smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C(C)(C)C(=O)N[C@H]1CC12CC2 335160269 533482875 /nfs/dbraw/zinc/48/28/75/533482875.db2.gz VUDUQQZQLIDWME-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN C=C(C)CN(C)C(=O)c1coc(C)c1 335783229 533493625 /nfs/dbraw/zinc/49/36/25/533493625.db2.gz FOASPJVLKHFHON-UHFFFAOYSA-N 0 0 193.246 2.236 10 30 AEEERN C=C(C)CSC1CCOCC1 306360949 533528861 /nfs/dbraw/zinc/52/88/61/533528861.db2.gz NTDUNDRINVNZGW-UHFFFAOYSA-N 0 0 172.293 2.475 10 30 AEEERN C=C(C)CS[C@@H]1CCO[C@@H]1C 307258695 533530307 /nfs/dbraw/zinc/53/03/07/533530307.db2.gz CSXWTWYCFZXTOX-RKDXNWHRSA-N 0 0 172.293 2.473 10 30 AEEERN C=C(C)CS[C@H]1CCO[C@H]1C 307258694 533530637 /nfs/dbraw/zinc/53/06/37/533530637.db2.gz CSXWTWYCFZXTOX-IUCAKERBSA-N 0 0 172.293 2.473 10 30 AEEERN C=C(CC)CNC(=O)N1[C@H](C)C[C@H]1C 335580655 534408496 /nfs/dbraw/zinc/40/84/96/534408496.db2.gz PRQKBVXYSPRBHY-NXEZZACHSA-N 0 0 196.294 2.145 10 30 AEEERN C=C1CCN(C(=O)C2(C)CCC2)CC1 336415648 534452685 /nfs/dbraw/zinc/45/26/85/534452685.db2.gz FZEHBBNJCAKDCG-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C1CCN(C(=O)[C@H]2CC2(C)C)CC1 334365458 534455402 /nfs/dbraw/zinc/45/54/02/534455402.db2.gz HUDNBQUREOKVTQ-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C=CC(C)(C)C(=O)N(C)C1CCC1 336217116 534493367 /nfs/dbraw/zinc/49/33/67/534493367.db2.gz FBGYEOQZGVVQBG-UHFFFAOYSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC(C)(C)C(=O)N1CC(CC)C1 335089393 534493848 /nfs/dbraw/zinc/49/38/48/534493848.db2.gz CEELYQXVPCFMBZ-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]1C 336305867 534496781 /nfs/dbraw/zinc/49/67/81/534496781.db2.gz LQNSIFLLMTZONR-DTWKUNHWSA-N 0 0 181.279 2.065 10 30 AEEERN C=CC(C)(C)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 335502976 534501266 /nfs/dbraw/zinc/50/12/66/534501266.db2.gz NZTMQJVUBADLPW-ILWJIGKKSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H]1C 334650746 534502789 /nfs/dbraw/zinc/50/27/89/534502789.db2.gz IVLVNMJOHMIRNG-IUCAKERBSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCC(F)(F)c1nc(C)no1 306758258 534579323 /nfs/dbraw/zinc/57/93/23/534579323.db2.gz UEDODOBEJQISNI-UHFFFAOYSA-N 0 0 174.150 2.046 10 30 AEEERN C=C[C@H](C)NC(=O)c1sccc1F 307466356 534665789 /nfs/dbraw/zinc/66/57/89/534665789.db2.gz KAPJXLCQKGHRLU-LURJTMIESA-N 0 0 199.250 2.192 10 30 AEEERN C=C[C@H](C)Nc1nc(C)cc(C)n1 130633802 534670575 /nfs/dbraw/zinc/67/05/75/534670575.db2.gz HAKRTUCHTOPWFD-ZETCQYMHSA-N 0 0 177.251 2.080 10 30 AEEERN C=C[C@H](C)Nc1ncc(C)c(C)n1 306382314 534670979 /nfs/dbraw/zinc/67/09/79/534670979.db2.gz AWTFWYKIKMXLOG-QMMMGPOBSA-N 0 0 177.251 2.080 10 30 AEEERN C=C[C@H](C)c1noc(C(C)C)n1 307411313 534673159 /nfs/dbraw/zinc/67/31/59/534673159.db2.gz FULFODMIRCZFLS-ZETCQYMHSA-N 0 0 166.224 2.483 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)C1=CCC1 335681669 534688397 /nfs/dbraw/zinc/68/83/97/534688397.db2.gz RMGNQPLYIQGBTE-NSHDSACASA-N 0 0 191.274 2.274 10 30 AEEERN C=CCN(C)c1ncnc2ccccc12 335333169 534818314 /nfs/dbraw/zinc/81/83/14/534818314.db2.gz WNFHFXLSPANAKL-UHFFFAOYSA-N 0 0 199.257 2.252 10 30 AEEERN C=CCN(C)c1c(C#N)cccc1C#N 336145129 534818607 /nfs/dbraw/zinc/81/86/07/534818607.db2.gz DAMTTXCZAXPHQB-UHFFFAOYSA-N 0 0 197.241 2.052 10 30 AEEERN C=CCNC(=O)N1C[C@@H](C)CC[C@@H]1C 336465876 534861223 /nfs/dbraw/zinc/86/12/23/534861223.db2.gz JQEBTMUEOCVZLC-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN CCN1CC/C(=N/O)c2ccccc21 39253314 535443247 /nfs/dbraw/zinc/44/32/47/535443247.db2.gz CVGNITBHXPXEOO-BENRWUELSA-N 0 0 190.246 2.095 10 30 AEEERN CCOC(=O)C#CC1CCCCC1 1765589 537776181 /nfs/dbraw/zinc/77/61/81/537776181.db2.gz QNOIVAQBXFLXGN-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN C=C(C)c1cncc([N+](=O)[O-])c1C 675070020 537780849 /nfs/dbraw/zinc/78/08/49/537780849.db2.gz OJSGIJHEXKJQHB-UHFFFAOYSA-N 0 0 178.191 2.331 10 30 AEEERN C=C(C)c1cncc(N)c1C 675070090 537780981 /nfs/dbraw/zinc/78/09/81/537780981.db2.gz PJNRIQLPMGNYEV-UHFFFAOYSA-N 0 0 148.209 2.005 10 30 AEEERN C=C(C)c1cncc(OC)c1 675069665 537782277 /nfs/dbraw/zinc/78/22/77/537782277.db2.gz KLGFUFZTQQEVSQ-UHFFFAOYSA-N 0 0 149.193 2.123 10 30 AEEERN CCCCCCCCC[S@](N)=O 675071633 537786932 /nfs/dbraw/zinc/78/69/32/537786932.db2.gz OLNBJTJAENSPER-GFCCVEGCSA-N 0 0 191.340 2.359 10 30 AEEERN C=C(C)c1cccc2nc(N)ncc12 675070458 537785489 /nfs/dbraw/zinc/78/54/89/537785489.db2.gz ZHNDGAOHGFWMQE-UHFFFAOYSA-N 0 0 185.230 2.245 10 30 AEEERN CCCCCCCCC[S@@](N)=O 675071634 537787868 /nfs/dbraw/zinc/78/78/68/537787868.db2.gz OLNBJTJAENSPER-LBPRGKRZSA-N 0 0 191.340 2.359 10 30 AEEERN Cc1cc(Cl)cn2c(C#N)cnc12 675073282 537788872 /nfs/dbraw/zinc/78/88/72/537788872.db2.gz MCBMIVLPTOVFFR-UHFFFAOYSA-N 0 0 191.621 2.168 10 30 AEEERN N#Cc1cnc2cc(C3CC3)ccn12 675073038 537789170 /nfs/dbraw/zinc/78/91/70/537789170.db2.gz KCGXKESQKMAMLW-UHFFFAOYSA-N 0 0 183.214 2.083 10 30 AEEERN Cc1ccc(C#Cc2cn[nH]c2)cc1 675076061 537794318 /nfs/dbraw/zinc/79/43/18/537794318.db2.gz JTQYVGPQPJWDPV-UHFFFAOYSA-N 0 0 182.226 2.118 10 30 AEEERN [N-]=[N+]=Nc1ccnc(C(F)(F)F)n1 675075963 537794625 /nfs/dbraw/zinc/79/46/25/537794625.db2.gz XUJSQYGVXNWVNO-UHFFFAOYSA-N 0 0 189.100 2.437 10 30 AEEERN CC1CCC2(CC1)OC=CC2=O 675078081 537798527 /nfs/dbraw/zinc/79/85/27/537798527.db2.gz AQTXAPPBEYAJGN-UHFFFAOYSA-N 0 0 166.220 2.048 10 30 AEEERN CC1(C)CCC[C@]2(C1)OC=CC2=O 675078237 537801453 /nfs/dbraw/zinc/80/14/53/537801453.db2.gz CUTSRLGJDYMTKJ-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN CC1(C)CCC[C@@]2(C1)OC=CC2=O 675078238 537801908 /nfs/dbraw/zinc/80/19/08/537801908.db2.gz CUTSRLGJDYMTKJ-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN Cc1ccc(C#CC(F)(F)F)cc1N 675079829 537803008 /nfs/dbraw/zinc/80/30/08/537803008.db2.gz YFVQYZPMONXVBK-UHFFFAOYSA-N 0 0 199.175 2.491 10 30 AEEERN O=C1C=COC12CCCCCC2 675079958 537803238 /nfs/dbraw/zinc/80/32/38/537803238.db2.gz ZCUNBVANVONKSC-UHFFFAOYSA-N 0 0 166.220 2.192 10 30 AEEERN Cc1ccc(N)cc1C#CC(F)(F)F 675079571 537803567 /nfs/dbraw/zinc/80/35/67/537803567.db2.gz UPHVEOPLRPXXRG-UHFFFAOYSA-N 0 0 199.175 2.491 10 30 AEEERN C[C@@H]1CC[C@@]2(C[C@H]1C)OC=CC2=O 675079559 537804544 /nfs/dbraw/zinc/80/45/44/537804544.db2.gz UJAUSSBGXMEYMT-KKZNHRDASA-N 0 0 180.247 2.294 10 30 AEEERN C[C@@H]1CC[C@]2(C[C@H]1C)OC=CC2=O 675079558 537804600 /nfs/dbraw/zinc/80/46/00/537804600.db2.gz UJAUSSBGXMEYMT-FXPVBKGRSA-N 0 0 180.247 2.294 10 30 AEEERN C[C@H]1C[C@H](C)CC2(C1)OC=CC2=O 675079971 537805342 /nfs/dbraw/zinc/80/53/42/537805342.db2.gz ZKFRTLHWTBURDU-IUCAKERBSA-N 0 0 180.247 2.294 10 30 AEEERN C[C@@H]1C[C@@H](C)CC2(C1)OC=CC2=O 675079981 537805501 /nfs/dbraw/zinc/80/55/01/537805501.db2.gz ZKFRTLHWTBURDU-RKDXNWHRSA-N 0 0 180.247 2.294 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@]2(C1)OC=CC2=O 675079968 537806181 /nfs/dbraw/zinc/80/61/81/537806181.db2.gz ZKFRTLHWTBURDU-DOFRTFSJSA-N 0 0 180.247 2.294 10 30 AEEERN C[C@H]1C[C@]2(CC[C@H]1C)OC=CC2=O 675079562 537806247 /nfs/dbraw/zinc/80/62/47/537806247.db2.gz UJAUSSBGXMEYMT-YWVKMMECSA-N 0 0 180.247 2.294 10 30 AEEERN C[C@H]1C[C@@]2(CC[C@H]1C)OC=CC2=O 675079560 537806386 /nfs/dbraw/zinc/80/63/86/537806386.db2.gz UJAUSSBGXMEYMT-WCABBAIRSA-N 0 0 180.247 2.294 10 30 AEEERN C#Cc1ccccc1NC(=O)CCC 675079860 537806399 /nfs/dbraw/zinc/80/63/99/537806399.db2.gz YKLAGWCPQGAGPG-UHFFFAOYSA-N 0 0 187.242 2.407 10 30 AEEERN C[C@@H]1CC[C@]2(C1)OCC[C@@H]2C#N 675080564 537807503 /nfs/dbraw/zinc/80/75/03/537807503.db2.gz QYPNFXNRROJPHE-OPRDCNLKSA-N 0 0 165.236 2.105 10 30 AEEERN CC1CCC2(CC1)OCC[C@@H]2C#N 675080796 537807898 /nfs/dbraw/zinc/80/78/98/537807898.db2.gz VUAFPMNWXXXCAY-HSOILSAZSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CC[C@]2(C1)OCC[C@H]2C#N 675080561 537808001 /nfs/dbraw/zinc/80/80/01/537808001.db2.gz QYPNFXNRROJPHE-KXUCPTDWSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@]2(C1)OCC[C@@H]2C#N 675081027 537808150 /nfs/dbraw/zinc/80/81/50/537808150.db2.gz ZVPOYPJIXSVIMG-GMTAPVOTSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CC[C@@]2(C1)OCC[C@@H]2C#N 675080559 537808597 /nfs/dbraw/zinc/80/85/97/537808597.db2.gz QYPNFXNRROJPHE-BBBLOLIVSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@@]2(C1)OCC[C@@H]2C#N 675081030 537808732 /nfs/dbraw/zinc/80/87/32/537808732.db2.gz ZVPOYPJIXSVIMG-MXWKQRLJSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCC[C@@]2(C1)OCC[C@H]2C#N 675081033 537808909 /nfs/dbraw/zinc/80/89/09/537808909.db2.gz ZVPOYPJIXSVIMG-VWYCJHECSA-N 0 0 179.263 2.495 10 30 AEEERN CC1CCC2(CC1)OCC[C@H]2C#N 675080797 537809582 /nfs/dbraw/zinc/80/95/82/537809582.db2.gz VUAFPMNWXXXCAY-YVNMAJEFSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CC[C@@]2(C1)OCC[C@H]2C#N 675080565 537809722 /nfs/dbraw/zinc/80/97/22/537809722.db2.gz QYPNFXNRROJPHE-UTLUCORTSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@]2(C1)OCC[C@H]2C#N 675081032 537809743 /nfs/dbraw/zinc/80/97/43/537809743.db2.gz ZVPOYPJIXSVIMG-OUAUKWLOSA-N 0 0 179.263 2.495 10 30 AEEERN O/N=C1\CCCC2(CC2)C1 685939178 537811966 /nfs/dbraw/zinc/81/19/66/537811966.db2.gz CUPAAIJMJNQFAJ-VQHVLOKHSA-N 0 0 139.198 2.171 10 30 AEEERN CC1(C)CCC[C@@H]([C@H](O)CC#N)C1 685946404 537815270 /nfs/dbraw/zinc/81/52/70/537815270.db2.gz JUHZNFVSFJQMSX-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN CC1(C)CCC[C@H]([C@@H](O)CC#N)C1 685946405 537815690 /nfs/dbraw/zinc/81/56/90/537815690.db2.gz JUHZNFVSFJQMSX-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN CC1(C)CCC[C@H]([C@H](O)CC#N)C1 685946406 537817000 /nfs/dbraw/zinc/81/70/00/537817000.db2.gz JUHZNFVSFJQMSX-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC1(C)CCC[C@@H]([C@@H](O)CC#N)C1 685946407 537817294 /nfs/dbraw/zinc/81/72/94/537817294.db2.gz JUHZNFVSFJQMSX-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@]1(CCC#N)CC1(F)F 685948404 537821732 /nfs/dbraw/zinc/82/17/32/537821732.db2.gz MNWFNUAUQUNQDR-ZCFIWIBFSA-N 0 0 145.152 2.335 10 30 AEEERN Cn1ccc(-c2ccc(CC#N)cc2)n1 685947156 537820091 /nfs/dbraw/zinc/82/00/91/537820091.db2.gz RWWVPJPGRODCQH-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN C[C@]1(CCC#N)CC1(F)F 685948403 537823228 /nfs/dbraw/zinc/82/32/28/537823228.db2.gz MNWFNUAUQUNQDR-LURJTMIESA-N 0 0 145.152 2.335 10 30 AEEERN CC1(CCCC#N)CC1 685947759 537824130 /nfs/dbraw/zinc/82/41/30/537824130.db2.gz PKUWTHBNVHXCST-UHFFFAOYSA-N 0 0 123.199 2.480 10 30 AEEERN COc1cc2[nH]ccc2cc1CC#N 685950658 537828217 /nfs/dbraw/zinc/82/82/17/537828217.db2.gz DCKVSSXFZXVLNQ-UHFFFAOYSA-N 0 0 186.214 2.243 10 30 AEEERN N#CCc1cc(-c2ccoc2)ccn1 685950213 537829454 /nfs/dbraw/zinc/82/94/54/537829454.db2.gz KUYXKODGDNAOKY-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN CCCC(C)(C)C#CC(=O)OCC 685952948 537834554 /nfs/dbraw/zinc/83/45/54/537834554.db2.gz HSVKRPXGRGLXCK-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN CCOC(=O)C#CC1C(C)(C)C1(C)C 685952943 537836246 /nfs/dbraw/zinc/83/62/46/537836246.db2.gz HRFXGLSHSVQKEK-UHFFFAOYSA-N 0 0 194.274 2.235 10 30 AEEERN CCOC(=O)C#C[C@H]1CCCC1(C)C 685952909 537836432 /nfs/dbraw/zinc/83/64/32/537836432.db2.gz GLNBZVRNUWZRJJ-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOc1cccc(OC)c1 39280508 537836446 /nfs/dbraw/zinc/83/64/46/537836446.db2.gz DTCJFJYOGZSGCA-UHFFFAOYSA-N 0 0 176.215 2.097 10 30 AEEERN CCOC(=O)C#C[C@@H]1CCCC1(C)C 685952908 537837112 /nfs/dbraw/zinc/83/71/12/537837112.db2.gz GLNBZVRNUWZRJJ-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN CC(C)CC#CC(=O)OC(C)(C)C 685953493 537838682 /nfs/dbraw/zinc/83/86/82/537838682.db2.gz NEIFSJWDHXNFJL-UHFFFAOYSA-N 0 0 182.263 2.378 10 30 AEEERN CCCC[C@@H](C)C#CC(=O)OCC 685953462 537838869 /nfs/dbraw/zinc/83/88/69/537838869.db2.gz MROWHXVEEQFBAQ-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN C[C@H](C#CC(=O)OC(C)(C)C)C1CC1 685953253 537838969 /nfs/dbraw/zinc/83/89/69/537838969.db2.gz JXMCYWKAUHKZHH-SECBINFHSA-N 0 0 194.274 2.378 10 30 AEEERN CCOC(=O)C#C[C@H]1CCC[C@H](C)C1 685953271 537839306 /nfs/dbraw/zinc/83/93/06/537839306.db2.gz KDSURYJPULZHPC-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN CC(C)(C)OC(=O)C#C[C@@H]1CC12CC2 685953657 537839348 /nfs/dbraw/zinc/83/93/48/537839348.db2.gz ODGRNLUOEDCHRD-SECBINFHSA-N 0 0 192.258 2.132 10 30 AEEERN CCOC(=O)C#C[C@@H]1CCC[C@H](C)C1 685953270 537839379 /nfs/dbraw/zinc/83/93/79/537839379.db2.gz KDSURYJPULZHPC-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN CCOC(=O)C#C[C@@H]1CCC[C@@H](C)C1 685953268 537839495 /nfs/dbraw/zinc/83/94/95/537839495.db2.gz KDSURYJPULZHPC-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN CC[C@H](C)C#CC(=O)OC(C)(C)C 685953743 537839850 /nfs/dbraw/zinc/83/98/50/537839850.db2.gz PLJIZNHMQAKPLX-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN CC(C)(C)OC(=O)C#C[C@H]1CC12CC2 685953664 537839944 /nfs/dbraw/zinc/83/99/44/537839944.db2.gz ODGRNLUOEDCHRD-VIFPVBQESA-N 0 0 192.258 2.132 10 30 AEEERN CCCC[C@H](C)C#CC(=O)OCC 685953461 537840113 /nfs/dbraw/zinc/84/01/13/537840113.db2.gz MROWHXVEEQFBAQ-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN CCOC(=O)C#C[C@@H]1CCCC12CC2 685953345 537840337 /nfs/dbraw/zinc/84/03/37/537840337.db2.gz LOFFJAQGQJDFGS-JTQLQIEISA-N 0 0 192.258 2.133 10 30 AEEERN CC[C@@H](C)C#CC(=O)OC(C)(C)C 685953742 537840702 /nfs/dbraw/zinc/84/07/02/537840702.db2.gz PLJIZNHMQAKPLX-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN CCOC(=O)C#C[C@H]1CCC[C@@H](C)C1 685953266 537840925 /nfs/dbraw/zinc/84/09/25/537840925.db2.gz KDSURYJPULZHPC-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@@H](C#CC(=O)OC(C)(C)C)C1CC1 685953255 537841432 /nfs/dbraw/zinc/84/14/32/537841432.db2.gz JXMCYWKAUHKZHH-VIFPVBQESA-N 0 0 194.274 2.378 10 30 AEEERN CCOC(=O)C#C[C@H]1CCCC12CC2 685953347 537842350 /nfs/dbraw/zinc/84/23/50/537842350.db2.gz LOFFJAQGQJDFGS-SNVBAGLBSA-N 0 0 192.258 2.133 10 30 AEEERN COC(=O)C#C[C@H](C)c1cccs1 685954295 537843225 /nfs/dbraw/zinc/84/32/25/537843225.db2.gz LZWBBYVDGGKYEY-QMMMGPOBSA-N 0 0 194.255 2.028 10 30 AEEERN CCOC(=O)C#C[C@H](C)[C@H](C)CC 685954049 537843299 /nfs/dbraw/zinc/84/32/99/537843299.db2.gz ROUGVRQOEQSSPH-ZJUUUORDSA-N 0 0 182.263 2.235 10 30 AEEERN COC(=O)C#C[C@@H](C)c1cccs1 685954293 537843779 /nfs/dbraw/zinc/84/37/79/537843779.db2.gz LZWBBYVDGGKYEY-MRVPVSSYSA-N 0 0 194.255 2.028 10 30 AEEERN C#C[C@@H](C)c1ccco1 685954210 537843925 /nfs/dbraw/zinc/84/39/25/537843925.db2.gz HIRKRXIYIRKVMQ-SSDOTTSWSA-N 0 0 120.151 2.016 10 30 AEEERN CCOC(=O)C#C[C@@H](C)[C@H](C)CC 685954043 537843960 /nfs/dbraw/zinc/84/39/60/537843960.db2.gz ROUGVRQOEQSSPH-NXEZZACHSA-N 0 0 182.263 2.235 10 30 AEEERN CCOC(=O)C#CC12CCC(CC1)C2 685954414 537844182 /nfs/dbraw/zinc/84/41/82/537844182.db2.gz WRBDDEMUXVVHPS-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C#C[C@H](C)c1ccco1 685954211 537844510 /nfs/dbraw/zinc/84/45/10/537844510.db2.gz HIRKRXIYIRKVMQ-ZETCQYMHSA-N 0 0 120.151 2.016 10 30 AEEERN CCC[C@H](C#CC(=O)OC)C(C)C 685954204 537845439 /nfs/dbraw/zinc/84/54/39/537845439.db2.gz GYAZHTFCCCYJHV-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN CCC[C@@H](C#CC(=O)OC)C(C)C 685954203 537845725 /nfs/dbraw/zinc/84/57/25/537845725.db2.gz GYAZHTFCCCYJHV-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN C#C[C@@H]1CCCC1(C)C 685953991 537845893 /nfs/dbraw/zinc/84/58/93/537845893.db2.gz CXUITQGNBAWYLB-MRVPVSSYSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@H]1CCCC1(C)C 685954000 537846044 /nfs/dbraw/zinc/84/60/44/537846044.db2.gz CXUITQGNBAWYLB-QMMMGPOBSA-N 0 0 122.211 2.446 10 30 AEEERN CCOC(=O)C#C[C@@H](C)[C@@H](C)CC 685954048 537846217 /nfs/dbraw/zinc/84/62/17/537846217.db2.gz ROUGVRQOEQSSPH-VHSXEESVSA-N 0 0 182.263 2.235 10 30 AEEERN CCOC(=O)C#C[C@H](C)[C@@H](C)CC 685954045 537846433 /nfs/dbraw/zinc/84/64/33/537846433.db2.gz ROUGVRQOEQSSPH-UWVGGRQHSA-N 0 0 182.263 2.235 10 30 AEEERN CCOC(=O)C#CC(C)(C)C(C)C 685954411 537846460 /nfs/dbraw/zinc/84/64/60/537846460.db2.gz WQQZNGXIFQXPTD-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN C#C[C@@H](C)C1CCC1 685954938 537847084 /nfs/dbraw/zinc/84/70/84/537847084.db2.gz ZQLDQYYSFFABBI-SSDOTTSWSA-N 0 0 108.184 2.056 10 30 AEEERN CCOC(=O)C#C[C@H](C)C1CCCC1 685954714 537847633 /nfs/dbraw/zinc/84/76/33/537847633.db2.gz ZKJRPCNTQCMGHL-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN CC(C)(C)OC(=O)C#CC1CCC1 685954710 537847641 /nfs/dbraw/zinc/84/76/41/537847641.db2.gz ZIASPDMEKZLANP-UHFFFAOYSA-N 0 0 180.247 2.132 10 30 AEEERN CCOC(=O)C#C[C@@H](C)C1CCCC1 685954715 537848454 /nfs/dbraw/zinc/84/84/54/537848454.db2.gz ZKJRPCNTQCMGHL-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@H]1CCC(F)(F)C1 685954788 537848615 /nfs/dbraw/zinc/84/86/15/537848615.db2.gz WNKMZJLDOMTVLW-LURJTMIESA-N 0 0 130.137 2.055 10 30 AEEERN C#C[C@@H]1CCC(F)(F)C1 685954795 537849090 /nfs/dbraw/zinc/84/90/90/537849090.db2.gz WNKMZJLDOMTVLW-ZCFIWIBFSA-N 0 0 130.137 2.055 10 30 AEEERN C#C[C@H](C)C1CCC1 685954946 537849941 /nfs/dbraw/zinc/84/99/41/537849941.db2.gz ZQLDQYYSFFABBI-ZETCQYMHSA-N 0 0 108.184 2.056 10 30 AEEERN C#C[C@H](CC)CC(F)F 685955905 537850543 /nfs/dbraw/zinc/85/05/43/537850543.db2.gz SPWNFRRESSQYTL-ZCFIWIBFSA-N 0 0 132.153 2.301 10 30 AEEERN C#C[C@@H]1CCC[C@H]2C[C@H]21 685955910 537851403 /nfs/dbraw/zinc/85/14/03/537851403.db2.gz SRLXZPYCFKLMHT-VGMNWLOBSA-N 0 0 120.195 2.056 10 30 AEEERN C#C[C@@H](CC)CC(F)F 685955904 537851586 /nfs/dbraw/zinc/85/15/86/537851586.db2.gz SPWNFRRESSQYTL-LURJTMIESA-N 0 0 132.153 2.301 10 30 AEEERN C#C[C@H]1CCCC12CC2 685955958 537851657 /nfs/dbraw/zinc/85/16/57/537851657.db2.gz VPTQSNWTONGFCL-QMMMGPOBSA-N 0 0 120.195 2.200 10 30 AEEERN C#C[C@@H](C)C1CCCC1 685955500 537851955 /nfs/dbraw/zinc/85/19/55/537851955.db2.gz FWUYSZWSQDPOFF-MRVPVSSYSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@@H]1CCC[C@@H]2C[C@H]12 685955909 537852190 /nfs/dbraw/zinc/85/21/90/537852190.db2.gz SRLXZPYCFKLMHT-IWSPIJDZSA-N 0 0 120.195 2.056 10 30 AEEERN C#C[C@H](C)C1CCCC1 685955501 537852285 /nfs/dbraw/zinc/85/22/85/537852285.db2.gz FWUYSZWSQDPOFF-QMMMGPOBSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@@H]1CCCC12CC2 685955957 537852623 /nfs/dbraw/zinc/85/26/23/537852623.db2.gz VPTQSNWTONGFCL-MRVPVSSYSA-N 0 0 120.195 2.200 10 30 AEEERN C#C[C@@H]1CC[C@@H]2C[C@@H]2C1 685956146 537854181 /nfs/dbraw/zinc/85/41/81/537854181.db2.gz YSUAJMKKPPRFTL-HLTSFMKQSA-N 0 0 120.195 2.056 10 30 AEEERN C#C[C@@H]1CC[C@H]2C[C@H]2C1 685956147 537854374 /nfs/dbraw/zinc/85/43/74/537854374.db2.gz YSUAJMKKPPRFTL-HRDYMLBCSA-N 0 0 120.195 2.056 10 30 AEEERN Cc1ccc2nc(C#N)oc2c1 45820523 537856493 /nfs/dbraw/zinc/85/64/93/537856493.db2.gz YELVSUFJOUNVNH-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN CC(C)(C)c1ncc(CC#N)o1 74340324 537864603 /nfs/dbraw/zinc/86/46/03/537864603.db2.gz HDVNIQFNEJAHOH-UHFFFAOYSA-N 0 0 164.208 2.038 10 30 AEEERN C=CCn1cc(-c2ccccc2N)cn1 70994373 537864941 /nfs/dbraw/zinc/86/49/41/537864941.db2.gz ZPXWWUWZVPMNFI-UHFFFAOYSA-N 0 0 199.257 2.318 10 30 AEEERN C=CCn1cc(-c2cccc(N)c2)cn1 70994336 537866242 /nfs/dbraw/zinc/86/62/42/537866242.db2.gz NFOWGOOXXNCXIA-UHFFFAOYSA-N 0 0 199.257 2.318 10 30 AEEERN C=CCn1cc(-c2ccc(N)cc2)cn1 70959678 537867674 /nfs/dbraw/zinc/86/76/74/537867674.db2.gz PVHBMJJZMLTJPU-UHFFFAOYSA-N 0 0 199.257 2.318 10 30 AEEERN C#Cc1nc2c(C)ccc(C)c2[nH]1 685964057 537872838 /nfs/dbraw/zinc/87/28/38/537872838.db2.gz SBUIQIOYVLTTKZ-UHFFFAOYSA-N 0 0 170.215 2.161 10 30 AEEERN C#Cc1nc2cc(C)c(C)cc2[nH]1 685963751 537873043 /nfs/dbraw/zinc/87/30/43/537873043.db2.gz DFOHAGYIMPMLTJ-UHFFFAOYSA-N 0 0 170.215 2.161 10 30 AEEERN C=C(OCC)C1=CCCCC1=O 685965058 537873460 /nfs/dbraw/zinc/87/34/60/537873460.db2.gz MOWVJUIJLSXAKW-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C#Cc1nc2ccccc2n1C1CC1 685964005 537874027 /nfs/dbraw/zinc/87/40/27/537874027.db2.gz OFEMXXOQGIYUTF-UHFFFAOYSA-N 0 0 182.226 2.353 10 30 AEEERN C=C(OCC)C1CCC(=O)CC1 685964679 537874060 /nfs/dbraw/zinc/87/40/60/537874060.db2.gz BNTWVXFHHBMJMO-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C#Cc1nc2ccc(F)cc2n1CC 685964048 537874193 /nfs/dbraw/zinc/87/41/93/537874193.db2.gz RQEDBHIQFOFFOQ-UHFFFAOYSA-N 0 0 188.205 2.177 10 30 AEEERN C#Cc1nc2ccc(Cl)cc2n1C 685964099 537874530 /nfs/dbraw/zinc/87/45/30/537874530.db2.gz VXUOJACYTVWVCU-UHFFFAOYSA-N 0 0 190.633 2.208 10 30 AEEERN C#Cc1nc2c(C)c(C)ccc2[nH]1 685964068 537874735 /nfs/dbraw/zinc/87/47/35/537874735.db2.gz TURDNAQIFMYXJS-UHFFFAOYSA-N 0 0 170.215 2.161 10 30 AEEERN C#Cc1nc2ccccc2n1CC 685963743 537875186 /nfs/dbraw/zinc/87/51/86/537875186.db2.gz DFCJFKPPDJUMCX-UHFFFAOYSA-N 0 0 170.215 2.038 10 30 AEEERN C=C(OCC)c1ccc(O)c(C#N)c1 685964951 537875236 /nfs/dbraw/zinc/87/52/36/537875236.db2.gz IBFRLIYKYVTGLN-UHFFFAOYSA-N 0 0 189.214 2.271 10 30 AEEERN C#Cc1nc2ccccc2n1CCC 685963950 537875358 /nfs/dbraw/zinc/87/53/58/537875358.db2.gz JIEYFVMXKKXVEN-UHFFFAOYSA-N 0 0 184.242 2.428 10 30 AEEERN C=CCCn1cc2ccc(N)cc2n1 685965769 537875789 /nfs/dbraw/zinc/87/57/89/537875789.db2.gz SCFDCALXGUXACY-UHFFFAOYSA-N 0 0 187.246 2.195 10 30 AEEERN C#C[C@@H](C)CCCC 81120000 537875911 /nfs/dbraw/zinc/87/59/11/537875911.db2.gz ATKNUJMYQIQYAU-MRVPVSSYSA-N 0 0 110.200 2.446 10 30 AEEERN C=C(C)Cn1cc2ccc(N)cc2n1 685965784 537876050 /nfs/dbraw/zinc/87/60/50/537876050.db2.gz SVZNDQURSKSSFE-UHFFFAOYSA-N 0 0 187.246 2.195 10 30 AEEERN CC#CCOc1ccc(C)cc1 79205133 537876184 /nfs/dbraw/zinc/87/61/84/537876184.db2.gz DFQOAUBKXBXLHG-UHFFFAOYSA-N 0 0 160.216 2.397 10 30 AEEERN C#C[C@H](C)CCCC 81119995 537876416 /nfs/dbraw/zinc/87/64/16/537876416.db2.gz ATKNUJMYQIQYAU-QMMMGPOBSA-N 0 0 110.200 2.446 10 30 AEEERN C#CC(C)(C)C1CC1 79326580 537876818 /nfs/dbraw/zinc/87/68/18/537876818.db2.gz RIZYFRDWKXQNFS-UHFFFAOYSA-N 0 0 108.184 2.056 10 30 AEEERN C#CC(C)(C)C(C)C 82220239 537877247 /nfs/dbraw/zinc/87/72/47/537877247.db2.gz CBPKEZGAMKAZAI-UHFFFAOYSA-N 0 0 110.200 2.302 10 30 AEEERN C=CCCn1ncc2ccc(N)cc21 711301442 537879235 /nfs/dbraw/zinc/87/92/35/537879235.db2.gz XCYOEKVNQBIJGJ-UHFFFAOYSA-N 0 0 187.246 2.195 10 30 AEEERN C=CCCn1nc(CC)c(N)c1CC 711298732 537880236 /nfs/dbraw/zinc/88/02/36/537880236.db2.gz LQISIIBAIWAWHE-UHFFFAOYSA-N 0 0 193.294 2.166 10 30 AEEERN C=CCCCn1cc(Cl)c(N)n1 711329607 537880313 /nfs/dbraw/zinc/88/03/13/537880313.db2.gz RFGCQVBAZODFJP-UHFFFAOYSA-N 0 0 185.658 2.085 10 30 AEEERN C=C(C)Cn1nc(CC)c(N)c1CC 711255672 537881428 /nfs/dbraw/zinc/88/14/28/537881428.db2.gz LWOCTMSBTIOJOB-UHFFFAOYSA-N 0 0 193.294 2.166 10 30 AEEERN C=CC[C@H](C)n1cc(Cl)c(N)n1 715024672 537883175 /nfs/dbraw/zinc/88/31/75/537883175.db2.gz UJXPAINFHARSNF-LURJTMIESA-N 0 0 185.658 2.256 10 30 AEEERN C=CC[C@@H](C)n1cc(Cl)c(N)n1 715024676 537884907 /nfs/dbraw/zinc/88/49/07/537884907.db2.gz UJXPAINFHARSNF-ZCFIWIBFSA-N 0 0 185.658 2.256 10 30 AEEERN CCO/C=C/C(=O)c1ccsc1 82556888 537885575 /nfs/dbraw/zinc/88/55/75/537885575.db2.gz QDZPIAMUHSXYLI-HWKANZROSA-N 0 0 182.244 2.481 10 30 AEEERN CCO/C=C/C(=O)C1CCCC1 82556904 537886823 /nfs/dbraw/zinc/88/68/23/537886823.db2.gz OZGFQYLRJHEZMB-BQYQJAHWSA-N 0 0 168.236 2.296 10 30 AEEERN CCO/C=C/C(=O)c1ccco1 82556766 537886928 /nfs/dbraw/zinc/88/69/28/537886928.db2.gz SRPPAHLMHCYPPS-FNORWQNLSA-N 0 0 166.176 2.013 10 30 AEEERN C[C@@H]1C[C@@H](C)CC2(CO2)C1 82832342 537888602 /nfs/dbraw/zinc/88/86/02/537888602.db2.gz LOHMVMWJFRVZFY-HTQZYQBOSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CC(=O)/C(=C/N(C)C)[C@@H](C)C1 82830297 537888698 /nfs/dbraw/zinc/88/86/98/537888698.db2.gz QYLRTRSGOOBNCE-FANYHQJGSA-N 0 0 181.279 2.067 10 30 AEEERN C[C@H]1C[C@@H](C)CC(=O)/C1=C/N(C)C 82830296 537889263 /nfs/dbraw/zinc/88/92/63/537889263.db2.gz QYLRTRSGOOBNCE-LIHZAOSCSA-N 0 0 181.279 2.067 10 30 AEEERN C[C@H]1C[C@H](C)CC2(CO2)C1 82832341 537890002 /nfs/dbraw/zinc/89/00/02/537890002.db2.gz LOHMVMWJFRVZFY-YUMQZZPRSA-N 0 0 140.226 2.212 10 30 AEEERN Cc1cccn2cc(CS)nc12 725244447 537890987 /nfs/dbraw/zinc/89/09/87/537890987.db2.gz PXVNIFQZXCQUBT-UHFFFAOYSA-N 0 0 178.260 2.073 10 30 AEEERN CC(C)c1nsc(CS)n1 725244730 537891142 /nfs/dbraw/zinc/89/11/42/537891142.db2.gz UOUBPIMJQYGNLQ-UHFFFAOYSA-N 0 0 174.294 2.091 10 30 AEEERN CC(C)(C)c1cnc(CS)o1 725244706 537891253 /nfs/dbraw/zinc/89/12/53/537891253.db2.gz SPDXGVVZAKBICA-UHFFFAOYSA-N 0 0 171.265 2.402 10 30 AEEERN C[C@H]1CC(=O)/C(=C/N(C)C)[C@H](C)C1 82830298 537891363 /nfs/dbraw/zinc/89/13/63/537891363.db2.gz QYLRTRSGOOBNCE-HYADTZSISA-N 0 0 181.279 2.067 10 30 AEEERN C/C=C1/CC2(CCC1=O)CC2 725244789 537892481 /nfs/dbraw/zinc/89/24/81/537892481.db2.gz BGANGFUYQWZUKM-WAPJZHGLSA-N 0 0 150.221 2.466 10 30 AEEERN C/C=C1\C(=O)CC12CCCC2 725244745 537893852 /nfs/dbraw/zinc/89/38/52/537893852.db2.gz ARQLUFCUZYKVKZ-KRXBUXKQSA-N 0 0 150.221 2.466 10 30 AEEERN Oc1ccc(Cl)c(CS)c1 725246323 537894911 /nfs/dbraw/zinc/89/49/11/537894911.db2.gz ULFJXCCADXMYTF-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN C/C=C1\CN(C(C)(C)C)CCC1=O 725246036 537895324 /nfs/dbraw/zinc/89/53/24/537895324.db2.gz QHPPZHMPYFPYAZ-WEVVVXLNSA-N 0 0 181.279 2.006 10 30 AEEERN N#Cc1sccc1-c1cn[nH]c1 725245963 537897251 /nfs/dbraw/zinc/89/72/51/537897251.db2.gz NGSJMNZBXOXCGO-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN CCCCCCCn1cnc(N)c1 725248866 537904839 /nfs/dbraw/zinc/90/48/39/537904839.db2.gz JJZNGGQIOZIVQF-UHFFFAOYSA-N 0 0 181.283 2.436 10 30 AEEERN CCCCCCCCn1ncc(N)n1 725250103 537911048 /nfs/dbraw/zinc/91/10/48/537911048.db2.gz VMBSTFBQBFMLSJ-UHFFFAOYSA-N 0 0 196.298 2.221 10 30 AEEERN C[C@@H]1Cc2onc(CS)c2[C@@H](C)O1 725253038 537913603 /nfs/dbraw/zinc/91/36/03/537913603.db2.gz SWEQFMQBVXMNNB-PHDIDXHHSA-N 0 0 199.275 2.127 10 30 AEEERN C[C@H]1C[C@H]1c1cc(CS)no1 725252468 537913616 /nfs/dbraw/zinc/91/36/16/537913616.db2.gz KPGXMNSZPBPAIM-CAHLUQPWSA-N 0 0 169.249 2.228 10 30 AEEERN C[C@@H]1C[C@@H]1c1cc(CS)no1 725252472 537913748 /nfs/dbraw/zinc/91/37/48/537913748.db2.gz KPGXMNSZPBPAIM-VDTYLAMSSA-N 0 0 169.249 2.228 10 30 AEEERN C[C@@H]1O[C@H](C)Cc2onc(CS)c21 725253039 537913861 /nfs/dbraw/zinc/91/38/61/537913861.db2.gz SWEQFMQBVXMNNB-RITPCOANSA-N 0 0 199.275 2.127 10 30 AEEERN CC1(c2cc(CS)no2)CC1 725252497 537914124 /nfs/dbraw/zinc/91/41/24/537914124.db2.gz LQSUMSADCNRHPZ-UHFFFAOYSA-N 0 0 169.249 2.156 10 30 AEEERN C[C@@H]1C[C@H]1c1cc(CS)no1 725252471 537914140 /nfs/dbraw/zinc/91/41/40/537914140.db2.gz KPGXMNSZPBPAIM-IYSWYEEDSA-N 0 0 169.249 2.228 10 30 AEEERN C[C@H]1C[C@@H]1c1cc(CS)no1 725252469 537914256 /nfs/dbraw/zinc/91/42/56/537914256.db2.gz KPGXMNSZPBPAIM-FSPLSTOPSA-N 0 0 169.249 2.228 10 30 AEEERN CC(C)c1cc(CS)no1 725252711 537914290 /nfs/dbraw/zinc/91/42/90/537914290.db2.gz OEIZLIYEAMXBRX-UHFFFAOYSA-N 0 0 157.238 2.228 10 30 AEEERN C[C@@H]1CCc2onc(CS)c2C1 725253059 537914345 /nfs/dbraw/zinc/91/43/45/537914345.db2.gz UVDSXFABADKPTB-ZCFIWIBFSA-N 0 0 183.276 2.229 10 30 AEEERN SCc1cc(-c2ccncc2)on1 725252594 537914437 /nfs/dbraw/zinc/91/44/37/537914437.db2.gz MGHAHIIZHFQYGS-UHFFFAOYSA-N 0 0 192.243 2.166 10 30 AEEERN SCc1cc(C2(Cl)CC2)on1 725253035 537914408 /nfs/dbraw/zinc/91/44/08/537914408.db2.gz SUQABJLTXVRBMS-UHFFFAOYSA-N 0 0 189.667 2.332 10 30 AEEERN SCc1cc(-c2cscn2)on1 725251983 537914564 /nfs/dbraw/zinc/91/45/64/537914564.db2.gz BZXBQCAVQXWBLF-UHFFFAOYSA-N 0 0 198.272 2.228 10 30 AEEERN SCc1noc2c1CCC21CC1 725252833 537914753 /nfs/dbraw/zinc/91/47/53/537914753.db2.gz QYFOYUNAFYXUFO-UHFFFAOYSA-N 0 0 181.260 2.082 10 30 AEEERN Cc1c(CS)noc1C1CC1 725253168 537914810 /nfs/dbraw/zinc/91/48/10/537914810.db2.gz XXXSBZOQWLMJBS-UHFFFAOYSA-N 0 0 169.249 2.290 10 30 AEEERN C[C@@H]1CCc2c(CS)noc21 725252708 537915022 /nfs/dbraw/zinc/91/50/22/537915022.db2.gz OEIOTXNSDJAGPB-RXMQYKEDSA-N 0 0 169.249 2.154 10 30 AEEERN SCc1noc2c1CCCCC2 725252795 537914997 /nfs/dbraw/zinc/91/49/97/537914997.db2.gz QLQARDAHPNXIML-UHFFFAOYSA-N 0 0 183.276 2.373 10 30 AEEERN C[C@H]1CCc2c(CS)noc21 725252710 537915042 /nfs/dbraw/zinc/91/50/42/537915042.db2.gz OEIOTXNSDJAGPB-YFKPBYRVSA-N 0 0 169.249 2.154 10 30 AEEERN SCc1cc(-c2ccoc2)on1 725252154 537915080 /nfs/dbraw/zinc/91/50/80/537915080.db2.gz GIQGGXVEIUNMLX-UHFFFAOYSA-N 0 0 181.216 2.364 10 30 AEEERN C[C@H]1Cc2onc(CS)c2[C@H](C)O1 725253040 537915122 /nfs/dbraw/zinc/91/51/22/537915122.db2.gz SWEQFMQBVXMNNB-WDSKDSINSA-N 0 0 199.275 2.127 10 30 AEEERN CC1(C)CCc2c(CS)noc21 725252433 537915372 /nfs/dbraw/zinc/91/53/72/537915372.db2.gz KGSHPFHXSNEJDY-UHFFFAOYSA-N 0 0 183.276 2.328 10 30 AEEERN SCc1cc(C2CCC2)on1 725253154 537915432 /nfs/dbraw/zinc/91/54/32/537915432.db2.gz XPLQRZLBXIUWJN-UHFFFAOYSA-N 0 0 169.249 2.372 10 30 AEEERN C[C@H]1CCc2onc(CS)c2C1 725253058 537915453 /nfs/dbraw/zinc/91/54/53/537915453.db2.gz UVDSXFABADKPTB-LURJTMIESA-N 0 0 183.276 2.229 10 30 AEEERN SCc1noc2c1CC1(CC2)CC1 725252128 537915603 /nfs/dbraw/zinc/91/56/03/537915603.db2.gz FHHKMSIOSFHNNM-UHFFFAOYSA-N 0 0 195.287 2.373 10 30 AEEERN SCc1cc(-c2nccs2)on1 725252135 537915700 /nfs/dbraw/zinc/91/57/00/537915700.db2.gz FNEAOEAUNYNCHX-UHFFFAOYSA-N 0 0 198.272 2.228 10 30 AEEERN SCc1cc(-c2ccccn2)on1 725252486 537916016 /nfs/dbraw/zinc/91/60/16/537916016.db2.gz LHYDOVRMJOMVTA-UHFFFAOYSA-N 0 0 192.243 2.166 10 30 AEEERN CC(C)(C)c1cc(CS)no1 725252049 537916053 /nfs/dbraw/zinc/91/60/53/537916053.db2.gz CKCXIDXCRAVGSF-UHFFFAOYSA-N 0 0 171.265 2.402 10 30 AEEERN C[C@H]1Cc2onc(CS)c2[C@@H](C)O1 725253037 537916068 /nfs/dbraw/zinc/91/60/68/537916068.db2.gz SWEQFMQBVXMNNB-NTSWFWBYSA-N 0 0 199.275 2.127 10 30 AEEERN SCc1cc(-c2cncs2)on1 725253028 537916093 /nfs/dbraw/zinc/91/60/93/537916093.db2.gz SOCRGEAUBQRXHJ-UHFFFAOYSA-N 0 0 198.272 2.228 10 30 AEEERN SCc1cc(-c2cccnc2)on1 725251946 537916119 /nfs/dbraw/zinc/91/61/19/537916119.db2.gz BPSWXKKAJCJUOM-UHFFFAOYSA-N 0 0 192.243 2.166 10 30 AEEERN CC(C)C(C(O)=CC=O)C(C)C 725257106 537923028 /nfs/dbraw/zinc/92/30/28/537923028.db2.gz IHKKMTGYSRBACQ-UHFFFAOYSA-N 0 0 170.252 2.073 10 30 AEEERN O=C[C@]1(c2cccc(F)c2)C[C@@H](F)C1 725258910 537924349 /nfs/dbraw/zinc/92/43/49/537924349.db2.gz GCUWDNXGHHPHPX-PHIMTYICSA-N 0 0 196.196 2.394 10 30 AEEERN O=C[C@]1(c2ccc(F)cc2)C[C@@H](F)C1 725258960 537925645 /nfs/dbraw/zinc/92/56/45/537925645.db2.gz IVGHWCMFORNBST-PHIMTYICSA-N 0 0 196.196 2.394 10 30 AEEERN CCO/C=C(\C)C(=O)[C@H]1C[C@@H]1C 725258379 537925766 /nfs/dbraw/zinc/92/57/66/537925766.db2.gz JZNPLNUOSNKOKS-RPAOPIHUSA-N 0 0 168.236 2.152 10 30 AEEERN CCO/C=C(\C)C(=O)[C@H]1C[C@H]1C 725258378 537926493 /nfs/dbraw/zinc/92/64/93/537926493.db2.gz JZNPLNUOSNKOKS-IQDDUSTRSA-N 0 0 168.236 2.152 10 30 AEEERN CN(C)/C=C/C(=O)[C@@]12CCCC[C@@H]1C2 725258352 537926604 /nfs/dbraw/zinc/92/66/04/537926604.db2.gz CMWFUEBBHTZWHX-HSHKGWJESA-N 0 0 193.290 2.211 10 30 AEEERN O=C[C@]1(c2ccccc2F)C[C@@H](F)C1 725259095 537926629 /nfs/dbraw/zinc/92/66/29/537926629.db2.gz XCBONQMOKHLIFP-DKTWLAJQSA-N 0 0 196.196 2.394 10 30 AEEERN CCC(C)(C)c1cc(CC#N)no1 725272757 537935876 /nfs/dbraw/zinc/93/58/76/537935876.db2.gz LUAMFGYKJCUDNH-UHFFFAOYSA-N 0 0 178.235 2.428 10 30 AEEERN CCO/C=C/C(=O)c1ccoc1 87290625 537936654 /nfs/dbraw/zinc/93/66/54/537936654.db2.gz SOYUCLRWXWORGF-GQCTYLIASA-N 0 0 166.176 2.013 10 30 AEEERN CN(C)/C=C1/CCCC(C)(C)C1=O 86844452 537936774 /nfs/dbraw/zinc/93/67/74/537936774.db2.gz BJXYWHLVQIBJQN-HJWRWDBZSA-N 0 0 181.279 2.211 10 30 AEEERN CCO/C=C1/CCC(C)(C)C1=O 86865421 537937253 /nfs/dbraw/zinc/93/72/53/537937253.db2.gz HLHHVTMZJKLAEM-FPLPWBNLSA-N 0 0 168.236 2.296 10 30 AEEERN CC/C=C/C/C=C/CC=O 101077434 537950375 /nfs/dbraw/zinc/95/03/75/537950375.db2.gz FIDBXHOCOXRPRO-FZWLCVONSA-N 0 0 138.210 2.488 10 30 AEEERN CCCCCCCCn1cnc(N)n1 104676443 537955333 /nfs/dbraw/zinc/95/53/33/537955333.db2.gz WBKFRNUWCZBYSX-UHFFFAOYSA-N 0 0 196.298 2.221 10 30 AEEERN C[C@@H]1CC(=O)/C(=C/N(C)C)[C@H](C)C1 113246207 537965629 /nfs/dbraw/zinc/96/56/29/537965629.db2.gz QYLRTRSGOOBNCE-UUFMJPOISA-N 0 0 181.279 2.067 10 30 AEEERN CCCC#CC(=O)OC(C)(C)C 115207019 537967061 /nfs/dbraw/zinc/96/70/61/537967061.db2.gz OGZBQUMECIQVQA-UHFFFAOYSA-N 0 0 168.236 2.132 10 30 AEEERN C#Cc1nc2cc(Cl)ccc2[nH]1 114225572 537967672 /nfs/dbraw/zinc/96/76/72/537967672.db2.gz OMCLCHDZRBGPAI-UHFFFAOYSA-N 0 0 176.606 2.198 10 30 AEEERN CCCCCCCCn1cc(N)nn1 118186882 537970975 /nfs/dbraw/zinc/97/09/75/537970975.db2.gz BLYSLWYEGWCYRS-UHFFFAOYSA-N 0 0 196.298 2.221 10 30 AEEERN C=CCc1cccc(C=O)c1 116475044 537972287 /nfs/dbraw/zinc/97/22/87/537972287.db2.gz KUEDNSFBFPTFIA-UHFFFAOYSA-N 0 0 146.189 2.228 10 30 AEEERN CCCC(C#CC(=O)OC)CCC 133042236 537986909 /nfs/dbraw/zinc/98/69/09/537986909.db2.gz XPXBRYQNVUHWHR-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C#C[C@H](C)[C@H](C)CC 138647168 537989576 /nfs/dbraw/zinc/98/95/76/537989576.db2.gz GYXPVYPQOHEKON-JGVFFNPUSA-N 0 0 110.200 2.302 10 30 AEEERN C#CC1C(C)(C)C1(C)C 136902980 537989927 /nfs/dbraw/zinc/98/99/27/537989927.db2.gz CULUTDAFUYSLBN-UHFFFAOYSA-N 0 0 122.211 2.302 10 30 AEEERN C#C[C@H](C)[C@@H](C)CC 138647308 537990607 /nfs/dbraw/zinc/99/06/07/537990607.db2.gz GYXPVYPQOHEKON-YUMQZZPRSA-N 0 0 110.200 2.302 10 30 AEEERN C=CCCC[C@@H](N)C(=O)OC(C)(C)C 136865301 537990845 /nfs/dbraw/zinc/99/08/45/537990845.db2.gz XBCFNFUNDJUREB-SECBINFHSA-N 0 0 199.294 2.012 10 30 AEEERN C#C[C@@H](C)[C@H](C)CC 138647434 537991040 /nfs/dbraw/zinc/99/10/40/537991040.db2.gz GYXPVYPQOHEKON-HTQZYQBOSA-N 0 0 110.200 2.302 10 30 AEEERN C=CCCC[C@H](N)C(=O)OC(C)(C)C 136865352 537991058 /nfs/dbraw/zinc/99/10/58/537991058.db2.gz XBCFNFUNDJUREB-VIFPVBQESA-N 0 0 199.294 2.012 10 30 AEEERN C#C[C@@H](C)[C@@H](C)CC 138647550 537991354 /nfs/dbraw/zinc/99/13/54/537991354.db2.gz GYXPVYPQOHEKON-SFYZADRCSA-N 0 0 110.200 2.302 10 30 AEEERN C=CCc1ccc([C@@H](C)O)cc1 149518724 538009010 /nfs/dbraw/zinc/00/90/10/538009010.db2.gz YAKBPMUIYUSAMS-SECBINFHSA-N 0 0 162.232 2.468 10 30 AEEERN C=CCc1ccc([C@H](C)O)cc1 149518950 538009283 /nfs/dbraw/zinc/00/92/83/538009283.db2.gz YAKBPMUIYUSAMS-VIFPVBQESA-N 0 0 162.232 2.468 10 30 AEEERN C=C(C)c1cccnc1C 149743916 538010195 /nfs/dbraw/zinc/01/01/95/538010195.db2.gz SVLPIUNJNGFRNZ-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C=CC[C@H](C)Nc1ncc(C)cn1 160427321 538044220 /nfs/dbraw/zinc/04/42/20/538044220.db2.gz BRTBOUNJZQEDDE-VIFPVBQESA-N 0 0 177.251 2.162 10 30 AEEERN C=CC[C@@H](C)Nc1ncc(C)cn1 160427440 538045531 /nfs/dbraw/zinc/04/55/31/538045531.db2.gz BRTBOUNJZQEDDE-SECBINFHSA-N 0 0 177.251 2.162 10 30 AEEERN C=CCN(C(=O)N(CC)CC)C1CC1 161492445 538060549 /nfs/dbraw/zinc/06/05/49/538060549.db2.gz FZTBBUZLILCNLW-UHFFFAOYSA-N 0 0 196.294 2.099 10 30 AEEERN CC#CCN[C@@H](C)c1csc(C)n1 161998022 538067977 /nfs/dbraw/zinc/06/79/77/538067977.db2.gz HGQXKCQSDTUGTF-QMMMGPOBSA-N 0 0 194.303 2.125 10 30 AEEERN C=CCCCOc1cnn(CC)c1 162084571 538070484 /nfs/dbraw/zinc/07/04/84/538070484.db2.gz AICYZPWHSYWOJO-UHFFFAOYSA-N 0 0 180.251 2.248 10 30 AEEERN CC#CCN[C@H](C)c1csc(C)n1 161998140 538071042 /nfs/dbraw/zinc/07/10/42/538071042.db2.gz HGQXKCQSDTUGTF-MRVPVSSYSA-N 0 0 194.303 2.125 10 30 AEEERN C=C(C)C[NH2+]Cc1cnccc1C 167476808 538174005 /nfs/dbraw/zinc/17/40/05/538174005.db2.gz PWUDEWDVPRWKNR-UHFFFAOYSA-N 0 0 176.263 2.056 10 30 AEEERN COC[C@@H](S)c1ccccc1 197958056 538182676 /nfs/dbraw/zinc/18/26/76/538182676.db2.gz KMJOANZKMSCULR-SECBINFHSA-N 0 0 168.261 2.304 10 30 AEEERN COC[C@H](S)c1ccccc1 197958050 538182803 /nfs/dbraw/zinc/18/28/03/538182803.db2.gz KMJOANZKMSCULR-VIFPVBQESA-N 0 0 168.261 2.304 10 30 AEEERN C=C(CC)COc1cc(C)n(C)n1 200470203 538184069 /nfs/dbraw/zinc/18/40/69/538184069.db2.gz IDPGGHUXNDUDHH-UHFFFAOYSA-N 0 0 180.251 2.074 10 30 AEEERN CCO/C=C(\C)C(=O)c1ccco1 212002806 538187551 /nfs/dbraw/zinc/18/75/51/538187551.db2.gz DJOQKAGJIWSPOM-BQYQJAHWSA-N 0 0 180.203 2.403 10 30 AEEERN CCC[C@]1(C(=O)OCC)OC12CCC2 212048571 538187786 /nfs/dbraw/zinc/18/77/86/538187786.db2.gz BDNNKJMGYXGVHS-LLVKDONJSA-N 0 0 198.262 2.041 10 30 AEEERN CCC[C@@]1(C(=O)OCC)OC12CCC2 212048514 538188184 /nfs/dbraw/zinc/18/81/84/538188184.db2.gz BDNNKJMGYXGVHS-NSHDSACASA-N 0 0 198.262 2.041 10 30 AEEERN N#CCCCCC(=O)N1CCCCC1 216424253 538192162 /nfs/dbraw/zinc/19/21/62/538192162.db2.gz GVCKILOPKHGTHW-UHFFFAOYSA-N 0 0 194.278 2.083 10 30 AEEERN N#C[C@@H]1CCCC2(CC2)C1 222748573 538194751 /nfs/dbraw/zinc/19/47/51/538194751.db2.gz YEGQBEHKYOAPKG-MRVPVSSYSA-N 0 0 135.210 2.480 10 30 AEEERN N#C[C@H]1CCCC2(CC2)C1 222748507 538195100 /nfs/dbraw/zinc/19/51/00/538195100.db2.gz YEGQBEHKYOAPKG-QMMMGPOBSA-N 0 0 135.210 2.480 10 30 AEEERN C=C(C)CN[C@@H](C)c1ncc(C)o1 230643860 538211183 /nfs/dbraw/zinc/21/11/83/538211183.db2.gz AONONCSLJUMUNV-VIFPVBQESA-N 0 0 180.251 2.210 10 30 AEEERN C=C(C)CN[C@H](C)c1ncc(C)o1 230643867 538212908 /nfs/dbraw/zinc/21/29/08/538212908.db2.gz AONONCSLJUMUNV-SECBINFHSA-N 0 0 180.251 2.210 10 30 AEEERN C=CCCCNC(=O)c1ccccc1 238054963 538250909 /nfs/dbraw/zinc/25/09/09/538250909.db2.gz JXCDEOKLNQJPLN-UHFFFAOYSA-N 0 0 189.258 2.383 10 30 AEEERN N#Cc1cnccc1-c1ccoc1 259630508 538290622 /nfs/dbraw/zinc/29/06/22/538290622.db2.gz IOLDBISYBLYEDJ-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#CCc1cnccc1-c1ccoc1 259733313 538290961 /nfs/dbraw/zinc/29/09/61/538290961.db2.gz RFJVRJMMAKOCSR-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN N#Cc1cc(-c2ccoc2)ccn1 259558558 538291987 /nfs/dbraw/zinc/29/19/87/538291987.db2.gz CHUISQUHGQMUQT-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN CC#CCCOc1ccc(C)cn1 306296890 538302387 /nfs/dbraw/zinc/30/23/87/538302387.db2.gz CUTKDYFZWXZRSI-UHFFFAOYSA-N 0 0 175.231 2.182 10 30 AEEERN C#Cc1ccccc1NC(=O)/C=C/C 306779961 538310114 /nfs/dbraw/zinc/31/01/14/538310114.db2.gz IFLLKBJESLBSTK-XVNBXDOJSA-N 0 0 185.226 2.183 10 30 AEEERN CN(C)/C=C1/CCC2(CCCC2)C1=O 307571117 538318185 /nfs/dbraw/zinc/31/81/85/538318185.db2.gz DSPGAXFFZURDSB-KTKRTIGZSA-N 0 0 193.290 2.355 10 30 AEEERN CC[C@@H](C#CC(=O)OC)CC(C)C 308012809 538319495 /nfs/dbraw/zinc/31/94/95/538319495.db2.gz HDYSZATYLWBSND-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN CC[C@H](C#CC(=O)OC)CC(C)C 308012816 538320025 /nfs/dbraw/zinc/32/00/25/538320025.db2.gz HDYSZATYLWBSND-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN CCO/C=C(\CC)C(=O)C1CC1 308013867 538320415 /nfs/dbraw/zinc/32/04/15/538320415.db2.gz QIIQZJGVGNQJIP-BQYQJAHWSA-N 0 0 168.236 2.296 10 30 AEEERN CC[C@H](C)C[C@]1(CC)O[C@H]1C#N 308048008 538320594 /nfs/dbraw/zinc/32/05/94/538320594.db2.gz QKPKJHBZCOZICL-GUBZILKMSA-N 0 0 167.252 2.494 10 30 AEEERN CC[C@H](C)C[C@]1(CC)O[C@@H]1C#N 308048007 538320816 /nfs/dbraw/zinc/32/08/16/538320816.db2.gz QKPKJHBZCOZICL-AEJSXWLSSA-N 0 0 167.252 2.494 10 30 AEEERN CC[C@H](C)C[C@@]1(CC)O[C@H]1C#N 308048010 538320972 /nfs/dbraw/zinc/32/09/72/538320972.db2.gz QKPKJHBZCOZICL-LPEHRKFASA-N 0 0 167.252 2.494 10 30 AEEERN CC[C@H](C)C[C@@]1(CC)O[C@@H]1C#N 308048009 538321142 /nfs/dbraw/zinc/32/11/42/538321142.db2.gz QKPKJHBZCOZICL-IVZWLZJFSA-N 0 0 167.252 2.494 10 30 AEEERN CCO/C=C(\C)C(=O)[C@@H]1C[C@@H]1C 322325466 538325006 /nfs/dbraw/zinc/32/50/06/538325006.db2.gz JZNPLNUOSNKOKS-PTEBFVFZSA-N 0 0 168.236 2.152 10 30 AEEERN CCO/C=C(\C)C(=O)[C@@H]1C[C@H]1C 322325463 538326495 /nfs/dbraw/zinc/32/64/95/538326495.db2.gz JZNPLNUOSNKOKS-AIORQRFUSA-N 0 0 168.236 2.152 10 30 AEEERN CCO/C=C(\C)C(=O)C1CCC1 323812977 538326877 /nfs/dbraw/zinc/32/68/77/538326877.db2.gz IMIMLWLZLUULQE-BQYQJAHWSA-N 0 0 168.236 2.296 10 30 AEEERN CC/C(=C\N(C)C)C(=O)C1CCC1 323776795 538327563 /nfs/dbraw/zinc/32/75/63/538327563.db2.gz AYHURQYWIALCDH-CMDGGOBGSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(C)C[C@H](C)c1nc(COC)no1 349924663 538330130 /nfs/dbraw/zinc/33/01/30/538330130.db2.gz YFBUNAVLTFLABB-QMMMGPOBSA-N 0 0 196.250 2.286 10 30 AEEERN C=C(C)C[C@@H](C)c1nc(COC)no1 349924662 538330430 /nfs/dbraw/zinc/33/04/30/538330430.db2.gz YFBUNAVLTFLABB-MRVPVSSYSA-N 0 0 196.250 2.286 10 30 AEEERN C=C(C)C[C@@H](C)c1nc(N(C)C)no1 350214769 538330767 /nfs/dbraw/zinc/33/07/67/538330767.db2.gz RPTVFNKFYVPFEA-MRVPVSSYSA-N 0 0 195.266 2.205 10 30 AEEERN CC#CCCCc1nc(C2CC2)no1 349938521 538330932 /nfs/dbraw/zinc/33/09/32/538330932.db2.gz DDLFUXRUHCLYKE-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN C=C(C)C[C@H](C)c1nc(N(C)C)no1 350214771 538331096 /nfs/dbraw/zinc/33/10/96/538331096.db2.gz RPTVFNKFYVPFEA-QMMMGPOBSA-N 0 0 195.266 2.205 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1C 378664993 538332796 /nfs/dbraw/zinc/33/27/96/538332796.db2.gz FNVXKJKBFMOQST-KKZNHRDASA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 378686222 538332826 /nfs/dbraw/zinc/33/28/26/538332826.db2.gz FBWGKTMYBRSBRL-OPRDCNLKSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]1C 378686221 538332919 /nfs/dbraw/zinc/33/29/19/538332919.db2.gz FBWGKTMYBRSBRL-KXUCPTDWSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1C 378671752 538333084 /nfs/dbraw/zinc/33/30/84/538333084.db2.gz KQTCNFXZWODSRF-OPRDCNLKSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCN(C)C(=O)C(C)(C)CC 379313031 538339123 /nfs/dbraw/zinc/33/91/23/538339123.db2.gz DLSSRGSLILOVIU-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN C=CCCCNC(=O)CC(C)C 379313477 538339301 /nfs/dbraw/zinc/33/93/01/538339301.db2.gz HTLJVTLJXKCCPI-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(C)CCSc1nccn1C 379323124 538343736 /nfs/dbraw/zinc/34/37/36/538343736.db2.gz NVZILKILVJRTFR-UHFFFAOYSA-N 0 0 182.292 2.478 10 30 AEEERN C=CCCCNC(=O)[C@@H](C)CC 379319645 538343934 /nfs/dbraw/zinc/34/39/34/538343934.db2.gz ROLPLEOINKDKKK-VIFPVBQESA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCCNC(=O)[C@H](C)CC 379319644 538345546 /nfs/dbraw/zinc/34/55/46/538345546.db2.gz ROLPLEOINKDKKK-SECBINFHSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCN(C)C(=O)CC(C)(C)C 379326716 538348018 /nfs/dbraw/zinc/34/80/18/538348018.db2.gz APZDFRVEIUYIJK-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN C=CCCCNC(=O)C(C)(C)C 379331213 538349971 /nfs/dbraw/zinc/34/99/71/538349971.db2.gz CQZFZIHPWJDLKJ-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCCNC(=O)N(CC)CC 379352760 538360839 /nfs/dbraw/zinc/36/08/39/538360839.db2.gz COOBMHVUUIKMNS-UHFFFAOYSA-N 0 0 184.283 2.004 10 30 AEEERN C=CCCCNc1ccc(F)cn1 379354974 538361001 /nfs/dbraw/zinc/36/10/01/538361001.db2.gz KBZULVDMKFLNLE-UHFFFAOYSA-N 0 0 180.226 2.021 10 30 AEEERN C=C(C)CN(CC)c1nc(C)ns1 379362399 538363584 /nfs/dbraw/zinc/36/35/84/538363584.db2.gz HHVVMEITHYTXGC-UHFFFAOYSA-N 0 0 197.307 2.249 10 30 AEEERN C[C@]1(CCCC(F)(F)F)O[C@H]1C#N 379365424 538365892 /nfs/dbraw/zinc/36/58/92/538365892.db2.gz JDIXNLWQYIHIDU-NKWVEPMBSA-N 0 0 193.168 2.400 10 30 AEEERN C[C@@]1(CCCC(F)(F)F)O[C@H]1C#N 379365423 538366523 /nfs/dbraw/zinc/36/65/23/538366523.db2.gz JDIXNLWQYIHIDU-BQBZGAKWSA-N 0 0 193.168 2.400 10 30 AEEERN C[C@]1(CCCC(F)(F)F)O[C@@H]1C#N 379365425 538366662 /nfs/dbraw/zinc/36/66/62/538366662.db2.gz JDIXNLWQYIHIDU-RNFRBKRXSA-N 0 0 193.168 2.400 10 30 AEEERN C[C@@]1(CCCC(F)(F)F)O[C@@H]1C#N 379365427 538368189 /nfs/dbraw/zinc/36/81/89/538368189.db2.gz JDIXNLWQYIHIDU-RQJHMYQMSA-N 0 0 193.168 2.400 10 30 AEEERN C=CCCC(=O)N[C@H]1C[C@@H]1CCC 379376826 538369785 /nfs/dbraw/zinc/36/97/85/538369785.db2.gz VFAFAHZWZNNDBI-UWVGGRQHSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCC(=O)N[C@@H]1C[C@@H]1CCC 379376827 538370943 /nfs/dbraw/zinc/37/09/43/538370943.db2.gz VFAFAHZWZNNDBI-VHSXEESVSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCC(=O)N[C@H]1C[C@H]1CCC 379376828 538371890 /nfs/dbraw/zinc/37/18/90/538371890.db2.gz VFAFAHZWZNNDBI-ZJUUUORDSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCN(C)C(=O)CCC1CCC1 379379700 538373566 /nfs/dbraw/zinc/37/35/66/538373566.db2.gz BCZNCDSZRUUYHA-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CC[C@H](CC)NC(=O)C1=CCC1 379380201 538373933 /nfs/dbraw/zinc/37/39/33/538373933.db2.gz BRUYXXXGUTVPNQ-JTQLQIEISA-N 0 0 179.263 2.178 10 30 AEEERN C=CC[C@@H](CC)NC(=O)C1=CCC1 379380202 538375574 /nfs/dbraw/zinc/37/55/74/538375574.db2.gz BRUYXXXGUTVPNQ-SNVBAGLBSA-N 0 0 179.263 2.178 10 30 AEEERN C=CCCCNc1cncc(C)n1 379382280 538376975 /nfs/dbraw/zinc/37/69/75/538376975.db2.gz IMXZHVQWGGUPRT-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=CCCCNC(=O)c1ccsc1 379382471 538378118 /nfs/dbraw/zinc/37/81/18/538378118.db2.gz IYBAQWGYYIIDIJ-UHFFFAOYSA-N 0 0 195.287 2.444 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NCC1CC1 379388173 538380198 /nfs/dbraw/zinc/38/01/98/538380198.db2.gz IZYNGLWEAIFJEP-SECBINFHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCN(C)c1nc(CC)ns1 379387430 538381677 /nfs/dbraw/zinc/38/16/77/538381677.db2.gz HIJXGZRVFXFNSC-UHFFFAOYSA-N 0 0 197.307 2.113 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NCC1CC1 379388174 538382037 /nfs/dbraw/zinc/38/20/37/538382037.db2.gz IZYNGLWEAIFJEP-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCCNC(=O)C1CC(C)C1 379387744 538382520 /nfs/dbraw/zinc/38/25/20/538382520.db2.gz ICYQILYUVMTYPS-UHFFFAOYSA-N 0 0 181.279 2.115 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H]1C 379396196 538388561 /nfs/dbraw/zinc/38/85/61/538388561.db2.gz FBWGKTMYBRSBRL-LPEHRKFASA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCCNC(=O)[C@@H](C)C1CC1 379397783 538389323 /nfs/dbraw/zinc/38/93/23/538389323.db2.gz WYSWMRIAWFSJJA-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H]1C 379396195 538389408 /nfs/dbraw/zinc/38/94/08/538389408.db2.gz FBWGKTMYBRSBRL-GUBZILKMSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]1C 379396197 538389914 /nfs/dbraw/zinc/38/99/14/538389914.db2.gz FBWGKTMYBRSBRL-UTLUCORTSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCN(C)c1ncncc1Cl 379398974 538390958 /nfs/dbraw/zinc/39/09/58/538390958.db2.gz GEPOCWVHBUSBAA-UHFFFAOYSA-N 0 0 197.669 2.142 10 30 AEEERN C=CCCCNC(=O)[C@H](C)C1CC1 379397781 538391051 /nfs/dbraw/zinc/39/10/51/538391051.db2.gz WYSWMRIAWFSJJA-SECBINFHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCCn1cnc(C2CC2)n1 379400191 538392931 /nfs/dbraw/zinc/39/29/31/538392931.db2.gz IFYBYCFUEGSZGE-UHFFFAOYSA-N 0 0 177.251 2.122 10 30 AEEERN C=CCCCNC(=O)C1CC=CC1 379410982 538403686 /nfs/dbraw/zinc/40/36/86/538403686.db2.gz HEIXRLNCYSOOLQ-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCN(C)C(=O)CC(C)(F)F 379409636 538405150 /nfs/dbraw/zinc/40/51/50/538405150.db2.gz DIJCVYZFOROZSY-UHFFFAOYSA-N 0 0 191.221 2.066 10 30 AEEERN C=CCN(C(=O)CC(C)C)C1CC1 379410995 538405196 /nfs/dbraw/zinc/40/51/96/538405196.db2.gz HFDGGBLEFOIMDV-UHFFFAOYSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CN(CC)C(=O)C1=CCC1 379412473 538405917 /nfs/dbraw/zinc/40/59/17/538405917.db2.gz KICWMJQVRMGJMV-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=CCCCNC(=O)C1(C)CCC1 379414497 538406089 /nfs/dbraw/zinc/40/60/89/538406089.db2.gz OEHUXFPFYSYMLJ-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCCNC(=O)N(C)C(C)C 379415490 538408338 /nfs/dbraw/zinc/40/83/38/538408338.db2.gz QAUJNDGOBNBPNT-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C=CCCC(=O)NC(C)(C)C(F)F 379419346 538410791 /nfs/dbraw/zinc/41/07/91/538410791.db2.gz XYDYHXNDGKKKHE-UHFFFAOYSA-N 0 0 191.221 2.113 10 30 AEEERN C=C(C)CNC(=O)[C@H](C)CC(C)C 379419261 538411196 /nfs/dbraw/zinc/41/11/96/538411196.db2.gz XSHBEVKSGGXVQN-SNVBAGLBSA-N 0 0 183.295 2.361 10 30 AEEERN C=CCN(C)C(=O)[C@H](C)CC(C)C 379419277 538411219 /nfs/dbraw/zinc/41/12/19/538411219.db2.gz XTMMHILRYBLELJ-SNVBAGLBSA-N 0 0 183.295 2.313 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(C)C(C)C 379419201 538411305 /nfs/dbraw/zinc/41/13/05/538411305.db2.gz XOPPHYIHPNPSLX-JTQLQIEISA-N 0 0 183.295 2.456 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(C)C(C)C 379419202 538411454 /nfs/dbraw/zinc/41/14/54/538411454.db2.gz XOPPHYIHPNPSLX-SNVBAGLBSA-N 0 0 183.295 2.456 10 30 AEEERN C=C(C)CNC(=O)[C@@H](C)CC(C)C 379419260 538411564 /nfs/dbraw/zinc/41/15/64/538411564.db2.gz XSHBEVKSGGXVQN-JTQLQIEISA-N 0 0 183.295 2.361 10 30 AEEERN C=CCOCCNc1cccc(C)n1 379487287 538411578 /nfs/dbraw/zinc/41/15/78/538411578.db2.gz KTKVOQYZARCIAR-UHFFFAOYSA-N 0 0 192.262 2.005 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)CC(C)C 379419276 538411805 /nfs/dbraw/zinc/41/18/05/538411805.db2.gz XTMMHILRYBLELJ-JTQLQIEISA-N 0 0 183.295 2.313 10 30 AEEERN C=CCCC[C@@H](C)Nc1cccnn1 379646235 538424962 /nfs/dbraw/zinc/42/49/62/538424962.db2.gz YHOLLOIFNABKGP-SNVBAGLBSA-N 0 0 191.278 2.055 10 30 AEEERN C=CCCC[C@H](C)Nc1cccnn1 379646233 538425395 /nfs/dbraw/zinc/42/53/95/538425395.db2.gz YHOLLOIFNABKGP-JTQLQIEISA-N 0 0 191.278 2.055 10 30 AEEERN C=CCCCNC(=O)CCC1CC1 381872594 538428133 /nfs/dbraw/zinc/42/81/33/538428133.db2.gz YTIVOWMRNXCDRS-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=C(C)CN(C)C(=O)C1(CC)CC1 388208406 538430452 /nfs/dbraw/zinc/43/04/52/538430452.db2.gz FFRFQSBZNFKZBW-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCNc1ccccn1 388403514 538431800 /nfs/dbraw/zinc/43/18/00/538431800.db2.gz QFCSEMGKUGJALO-UHFFFAOYSA-N 0 0 162.236 2.460 10 30 AEEERN C=CCNC(=O)C(C)(CC)CC 388391774 538431932 /nfs/dbraw/zinc/43/19/32/538431932.db2.gz CNKGAIIUAFLUKA-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H](C)CC 388391918 538431854 /nfs/dbraw/zinc/43/18/54/538431854.db2.gz CSBSTHHNKSLGDB-VIFPVBQESA-N 0 0 169.268 2.067 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(C)CC 388401309 538431900 /nfs/dbraw/zinc/43/19/00/538431900.db2.gz OFCKPKZKLKWNPH-SECBINFHSA-N 0 0 169.268 2.067 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H](C)CC 388391917 538431907 /nfs/dbraw/zinc/43/19/07/538431907.db2.gz CSBSTHHNKSLGDB-SECBINFHSA-N 0 0 169.268 2.067 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC(C)C 388432610 538432153 /nfs/dbraw/zinc/43/21/53/538432153.db2.gz OHWHMTBYMWLVIL-VIFPVBQESA-N 0 0 169.268 2.113 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NC(C)C 388432609 538432173 /nfs/dbraw/zinc/43/21/73/538432173.db2.gz OHWHMTBYMWLVIL-SECBINFHSA-N 0 0 169.268 2.113 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC(C)C 388416328 538432236 /nfs/dbraw/zinc/43/22/36/538432236.db2.gz FEEMWDYKMLWBJV-SNVBAGLBSA-N 0 0 169.268 2.113 10 30 AEEERN C=C[C@@](C)(CC)C(=O)NC(C)C 388416327 538432287 /nfs/dbraw/zinc/43/22/87/538432287.db2.gz FEEMWDYKMLWBJV-JTQLQIEISA-N 0 0 169.268 2.113 10 30 AEEERN C=CCCC(=O)NCC=C(C)C 388414538 538432407 /nfs/dbraw/zinc/43/24/07/538432407.db2.gz AGAPDANXKKXWST-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCN1CCC[C@H]1C(F)F 388435197 538432458 /nfs/dbraw/zinc/43/24/58/538432458.db2.gz PPPZRUCHBDWXIL-QMMMGPOBSA-N 0 0 175.222 2.292 10 30 AEEERN C=CCN(CC=C)Cc1cncs1 388591386 538434229 /nfs/dbraw/zinc/43/42/29/538434229.db2.gz ASGRZYFENYOWRK-UHFFFAOYSA-N 0 0 194.303 2.317 10 30 AEEERN C=CCNC(=O)CC1(C)CCCC1 388616037 538434618 /nfs/dbraw/zinc/43/46/18/538434618.db2.gz CYDJTVCBDNUMQC-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCC(=O)N1CC[C@H](CC)C1 388627841 538435053 /nfs/dbraw/zinc/43/50/53/538435053.db2.gz HRSMODVAPCILDC-JTQLQIEISA-N 0 0 181.279 2.211 10 30 AEEERN C=CCC(CC=C)C(=O)NC1CC1 388621903 538435092 /nfs/dbraw/zinc/43/50/92/538435092.db2.gz FRMUTHVSDUQBDA-UHFFFAOYSA-N 0 0 179.263 2.033 10 30 AEEERN C=CCCC(=O)N1CC[C@@H](CC)C1 388627842 538435417 /nfs/dbraw/zinc/43/54/17/538435417.db2.gz HRSMODVAPCILDC-SNVBAGLBSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(C)[C@H](CO)Sc1ccccn1 388646226 538435695 /nfs/dbraw/zinc/43/56/95/538435695.db2.gz QEVIQFGOMORWRH-VIFPVBQESA-N 0 0 195.287 2.111 10 30 AEEERN C=C(C)[C@@H](CO)Sc1ccccn1 388646222 538435860 /nfs/dbraw/zinc/43/58/60/538435860.db2.gz QEVIQFGOMORWRH-SECBINFHSA-N 0 0 195.287 2.111 10 30 AEEERN C=CCCCNC(=O)[C@@H](C)C(C)C 388693811 538436020 /nfs/dbraw/zinc/43/60/20/538436020.db2.gz LPXBTQHIPYMTTC-JTQLQIEISA-N 0 0 183.295 2.361 10 30 AEEERN C=CCCCNC(=O)[C@H](C)C(C)C 388693812 538436209 /nfs/dbraw/zinc/43/62/09/538436209.db2.gz LPXBTQHIPYMTTC-SNVBAGLBSA-N 0 0 183.295 2.361 10 30 AEEERN C=CCCCNC(=O)NC1CCCC1 388706686 538436802 /nfs/dbraw/zinc/43/68/02/538436802.db2.gz PYVITSJNUQWCQR-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=CCCCNC(=O)N[C@H](C)CC 388709648 538436896 /nfs/dbraw/zinc/43/68/96/538436896.db2.gz PFIRGKVSCSXUDR-SECBINFHSA-N 0 0 184.283 2.050 10 30 AEEERN C=CCCCNC(=O)N[C@@H](C)CC 388709649 538436947 /nfs/dbraw/zinc/43/69/47/538436947.db2.gz PFIRGKVSCSXUDR-VIFPVBQESA-N 0 0 184.283 2.050 10 30 AEEERN C=CCCN(C)C(=O)C1CCCC1 388751080 538437546 /nfs/dbraw/zinc/43/75/46/538437546.db2.gz BSRAPZXMWGOWFM-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(C)CNC(=O)[C@H](C)CC(=C)C 388942332 538438547 /nfs/dbraw/zinc/43/85/47/538438547.db2.gz XSLYOCQQJLHCHH-SNVBAGLBSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCCc1csc(NC2CC2)n1 388918961 538438643 /nfs/dbraw/zinc/43/86/43/538438643.db2.gz RDMJTGRHXPTXDF-UHFFFAOYSA-N 0 0 194.303 2.258 10 30 AEEERN C=C(C)CNC(=O)[C@@H](C)CC(=C)C 388942331 538438960 /nfs/dbraw/zinc/43/89/60/538438960.db2.gz XSLYOCQQJLHCHH-JTQLQIEISA-N 0 0 181.279 2.281 10 30 AEEERN C=CCc1ccc2c(c1)COC(=O)N2 667946078 538442125 /nfs/dbraw/zinc/44/21/25/538442125.db2.gz STSKUODBZPKJEX-UHFFFAOYSA-N 0 0 189.214 2.477 10 30 AEEERN C=CCc1ccc(F)cc1[N+](=O)[O-] 667946053 538442134 /nfs/dbraw/zinc/44/21/34/538442134.db2.gz DAQBONIIRAQGHZ-UHFFFAOYSA-N 0 0 181.166 2.462 10 30 AEEERN C=CCc1ccc(F)cc1C#N 667946085 538442142 /nfs/dbraw/zinc/44/21/42/538442142.db2.gz WJWBYRVMYAEQAG-UHFFFAOYSA-N 0 0 161.179 2.426 10 30 AEEERN C=CCc1ccc2ncn(C)c2c1 667946083 538442149 /nfs/dbraw/zinc/44/21/49/538442149.db2.gz VQPPHAUOTDFXBK-UHFFFAOYSA-N 0 0 172.231 2.302 10 30 AEEERN C=CCc1ccc2c(c1)ncn2C 667946088 538442204 /nfs/dbraw/zinc/44/22/04/538442204.db2.gz YIMHIKFYOBLCDO-UHFFFAOYSA-N 0 0 172.231 2.302 10 30 AEEERN C=CCc1ccc(C(=O)NC)c(C)c1 667943876 538442226 /nfs/dbraw/zinc/44/22/26/538442226.db2.gz YZKHVUJWIBNAEV-UHFFFAOYSA-N 0 0 189.258 2.083 10 30 AEEERN N#CC[C@@]12CCCC[C@@H]1C2 669379551 538444847 /nfs/dbraw/zinc/44/48/47/538444847.db2.gz FDJYUPXMVMREKZ-RKDXNWHRSA-N 0 0 135.210 2.480 10 30 AEEERN N#CC[C@]12CCCC[C@H]1C2 669379550 538445221 /nfs/dbraw/zinc/44/52/21/538445221.db2.gz FDJYUPXMVMREKZ-IUCAKERBSA-N 0 0 135.210 2.480 10 30 AEEERN CCCc1ccc(C#N)c(F)n1 669378394 538445278 /nfs/dbraw/zinc/44/52/78/538445278.db2.gz CSTXDFMYOPLXJQ-UHFFFAOYSA-N 0 0 164.183 2.045 10 30 AEEERN CCN(C)c1nc(C#N)ccc1Cl 669381982 538445614 /nfs/dbraw/zinc/44/56/14/538445614.db2.gz CSYKMLUJFDCBHM-UHFFFAOYSA-N 0 0 195.653 2.063 10 30 AEEERN N#C[C@H]1OC12CC(c1ccccc1)C2 669382246 538445868 /nfs/dbraw/zinc/44/58/68/538445868.db2.gz BYMFZFVEZTZPLD-MOENNCHZSA-N 0 0 185.226 2.225 10 30 AEEERN N#C[C@@H]1OC12CC(c1ccccc1)C2 669382245 538446035 /nfs/dbraw/zinc/44/60/35/538446035.db2.gz BYMFZFVEZTZPLD-CXQJBGSLSA-N 0 0 185.226 2.225 10 30 AEEERN C=CCc1cccc(OCCOC)c1 669382665 538446175 /nfs/dbraw/zinc/44/61/75/538446175.db2.gz KUGGRAYSZAOXNK-UHFFFAOYSA-N 0 0 192.258 2.440 10 30 AEEERN C=CCc1ccc(OCCOC)cc1 669382616 538446296 /nfs/dbraw/zinc/44/62/96/538446296.db2.gz CWXHIFRZCWEFHW-UHFFFAOYSA-N 0 0 192.258 2.440 10 30 AEEERN C[C@@H]1CCC(C)(C)C[C@]12O[C@H]2C#N 669384130 538446838 /nfs/dbraw/zinc/44/68/38/538446838.db2.gz OFABVMXIONFVOV-YWVKMMECSA-N 0 0 179.263 2.494 10 30 AEEERN C[C@@H]1CCC(C)(C)C[C@@]12O[C@@H]2C#N 669384127 538447059 /nfs/dbraw/zinc/44/70/59/538447059.db2.gz OFABVMXIONFVOV-FXPVBKGRSA-N 0 0 179.263 2.494 10 30 AEEERN C[C@@H]1c2ccccc2C[C@]12O[C@H]2C#N 669384207 538447079 /nfs/dbraw/zinc/44/70/79/538447079.db2.gz QDDYJRFNUQXYHN-ZHAHWJHGSA-N 0 0 185.226 2.007 10 30 AEEERN C[C@@H]1c2ccccc2C[C@@]12O[C@H]2C#N 669384206 538447103 /nfs/dbraw/zinc/44/71/03/538447103.db2.gz QDDYJRFNUQXYHN-JFUSQASVSA-N 0 0 185.226 2.007 10 30 AEEERN C[C@@H]1CCC(C)(C)C[C@@]12O[C@H]2C#N 669384129 538447179 /nfs/dbraw/zinc/44/71/79/538447179.db2.gz OFABVMXIONFVOV-WCABBAIRSA-N 0 0 179.263 2.494 10 30 AEEERN C[C@@H]1c2ccccc2C[C@]12O[C@@H]2C#N 669384204 538447217 /nfs/dbraw/zinc/44/72/17/538447217.db2.gz QDDYJRFNUQXYHN-FXAINCCUSA-N 0 0 185.226 2.007 10 30 AEEERN C[C@@H]1CCC(C)(C)C[C@]12O[C@@H]2C#N 669384128 538447266 /nfs/dbraw/zinc/44/72/66/538447266.db2.gz OFABVMXIONFVOV-KKZNHRDASA-N 0 0 179.263 2.494 10 30 AEEERN C[C@@H]1c2ccccc2C[C@@]12O[C@@H]2C#N 669384205 538447273 /nfs/dbraw/zinc/44/72/73/538447273.db2.gz QDDYJRFNUQXYHN-GGZOMVNGSA-N 0 0 185.226 2.007 10 30 AEEERN CC(=O)C1=Cc2c(C)cccc2OC1 675063581 538450253 /nfs/dbraw/zinc/45/02/53/538450253.db2.gz JAFVJXIBBJYESV-UHFFFAOYSA-N 0 0 188.226 2.360 10 30 AEEERN CC#CCCn1ccnc1CCC 157757572 541308395 /nfs/dbraw/zinc/30/83/95/541308395.db2.gz AKFSGCGXRQIGQI-UHFFFAOYSA-N 0 0 176.263 2.249 10 30 AEEERN C=C1CCCN(c2ccc(C=O)o2)C1 606263063 541347488 /nfs/dbraw/zinc/34/74/88/541347488.db2.gz WLZCFAWERYENNL-UHFFFAOYSA-N 0 0 191.230 2.249 10 30 AEEERN C[C@H]1[C@](C)(CC#N)[C@]1(F)Cl 669380732 541348726 /nfs/dbraw/zinc/34/87/26/541348726.db2.gz UVKRPWRRZYUNIF-ACZMJKKPSA-N 0 0 161.607 2.461 10 30 AEEERN C[C@@H]1[C@](F)(Cl)[C@]1(C)CC#N 669380734 541349212 /nfs/dbraw/zinc/34/92/12/541349212.db2.gz UVKRPWRRZYUNIF-RRKCRQDMSA-N 0 0 161.607 2.461 10 30 AEEERN C[C@@H]1[C@](F)(Cl)[C@@]1(C)CC#N 669380733 541349240 /nfs/dbraw/zinc/34/92/40/541349240.db2.gz UVKRPWRRZYUNIF-LYFYHCNISA-N 0 0 161.607 2.461 10 30 AEEERN C[C@@H]1[C@@](F)(Cl)[C@]1(C)CC#N 669380735 541349642 /nfs/dbraw/zinc/34/96/42/541349642.db2.gz UVKRPWRRZYUNIF-XVMARJQXSA-N 0 0 161.607 2.461 10 30 AEEERN N#Cc1cccc(Nc2cccnc2)n1 81615784 756971497 /nfs/dbraw/zinc/97/14/97/756971497.db2.gz UPVXPRSBJUKVRE-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN C=C(C)CCC(=O)OC(C)C 142497383 756991909 /nfs/dbraw/zinc/99/19/09/756991909.db2.gz AIXYADJZJCPSEX-UHFFFAOYSA-N 0 0 156.225 2.294 10 30 AEEERN N#CCCCCOC1CCC(=O)CC1 164166874 757007695 /nfs/dbraw/zinc/00/76/95/757007695.db2.gz OTWZSZHYBHRUCP-UHFFFAOYSA-N 0 0 195.262 2.209 10 30 AEEERN C=C(C)CNc1ncccc1OC 167632113 757016468 /nfs/dbraw/zinc/01/64/68/757016468.db2.gz GNMMDSFDVKFMGU-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN C=C(C)CNc1ncccc1OCC 167629300 757016730 /nfs/dbraw/zinc/01/67/30/757016730.db2.gz YOHHHAPXPAXNGA-UHFFFAOYSA-N 0 0 192.262 2.468 10 30 AEEERN C=C(C)CNc1cc(CCC)ncn1 167623334 757016879 /nfs/dbraw/zinc/01/68/79/757016879.db2.gz FAHDHKOSVOOKGE-UHFFFAOYSA-N 0 0 191.278 2.417 10 30 AEEERN C=CCCNC(=O)Oc1ccccc1 168960647 757019182 /nfs/dbraw/zinc/01/91/82/757019182.db2.gz ZJBLLMSHBOFCKI-UHFFFAOYSA-N 0 0 191.230 2.351 10 30 AEEERN C=CCOC(=O)N1CCC[C@H](C)CC1 170277517 757021111 /nfs/dbraw/zinc/02/11/11/757021111.db2.gz SHDSXHMLHSRYFA-JTQLQIEISA-N 0 0 197.278 2.431 10 30 AEEERN C=CCOC(=O)N[C@@H]1CCC(C)(C)C1 170277463 757021394 /nfs/dbraw/zinc/02/13/94/757021394.db2.gz NUKNCERBYVJBMN-SECBINFHSA-N 0 0 197.278 2.477 10 30 AEEERN C=CCNC(=O)N(C(C)C)C(C)C 170282416 757021931 /nfs/dbraw/zinc/02/19/31/757021931.db2.gz HEAUTDSTQDKOHA-UHFFFAOYSA-N 0 0 184.283 2.001 10 30 AEEERN C=CCOC(=O)Nc1cccnc1C 170277290 757022324 /nfs/dbraw/zinc/02/23/24/757022324.db2.gz ZFYVLBSWRYWLEB-UHFFFAOYSA-N 0 0 192.218 2.125 10 30 AEEERN C=CCOC(=O)Nc1ccc(C)nc1 170277283 757022433 /nfs/dbraw/zinc/02/24/33/757022433.db2.gz HSZIYPSUFFLWOW-UHFFFAOYSA-N 0 0 192.218 2.125 10 30 AEEERN C=CCOC(=O)N[C@H]1CCC(C)(C)C1 170277465 757022490 /nfs/dbraw/zinc/02/24/90/757022490.db2.gz NUKNCERBYVJBMN-VIFPVBQESA-N 0 0 197.278 2.477 10 30 AEEERN C=CCOC(=O)N1CCC[C@@H](C)CC1 170277515 757022522 /nfs/dbraw/zinc/02/25/22/757022522.db2.gz SHDSXHMLHSRYFA-SNVBAGLBSA-N 0 0 197.278 2.431 10 30 AEEERN C=CCCOC(=O)/C(C)=C/C 197153401 757025896 /nfs/dbraw/zinc/02/58/96/757025896.db2.gz DMDOPNKEKJBLCQ-VMPITWQZSA-N 0 0 154.209 2.072 10 30 AEEERN C=CCOC(=O)Cc1ccccc1C 204884039 757031250 /nfs/dbraw/zinc/03/12/50/757031250.db2.gz BBWNNKQEJADKTL-UHFFFAOYSA-N 0 0 190.242 2.267 10 30 AEEERN N#CC1CCC(Cn2ccnc2)CC1 259742837 757042040 /nfs/dbraw/zinc/04/20/40/757042040.db2.gz QEYLAIRVKCGKNF-UHFFFAOYSA-N 0 0 189.262 2.213 10 30 AEEERN Cc1cc(C)nc(N(C)[C@H](C)C#N)c1 260412850 757045544 /nfs/dbraw/zinc/04/55/44/757045544.db2.gz PDMBWTGLRLPZJT-SNVBAGLBSA-N 0 0 189.262 2.047 10 30 AEEERN Cc1ccc2nc(NCC#N)ccc2c1 260290242 757045726 /nfs/dbraw/zinc/04/57/26/757045726.db2.gz KBGZRDCWKJPAAN-UHFFFAOYSA-N 0 0 197.241 2.479 10 30 AEEERN Cc1n[nH]cc1Nc1cccc(C#N)c1 260259328 757045908 /nfs/dbraw/zinc/04/59/08/757045908.db2.gz QMXJKJHYZHPCKH-UHFFFAOYSA-N 0 0 198.229 2.333 10 30 AEEERN Cc1ccc(N(C)[C@@H](C)C#N)nc1C 260527437 757046399 /nfs/dbraw/zinc/04/63/99/757046399.db2.gz UTVULMPHSAKADO-VIFPVBQESA-N 0 0 189.262 2.047 10 30 AEEERN Cc1cccc2ccc(NCC#N)nc12 260255721 757046665 /nfs/dbraw/zinc/04/66/65/757046665.db2.gz IYLNRWSMSFLALU-UHFFFAOYSA-N 0 0 197.241 2.479 10 30 AEEERN CN(C)Cc1cc(C#N)ccc1Cl 260293612 757046867 /nfs/dbraw/zinc/04/68/67/757046867.db2.gz AXFJVXWYBHUCFO-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN Cc1n[nH]cc1Nc1ccccc1C#N 260319646 757046951 /nfs/dbraw/zinc/04/69/51/757046951.db2.gz UKYYLWDFRFLZIF-UHFFFAOYSA-N 0 0 198.229 2.333 10 30 AEEERN Cc1ccc(N(C)[C@H](C)C#N)nc1C 260527433 757047176 /nfs/dbraw/zinc/04/71/76/757047176.db2.gz UTVULMPHSAKADO-SECBINFHSA-N 0 0 189.262 2.047 10 30 AEEERN CC(C)(C)c1ccnc(NCC#N)c1 260333726 757047858 /nfs/dbraw/zinc/04/78/58/757047858.db2.gz LSUOCXQOLZBRLX-UHFFFAOYSA-N 0 0 189.262 2.315 10 30 AEEERN Cc1n[nH]cc1Nc1ccc(C#N)cc1 260373583 757048656 /nfs/dbraw/zinc/04/86/56/757048656.db2.gz XWLPVVMCIUWBQS-UHFFFAOYSA-N 0 0 198.229 2.333 10 30 AEEERN CN(C)Cc1cccc(C#N)c1Cl 260283619 757048803 /nfs/dbraw/zinc/04/88/03/757048803.db2.gz AMLLPSPMRDAOGR-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN CN(C)Cc1c(Cl)cccc1C#N 261103848 757048894 /nfs/dbraw/zinc/04/88/94/757048894.db2.gz ZHFUTXXMXXQQPD-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN CCCNc1cc(Cl)ncc1C#N 260047312 757049623 /nfs/dbraw/zinc/04/96/23/757049623.db2.gz DMDAJHHGAOTELK-UHFFFAOYSA-N 0 0 195.653 2.429 10 30 AEEERN Cc1cc(C)nc(N(C)[C@@H](C)C#N)c1 260412846 757049710 /nfs/dbraw/zinc/04/97/10/757049710.db2.gz PDMBWTGLRLPZJT-JTQLQIEISA-N 0 0 189.262 2.047 10 30 AEEERN N#CCNc1ccc(CF)cc1 261330442 757051176 /nfs/dbraw/zinc/05/11/76/757051176.db2.gz TWQVGJWFMDRFMP-UHFFFAOYSA-N 0 0 164.183 2.092 10 30 AEEERN CC1CC(=NOC2CCC2)C1 306296123 757060880 /nfs/dbraw/zinc/06/08/80/757060880.db2.gz AJDSXBSWOHDNRZ-UHFFFAOYSA-N 0 0 153.225 2.341 10 30 AEEERN CC(=O)CC(C)=Nc1cc(C)ccn1 306705234 757073470 /nfs/dbraw/zinc/07/34/70/757073470.db2.gz KPMHQVIPDULXJU-CLFYSBASSA-N 0 0 190.246 2.295 10 30 AEEERN CC(C)C[C@H](C#N)C(=O)[C@@H]1C[C@H]1C 252124738 571828349 /nfs/dbraw/zinc/82/83/49/571828349.db2.gz LGQFUMRSAGLCEW-OPRDCNLKSA-N 0 0 179.263 2.397 10 30 AEEERN CC(=O)C=C(C)Nc1ccc(C)cn1 306796544 757075612 /nfs/dbraw/zinc/07/56/12/757075612.db2.gz JODPUVPBJUBPLB-TWGQIWQCSA-N 0 0 190.246 2.295 10 30 AEEERN CN(c1ccc(C#N)cn1)C(C)(C)C 306750819 757075663 /nfs/dbraw/zinc/07/56/63/757075663.db2.gz NAQMOQPOUPSMGM-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN CC(=O)/C=C\C(=O)c1ccccc1 39168439 571905281 /nfs/dbraw/zinc/90/52/81/571905281.db2.gz VZZADINUWDBNEX-FPLPWBNLSA-N 0 0 174.199 2.015 10 30 AEEERN C[N@H+](CC(C)(C)C#N)C1CCC1 258996375 571910684 /nfs/dbraw/zinc/91/06/84/571910684.db2.gz YINBMNIKNOTEFL-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN C=CC[C@@H]1CC=CC(=O)C1 39261160 571916685 /nfs/dbraw/zinc/91/66/85/571916685.db2.gz BTMQQJYDLWRDLU-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN N#CCc1cc(Cl)c2nccn2c1 687729222 571916688 /nfs/dbraw/zinc/91/66/88/571916688.db2.gz VNMOBAWWPYBJAL-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN CC#Cc1ccncc1Br 139449481 571921384 /nfs/dbraw/zinc/92/13/84/571921384.db2.gz JIGCZJQOLQGQSB-UHFFFAOYSA-N 0 0 196.047 2.216 10 30 AEEERN C=C[C@@H](C)Nc1ccc(C#N)c(C#N)c1 235226174 571687151 /nfs/dbraw/zinc/68/71/51/571687151.db2.gz WFLXMWNZARBNQI-SECBINFHSA-N 0 0 197.241 2.416 10 30 AEEERN C#C[C@H](C)OC(=O)C=C1CCCC1 306972487 757083033 /nfs/dbraw/zinc/08/30/33/757083033.db2.gz WBFHOIREDOOZJK-VIFPVBQESA-N 0 0 178.231 2.052 10 30 AEEERN C[C@H](C#N)c1cc2ccncc2o1 214026279 571704911 /nfs/dbraw/zinc/70/49/11/571704911.db2.gz CBBGXQJNPKIBMF-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN C=CC[C@@]1(O)CCC[C@@]1(CO)CC=C 214031396 571704956 /nfs/dbraw/zinc/70/49/56/571704956.db2.gz AASKLTUSKIVISW-VXGBXAGGSA-N 0 0 196.290 2.032 10 30 AEEERN C[C@H](O)[C@@H](C)O[C@@H](C#N)CC(C)(C)C 235534244 571963235 /nfs/dbraw/zinc/96/32/35/571963235.db2.gz JSSGJFIWYFXXHK-IVZWLZJFSA-N 0 0 199.294 2.101 10 30 AEEERN CCc1ccc(OC)c(O)c1CC#N 214632727 571971592 /nfs/dbraw/zinc/97/15/92/571971592.db2.gz SEWGEAZKYKVIKL-UHFFFAOYSA-N 0 0 191.230 2.029 10 30 AEEERN C=C(C)[C@]1(c2ccccc2)CO1 138784524 571713966 /nfs/dbraw/zinc/71/39/66/571713966.db2.gz JAGMQTOKDRIOCG-NSHDSACASA-N 0 0 160.216 2.488 10 30 AEEERN C=C1CCN(c2ccc(N)cc2)CC1 116756746 571726240 /nfs/dbraw/zinc/72/62/40/571726240.db2.gz XURMVOBZJQLFPI-UHFFFAOYSA-N 0 0 188.274 2.425 10 30 AEEERN CC(C)N=Nc1ccc(F)cn1 307312136 757088956 /nfs/dbraw/zinc/08/89/56/757088956.db2.gz GJLSIUZHFFAJJH-UHFFFAOYSA-N 0 0 167.187 2.028 10 30 AEEERN C#C[C@@](C)(CC)Nc1ccc(F)cn1 307413517 757090236 /nfs/dbraw/zinc/09/02/36/757090236.db2.gz HGIOBLRYFWQUJZ-NSHDSACASA-N 0 0 192.237 2.435 10 30 AEEERN C#CCON=Cc1sccc1C 308074850 757099804 /nfs/dbraw/zinc/09/98/04/757099804.db2.gz CJWSWJWKLPHJRP-UHFFFAOYSA-N 0 0 179.244 2.040 10 30 AEEERN C[C@@H]1[C@H](C=O)CC=CC12CC2 39061961 571875814 /nfs/dbraw/zinc/87/58/14/571875814.db2.gz WCUWUKOBGOQUAX-BDAKNGLRSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)[C@H]1CC[C@H](C=O)C1 39060789 571875856 /nfs/dbraw/zinc/87/58/56/571875856.db2.gz BZVXJRPRPZWNKM-IUCAKERBSA-N 0 0 140.226 2.258 10 30 AEEERN CC#CCCOC(=O)/C(=C/C)CC 308169328 757101827 /nfs/dbraw/zinc/10/18/27/757101827.db2.gz BYDGGXAPOHFBJX-BJMVGYQFSA-N 0 0 180.247 2.299 10 30 AEEERN CC1=CC(=O)[C@H]2[C@@H](C)CC[C@@H]12 39111475 571889205 /nfs/dbraw/zinc/88/92/05/571889205.db2.gz PLLWKYZJQPQVBK-HKPALBBZSA-N 0 0 150.221 2.178 10 30 AEEERN CCON(C[C@H](C#N)C(C)C)C(C)C 401285949 571903581 /nfs/dbraw/zinc/90/35/81/571903581.db2.gz INQZITCNGNHFSN-NSHDSACASA-N 0 0 198.310 2.444 10 30 AEEERN CCCNN=C1CC[C@@H]1C1CC1 393450180 572002136 /nfs/dbraw/zinc/00/21/36/572002136.db2.gz CUZPRHBBYHMSLK-SECBINFHSA-N 0 0 166.268 2.162 10 30 AEEERN C#CCCSCC(=O)C(C)(C)C 308074401 757105273 /nfs/dbraw/zinc/10/52/73/757105273.db2.gz CTEDGJJSKYABPH-UHFFFAOYSA-N 0 0 184.304 2.358 10 30 AEEERN CC#CCCOC(=O)/C(=C\C)CC 308169329 757106681 /nfs/dbraw/zinc/10/66/81/757106681.db2.gz BYDGGXAPOHFBJX-YHYXMXQVSA-N 0 0 180.247 2.299 10 30 AEEERN N#CC/C=C/[C@H]1CCCCO1 687678009 571909693 /nfs/dbraw/zinc/90/96/93/571909693.db2.gz NETNBIKAJSNWON-ZGQKAHPSSA-N 0 0 151.209 2.025 10 30 AEEERN N#CC/C=C/Cc1ccco1 687677895 571910241 /nfs/dbraw/zinc/91/02/41/571910241.db2.gz JFPXUHYDAZMHEV-OWOJBTEDSA-N 0 0 147.177 2.292 10 30 AEEERN O=C1CCC=C1Oc1ccccc1 39215519 571910251 /nfs/dbraw/zinc/91/02/51/571910251.db2.gz UQLUXVTZRCHCGK-UHFFFAOYSA-N 0 0 174.199 2.312 10 30 AEEERN CCCCCCSCC=O 39213346 571910724 /nfs/dbraw/zinc/91/07/24/571910724.db2.gz FWYYDAZHINHUBD-UHFFFAOYSA-N 0 0 160.282 2.499 10 30 AEEERN C#C[C@H](C)C(=O)[C@@H](C)C(C)C 207113691 572020549 /nfs/dbraw/zinc/02/05/49/572020549.db2.gz LVSDTRWTCCVLLT-IUCAKERBSA-N 0 0 152.237 2.117 10 30 AEEERN Cc1csc(N(C)C[C@H](C)C#N)n1 42461294 572021397 /nfs/dbraw/zinc/02/13/97/572021397.db2.gz NFTQVRZCZHDFAC-SSDOTTSWSA-N 0 0 195.291 2.047 10 30 AEEERN CC1(C)CC(=O)C=C(NC2CC2)C1 12477586 571963246 /nfs/dbraw/zinc/96/32/46/571963246.db2.gz WQTSNORXONFLEV-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN C[C@]12C=CC(=O)C[C@H]1CCC2 32134587 571965684 /nfs/dbraw/zinc/96/56/84/571965684.db2.gz VTVAOEWVSQITMX-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN CCCCCCC[C@@H](C)NC=O 113463581 571965736 /nfs/dbraw/zinc/96/57/36/571965736.db2.gz ISVHZYKLCDUVSF-SNVBAGLBSA-N 0 0 171.284 2.481 10 30 AEEERN C#CCC/C=C/C[C@H](C)C=O 238401920 572023749 /nfs/dbraw/zinc/02/37/49/572023749.db2.gz SDPYFZNLNWSLRS-FGEFZZPRSA-N 0 0 150.221 2.181 10 30 AEEERN CC(C)[C@H]1CCC(=O)C=C1[O-] 32215636 571970859 /nfs/dbraw/zinc/97/08/59/571970859.db2.gz YZKXSIJMJMGACZ-MRVPVSSYSA-N 0 0 154.209 2.063 10 30 AEEERN CC[C@H](C#N)NC[C@H](C)C(C)C 81055745 571971629 /nfs/dbraw/zinc/97/16/29/571971629.db2.gz GVQUMRVOFWUDRO-VHSXEESVSA-N 0 0 168.284 2.170 10 30 AEEERN CCOc1cccc(OC)c1CC#N 214632333 571971641 /nfs/dbraw/zinc/97/16/41/571971641.db2.gz HFXLOGWSQHLWQC-UHFFFAOYSA-N 0 0 191.230 2.160 10 30 AEEERN CC(C)Oc1cccc(O)c1CC#N 214632412 571971644 /nfs/dbraw/zinc/97/16/44/571971644.db2.gz ATGKXMNOKHHCTN-UHFFFAOYSA-N 0 0 191.230 2.245 10 30 AEEERN COc1c(C)cc(CC#N)c(O)c1C 214634448 571973494 /nfs/dbraw/zinc/97/34/94/571973494.db2.gz LHMPVVSGXUFVOD-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN COc1c(C)c(C)cc(CC#N)c1O 214632876 571973496 /nfs/dbraw/zinc/97/34/96/571973496.db2.gz AASURPHCDVGNSI-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN CSc1nsc(Cl)c1C#N 32224148 571973841 /nfs/dbraw/zinc/97/38/41/571973841.db2.gz QCEAOTTUBMXSIS-UHFFFAOYSA-N 0 0 190.680 2.390 10 30 AEEERN O=C1C=C[C@H]2C3CCC(CC3)[C@@H]12 32226806 571974201 /nfs/dbraw/zinc/97/42/01/571974201.db2.gz GYYXHLRZXRSOSQ-QAEOJHPCSA-N 0 0 162.232 2.178 10 30 AEEERN C=C1CC[C@H]2[C@@H](C1=O)C2(C)C 32224915 571974228 /nfs/dbraw/zinc/97/42/28/571974228.db2.gz RPCFFYOXVFIOPI-YUMQZZPRSA-N 0 0 150.221 2.178 10 30 AEEERN N#CCc1ccc(C2CCOCC2)o1 214633352 571974261 /nfs/dbraw/zinc/97/42/61/571974261.db2.gz VTAGANPTUDOHGE-UHFFFAOYSA-N 0 0 191.230 2.240 10 30 AEEERN CCC[C@@H](C=O)c1ccco1 32226103 571974267 /nfs/dbraw/zinc/97/42/67/571974267.db2.gz VABVMGKHVDVOBI-QMMMGPOBSA-N 0 0 152.193 2.362 10 30 AEEERN CC(C)[C@H]1CCC(=NN)C[C@H]1C 388398192 571979352 /nfs/dbraw/zinc/97/93/52/571979352.db2.gz KUAZVGCBUIFYNK-PSASIEDQSA-N 0 0 168.284 2.393 10 30 AEEERN O=CC1(C[C@H]2CCCOC2)CCC1 689396486 571979473 /nfs/dbraw/zinc/97/94/73/571979473.db2.gz CZQXZRCZTDOBIL-SNVBAGLBSA-N 0 0 182.263 2.172 10 30 AEEERN CC(C)[C@@H]1CCC(=NN)C[C@H]1C 388398197 571979911 /nfs/dbraw/zinc/97/99/11/571979911.db2.gz KUAZVGCBUIFYNK-SCZZXKLOSA-N 0 0 168.284 2.393 10 30 AEEERN O=CC1(C[C@@H]2CCCOC2)CCC1 689396484 571980003 /nfs/dbraw/zinc/98/00/03/571980003.db2.gz CZQXZRCZTDOBIL-JTQLQIEISA-N 0 0 182.263 2.172 10 30 AEEERN Cc1ccc(C)c(CC(=O)CC#N)c1 41203876 571980692 /nfs/dbraw/zinc/98/06/92/571980692.db2.gz ZVPFPDNWDWSFTG-UHFFFAOYSA-N 0 0 187.242 2.329 10 30 AEEERN Cc1cccc2c1OCC[C@@H]2C#N 41198689 571981060 /nfs/dbraw/zinc/98/10/60/571981060.db2.gz JTJMHAYXKYOIKO-SECBINFHSA-N 0 0 173.215 2.385 10 30 AEEERN CCCC[C@@H]1OC(C)=C(C)C1=O 13380485 571981118 /nfs/dbraw/zinc/98/11/18/571981118.db2.gz MEFNZDDOZYPJRS-VIFPVBQESA-N 0 0 168.236 2.438 10 30 AEEERN Cc1ccc(C[C@H](O)CC#N)c(C)c1 41204575 571981142 /nfs/dbraw/zinc/98/11/42/571981142.db2.gz ADFYONPZVBZIBN-GFCCVEGCSA-N 0 0 189.258 2.121 10 30 AEEERN CC[C@H](C#N)N(C)CC1CCCC1 82492384 572043697 /nfs/dbraw/zinc/04/36/97/572043697.db2.gz OORHSUFXYLMGLU-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1ccc([C@@H](O)CCC#N)cc1 41199132 571981178 /nfs/dbraw/zinc/98/11/78/571981178.db2.gz PDKHHGIJBIRWOT-NSHDSACASA-N 0 0 175.231 2.332 10 30 AEEERN C=CC[C@H](C)Nc1ccc(OC)cn1 234873152 571981193 /nfs/dbraw/zinc/98/11/93/571981193.db2.gz CLUWUPUWADJFJE-VIFPVBQESA-N 0 0 192.262 2.467 10 30 AEEERN CC[C@H](C#N)c1ccc2c(c1)OCO2 41204428 571981221 /nfs/dbraw/zinc/98/12/21/571981221.db2.gz OZXMVLIWICHEKE-MRVPVSSYSA-N 0 0 189.214 2.432 10 30 AEEERN N#C[C@@H]1CCCN1C[C@@H]1CC=CCC1 402240617 757152250 /nfs/dbraw/zinc/15/22/50/757152250.db2.gz MFEDHZGWFHXBSA-NEPJUHHUSA-N 0 0 190.290 2.331 10 30 AEEERN Cc1ccc([C@@H](C#N)CN(C)C)cc1 41204296 571981233 /nfs/dbraw/zinc/98/12/33/571981233.db2.gz GNOGPSAEFWYKBD-LBPRGKRZSA-N 0 0 188.274 2.164 10 30 AEEERN C[C@](N)(C#N)Cc1cccc(Cl)c1 41206914 571982601 /nfs/dbraw/zinc/98/26/01/571982601.db2.gz RCNDFBBXJREZJJ-SNVBAGLBSA-N 0 0 194.665 2.123 10 30 AEEERN CCO/C=C(/C)C(=O)c1ccco1 82556891 572047179 /nfs/dbraw/zinc/04/71/79/572047179.db2.gz DJOQKAGJIWSPOM-FPLPWBNLSA-N 0 0 180.203 2.403 10 30 AEEERN CC1(C)[C@H]2CCC(=O)C=C[C@H]21 196433976 571983933 /nfs/dbraw/zinc/98/39/33/571983933.db2.gz KWJOKSSVHGTBHD-BDAKNGLRSA-N 0 0 150.221 2.178 10 30 AEEERN C#CCCCn1cc(C2CC2)cn1 402026902 757157533 /nfs/dbraw/zinc/15/75/33/757157533.db2.gz WFJYDWTYWBGZKN-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C=CCCC(=O)Nc1cccnc1F 401514800 757158097 /nfs/dbraw/zinc/15/80/97/757158097.db2.gz NZOZCZJGIMHDFM-UHFFFAOYSA-N 0 0 194.209 2.125 10 30 AEEERN C=CC[C@H](NN)c1c(C)cccc1C 235808236 571984849 /nfs/dbraw/zinc/98/48/49/571984849.db2.gz YUSDNUBXODKZAO-NSHDSACASA-N 0 0 190.290 2.384 10 30 AEEERN N#C[C@@H]1CCCN1C[C@H]1CC=CCC1 402240640 757160473 /nfs/dbraw/zinc/16/04/73/757160473.db2.gz MFEDHZGWFHXBSA-RYUDHWBXSA-N 0 0 190.290 2.331 10 30 AEEERN C#CCCn1cc(C2CCC2)cn1 402004778 757161742 /nfs/dbraw/zinc/16/17/42/757161742.db2.gz IAAJOLGQNTYZGU-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C=C[C@@H]1CCOc2cccc(O)c21 196163128 571986509 /nfs/dbraw/zinc/98/65/09/571986509.db2.gz ACGKGQVRQUTKIT-MRVPVSSYSA-N 0 0 176.215 2.444 10 30 AEEERN C=CCCCCNc1nccnc1F 402604874 757166544 /nfs/dbraw/zinc/16/65/44/757166544.db2.gz TXQDNUBSZQTHTL-UHFFFAOYSA-N 0 0 195.241 2.384 10 30 AEEERN CC[C@H](C)/C(Cl)=N/O 234001904 571986964 /nfs/dbraw/zinc/98/69/64/571986964.db2.gz GPPYRMAITPCSGT-CFISNRRBSA-N 0 0 135.594 2.059 10 30 AEEERN CC(C)C[C@H](C)C[C@@](C)(O)CC=O 300851301 571986980 /nfs/dbraw/zinc/98/69/80/571986980.db2.gz FIXGAVXGOAGRJE-QWRGUYRKSA-N 0 0 186.295 2.399 10 30 AEEERN CC(C)C[C@@H](C)C[C@](C)(O)CC=O 300851295 571986994 /nfs/dbraw/zinc/98/69/94/571986994.db2.gz FIXGAVXGOAGRJE-GHMZBOCLSA-N 0 0 186.295 2.399 10 30 AEEERN C=CCOC(=O)Nc1ccc(O)cc1 196164266 571987593 /nfs/dbraw/zinc/98/75/93/571987593.db2.gz DRNGHJOZUNOFEF-UHFFFAOYSA-N 0 0 193.202 2.127 10 30 AEEERN C=C[C@H]1[C@@H](C)C(=O)CC1(C)C 139954305 571987614 /nfs/dbraw/zinc/98/76/14/571987614.db2.gz UVBIZMHDIRGIHW-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN C#CC1=C(C)[C@@H](O)C[C@@H](C(=C)C)C1 140019478 571990293 /nfs/dbraw/zinc/99/02/93/571990293.db2.gz QBLFPKGWPKIVSI-RYUDHWBXSA-N 0 0 176.259 2.283 10 30 AEEERN CO[C@H](/C=C(/C)C(C)=O)C(C)C 218051782 571990304 /nfs/dbraw/zinc/99/03/04/571990304.db2.gz CTVUMGBPEMPRHM-BJPMOSCESA-N 0 0 170.252 2.193 10 30 AEEERN CC(C)(C)N[C@]1(C#N)CC1(C)C 139950166 571990331 /nfs/dbraw/zinc/99/03/31/571990331.db2.gz WJIWNGPJGNWQCG-JTQLQIEISA-N 0 0 166.268 2.067 10 30 AEEERN CN(Cc1ccco1)C(C)(C)C#N 336552351 571985591 /nfs/dbraw/zinc/98/55/91/571985591.db2.gz LXHQFFXVJPJUDW-UHFFFAOYSA-N 0 0 178.235 2.014 10 30 AEEERN CC(C)c1ccc(CO)cc1C#N 165068917 571992264 /nfs/dbraw/zinc/99/22/64/571992264.db2.gz UCFADGJZYBWHDU-UHFFFAOYSA-N 0 0 175.231 2.174 10 30 AEEERN CCCN[C@H](C#N)[C@@H]1CC=CCC1 36336230 572060160 /nfs/dbraw/zinc/06/01/60/572060160.db2.gz SHLIJAPWSRKOHH-GHMZBOCLSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCC(=O)C1=CCC[C@H](C)O1 140036801 571992271 /nfs/dbraw/zinc/99/22/71/571992271.db2.gz BVYUXYDGBGTDAB-QMMMGPOBSA-N 0 0 166.220 2.214 10 30 AEEERN N#CCCCOc1cncc(Cl)c1 81698885 571992285 /nfs/dbraw/zinc/99/22/85/571992285.db2.gz DXWWMAIDRJTPDT-UHFFFAOYSA-N 0 0 196.637 2.418 10 30 AEEERN CC1=CO[C@@H](C(C)C)[C@@H](C)C1=O 39104295 571992931 /nfs/dbraw/zinc/99/29/31/571992931.db2.gz GWJORPKOMIUMKU-WPRPVWTQSA-N 0 0 168.236 2.150 10 30 AEEERN C=CCC(=O)C1=CCC[C@@H](C)O1 140036667 571993008 /nfs/dbraw/zinc/99/30/08/571993008.db2.gz BVYUXYDGBGTDAB-MRVPVSSYSA-N 0 0 166.220 2.214 10 30 AEEERN C#CC[C@H](C)NC(=O)[C@@H](C)CCCC 300863973 571993301 /nfs/dbraw/zinc/99/33/01/571993301.db2.gz CVELATMKLUXWHC-QWRGUYRKSA-N 0 0 195.306 2.341 10 30 AEEERN CCC1=C2CCC[C@@H]2CC1=O 140011825 571994242 /nfs/dbraw/zinc/99/42/42/571994242.db2.gz VNTTXUFIFHWPAI-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN C#CC[C@@H](C)NC(=O)[C@H](C)CCCC 300863970 571994282 /nfs/dbraw/zinc/99/42/82/571994282.db2.gz CVELATMKLUXWHC-GHMZBOCLSA-N 0 0 195.306 2.341 10 30 AEEERN CC[C@@H]1C(=O)C=C2CCC[C@H]21 139994155 571994341 /nfs/dbraw/zinc/99/43/41/571994341.db2.gz PDYTYNXOXFOQHR-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN CC[C@H](CC#N)Nc1ccn(CC)n1 300873355 571995377 /nfs/dbraw/zinc/99/53/77/571995377.db2.gz LIANQNASVUQMSQ-SECBINFHSA-N 0 0 192.266 2.007 10 30 AEEERN CC(C)/N=C1\OC(=O)c2ccccc21 114072244 571995378 /nfs/dbraw/zinc/99/53/78/571995378.db2.gz WSYDPDWUULVOSE-BENRWUELSA-N 0 0 189.214 2.012 10 30 AEEERN O=C[C@@H]1CC=C[C@@H]2CCC[C@@H]12 34566832 572095606 /nfs/dbraw/zinc/09/56/06/572095606.db2.gz DVHNTRZYIBVUCZ-KXUCPTDWSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCCC/C=C/[C@H](C)O 207050579 571998052 /nfs/dbraw/zinc/99/80/52/571998052.db2.gz XARJQOILDGZFLH-FLOXNTQESA-N 0 0 140.226 2.280 10 30 AEEERN CC(C)[C@H]1O[C@@H]1C(C)C 39131805 571998054 /nfs/dbraw/zinc/99/80/54/571998054.db2.gz IKASFLJHSHDRIQ-HTQZYQBOSA-N 0 0 128.215 2.066 10 30 in-vitro AEEERN C=C[C@H](C)Oc1ccccc1CCO 235570960 571998304 /nfs/dbraw/zinc/99/83/04/571998304.db2.gz SVAQPQZRXPKYNT-JTQLQIEISA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@H]1C[C@@H](CC(C)C)NC1=O 238159150 571998750 /nfs/dbraw/zinc/99/87/50/571998750.db2.gz LYKPENKUFXCZFF-VHSXEESVSA-N 0 0 181.279 2.113 10 30 AEEERN CCC(=O)C=C1SCCS1 207046262 571998778 /nfs/dbraw/zinc/99/87/78/571998778.db2.gz UCKHQDDGSIRGFT-UHFFFAOYSA-N 0 0 174.290 2.287 10 30 AEEERN C[C@H]1CC(=O)C=C(c2cccs2)N1 13976499 571998780 /nfs/dbraw/zinc/99/87/80/571998780.db2.gz GGEIFIDWNQGZHD-ZETCQYMHSA-N 0 0 193.271 2.040 10 30 AEEERN N#CCCCOc1cccc(O)c1 34306536 572004172 /nfs/dbraw/zinc/00/41/72/572004172.db2.gz BYSKQXSCNGHGIH-UHFFFAOYSA-N 0 0 177.203 2.075 10 30 AEEERN C=Cc1cc(C#N)c(OC)cc1F 219587975 572001461 /nfs/dbraw/zinc/00/14/61/572001461.db2.gz USMCZLGPNNDMHP-UHFFFAOYSA-N 0 0 177.178 2.349 10 30 AEEERN CC[C@@H](C)[S@](=O)[C@@H]1CCC[C@@H]1C#N 82788490 572111177 /nfs/dbraw/zinc/11/11/77/572111177.db2.gz CSAJYGCTFTUWTC-VWMGYNLJSA-N 0 0 199.319 2.226 10 30 AEEERN CC[C@@H](C)[S@@](=O)[C@@H]1CCC[C@@H]1C#N 82788485 572111180 /nfs/dbraw/zinc/11/11/80/572111180.db2.gz CSAJYGCTFTUWTC-PRFIWBCESA-N 0 0 199.319 2.226 10 30 AEEERN CC[C@H]1CC[C@@H](C#N)[C@H]([S@](C)=O)C1 82789505 572111184 /nfs/dbraw/zinc/11/11/84/572111184.db2.gz IJEIQUMMIYXWJR-QISWUMQESA-N 0 0 199.319 2.083 10 30 AEEERN CC[C@@H](CC#N)[S@@](=O)CC(C)C 82788975 572111228 /nfs/dbraw/zinc/11/12/28/572111228.db2.gz QFTMGHQYLVNUDQ-JOYOIKCWSA-N 0 0 187.308 2.083 10 30 AEEERN C=CC[C@@H](CCCCC)C(N)=O 238231897 572003861 /nfs/dbraw/zinc/00/38/61/572003861.db2.gz CUMRQVXWSOSHCV-VIFPVBQESA-N 0 0 169.268 2.244 10 30 AEEERN CC(C)CC[C@H](C)N[C@H](C)C#N 68944689 572006045 /nfs/dbraw/zinc/00/60/45/572006045.db2.gz ULTGUPXWZKHNRQ-VHSXEESVSA-N 0 0 168.284 2.313 10 30 AEEERN C#CCCCC(=O)c1cnc(C)s1 235814618 572006357 /nfs/dbraw/zinc/00/63/57/572006357.db2.gz RDLVTTKPHZKMBG-UHFFFAOYSA-N 0 0 193.271 2.438 10 30 AEEERN N#Cc1ncccc1Nc1ccccn1 687697633 572007577 /nfs/dbraw/zinc/00/75/77/572007577.db2.gz LBDSTYHAWWMWNH-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN C=C(C)C[C@@]1(F)CCCC1=O 221311565 572007596 /nfs/dbraw/zinc/00/75/96/572007596.db2.gz RZLKDCBGWTVPFE-VIFPVBQESA-N 0 0 156.200 2.414 10 30 AEEERN CCCSC[C@@](C#N)(NC)C1CC1 68908047 572007608 /nfs/dbraw/zinc/00/76/08/572007608.db2.gz HMDNUTQHGVHBQZ-SNVBAGLBSA-N 0 0 198.335 2.021 10 30 AEEERN CSC[C@@](C#N)(NC(C)C)C1CC1 68909859 572007680 /nfs/dbraw/zinc/00/76/80/572007680.db2.gz BJPPSSUIDRZASP-SNVBAGLBSA-N 0 0 198.335 2.020 10 30 AEEERN C[C@@]1(O)CCC[C@]2(C)CCC(=O)C=C12 14511899 572008149 /nfs/dbraw/zinc/00/81/49/572008149.db2.gz NGTFVDVHOJMAJY-VXGBXAGGSA-N 0 0 194.274 2.217 10 30 biogenic AEEERN CC(C)(C)SC[C@@](N)(C#N)C1CC1 68907990 572008165 /nfs/dbraw/zinc/00/81/65/572008165.db2.gz VFAJIJOQUHHGOT-JTQLQIEISA-N 0 0 198.335 2.149 10 30 AEEERN C#CCCOc1cccc(COC)c1 69637848 572128880 /nfs/dbraw/zinc/12/88/80/572128880.db2.gz ROYBQUQLOBFSHV-UHFFFAOYSA-N 0 0 190.242 2.235 10 30 AEEERN Cc1ccc2n[nH]c(CCC#N)c2c1 219650421 572014995 /nfs/dbraw/zinc/01/49/95/572014995.db2.gz DSFHVRFLZSKAMA-UHFFFAOYSA-N 0 0 185.230 2.328 10 30 AEEERN C=C1C(C)=CC(=O)CC1(C)C 14822637 572020262 /nfs/dbraw/zinc/02/02/62/572020262.db2.gz MCGQFKNFKWPWAA-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CCOCCNc1ccccc1C#N 35358941 572022376 /nfs/dbraw/zinc/02/23/76/572022376.db2.gz XYHZCQCIYJYYOT-UHFFFAOYSA-N 0 0 190.246 2.007 10 30 AEEERN CCn1nc2ccc(F)cc2c1C#N 219690169 572023378 /nfs/dbraw/zinc/02/33/78/572023378.db2.gz NFUQGSNRKXQRBW-UHFFFAOYSA-N 0 0 189.193 2.067 10 30 AEEERN C[C@H](Oc1ncccc1C#N)C1CC1 585654063 757246366 /nfs/dbraw/zinc/24/63/66/757246366.db2.gz CDXACDINPBFAAU-QMMMGPOBSA-N 0 0 188.230 2.131 10 30 AEEERN C#CCCC(=O)Cc1cccs1 82497371 572031443 /nfs/dbraw/zinc/03/14/43/572031443.db2.gz GMAZEZGHZKBQFG-UHFFFAOYSA-N 0 0 178.256 2.273 10 30 AEEERN C#CCC[C@@H](O)Cc1ccc(C)cc1 82497518 572031459 /nfs/dbraw/zinc/03/14/59/572031459.db2.gz AHHVPJRGWCXHOK-CYBMUJFWSA-N 0 0 188.270 2.312 10 30 AEEERN C[C@@H](Oc1cc(C#N)ccn1)C1CC1 585655117 757250683 /nfs/dbraw/zinc/25/06/83/757250683.db2.gz SHQMBXJHRINBOR-MRVPVSSYSA-N 0 0 188.230 2.131 10 30 AEEERN C#CCCC(=O)CCC(C)C 82497352 572031489 /nfs/dbraw/zinc/03/14/89/572031489.db2.gz YPFXPWWXPQHFSB-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN C=CC[S@@](=O)Cc1ccccc1F 526855922 572035005 /nfs/dbraw/zinc/03/50/05/572035005.db2.gz MBOIMZXRBKCQEM-CYBMUJFWSA-N 0 0 198.262 2.260 10 30 AEEERN C[C@@H](Oc1ncccc1C#N)C1CC1 585654062 757252915 /nfs/dbraw/zinc/25/29/15/757252915.db2.gz CDXACDINPBFAAU-MRVPVSSYSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@H](Oc1cnccc1C#N)C1CC1 585652812 757253874 /nfs/dbraw/zinc/25/38/74/757253874.db2.gz XAUQAONUOCGODY-QMMMGPOBSA-N 0 0 188.230 2.131 10 30 AEEERN C=C(C)C[S@@](=O)CCC(C)C 526886129 572035074 /nfs/dbraw/zinc/03/50/74/572035074.db2.gz YABTUJFXNSQRJC-NSHDSACASA-N 0 0 174.309 2.357 10 30 AEEERN C[C@H](Oc1cc(C#N)ccn1)C1CC1 585655118 757254162 /nfs/dbraw/zinc/25/41/62/757254162.db2.gz SHQMBXJHRINBOR-QMMMGPOBSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@@H](Oc1cnccc1C#N)C1CC1 585652802 757256276 /nfs/dbraw/zinc/25/62/76/757256276.db2.gz XAUQAONUOCGODY-MRVPVSSYSA-N 0 0 188.230 2.131 10 30 AEEERN CC(=Nn1cccc1)c1cncs1 379383201 572048455 /nfs/dbraw/zinc/04/84/55/572048455.db2.gz KGFXFTGZNRNBNC-UHFFFAOYSA-N 0 0 191.259 2.217 10 30 AEEERN N/N=C/c1ccc(Cl)cc1Cl 34070730 572051373 /nfs/dbraw/zinc/05/13/73/572051373.db2.gz SBHIPXJVXKKBGK-NYYWCZLTSA-N 0 0 189.045 2.286 10 30 AEEERN CC[C@H](CC(F)F)C[C@](C)(O)C=O 687887716 572051397 /nfs/dbraw/zinc/05/13/97/572051397.db2.gz BBFYCVSHYUFIIU-APPZFPTMSA-N 0 0 194.221 2.008 10 30 AEEERN O=C1CCC=C1Nc1ccccc1 34077976 572053153 /nfs/dbraw/zinc/05/31/53/572053153.db2.gz ALPNLJQWRISZQX-UHFFFAOYSA-N 0 0 173.215 2.345 10 30 AEEERN O=C1C=CCC2=C[C@H]3CC=C1[C@@H]23 34115371 572055586 /nfs/dbraw/zinc/05/55/86/572055586.db2.gz ILXGCKZRZZTATK-KCJUWKMLSA-N 0 0 158.200 2.018 10 30 AEEERN C#C[C@@H]1C(C)(C)CC(=O)C1(C)C 34108972 572055620 /nfs/dbraw/zinc/05/56/20/572055620.db2.gz HEHADEHEKWSJLX-MRVPVSSYSA-N 0 0 164.248 2.261 10 30 AEEERN C=C1C[C@@H](CCO)C[C@@H](C)C1 196452320 572055633 /nfs/dbraw/zinc/05/56/33/572055633.db2.gz AGZOEYAJDPVYOB-VHSXEESVSA-N 0 0 154.253 2.361 10 30 AEEERN CC(C)C(C#N)C(C)C 34128683 572058418 /nfs/dbraw/zinc/05/84/18/572058418.db2.gz FSCFMUWAEFAUJX-UHFFFAOYSA-N 0 0 125.215 2.438 10 30 AEEERN C[C@H](C=O)c1c[nH]c2ccccc12 34183952 572062430 /nfs/dbraw/zinc/06/24/30/572062430.db2.gz KAZDKCBXEUCJQS-MRVPVSSYSA-N 0 0 173.215 2.470 10 30 AEEERN CSC1(CNCC#N)CCCCC1 235095670 572062436 /nfs/dbraw/zinc/06/24/36/572062436.db2.gz CQAYJIMNIBRYPG-UHFFFAOYSA-N 0 0 198.335 2.165 10 30 AEEERN CCN[C@@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860165 572156747 /nfs/dbraw/zinc/15/67/47/572156747.db2.gz MWLFFTWNTGJXAS-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCC1=C[C@@H](C)CC1=O 34264679 572067378 /nfs/dbraw/zinc/06/73/78/572067378.db2.gz HRGJWTIYDGGNFD-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN C=CC[C@@H](C[C@H](C)CC(C)C)NN 300925622 572069426 /nfs/dbraw/zinc/06/94/26/572069426.db2.gz NGHMLWPIHKLCER-MNOVXSKESA-N 0 0 184.327 2.467 10 30 AEEERN C[C@]12CCCC(=O)C1=CC(=O)CC2 34326333 572072988 /nfs/dbraw/zinc/07/29/88/572072988.db2.gz KMMCFTRMDWZOCX-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN CC(C)(C#N)CCCOC1CC1 713210587 572083411 /nfs/dbraw/zinc/08/34/11/572083411.db2.gz MBQSIXHWUNCDTF-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1C=CC[C@]12C=CC(=O)CC2 34479014 572085301 /nfs/dbraw/zinc/08/53/01/572085301.db2.gz CYNVYQAOSFKXTP-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN CC(C)(C=O)Oc1cccc(F)c1 34496563 572086143 /nfs/dbraw/zinc/08/61/43/572086143.db2.gz XRJBJHBLJOFCCG-UHFFFAOYSA-N 0 0 182.194 2.182 10 30 AEEERN C=C(C)[C@]1(CC=O)CC(=O)C[C@H]1C 34484516 572086153 /nfs/dbraw/zinc/08/61/53/572086153.db2.gz WYTNGECXMLGWRC-KOLCDFICSA-N 0 0 180.247 2.137 10 30 AEEERN C=CCCNc1ccc([C@H](C)O)cn1 686077466 757302017 /nfs/dbraw/zinc/30/20/17/757302017.db2.gz PRUXVZXFNBZTLY-VIFPVBQESA-N 0 0 192.262 2.123 10 30 AEEERN C=C[C@H](C)Nc1ccc([C@H](C)O)cn1 686077279 757302269 /nfs/dbraw/zinc/30/22/69/757302269.db2.gz KRPBHZKKDZOCMG-IUCAKERBSA-N 0 0 192.262 2.121 10 30 AEEERN C=CCCNc1ccc([C@@H](C)O)cn1 686077465 757303788 /nfs/dbraw/zinc/30/37/88/757303788.db2.gz PRUXVZXFNBZTLY-SECBINFHSA-N 0 0 192.262 2.123 10 30 AEEERN C=C[C@@H](C)Nc1ccc([C@H](C)O)cn1 686077165 757305616 /nfs/dbraw/zinc/30/56/16/757305616.db2.gz KRPBHZKKDZOCMG-BDAKNGLRSA-N 0 0 192.262 2.121 10 30 AEEERN C=C[C@H](C)Nc1ccc([C@@H](C)O)cn1 686077171 757306214 /nfs/dbraw/zinc/30/62/14/757306214.db2.gz KRPBHZKKDZOCMG-DTWKUNHWSA-N 0 0 192.262 2.121 10 30 AEEERN C=C[C@@H](C)Nc1ccc([C@@H](C)O)cn1 686077281 757307295 /nfs/dbraw/zinc/30/72/95/757307295.db2.gz KRPBHZKKDZOCMG-RKDXNWHRSA-N 0 0 192.262 2.121 10 30 AEEERN C#CCCCCCN(C)CC(F)F 686676673 757308838 /nfs/dbraw/zinc/30/88/38/757308838.db2.gz MFHGYKUDIWJIHY-UHFFFAOYSA-N 0 0 189.249 2.377 10 30 AEEERN C#CCCCCCn1ccnc1C 686675277 757309679 /nfs/dbraw/zinc/30/96/79/757309679.db2.gz MSVLWIXEOMUXRX-UHFFFAOYSA-N 0 0 176.263 2.385 10 30 AEEERN C#CCCCCCn1ccnc1 686675819 757309705 /nfs/dbraw/zinc/30/97/05/757309705.db2.gz HAKKSASEROUACC-UHFFFAOYSA-N 0 0 162.236 2.077 10 30 AEEERN C#CCCOc1ccc(C)nc1CC 686892240 757310818 /nfs/dbraw/zinc/31/08/18/757310818.db2.gz CCDJJPCPAFWEGY-UHFFFAOYSA-N 0 0 189.258 2.355 10 30 AEEERN CCCC[C@H](O)[C@@H]1O[C@@H]1CCC 112999436 572197209 /nfs/dbraw/zinc/19/72/09/572197209.db2.gz DJDHMFNSQCXWPS-AEJSXWLSSA-N 0 0 172.268 2.105 10 30 AEEERN CC1(C)CCCC=CC1=O 34545592 572092646 /nfs/dbraw/zinc/09/26/46/572092646.db2.gz SWXOTQUVIIWLAR-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CCC[C@@H](C)C[C@](C)(O)CC=O 84996392 572094979 /nfs/dbraw/zinc/09/49/79/572094979.db2.gz DXDXQIJMHVUMSB-NXEZZACHSA-N 0 0 172.268 2.153 10 30 AEEERN CCOc1ccccc1C[C@@H](C)C=O 82762974 572100556 /nfs/dbraw/zinc/10/05/56/572100556.db2.gz UPTFSJKTDDGAOO-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN C=C1[C@H]2CC[C@H](C2)[C@@]1(C)C=O 34602118 572100569 /nfs/dbraw/zinc/10/05/69/572100569.db2.gz WMBWCNHXNVANAG-AEJSXWLSSA-N 0 0 150.221 2.178 10 30 AEEERN CON=C1CCC[C@@H](SC)C1 687827801 757321391 /nfs/dbraw/zinc/32/13/91/757321391.db2.gz FBYHLRPPWFINQZ-MRVPVSSYSA-N 0 0 173.281 2.294 10 30 AEEERN CCOc1ccc(C[C@H](C)C=O)cc1 82762779 572101275 /nfs/dbraw/zinc/10/12/75/572101275.db2.gz YTMHVQKSDNZTRY-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN CON=C1CCC[C@H](SC)C1 687827802 757322532 /nfs/dbraw/zinc/32/25/32/757322532.db2.gz FBYHLRPPWFINQZ-QMMMGPOBSA-N 0 0 173.281 2.294 10 30 AEEERN C=C1[C@H]2CC[C@H](C2)[C@]1(C)C=O 34602117 572101355 /nfs/dbraw/zinc/10/13/55/572101355.db2.gz WMBWCNHXNVANAG-IVZWLZJFSA-N 0 0 150.221 2.178 10 30 AEEERN C=CC[C@H]1C=CC(=O)CCC1 34625749 572103290 /nfs/dbraw/zinc/10/32/90/572103290.db2.gz TUDQYVPDEDOZNI-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CCCC[C@H]1CC(=O)C=C(C)O1 34638658 572103346 /nfs/dbraw/zinc/10/33/46/572103346.db2.gz SZHLBOOESDHLLK-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN CCC[C@H](C=O)C(C)C 34621587 572103452 /nfs/dbraw/zinc/10/34/52/572103452.db2.gz KBCJIUFFVMPKHR-MRVPVSSYSA-N 0 0 128.215 2.258 10 30 AEEERN O=C[C@@H]1CC[C@H]2CCC[C@@H]12 34753336 572108249 /nfs/dbraw/zinc/10/82/49/572108249.db2.gz LHOQCEAXPLQECM-HRDYMLBCSA-N 0 0 138.210 2.012 10 30 AEEERN C=C[C@H]1NC(=O)O[C@@H]1C1CCCCC1 196190282 572120884 /nfs/dbraw/zinc/12/08/84/572120884.db2.gz BCMDVJYMPFKXAF-NXEZZACHSA-N 0 0 195.262 2.230 10 30 AEEERN O=CC1C[C@@H]2CCC[C@H]2C1 18425569 572156104 /nfs/dbraw/zinc/15/61/04/572156104.db2.gz ZAOKSGRIAGOZJA-IUCAKERBSA-N 0 0 138.210 2.012 10 30 AEEERN C#CCN(C(=O)/C(C)=C/CC)C(C)C 688826435 757340214 /nfs/dbraw/zinc/34/02/14/757340214.db2.gz GPXBXRIEELJJPM-DHZHZOJOSA-N 0 0 193.290 2.213 10 30 AEEERN C[C@@H]1CC(OCC=O)C[C@H](C)C1 82834499 572132429 /nfs/dbraw/zinc/13/24/29/572132429.db2.gz OSDUOVXBOAQPRQ-ULKQDVFKSA-N 0 0 170.252 2.027 10 30 AEEERN C#CCN(C(=O)C(C)C)C1CCCC1 688885761 757342779 /nfs/dbraw/zinc/34/27/79/757342779.db2.gz HWDWUESFSCZLNJ-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(C(=O)CCCCC)C(C)C 688826179 757343423 /nfs/dbraw/zinc/34/34/23/757343423.db2.gz FMCOBTSAUZKMLM-UHFFFAOYSA-N 0 0 195.306 2.437 10 30 AEEERN C#CCN(C(=O)CCC1CC1)C(C)C 688843415 757343986 /nfs/dbraw/zinc/34/39/86/757343986.db2.gz FUXXSCIMTDXFQS-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(C(=O)CCC)C1CCCC1 688885962 757345187 /nfs/dbraw/zinc/34/51/87/757345187.db2.gz JCXMKHYOHXVJSK-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCN(C(=O)/C(C)=C\CC)C(C)C 688826437 757346704 /nfs/dbraw/zinc/34/67/04/757346704.db2.gz GPXBXRIEELJJPM-FLIBITNWSA-N 0 0 193.290 2.213 10 30 AEEERN C=CCCC(=O)[C@@H]1CCO[C@H]1CC 300374633 572141545 /nfs/dbraw/zinc/14/15/45/572141545.db2.gz IFBDWJZYDRZXOC-ONGXEEELSA-N 0 0 182.263 2.337 10 30 AEEERN C=C1[C@@H]2C[C@@H](CC[C@@H]2O)C1(C)C 307455586 572504002 /nfs/dbraw/zinc/50/40/02/572504002.db2.gz XIWLASOXGRVYNP-UTLUCORTSA-N 0 0 166.264 2.360 10 30 AEEERN C[C@H]1C[C@H](OCCC=O)CC[C@H]1C 82841002 572149978 /nfs/dbraw/zinc/14/99/78/572149978.db2.gz RHRWTRDBTBODHP-OUAUKWLOSA-N 0 0 184.279 2.417 10 30 AEEERN C=C/C=C/CC[C@@H](O)C(=C)OCC 238275837 572506464 /nfs/dbraw/zinc/50/64/64/572506464.db2.gz XMFWECNGKNJDTM-XUIVZRPNSA-N 0 0 182.263 2.420 10 30 AEEERN C=CCCCNc1cc(C)nc(F)n1 690817995 757356726 /nfs/dbraw/zinc/35/67/26/757356726.db2.gz NIVDUFPVONXFEC-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN C#CC[C@]12CCCC1=C[C@@H](O)CC2 307612313 572660410 /nfs/dbraw/zinc/66/04/10/572660410.db2.gz IBMNQWCZKNURIZ-NWDGAFQWSA-N 0 0 176.259 2.261 10 30 AEEERN C=C(CC)CNc1cc(C)nc(F)n1 690780368 757358238 /nfs/dbraw/zinc/35/82/38/757358238.db2.gz SVLQDVCBQQAUBQ-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN C[C@H]1CC[C@H](C)[C@@](C#N)(N(C)C)C1 82861649 572157491 /nfs/dbraw/zinc/15/74/91/572157491.db2.gz AOCGNUXZLZOWFS-GARJFASQSA-N 0 0 180.295 2.266 10 30 AEEERN C=C(C)CCNc1cc(C)nc(F)n1 690753846 757358624 /nfs/dbraw/zinc/35/86/24/757358624.db2.gz BILMKCYEQXFZGQ-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN C[C@H]1CCC[C@](C#N)(N(C)C)[C@@H]1C 82861655 572158075 /nfs/dbraw/zinc/15/80/75/572158075.db2.gz XNDAKSNFNOSMJJ-HBNTYKKESA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H](CC#N)[NH2+]CC1CC2(CCC2)C1 691880941 757361333 /nfs/dbraw/zinc/36/13/33/757361333.db2.gz LZMGCHAWQMESCC-SNVBAGLBSA-N 0 0 192.306 2.458 10 30 AEEERN C=CCOCCCNc1nccs1 691845515 757365774 /nfs/dbraw/zinc/36/57/74/757365774.db2.gz BQCWHWRAIHFPLF-UHFFFAOYSA-N 0 0 198.291 2.148 10 30 AEEERN C[C@@H](CC#N)[NH2+]CC1CC2(CCC2)C1 691880940 757366301 /nfs/dbraw/zinc/36/63/01/757366301.db2.gz LZMGCHAWQMESCC-JTQLQIEISA-N 0 0 192.306 2.458 10 30 AEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)OC 692207056 757369029 /nfs/dbraw/zinc/36/90/29/757369029.db2.gz ZNLIWXVVIQWEHO-ZJUUUORDSA-N 0 0 197.278 2.477 10 30 AEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)OC 692207051 757369546 /nfs/dbraw/zinc/36/95/46/757369546.db2.gz ZNLIWXVVIQWEHO-UWVGGRQHSA-N 0 0 197.278 2.477 10 30 AEEERN COc1ccc(CCC=O)cc1Cl 71507764 572164162 /nfs/dbraw/zinc/16/41/62/572164162.db2.gz ICVFHXRZLAOUEW-UHFFFAOYSA-N 0 0 198.649 2.480 10 30 AEEERN C#C[C@@H]1CCCN(C(=O)CCCC)C1 692382390 757370936 /nfs/dbraw/zinc/37/09/36/757370936.db2.gz XWKYRBGQDLUCIN-LLVKDONJSA-N 0 0 193.290 2.048 10 30 AEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)OC 692207049 757372319 /nfs/dbraw/zinc/37/23/19/757372319.db2.gz ZNLIWXVVIQWEHO-NXEZZACHSA-N 0 0 197.278 2.477 10 30 AEEERN C#C[C@H]1CCCN(C(=O)CCCC)C1 692382392 757372874 /nfs/dbraw/zinc/37/28/74/757372874.db2.gz XWKYRBGQDLUCIN-NSHDSACASA-N 0 0 193.290 2.048 10 30 AEEERN CN(CC#N)CC1CC2(CCC2)C1 691963860 757373836 /nfs/dbraw/zinc/37/38/36/757373836.db2.gz XCGPOUWPSCFZHF-UHFFFAOYSA-N 0 0 178.279 2.022 10 30 AEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)OC 692207053 757374262 /nfs/dbraw/zinc/37/42/62/757374262.db2.gz ZNLIWXVVIQWEHO-VHSXEESVSA-N 0 0 197.278 2.477 10 30 AEEERN C=C[C@@]12CCC[C@@H](C1=O)[C@H]2C 306528130 572676444 /nfs/dbraw/zinc/67/64/44/572676444.db2.gz ZRBFPEFKODQYPP-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN CCCCCCN[C@@H](C#N)CC 70019797 572166369 /nfs/dbraw/zinc/16/63/69/572166369.db2.gz QRYJAOGINGGFBF-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN C#CCCCCC(=O)N(C)CC1CC1 692858819 757376564 /nfs/dbraw/zinc/37/65/64/757376564.db2.gz ZBPXSDGHVSAVNL-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C#CC(=O)NCC(C)(C)CCCCC 692860314 757377098 /nfs/dbraw/zinc/37/70/98/757377098.db2.gz DNYWFDWJILLRKD-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C#CCCCCC(=O)N1CC[C@H](C)C1 692890264 757380773 /nfs/dbraw/zinc/38/07/73/757380773.db2.gz BASLWVHXWIZKKN-NSHDSACASA-N 0 0 193.290 2.048 10 30 AEEERN C#CC(=O)NCCCCCCC(C)C 692920713 757381186 /nfs/dbraw/zinc/38/11/86/757381186.db2.gz GMHJZDNHGPZQEN-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C#CCCCCC(=O)N[C@H]1CC[C@H]1C 692870730 757381600 /nfs/dbraw/zinc/38/16/00/757381600.db2.gz LPMQVMMMXTZHAN-MNOVXSKESA-N 0 0 193.290 2.095 10 30 AEEERN C#CCCCCC(=O)N[C@@H]1CC[C@H]1C 692870729 757381944 /nfs/dbraw/zinc/38/19/44/757381944.db2.gz LPMQVMMMXTZHAN-GHMZBOCLSA-N 0 0 193.290 2.095 10 30 AEEERN CC(C)N[C@@H](C#N)[C@H](C)C(C)C 308093899 572678970 /nfs/dbraw/zinc/67/89/70/572678970.db2.gz WITIPCHJZKPDFV-ZJUUUORDSA-N 0 0 168.284 2.169 10 30 AEEERN C#CCCCCC(=O)N(C)C1CCC1 692926098 757382215 /nfs/dbraw/zinc/38/22/15/757382215.db2.gz ABLDPODDEPEHBE-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCCCCC(=O)NCCCCF 692876089 757383310 /nfs/dbraw/zinc/38/33/10/757383310.db2.gz JLGVIMVKOSNDJO-UHFFFAOYSA-N 0 0 199.269 2.046 10 30 AEEERN C#CCCCCC(=O)N(C)CCC=C 692905480 757383455 /nfs/dbraw/zinc/38/34/55/757383455.db2.gz FZXZRAFULBPZCR-UHFFFAOYSA-N 0 0 193.290 2.215 10 30 AEEERN C=C(C)[C@H]([NH2+]C)c1ccnc(C)c1 234403284 572192480 /nfs/dbraw/zinc/19/24/80/572192480.db2.gz UTOHYCACJPZPPC-NSHDSACASA-N 0 0 176.263 2.227 10 30 AEEERN C#CCCCCC(=O)N(CC)C1CC1 692864881 757383519 /nfs/dbraw/zinc/38/35/19/757383519.db2.gz FQICZRTWNFOWMP-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCCCCC(=O)N1CC[C@@H](C)C1 692890262 757383665 /nfs/dbraw/zinc/38/36/65/757383665.db2.gz BASLWVHXWIZKKN-LLVKDONJSA-N 0 0 193.290 2.048 10 30 AEEERN C#CCCCCC(=O)N[C@H]1CC[C@@H]1C 692870731 757383930 /nfs/dbraw/zinc/38/39/30/757383930.db2.gz LPMQVMMMXTZHAN-QWRGUYRKSA-N 0 0 193.290 2.095 10 30 AEEERN CC[C@@H](C)N[C@](C#N)(CC)C1CC1 83057675 572192506 /nfs/dbraw/zinc/19/25/06/572192506.db2.gz BIINHNDSBXZRMO-KOLCDFICSA-N 0 0 180.295 2.457 10 30 AEEERN C#CCCCCC(=O)N(CC)C(C)C 692898964 757384625 /nfs/dbraw/zinc/38/46/25/757384625.db2.gz FUUVMTOQSPIZMD-UHFFFAOYSA-N 0 0 195.306 2.437 10 30 AEEERN C#CCCCCC(=O)N[C@@H]1CC[C@@H]1C 692870732 757384918 /nfs/dbraw/zinc/38/49/18/757384918.db2.gz LPMQVMMMXTZHAN-WDEREUQCSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC(=O)N(C)C1CCC(CC)CC1 692937716 757384938 /nfs/dbraw/zinc/38/49/38/757384938.db2.gz CQIABNRWHWUWIN-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN CC1CCC2(CC1)OC[C@@H](CC#N)O2 19726927 572195234 /nfs/dbraw/zinc/19/52/34/572195234.db2.gz NDWKQAOXVHRODD-HSOILSAZSA-N 0 0 195.262 2.222 10 30 AEEERN CCON[C@H](CC#N)c1ccccc1 83116270 572195264 /nfs/dbraw/zinc/19/52/64/572195264.db2.gz QTXJVMJFKWNNQX-LLVKDONJSA-N 0 0 190.246 2.182 10 30 AEEERN C=CCCNC(=O)[C@]12CCCC[C@H]1C2 693254110 757386091 /nfs/dbraw/zinc/38/60/91/757386091.db2.gz DBVIHICUGFXDJX-JQWIXIFHSA-N 0 0 193.290 2.259 10 30 AEEERN Cc1cc(F)ccc1SCC=O 19686083 572195272 /nfs/dbraw/zinc/19/52/72/572195272.db2.gz SAZVYWHJIUUDQC-UHFFFAOYSA-N 0 0 184.235 2.425 10 30 AEEERN CC[C@@H](C)N(CC)[C@@H](C)C#N 43521921 572195289 /nfs/dbraw/zinc/19/52/89/572195289.db2.gz UUUDGFBEAXVYIP-BDAKNGLRSA-N 0 0 154.257 2.019 10 30 AEEERN C=C(C)CNC(=O)[C@@]12CCCC[C@@H]1C2 693255915 757388491 /nfs/dbraw/zinc/38/84/91/757388491.db2.gz JZDVFEYZXKBHKZ-ZYHUDNBSSA-N 0 0 193.290 2.259 10 30 AEEERN C=C(C)CNC(=O)[C@]12CCCC[C@H]1C2 693255911 757388540 /nfs/dbraw/zinc/38/85/40/757388540.db2.gz JZDVFEYZXKBHKZ-JQWIXIFHSA-N 0 0 193.290 2.259 10 30 AEEERN CC[C@@H]1CCCC[C@H]1N[C@@H](C)C#N 43515396 572195377 /nfs/dbraw/zinc/19/53/77/572195377.db2.gz VRTLLXLFAAQWNZ-HBNTYKKESA-N 0 0 180.295 2.457 10 30 AEEERN C=CCCNC(=O)[C@@]12CCCC[C@@H]1C2 693254112 757389364 /nfs/dbraw/zinc/38/93/64/757389364.db2.gz DBVIHICUGFXDJX-ZYHUDNBSSA-N 0 0 193.290 2.259 10 30 AEEERN CCCCCC[C@H](O)[C@H]1O[C@@H]1C 112999449 572197229 /nfs/dbraw/zinc/19/72/29/572197229.db2.gz ZPLXLLINVSRCIY-UTLUCORTSA-N 0 0 172.268 2.105 10 30 AEEERN CC[C@H](C)CC[C@H]1O[C@]1(C)C=O 307902271 572748231 /nfs/dbraw/zinc/74/82/31/572748231.db2.gz IJZNHDBWXHVGBF-IVZWLZJFSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@@H](C#N)N(CC)C(C)C 43556231 572197244 /nfs/dbraw/zinc/19/72/44/572197244.db2.gz BAHYHZLTNSSCRX-VIFPVBQESA-N 0 0 154.257 2.019 10 30 AEEERN C/C=C\C[C@H](C)[C@H](OC)[C@H](C)C=O 308115906 572761270 /nfs/dbraw/zinc/76/12/70/572761270.db2.gz VEXGMZWYNCVISK-ISSGJFGHSA-N 0 0 184.279 2.439 10 30 AEEERN CC[C@H](C#N)Oc1ccc(NC)cc1 43543719 572197724 /nfs/dbraw/zinc/19/77/24/572197724.db2.gz LWCBRLKGLAUSRP-SNVBAGLBSA-N 0 0 190.246 2.409 10 30 AEEERN C=CCc1ccccc1[C@@H](C)O 140402267 572207288 /nfs/dbraw/zinc/20/72/88/572207288.db2.gz ZRXLPSBWHIJZMC-SECBINFHSA-N 0 0 162.232 2.468 10 30 AEEERN C#CC(=O)NCCCC1CCCCC1 694046012 757398795 /nfs/dbraw/zinc/39/87/95/757398795.db2.gz GZSDLJVOKQFDHS-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C=CCCCC(=O)C=C 36447748 572208649 /nfs/dbraw/zinc/20/86/49/572208649.db2.gz NYVQBQSUDYSKAM-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN Cc1cccc([C@H](C#N)N(C)C)c1 19934119 572208659 /nfs/dbraw/zinc/20/86/59/572208659.db2.gz CWMXWKJGOSVCIS-NSHDSACASA-N 0 0 174.247 2.121 10 30 AEEERN C/C=C/C(C)=C\[C@H](C)C=O 36447805 572208751 /nfs/dbraw/zinc/20/87/51/572208751.db2.gz BJTCGKYFAVFPPN-CGPLRWPISA-N 0 0 138.210 2.344 10 30 AEEERN C=C(C)CC[C@H](O)c1cc(C)n(C)n1 300979068 572209129 /nfs/dbraw/zinc/20/91/29/572209129.db2.gz YEZRGTYJYCLNNC-NSHDSACASA-N 0 0 194.278 2.118 10 30 AEEERN C[C@@]1(C#N)CCN(Cc2ccoc2)C1 694553227 757404354 /nfs/dbraw/zinc/40/43/54/757404354.db2.gz SWNOLOSCKONBTC-NSHDSACASA-N 0 0 190.246 2.015 10 30 AEEERN CC(C)[C@H](O)c1ccc(F)c(C#N)c1 75853952 572902339 /nfs/dbraw/zinc/90/23/39/572902339.db2.gz OSIUOQHJPBHIKA-NSHDSACASA-N 0 0 193.221 2.387 10 30 AEEERN C=C[C@@H](C)[C@@H](O)[C@]1(C)C=CC(=O)CC1 36438469 572209976 /nfs/dbraw/zinc/20/99/76/572209976.db2.gz FPULDQHCPNVEGP-YUSALJHKSA-N 0 0 194.274 2.095 10 30 AEEERN OCCCC#Cc1ccccc1Cl 140405231 572210884 /nfs/dbraw/zinc/21/08/84/572210884.db2.gz HFPNVXOMGUVSLF-UHFFFAOYSA-N 0 0 194.661 2.464 10 30 AEEERN CC1(C)CC(=O)[C@H](CCC#N)C1 36458795 572210887 /nfs/dbraw/zinc/21/08/87/572210887.db2.gz MHJKXYUDDSPLRD-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@]1(C#N)CCN(Cc2ccoc2)C1 694553226 757407396 /nfs/dbraw/zinc/40/73/96/757407396.db2.gz SWNOLOSCKONBTC-LLVKDONJSA-N 0 0 190.246 2.015 10 30 AEEERN C=C(C)C1=CCCC[C@H]1O 196464193 572211344 /nfs/dbraw/zinc/21/13/44/572211344.db2.gz HFZFLPXPGZMSFA-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN C=C(C)C1=CCCCC[C@@H]1O 196464208 572211361 /nfs/dbraw/zinc/21/13/61/572211361.db2.gz RNLQNKDINRSWRZ-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN CCO[P@@](C)(=O)[C@@H](C)CC#N 36458954 572211370 /nfs/dbraw/zinc/21/13/70/572211370.db2.gz GALJFUFIVXHMIB-WRWORJQWSA-N 0 0 175.168 2.233 10 30 AEEERN CC[C@@](C)(O)C(=O)CC#CC(C)(C)C 300721031 572224937 /nfs/dbraw/zinc/22/49/37/572224937.db2.gz BPNPOKFBVLJBTC-GFCCVEGCSA-N 0 0 196.290 2.156 10 30 AEEERN C[C@H](C=O)CCC[C@@H]1CCCO1 83531583 572233203 /nfs/dbraw/zinc/23/32/03/572233203.db2.gz WBCUPLYGJYFVCM-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN C=C[C@@H](O)[C@H]1CCCC(F)(F)C1 300767207 572233248 /nfs/dbraw/zinc/23/32/48/572233248.db2.gz OYESNTHRZBLARY-JGVFFNPUSA-N 0 0 176.206 2.359 10 30 AEEERN C#CCC(=O)CSC1CCCC1 83500403 572233255 /nfs/dbraw/zinc/23/32/55/572233255.db2.gz DQNQFISFZQLPNC-UHFFFAOYSA-N 0 0 182.288 2.255 10 30 AEEERN CC[C@H](C)N(CCOC)[C@H](C#N)CC 43556762 572237045 /nfs/dbraw/zinc/23/70/45/572237045.db2.gz FIFHQAVYPULNGD-QWRGUYRKSA-N 0 0 198.310 2.035 10 30 AEEERN CC(C)C[C@H](C)[C@H]1CC[C@@H](C=O)O1 308204100 572933328 /nfs/dbraw/zinc/93/33/28/572933328.db2.gz RRCLTGGKMASTRG-GARJFASQSA-N 0 0 184.279 2.415 10 30 AEEERN CC(=O)CC[C@]1(C=O)CC=CCC1 238104182 572933804 /nfs/dbraw/zinc/93/38/04/572933804.db2.gz WGJIQYKMPHRJNU-NSHDSACASA-N 0 0 180.247 2.281 10 30 AEEERN CCC1CCC(CNCC#N)CC1 37905764 572237160 /nfs/dbraw/zinc/23/71/60/572237160.db2.gz YRXDUKDLRUFBLK-UHFFFAOYSA-N 0 0 180.295 2.316 10 30 AEEERN C=CCCCNc1ncnc(F)c1C 696362797 757426344 /nfs/dbraw/zinc/42/63/44/757426344.db2.gz RBIWIKYWIUKKQH-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN CCCCCCCC(F)(F)C(N)=O 238203542 572333267 /nfs/dbraw/zinc/33/32/67/572333267.db2.gz QJRWTSHKJJBSQK-UHFFFAOYSA-N 0 0 193.237 2.468 10 30 AEEERN C=CC[C@@H](O)C1(CC)CC1 307135323 572361482 /nfs/dbraw/zinc/36/14/82/572361482.db2.gz QNWHPAQHXNSBTR-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC(C=C)C(O)C(C=C)C=C 238692979 572387896 /nfs/dbraw/zinc/38/78/96/572387896.db2.gz BNIHHWZUQVBSRC-UHFFFAOYSA-N 0 0 164.248 2.324 10 30 AEEERN CCC[C@H](CCCC=O)OC 238224792 572387905 /nfs/dbraw/zinc/38/79/05/572387905.db2.gz LGVISFMXXUPFMA-SECBINFHSA-N 0 0 158.241 2.171 10 30 AEEERN CCC(=O)[C@@](C)(C=O)c1ccccc1 238228409 572393003 /nfs/dbraw/zinc/39/30/03/572393003.db2.gz KASLEGCFPTZOSQ-LBPRGKRZSA-N 0 0 190.242 2.122 10 30 AEEERN Cc1cscc1CN[C@@H](C)CC#N 87310667 572414576 /nfs/dbraw/zinc/41/45/76/572414576.db2.gz WWLVWRWJRGNOSS-VIFPVBQESA-N 0 0 194.303 2.448 10 30 AEEERN Cc1cscc1CN[C@H](C)CC#N 87310668 572414589 /nfs/dbraw/zinc/41/45/89/572414589.db2.gz WWLVWRWJRGNOSS-SECBINFHSA-N 0 0 194.303 2.448 10 30 AEEERN C=C[C@H](C)Sc1nnc(C)c(C)n1 307213948 572414596 /nfs/dbraw/zinc/41/45/96/572414596.db2.gz YXUSTHLPHPYJLQ-LURJTMIESA-N 0 0 195.291 2.155 10 30 AEEERN CC[C@H](C#N)NCc1sccc1C 87309831 572414601 /nfs/dbraw/zinc/41/46/01/572414601.db2.gz VYMVNSVJOZQKJW-SECBINFHSA-N 0 0 194.303 2.448 10 30 AEEERN C#CC[C@H](O)[C@H]1CCCC[C@@H]1C 307250571 572414603 /nfs/dbraw/zinc/41/46/03/572414603.db2.gz PNHARBCZBKCUSB-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C=C(C)CN(C)CC(=C)Cl 307295607 572415319 /nfs/dbraw/zinc/41/53/19/572415319.db2.gz DFEUEVNFEUZEOD-UHFFFAOYSA-N 0 0 159.660 2.247 10 30 AEEERN Cc1ccc2c(C)cn(CC=O)c2c1 107173373 572415358 /nfs/dbraw/zinc/41/53/58/572415358.db2.gz SQWUFNZUJJAKGP-UHFFFAOYSA-N 0 0 187.242 2.457 10 30 AEEERN CCCC[C@H](O)[C@]1(C)O[C@@H]1CC 238236667 572417090 /nfs/dbraw/zinc/41/70/90/572417090.db2.gz PMYVOXJYGHAYLP-AEJSXWLSSA-N 0 0 172.268 2.105 10 30 AEEERN CC(C)CCCC1=CC(=CO)C(=O)O1 238139119 572941369 /nfs/dbraw/zinc/94/13/69/572941369.db2.gz WGJXZCUBFIPYOX-VIFPVBQESA-N 0 0 196.246 2.069 10 30 AEEERN CCC[C@@H](C=O)[C@H](O)c1ccccc1 238794834 572417186 /nfs/dbraw/zinc/41/71/86/572417186.db2.gz BZXIGJFFNGCSOW-NWDGAFQWSA-N 0 0 192.258 2.335 10 30 AEEERN CC#CCCCCOC(=O)CC 308029904 572460919 /nfs/dbraw/zinc/46/09/19/572460919.db2.gz INVDBYJRKUGCKG-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN C=C[C@H]1[C@@H]2C=C[C@@H]([C@H]3C=C[C@@H]23)[C@@H]1CO 307315336 572460969 /nfs/dbraw/zinc/46/09/69/572460969.db2.gz IMCMHFYLLKHETN-RHIYVLOFSA-N 0 0 188.270 2.015 10 30 AEEERN C=CCC(=O)c1cnc(C)cc1C 307342924 572461010 /nfs/dbraw/zinc/46/10/10/572461010.db2.gz KZMLNZRITKMOJR-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN O=C(C1=CCCCC1)[C@H]1CCCOC1 62229773 572485657 /nfs/dbraw/zinc/48/56/57/572485657.db2.gz RZSCFIWPLAELJR-NSHDSACASA-N 0 0 194.274 2.483 10 30 AEEERN Cc1cc(C#N)cc(N[C@@H]2C=CCC2)n1 698198577 757451117 /nfs/dbraw/zinc/45/11/17/757451117.db2.gz XEOTWTLEVOHWGJ-LLVKDONJSA-N 0 0 199.257 2.392 10 30 AEEERN Cc1cc(C#N)cc(N[C@H]2C=CCC2)n1 698198578 757451644 /nfs/dbraw/zinc/45/16/44/757451644.db2.gz XEOTWTLEVOHWGJ-NSHDSACASA-N 0 0 199.257 2.392 10 30 AEEERN N#Cc1cc2c(N)cccc2s1 259303741 572999056 /nfs/dbraw/zinc/99/90/56/572999056.db2.gz BXLSXYYPMJKAOM-UHFFFAOYSA-N 0 0 174.228 2.355 10 30 AEEERN CC[C@H](C#N)NCCc1ccc(C)o1 689734783 572504016 /nfs/dbraw/zinc/50/40/16/572504016.db2.gz RFTYXAFLCQAQPT-SNVBAGLBSA-N 0 0 192.262 2.022 10 30 AEEERN CCCCC(C)=NN(C)C 307780729 572507186 /nfs/dbraw/zinc/50/71/86/572507186.db2.gz KKNDLSXSBYRAPF-UHFFFAOYSA-N 0 0 142.246 2.114 10 30 AEEERN C=C(CC)CNC(=O)[C@@H]1CC1(C)C 699126609 757462891 /nfs/dbraw/zinc/46/28/91/757462891.db2.gz LAZZPDFZNFNENV-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN Cc1ccc([N+](=O)[O-])c(N=[N+]=[N-])n1 88037155 573049779 /nfs/dbraw/zinc/04/97/79/573049779.db2.gz ZCRCSMKNAMFXIV-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN C#CC[C@](O)(CC)c1ccsc1 307412588 572518887 /nfs/dbraw/zinc/51/88/87/572518887.db2.gz IPQSBJISQSTGHH-SNVBAGLBSA-N 0 0 180.272 2.369 10 30 AEEERN CC[C@H](C)O[P@](=O)(CC)CC=O 238287689 572522625 /nfs/dbraw/zinc/52/26/25/572522625.db2.gz QYVHDTSAIPMUDI-QPUJVOFHSA-N 0 0 192.195 2.298 10 30 AEEERN CC1(c2cc(C#N)c(N)s2)CC1 257954714 573159996 /nfs/dbraw/zinc/15/99/96/573159996.db2.gz WTWLLXIIFTXYOT-UHFFFAOYSA-N 0 0 178.260 2.253 10 30 AEEERN C=CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C 699987044 757479197 /nfs/dbraw/zinc/47/91/97/757479197.db2.gz CPMBADNYVGQKDF-NXEZZACHSA-N 0 0 195.306 2.361 10 30 AEEERN CC#C[C@@H](O)c1ccc(F)c(F)c1 307443588 572534329 /nfs/dbraw/zinc/53/43/29/572534329.db2.gz OFFBYHKHWPURBC-SNVBAGLBSA-N 0 0 182.169 2.022 10 30 AEEERN CC(C)(C)[S@@](=O)[C@H]1CCC[C@@H]1C#N 82788717 573198696 /nfs/dbraw/zinc/19/86/96/573198696.db2.gz XVSBUVVQBIYLLK-VYUIOLGVSA-N 0 0 199.319 2.226 10 30 AEEERN N#Cc1cnsc1Cc1ccco1 74274477 572537311 /nfs/dbraw/zinc/53/73/11/572537311.db2.gz AWXOETWIKITLRD-UHFFFAOYSA-N 0 0 190.227 2.199 10 30 AEEERN Cc1ccccc1[S@@](=O)[C@H](C)C#N 82789197 573198703 /nfs/dbraw/zinc/19/87/03/573198703.db2.gz IXOCEGFKDVDCQO-NOZJJQNGSA-N 0 0 193.271 2.015 10 30 AEEERN C#CC[C@@H](OC(=O)CC)C(C)(C)C 308304982 573198705 /nfs/dbraw/zinc/19/87/05/573198705.db2.gz NZUQINKGSMSYNA-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN C=C(C)COC(=O)[C@H]1CCCS1 308075044 572611842 /nfs/dbraw/zinc/61/18/42/572611842.db2.gz CZSOIPJDNWOTIM-MRVPVSSYSA-N 0 0 186.276 2.001 10 30 AEEERN C=C(C)C(=C)OCC 140870383 572611844 /nfs/dbraw/zinc/61/18/44/572611844.db2.gz PCBBIRRXWYZTAC-UHFFFAOYSA-N 0 0 112.172 2.113 10 30 AEEERN C=C(Cl)CNc1nc(C2CC2)no1 306375278 572611864 /nfs/dbraw/zinc/61/18/64/572611864.db2.gz XITBSCGOWZHGAZ-UHFFFAOYSA-N 0 0 199.641 2.111 10 30 AEEERN C#CCCNC(=O)C(CC)(CC)CC 760536996 757487364 /nfs/dbraw/zinc/48/73/64/757487364.db2.gz FEFQQKVZRXXWSW-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C#C[C@H](/C=C/C)[C@H]1CCCC[C@@H]1O 306393870 572611947 /nfs/dbraw/zinc/61/19/47/572611947.db2.gz HPPKIYFIVIZGOI-FSSDQGEZSA-N 0 0 178.275 2.363 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OC[C@@H](C)C#N 768004494 757488487 /nfs/dbraw/zinc/48/84/87/757488487.db2.gz YKHVJXPZBVHBCL-VHSXEESVSA-N 0 0 195.262 2.292 10 30 AEEERN CC#CCCCC(=O)O[C@@H]1C=CCC1 768012005 757488548 /nfs/dbraw/zinc/48/85/48/757488548.db2.gz WDHCNRAHJHWYQQ-LLVKDONJSA-N 0 0 192.258 2.442 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OC[C@@H](C)C#N 768004493 757488684 /nfs/dbraw/zinc/48/86/84/757488684.db2.gz YKHVJXPZBVHBCL-UWVGGRQHSA-N 0 0 195.262 2.292 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OC[C@H](C)C#N 768004492 757489019 /nfs/dbraw/zinc/48/90/19/757489019.db2.gz YKHVJXPZBVHBCL-NXEZZACHSA-N 0 0 195.262 2.292 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OC[C@H](C)C#N 768004495 757489241 /nfs/dbraw/zinc/48/92/41/757489241.db2.gz YKHVJXPZBVHBCL-ZJUUUORDSA-N 0 0 195.262 2.292 10 30 AEEERN CC#CCCCC(=O)O[C@H]1C=CCC1 768012007 757489405 /nfs/dbraw/zinc/48/94/05/757489405.db2.gz WDHCNRAHJHWYQQ-NSHDSACASA-N 0 0 192.258 2.442 10 30 AEEERN CN(CC#N)Cc1ccc(CF)cc1 777572227 757490569 /nfs/dbraw/zinc/49/05/69/757490569.db2.gz GKZREHSVVOCOJZ-UHFFFAOYSA-N 0 0 192.237 2.111 10 30 AEEERN C=C[C@@H](C)ONC1CCCC1 307673699 572632957 /nfs/dbraw/zinc/63/29/57/572632957.db2.gz BFGFNYQLUPEMRT-MRVPVSSYSA-N 0 0 155.241 2.025 10 30 AEEERN C#CCCCc1cccc(OC)c1N 238368377 572635345 /nfs/dbraw/zinc/63/53/45/572635345.db2.gz PLSWZVJCYJSJSO-UHFFFAOYSA-N 0 0 189.258 2.233 10 30 AEEERN C/C=C(/CC)C(=O)O[C@@H](C)CC#N 308316229 573236147 /nfs/dbraw/zinc/23/61/47/573236147.db2.gz VOQIGJFSMHHMOT-ZKUGPGMGSA-N 0 0 181.235 2.188 10 30 AEEERN C=C[C@]1(CO)CC(=O)CC[C@H]1C(=C)C 306464102 572635372 /nfs/dbraw/zinc/63/53/72/572635372.db2.gz HVROYDVBCSAHDZ-NWDGAFQWSA-N 0 0 194.274 2.096 10 30 AEEERN C[C@@H]1CCC[C@@H](CN[C@H](C)C#N)C1 235273359 572635385 /nfs/dbraw/zinc/63/53/85/572635385.db2.gz DRJLZSNRYIVJCM-GMTAPVOTSA-N 0 0 180.295 2.314 10 30 AEEERN C=C[C@@](O)(CC)[C@@H]1CC1(C)C 307639517 572635423 /nfs/dbraw/zinc/63/54/23/572635423.db2.gz FRANRBDQENZSAJ-PSASIEDQSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@H](CCc1ccccc1)OCC=O 238376118 572639313 /nfs/dbraw/zinc/63/93/13/572639313.db2.gz BHJWJUBSVIIWRY-NSHDSACASA-N 0 0 192.258 2.223 10 30 AEEERN C=CCC[C@@](C)(O)c1cncc(F)c1 132178960 573236168 /nfs/dbraw/zinc/23/61/68/573236168.db2.gz DKZYOLKEHISPBE-LLVKDONJSA-N 0 0 195.237 2.394 10 30 AEEERN CO[C@@H](CC=O)c1cccc(F)c1 238376064 572639331 /nfs/dbraw/zinc/63/93/31/572639331.db2.gz XEZGIARWHVNANE-JTQLQIEISA-N 0 0 182.194 2.102 10 30 AEEERN CC[C@H](C)COC(=O)CC1(C#N)CC1 815414890 757495416 /nfs/dbraw/zinc/49/54/16/757495416.db2.gz UXFSRYVCEISSPW-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)=CCOC(=O)CC1(C#N)CC1 815415566 757495482 /nfs/dbraw/zinc/49/54/82/757495482.db2.gz UWYCAMUPMTURKJ-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN CC[C@@H](C)COC(=O)CC1(C#N)CC1 815414889 757495531 /nfs/dbraw/zinc/49/55/31/757495531.db2.gz UXFSRYVCEISSPW-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)CCOC(=O)CC1(C#N)CC1 815415462 757495795 /nfs/dbraw/zinc/49/57/95/757495795.db2.gz RCJFCOIMRMEJBX-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCOC(=O)CC(C)(C)C1CC1 815468530 757495984 /nfs/dbraw/zinc/49/59/84/757495984.db2.gz AQOHWKKSAKIGIM-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)CC(C)(C)C1CC1 815469325 757496057 /nfs/dbraw/zinc/49/60/57/757496057.db2.gz GPFAISJPUYMJJA-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN N#C[C@H]1CCCC[N@@H+]2CCCC[C@H]12 259388586 573236177 /nfs/dbraw/zinc/23/61/77/573236177.db2.gz AFJVTMUMNAMKQZ-GHMZBOCLSA-N 0 0 178.279 2.165 10 30 AEEERN C[C@@]1(CO)C[C@H]1C#Cc1ccccc1 306409347 572639450 /nfs/dbraw/zinc/63/94/50/572639450.db2.gz IQAKJVMAUXXLLQ-OLZOCXBDSA-N 0 0 186.254 2.057 10 30 AEEERN COc1cccc(Cl)c1CCC=O 238373734 572641259 /nfs/dbraw/zinc/64/12/59/572641259.db2.gz QDPXRTSVOPNMAC-UHFFFAOYSA-N 0 0 198.649 2.480 10 30 AEEERN CSC[C@H](C=O)c1ccccc1 238373541 572641286 /nfs/dbraw/zinc/64/12/86/572641286.db2.gz QVVFKIBQFPOXDM-JTQLQIEISA-N 0 0 180.272 2.332 10 30 AEEERN C[C@H](C=O)CC[C@@H]1CCOC1(C)C 238373138 572641290 /nfs/dbraw/zinc/64/12/90/572641290.db2.gz WHINHGZWXIEYCX-VHSXEESVSA-N 0 0 184.279 2.417 10 30 AEEERN C=C1CC(C)(C(=O)N(CC)OCC)C1 831451364 757499860 /nfs/dbraw/zinc/49/98/60/757499860.db2.gz RUXCYZBWQOFIRM-UHFFFAOYSA-N 0 0 197.278 2.143 10 30 AEEERN C#CCC/C=C/Br 306460136 572641383 /nfs/dbraw/zinc/64/13/83/572641383.db2.gz QXJLZYXOANNGIZ-AATRIKPKSA-N 0 0 159.026 2.308 10 30 AEEERN CCC[C@@H]1C[C@@](C#N)(OCC)CCO1 85090750 572659629 /nfs/dbraw/zinc/65/96/29/572659629.db2.gz QPHXCGCYKSGZCX-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN CCO[C@H](C#N)c1ccccc1OC 85090367 572659667 /nfs/dbraw/zinc/65/96/67/572659667.db2.gz XBQXUKZOYMQPBB-LLVKDONJSA-N 0 0 191.230 2.296 10 30 AEEERN C=CCCC(=O)OC/C=C/Cl 307858342 572659714 /nfs/dbraw/zinc/65/97/14/572659714.db2.gz DOVRQXHFNWYQLT-GQCTYLIASA-N 0 0 174.627 2.248 10 30 AEEERN C=CCCC(=O)OC/C=C\Cl 307858348 572659727 /nfs/dbraw/zinc/65/97/27/572659727.db2.gz DOVRQXHFNWYQLT-XQRVVYSFSA-N 0 0 174.627 2.248 10 30 AEEERN N#C[C@@H](COC1CCC1)C(F)(F)F 236132854 572659735 /nfs/dbraw/zinc/65/97/35/572659735.db2.gz NMTLWZBQAUYNIT-LURJTMIESA-N 0 0 193.168 2.258 10 30 AEEERN CCOc1ccc([C@H](C#N)OC)cc1 85091085 572660432 /nfs/dbraw/zinc/66/04/32/572660432.db2.gz JXKOTAMEJVIKLJ-NSHDSACASA-N 0 0 191.230 2.296 10 30 AEEERN CC(C)CC[C@@]1(C=O)CCOC1 317532162 572660476 /nfs/dbraw/zinc/66/04/76/572660476.db2.gz KKOPOQIKIKLSMQ-JTQLQIEISA-N 0 0 170.252 2.028 10 30 AEEERN CC(=NNCC(C)C)[C@@H]1CCCCO1 863105027 757506975 /nfs/dbraw/zinc/50/69/75/757506975.db2.gz VYSBBKOCABSKQS-NSHDSACASA-N 0 0 198.310 2.177 10 30 AEEERN C(=NO[C@@H]1CCCCO1)[C@@H]1CC12CC2 863106081 757507008 /nfs/dbraw/zinc/50/70/08/757507008.db2.gz LKDMGOOAZFANGP-VHSXEESVSA-N 0 0 195.262 2.316 10 30 AEEERN CCO[C@@H](C#N)c1ccc(OC)cc1 85090445 572660513 /nfs/dbraw/zinc/66/05/13/572660513.db2.gz WJAGKXRTTPDDRD-NSHDSACASA-N 0 0 191.230 2.296 10 30 AEEERN C(=NO[C@H]1CCCCO1)[C@H]1CC12CC2 863106082 757507330 /nfs/dbraw/zinc/50/73/30/757507330.db2.gz LKDMGOOAZFANGP-ZJUUUORDSA-N 0 0 195.262 2.316 10 30 AEEERN CC(C)CCCC=NN1CCCC1=O 863106416 757507499 /nfs/dbraw/zinc/50/74/99/757507499.db2.gz ZGIVXISVVWCROW-UHFFFAOYSA-N 0 0 196.294 2.421 10 30 AEEERN C(=NO[C@H]1CCCCO1)[C@@H]1CC12CC2 863106080 757507635 /nfs/dbraw/zinc/50/76/35/757507635.db2.gz LKDMGOOAZFANGP-UWVGGRQHSA-N 0 0 195.262 2.316 10 30 AEEERN CC(=NNCC(C)C)[C@H]1CCCCO1 863105026 757507732 /nfs/dbraw/zinc/50/77/32/757507732.db2.gz VYSBBKOCABSKQS-LLVKDONJSA-N 0 0 198.310 2.177 10 30 AEEERN C(=NO[C@@H]1CCCCO1)[C@H]1CC12CC2 863106079 757507773 /nfs/dbraw/zinc/50/77/73/757507773.db2.gz LKDMGOOAZFANGP-NXEZZACHSA-N 0 0 195.262 2.316 10 30 AEEERN COCc1ccccc1[C@H](C#N)OC 85091164 572660546 /nfs/dbraw/zinc/66/05/46/572660546.db2.gz MFBQFBIGBMYRLI-NSHDSACASA-N 0 0 191.230 2.044 10 30 AEEERN C=CCc1ccc(OC)cc1C=O 238382868 572662475 /nfs/dbraw/zinc/66/24/75/572662475.db2.gz LFKIJFWYLDOGIJ-UHFFFAOYSA-N 0 0 176.215 2.236 10 30 AEEERN Cc1cccc2c1[C@H](CC=O)CO2 258250724 573256221 /nfs/dbraw/zinc/25/62/21/573256221.db2.gz RFOPIDAGYDTYGQ-SECBINFHSA-N 0 0 176.215 2.060 10 30 AEEERN C#CC[C@@H](O)c1cc(C)cs1 306414574 572662509 /nfs/dbraw/zinc/66/25/09/572662509.db2.gz ORZRIEFKMXPTOF-MRVPVSSYSA-N 0 0 166.245 2.113 10 30 AEEERN CC[C@@H](C#N)NC[C@@H]1CCCCS1 87684855 572673897 /nfs/dbraw/zinc/67/38/97/572673897.db2.gz YZGAVULLUYVPMS-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN C=C[C@H](C)[C@H]1C=C[C@H](CO)CC1 306534326 572673905 /nfs/dbraw/zinc/67/39/05/572673905.db2.gz OFJKVRGVFMFSQQ-DCAQKATOSA-N 0 0 166.264 2.383 10 30 AEEERN C[C@H](C#N)N1CC[C@@H]2CCCC[C@@H]2C1 48583243 572676455 /nfs/dbraw/zinc/67/64/55/572676455.db2.gz FFFARYVXMLMDFI-GRYCIOLGSA-N 0 0 192.306 2.411 10 30 AEEERN C=C(C)[C@@]12CC[C@H](O)[C@@H]1[C@H]2CC 307635643 572676456 /nfs/dbraw/zinc/67/64/56/572676456.db2.gz VQSQLUKSKKTHGF-VPOLOUISSA-N 0 0 166.264 2.360 10 30 AEEERN CC#C[C@]1(O)CCC[C@H](C2CC2)C1 307609215 572676596 /nfs/dbraw/zinc/67/65/96/572676596.db2.gz DROVSRNWNVKARP-RYUDHWBXSA-N 0 0 178.275 2.341 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@]1(C)CCCO1 715775452 573345853 /nfs/dbraw/zinc/34/58/53/573345853.db2.gz SOBGTKKJBJUVAR-MWLCHTKSSA-N 0 0 182.263 2.337 10 30 AEEERN C=C(C)CCOC(=O)/C=C/C 307859334 572659677 /nfs/dbraw/zinc/65/96/77/572659677.db2.gz FWSYTACHARBRLD-SNAWJCMRSA-N 0 0 154.209 2.072 10 30 AEEERN C=CCSCCC[C@H]1CO1 306505924 572679151 /nfs/dbraw/zinc/67/91/51/572679151.db2.gz GBGJBQBABKEJAS-QMMMGPOBSA-N 0 0 158.266 2.085 10 30 AEEERN C=C[C@@H](O)[C@H](C)/C=C/C(C)C 307648790 572679202 /nfs/dbraw/zinc/67/92/02/572679202.db2.gz FGNIVPVHLZQHKN-UHHSMLKOSA-N 0 0 154.253 2.382 10 30 AEEERN COc1cccc2ccnc(CC#N)c12 238405832 572679251 /nfs/dbraw/zinc/67/92/51/572679251.db2.gz PHKHXGMXZJTFAX-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN C[C@H](CCO)CC[C@@]1(C)OC1(C)C 238434049 572706435 /nfs/dbraw/zinc/70/64/35/572706435.db2.gz MPCQJKFZSXXNBG-GXSJLCMTSA-N 0 0 186.295 2.353 10 30 AEEERN C#CCN[C@]1(C#N)CCCC[C@H]1CC 70568516 572706450 /nfs/dbraw/zinc/70/64/50/572706450.db2.gz QSYQKSNXCSHRNC-NEPJUHHUSA-N 0 0 190.290 2.072 10 30 AEEERN C=C1[C@H]2CCCC[C@@H]2C[C@H]1O 306669031 572706553 /nfs/dbraw/zinc/70/65/53/572706553.db2.gz KSBPJRHWHXJLCW-OPRDCNLKSA-N 0 0 152.237 2.114 10 30 AEEERN C=CC(C)(C)NC(=O)NC(C)(C)C 885465104 757533111 /nfs/dbraw/zinc/53/31/11/757533111.db2.gz WSDOTWYIEYBBRD-UHFFFAOYSA-N 0 0 184.283 2.049 10 30 AEEERN C[C@]1(C#N)C=CC(Nc2ccccc2)=N1 238442827 572718401 /nfs/dbraw/zinc/71/84/01/572718401.db2.gz PAWZJNQUAAGMOR-GFCCVEGCSA-N 0 0 197.241 2.349 10 30 AEEERN CC(C)CN[C@@]1(C#N)CC[C@@H](C)C1 70644592 572718410 /nfs/dbraw/zinc/71/84/10/572718410.db2.gz NKOIYPKBOVOJFM-MNOVXSKESA-N 0 0 180.295 2.314 10 30 AEEERN O=C[C@@H](F)c1ccc(F)cc1F 257830133 573555641 /nfs/dbraw/zinc/55/56/41/573555641.db2.gz JBWLLWBGVUWGIG-MRVPVSSYSA-N 0 0 174.121 2.174 10 30 AEEERN CC[C@@](C)(C#N)n1cccc1 86681152 573567085 /nfs/dbraw/zinc/56/70/85/573567085.db2.gz PKPIZCCHZAYFGA-VIFPVBQESA-N 0 0 148.209 2.137 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@H]1[C@@H](C)O 238437727 572720710 /nfs/dbraw/zinc/72/07/10/572720710.db2.gz WEQYFJSJODLMKA-VWYCJHECSA-N 0 0 184.279 2.271 10 30 AEEERN C[C@@H](C=O)CC[C@@H]1CCOC1(C)C 238437511 572720712 /nfs/dbraw/zinc/72/07/12/572720712.db2.gz WHINHGZWXIEYCX-NXEZZACHSA-N 0 0 184.279 2.417 10 30 AEEERN CC[C@H](C#N)NC[C@]1(C)CCCS1 87793434 572720808 /nfs/dbraw/zinc/72/08/08/572720808.db2.gz BJVWOPQVQFXVTQ-ZJUUUORDSA-N 0 0 198.335 2.164 10 30 AEEERN C=CC(C)(C)Nc1nc(C)ns1 885436197 757539866 /nfs/dbraw/zinc/53/98/66/757539866.db2.gz MIKVLWFQRBLUSK-UHFFFAOYSA-N 0 0 183.280 2.223 10 30 AEEERN C=CCN(/C=C/C(=O)CC)CC=C 308099668 572720902 /nfs/dbraw/zinc/72/09/02/572720902.db2.gz CPRPVVRNLPDQEC-JXMROGBWSA-N 0 0 179.263 2.153 10 30 AEEERN O=CCCCc1ccsc1 70651097 572720927 /nfs/dbraw/zinc/72/09/27/572720927.db2.gz ZGQCZPRERHTXCB-UHFFFAOYSA-N 0 0 154.234 2.270 10 30 AEEERN C=C(C)[C@]12CC[C@H](O)[C@H]1[C@H]2CC 306695788 572722318 /nfs/dbraw/zinc/72/23/18/572722318.db2.gz VQSQLUKSKKTHGF-YTWAJWBKSA-N 0 0 166.264 2.360 10 30 AEEERN C[C@H]([NH3+])c1ccc2ccc(C#N)cc2n1 238445943 572722359 /nfs/dbraw/zinc/72/23/59/572722359.db2.gz DQAFILGJUHDPAX-QMMMGPOBSA-N 0 0 197.241 2.126 10 30 AEEERN CN(C)c1cccc(Cl)c1CC#N 258103643 573741459 /nfs/dbraw/zinc/74/14/59/573741459.db2.gz OYWFDEXHGCRZLF-UHFFFAOYSA-N 0 0 194.665 2.472 10 30 AEEERN C=C(C)C1=CC[C@@]1(C)CCO 238073164 573741464 /nfs/dbraw/zinc/74/14/64/573741464.db2.gz HGEQBDYXYFLSGH-JTQLQIEISA-N 0 0 152.237 2.281 10 30 AEEERN CC(=O)c1ccccc1C[C@@H](C)C=O 238464463 572730050 /nfs/dbraw/zinc/73/00/50/572730050.db2.gz ABNOPAVTSJCUSR-SECBINFHSA-N 0 0 190.242 2.267 10 30 AEEERN C#C[C@@H]1CCCCN1C(=O)[C@@H](C)CC 885642036 757548618 /nfs/dbraw/zinc/54/86/18/757548618.db2.gz WIGJVMUCWPJMRG-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN CC1CC(C[N@@H+]2CC[C@@](C)(C#N)C2)C1 885610371 757548833 /nfs/dbraw/zinc/54/88/33/757548833.db2.gz VWYLQJAISSDZCK-MCIGGMRASA-N 0 0 192.306 2.268 10 30 AEEERN C=C1CCCN(Cc2cncs2)C1 306643131 572734098 /nfs/dbraw/zinc/73/40/98/572734098.db2.gz VYPVFMDAOHGNQI-UHFFFAOYSA-N 0 0 194.303 2.295 10 30 AEEERN C=CC1=CC[C@H](C=O)C[C@H]1C 238422834 573512361 /nfs/dbraw/zinc/51/23/61/573512361.db2.gz OKRJZPFDYHXJHM-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN C#C[C@@H]1CCCCN1C(=O)OCCC 885775769 757549785 /nfs/dbraw/zinc/54/97/85/757549785.db2.gz MYWYQXXWSUKEIF-SNVBAGLBSA-N 0 0 195.262 2.021 10 30 AEEERN CC#C[C@@H](O)c1csc(C)c1 306683163 572734119 /nfs/dbraw/zinc/73/41/19/572734119.db2.gz UUHBHDMBDMZTBM-SECBINFHSA-N 0 0 166.245 2.113 10 30 AEEERN C#C[C@@H]1CCCCN1C(=O)CC(C)C 885643678 757550560 /nfs/dbraw/zinc/55/05/60/757550560.db2.gz SKMNRMYLQVWOBE-LLVKDONJSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H]1CCCCN1C(=O)CCCC 885639658 757550986 /nfs/dbraw/zinc/55/09/86/757550986.db2.gz ODGDYNDYOCBEBY-NSHDSACASA-N 0 0 193.290 2.191 10 30 AEEERN C=CC(C)(C)NC(=O)NC1CCCC1 885829696 757551658 /nfs/dbraw/zinc/55/16/58/757551658.db2.gz BYXRJQVBEJHQBM-UHFFFAOYSA-N 0 0 196.294 2.193 10 30 AEEERN C=C1C[C@@H](O)O[C@H](C=C(C)C)C1 238163750 573873778 /nfs/dbraw/zinc/87/37/78/573873778.db2.gz XLFVJWNYUWDNCZ-ZJUUUORDSA-N 0 0 168.236 2.006 10 30 AEEERN C#C[C@H]1CCCCN1C(=O)[C@@H](C)CC 885642035 757552025 /nfs/dbraw/zinc/55/20/25/757552025.db2.gz WIGJVMUCWPJMRG-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN C[C@H](CO)CCC[C@@H]1C[C@H]1CC=O 308110002 572734207 /nfs/dbraw/zinc/73/42/07/572734207.db2.gz MSOHJJWBDRCWJQ-HBNTYKKESA-N 0 0 184.279 2.010 10 30 AEEERN C=C(C)[C@@H](O)C(C)(C)SC 307629457 572734233 /nfs/dbraw/zinc/73/42/33/572734233.db2.gz LIYIPKMBURRBFD-SSDOTTSWSA-N 0 0 160.282 2.065 10 30 AEEERN COC(CCCC1(C#N)CC1)OC 308107074 572735821 /nfs/dbraw/zinc/73/58/21/572735821.db2.gz NUXZEAVTGDCQJF-UHFFFAOYSA-N 0 0 183.251 2.079 10 30 AEEERN C#C[C@H]1CCCCN1C(=O)CC(C)C 885643679 757554773 /nfs/dbraw/zinc/55/47/73/757554773.db2.gz SKMNRMYLQVWOBE-NSHDSACASA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@@H]1CCCCN1C(=O)CCCC 885639657 757554794 /nfs/dbraw/zinc/55/47/94/757554794.db2.gz ODGDYNDYOCBEBY-LLVKDONJSA-N 0 0 193.290 2.191 10 30 AEEERN CC1CC(C[N@@H+]2CC[C@](C)(C#N)C2)C1 885610370 757554956 /nfs/dbraw/zinc/55/49/56/757554956.db2.gz VWYLQJAISSDZCK-HTAVTVPLSA-N 0 0 192.306 2.268 10 30 AEEERN C#C[C@H]1CCCCN1C(=O)OCCC 885775768 757555479 /nfs/dbraw/zinc/55/54/79/757555479.db2.gz MYWYQXXWSUKEIF-JTQLQIEISA-N 0 0 195.262 2.021 10 30 AEEERN C=C[C@@H]([NH3+])c1c(N)cccc1Cl 238562888 573894929 /nfs/dbraw/zinc/89/49/29/573894929.db2.gz NGBZHGGKRMUOGB-SSDOTTSWSA-N 0 0 182.654 2.108 10 30 AEEERN C=CCNC(=O)C1(C)C(C)(C)C1(C)C 885789752 757556449 /nfs/dbraw/zinc/55/64/49/757556449.db2.gz YDUNOQLTQLZVLD-UHFFFAOYSA-N 0 0 195.306 2.361 10 30 AEEERN CC(C)SCC(=O)C1=COCC1 308106984 572735957 /nfs/dbraw/zinc/73/59/57/572735957.db2.gz IIJRDSGVGZDVIN-UHFFFAOYSA-N 0 0 186.276 2.001 10 30 AEEERN C#C[C@@H]1CCCCN1C(=O)[C@H](C)CC 885642033 757558897 /nfs/dbraw/zinc/55/88/97/757558897.db2.gz WIGJVMUCWPJMRG-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H]1CCCCN1C(=O)[C@H](C)CC 885642034 757560402 /nfs/dbraw/zinc/56/04/02/757560402.db2.gz WIGJVMUCWPJMRG-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN C=C(C)CC(=O)N[C@H](C)C(C)C 308122695 572767803 /nfs/dbraw/zinc/76/78/03/572767803.db2.gz RQKJMSTZPBURQY-SECBINFHSA-N 0 0 169.268 2.113 10 30 AEEERN CC(C)(C#N)CCn1cccc1C=O 85580324 572767835 /nfs/dbraw/zinc/76/78/35/572767835.db2.gz FWYJUYAUTIMAOG-UHFFFAOYSA-N 0 0 190.246 2.240 10 30 AEEERN C=CC(C)(C)C(=O)[C@@H](C)[C@@H](O)C(C)C 117949183 572793799 /nfs/dbraw/zinc/79/37/99/572793799.db2.gz WFZYOHDYBXJJSK-UWVGGRQHSA-N 0 0 198.306 2.421 10 30 AEEERN CC(=NO)c1csc(C(C)C)n1 307933871 572793907 /nfs/dbraw/zinc/79/39/07/572793907.db2.gz QMOKONSVGRCDRN-UHFFFAOYSA-N 0 0 184.264 2.465 10 30 AEEERN C#CCCC[C@@H](O)/C=C/C=C\C 307935146 572793926 /nfs/dbraw/zinc/79/39/26/572793926.db2.gz DHPJMURTYYBSEM-OGIQKIIQSA-N 0 0 164.248 2.283 10 30 AEEERN C#CCCC[C@H](O)/C=C/C=C\C 307935148 572793933 /nfs/dbraw/zinc/79/39/33/572793933.db2.gz DHPJMURTYYBSEM-WMUPNSGPSA-N 0 0 164.248 2.283 10 30 AEEERN C=CCC[C@@H](O)c1nccs1 307714616 572793942 /nfs/dbraw/zinc/79/39/42/572793942.db2.gz FNTIQOHYHVAKAD-SSDOTTSWSA-N 0 0 169.249 2.143 10 30 AEEERN CCC[C@H](C)[C@@H](O)[C@@H](C)CC#N 307935482 572793945 /nfs/dbraw/zinc/79/39/45/572793945.db2.gz HRHROHFSNMQHLN-LPEHRKFASA-N 0 0 169.268 2.333 10 30 AEEERN C/C=C(/CC)C(=O)c1cncnc1 308132033 572793956 /nfs/dbraw/zinc/79/39/56/572793956.db2.gz JXKGCYCDLRNYTM-BAQGIRSFSA-N 0 0 176.219 2.016 10 30 AEEERN C=C(C)CNc1ncc(SC)cn1 307731042 572793966 /nfs/dbraw/zinc/79/39/66/572793966.db2.gz JCDYDZKPSURAQI-UHFFFAOYSA-N 0 0 195.291 2.187 10 30 AEEERN C=CC(C)(C)C(=O)[C@H](C)[C@@H](O)C(C)C 117949181 572794004 /nfs/dbraw/zinc/79/40/04/572794004.db2.gz WFZYOHDYBXJJSK-ZJUUUORDSA-N 0 0 198.306 2.421 10 30 AEEERN C=C1[C@@H](C)[C@@]1(CO)c1ccc(F)cc1 307748249 572798070 /nfs/dbraw/zinc/79/80/70/572798070.db2.gz BBWDQKSAZBXJQA-SKDRFNHKSA-N 0 0 192.233 2.262 10 30 AEEERN COc1ccc(O[C@@H](C)CC=O)cc1 214765584 572798124 /nfs/dbraw/zinc/79/81/24/572798124.db2.gz PYJMAFUJPUHQET-VIFPVBQESA-N 0 0 194.230 2.052 10 30 AEEERN CN(CC#N)c1ccccc1Cl 49805659 572811295 /nfs/dbraw/zinc/81/12/95/572811295.db2.gz NNFAUYKLGFIURJ-UHFFFAOYSA-N 0 0 180.638 2.300 10 30 AEEERN CCC(=NNC)c1ccccc1 307944785 572811347 /nfs/dbraw/zinc/81/13/47/572811347.db2.gz HLCMUYTWLQIKRY-UHFFFAOYSA-N 0 0 162.236 2.020 10 30 AEEERN N#CCCNc1ccc(N=O)cc1 111915611 574029019 /nfs/dbraw/zinc/02/90/19/574029019.db2.gz ZQKSCFXYQIQUQV-UHFFFAOYSA-N 0 0 175.191 2.410 10 30 AEEERN C=CCCNn1c(C)ccc1C 85831013 572820477 /nfs/dbraw/zinc/82/04/77/572820477.db2.gz PLHJBRZBBFFQKJ-UHFFFAOYSA-N 0 0 164.252 2.225 10 30 AEEERN N#CC[C@H](O)c1ccnc2ccccc12 85878660 572830403 /nfs/dbraw/zinc/83/04/03/572830403.db2.gz RLKOKRJGVCDCTQ-LBPRGKRZSA-N 0 0 198.225 2.182 10 30 AEEERN C#CCC[C@@](C)(O)c1ccsc1 306949235 572830441 /nfs/dbraw/zinc/83/04/41/572830441.db2.gz VHKLNRQPAMDHKE-SNVBAGLBSA-N 0 0 180.272 2.369 10 30 AEEERN Cc1ccc2c(c1)[C@H](CC#N)CN2 71487004 572830442 /nfs/dbraw/zinc/83/04/42/572830442.db2.gz SWRDNOUGOMMTFU-SECBINFHSA-N 0 0 172.231 2.418 10 30 AEEERN CCOc1cccc([C@@H](O)CC#N)c1 85878095 572830986 /nfs/dbraw/zinc/83/09/86/572830986.db2.gz MZZSHRXTIJVSPG-NSHDSACASA-N 0 0 191.230 2.032 10 30 AEEERN C[C@H](C[C@@H](O)CC#N)c1ccccc1 85878908 572831061 /nfs/dbraw/zinc/83/10/61/572831061.db2.gz MRFXVBSTNLLPDB-PWSUYJOCSA-N 0 0 189.258 2.455 10 30 AEEERN N#CC[C@H](O)c1ccc2ncccc2c1 85878964 572831096 /nfs/dbraw/zinc/83/10/96/572831096.db2.gz IQNCJEQRMYIYJY-LBPRGKRZSA-N 0 0 198.225 2.182 10 30 AEEERN O=CCCc1ccc(CCC=O)s1 238614555 572872396 /nfs/dbraw/zinc/87/23/96/572872396.db2.gz SFKRORDZRYBQDO-UHFFFAOYSA-N 0 0 196.271 2.011 10 30 AEEERN CCn1nccc1C=NOC(C)(C)C 1116408400 757599067 /nfs/dbraw/zinc/59/90/67/757599067.db2.gz BTXHGCZDFAMODH-UHFFFAOYSA-N 0 0 195.266 2.052 10 30 AEEERN C=CC[C@]12CCC(=O)C[C@H]1CC[C@H]2O 307054043 572876016 /nfs/dbraw/zinc/87/60/16/572876016.db2.gz LAWJOGNTNMCYCP-JLLWLGSASA-N 0 0 194.274 2.073 10 30 AEEERN CC(C)c1coc(CC#N)c1 75538441 572878926 /nfs/dbraw/zinc/87/89/26/572878926.db2.gz MAZNVKLELMJPIK-UHFFFAOYSA-N 0 0 149.193 2.469 10 30 AEEERN C[C@@]1(C#N)C=Nc2ccccc21 75542644 572878952 /nfs/dbraw/zinc/87/89/52/572878952.db2.gz XZPUNRJZSUUEHE-SNVBAGLBSA-N 0 0 156.188 2.184 10 30 AEEERN CC(C)c1cc(Cl)nc(CC#N)n1 75598647 572879681 /nfs/dbraw/zinc/87/96/81/572879681.db2.gz VBNHJGDKQZEKLT-UHFFFAOYSA-N 0 0 195.653 2.319 10 30 AEEERN CC(=NOC(C)(C)C)c1cnccn1 1116404379 757603386 /nfs/dbraw/zinc/60/33/86/757603386.db2.gz HBAKKLMMFKZCKU-UHFFFAOYSA-N 0 0 193.250 2.016 10 30 AEEERN C#CC(=O)c1c(C)cccc1C 196574309 572879891 /nfs/dbraw/zinc/87/98/91/572879891.db2.gz LFHDZBWVAYSZGD-UHFFFAOYSA-N 0 0 158.200 2.119 10 30 AEEERN C=C[C@@H](C)Nc1nc(C)c(C)nc1C 307087987 572879894 /nfs/dbraw/zinc/87/98/94/572879894.db2.gz LXQXGFNIVDIMGV-SSDOTTSWSA-N 0 0 191.278 2.388 10 30 AEEERN CCOCCC=NOC[C@H](C)CC 308158692 572879917 /nfs/dbraw/zinc/87/99/17/572879917.db2.gz CJXXRDNDJUSYKZ-SNVBAGLBSA-N 0 0 187.283 2.462 10 30 AEEERN C=C[C@H](O)[C@@H]1CC[C@@H](CC)C1 307020298 572895472 /nfs/dbraw/zinc/89/54/72/572895472.db2.gz ZEJLWXNPEBYFKQ-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)/C=C\c1occc1CO 307973234 572895477 /nfs/dbraw/zinc/89/54/77/572895477.db2.gz BLGWKPNKRSACLI-ARJAWSKDSA-N 0 0 164.204 2.361 10 30 AEEERN C#C[C@@H](O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 307046741 572895489 /nfs/dbraw/zinc/89/54/89/572895489.db2.gz YPXCMPJQGHIOLN-MXWKQRLJSA-N 0 0 178.275 2.219 10 30 AEEERN CC(C)[C@@H](C)NN=Cc1cscn1 308163388 572895501 /nfs/dbraw/zinc/89/55/01/572895501.db2.gz WJLMPVYMHAHQGR-MRVPVSSYSA-N 0 0 197.307 2.111 10 30 AEEERN C[C@@H]1CCC/C(=C/Cl)C1=O 209134917 572895517 /nfs/dbraw/zinc/89/55/17/572895517.db2.gz CSGASUCJJKXRNF-XOQWBGJWSA-N 0 0 158.628 2.498 10 30 AEEERN CC(C)[C@H](C)NN=Cc1cscn1 308163389 572895539 /nfs/dbraw/zinc/89/55/39/572895539.db2.gz WJLMPVYMHAHQGR-QMMMGPOBSA-N 0 0 197.307 2.111 10 30 AEEERN C#CCCOC(=O)C[C@H](C)CCC 308174222 572895542 /nfs/dbraw/zinc/89/55/42/572895542.db2.gz CQQWXNIMDMZMQX-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN C#CCSCC1CC(OCC)C1 307974100 572895555 /nfs/dbraw/zinc/89/55/55/572895555.db2.gz JHMRXJAMOFIUDY-UHFFFAOYSA-N 0 0 184.304 2.168 10 30 AEEERN CCCC(C#N)C(=O)[C@@H]1CCCCO1 86314276 572914026 /nfs/dbraw/zinc/91/40/26/572914026.db2.gz XHKYIOMHPAFIOV-ZJUUUORDSA-N 0 0 195.262 2.064 10 30 AEEERN CCC[C@H](C#N)C(=O)C[C@@H]1CCCO1 86314476 572914042 /nfs/dbraw/zinc/91/40/42/572914042.db2.gz QTVYCPYGTONYTN-ZJUUUORDSA-N 0 0 195.262 2.064 10 30 AEEERN CCC[C@@H](C#N)C(=O)c1ccco1 86314353 572914052 /nfs/dbraw/zinc/91/40/52/572914052.db2.gz XLABYFQLTXKKJD-QMMMGPOBSA-N 0 0 177.203 2.402 10 30 AEEERN CC#C[C@H](O)c1ccnc2ccccc12 238048713 572915883 /nfs/dbraw/zinc/91/58/83/572915883.db2.gz ILLVSRVHQQPTJN-ZDUSSCGKSA-N 0 0 197.237 2.292 10 30 AEEERN C=C[C@H](O)C/C(C)=C/Cl 238044704 572915946 /nfs/dbraw/zinc/91/59/46/572915946.db2.gz KRCFHZAMOHUYDM-XPPMVYLVSA-N 0 0 146.617 2.066 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)CCSC 86327632 572920367 /nfs/dbraw/zinc/92/03/67/572920367.db2.gz MRGZMUUBKYSLJU-IUCAKERBSA-N 0 0 187.308 2.040 10 30 AEEERN CCC[C@@H](C#N)[C@](O)(CC)C1CC1 86327957 572920377 /nfs/dbraw/zinc/92/03/77/572920377.db2.gz FLBAQDCIHILNAT-QWRGUYRKSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)[C@H](O)CC(C)C 86327550 572920381 /nfs/dbraw/zinc/92/03/81/572920381.db2.gz ZJKCPXJEGNLIOB-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)c1ccco1 86326855 572920382 /nfs/dbraw/zinc/92/03/82/572920382.db2.gz XYACZRVNTNBITQ-PSASIEDQSA-N 0 0 179.219 2.253 10 30 AEEERN CCC[C@@H](C#N)[C@@](C)(O)C1CC1 86326560 572920383 /nfs/dbraw/zinc/92/03/83/572920383.db2.gz LLOXKYUIGGDZBK-UWVGGRQHSA-N 0 0 167.252 2.087 10 30 AEEERN C=C[C@H]1C[C@]1(C)Cl 141219843 572923735 /nfs/dbraw/zinc/92/37/35/572923735.db2.gz LDHWLKBGHJYYIH-WDSKDSINSA-N 0 0 116.591 2.190 10 30 AEEERN C=CC[C@H]1CCC[C@@H](CC=O)O1 238094603 572926998 /nfs/dbraw/zinc/92/69/98/572926998.db2.gz WJKNQBZMTZEQBS-UWVGGRQHSA-N 0 0 168.236 2.089 10 30 AEEERN C=C1C[C@H]2CCC[C@H]12 116727550 572927666 /nfs/dbraw/zinc/92/76/66/572927666.db2.gz MTCUBGKVGNAIDX-HTQZYQBOSA-N 0 0 108.184 2.363 10 30 AEEERN CC(=O)O[C@H]1CCC[C@]1(C)CCC=O 238095139 572927688 /nfs/dbraw/zinc/92/76/88/572927688.db2.gz PXQLHGIKVVRAOK-WDEREUQCSA-N 0 0 198.262 2.087 10 30 AEEERN C=C(C(C)=O)C(C)(C)CC(C)=O 238085584 572927709 /nfs/dbraw/zinc/92/77/09/572927709.db2.gz KIQQQLLALDWQKB-UHFFFAOYSA-N 0 0 168.236 2.137 10 30 AEEERN C=C[C@]1(C=O)CC=C(C)CC1 141224663 572927711 /nfs/dbraw/zinc/92/77/11/572927711.db2.gz IMUMRIXLOYBAMK-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)SCC[C@@]1(C#N)CCOC1 308202577 572930912 /nfs/dbraw/zinc/93/09/12/572930912.db2.gz WLNVVHYTYANYRD-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN C#CC(C)(C)C[C@@H](O)CC(=C)C 238102091 572933355 /nfs/dbraw/zinc/93/33/55/572933355.db2.gz CKAGYHPAYQPWKE-JTQLQIEISA-N 0 0 166.264 2.363 10 30 AEEERN C=CCSc1ccc([C@H](C)O)nc1 308203885 572933357 /nfs/dbraw/zinc/93/33/57/572933357.db2.gz XGMPNYZERPVODH-QMMMGPOBSA-N 0 0 195.287 2.413 10 30 AEEERN CC(C)CC[C@](O)(CC=O)C1CC1 308204433 572933823 /nfs/dbraw/zinc/93/38/23/572933823.db2.gz XOEWAATVPLOMDR-NSHDSACASA-N 0 0 184.279 2.153 10 30 AEEERN CC/C=C\C/C=C/C[C@H](O)[C@@H]1CO1 308204109 572933851 /nfs/dbraw/zinc/93/38/51/572933851.db2.gz RREDSSKUORNFSX-XOPBXSOUSA-N 0 0 182.263 2.049 10 30 AEEERN C=C(C)[C@@H](O)[C@H](OC(C)C)C(=C)C 308204558 572933868 /nfs/dbraw/zinc/93/38/68/572933868.db2.gz GYGZAYNVYWEMPA-GHMZBOCLSA-N 0 0 184.279 2.293 10 30 AEEERN Cc1nc(C)c(C=NOC(C)(C)C)o1 1117717619 757631354 /nfs/dbraw/zinc/63/13/54/757631354.db2.gz RKHGUSUGFGGQCR-UHFFFAOYSA-N 0 0 196.250 2.440 10 30 AEEERN CC(=O)/C=C/C[C@H](O)CCC(C)C 238115559 572937114 /nfs/dbraw/zinc/93/71/14/572937114.db2.gz YCQLSROPJOTSOZ-ZWNMCFTASA-N 0 0 184.279 2.319 10 30 AEEERN COc1ccccc1NC1(C#N)CC1 234912108 572937133 /nfs/dbraw/zinc/93/71/33/572937133.db2.gz PZIJMEXYDAAZMZ-UHFFFAOYSA-N 0 0 188.230 2.163 10 30 AEEERN C=C(C)[C@@H](CCC(C)=O)C(C)=O 238111546 572937151 /nfs/dbraw/zinc/93/71/51/572937151.db2.gz XQFRFLODOCZVIE-SNVBAGLBSA-N 0 0 168.236 2.137 10 30 AEEERN C=C(C)[C@@H](CO)C[C@H]1SC1(C)C 238112617 572937191 /nfs/dbraw/zinc/93/71/91/572937191.db2.gz AJULMSOGQBXXCJ-RKDXNWHRSA-N 0 0 186.320 2.455 10 30 AEEERN C=C[C@H](C)[C@@H](O)[C@@H](CC(C)C)OC 308196305 572938514 /nfs/dbraw/zinc/93/85/14/572938514.db2.gz MVTFCYWWFSESPI-HBNTYKKESA-N 0 0 186.295 2.231 10 30 AEEERN C=C(C)[C@@H](CCO)Nc1ccccc1 238112020 572938557 /nfs/dbraw/zinc/93/85/57/572938557.db2.gz CZUVQNWAEFOOJK-GFCCVEGCSA-N 0 0 191.274 2.426 10 30 AEEERN C=C[C@H](C)[C@H](O)[C@H](CC(C)C)OC 308196303 572938602 /nfs/dbraw/zinc/93/86/02/572938602.db2.gz MVTFCYWWFSESPI-DCAQKATOSA-N 0 0 186.295 2.231 10 30 AEEERN CC(C)=C(C)COC(C)(C)C=O 238111600 572938614 /nfs/dbraw/zinc/93/86/14/572938614.db2.gz ZQUVBMVXDANKKM-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN C#CCCCNC(=O)CCCC(C)C 1117818894 757648328 /nfs/dbraw/zinc/64/83/28/757648328.db2.gz KGJHOECXBXFCBR-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN CCCCCC=NO[C@@H]1CCOC1 308212678 572946932 /nfs/dbraw/zinc/94/69/32/572946932.db2.gz HFSSBYTWXQKDGX-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN C/C=C\[C@H](C)[C@H](O)C#C[Si](C)(C)C 308208587 572946949 /nfs/dbraw/zinc/94/69/49/572946949.db2.gz VGIHDEVKDNRKPO-QIAMSNJGSA-N 0 0 196.366 2.440 10 30 AEEERN N#CCCSCC1CCC(O)CC1 1118002072 757650675 /nfs/dbraw/zinc/65/06/75/757650675.db2.gz VJZOJCOOSBPJHM-UHFFFAOYSA-N 0 0 199.319 2.184 10 30 AEEERN C#C[C@@H](CC)OC(=O)C(F)=C(C)C 308213784 572948663 /nfs/dbraw/zinc/94/86/63/572948663.db2.gz HUSOUSXKBIDYIR-QMMMGPOBSA-N 0 0 184.210 2.205 10 30 AEEERN C#C[C@H](CC)OC(=O)C(F)=C(C)C 308213548 572948730 /nfs/dbraw/zinc/94/87/30/572948730.db2.gz HUSOUSXKBIDYIR-MRVPVSSYSA-N 0 0 184.210 2.205 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCC[C@@H](F)C1 1118159327 757654269 /nfs/dbraw/zinc/65/42/69/757654269.db2.gz JTEBKWWTNTUJOS-NXEZZACHSA-N 0 0 198.237 2.081 10 30 AEEERN CC#CCCOC(=O)C1(CF)CCC1 1118133766 757654433 /nfs/dbraw/zinc/65/44/33/757654433.db2.gz BNRCCINWNJCQJR-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN CC#CCSCC[C@@H]1CCOC1 1118039862 757655925 /nfs/dbraw/zinc/65/59/25/757655925.db2.gz ARWLLJJTPVVECZ-JTQLQIEISA-N 0 0 184.304 2.170 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCC[C@H](F)C1 1118159330 757656739 /nfs/dbraw/zinc/65/67/39/757656739.db2.gz JTEBKWWTNTUJOS-ZJUUUORDSA-N 0 0 198.237 2.081 10 30 AEEERN CC#CCOC(=O)[C@H]1CCC[C@@H](F)C1 1118159329 757657794 /nfs/dbraw/zinc/65/77/94/757657794.db2.gz JTEBKWWTNTUJOS-VHSXEESVSA-N 0 0 198.237 2.081 10 30 AEEERN CC#CCSCC[C@H]1CCOC1 1118039863 757659539 /nfs/dbraw/zinc/65/95/39/757659539.db2.gz ARWLLJJTPVVECZ-SNVBAGLBSA-N 0 0 184.304 2.170 10 30 AEEERN CC(=NOC(C)(C)C)c1ncccn1 1118024275 757659971 /nfs/dbraw/zinc/65/99/71/757659971.db2.gz BTOOAWIWQUZBSM-UHFFFAOYSA-N 0 0 193.250 2.016 10 30 AEEERN CC#CCOC(=O)[C@H]1CCC[C@H](F)C1 1118159328 757663003 /nfs/dbraw/zinc/66/30/03/757663003.db2.gz JTEBKWWTNTUJOS-UWVGGRQHSA-N 0 0 198.237 2.081 10 30 AEEERN C=CC[C@@H](C)NC(=O)C1(CF)CCC1 1118213161 757664759 /nfs/dbraw/zinc/66/47/59/757664759.db2.gz FFZRTVUXEQGXMZ-SECBINFHSA-N 0 0 199.269 2.207 10 30 AEEERN C[C@@H]1OCC(=NOC(C)(C)C)[C@@H]1C 1118227221 757665451 /nfs/dbraw/zinc/66/54/51/757665451.db2.gz COFJHKGGSFDHOB-SFYZADRCSA-N 0 0 185.267 2.212 10 30 AEEERN C#C[C@](C)(OCCCCCC)[C@H](C)O 238195200 572979236 /nfs/dbraw/zinc/97/92/36/572979236.db2.gz PPJKEJDVWMAPKJ-RYUDHWBXSA-N 0 0 198.306 2.356 10 30 AEEERN CCCCCCC#C[C@@](C)(CO)OC 238193559 572979272 /nfs/dbraw/zinc/97/92/72/572979272.db2.gz JRDYBYRIPBVQRJ-LBPRGKRZSA-N 0 0 198.306 2.358 10 30 AEEERN C=CC[C@H](C)NC(=O)C1(CF)CCC1 1118213162 757667008 /nfs/dbraw/zinc/66/70/08/757667008.db2.gz FFZRTVUXEQGXMZ-VIFPVBQESA-N 0 0 199.269 2.207 10 30 AEEERN C[C@@H]1OCC(=NOC(C)(C)C)[C@H]1C 1118227222 757667401 /nfs/dbraw/zinc/66/74/01/757667401.db2.gz COFJHKGGSFDHOB-YUMQZZPRSA-N 0 0 185.267 2.212 10 30 AEEERN C[C@H]1OCC(=NOC(C)(C)C)[C@H]1C 1118227220 757670420 /nfs/dbraw/zinc/67/04/20/757670420.db2.gz COFJHKGGSFDHOB-JGVFFNPUSA-N 0 0 185.267 2.212 10 30 AEEERN C/C=C/C(C)=C\C(C)=O 196585193 572979677 /nfs/dbraw/zinc/97/96/77/572979677.db2.gz CLLAEQBTPCCTBI-DEQVHDEQSA-N 0 0 124.183 2.098 10 30 AEEERN O=C[C@](F)(c1ccccc1)C1CC1 257916745 572996022 /nfs/dbraw/zinc/99/60/22/572996022.db2.gz QYJCNDPTOOYHHL-NSHDSACASA-N 0 0 178.206 2.460 10 30 AEEERN C[C@H]1C(=NOC(C)(C)C)CO[C@@H]1C 1118227216 757672478 /nfs/dbraw/zinc/67/24/78/757672478.db2.gz COFJHKGGSFDHOB-HTQZYQBOSA-N 0 0 185.267 2.212 10 30 AEEERN C#C[C@H](CCC)[C@H](O)C(C)C 238242157 572996110 /nfs/dbraw/zinc/99/61/10/572996110.db2.gz PZBWVXXMKZVLJD-NXEZZACHSA-N 0 0 154.253 2.053 10 30 AEEERN C=CC(C)(C)c1nnc(COCC)o1 1118375262 757677183 /nfs/dbraw/zinc/67/71/83/757677183.db2.gz HQSLOVHDCZCNFY-UHFFFAOYSA-N 0 0 196.250 2.070 10 30 AEEERN COc1cc2[nH]cc(C#N)c2cc1C 113276014 572999809 /nfs/dbraw/zinc/99/98/09/572999809.db2.gz ROGYBVNCBOMVTA-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN N#CCCCCc1nnc(C2CC2)o1 1118365531 757677916 /nfs/dbraw/zinc/67/79/16/757677916.db2.gz PMYRBVCOYICWAA-UHFFFAOYSA-N 0 0 191.234 2.183 10 30 AEEERN CCC(=O)OCc1ccc(C#N)s1 1118393165 757677953 /nfs/dbraw/zinc/67/79/53/757677953.db2.gz BHPBMMSGNFSYFM-UHFFFAOYSA-N 0 0 195.243 2.073 10 30 AEEERN C=CC(C)(C)c1nnc(CC)o1 1118364499 757678822 /nfs/dbraw/zinc/67/88/22/757678822.db2.gz ICWYCCSJNIJEQH-UHFFFAOYSA-N 0 0 166.224 2.096 10 30 AEEERN CCCCCC#C[C@@H](C)CO 238245118 573001256 /nfs/dbraw/zinc/00/12/56/573001256.db2.gz LXBVLXZBPYWCOO-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN Cc1cc(CCC=O)cc(Cl)c1O 258210728 573001270 /nfs/dbraw/zinc/00/12/70/573001270.db2.gz UAFKLECKPQDUOI-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN CC[C@](C)(C#N)COC1CCOCC1 308472176 573001339 /nfs/dbraw/zinc/00/13/39/573001339.db2.gz JDIQWGWGDQWUQS-LLVKDONJSA-N 0 0 197.278 2.122 10 30 AEEERN CC1=CC[C@@H]2C(=O)C=C[C@H]2C1 238244436 573001431 /nfs/dbraw/zinc/00/14/31/573001431.db2.gz IZDDFXLICQKAKQ-IUCAKERBSA-N 0 0 148.205 2.098 10 30 AEEERN CC(C)=Nc1ccc(N)cc1 104558420 573011263 /nfs/dbraw/zinc/01/12/63/573011263.db2.gz MQSPSLBDPDRLJG-UHFFFAOYSA-N 0 0 148.209 2.381 10 30 AEEERN CC#CCSCc1cncs1 1118601230 757698639 /nfs/dbraw/zinc/69/86/39/757698639.db2.gz ZGBLEDOWWKRUIM-UHFFFAOYSA-N 0 0 183.301 2.400 10 30 AEEERN C#C[C@]12CC[C@](C)([C@@H](O)C1)C2(C)C 238252559 573016254 /nfs/dbraw/zinc/01/62/54/573016254.db2.gz KYGQEHXRKZPAKG-WCQGTBRESA-N 0 0 178.275 2.197 10 30 AEEERN C=C[C@@H](C)OC(=O)c1csc(C)n1 308224778 573016257 /nfs/dbraw/zinc/01/62/57/573016257.db2.gz DLHOMUYYKANGFZ-ZCFIWIBFSA-N 0 0 197.259 2.183 10 30 AEEERN C=C(C)CCSCc1nc[nH]n1 1118596992 757702800 /nfs/dbraw/zinc/70/28/00/757702800.db2.gz IIQQQNYNWBLYKQ-UHFFFAOYSA-N 0 0 183.280 2.004 10 30 AEEERN CCOC1=CC(C)(C)C[C@H]1C=O 238254137 573017358 /nfs/dbraw/zinc/01/73/58/573017358.db2.gz VPPXPXAMWMAQFL-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN C=CC(C=C)[C@H](O)CCC 238253740 573017422 /nfs/dbraw/zinc/01/74/22/573017422.db2.gz KNLGYYHIZQYZKW-SECBINFHSA-N 0 0 140.226 2.136 10 30 AEEERN O=CCc1cc2c(F)cccc2o1 258223236 573017462 /nfs/dbraw/zinc/01/74/62/573017462.db2.gz PJKPVTBHGKPSHG-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN C=C1C(=O)C[C@H]2CCCCC(=O)C12 238253455 573017473 /nfs/dbraw/zinc/01/74/73/573017473.db2.gz AJQJIDRVWYNSOW-MRVPVSSYSA-N 0 0 178.231 2.035 10 30 AEEERN C=CCC[C@](C)(O)[C@@H](C)CCOC 162580698 573017492 /nfs/dbraw/zinc/01/74/92/573017492.db2.gz REZMWLJRGAJXGR-QWRGUYRKSA-N 0 0 186.295 2.376 10 30 AEEERN CCC/C=C\C(=O)N(CC)[C@H](C)C#N 1118792150 757709330 /nfs/dbraw/zinc/70/93/30/757709330.db2.gz KYVQDZXEKFSTEY-GQYWMQPJSA-N 0 0 194.278 2.103 10 30 AEEERN CCC/C=C\C(=O)N(CC)[C@@H](C)C#N 1118792149 757710385 /nfs/dbraw/zinc/71/03/85/757710385.db2.gz KYVQDZXEKFSTEY-DMEOUFDRSA-N 0 0 194.278 2.103 10 30 AEEERN CCC/C=C/C(=O)N(CC)[C@H](C)C#N 1118792152 757711525 /nfs/dbraw/zinc/71/15/25/757711525.db2.gz KYVQDZXEKFSTEY-QROSGCPLSA-N 0 0 194.278 2.103 10 30 AEEERN CC1=CC(=O)C[C@@H]2CCC[C@H]12 238254053 573017815 /nfs/dbraw/zinc/01/78/15/573017815.db2.gz DGDKVFWPIXNWFM-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC[C@@]1(C)C=CC(C)=C[C@@H]1O 238254159 573019075 /nfs/dbraw/zinc/01/90/75/573019075.db2.gz QETPLDJPCSIVBQ-QWRGUYRKSA-N 0 0 164.248 2.446 10 30 AEEERN CCC/C=C/C(=O)N(CC)[C@@H](C)C#N 1118792151 757714450 /nfs/dbraw/zinc/71/44/50/757714450.db2.gz KYVQDZXEKFSTEY-JARNTUPDSA-N 0 0 194.278 2.103 10 30 AEEERN Cc1cc(=O)[nH]c(C(C)C)c1C#N 259595500 573019110 /nfs/dbraw/zinc/01/91/10/573019110.db2.gz GFUCEIRNVNNLHL-UHFFFAOYSA-N 0 0 176.219 2.091 10 30 AEEERN N#C[C@@H]1CCn2cc(Cl)cc21 259595505 573020832 /nfs/dbraw/zinc/02/08/32/573020832.db2.gz GFUUFNKKEMEMLP-LURJTMIESA-N 0 0 166.611 2.152 10 30 AEEERN CCc1c(C#N)cnc2c1CCCC2 259595865 573020837 /nfs/dbraw/zinc/02/08/37/573020837.db2.gz DWGLUPPXQCBZLR-UHFFFAOYSA-N 0 0 186.258 2.394 10 30 AEEERN CC(C)CNN=C[C@@H]1CC12CC2 1118949629 757720667 /nfs/dbraw/zinc/72/06/67/757720667.db2.gz VXRMKHCUZPCKEN-VIFPVBQESA-N 0 0 166.268 2.018 10 30 AEEERN Cc1ncoc1-c1occc1CC#N 259596003 573020878 /nfs/dbraw/zinc/02/08/78/573020878.db2.gz DYOHEFDABHASTH-UHFFFAOYSA-N 0 0 188.186 2.309 10 30 AEEERN CC1(C)C[C@]2(C#N)CCCC(=O)[C@@H]12 238253598 573020940 /nfs/dbraw/zinc/02/09/40/573020940.db2.gz JAGYEJWAVPXCJP-ONGXEEELSA-N 0 0 177.247 2.295 10 30 AEEERN CC1(O)CCC(=NOC(C)(C)C)CC1 1118889345 757722643 /nfs/dbraw/zinc/72/26/43/757722643.db2.gz HHQPNHDBNXYZRC-UHFFFAOYSA-N 0 0 199.294 2.483 10 30 AEEERN CC(C)CNN=C[C@H]1CC12CC2 1118949628 757725285 /nfs/dbraw/zinc/72/52/85/757725285.db2.gz VXRMKHCUZPCKEN-SECBINFHSA-N 0 0 166.268 2.018 10 30 AEEERN CC1=CC(=O)[C@H]2C(C)=C(C)[C@]2(C)O1 238255771 573023107 /nfs/dbraw/zinc/02/31/07/573023107.db2.gz GMCMPYKKDJUDIE-MNOVXSKESA-N 0 0 178.231 2.214 10 30 AEEERN CCOC1=CC[C@H](C=O)C[C@H]1C 238254512 573023150 /nfs/dbraw/zinc/02/31/50/573023150.db2.gz TVLXARHVXDBHRZ-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN O=CC/C=C\C[C@H]1CCSC1 258227836 573023268 /nfs/dbraw/zinc/02/32/68/573023268.db2.gz PGPVSNHEGISQLB-IYABHPQVSA-N 0 0 170.277 2.275 10 30 AEEERN C=C[C@@H]1CCCC[C@@H]1C(=O)NCC 238255164 573023400 /nfs/dbraw/zinc/02/34/00/573023400.db2.gz BTBFRPKYBBZXJW-ZJUUUORDSA-N 0 0 181.279 2.115 10 30 AEEERN CCOC1=CC[C@@H](C=O)C[C@@H]1C 238254433 573023408 /nfs/dbraw/zinc/02/34/08/573023408.db2.gz TVLXARHVXDBHRZ-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 AEEERN CC1(C)C[C@@]2(C)C(=O)C=C[C@H]12 238254327 573026050 /nfs/dbraw/zinc/02/60/50/573026050.db2.gz AVJNOTAHAZAPHK-GMSGAONNSA-N 0 0 150.221 2.178 10 30 AEEERN N#Cc1cc(-c2cccnc2F)ccn1 259596795 573026066 /nfs/dbraw/zinc/02/60/66/573026066.db2.gz ATPDFKDMLPPRPC-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C=CC[C@@H](C)Sc1nnc(C)o1 1119285595 757742220 /nfs/dbraw/zinc/74/22/20/757742220.db2.gz YCRGLSHWSWLGAI-ZCFIWIBFSA-N 0 0 184.264 2.435 10 30 AEEERN O=CC/C=C\C[C@@H]1CCSC1 258227838 573026188 /nfs/dbraw/zinc/02/61/88/573026188.db2.gz PGPVSNHEGISQLB-JKERVTFKSA-N 0 0 170.277 2.275 10 30 AEEERN Cc1cc2ccc(CC=O)cc2o1 257931000 573031617 /nfs/dbraw/zinc/03/16/17/573031617.db2.gz CUXYWWBPAMQHOI-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN CC1=CC2(C=CC1=O)CCC2 238256850 573031620 /nfs/dbraw/zinc/03/16/20/573031620.db2.gz XJYXZRCLUPHQHO-UHFFFAOYSA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@H](C)Sc1nnc(C)o1 1119285594 757751170 /nfs/dbraw/zinc/75/11/70/757751170.db2.gz YCRGLSHWSWLGAI-LURJTMIESA-N 0 0 184.264 2.435 10 30 AEEERN CC=CC(=O)Cc1ccccc1OC 393656378 573039210 /nfs/dbraw/zinc/03/92/10/573039210.db2.gz JZXJPPKPBBWQLJ-UTCJRWHESA-N 0 0 190.242 2.383 10 30 AEEERN C=C[C@H](O)CC#CC(C)(C)CC 238250239 573039313 /nfs/dbraw/zinc/03/93/13/573039313.db2.gz YGXKXWCBFVNEJP-JTQLQIEISA-N 0 0 166.264 2.363 10 30 AEEERN COc1ccsc1C(=O)[C@@H](C)C#N 88028604 573041831 /nfs/dbraw/zinc/04/18/31/573041831.db2.gz RCLSEHVHRQQMNS-LURJTMIESA-N 0 0 195.243 2.099 10 30 AEEERN N#C[C@H]1C[C@H]2CCCC[C@@H]2CC1=O 141841070 573041881 /nfs/dbraw/zinc/04/18/81/573041881.db2.gz OYRRPLWYELAUOD-OPRDCNLKSA-N 0 0 177.247 2.295 10 30 AEEERN CCC[C@](C)(Br)C=O 238250079 573041939 /nfs/dbraw/zinc/04/19/39/573041939.db2.gz MIQVGPSPOBFFSX-LURJTMIESA-N 0 0 179.057 2.139 10 30 AEEERN COc1ccsc1C(=O)[C@H](C)C#N 88028605 573041940 /nfs/dbraw/zinc/04/19/40/573041940.db2.gz RCLSEHVHRQQMNS-ZCFIWIBFSA-N 0 0 195.243 2.099 10 30 AEEERN C=C[C@H]1CNc2ccccc2C1 224814135 573041966 /nfs/dbraw/zinc/04/19/66/573041966.db2.gz HUWBUBQGHUKDAM-SECBINFHSA-N 0 0 159.232 2.457 10 30 AEEERN C=C[C@@H](O)CC#CC(C)(C)CC 238250247 573042157 /nfs/dbraw/zinc/04/21/57/573042157.db2.gz YGXKXWCBFVNEJP-SNVBAGLBSA-N 0 0 166.264 2.363 10 30 AEEERN C=CCN(c1ncc(C)o1)C1CC1 1119411319 757768747 /nfs/dbraw/zinc/76/87/47/757768747.db2.gz CAPZQXILTVEEPJ-UHFFFAOYSA-N 0 0 178.235 2.138 10 30 AEEERN C=CCCCC(=O)Nc1ccns1 1119432316 757770196 /nfs/dbraw/zinc/77/01/96/757770196.db2.gz YJIYGIJAPPGMMY-UHFFFAOYSA-N 0 0 196.275 2.438 10 30 AEEERN C=CCCN(C)c1ccnc(CC)n1 1119415471 757770224 /nfs/dbraw/zinc/77/02/24/757770224.db2.gz UQPAHISXHTVRIH-UHFFFAOYSA-N 0 0 191.278 2.051 10 30 AEEERN Cc1ccccc1OC[C@@]1(C)CO1 85501622 573049825 /nfs/dbraw/zinc/04/98/25/573049825.db2.gz YFICYZOKVRAKOU-NSHDSACASA-N 0 0 178.231 2.163 10 30 AEEERN O=C[C@H](O)c1cccc2ccsc12 88038183 573049848 /nfs/dbraw/zinc/04/98/48/573049848.db2.gz SMWGRQFTWBVVHQ-VIFPVBQESA-N 0 0 192.239 2.134 10 30 AEEERN C=CC(=O)c1ccc2c(c1)C[C@H](C)O2 235694471 573049877 /nfs/dbraw/zinc/04/98/77/573049877.db2.gz SGNUJCYZBBEWTB-QMMMGPOBSA-N 0 0 188.226 2.379 10 30 AEEERN CCCC(CC)=NNCCCOC 308248856 573049892 /nfs/dbraw/zinc/04/98/92/573049892.db2.gz AKQMMDHWNJSRPE-UHFFFAOYSA-N 0 0 186.299 2.179 10 30 AEEERN Cc1cc(C)cc(OC[C@]2(C)CO2)c1 85501615 573049978 /nfs/dbraw/zinc/04/99/78/573049978.db2.gz PAZTWPCDLZYBMV-GFCCVEGCSA-N 0 0 192.258 2.471 10 30 AEEERN C[C@]1(COC2CCCCC2)CO1 85501660 573050040 /nfs/dbraw/zinc/05/00/40/573050040.db2.gz AHAWXOJNGKNKLQ-JTQLQIEISA-N 0 0 170.252 2.125 10 30 AEEERN C#C[C@](C)([NH2+]CC)c1ccccc1 238257747 573050045 /nfs/dbraw/zinc/05/00/45/573050045.db2.gz SQKATROKTDSHKG-LBPRGKRZSA-N 0 0 173.259 2.145 10 30 AEEERN CC[C@@H](C#N)OC(=O)C[C@H](C)CC 308249599 573050072 /nfs/dbraw/zinc/05/00/72/573050072.db2.gz ALMZUHMVFOUDBQ-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN Cc1ccc(C)c(OC[C@]2(C)CO2)c1 85501611 573050104 /nfs/dbraw/zinc/05/01/04/573050104.db2.gz KBWFPROOMOAOQI-GFCCVEGCSA-N 0 0 192.258 2.471 10 30 AEEERN Cc1cccc(C)c1OC[C@@]1(C)CO1 85501570 573050121 /nfs/dbraw/zinc/05/01/21/573050121.db2.gz SLGJTCWEXUTMBT-LBPRGKRZSA-N 0 0 192.258 2.471 10 30 AEEERN C#CCCCC(=O)O[C@H](C)C(C)C 308248968 573050149 /nfs/dbraw/zinc/05/01/49/573050149.db2.gz GUHYGHKFFJTCKY-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN CC[C@H](CC#N)OC(=O)[C@H](C)CC 308248879 573050226 /nfs/dbraw/zinc/05/02/26/573050226.db2.gz AHAQHFJONWGLHX-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN Cc1cccc(OC[C@@]2(C)CO2)c1C 85501592 573052898 /nfs/dbraw/zinc/05/28/98/573052898.db2.gz OGALKEIHJOTEDB-LBPRGKRZSA-N 0 0 192.258 2.471 10 30 AEEERN CCCC(C)=NOC1CCOCC1 308248760 573052920 /nfs/dbraw/zinc/05/29/20/573052920.db2.gz AJSGTEFATMRERZ-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN CCOc1ccc([C@H](O)CS)cc1 259319356 573054883 /nfs/dbraw/zinc/05/48/83/573054883.db2.gz UDEJIDNULYLHKH-SNVBAGLBSA-N 0 0 198.287 2.049 10 30 AEEERN CC1(C)N[C@](C)(C#N)C(C)(C)S1 238260320 573054893 /nfs/dbraw/zinc/05/48/93/573054893.db2.gz LZSPJQUSGTYGQP-SECBINFHSA-N 0 0 184.308 2.120 10 30 AEEERN CC[C@H]1CCC(=NNCC(F)F)C1 308243202 573061350 /nfs/dbraw/zinc/06/13/50/573061350.db2.gz SZBZCTOGCMIKNK-ZETCQYMHSA-N 0 0 190.237 2.407 10 30 AEEERN CCN(Cc1ccoc1)[C@@H](C)C#N 308487538 573061381 /nfs/dbraw/zinc/06/13/81/573061381.db2.gz PTHKDXBQDPGYIO-VIFPVBQESA-N 0 0 178.235 2.014 10 30 AEEERN CCSC#C[C@@H](O)c1cccs1 238274177 573061421 /nfs/dbraw/zinc/06/14/21/573061421.db2.gz GXRUGRKFPLQOLW-MRVPVSSYSA-N 0 0 198.312 2.496 10 30 AEEERN O=CC[C@H]1C=Cc2ccccc21 114267928 573065381 /nfs/dbraw/zinc/06/53/81/573065381.db2.gz FZBNMMPQKBSNCY-SNVBAGLBSA-N 0 0 158.200 2.386 10 30 AEEERN C=CC(C)(C)NC(=O)NCC1(C)CC1 1119954668 757804839 /nfs/dbraw/zinc/80/48/39/757804839.db2.gz OYDYZQIKEBRAQC-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC(C)(C)NC(=O)/C(C)=C/CC 1119998933 757805221 /nfs/dbraw/zinc/80/52/21/757805221.db2.gz BFYJRJJHPOGBPG-CMDGGOBGSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)/C(C)=C\CC 1119998934 757805409 /nfs/dbraw/zinc/80/54/09/757805409.db2.gz BFYJRJJHPOGBPG-HJWRWDBZSA-N 0 0 181.279 2.424 10 30 AEEERN C#Cc1cc(C)cc(Cl)n1 209753177 573065448 /nfs/dbraw/zinc/06/54/48/573065448.db2.gz TZBRRFIGUAWAOK-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C=CCCC(=O)NC(C)(C)C=C 1119999807 757806721 /nfs/dbraw/zinc/80/67/21/757806721.db2.gz NXALVBQWTWBAQH-UHFFFAOYSA-N 0 0 167.252 2.033 10 30 AEEERN N#Cc1ccc(-c2ccc(N)[nH]2)s1 259321174 573070618 /nfs/dbraw/zinc/07/06/18/573070618.db2.gz AZGVUWRKJCATIG-UHFFFAOYSA-N 0 0 189.243 2.197 10 30 AEEERN C=CC(C)(C)C[C@H](O)CC 238269087 573070815 /nfs/dbraw/zinc/07/08/15/573070815.db2.gz MACBGZAYGZAZKX-MRVPVSSYSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)CCC(=O)N1C[C@H](C)[C@@H]1C 1120740068 757816778 /nfs/dbraw/zinc/81/67/78/757816778.db2.gz UVPPJCXELOIEPU-UWVGGRQHSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CCC(=O)N[C@H]1CC12CC2 1120663688 757816837 /nfs/dbraw/zinc/81/68/37/757816837.db2.gz PUMYBUDTOQFUAN-VIFPVBQESA-N 0 0 179.263 2.011 10 30 AEEERN Cc1ncc(-c2ccc(CC#N)[nH]2)o1 259600279 573072033 /nfs/dbraw/zinc/07/20/33/573072033.db2.gz FFMMIQISNMRBNP-UHFFFAOYSA-N 0 0 187.202 2.044 10 30 AEEERN C=C(C)CCC(=O)NCC(=C)C 1120721154 757816886 /nfs/dbraw/zinc/81/68/86/757816886.db2.gz AJGHRKNWHLFDPW-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(C)CCC(=O)N1C[C@@H](C)[C@H]1C 1120740067 757817501 /nfs/dbraw/zinc/81/75/01/757817501.db2.gz UVPPJCXELOIEPU-NXEZZACHSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CCC(=O)N[C@@H]1CC12CC2 1120663687 757817533 /nfs/dbraw/zinc/81/75/33/757817533.db2.gz PUMYBUDTOQFUAN-SECBINFHSA-N 0 0 179.263 2.011 10 30 AEEERN C=C(C)CCC(=O)N1C[C@H](C)[C@H]1C 1120740069 757817598 /nfs/dbraw/zinc/81/75/98/757817598.db2.gz UVPPJCXELOIEPU-VHSXEESVSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CCC(=O)N1C[C@@H](C)[C@@H]1C 1120740070 757817733 /nfs/dbraw/zinc/81/77/33/757817733.db2.gz UVPPJCXELOIEPU-ZJUUUORDSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CCC(=O)Nc1ccns1 1120762542 757820537 /nfs/dbraw/zinc/82/05/37/757820537.db2.gz IYDWWCZOBRUYQU-UHFFFAOYSA-N 0 0 196.275 2.438 10 30 AEEERN C=C(C)CCC(=O)N1C2CCC1CC2 1120788884 757820854 /nfs/dbraw/zinc/82/08/54/757820854.db2.gz DNNNEAOOZFQREY-UHFFFAOYSA-N 0 0 193.290 2.496 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)/C=C\C 308250460 573073903 /nfs/dbraw/zinc/07/39/03/573073903.db2.gz AVDPHJSDRLJQIB-NXSJDDFASA-N 0 0 179.263 2.130 10 30 AEEERN C=C1CCN(c2ncccc2F)CC1 1120895547 757822219 /nfs/dbraw/zinc/82/22/19/757822219.db2.gz CLEBAPBUKJYGGI-UHFFFAOYSA-N 0 0 192.237 2.377 10 30 AEEERN C=C1C=C([C@H](O)CC)CCC1 238267893 573073970 /nfs/dbraw/zinc/07/39/70/573073970.db2.gz FRQFBBZNFZJQJX-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN C#Cc1ccc(NCC(C)(C)F)nc1 1120951465 757822732 /nfs/dbraw/zinc/82/27/32/757822732.db2.gz PCDLRSXXQBMSNK-UHFFFAOYSA-N 0 0 192.237 2.223 10 30 AEEERN C=CCCC(=O)N[C@H](C)CC1CC1 308250973 573076790 /nfs/dbraw/zinc/07/67/90/573076790.db2.gz HHSYRRIYFBQHFU-SECBINFHSA-N 0 0 181.279 2.257 10 30 AEEERN CCOCCC=NOC1CCCC1 308250904 573076869 /nfs/dbraw/zinc/07/68/69/573076869.db2.gz BPTLGVYZKQXIME-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN C#CCCOC(=O)[C@H](C)[C@@H](C)C=C 308251511 573076877 /nfs/dbraw/zinc/07/68/77/573076877.db2.gz HPRNLVVGDQQKJE-VHSXEESVSA-N 0 0 180.247 2.011 10 30 AEEERN C=CCCCN(CC)C(=O)NCCC 1121805814 757829505 /nfs/dbraw/zinc/82/95/05/757829505.db2.gz JTGCQKQLZUNROJ-UHFFFAOYSA-N 0 0 198.310 2.394 10 30 AEEERN C=CCCCC(=O)N(C)C1CCC1 308251863 573076916 /nfs/dbraw/zinc/07/69/16/573076916.db2.gz FZVWLFRKUYQCHW-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN C=C(C)COC(=O)c1cccn1CC 1122611928 757839654 /nfs/dbraw/zinc/83/96/54/757839654.db2.gz ILOWXXADWUQGTE-UHFFFAOYSA-N 0 0 193.246 2.241 10 30 AEEERN C=C(C)CCC(=O)OC[C@@H]1CCCO1 1122614621 757839958 /nfs/dbraw/zinc/83/99/58/757839958.db2.gz AXSZJGKHMRCMFQ-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C=C(C)CCC(=O)OC[C@H]1CCCO1 1122614622 757840609 /nfs/dbraw/zinc/84/06/09/757840609.db2.gz AXSZJGKHMRCMFQ-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN COC(C)(C)c1ccccc1C#N 259324329 573083898 /nfs/dbraw/zinc/08/38/98/573083898.db2.gz GGUJSVJHKYUNDE-UHFFFAOYSA-N 0 0 175.231 2.440 10 30 AEEERN C=C(C)CCC(=O)OC[C@@H](C)C#N 1122822698 757841354 /nfs/dbraw/zinc/84/13/54/757841354.db2.gz CIQRGRHRCVVPIE-VIFPVBQESA-N 0 0 181.235 2.046 10 30 AEEERN C=C[C@H](CC)CC(=O)OC[C@@H](C)C#N 1122822846 757841467 /nfs/dbraw/zinc/84/14/67/757841467.db2.gz IBLVEMPEENQKEE-VHSXEESVSA-N 0 0 195.262 2.292 10 30 AEEERN C=C[C@](C)(CC)COC(=O)CCF 1122736872 757841625 /nfs/dbraw/zinc/84/16/25/757841625.db2.gz GLGYXIFREVHTBK-SNVBAGLBSA-N 0 0 188.242 2.492 10 30 AEEERN C=C[C@@H](CC)CC(=O)OC[C@@H](C)C#N 1122822845 757842152 /nfs/dbraw/zinc/84/21/52/757842152.db2.gz IBLVEMPEENQKEE-UWVGGRQHSA-N 0 0 195.262 2.292 10 30 AEEERN C=C[C@H](C)OC(=O)C1(CF)CCC1 1122652347 757842460 /nfs/dbraw/zinc/84/24/60/757842460.db2.gz KMFVWXIPGWEBGX-QMMMGPOBSA-N 0 0 186.226 2.244 10 30 AEEERN C#CC[C@H](C)OC(=O)CCCCC#N 1122732533 757842756 /nfs/dbraw/zinc/84/27/56/757842756.db2.gz UNOPPWMGYUDBIB-JTQLQIEISA-N 0 0 193.246 2.025 10 30 AEEERN C=C[C@@H](CC)CC(=O)OC[C@H](C)C#N 1122822847 757842940 /nfs/dbraw/zinc/84/29/40/757842940.db2.gz IBLVEMPEENQKEE-ZJUUUORDSA-N 0 0 195.262 2.292 10 30 AEEERN C#CC[C@@H](C)OC(=O)CCCCC#N 1122732534 757843099 /nfs/dbraw/zinc/84/30/99/757843099.db2.gz UNOPPWMGYUDBIB-SNVBAGLBSA-N 0 0 193.246 2.025 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(CF)CCC1 1122652346 757843183 /nfs/dbraw/zinc/84/31/83/757843183.db2.gz KMFVWXIPGWEBGX-MRVPVSSYSA-N 0 0 186.226 2.244 10 30 AEEERN C=C(C)CCC(=O)OC[C@H](C)C#N 1122822697 757843267 /nfs/dbraw/zinc/84/32/67/757843267.db2.gz CIQRGRHRCVVPIE-SECBINFHSA-N 0 0 181.235 2.046 10 30 AEEERN C=C[C@@](C)(CC)COC(=O)CCF 1122736870 757843357 /nfs/dbraw/zinc/84/33/57/757843357.db2.gz GLGYXIFREVHTBK-JTQLQIEISA-N 0 0 188.242 2.492 10 30 AEEERN C=C[C@H](CC)CC(=O)OC[C@H](C)C#N 1122822844 757843479 /nfs/dbraw/zinc/84/34/79/757843479.db2.gz IBLVEMPEENQKEE-NXEZZACHSA-N 0 0 195.262 2.292 10 30 AEEERN C=CCN(C)C(=O)/C=C/C(C)(C)C 308497173 573084027 /nfs/dbraw/zinc/08/40/27/573084027.db2.gz UNHGFCATHMHEFC-BQYQJAHWSA-N 0 0 181.279 2.233 10 30 AEEERN C=CCCCCOC(=O)[C@@H]1C[C@H]1F 1123039081 757844687 /nfs/dbraw/zinc/84/46/87/757844687.db2.gz ADRZZMCWSCUYHG-RKDXNWHRSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCCCCOC(=O)[C@H]1C[C@H]1F 1123039078 757844914 /nfs/dbraw/zinc/84/49/14/757844914.db2.gz ADRZZMCWSCUYHG-DTWKUNHWSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCCCCOC(=O)[C@H]1C[C@@H]1F 1123039080 757845393 /nfs/dbraw/zinc/84/53/93/757845393.db2.gz ADRZZMCWSCUYHG-IUCAKERBSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCCCCOC(=O)[C@@H]1C[C@@H]1F 1123039077 757845586 /nfs/dbraw/zinc/84/55/86/757845586.db2.gz ADRZZMCWSCUYHG-BDAKNGLRSA-N 0 0 186.226 2.244 10 30 AEEERN CCC#CCOC(=O)C1(CF)CCC1 1123125641 757845949 /nfs/dbraw/zinc/84/59/49/757845949.db2.gz XKPVEHLRENUJJD-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN CCC#CCOC(=O)C1(C)CC=CC1 1123214666 757846822 /nfs/dbraw/zinc/84/68/22/757846822.db2.gz WRXXEWIIUSJBQS-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN C/C=C(\C)C(=O)O[C@@H](CC#N)C1CC1 1123461679 757847281 /nfs/dbraw/zinc/84/72/81/757847281.db2.gz AUIVBIXKXJVGQD-ANRVEHPFSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@H](CO)Sc1cccc(C#N)c1 227639702 573084141 /nfs/dbraw/zinc/08/41/41/573084141.db2.gz HZAWWJSUIAPDFB-MRVPVSSYSA-N 0 0 193.271 2.031 10 30 AEEERN C/C=C(/C)C(=O)O[C@H](CC#N)C1CC1 1123461684 757847401 /nfs/dbraw/zinc/84/74/01/757847401.db2.gz AUIVBIXKXJVGQD-WPKZPIIRSA-N 0 0 193.246 2.188 10 30 AEEERN CCCC(=O)O[C@@H](CC#N)C1CC1 1123368697 757847725 /nfs/dbraw/zinc/84/77/25/757847725.db2.gz SQPMTHUKENBPQI-VIFPVBQESA-N 0 0 181.235 2.022 10 30 AEEERN C/C=C(\C)C(=O)O[C@H](CC#N)C1CC1 1123461682 757848680 /nfs/dbraw/zinc/84/86/80/757848680.db2.gz AUIVBIXKXJVGQD-SIUBYYJGSA-N 0 0 193.246 2.188 10 30 AEEERN CCCC(=O)O[C@H](CC#N)C1CC1 1123368696 757849044 /nfs/dbraw/zinc/84/90/44/757849044.db2.gz SQPMTHUKENBPQI-SECBINFHSA-N 0 0 181.235 2.022 10 30 AEEERN C/C=C(/C)C(=O)O[C@@H](CC#N)C1CC1 1123461681 757849248 /nfs/dbraw/zinc/84/92/48/757849248.db2.gz AUIVBIXKXJVGQD-GJQXAKHRSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(CC)C(=O)N(C)Cc1ccoc1 1123599923 757850094 /nfs/dbraw/zinc/85/00/94/757850094.db2.gz AVDRMJMLXMWSIL-UHFFFAOYSA-N 0 0 193.246 2.204 10 30 AEEERN C=C[C@H](C)NC(=O)N[C@H](C)C1(C)CC1 1123650462 757850087 /nfs/dbraw/zinc/85/00/87/757850087.db2.gz TZLXAPKWYCJPPC-DTWKUNHWSA-N 0 0 196.294 2.049 10 30 AEEERN C=C(CC(C)C)C(=O)NC(C)C 1123555769 757850223 /nfs/dbraw/zinc/85/02/23/757850223.db2.gz BJBZEBFZAPVYKZ-UHFFFAOYSA-N 0 0 169.268 2.113 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@H](C)CC#N 1123629878 757850268 /nfs/dbraw/zinc/85/02/68/757850268.db2.gz CNODURJNUJGVHV-SNVBAGLBSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(CC)C(=O)N(C)[C@H](C)C(C)C 1123587595 757850280 /nfs/dbraw/zinc/85/02/80/757850280.db2.gz DGWFENLFEZEKAB-SNVBAGLBSA-N 0 0 183.295 2.456 10 30 AEEERN C=C[C@@H](C)NC(=O)N[C@@H](C)C1(C)CC1 1123650461 757850740 /nfs/dbraw/zinc/85/07/40/757850740.db2.gz TZLXAPKWYCJPPC-BDAKNGLRSA-N 0 0 196.294 2.049 10 30 AEEERN C=C(CC(C)C)C(=O)NCC(C)C 1123574856 757850813 /nfs/dbraw/zinc/85/08/13/757850813.db2.gz YZTGQFWADLKKDD-UHFFFAOYSA-N 0 0 183.295 2.361 10 30 AEEERN C=C[C@@H](C)NC(=O)N[C@H](C)C1(C)CC1 1123650464 757851251 /nfs/dbraw/zinc/85/12/51/757851251.db2.gz TZLXAPKWYCJPPC-RKDXNWHRSA-N 0 0 196.294 2.049 10 30 AEEERN C=C(CC)C(=O)N(C)[C@@H](C)C(C)C 1123587593 757851465 /nfs/dbraw/zinc/85/14/65/757851465.db2.gz DGWFENLFEZEKAB-JTQLQIEISA-N 0 0 183.295 2.456 10 30 AEEERN C=C[C@H](C)NC(=O)N[C@@H](C)C1(C)CC1 1123650463 757851511 /nfs/dbraw/zinc/85/15/11/757851511.db2.gz TZLXAPKWYCJPPC-IUCAKERBSA-N 0 0 196.294 2.049 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@@H](C)CC#N 1123629877 757852144 /nfs/dbraw/zinc/85/21/44/757852144.db2.gz CNODURJNUJGVHV-JTQLQIEISA-N 0 0 194.278 2.007 10 30 AEEERN CC/C=C\C/C=C\C[C@H]1O[C@H]1CCO 217807417 573087097 /nfs/dbraw/zinc/08/70/97/573087097.db2.gz MIFZQVMCJOTVBW-DDKSQRTOSA-N 0 0 196.290 2.439 10 30 AEEERN C=C(C)CNC(=O)N[C@@H](C)C1(C)CC1 1123746900 757852719 /nfs/dbraw/zinc/85/27/19/757852719.db2.gz NHQRZFOMCQKPPE-VIFPVBQESA-N 0 0 196.294 2.050 10 30 AEEERN C=C(CC)C(=O)NC1(CC)CCC1 1123732246 757852887 /nfs/dbraw/zinc/85/28/87/757852887.db2.gz VEURVUJRWZKLFR-UHFFFAOYSA-N 0 0 181.279 2.402 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC=CCC1 1123685043 757852998 /nfs/dbraw/zinc/85/29/98/757852998.db2.gz RHVZTLPCEGYPMJ-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=C[C@H](C)NC(=O)C(=C)CC(C)C 1123664050 757853031 /nfs/dbraw/zinc/85/30/31/757853031.db2.gz WTFBTVKRNSQCMU-JTQLQIEISA-N 0 0 181.279 2.279 10 30 AEEERN C=C[C@@H](C)NC(=O)C(=C)CC(C)C 1123664053 757853767 /nfs/dbraw/zinc/85/37/67/757853767.db2.gz WTFBTVKRNSQCMU-SNVBAGLBSA-N 0 0 181.279 2.279 10 30 AEEERN C=C(CC)C(=O)N1CC[C@H](C(C)C)C1 1123662613 757853832 /nfs/dbraw/zinc/85/38/32/757853832.db2.gz NGBIOBVWJIOXET-NSHDSACASA-N 0 0 195.306 2.457 10 30 AEEERN C=C(CC)C(=O)NCC1(C)CCC1 1123751035 757853880 /nfs/dbraw/zinc/85/38/80/757853880.db2.gz KYPIOCKCUIDBOF-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN CCN[C@@H](C#N)c1cccc(F)c1F 82523020 573087925 /nfs/dbraw/zinc/08/79/25/573087925.db2.gz PSAKBCRYPDQNGG-VIFPVBQESA-N 0 0 196.200 2.139 10 30 AEEERN C=C(C)CNC(=O)N[C@H](C)C1(C)CC1 1123746898 757854185 /nfs/dbraw/zinc/85/41/85/757854185.db2.gz NHQRZFOMCQKPPE-SECBINFHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCN(C(=O)C(=C)CC)C1CC1 1123680356 757854301 /nfs/dbraw/zinc/85/43/01/757854301.db2.gz IBMMCBLMQGRNFK-UHFFFAOYSA-N 0 0 179.263 2.130 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@@H](C#N)CC 1123690665 757854516 /nfs/dbraw/zinc/85/45/16/757854516.db2.gz CNYXXLDTMPIQQR-SNVBAGLBSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(CC)C(=O)N1CC[C@@H](C(C)C)C1 1123662612 757855016 /nfs/dbraw/zinc/85/50/16/757855016.db2.gz NGBIOBVWJIOXET-LLVKDONJSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(CC)C(=O)NC1(C)CCC1 1123765485 757855225 /nfs/dbraw/zinc/85/52/25/757855225.db2.gz FWYRLPUQGVBIOL-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN CC[C@@]1(C=O)SC[C@H](C)S1 238275443 573089749 /nfs/dbraw/zinc/08/97/49/573089749.db2.gz LHDMFEPDEFKQGK-NKWVEPMBSA-N 0 0 176.306 2.160 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC(CC)C1 1123898478 757856433 /nfs/dbraw/zinc/85/64/33/757856433.db2.gz HDOWFOKMICZRED-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C(=C)CC(C)C 1123856082 757857043 /nfs/dbraw/zinc/85/70/43/757857043.db2.gz NMAGUUFQSOIEDU-NSHDSACASA-N 0 0 193.290 2.069 10 30 AEEERN C[C@H](S)c1ccc2oc(=O)[nH]c2c1 259325291 573089802 /nfs/dbraw/zinc/08/98/02/573089802.db2.gz RYOAGSFWATYVMM-YFKPBYRVSA-N 0 0 195.243 2.112 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@@H]1C[C@H]1C 1123824849 757857142 /nfs/dbraw/zinc/85/71/42/757857142.db2.gz PTOIQJSQDJVSTD-PSASIEDQSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(CC)C(=O)NCC(F)(F)CC 1123939754 757857170 /nfs/dbraw/zinc/85/71/70/757857170.db2.gz KRQSTTNKLSIGSB-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C(=C)CC(C)C 1123856081 757857706 /nfs/dbraw/zinc/85/77/06/757857706.db2.gz NMAGUUFQSOIEDU-LLVKDONJSA-N 0 0 193.290 2.069 10 30 AEEERN C=CCC1(C(=O)N(CC)OC)CCC1 1123924752 757857981 /nfs/dbraw/zinc/85/79/81/757857981.db2.gz FWSWMJYLBALVCD-UHFFFAOYSA-N 0 0 197.278 2.143 10 30 AEEERN COc1ccc(F)cc1[C@@H](F)C=O 257943431 573093931 /nfs/dbraw/zinc/09/39/31/573093931.db2.gz VIYOLCHDFAMXFP-QMMMGPOBSA-N 0 0 186.157 2.044 10 30 AEEERN CC[C@](C#N)(C(C)=O)c1ccccc1 85629685 573094078 /nfs/dbraw/zinc/09/40/78/573094078.db2.gz OWEVTAAQUHKUFZ-LBPRGKRZSA-N 0 0 187.242 2.447 10 30 AEEERN C=CCCCC(=O)Nc1ccsn1 1132744457 757866605 /nfs/dbraw/zinc/86/66/05/757866605.db2.gz ASSLBFNDDPWVLQ-UHFFFAOYSA-N 0 0 196.275 2.438 10 30 AEEERN C=CCCC(=O)N[C@@H]1CCCC[C@@H]1F 1132098725 757867329 /nfs/dbraw/zinc/86/73/29/757867329.db2.gz CBKUPHUSFQUSMR-VHSXEESVSA-N 0 0 199.269 2.350 10 30 AEEERN C#C[C@@H](C)n1c(CO)cc2ccccc21 238411117 573105651 /nfs/dbraw/zinc/10/56/51/573105651.db2.gz NMPIKHUYRRZYBF-SNVBAGLBSA-N 0 0 199.253 2.328 10 30 AEEERN CC(C)CC1=CC(=O)CC1 77260207 573105671 /nfs/dbraw/zinc/10/56/71/573105671.db2.gz NPYIYGAKTSJXGS-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CCO[C@H](C)C1=CC(=O)CCC1 238279917 573105711 /nfs/dbraw/zinc/10/57/11/573105711.db2.gz JGIUDSJLWLIZTA-MRVPVSSYSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(CC)C(=O)NCC1CCCC1 1136206067 757871600 /nfs/dbraw/zinc/87/16/00/757871600.db2.gz XWIHZGHMKBHVEH-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCNC(=O)c1ccc(CF)cc1 1135653687 757872770 /nfs/dbraw/zinc/87/27/70/757872770.db2.gz DSKPHOOZAMKZPJ-UHFFFAOYSA-N 0 0 193.221 2.072 10 30 AEEERN C=C(CC)C(=O)Nc1ccc(F)cn1 1136317526 757873663 /nfs/dbraw/zinc/87/36/63/757873663.db2.gz QVWBDYAUYMJHSS-UHFFFAOYSA-N 0 0 194.209 2.125 10 30 AEEERN Cc1ccc([C@H](N)[C@@H](C#N)C(C)C)o1 259328664 573105906 /nfs/dbraw/zinc/10/59/06/573105906.db2.gz JALLJLDRCSIDKT-GXSJLCMTSA-N 0 0 192.262 2.384 10 30 AEEERN N#CC[C@@H]1CC[C@]2(CC(=O)CS2)C1 259600615 573105911 /nfs/dbraw/zinc/10/59/11/573105911.db2.gz GBNOSUKELGJZNN-WCBMZHEXSA-N 0 0 195.287 2.145 10 30 AEEERN C#CCN(C)Cc1cccc(C)c1F 1137677399 757882978 /nfs/dbraw/zinc/88/29/78/757882978.db2.gz PUUVMPYIEWKKEN-UHFFFAOYSA-N 0 0 191.249 2.199 10 30 AEEERN O=CC[C@@H]1C[C@@H]2CC[C@H]1C2 114698939 573109483 /nfs/dbraw/zinc/10/94/83/573109483.db2.gz BNGCUUIILATBLA-HRDYMLBCSA-N 0 0 138.210 2.012 10 30 AEEERN CCc1cccc(NC(=O)CS)c1 88225537 573109493 /nfs/dbraw/zinc/10/94/93/573109493.db2.gz KVMVZZVBSWFWEY-UHFFFAOYSA-N 0 0 195.287 2.117 10 30 AEEERN O=CC[C@@H](C(F)F)C1CCC1 258479470 573109504 /nfs/dbraw/zinc/10/95/04/573109504.db2.gz JCSBXAZUGJWEJG-SSDOTTSWSA-N 0 0 162.179 2.257 10 30 AEEERN C=C(C)CNC(=O)c1ccc(F)s1 1138475659 757887648 /nfs/dbraw/zinc/88/76/48/757887648.db2.gz YYGMXIIJOYQWPY-UHFFFAOYSA-N 0 0 199.250 2.193 10 30 AEEERN CCCCCCCOC[C@@H](C)O 88248411 573112452 /nfs/dbraw/zinc/11/24/52/573112452.db2.gz IPSNMUXNVKYURH-SNVBAGLBSA-N 0 0 174.284 2.354 10 30 AEEERN C=C/C=C/CC(=O)NCCCC=C 1139926557 757890299 /nfs/dbraw/zinc/89/02/99/757890299.db2.gz RYXDXEVVHAHYGF-FNORWQNLSA-N 0 0 179.263 2.201 10 30 AEEERN N#C[C@H](c1ccncn1)C1CCCC1 258528744 573112508 /nfs/dbraw/zinc/11/25/08/573112508.db2.gz GZTADUSVWVFMAB-JTQLQIEISA-N 0 0 187.246 2.274 10 30 AEEERN O/N=C/c1ccnc(Cl)c1Cl 114698419 573112544 /nfs/dbraw/zinc/11/25/44/573112544.db2.gz MUHOLTVQDBJLIB-XCVCLJGOSA-N 0 0 191.017 2.197 10 30 AEEERN C=C/C=C\CC(=O)NCCCC=C 1139926556 757891753 /nfs/dbraw/zinc/89/17/53/757891753.db2.gz RYXDXEVVHAHYGF-ALCCZGGFSA-N 0 0 179.263 2.201 10 30 AEEERN Cc1ccc(C2(C#N)COC2)cc1C 259332184 573112575 /nfs/dbraw/zinc/11/25/75/573112575.db2.gz SIWDNXBSKONZEB-UHFFFAOYSA-N 0 0 187.242 2.095 10 30 AEEERN Cc1ccc(F)cc1NC(=O)CS 88225542 573112609 /nfs/dbraw/zinc/11/26/09/573112609.db2.gz OEKBVNBHEBANHY-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN C#C[C@](C)(CC)[C@@H]1CCCC1=O 238286582 573112663 /nfs/dbraw/zinc/11/26/63/573112663.db2.gz KTORQPYXGKOWKZ-MWLCHTKSSA-N 0 0 164.248 2.405 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](C)C(F)(F)F 308252479 573112674 /nfs/dbraw/zinc/11/26/74/573112674.db2.gz IJXVVTGCXWJSJV-NTSWFWBYSA-N 0 0 196.168 2.303 10 30 AEEERN C=C[C@H]1CCCCC(=O)C1 114716269 573113648 /nfs/dbraw/zinc/11/36/48/573113648.db2.gz BMMWZBBMGBYUTJ-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C(C[C@H]1O[C@@H]1CO)=C(C)C 308231272 573120552 /nfs/dbraw/zinc/12/05/52/573120552.db2.gz SWKRVYCVJVILSX-GHMZBOCLSA-N 0 0 182.263 2.049 10 30 AEEERN CC[C@H]1CC2=C(C1)C(=O)CC2 238288862 573121917 /nfs/dbraw/zinc/12/19/17/573121917.db2.gz MBWDXWYMKGQDPU-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN CC[C@]12CC[C@H](C=CC1=O)C2 238283052 573128425 /nfs/dbraw/zinc/12/84/25/573128425.db2.gz WDHCUMPECYRBCF-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN N#Cc1cc2c(F)c(N)ccc2o1 259338932 573134853 /nfs/dbraw/zinc/13/48/53/573134853.db2.gz FEGOPHSXMKOTML-UHFFFAOYSA-N 0 0 176.150 2.026 10 30 AEEERN O=CC1(C[C@@H]2CC[C@H](C3CC3)O2)CC1 715491444 573134869 /nfs/dbraw/zinc/13/48/69/573134869.db2.gz BGMSJTMXAFCWMM-WDEREUQCSA-N 0 0 194.274 2.313 10 30 AEEERN C[C@H](C#N)NCC1(C)CCCC1 82625375 573134882 /nfs/dbraw/zinc/13/48/82/573134882.db2.gz VWOYVPWHUDPSMY-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN COc1cccc(Cl)c1CC#N 114916424 573139381 /nfs/dbraw/zinc/13/93/81/573139381.db2.gz IRQQUNHJPVVWQY-UHFFFAOYSA-N 0 0 181.622 2.415 10 30 AEEERN CC[C@H]1CCC(C)C(=O)C1=O 238289749 573139394 /nfs/dbraw/zinc/13/93/94/573139394.db2.gz CNTPHDJVPQRKJM-ZETCQYMHSA-N 0 0 154.209 2.208 10 30 AEEERN C=CC[C@](C)(O)c1cncc(F)c1 235721246 573146670 /nfs/dbraw/zinc/14/66/70/573146670.db2.gz QUZJYRSCOQGHKT-JTQLQIEISA-N 0 0 181.210 2.004 10 30 AEEERN CCn1cc(C#N)c2ccc(O)cc21 114963420 573146740 /nfs/dbraw/zinc/14/67/40/573146740.db2.gz LEXPENJCNRAUHG-UHFFFAOYSA-N 0 0 186.214 2.238 10 30 AEEERN C=CC[C@H](O)[C@@H](C=C)CC 238290283 573146871 /nfs/dbraw/zinc/14/68/71/573146871.db2.gz PLUAOYGSRHLXDZ-IUCAKERBSA-N 0 0 140.226 2.136 10 30 AEEERN CC/C(=N/O)Nc1ccccc1 238280820 573125561 /nfs/dbraw/zinc/12/55/61/573125561.db2.gz SCZRORYNIAQCBD-UHFFFAOYSA-N 0 0 164.208 2.296 10 30 AEEERN CC(C)(F)[C@@H](CC=O)C1CC1 258539085 573148135 /nfs/dbraw/zinc/14/81/35/573148135.db2.gz OFYAXWGAGYQRHF-QMMMGPOBSA-N 0 0 158.216 2.350 10 30 AEEERN CC[C@H](C=O)C1CC=CC1 238290786 573148256 /nfs/dbraw/zinc/14/82/56/573148256.db2.gz DLRQHFCRVLYIST-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[C@@H](O)[C@@H](C=C)CC 238290539 573148283 /nfs/dbraw/zinc/14/82/83/573148283.db2.gz PLUAOYGSRHLXDZ-DTWKUNHWSA-N 0 0 140.226 2.136 10 30 AEEERN CCO[C@H]1C(C)=CCC[C@@]1(C)C=O 238292575 573152577 /nfs/dbraw/zinc/15/25/77/573152577.db2.gz ISZHMJQSFHZFLN-QWRGUYRKSA-N 0 0 182.263 2.337 10 30 AEEERN CC(C)(C#N)COC(=O)C(C)(C)C 308284482 573152592 /nfs/dbraw/zinc/15/25/92/573152592.db2.gz YHWWFOSCPWCNBY-UHFFFAOYSA-N 0 0 183.251 2.125 10 30 AEEERN C(=N/c1cncnc1)\c1cccs1 89224242 573152612 /nfs/dbraw/zinc/15/26/12/573152612.db2.gz IANYRWJCDZRNDT-WUXMJOGZSA-N 0 0 189.243 2.289 10 30 AEEERN N#CC1(C2(c3ccccc3)COC2)CC1 258545288 573153809 /nfs/dbraw/zinc/15/38/09/573153809.db2.gz KFCJFAUHZUFCQY-UHFFFAOYSA-N 0 0 199.253 2.258 10 30 AEEERN C[C@@H](CC#N)NOCc1ccccc1 82666484 573153871 /nfs/dbraw/zinc/15/38/71/573153871.db2.gz XNYCERKKHYOGRF-JTQLQIEISA-N 0 0 190.246 2.010 10 30 AEEERN CCOCCON=CC(CC)CC 308288926 573157114 /nfs/dbraw/zinc/15/71/14/573157114.db2.gz CLDPOGIKULTUTM-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN Cc1cccc(C2(S)COC2)c1 258542407 573157217 /nfs/dbraw/zinc/15/72/17/573157217.db2.gz JVEACNMBHBWBBU-UHFFFAOYSA-N 0 0 180.272 2.150 10 30 AEEERN C=CC[C@@H]1CCC[C@@H]1NC(=O)OC 308284594 573157235 /nfs/dbraw/zinc/15/72/35/573157235.db2.gz ZWTKYJBTDHWXFK-BDAKNGLRSA-N 0 0 183.251 2.087 10 30 AEEERN O=C[C@H]1CCCc2sccc21 89556435 573160075 /nfs/dbraw/zinc/16/00/75/573160075.db2.gz XPKPTXYLURMGTO-SSDOTTSWSA-N 0 0 166.245 2.367 10 30 AEEERN CCO[C@@H](C=O)C1CCCCC1 258560226 573160115 /nfs/dbraw/zinc/16/01/15/573160115.db2.gz QNHWSPNZBGCHLL-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN CCC[C@@H](C=O)C(C)(F)F 258560184 573160125 /nfs/dbraw/zinc/16/01/25/573160125.db2.gz QLWNYHDVQDXJDR-LURJTMIESA-N 0 0 150.168 2.257 10 30 AEEERN COC(=O)c1ccc([C@@H](C)S)o1 85827832 573162779 /nfs/dbraw/zinc/16/27/79/573162779.db2.gz HWELHQRFVFOMFS-RXMQYKEDSA-N 0 0 186.232 2.057 10 30 AEEERN CCc1ccc(C(=O)[C@@H](C)C#N)o1 85826894 573162837 /nfs/dbraw/zinc/16/28/37/573162837.db2.gz KNGVXLAKRPHSLT-ZETCQYMHSA-N 0 0 177.203 2.184 10 30 AEEERN C=CCCC[C@H](NC)C(F)(F)F 128895709 573163918 /nfs/dbraw/zinc/16/39/18/573163918.db2.gz ACARQZZOFWHDEI-ZETCQYMHSA-N 0 0 181.201 2.493 10 30 AEEERN CCc1ccc(C(=O)[C@H](C)C#N)o1 85826895 573164115 /nfs/dbraw/zinc/16/41/15/573164115.db2.gz KNGVXLAKRPHSLT-SSDOTTSWSA-N 0 0 177.203 2.184 10 30 AEEERN CC[C@@H](C)COC(=O)C(C)(C)C#N 308289092 573166453 /nfs/dbraw/zinc/16/64/53/573166453.db2.gz GAGUUORDLKPJAF-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN C=C1C(=O)C=C(C)[C@H]1CC 238297063 573166518 /nfs/dbraw/zinc/16/65/18/573166518.db2.gz AGRBPHZJVIJSNK-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN CCc1cc(CC(C)=O)ccc1C#N 306560244 573166525 /nfs/dbraw/zinc/16/65/25/573166525.db2.gz MCRYYMIAKAMVII-UHFFFAOYSA-N 0 0 187.242 2.252 10 30 AEEERN N#C[C@H]1CCCC[C@@H]1Nn1cccc1 85830412 573166562 /nfs/dbraw/zinc/16/65/62/573166562.db2.gz ZLJKJJGGTMXQHG-MNOVXSKESA-N 0 0 189.262 2.114 10 30 AEEERN C=C(c1ccccc1)[C@@H](O)CC 238303238 573169497 /nfs/dbraw/zinc/16/94/97/573169497.db2.gz DMUTYUQVMSJODY-NSHDSACASA-N 0 0 162.232 2.471 10 30 AEEERN C#CCCC(=O)C(CC)(CC)OC 159365756 573169524 /nfs/dbraw/zinc/16/95/24/573169524.db2.gz FLBBQCXAVWVLEK-UHFFFAOYSA-N 0 0 182.263 2.174 10 30 AEEERN N#Cc1ccc([C@@H]2CCC[C@@H]2O)cc1 306558071 573170765 /nfs/dbraw/zinc/17/07/65/573170765.db2.gz ODAWKSUXZXEPLY-RYUDHWBXSA-N 0 0 187.242 2.187 10 30 AEEERN CC[C@]1(C)CC(C(C)=O)=C(C)O1 238303398 573170777 /nfs/dbraw/zinc/17/07/77/573170777.db2.gz JVVABNRNINSNOU-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)c1ccc(F)cc1 85880759 573182887 /nfs/dbraw/zinc/18/28/87/573182887.db2.gz PLQCFZLLGFVPND-GZMMTYOYSA-N 0 0 193.221 2.193 10 30 AEEERN CC[C@](C)(C#N)C1(O)CCCC1 85880400 573182909 /nfs/dbraw/zinc/18/29/09/573182909.db2.gz HOMNSAZBHPGNHB-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H](C#N)[C@@](C)(O)c1ccccc1 85880641 573182931 /nfs/dbraw/zinc/18/29/31/573182931.db2.gz MRCLYKOXSQQNMT-CMPLNLGQSA-N 0 0 189.258 2.444 10 30 AEEERN C[C@H](C#N)[C@@](C)(O)c1ccc(F)cc1 85880761 573182951 /nfs/dbraw/zinc/18/29/51/573182951.db2.gz PLQCFZLLGFVPND-LDYMZIIASA-N 0 0 193.221 2.193 10 30 AEEERN CC[C@](C)(O)[C@]1(C#N)CC[C@H](C)C1 85881432 573182980 /nfs/dbraw/zinc/18/29/80/573182980.db2.gz HHODUUAQKJDQEY-GARJFASQSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCC[C@@](C#N)(C(C)(C)O)C1 85881219 573182987 /nfs/dbraw/zinc/18/29/87/573182987.db2.gz NMTVBLXUWWHYFI-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCCSc1nnc(CC)n1C 308294742 573183003 /nfs/dbraw/zinc/18/30/03/573183003.db2.gz HITGEKDBOYVIPC-UHFFFAOYSA-N 0 0 197.307 2.046 10 30 AEEERN CC[C@](O)(c1ccccc1)[C@H](C)C#N 85881888 573186579 /nfs/dbraw/zinc/18/65/79/573186579.db2.gz GZEJNYJZTBUHPA-ZYHUDNBSSA-N 0 0 189.258 2.444 10 30 AEEERN CC[C@H](C)[C@@](C)(O)C(C)(C)C#N 85882104 573186603 /nfs/dbraw/zinc/18/66/03/573186603.db2.gz NKMIUDDVBJVOLT-WCBMZHEXSA-N 0 0 169.268 2.333 10 30 AEEERN Cc1ccc([C@](C)(F)C=O)cc1 258572346 573186620 /nfs/dbraw/zinc/18/66/20/573186620.db2.gz RRZWMYMPIVGMCY-SNVBAGLBSA-N 0 0 166.195 2.379 10 30 AEEERN C=CC(C)(C)C[C@@H](O)CC 238306208 573186649 /nfs/dbraw/zinc/18/66/49/573186649.db2.gz MACBGZAYGZAZKX-QMMMGPOBSA-N 0 0 142.242 2.360 10 30 AEEERN CC[C@H](C)[C@](C)(O)C(C)(C)C#N 85882097 573186697 /nfs/dbraw/zinc/18/66/97/573186697.db2.gz NKMIUDDVBJVOLT-WPRPVWTQSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@](C)(C#N)[C@@](C)(O)C1CC1 85881738 573186706 /nfs/dbraw/zinc/18/67/06/573186706.db2.gz LDYOGPLMJSRUBL-ZJUUUORDSA-N 0 0 167.252 2.087 10 30 AEEERN C=C(C)C(=O)NCC(CC)CC 1142507659 758000668 /nfs/dbraw/zinc/00/06/68/758000668.db2.gz JYYZJYROAVLXRQ-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C[C@@H](C#N)[C@](C)(O)c1cccc(F)c1 85880794 573186760 /nfs/dbraw/zinc/18/67/60/573186760.db2.gz COLGSVGVAMEKSL-KWQFWETISA-N 0 0 193.221 2.193 10 30 AEEERN C=CC(C)(C)[C@H](C)C(=S)NC 238303967 573186784 /nfs/dbraw/zinc/18/67/84/573186784.db2.gz JEUMLJULTYQRIX-SSDOTTSWSA-N 0 0 171.309 2.382 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(C(C)(C)O)C1 85881214 573186787 /nfs/dbraw/zinc/18/67/87/573186787.db2.gz NMTVBLXUWWHYFI-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)C1(O)CCCCCC1 85880468 573186805 /nfs/dbraw/zinc/18/68/05/573186805.db2.gz SRVCSIDSVDECHA-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@](C)(O)[C@@](C)(C#N)CC 85881390 573186897 /nfs/dbraw/zinc/18/68/97/573186897.db2.gz FORCRSQZJXISSI-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN C=C(C)C(=O)NC1(CC2CC2)CC1 1142518062 758004291 /nfs/dbraw/zinc/00/42/91/758004291.db2.gz MOJQGMAQCJJRKC-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN N#CC[C@@H](O)C1CCCCCC1 85879592 573186907 /nfs/dbraw/zinc/18/69/07/573186907.db2.gz IBDUUBWWINLXAV-SNVBAGLBSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@](C)(O)C1(C#N)CCCC1 85881405 573186937 /nfs/dbraw/zinc/18/69/37/573186937.db2.gz UFNBINZHGVBLMU-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN C[C@@H]1CCC[C@](O)(C(C)(C)C#N)C1 85879899 573186947 /nfs/dbraw/zinc/18/69/47/573186947.db2.gz MRAYXHLIGOYWHD-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@](C)(C#N)[C@](C)(O)CC 85881388 573186958 /nfs/dbraw/zinc/18/69/58/573186958.db2.gz FORCRSQZJXISSI-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN CC(C)[C@@](C)(O)C1(C#N)CCC1 85881663 573187050 /nfs/dbraw/zinc/18/70/50/573187050.db2.gz PXFXWJNSVONVRQ-SECBINFHSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@](O)(C1CC1)C1(C#N)CCCC1 85881760 573187058 /nfs/dbraw/zinc/18/70/58/573187058.db2.gz KRZGSQQARNRNCJ-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN C=CCCC[NH2+]CCCCCC(=O)[O-] 308514003 573187091 /nfs/dbraw/zinc/18/70/91/573187091.db2.gz DJVFNLSTSZVPIU-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(C(C)(C)O)C1 85881226 573187099 /nfs/dbraw/zinc/18/70/99/573187099.db2.gz NMTVBLXUWWHYFI-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)[C@@H](O)c1ccsc1 85884943 573188959 /nfs/dbraw/zinc/18/89/59/573188959.db2.gz BSPZOSNRNCOGGY-QMMMGPOBSA-N 0 0 181.260 2.331 10 30 AEEERN CC(C)[C@@H](O)[C@@]1(C#N)CC[C@@H](C)C1 85886199 573188967 /nfs/dbraw/zinc/18/89/67/573188967.db2.gz DNCUWQNXVKFARL-MXWKQRLJSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@H](C#N)[C@H](O)C1CCCCC1 85887584 573188981 /nfs/dbraw/zinc/18/89/81/573188981.db2.gz WVDAKOKULJICDD-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@H](O)[C@@H](C)C#N)cc1F 85888745 573189003 /nfs/dbraw/zinc/18/90/03/573189003.db2.gz XTXDFRJRSAYZGX-GZMMTYOYSA-N 0 0 193.221 2.327 10 30 AEEERN Cc1ccsc1[C@@H](O)[C@H](C)C#N 85886662 573189013 /nfs/dbraw/zinc/18/90/13/573189013.db2.gz LETHLZRDYQJSOM-SFYZADRCSA-N 0 0 181.260 2.250 10 30 AEEERN CC(C)(C#N)[C@H](O)c1ccccc1F 85886458 573189021 /nfs/dbraw/zinc/18/90/21/573189021.db2.gz KHXYSTJALWDVBB-SNVBAGLBSA-N 0 0 193.221 2.409 10 30 AEEERN N#CC1([C@H](O)c2ccco2)CCC1 85884562 573189031 /nfs/dbraw/zinc/18/90/31/573189031.db2.gz CHWMSNFVDRWJNQ-SECBINFHSA-N 0 0 177.203 2.007 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1ccc(F)cc1F 85887896 573189060 /nfs/dbraw/zinc/18/90/60/573189060.db2.gz LNDSGOHAGQYCSJ-QUBYGPBYSA-N 0 0 197.184 2.158 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1ccc(F)cc1 85885907 573189067 /nfs/dbraw/zinc/18/90/67/573189067.db2.gz JQPJEYULTMAEDM-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN CC[C@H](C)[C@@H](O)C1(C#N)CCCC1 85888513 573189075 /nfs/dbraw/zinc/18/90/75/573189075.db2.gz WVZMOLVTDASWSV-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CCc1ccc([C@H](O)C(C)(C)C#N)o1 85888655 573189087 /nfs/dbraw/zinc/18/90/87/573189087.db2.gz ZUSRGKHQAHXIPB-JTQLQIEISA-N 0 0 193.246 2.425 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)([C@H](O)C2CC2)C1 85888801 573189100 /nfs/dbraw/zinc/18/91/00/573189100.db2.gz UKDOUJUDQKKIMJ-YUSALJHKSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@](C)(C=O)OC=C(C)C 238299881 573189116 /nfs/dbraw/zinc/18/91/16/573189116.db2.gz OIEIQRDXERZAOT-SECBINFHSA-N 0 0 156.225 2.294 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1ccc(F)cc1 85885885 573189120 /nfs/dbraw/zinc/18/91/20/573189120.db2.gz AEXADEBYHITGBV-XVKPBYJWSA-N 0 0 179.194 2.019 10 30 AEEERN C[C@H](C1CCCCC1)[C@H](O)CC=O 308298198 573189124 /nfs/dbraw/zinc/18/91/24/573189124.db2.gz YIUBFXFUPIYEJN-MWLCHTKSSA-N 0 0 184.279 2.153 10 30 AEEERN CN[C@H](S)c1sccc1C 259359550 573189134 /nfs/dbraw/zinc/18/91/34/573189134.db2.gz LAFHHBWMSLCUKO-SSDOTTSWSA-N 0 0 173.306 2.204 10 30 AEEERN CC(C)(C#N)[C@H](O)c1ccc(F)cc1 85885881 573189137 /nfs/dbraw/zinc/18/91/37/573189137.db2.gz ZOXUAKLDYHFBOW-SNVBAGLBSA-N 0 0 193.221 2.409 10 30 AEEERN CC(C)(C#N)[C@H](O)c1cccs1 85885428 573189166 /nfs/dbraw/zinc/18/91/66/573189166.db2.gz WKNUPWCAQDGLJW-MRVPVSSYSA-N 0 0 181.260 2.331 10 30 AEEERN Cc1ccc([C@H](O)[C@H](C)C#N)s1 85887071 573189172 /nfs/dbraw/zinc/18/91/72/573189172.db2.gz OFGRYPHKQBXQDF-HZGVNTEJSA-N 0 0 181.260 2.250 10 30 AEEERN CC[C@H](C)[C@H](O)C1(C#N)CCCC1 85888507 573189178 /nfs/dbraw/zinc/18/91/78/573189178.db2.gz WVZMOLVTDASWSV-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCCCC[NH2+][C@H](CCC)C(=O)[O-] 308514314 573189190 /nfs/dbraw/zinc/18/91/90/573189190.db2.gz UGWVICFSYALTKL-SNVBAGLBSA-N 0 0 199.294 2.186 10 30 AEEERN Cc1ccsc1[C@H](O)[C@H](C)C#N 85886659 573189222 /nfs/dbraw/zinc/18/92/22/573189222.db2.gz LETHLZRDYQJSOM-HTQZYQBOSA-N 0 0 181.260 2.250 10 30 AEEERN C=CC[C@@H](O)C1CC(C)(C)C1 642868166 573189257 /nfs/dbraw/zinc/18/92/57/573189257.db2.gz NQPAVEMLNICDPC-SECBINFHSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)[C@H](O)C1(C#N)CCCC1 85886167 573189271 /nfs/dbraw/zinc/18/92/71/573189271.db2.gz CKTTZIXCGMLBHJ-VIFPVBQESA-N 0 0 167.252 2.087 10 30 AEEERN CCc1ccc([C@@H](O)[C@@H](C)C#N)cc1 85886829 573189276 /nfs/dbraw/zinc/18/92/76/573189276.db2.gz SUNDAXMQNWRRTA-CABZTGNLSA-N 0 0 189.258 2.442 10 30 AEEERN C[C@@H](C#N)[C@H](O)C1CCCCC1 85887549 573189283 /nfs/dbraw/zinc/18/92/83/573189283.db2.gz ZDFDEPFZSPLFHT-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1ccc(F)cc1 85885911 573189298 /nfs/dbraw/zinc/18/92/98/573189298.db2.gz JQPJEYULTMAEDM-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)cc1C 85888043 573189341 /nfs/dbraw/zinc/18/93/41/573189341.db2.gz NOSASGXOJCTQBF-JQWIXIFHSA-N 0 0 189.258 2.497 10 30 AEEERN CC(C)(C)[C@]1(C)OC[C@@H](CC#N)O1 258573812 573189378 /nfs/dbraw/zinc/18/93/78/573189378.db2.gz IVKUWUIHMZDGLV-PSASIEDQSA-N 0 0 183.251 2.078 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1cccc(F)c1 85886589 573189403 /nfs/dbraw/zinc/18/94/03/573189403.db2.gz NNMSQTSGNVPQJY-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1ccc(F)c(F)c1 85886960 573189458 /nfs/dbraw/zinc/18/94/58/573189458.db2.gz JVJXBQVBHNZUON-WKEGUHRASA-N 0 0 197.184 2.158 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1cccc(F)c1 85886582 573189463 /nfs/dbraw/zinc/18/94/63/573189463.db2.gz NNMSQTSGNVPQJY-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN N#CC1([C@@H](O)c2ccco2)CCCC1 85884519 573188951 /nfs/dbraw/zinc/18/89/51/573188951.db2.gz LNMBAWCFHHJNEG-JTQLQIEISA-N 0 0 191.230 2.397 10 30 AEEERN C=C[C@@H](C)NC(=O)/C=C/C(C)=C\C 308301173 573192567 /nfs/dbraw/zinc/19/25/67/573192567.db2.gz MBLTXTMWYZZJRO-MBPLQVARSA-N 0 0 179.263 2.200 10 30 AEEERN C#C[C@H](O)[C@@H](/C(C)=C/C=C)C(C)C 238793477 573192603 /nfs/dbraw/zinc/19/26/03/573192603.db2.gz JXVTTXGNGJXODM-ALQBXHKQSA-N 0 0 178.275 2.385 10 30 AEEERN C=CCCCCOCC 77922541 573192699 /nfs/dbraw/zinc/19/26/99/573192699.db2.gz QYPFPZKJHRQNIJ-UHFFFAOYSA-N 0 0 128.215 2.379 10 30 AEEERN CC1(Cn2cc(C#N)cn2)CCCC1 306213749 573192771 /nfs/dbraw/zinc/19/27/71/573192771.db2.gz XPFTVMKDCGFGEN-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN CC(C)(C#N)[C@@H](O)[C@H]1CC=CCC1 85890649 573192774 /nfs/dbraw/zinc/19/27/74/573192774.db2.gz UXRPFFNWOUTPHD-UWVGGRQHSA-N 0 0 179.263 2.253 10 30 AEEERN CC1(C)CCC(C#N)(CO)CC1 85893116 573192798 /nfs/dbraw/zinc/19/27/98/573192798.db2.gz XBZQQKINDMMPIJ-UHFFFAOYSA-N 0 0 167.252 2.089 10 30 AEEERN Cc1cc(F)ccc1[C@H](O)[C@@H](C)C#N 85889510 573192843 /nfs/dbraw/zinc/19/28/43/573192843.db2.gz KZNJVVFFFJIPAA-GZMMTYOYSA-N 0 0 193.221 2.327 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1cc(F)ccc1F 85888993 573192860 /nfs/dbraw/zinc/19/28/60/573192860.db2.gz KNVIVIZLYITGDJ-QUBYGPBYSA-N 0 0 197.184 2.158 10 30 AEEERN C[C@H](C#N)[C@H](O)c1cc(F)ccc1F 85888990 573192870 /nfs/dbraw/zinc/19/28/70/573192870.db2.gz KNVIVIZLYITGDJ-LDWIPMOCSA-N 0 0 197.184 2.158 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)([C@@H](C)O)C1 85890953 573192877 /nfs/dbraw/zinc/19/28/77/573192877.db2.gz VPBYSQHUHURIDU-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](O)C1(C#N)CCCC1 85890226 573192908 /nfs/dbraw/zinc/19/29/08/573192908.db2.gz OWWMFPXBKZBDBV-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H]1CC[C@](C#N)([C@@H](C)O)C1 85890969 573192955 /nfs/dbraw/zinc/19/29/55/573192955.db2.gz KODBXCFQBKAVGI-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)C(C)(C)C 85892387 573192960 /nfs/dbraw/zinc/19/29/60/573192960.db2.gz DGSULLMSSPZJPQ-WPRPVWTQSA-N 0 0 169.268 2.333 10 30 AEEERN CC(C)(C)[C@H](O)C1(C#N)CCCC1 85892408 573192968 /nfs/dbraw/zinc/19/29/68/573192968.db2.gz MEQDHHVUJOEZRC-VIFPVBQESA-N 0 0 181.279 2.477 10 30 AEEERN CCSc1ccc(O)c(C#N)c1 238301641 573192969 /nfs/dbraw/zinc/19/29/69/573192969.db2.gz FIUBLHJMDMBUQX-UHFFFAOYSA-N 0 0 179.244 2.376 10 30 AEEERN CC(C)(C)[C@@]1(C)OC[C@@H](CC#N)O1 258573815 573192984 /nfs/dbraw/zinc/19/29/84/573192984.db2.gz IVKUWUIHMZDGLV-SCZZXKLOSA-N 0 0 183.251 2.078 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)([C@@H](C)O)C1 85890960 573193008 /nfs/dbraw/zinc/19/30/08/573193008.db2.gz KODBXCFQBKAVGI-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN C=CC[C@@]1(C)C=CC=CC1=O 142265500 573193055 /nfs/dbraw/zinc/19/30/55/573193055.db2.gz ZWJOXEQYYMSFBR-JTQLQIEISA-N 0 0 148.205 2.264 10 30 AEEERN CC[C@H](O)/C=C/C#Cc1ccccc1 238302117 573193068 /nfs/dbraw/zinc/19/30/68/573193068.db2.gz JHWMDOKDUQGXLE-HJTPGIPUSA-N 0 0 186.254 2.365 10 30 AEEERN CCC1CCC(C#N)([C@@H](C)O)CC1 85891143 573193083 /nfs/dbraw/zinc/19/30/83/573193083.db2.gz KTCKBRCVWXTPAU-KPPDAEKUSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)C(C)(C)C 85892391 573193091 /nfs/dbraw/zinc/19/30/91/573193091.db2.gz DGSULLMSSPZJPQ-WCBMZHEXSA-N 0 0 169.268 2.333 10 30 AEEERN CC(C)(C)C[C@@H](O)C1(C#N)CCC1 85892806 573193096 /nfs/dbraw/zinc/19/30/96/573193096.db2.gz XOPQEBKMCAXDAB-SECBINFHSA-N 0 0 181.279 2.477 10 30 AEEERN C=C[C@H](C)NC(=O)/C=C/C(C)=C/C 308301174 573194522 /nfs/dbraw/zinc/19/45/22/573194522.db2.gz MBLTXTMWYZZJRO-RNNSYOFVSA-N 0 0 179.263 2.200 10 30 AEEERN CC(C)(C#N)[C@H](O)Cc1ccccc1 85890841 573194524 /nfs/dbraw/zinc/19/45/24/573194524.db2.gz KFOIXLUPHNMJGH-LLVKDONJSA-N 0 0 189.258 2.140 10 30 AEEERN CC[C@@H]1CC(=O)C[C@](C)(C#N)C1 238301115 573194037 /nfs/dbraw/zinc/19/40/37/573194037.db2.gz OPZNLAMXVGBVRS-PSASIEDQSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](CC#N)[S@](=O)c1ccccc1 82788107 573194039 /nfs/dbraw/zinc/19/40/39/573194039.db2.gz AWXYBIJTTPUNAZ-TVQRCGJNSA-N 0 0 193.271 2.096 10 30 AEEERN C=CCC[C@]12CCC(=O)[C@H]1C2 222752630 573194048 /nfs/dbraw/zinc/19/40/48/573194048.db2.gz HEDPDRFWEHOAKT-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCCC(=O)N1[C@H](C)CC1(C)C 308302596 573194050 /nfs/dbraw/zinc/19/40/50/573194050.db2.gz MTWHZBOOVAEYKT-SECBINFHSA-N 0 0 181.279 2.352 10 30 AEEERN CCC[C@H](O)[C@](C)(C#N)CC 85890188 573194063 /nfs/dbraw/zinc/19/40/63/573194063.db2.gz ZEVHHNKVBCKNLO-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)C(C)(C)C 85892384 573194083 /nfs/dbraw/zinc/19/40/83/573194083.db2.gz DGSULLMSSPZJPQ-PSASIEDQSA-N 0 0 169.268 2.333 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1cccc(F)c1F 85889376 573194136 /nfs/dbraw/zinc/19/41/36/573194136.db2.gz CPCRBDYXWRXWEI-LHLIQPBNSA-N 0 0 197.184 2.158 10 30 AEEERN CC[C@@H]1CC(C(C)=O)=C(C)O1 238302308 573194149 /nfs/dbraw/zinc/19/41/49/573194149.db2.gz IIABUSHZBLVJKL-MRVPVSSYSA-N 0 0 154.209 2.048 10 30 AEEERN Cc1cc(C)cc([C@@H](O)[C@@H](C)C#N)c1 85889319 573194150 /nfs/dbraw/zinc/19/41/50/573194150.db2.gz TWJVTSHRXHVIGQ-JQWIXIFHSA-N 0 0 189.258 2.497 10 30 AEEERN CC(C)C[C@@H](O)C1(C#N)CCC1 85890532 573194167 /nfs/dbraw/zinc/19/41/67/573194167.db2.gz KYCCNPFARAPMKA-SECBINFHSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)(CO)C1 85893078 573194179 /nfs/dbraw/zinc/19/41/79/573194179.db2.gz RMLVWNVAJJLBGT-NXEZZACHSA-N 0 0 167.252 2.089 10 30 AEEERN N#CC1([C@H](O)c2ccoc2)CCC1 85889124 573194186 /nfs/dbraw/zinc/19/41/86/573194186.db2.gz QCWCCFFUHPPMDX-SECBINFHSA-N 0 0 177.203 2.007 10 30 AEEERN CC[C@H](O)[C@@]1(C#N)CC[C@H](C)C1 85891421 573194194 /nfs/dbraw/zinc/19/41/94/573194194.db2.gz DAVSGRLDRKYIAX-GUBZILKMSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H](O)C1(C#N)CCC(C)(C)CC1 85891021 573194200 /nfs/dbraw/zinc/19/42/00/573194200.db2.gz CXNKRJTXGIIQES-SECBINFHSA-N 0 0 181.279 2.477 10 30 AEEERN C/C=C(/CC)C(=O)OC[C@H](C)C#N 308303403 573194215 /nfs/dbraw/zinc/19/42/15/573194215.db2.gz NEQAQLPEBGROBW-HMXLAXJASA-N 0 0 181.235 2.046 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(O)[C@@H](C)C#N 85894052 573194218 /nfs/dbraw/zinc/19/42/18/573194218.db2.gz WLAMPDHEFIEZTR-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)c1cnnc2ccccc12 308786632 573194246 /nfs/dbraw/zinc/19/42/46/573194246.db2.gz BMKXSEUOQHJFMM-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN C[C@H](O)C1(C#N)CCC(C)(C)CC1 85891016 573194261 /nfs/dbraw/zinc/19/42/61/573194261.db2.gz CXNKRJTXGIIQES-VIFPVBQESA-N 0 0 181.279 2.477 10 30 AEEERN CCC1=CC(=O)C[C@H]1CC 238300653 573194271 /nfs/dbraw/zinc/19/42/71/573194271.db2.gz UBGVZKROWHZXNQ-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)(C)[C@H](O)C1(C#N)CCC1 85892477 573194286 /nfs/dbraw/zinc/19/42/86/573194286.db2.gz MSRNISFBYXSSMO-QMMMGPOBSA-N 0 0 167.252 2.087 10 30 AEEERN CCC[C@@H](O)C1(C#N)CCCC1 85890234 573194294 /nfs/dbraw/zinc/19/42/94/573194294.db2.gz OWWMFPXBKZBDBV-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN C=C(C)[C@H](C#N)OC(=O)[C@H](C)CC 308301128 573194299 /nfs/dbraw/zinc/19/42/99/573194299.db2.gz LYEPQKCPBYZMPG-BDAKNGLRSA-N 0 0 181.235 2.044 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCCC(C)(C)C1 85894286 573194312 /nfs/dbraw/zinc/19/43/12/573194312.db2.gz JJCYZNLQSGMLIQ-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccsc1[C@@](C)(O)[C@H](C)C#N 85892898 573194331 /nfs/dbraw/zinc/19/43/31/573194331.db2.gz CSYPZERDBABTGK-SCZZXKLOSA-N 0 0 195.287 2.424 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1cccc(F)c1F 85889372 573194372 /nfs/dbraw/zinc/19/43/72/573194372.db2.gz CPCRBDYXWRXWEI-QUBYGPBYSA-N 0 0 197.184 2.158 10 30 AEEERN CCC[C@H](O)[C@@](C)(C#N)CC 85890197 573194376 /nfs/dbraw/zinc/19/43/76/573194376.db2.gz ZEVHHNKVBCKNLO-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@H](C#N)[C@@H](O)[C@H]1CC=CCC1 85890716 573194392 /nfs/dbraw/zinc/19/43/92/573194392.db2.gz QSKSALVJGPTGGT-OUAUKWLOSA-N 0 0 179.263 2.253 10 30 AEEERN CC[C@H](C#N)[S@](=O)c1ccccc1 82788117 573194419 /nfs/dbraw/zinc/19/44/19/573194419.db2.gz FTPDJDHPURWNRQ-NOZJJQNGSA-N 0 0 193.271 2.096 10 30 AEEERN CC[C@@H]1CCC[C@](O)([C@@H](C)C#N)C1 85893968 573194441 /nfs/dbraw/zinc/19/44/41/573194441.db2.gz LYQLEDDFWXPBFG-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)[C@H](O)c1cccc(F)c1F 85889369 573194451 /nfs/dbraw/zinc/19/44/51/573194451.db2.gz CPCRBDYXWRXWEI-LDWIPMOCSA-N 0 0 197.184 2.158 10 30 AEEERN CC(C)(C#N)[C@H](O)[C@@H]1CC=CCC1 85890653 573194481 /nfs/dbraw/zinc/19/44/81/573194481.db2.gz UXRPFFNWOUTPHD-NXEZZACHSA-N 0 0 179.263 2.253 10 30 AEEERN CC[C@@H](C#N)N(CC)CCC1CC1 308301548 573194484 /nfs/dbraw/zinc/19/44/84/573194484.db2.gz MFPKULKEIDOLMV-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](O)[C@@]1(C#N)CCC[C@H](C)C1 85891199 573194518 /nfs/dbraw/zinc/19/45/18/573194518.db2.gz DNRYBPGKJUHHJO-DCAQKATOSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](CC#N)[S@](=O)c1cccs1 82788838 573198754 /nfs/dbraw/zinc/19/87/54/573198754.db2.gz DINNLXTYQAZAGN-JVXZTZIISA-N 0 0 199.300 2.158 10 30 AEEERN CCC[S@@](=O)[C@H]1CCCC[C@@H]1C#N 82788733 573198758 /nfs/dbraw/zinc/19/87/58/573198758.db2.gz DTGZMSBZDYYWMV-NRUUGDAUSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)(C)[S@@](=O)[C@@H]1CCC[C@@H]1C#N 82788713 573198777 /nfs/dbraw/zinc/19/87/77/573198777.db2.gz XVSBUVVQBIYLLK-JRKPZEMJSA-N 0 0 199.319 2.226 10 30 AEEERN CC[C@](O)(C1CC1)C(C)(C)C#N 85895224 573198778 /nfs/dbraw/zinc/19/87/78/573198778.db2.gz DOMBLZDBBMSROU-JTQLQIEISA-N 0 0 167.252 2.087 10 30 AEEERN CC[S@@](=O)[C@@H]1CCCCC[C@@H]1C#N 82788586 573198838 /nfs/dbraw/zinc/19/88/38/573198838.db2.gz XSGIOTSSFYARDL-BREBYQMCSA-N 0 0 199.319 2.227 10 30 AEEERN C[C@@H](C#N)C1(O)C[C@H](C)C[C@@H](C)C1 85894723 573198852 /nfs/dbraw/zinc/19/88/52/573198852.db2.gz UYAFNTJNPYFCDH-BBBLOLIVSA-N 0 0 181.279 2.333 10 30 AEEERN C[C@H]1CC[C@](O)(C2(C#N)CCC2)C1 85894442 573198856 /nfs/dbraw/zinc/19/88/56/573198856.db2.gz YGSGYYPOFHQYOO-GXSJLCMTSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCC[C@H](C2CC2)C1 85894675 573198897 /nfs/dbraw/zinc/19/88/97/573198897.db2.gz RTVNBPYVSSDXCW-ADEWGFFLSA-N 0 0 193.290 2.477 10 30 AEEERN Cc1cccc([S@@](=O)[C@H](C)C#N)c1 82789524 573198929 /nfs/dbraw/zinc/19/89/29/573198929.db2.gz UDOHORPQLMWVAE-NOZJJQNGSA-N 0 0 193.271 2.015 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCC[C@@H]1C 85895524 573199028 /nfs/dbraw/zinc/19/90/28/573199028.db2.gz WMLDJDBFNHMVAI-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[S@](=O)c1cccs1 82788847 573199054 /nfs/dbraw/zinc/19/90/54/573199054.db2.gz JTGFVXLCAXFPLS-JMCQJSRRSA-N 0 0 199.300 2.158 10 30 AEEERN CC[C@@H](C#N)[S@](=O)C1CCCCC1 82789273 573199061 /nfs/dbraw/zinc/19/90/61/573199061.db2.gz JHBFUCGVTJSNPU-TVQRCGJNSA-N 0 0 199.319 2.370 10 30 AEEERN CC[C@@H](C)C(=O)O[C@@H](C#N)C(C)C 308304205 573199087 /nfs/dbraw/zinc/19/90/87/573199087.db2.gz NMLDQSKPXJNDNW-BDAKNGLRSA-N 0 0 183.251 2.124 10 30 AEEERN CC[C@@H]1CC[C@@](O)([C@@H](C)C#N)C1 85894536 573199114 /nfs/dbraw/zinc/19/91/14/573199114.db2.gz GBNSRIPGAIVIRL-AEJSXWLSSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CC[C@H](C)C1 85894418 573199232 /nfs/dbraw/zinc/19/92/32/573199232.db2.gz OQILALOVCSRDJX-AEJSXWLSSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C)[S@@](=O)[C@@H]1CCC[C@@H]1C#N 82788488 573199260 /nfs/dbraw/zinc/19/92/60/573199260.db2.gz CSAJYGCTFTUWTC-WTBMIXGQSA-N 0 0 199.319 2.226 10 30 AEEERN O=CCC(F)(F)C1CCC1 258584486 573199281 /nfs/dbraw/zinc/19/92/81/573199281.db2.gz SRZMALVVZCMYKF-UHFFFAOYSA-N 0 0 148.152 2.011 10 30 AEEERN C[C@H]1CC[C@@](O)(C(C)(C)C#N)C1 85894382 573199298 /nfs/dbraw/zinc/19/92/98/573199298.db2.gz NNERMLFJDQRUOR-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN C=CCN(C(=O)CC)[C@@H](C)C(C)C 308304233 573199333 /nfs/dbraw/zinc/19/93/33/573199333.db2.gz NNNKUXVHJKBXJJ-JTQLQIEISA-N 0 0 183.295 2.456 10 30 AEEERN C[C@@H]1CCC[C@]1(O)C1(C#N)CCC1 85895544 573199336 /nfs/dbraw/zinc/19/93/36/573199336.db2.gz BUQWBYPUQGGLNF-MWLCHTKSSA-N 0 0 179.263 2.231 10 30 AEEERN CCC(=O)OCC(C)(C)CCC#N 308304232 573198728 /nfs/dbraw/zinc/19/87/28/573198728.db2.gz NNJHWIQRTHKKCZ-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN CCc1cccc(C2(C=O)CC2)c1 257969335 573202332 /nfs/dbraw/zinc/20/23/32/573202332.db2.gz YKCDIQYRNNKVRL-UHFFFAOYSA-N 0 0 174.243 2.480 10 30 AEEERN CCCC[C@@H](C)N[C@@H](C)C#N 50888205 573202357 /nfs/dbraw/zinc/20/23/57/573202357.db2.gz OONVNFMEMOHRIM-BDAKNGLRSA-N 0 0 154.257 2.067 10 30 AEEERN CCC(CC)COC(C)(C)C=O 387537585 573202406 /nfs/dbraw/zinc/20/24/06/573202406.db2.gz NXGGUCAFIKGZBD-UHFFFAOYSA-N 0 0 172.268 2.417 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)NC1(C)CC1 308272510 573202535 /nfs/dbraw/zinc/20/25/35/573202535.db2.gz SSYFMWFQPSTKEU-BDAKNGLRSA-N 0 0 181.279 2.113 10 30 AEEERN COc1c(C#N)ccc(F)c1Cl 257969066 573202594 /nfs/dbraw/zinc/20/25/94/573202594.db2.gz CQXCKWGHWGGUAW-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CCCC[C@H](C)N[C@H](C#N)CC 50888202 573202616 /nfs/dbraw/zinc/20/26/16/573202616.db2.gz IASWAXAPIYYCQR-UWVGGRQHSA-N 0 0 168.284 2.457 10 30 AEEERN Cn1c(N)cc(-c2ccccc2)c1C#N 259366994 573202673 /nfs/dbraw/zinc/20/26/73/573202673.db2.gz HADVVBVZYCTCRR-UHFFFAOYSA-N 0 0 197.241 2.146 10 30 AEEERN C[C@H](O)c1ccc([C@@H](C)CC=O)cc1 257968985 573202716 /nfs/dbraw/zinc/20/27/16/573202716.db2.gz CPPWBSICESNVOL-UWVGGRQHSA-N 0 0 192.258 2.432 10 30 AEEERN CCCN[C@](C)(C#N)C[C@@H](C)OCC 82796140 573202789 /nfs/dbraw/zinc/20/27/89/573202789.db2.gz PCTBMOVHPOYBDF-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN Cc1cc(C)c2c(c1)C(=O)[C@H](C#N)C2 74281564 573204673 /nfs/dbraw/zinc/20/46/73/573204673.db2.gz GIENWHAXIKCQNZ-VIFPVBQESA-N 0 0 185.226 2.182 10 30 AEEERN C#C[C@H](CCCCC)O[C@@H](C)[C@@H](C)O 393659804 573204856 /nfs/dbraw/zinc/20/48/56/573204856.db2.gz SRWCXMCOJURMKL-GRYCIOLGSA-N 0 0 198.306 2.354 10 30 AEEERN CCCC[C@H](C)N[C@@H](C#N)CC 50888204 573204864 /nfs/dbraw/zinc/20/48/64/573204864.db2.gz IASWAXAPIYYCQR-VHSXEESVSA-N 0 0 168.284 2.457 10 30 AEEERN Cc1ccc([C@@H](O)CS)cc1C 259369870 573204875 /nfs/dbraw/zinc/20/48/75/573204875.db2.gz WWHWADVZXWKBTF-JTQLQIEISA-N 0 0 182.288 2.267 10 30 AEEERN CC(C)CC=NNCCOC(C)C 388686377 573204993 /nfs/dbraw/zinc/20/49/93/573204993.db2.gz JXAHSPHYXZDVBV-UHFFFAOYSA-N 0 0 186.299 2.033 10 30 AEEERN Cc1ccc(C)c2c1C[C@H](C#N)C2=O 74281569 573205004 /nfs/dbraw/zinc/20/50/04/573205004.db2.gz WUZBIGRQXVZXSK-SECBINFHSA-N 0 0 185.226 2.182 10 30 AEEERN Cc1nc(SC[C@]2(C)CO2)oc1C 235961479 573205005 /nfs/dbraw/zinc/20/50/05/573205005.db2.gz KSOCLOSRQGAKGQ-VIFPVBQESA-N 0 0 199.275 2.172 10 30 AEEERN C=CCC[C@](C)(C#N)NCC=C 132084625 573205034 /nfs/dbraw/zinc/20/50/34/573205034.db2.gz UIOZDHFECNUJIY-SNVBAGLBSA-N 0 0 164.252 2.010 10 30 AEEERN C=CCC[C@@](C)([NH2+]CC(C)C)C(=O)[O-] 132098362 573205154 /nfs/dbraw/zinc/20/51/54/573205154.db2.gz MMXGLXSFRALTTJ-LLVKDONJSA-N 0 0 199.294 2.042 10 30 AEEERN C=CCc1ccc2c(c1)CCN2C 238313329 573207944 /nfs/dbraw/zinc/20/79/44/573207944.db2.gz SFFMWHXZHYSUIA-UHFFFAOYSA-N 0 0 173.259 2.407 10 30 AEEERN C=CC[C@@H](C)C(=O)N(CC)CC 1144008646 758113269 /nfs/dbraw/zinc/11/32/69/758113269.db2.gz ORAQSFPHQNJGDY-SECBINFHSA-N 0 0 169.268 2.067 10 30 AEEERN C=CC[C@H](C)C(=O)N(CC)CC 1144008647 758117684 /nfs/dbraw/zinc/11/76/84/758117684.db2.gz ORAQSFPHQNJGDY-VIFPVBQESA-N 0 0 169.268 2.067 10 30 AEEERN C=CC[C@H](C)C(=O)N[C@@H](C)CC 1144027495 758119661 /nfs/dbraw/zinc/11/96/61/758119661.db2.gz QEFFNWVMEPEXFE-IUCAKERBSA-N 0 0 169.268 2.113 10 30 AEEERN C=CC[C@@H](C)C(=O)N[C@@H](C)CC 1144027492 758121674 /nfs/dbraw/zinc/12/16/74/758121674.db2.gz QEFFNWVMEPEXFE-BDAKNGLRSA-N 0 0 169.268 2.113 10 30 AEEERN N#CCSc1ccc(N)c(F)c1 85935926 573211508 /nfs/dbraw/zinc/21/15/08/573211508.db2.gz XIGPCISQKFFQAD-UHFFFAOYSA-N 0 0 182.223 2.024 10 30 AEEERN N#Cc1cc2sc(N)cc2cc1F 306578668 573211584 /nfs/dbraw/zinc/21/15/84/573211584.db2.gz MREBGTCNBJFUQT-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN COc1c(C)ccc(CCC=O)c1C 257971080 573211623 /nfs/dbraw/zinc/21/16/23/573211623.db2.gz CWAJWJQXKHZTEX-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN C#CCC[C@@](C)(O)CCC=C 132117002 573214238 /nfs/dbraw/zinc/21/42/38/573214238.db2.gz NIZUEFGUMAKWTJ-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN C=CC[C@H](C)C(=O)N[C@H](C)CC 1144027494 758125852 /nfs/dbraw/zinc/12/58/52/758125852.db2.gz QEFFNWVMEPEXFE-DTWKUNHWSA-N 0 0 169.268 2.113 10 30 AEEERN CC[C@@H](C#Cc1ccccc1)CO 238306872 573214355 /nfs/dbraw/zinc/21/43/55/573214355.db2.gz KSXIFHDFWJHACF-NSHDSACASA-N 0 0 174.243 2.057 10 30 AEEERN C=CC[C@@H](C)C(=O)N[C@H](C)CC 1144027497 758128841 /nfs/dbraw/zinc/12/88/41/758128841.db2.gz QEFFNWVMEPEXFE-RKDXNWHRSA-N 0 0 169.268 2.113 10 30 AEEERN C=C(C)[C@@]1(O)CCC[C@@H](OC)CC1 642877272 573214605 /nfs/dbraw/zinc/21/46/05/573214605.db2.gz FHKFJJZYUUETCH-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN C=C[C@]1(CC)C=C[C@H](O)CC1 238308748 573218567 /nfs/dbraw/zinc/21/85/67/573218567.db2.gz GPTNQXJWHSJOOV-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H](C)OC[C@H](O)c1ccccc1 238411643 573218056 /nfs/dbraw/zinc/21/80/56/573218056.db2.gz SYUYYQHGHBZBKX-PWSUYJOCSA-N 0 0 192.258 2.311 10 30 AEEERN C[C@H]1CC(OCC#N)C[C@H](C)C1 82834460 573218080 /nfs/dbraw/zinc/21/80/80/573218080.db2.gz QWAVECFIDHSAFH-RKDXNWHRSA-N 0 0 167.252 2.351 10 30 AEEERN CCn1nc(N=[N+]=[N-])c(N=[N+]=[N-])n1 238307753 573218114 /nfs/dbraw/zinc/21/81/14/573218114.db2.gz LHCZBIBMPBULHK-UHFFFAOYSA-N 0 0 179.147 2.182 10 30 AEEERN Cc1ccccc1[C@@](C)(C#N)CCO 259379049 573218125 /nfs/dbraw/zinc/21/81/25/573218125.db2.gz BFRAARFTUMDKPZ-GFCCVEGCSA-N 0 0 189.258 2.159 10 30 AEEERN C[C@@H]1CC(OCC=O)C[C@@H](C)C1 82834500 573218259 /nfs/dbraw/zinc/21/82/59/573218259.db2.gz OSDUOVXBOAQPRQ-IUCAKERBSA-N 0 0 170.252 2.027 10 30 AEEERN C/C=C\[C@@H](O)CC#C[Si](C)(C)C 205250515 573218341 /nfs/dbraw/zinc/21/83/41/573218341.db2.gz YCCRZWXONVZWMD-ONRRBMGISA-N 0 0 182.339 2.194 10 30 AEEERN CCCC[C@@H](O)C(Cl)(Cl)C#N 197212533 573218343 /nfs/dbraw/zinc/21/83/43/573218343.db2.gz ZDZHUQOIHRSPGZ-ZCFIWIBFSA-N 0 0 196.077 2.235 10 30 AEEERN CCSCCCN1CCC[C@@H]1C#N 129131022 573218347 /nfs/dbraw/zinc/21/83/47/573218347.db2.gz GVZDIJXGEFTHRM-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN CCc1ccccc1C#CCOC 238308952 573218353 /nfs/dbraw/zinc/21/83/53/573218353.db2.gz GKYHCSUWNFZMMG-UHFFFAOYSA-N 0 0 174.243 2.247 10 30 AEEERN Cc1cc(F)ccc1[C@@H](O)CCC=O 308517398 573218522 /nfs/dbraw/zinc/21/85/22/573218522.db2.gz FWIDILHMHOKITC-NSHDSACASA-N 0 0 196.221 2.147 10 30 AEEERN C[C@@H]1CC(OC[C@@H]2CO2)C[C@@H](C)C1 82834388 573218886 /nfs/dbraw/zinc/21/88/86/573218886.db2.gz DDHQDNQJAGDEDD-ATZCPNFKSA-N 0 0 184.279 2.227 10 30 AEEERN O=CCc1coc2cc(F)ccc12 257974233 573218893 /nfs/dbraw/zinc/21/88/93/573218893.db2.gz AHNVOJIGBMYDEA-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN O=CC[C@H]1Cc2cccc(F)c2C1 257973132 573218900 /nfs/dbraw/zinc/21/89/00/573218900.db2.gz YVBNLEUEKNVPFQ-QMMMGPOBSA-N 0 0 178.206 2.130 10 30 AEEERN CN1CC[C@H](CC=O)c2ccccc21 238308619 573218907 /nfs/dbraw/zinc/21/89/07/573218907.db2.gz ZMJSQEFMYUXVPU-SNVBAGLBSA-N 0 0 189.258 2.199 10 30 AEEERN C=CCNC1(C#N)C[C@@H](C)C[C@H](C)C1 82831145 573218913 /nfs/dbraw/zinc/21/89/13/573218913.db2.gz XTLZKCDUTAIBKA-QWRGUYRKSA-N 0 0 192.306 2.480 10 30 AEEERN CCCC[C@H](O)C(Cl)(Cl)C#N 197212521 573219081 /nfs/dbraw/zinc/21/90/81/573219081.db2.gz ZDZHUQOIHRSPGZ-LURJTMIESA-N 0 0 196.077 2.235 10 30 AEEERN C=CCNC1(C#N)C[C@H](C)C[C@@H](C)C1 82831146 573219125 /nfs/dbraw/zinc/21/91/25/573219125.db2.gz XTLZKCDUTAIBKA-GHMZBOCLSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@H]1C[C@H](C)CC(C#N)(NC2CC2)C1 82831063 573219132 /nfs/dbraw/zinc/21/91/32/573219132.db2.gz SVYQKHXMLMTNJP-UWVGGRQHSA-N 0 0 192.306 2.457 10 30 AEEERN C=C1[C@H](C[C@@H](C)O)[C@@]1(C)CC 238308229 573219133 /nfs/dbraw/zinc/21/91/33/573219133.db2.gz BVSZWSCEARSHIY-JEZHCXPESA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](C)Nc1ccc(C#N)c(C#N)c1 235559917 573219227 /nfs/dbraw/zinc/21/92/27/573219227.db2.gz WFLXMWNZARBNQI-VIFPVBQESA-N 0 0 197.241 2.416 10 30 AEEERN C#C[C@H](C)Oc1c(F)cccc1C=O 235545273 573219274 /nfs/dbraw/zinc/21/92/74/573219274.db2.gz DAFBNIDUHUQWSQ-QMMMGPOBSA-N 0 0 192.189 2.039 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)/C(C)=C\C 308318110 573220504 /nfs/dbraw/zinc/22/05/04/573220504.db2.gz WXQPYANULLYYMZ-CBFJXKFUSA-N 0 0 181.279 2.233 10 30 AEEERN CCSCCCN1CCC[C@H]1C#N 129131238 573220531 /nfs/dbraw/zinc/22/05/31/573220531.db2.gz GVZDIJXGEFTHRM-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN CNC(=C(C)C(C)=O)c1ccccc1 238320585 573220620 /nfs/dbraw/zinc/22/06/20/573220620.db2.gz PTOIRUCTIKNFNR-XFXZXTDPSA-N 0 0 189.258 2.226 10 30 AEEERN CSCCCN1CCCC[C@H]1C#N 129132113 573220643 /nfs/dbraw/zinc/22/06/43/573220643.db2.gz GBGKISMDBQBELY-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN CC[C@@H](C)C(C)=NNCCCOC 308318122 573220649 /nfs/dbraw/zinc/22/06/49/573220649.db2.gz WYCRDOWWICMADC-SECBINFHSA-N 0 0 186.299 2.035 10 30 AEEERN C[C@H]1CC(N(C)CC#N)C[C@H](C)C1 82832726 573220663 /nfs/dbraw/zinc/22/06/63/573220663.db2.gz ORIURKQKGYTYOC-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN COc1cnc(C2CCC2)cc1C#N 258592139 573220696 /nfs/dbraw/zinc/22/06/96/573220696.db2.gz MFRMTCJDLGMVBL-UHFFFAOYSA-N 0 0 188.230 2.229 10 30 AEEERN C[C@@H]1CC(OCC#N)C[C@@H](C)C1 82834459 573220784 /nfs/dbraw/zinc/22/07/84/573220784.db2.gz QWAVECFIDHSAFH-IUCAKERBSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@H]1CC(OCC=O)C[C@H](C)C1 82834501 573220797 /nfs/dbraw/zinc/22/07/97/573220797.db2.gz OSDUOVXBOAQPRQ-RKDXNWHRSA-N 0 0 170.252 2.027 10 30 AEEERN CCSCCN1CCCC[C@H]1C#N 129131673 573220815 /nfs/dbraw/zinc/22/08/15/573220815.db2.gz KBKMYMJCEDDIJN-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN CC[C@]1(CCC#N)CCCC1=O 238309426 573220860 /nfs/dbraw/zinc/22/08/60/573220860.db2.gz NIBXGAVESCULAT-SNVBAGLBSA-N 0 0 165.236 2.440 10 30 AEEERN C=CCC(=O)c1ccnc(C)c1 235740006 573220922 /nfs/dbraw/zinc/22/09/22/573220922.db2.gz XITFKRRKWWYOND-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN CO[C@H](C)c1cccc(C#N)c1 259382206 573221023 /nfs/dbraw/zinc/22/10/23/573221023.db2.gz KDXBVQVOTDZWLW-MRVPVSSYSA-N 0 0 161.204 2.266 10 30 AEEERN CC[C@H](C)CON=C[C@@H](C)COC 308318099 573223998 /nfs/dbraw/zinc/22/39/98/573223998.db2.gz WXHCOEOSPJNZDC-VHSXEESVSA-N 0 0 187.283 2.317 10 30 AEEERN CC(C)(F)[C@H](C#N)C1CC1 258592544 573224066 /nfs/dbraw/zinc/22/40/66/573224066.db2.gz UCMNPZTZJBWTBU-SSDOTTSWSA-N 0 0 141.189 2.284 10 30 AEEERN CCC1=CC(=O)C(CC)=C(C)C1=O 238309445 573224095 /nfs/dbraw/zinc/22/40/95/573224095.db2.gz FPDBQMCNNYGFQA-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN CC(C)(C)C[C@@]1(C)OC[C@@H](CC#N)O1 258593029 573224129 /nfs/dbraw/zinc/22/41/29/573224129.db2.gz JRXWCWJZQHSTJQ-KOLCDFICSA-N 0 0 197.278 2.468 10 30 AEEERN CCOCCNc1ccc(C#N)s1 308319144 573224140 /nfs/dbraw/zinc/22/41/40/573224140.db2.gz ZFZJPVFVQKLMCN-UHFFFAOYSA-N 0 0 196.275 2.068 10 30 AEEERN CCN[C@]1(C#N)CC[C@H](C)[C@H](C)C1 82838017 573224174 /nfs/dbraw/zinc/22/41/74/573224174.db2.gz KPVPNUJXRHSFGG-HBNTYKKESA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1C[C@H](OCC#N)CC[C@H]1C 82840707 573224264 /nfs/dbraw/zinc/22/42/64/573224264.db2.gz FNLDVXXRDRLWOY-KXUCPTDWSA-N 0 0 167.252 2.351 10 30 AEEERN Cc1ccccc1-c1onc(C#N)c1N 259603801 573224306 /nfs/dbraw/zinc/22/43/06/573224306.db2.gz BFBRNFYALJEPDE-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN C[N@@H+]1CCC[C@H](C2(C#N)CCC2)C1 259382394 573224317 /nfs/dbraw/zinc/22/43/17/573224317.db2.gz VWSWBEHRGIQIFJ-JTQLQIEISA-N 0 0 178.279 2.022 10 30 AEEERN C=CCC[C@@](C)(O)c1nccn1CC 132121837 573224724 /nfs/dbraw/zinc/22/47/24/573224724.db2.gz NCJDYLGPIVQSCK-LLVKDONJSA-N 0 0 194.278 2.077 10 30 AEEERN C[C@H]1C[C@@](C#N)(NC2CC2)CC[C@H]1C 82838048 573226792 /nfs/dbraw/zinc/22/67/92/573226792.db2.gz KEJQYYIPBRJRSV-SCVCMEIPSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H]1C[C@@H](OCC#N)CC[C@H]1C 82840703 573226821 /nfs/dbraw/zinc/22/68/21/573226821.db2.gz FNLDVXXRDRLWOY-UTLUCORTSA-N 0 0 167.252 2.351 10 30 AEEERN Cc1ccc(C(=O)CCS)o1 259039148 573226974 /nfs/dbraw/zinc/22/69/74/573226974.db2.gz FLZOYTRIMSVWTD-UHFFFAOYSA-N 0 0 170.233 2.091 10 30 AEEERN N#Cc1c[nH]c(Oc2ccccc2)n1 259386957 573227080 /nfs/dbraw/zinc/22/70/80/573227080.db2.gz ABNIHNFCZOJCTC-UHFFFAOYSA-N 0 0 185.186 2.074 10 30 AEEERN COc1cccc(CCC#N)c1OC 62169843 573227103 /nfs/dbraw/zinc/22/71/03/573227103.db2.gz MJUYKALIYNFWPF-UHFFFAOYSA-N 0 0 191.230 2.160 10 30 AEEERN CN(c1ncc(C#N)s1)C(C)(C)C 258598975 573227144 /nfs/dbraw/zinc/22/71/44/573227144.db2.gz AYWDUCGCFFMRKZ-UHFFFAOYSA-N 0 0 195.291 2.249 10 30 AEEERN C[C@H](NCS)c1ccccc1 258599428 573227779 /nfs/dbraw/zinc/22/77/79/573227779.db2.gz HHCWHSDYEQJTLO-QMMMGPOBSA-N 0 0 167.277 2.225 10 30 AEEERN C[C@@H]1C[C@@H]1/N=C\c1ccccc1O 308312543 573227917 /nfs/dbraw/zinc/22/79/17/573227917.db2.gz SIMVRLNHCVCOOJ-UWYHPKGXSA-N 0 0 175.231 2.220 10 30 AEEERN CC1=CCC[C@@H](CC=O)C1 115899856 573228028 /nfs/dbraw/zinc/22/80/28/573228028.db2.gz FNCYDCAURLKZAD-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=C(CSC(C)C)C(=O)OCC 69907169 573228070 /nfs/dbraw/zinc/22/80/70/573228070.db2.gz CRNWRFWTVYLYMX-UHFFFAOYSA-N 0 0 188.292 2.247 10 30 AEEERN CCC(C)(C)C(=O)OC[C@@H](C)C#N 308311065 573228077 /nfs/dbraw/zinc/22/80/77/573228077.db2.gz RLHLSVSVLLPJAA-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN CC[C@@](C)(C#N)OC(=O)C1CCC1 308311002 573228112 /nfs/dbraw/zinc/22/81/12/573228112.db2.gz RIKHWIXVMJBWTB-JTQLQIEISA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@](C)(C#N)OC(=O)C1CCC1 308311004 573229473 /nfs/dbraw/zinc/22/94/73/573229473.db2.gz RIKHWIXVMJBWTB-SNVBAGLBSA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@H]1CCC[C@@H](NCC#N)C1 82847567 573229646 /nfs/dbraw/zinc/22/96/46/573229646.db2.gz LTTTXZPUXQJGCU-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN Cc1ccc(CCC=O)c(O)c1Cl 258240945 573229659 /nfs/dbraw/zinc/22/96/59/573229659.db2.gz WVBIFTIQFSOLSZ-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN CC[C@@H]1CCC[C@@H](N[C@@H](C)C#N)C1 82847681 573229765 /nfs/dbraw/zinc/22/97/65/573229765.db2.gz GBXRXJQIFXKVCA-HBNTYKKESA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@]1(C=O)CCCC1(F)F 258598061 573229773 /nfs/dbraw/zinc/22/97/73/573229773.db2.gz URMQSKBWEZFEGP-LURJTMIESA-N 0 0 148.152 2.011 10 30 AEEERN Cc1ccc2c(c1)CC[C@@H](C#N)CO2 259388677 573234346 /nfs/dbraw/zinc/23/43/46/573234346.db2.gz AGTUTKGSMWOGQZ-JTQLQIEISA-N 0 0 187.242 2.460 10 30 AEEERN Cc1ccc(C)c2c1CNC[C@H]2C#N 259388706 573234379 /nfs/dbraw/zinc/23/43/79/573234379.db2.gz AHOOQYGERBVBQJ-SNVBAGLBSA-N 0 0 186.258 2.014 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@H](C)CCOC 715708791 573234411 /nfs/dbraw/zinc/23/44/11/573234411.db2.gz IGBDMUGQXBYXFV-ZJUUUORDSA-N 0 0 184.279 2.440 10 30 AEEERN C=CCC[C@@](C)(O)Cc1nccs1 132151286 573234464 /nfs/dbraw/zinc/23/44/64/573234464.db2.gz AOBHZGJHSSSMFX-SNVBAGLBSA-N 0 0 197.303 2.403 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@@H](C)[C@@H]1C 224699899 573234484 /nfs/dbraw/zinc/23/44/84/573234484.db2.gz KYKRVFREDIOXEO-VWYCJHECSA-N 0 0 180.295 2.409 10 30 AEEERN Cc1ccc(CS)c(N)c1 258242295 573234503 /nfs/dbraw/zinc/23/45/03/573234503.db2.gz ZYFQZEZHKQXGOV-UHFFFAOYSA-N 0 0 153.250 2.007 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@H]1C/C=C/CO 308525394 573234508 /nfs/dbraw/zinc/23/45/08/573234508.db2.gz AWFBXWCZFVGXCY-SEUFLZDSSA-N 0 0 194.274 2.096 10 30 AEEERN C=C(C)[C@@H](O)C1CCCC1 86020100 573234576 /nfs/dbraw/zinc/23/45/76/573234576.db2.gz FSBZNWNHYJMICA-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN CCC(CC)CN1CCC[C@H]1C#N 129115611 573234593 /nfs/dbraw/zinc/23/45/93/573234593.db2.gz PDXIGHVJEKNNPM-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN C#CCCOc1cc(C)ccc1C#N 235759988 573234634 /nfs/dbraw/zinc/23/46/34/573234634.db2.gz MYQRYBZSWSWXQC-UHFFFAOYSA-N 0 0 185.226 2.269 10 30 AEEERN CC1(C)C[C@@]1(C#N)c1ccc[nH]1 259041306 573234986 /nfs/dbraw/zinc/23/49/86/573234986.db2.gz SWUJVCKLYZKYKM-SNVBAGLBSA-N 0 0 160.220 2.206 10 30 AEEERN C=C[C@H](NOC)c1cccc(OC)c1 308527460 573235025 /nfs/dbraw/zinc/23/50/25/573235025.db2.gz BKFQVZMHYNOYOE-NSHDSACASA-N 0 0 193.246 2.073 10 30 AEEERN CC[C@@H]1CC/C(=N\O)C1 105027402 573235086 /nfs/dbraw/zinc/23/50/86/573235086.db2.gz WVDCOSORLJXKOX-UCTBAKFRSA-N 0 0 127.187 2.027 10 30 AEEERN C[C@H]1C[C@@](C#N)(N(C)C)CC[C@H]1C 82849886 573235170 /nfs/dbraw/zinc/23/51/70/573235170.db2.gz QDCNSDALNODDAA-VWYCJHECSA-N 0 0 180.295 2.266 10 30 AEEERN CCO[C@H]1SCCC[C@H]1CC#N 259388715 573235196 /nfs/dbraw/zinc/23/51/96/573235196.db2.gz AHQZWRYSCPGTMD-IUCAKERBSA-N 0 0 185.292 2.406 10 30 AEEERN C=C(C)C(=O)[C@H](C)CC 86022921 573235235 /nfs/dbraw/zinc/23/52/35/573235235.db2.gz SHTKHGFPVCTKDH-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCSCC(=O)O[C@@H]1C=CCC1 308323290 573235272 /nfs/dbraw/zinc/23/52/72/573235272.db2.gz CWKQPYVGGVKSTD-SECBINFHSA-N 0 0 198.287 2.167 10 30 AEEERN CC#CCC[C@H](NN)[C@H]1CC[C@H](C)C1 253016642 573235380 /nfs/dbraw/zinc/23/53/80/573235380.db2.gz VQABSZHYCSMPPX-SRVKXCTJSA-N 0 0 194.322 2.058 10 30 AEEERN Cc1[nH]c2ccc(C=O)cc2c1C#N 259388614 573235381 /nfs/dbraw/zinc/23/53/81/573235381.db2.gz AFQBNUIOYSMLEH-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN CCc1cnc(CC#N)cc1C 238322775 573235397 /nfs/dbraw/zinc/23/53/97/573235397.db2.gz VZOWYAYUDMFNCT-UHFFFAOYSA-N 0 0 160.220 2.019 10 30 AEEERN C=CCSCC(=O)O[C@H]1C=CCC1 308323291 573235414 /nfs/dbraw/zinc/23/54/14/573235414.db2.gz CWKQPYVGGVKSTD-VIFPVBQESA-N 0 0 198.287 2.167 10 30 AEEERN CN[C@H](CC#N)c1ccc(F)cc1F 259389817 573235423 /nfs/dbraw/zinc/23/54/23/573235423.db2.gz MGNBIARELKSOGU-SNVBAGLBSA-N 0 0 196.200 2.139 10 30 AEEERN C=CCC[C@@](C)(O)c1ccoc1 132164288 573235467 /nfs/dbraw/zinc/23/54/67/573235467.db2.gz WRLFMSUAYGWXNB-SNVBAGLBSA-N 0 0 166.220 2.453 10 30 AEEERN Cc1ccc(C)c2c1CNC[C@@H]2C#N 259388704 573235690 /nfs/dbraw/zinc/23/56/90/573235690.db2.gz AHOOQYGERBVBQJ-JTQLQIEISA-N 0 0 186.258 2.014 10 30 AEEERN N#Cc1cc(N)c2sc(C#N)cc2c1 306860945 573235727 /nfs/dbraw/zinc/23/57/27/573235727.db2.gz GQYCTMOTPFCQPJ-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CNC1=C(Cl)C(=O)c2ccccc21 238323064 573235784 /nfs/dbraw/zinc/23/57/84/573235784.db2.gz ATZVUDSSXSGZEM-UHFFFAOYSA-N 0 0 193.633 2.010 10 30 AEEERN C=C(C)C(=O)c1ccc2nccnc2c1 86023034 573235868 /nfs/dbraw/zinc/23/58/68/573235868.db2.gz XLRKHTPAOPXNEE-UHFFFAOYSA-N 0 0 198.225 2.389 10 30 AEEERN N#C[C@@H]1C[C@@H](C2CCCC2)CCN1 259388643 573235884 /nfs/dbraw/zinc/23/58/84/573235884.db2.gz AFUOYOLQIWVSBG-QWRGUYRKSA-N 0 0 178.279 2.068 10 30 AEEERN C=CCN(CCC)C(=O)c1ccco1 132192031 573235912 /nfs/dbraw/zinc/23/59/12/573235912.db2.gz BAAXLEFNCYTEHM-UHFFFAOYSA-N 0 0 193.246 2.318 10 30 AEEERN C=C[C@@H](C)OC(=O)c1occc1C 308323788 573235990 /nfs/dbraw/zinc/23/59/90/573235990.db2.gz DHNKRPYDFMDKBP-MRVPVSSYSA-N 0 0 180.203 2.319 10 30 AEEERN N#Cc1c(F)cc(N)c2ccsc12 306586040 573235996 /nfs/dbraw/zinc/23/59/96/573235996.db2.gz SYXWZWPCZOVKFX-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CNC=C(Cl)C(=O)c1ccccc1 238314893 573238682 /nfs/dbraw/zinc/23/86/82/573238682.db2.gz WNAHYBAKTDOZHQ-VQHVLOKHSA-N 0 0 195.649 2.169 10 30 AEEERN CN[C@@H](CC#N)c1ccc(F)cc1F 259389814 573238693 /nfs/dbraw/zinc/23/86/93/573238693.db2.gz MGNBIARELKSOGU-JTQLQIEISA-N 0 0 196.200 2.139 10 30 AEEERN CC[C@H](C)ON=Cc1cccnc1 308323312 573238751 /nfs/dbraw/zinc/23/87/51/573238751.db2.gz CWVDXDWGVVMPTH-VIFPVBQESA-N 0 0 178.235 2.231 10 30 AEEERN C=C(C)C(=O)CSCCC 86023153 573238782 /nfs/dbraw/zinc/23/87/82/573238782.db2.gz ZXOXZZNHXNBRKT-UHFFFAOYSA-N 0 0 158.266 2.275 10 30 AEEERN Cc1ccoc1CN[C@H](C)[C@H](C)C#N 308528861 573238785 /nfs/dbraw/zinc/23/87/85/573238785.db2.gz RHKCGKJSWLPUNQ-NXEZZACHSA-N 0 0 192.262 2.226 10 30 AEEERN N#Cc1c(C(F)F)ccc2[nH]cnc12 306589816 573238843 /nfs/dbraw/zinc/23/88/43/573238843.db2.gz XKTVPKGAQAQWEF-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN C=C(C)C(=O)Cc1cccs1 86022656 573238859 /nfs/dbraw/zinc/23/88/59/573238859.db2.gz MIBPSLHDIBVJOF-UHFFFAOYSA-N 0 0 166.245 2.436 10 30 AEEERN CC1(OC(=O)CCCC#N)CCC1 308315599 573238933 /nfs/dbraw/zinc/23/89/33/573238933.db2.gz VECPHYOLRBCCIO-UHFFFAOYSA-N 0 0 181.235 2.166 10 30 AEEERN C=C(Cl)CNC/C=C/Cl 236012813 573238965 /nfs/dbraw/zinc/23/89/65/573238965.db2.gz XOTAEXAVJXPNEI-NSCUHMNNSA-N 0 0 166.051 2.081 10 30 AEEERN CCCC[C@@H](C)NC(=O)C(C)(C)C#N 50889297 573239055 /nfs/dbraw/zinc/23/90/55/573239055.db2.gz GMNUOEHTBPXTIV-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN CC/C=C\C(=O)c1cccnc1OC 308528925 573239141 /nfs/dbraw/zinc/23/91/41/573239141.db2.gz KBXADCCSRMOEDG-DAXSKMNVSA-N 0 0 191.230 2.239 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(NC2CC2)[C@H](C)C1 82860194 573239150 /nfs/dbraw/zinc/23/91/50/573239150.db2.gz CKDMBSDBTDWFNJ-FOGDFJRCSA-N 0 0 192.306 2.457 10 30 AEEERN CC1(C)C[C@]1(C#N)c1ccc[nH]1 259041305 573239156 /nfs/dbraw/zinc/23/91/56/573239156.db2.gz SWUJVCKLYZKYKM-JTQLQIEISA-N 0 0 160.220 2.206 10 30 AEEERN C#CCCCOC(=O)CCCC=C 308323481 573239171 /nfs/dbraw/zinc/23/91/71/573239171.db2.gz CYZADUDWRQPXKN-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C=C(C)C(=O)[C@@H](C)CC 86022927 573239213 /nfs/dbraw/zinc/23/92/13/573239213.db2.gz SHTKHGFPVCTKDH-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCN(CCC)C(=O)CCC 132192914 573239221 /nfs/dbraw/zinc/23/92/21/573239221.db2.gz ZJFURWMBBHSGSV-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN CCCC[C@H](C)NC(=O)C(C)(C)C#N 50889298 573240535 /nfs/dbraw/zinc/24/05/35/573240535.db2.gz GMNUOEHTBPXTIV-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN C=CCCN(C)C(=O)C(C)=C(C)C 308324093 573240589 /nfs/dbraw/zinc/24/05/89/573240589.db2.gz DIEVWBCQHFWBBZ-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN CCN[C@]1(C#N)CCC[C@H](C)[C@@H]1C 82860154 573240635 /nfs/dbraw/zinc/24/06/35/573240635.db2.gz PPMPFGQUZDCRAS-DCAQKATOSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCN[C@]1(C#N)CCC[C@H](C)[C@H]1C 82860383 573240656 /nfs/dbraw/zinc/24/06/56/573240656.db2.gz QNEZJCIEJWGKIV-TUAOUCFPSA-N 0 0 192.306 2.480 10 30 AEEERN C=CCC[C@](C)(O)c1ccco1 132193863 573240676 /nfs/dbraw/zinc/24/06/76/573240676.db2.gz QAGQCFJITGCGHL-JTQLQIEISA-N 0 0 166.220 2.453 10 30 AEEERN C=CCC[C@@](C)(O)C1CCOCC1 132177029 573240683 /nfs/dbraw/zinc/24/06/83/573240683.db2.gz YJUAPPUAQFNJNY-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN CCCC[C@@H](C)NC(=O)[C@@H](C#N)CC 50889303 573240755 /nfs/dbraw/zinc/24/07/55/573240755.db2.gz TWNIMNBAGCEJMA-NXEZZACHSA-N 0 0 196.294 2.231 10 30 AEEERN CN/C(=N/c1ccccc1)OC(C)C 238314401 573240849 /nfs/dbraw/zinc/24/08/49/573240849.db2.gz AUFBBRAXZMMRFY-UHFFFAOYSA-N 0 0 192.262 2.319 10 30 AEEERN C=CCC(=O)CC1(COC)CCC1 308324375 573240871 /nfs/dbraw/zinc/24/08/71/573240871.db2.gz DTPYAOUFRJAOFX-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN C#CCCCON=Cc1ccco1 308324311 573240899 /nfs/dbraw/zinc/24/08/99/573240899.db2.gz DOJZATWGXBKNQL-UHFFFAOYSA-N 0 0 177.203 2.044 10 30 AEEERN CCN[C@@H](C#N)C1(C(C)C)CCC1 686132494 573240931 /nfs/dbraw/zinc/24/09/31/573240931.db2.gz FBAOIPJEOKQCEM-JTQLQIEISA-N 0 0 180.295 2.314 10 30 AEEERN C=CCC[C@H](O)[C@@]1(C)CC=CCO1 215099715 573240954 /nfs/dbraw/zinc/24/09/54/573240954.db2.gz IDHYJNPQPNNMOV-WDEREUQCSA-N 0 0 182.263 2.049 10 30 AEEERN CCN[C@]1(C#N)CC[C@H](C)C[C@@H]1C 82860158 573241032 /nfs/dbraw/zinc/24/10/32/573241032.db2.gz YXWKCLRFMGBOTH-DCAQKATOSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@]12CC[C@@H](COC1)[C@]2(C)CC#N 306867656 573241039 /nfs/dbraw/zinc/24/10/39/573241039.db2.gz PUTBGKFAHLDOLY-AXFHLTTASA-N 0 0 179.263 2.353 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(NC2CC2)[C@@H]1C 82860192 573241071 /nfs/dbraw/zinc/24/10/71/573241071.db2.gz NQFFSXGYZZZROD-CKYFFXLPSA-N 0 0 192.306 2.457 10 30 AEEERN C=CCC[C@H](O)[C@]1(C)CC=CCO1 215099758 573241081 /nfs/dbraw/zinc/24/10/81/573241081.db2.gz IDHYJNPQPNNMOV-QWRGUYRKSA-N 0 0 182.263 2.049 10 30 AEEERN Cc1ccc(C[C@@H](N)C#N)c(C)c1C 259043930 573241459 /nfs/dbraw/zinc/24/14/59/573241459.db2.gz KWBZPHAJOOHVNY-GFCCVEGCSA-N 0 0 188.274 2.005 10 30 AEEERN C=CC[C@H](C[C@@H](C)C(C)(C)C)NN 129164785 573241465 /nfs/dbraw/zinc/24/14/65/573241465.db2.gz YGIBCKBKEAAPID-NXEZZACHSA-N 0 0 184.327 2.467 10 30 AEEERN C=CC[C@@H]1C=CC[C@@H](C/C=C\CO)O1 308529214 573241466 /nfs/dbraw/zinc/24/14/66/573241466.db2.gz BYQZLACPECCGAJ-OPVGQWETSA-N 0 0 194.274 2.215 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@@H](C)C[C@H]1C 82860386 573241476 /nfs/dbraw/zinc/24/14/76/573241476.db2.gz UBXHEGNBNIYWCT-UTUOFQBUSA-N 0 0 192.306 2.480 10 30 AEEERN N#C[C@H](c1cc[nH]c1)c1ccccn1 259045554 573241489 /nfs/dbraw/zinc/24/14/89/573241489.db2.gz FWYHHQQLDROSKN-SNVBAGLBSA-N 0 0 183.214 2.065 10 30 AEEERN CC(C)[C@H](C)Nc1ccncc1C#N 306864272 573241547 /nfs/dbraw/zinc/24/15/47/573241547.db2.gz KBWDADIAQSTQBI-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN C=CCC[C@](C)(O)Cc1ccccn1 132208178 573241596 /nfs/dbraw/zinc/24/15/96/573241596.db2.gz QMIZKFOGEJAOIQ-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN CCN[C@]1(C#N)CCC[C@@H](C)[C@@H]1C 82860156 573241996 /nfs/dbraw/zinc/24/19/96/573241996.db2.gz PPMPFGQUZDCRAS-VWYCJHECSA-N 0 0 180.295 2.314 10 30 AEEERN N#CCCc1cc2cccc(O)c2[nH]1 259390549 573242014 /nfs/dbraw/zinc/24/20/14/573242014.db2.gz AKSFFGRZBRDUCR-UHFFFAOYSA-N 0 0 186.214 2.330 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]1C1CC1 308320615 573242027 /nfs/dbraw/zinc/24/20/27/573242027.db2.gz AXDRNRSFGFZZQY-NXEZZACHSA-N 0 0 180.247 2.152 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(NC2CC2)[C@@H]1C 82860190 573242047 /nfs/dbraw/zinc/24/20/47/573242047.db2.gz NQFFSXGYZZZROD-FOGDFJRCSA-N 0 0 192.306 2.457 10 30 AEEERN C=CCN(C(=O)OCC)C(C)(C)C 132199519 573242048 /nfs/dbraw/zinc/24/20/48/573242048.db2.gz OFDCLYVDXDKOLX-UHFFFAOYSA-N 0 0 185.267 2.429 10 30 AEEERN CN(C)c1cccc(C(C)(C)C=O)c1 238315532 573242054 /nfs/dbraw/zinc/24/20/54/573242054.db2.gz WALOVMYSYAPKKZ-UHFFFAOYSA-N 0 0 191.274 2.229 10 30 AEEERN C=CC[C@@H](C[C@@H](C)C(C)(C)C)NN 129165215 573242068 /nfs/dbraw/zinc/24/20/68/573242068.db2.gz YGIBCKBKEAAPID-ZJUUUORDSA-N 0 0 184.327 2.467 10 30 AEEERN C=CCC[C@@H](O)[C@]1(C)CC=CCO1 215099676 573242088 /nfs/dbraw/zinc/24/20/88/573242088.db2.gz IDHYJNPQPNNMOV-MNOVXSKESA-N 0 0 182.263 2.049 10 30 AEEERN CC#CC[C@H](NN)C(C(C)C)C(C)C 308521554 573242159 /nfs/dbraw/zinc/24/21/59/573242159.db2.gz HWHVEFDYKPUPFC-NSHDSACASA-N 0 0 196.338 2.160 10 30 AEEERN Cc1ccc([C@@]2(C#N)CCCN2)cc1 258606432 573242560 /nfs/dbraw/zinc/24/25/60/573242560.db2.gz IJPJJGANYXZJOQ-LBPRGKRZSA-N 0 0 186.258 2.097 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@H]1C1CC1 308320617 573242607 /nfs/dbraw/zinc/24/26/07/573242607.db2.gz AXDRNRSFGFZZQY-VHSXEESVSA-N 0 0 180.247 2.152 10 30 AEEERN C=CC[C@H](NN)C1C(C)(C)C1(C)C 129151384 573242715 /nfs/dbraw/zinc/24/27/15/573242715.db2.gz XITVUEOYFCDWES-QMMMGPOBSA-N 0 0 182.311 2.077 10 30 AEEERN CC#CCCCCNc1c[nH]cn1 308320950 573242753 /nfs/dbraw/zinc/24/27/53/573242753.db2.gz BAURNLLVYFWDSC-UHFFFAOYSA-N 0 0 177.251 2.015 10 30 AEEERN COc1cc(C)cc(C)c1C(=O)C#N 259045530 573242805 /nfs/dbraw/zinc/24/28/05/573242805.db2.gz BILUONITNADZSG-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN N#Cc1cnncc1C1CCCCC1 259390572 573242828 /nfs/dbraw/zinc/24/28/28/573242828.db2.gz AKZWVLYFDQOEHU-UHFFFAOYSA-N 0 0 187.246 2.396 10 30 AEEERN CC(=O)/C=C/c1ccc(F)cc1O 116087015 573242880 /nfs/dbraw/zinc/24/28/80/573242880.db2.gz GLDRTWXVTAUJNI-NSCUHMNNSA-N 0 0 180.178 2.134 10 30 AEEERN Cc1ccc(CC2(C#N)COC2)cc1 259044192 573242911 /nfs/dbraw/zinc/24/29/11/573242911.db2.gz DDWUMFMATQNZGG-UHFFFAOYSA-N 0 0 187.242 2.078 10 30 AEEERN C=CC[C@H](NN)c1ccccc1CC 129155578 573242939 /nfs/dbraw/zinc/24/29/39/573242939.db2.gz CQUJCQXXMAHJAP-LBPRGKRZSA-N 0 0 190.290 2.330 10 30 AEEERN CC[C@](O)(CC=O)c1ccccc1F 159431540 573243035 /nfs/dbraw/zinc/24/30/35/573243035.db2.gz NQKUQAGCGMQRLF-NSHDSACASA-N 0 0 196.221 2.012 10 30 AEEERN C=C[C@@](C)(CC)COC(=O)C(F)F 308320361 573243075 /nfs/dbraw/zinc/24/30/75/573243075.db2.gz YCVXTSWBSDHJSK-VIFPVBQESA-N 0 0 192.205 2.397 10 30 AEEERN C=CC[C@@H](C[C@H](C)C(C)(C)C)NN 129164983 573243157 /nfs/dbraw/zinc/24/31/57/573243157.db2.gz YGIBCKBKEAAPID-UWVGGRQHSA-N 0 0 184.327 2.467 10 30 AEEERN C=CCN[C@@H](C#N)C1(CC)CCC1 686132764 573243340 /nfs/dbraw/zinc/24/33/40/573243340.db2.gz LGWXEQQLBCCHBW-JTQLQIEISA-N 0 0 178.279 2.234 10 30 AEEERN C[C@@H]1CCC[C@@]2(CO2)[C@@H]1C 82862356 573243341 /nfs/dbraw/zinc/24/33/41/573243341.db2.gz RLUAATSHTNQEHA-IWSPIJDZSA-N 0 0 140.226 2.212 10 30 AEEERN C=CCN[C@@H](C#N)C1(C(C)C)CCC1 686132493 573243349 /nfs/dbraw/zinc/24/33/49/573243349.db2.gz DWDDYQXKCGTLLE-NSHDSACASA-N 0 0 192.306 2.480 10 30 AEEERN CCC[C@@H](C)[C@@H](C)C=O 116103004 573243379 /nfs/dbraw/zinc/24/33/79/573243379.db2.gz JDLLXDLGRPABIC-SFYZADRCSA-N 0 0 128.215 2.258 10 30 AEEERN C=CC[C@@H](/C=C\CCC)OCCO 215101115 573243399 /nfs/dbraw/zinc/24/33/99/573243399.db2.gz PGGZGGKZNGCDAD-JYKYSHPRSA-N 0 0 184.279 2.296 10 30 AEEERN C#CC[C@H](C)OC(=O)/C=C/C=C/C 308320030 573243423 /nfs/dbraw/zinc/24/34/23/573243423.db2.gz XWZHBCUDEXXNHJ-KHDFDBHFSA-N 0 0 178.231 2.074 10 30 AEEERN N#CCc1ccc(O)c2c1CCCC2 257977106 573243445 /nfs/dbraw/zinc/24/34/45/573243445.db2.gz DJQBXPPOYLAGCZ-UHFFFAOYSA-N 0 0 187.242 2.337 10 30 AEEERN C=CCC[C@](C)(O)C1=COCCC1 132212791 573243446 /nfs/dbraw/zinc/24/34/46/573243446.db2.gz XWOHTNRSRJXEMO-NSHDSACASA-N 0 0 182.263 2.398 10 30 AEEERN CCC[C@@H](C)[C@H](C)C=O 116103008 573243470 /nfs/dbraw/zinc/24/34/70/573243470.db2.gz JDLLXDLGRPABIC-HTQZYQBOSA-N 0 0 128.215 2.258 10 30 AEEERN CC(C)c1c[nH]c(C(C)(C)C#N)n1 259046444 573243563 /nfs/dbraw/zinc/24/35/63/573243563.db2.gz IFBLBODBHDJVMX-UHFFFAOYSA-N 0 0 177.251 2.334 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(N(C)C)[C@H](C)C1 82861644 573243582 /nfs/dbraw/zinc/24/35/82/573243582.db2.gz PJSCPZPJPNGTKD-MXWKQRLJSA-N 0 0 180.295 2.266 10 30 AEEERN C=CC[C@@H]1C=CC[C@H](C/C=C/CO)O1 308529213 573243592 /nfs/dbraw/zinc/24/35/92/573243592.db2.gz BYQZLACPECCGAJ-LXYZTQFVSA-N 0 0 194.274 2.215 10 30 AEEERN N#C[C@@H](c1cc[nH]c1)c1ccccn1 259045552 573243596 /nfs/dbraw/zinc/24/35/96/573243596.db2.gz FWYHHQQLDROSKN-JTQLQIEISA-N 0 0 183.214 2.065 10 30 AEEERN CC(=O)/C=C\[C@@]1(C)[C@@H](O)CCC[C@H]1C 308529166 573243769 /nfs/dbraw/zinc/24/37/69/573243769.db2.gz BVBCKGAJFFNHRA-KAQHGQOXSA-N 0 0 196.290 2.319 10 30 AEEERN C=CC[C@H](NN)c1cccc(C)c1F 129152572 573243775 /nfs/dbraw/zinc/24/37/75/573243775.db2.gz ODRGWLRJNZXZOQ-JTQLQIEISA-N 0 0 194.253 2.215 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C=C/C=C/C 308320025 573243790 /nfs/dbraw/zinc/24/37/90/573243790.db2.gz XWZHBCUDEXXNHJ-FYGOWVPVSA-N 0 0 178.231 2.074 10 30 AEEERN Cc1ccc([C@]2(C#N)CCCN2)cc1 258606429 573245444 /nfs/dbraw/zinc/24/54/44/573245444.db2.gz IJPJJGANYXZJOQ-GFCCVEGCSA-N 0 0 186.258 2.097 10 30 AEEERN O=CC1C=CC=CC=CC=C1 393550195 573245461 /nfs/dbraw/zinc/24/54/61/573245461.db2.gz RMBSTTPFQYNZLR-UHFFFAOYSA-N 0 0 146.189 2.040 10 30 AEEERN CC[C@@H](C#N)CNc1cccnc1 259045184 573245540 /nfs/dbraw/zinc/24/55/40/573245540.db2.gz RSNKQSWORWGNNS-VIFPVBQESA-N 0 0 175.235 2.043 10 30 AEEERN CC(C)(C)c1c[nH]c(CCS)n1 259044392 573245550 /nfs/dbraw/zinc/24/55/50/573245550.db2.gz HYQKKKYNIJKLBO-UHFFFAOYSA-N 0 0 184.308 2.180 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(N(C)C)[C@@H]1C 82861654 573245587 /nfs/dbraw/zinc/24/55/87/573245587.db2.gz XNDAKSNFNOSMJJ-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN N#Cc1ccc(Nc2cccnc2)cn1 129151414 573245624 /nfs/dbraw/zinc/24/56/24/573245624.db2.gz GGNRVOIAKXMJDK-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C=C/C=C\C 308320027 573245734 /nfs/dbraw/zinc/24/57/34/573245734.db2.gz XWZHBCUDEXXNHJ-HEOIPQSBSA-N 0 0 178.231 2.074 10 30 AEEERN C=CCCC(=O)OCC1CC=CC1 308320228 573245782 /nfs/dbraw/zinc/24/57/82/573245782.db2.gz AQTMEUGBKHHDAZ-UHFFFAOYSA-N 0 0 180.247 2.462 10 30 AEEERN C=C(C)CCOC(=O)c1cscn1 308321581 573245859 /nfs/dbraw/zinc/24/58/59/573245859.db2.gz BKYYNZZRCYAOOC-UHFFFAOYSA-N 0 0 197.259 2.266 10 30 AEEERN C#CC[C@H](C)OC(=O)/C=C/C=C\C 308320028 573245870 /nfs/dbraw/zinc/24/58/70/573245870.db2.gz XWZHBCUDEXXNHJ-JEUPLNQMSA-N 0 0 178.231 2.074 10 30 AEEERN C[C@H]1CC[C@@H](C)C[C@]1(C#N)N(C)C 82861648 573245915 /nfs/dbraw/zinc/24/59/15/573245915.db2.gz AOCGNUXZLZOWFS-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN C=C[C@](C)(CC)COC(=O)C(F)F 308320360 573245960 /nfs/dbraw/zinc/24/59/60/573245960.db2.gz YCVXTSWBSDHJSK-SECBINFHSA-N 0 0 192.205 2.397 10 30 AEEERN C=CCNCc1csc(C2CC2)n1 308322772 573246589 /nfs/dbraw/zinc/24/65/89/573246589.db2.gz COBIVOQTWFMKCR-UHFFFAOYSA-N 0 0 194.303 2.296 10 30 AEEERN C=CCCCOC/C=C\C(=O)OCC 308321688 573246641 /nfs/dbraw/zinc/24/66/41/573246641.db2.gz WTZVYNPXNWNGMS-FPLPWBNLSA-N 0 0 198.262 2.089 10 30 AEEERN COCc1c(F)cc(CC#N)cc1F 257977145 573246697 /nfs/dbraw/zinc/24/66/97/573246697.db2.gz DKIPFMUUHKHBMT-UHFFFAOYSA-N 0 0 197.184 2.177 10 30 AEEERN C=CCOC(=O)CCc1cccs1 308321922 573246707 /nfs/dbraw/zinc/24/67/07/573246707.db2.gz BULCFFNZAKWUQF-UHFFFAOYSA-N 0 0 196.271 2.410 10 30 AEEERN CC[C@H](O)/C=N/c1ccccc1 238316698 573246796 /nfs/dbraw/zinc/24/67/96/573246796.db2.gz UYTYQXVRUDSWBJ-NGPGYTDTSA-N 0 0 163.220 2.160 10 30 AEEERN CC[C@@H](C)C(C)=NN[C@@H](C)CC#N 308322618 573246899 /nfs/dbraw/zinc/24/68/99/573246899.db2.gz ZOTLDEZXPHTXSJ-BDAKNGLRSA-N 0 0 181.283 2.300 10 30 AEEERN Cc1cncc(-c2c(C)noc2C#N)c1 259388949 573246924 /nfs/dbraw/zinc/24/69/24/573246924.db2.gz GFKJYBWSRGNNCI-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN COc1c(C)cc(C(=O)C#N)cc1C 259049299 573246988 /nfs/dbraw/zinc/24/69/88/573246988.db2.gz BRCVPCGNMXPKTE-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN Cc1cc(NCCCF)c(C#N)cn1 306871780 573249203 /nfs/dbraw/zinc/24/92/03/573249203.db2.gz YGKKVWOENKKYEI-UHFFFAOYSA-N 0 0 193.225 2.033 10 30 AEEERN C#CCCOc1ccnc(Cl)c1 236053750 573249258 /nfs/dbraw/zinc/24/92/58/573249258.db2.gz ADPUGJIEBSYEGL-UHFFFAOYSA-N 0 0 181.622 2.137 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc(N(C)C)cc1 258611088 573249271 /nfs/dbraw/zinc/24/92/71/573249271.db2.gz ASWYRQKIVCHBIH-KWQFWETISA-N 0 0 177.247 2.212 10 30 AEEERN N#C[C@@H](c1cccnc1)c1cc[nH]c1 259047599 573249290 /nfs/dbraw/zinc/24/92/90/573249290.db2.gz GAXKUJFWSGBLTL-NSHDSACASA-N 0 0 183.214 2.065 10 30 AEEERN Cc1ccc(C(=O)C2(C#N)CCC2)o1 259047509 573249528 /nfs/dbraw/zinc/24/95/28/573249528.db2.gz BPOFKHDLNCGEQF-UHFFFAOYSA-N 0 0 189.214 2.465 10 30 AEEERN C=C(C)COC(=O)[C@@H]1CC[C@@H](F)C1 308321916 573249590 /nfs/dbraw/zinc/24/95/90/573249590.db2.gz BUBWZPAJIYUTAC-RKDXNWHRSA-N 0 0 186.226 2.244 10 30 AEEERN N#CC1(CC2CCCC2)COC1 259048386 573249646 /nfs/dbraw/zinc/24/96/46/573249646.db2.gz DQCIAXKFLXKVDZ-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN Cc1c(C#N)cc(-c2cc[nH]c2)n1C 259391502 573249703 /nfs/dbraw/zinc/24/97/03/573249703.db2.gz YESJIBBJCAQGTG-UHFFFAOYSA-N 0 0 185.230 2.200 10 30 AEEERN CC[C@H](C)[C@H](C#N)NC(=O)CC(C)C 259391484 573249730 /nfs/dbraw/zinc/24/97/30/573249730.db2.gz KWCXSTLFWQAYOG-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN CC(CCc1ccc(F)cc1)=NN 308321904 573250824 /nfs/dbraw/zinc/25/08/24/573250824.db2.gz BTURXZXEQBKDAR-UHFFFAOYSA-N 0 0 180.226 2.093 10 30 AEEERN C=C(C)COC(=O)[C@@H]1CC[C@H](F)C1 308321913 573250831 /nfs/dbraw/zinc/25/08/31/573250831.db2.gz BUBWZPAJIYUTAC-BDAKNGLRSA-N 0 0 186.226 2.244 10 30 AEEERN CC1=CC(=O)C(C)(C)CC1 105342493 573254015 /nfs/dbraw/zinc/25/40/15/573254015.db2.gz DKUDUXARZQESDM-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)CCC(F)(F)C=O 258609643 573250973 /nfs/dbraw/zinc/25/09/73/573250973.db2.gz VTDAKEHMGGGDDA-UHFFFAOYSA-N 0 0 150.168 2.257 10 30 AEEERN CC[C@@H](C)C(C)=NN[C@H](C)CC#N 308322621 573250978 /nfs/dbraw/zinc/25/09/78/573250978.db2.gz ZOTLDEZXPHTXSJ-RKDXNWHRSA-N 0 0 181.283 2.300 10 30 AEEERN C=CC[C@@H](C)[C@@H]1CCCCNC1=O 715735478 573253736 /nfs/dbraw/zinc/25/37/36/573253736.db2.gz WMXDCWJKJWPWLN-ZJUUUORDSA-N 0 0 181.279 2.115 10 30 AEEERN CCCCN=NC[C@H](C#N)C(C)C 308328405 573253895 /nfs/dbraw/zinc/25/38/95/573253895.db2.gz HEGMUDKAZUPKJC-JTQLQIEISA-N 0 0 181.283 2.158 10 30 AEEERN CCO/C=N\c1[nH]c(C)c(C)c1C#N 105350528 573253915 /nfs/dbraw/zinc/25/39/15/573253915.db2.gz WRNUBWIXTKEPLP-SDQBBNPISA-N 0 0 191.234 2.200 10 30 AEEERN C=CCOCCCON=C1CCC1 308327614 573253941 /nfs/dbraw/zinc/25/39/41/573253941.db2.gz HVUBZGSAPUZDHR-UHFFFAOYSA-N 0 0 183.251 2.136 10 30 AEEERN C=CC[C@@H](C)[C@@H](NN)[C@@H]1C[C@@H]2C[C@@H]2C1 715734491 573253972 /nfs/dbraw/zinc/25/39/72/573253972.db2.gz UENMNYPAXURMKM-LDMBFOFVSA-N 0 0 194.322 2.077 10 30 AEEERN C=C[C@H](O)c1occc1CC 238318351 573255363 /nfs/dbraw/zinc/25/53/63/573255363.db2.gz CSLGKHWHJUPNLT-QMMMGPOBSA-N 0 0 152.193 2.061 10 30 AEEERN C=CC[C@H](C)[C@@H](NN)[C@@H]1C[C@@H]2C[C@@H]2C1 715734493 573255404 /nfs/dbraw/zinc/25/54/04/573255404.db2.gz UENMNYPAXURMKM-PREPNJAASA-N 0 0 194.322 2.077 10 30 AEEERN Cc1cccc(-c2c[nH]nc2C#N)c1 259394577 573255424 /nfs/dbraw/zinc/25/54/24/573255424.db2.gz JIHHUTOPKLGAAX-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C=CC(Cl)(Cl)[C@H](O)/C=C/C 223952517 573255585 /nfs/dbraw/zinc/25/55/85/573255585.db2.gz DQBZMODKOIBWQH-MXTDHUQFSA-N 0 0 181.062 2.283 10 30 AEEERN CC#CCSCCC 116217824 573255644 /nfs/dbraw/zinc/25/56/44/573255644.db2.gz MTXLOXXMOGXDPL-UHFFFAOYSA-N 0 0 128.240 2.153 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@H]1C[C@H]1C1CC1 715738695 573255699 /nfs/dbraw/zinc/25/56/99/573255699.db2.gz KDAGDQZRWYHFAG-VGDYDELISA-N 0 0 194.322 2.077 10 30 AEEERN Cc1cccc2c1[C@@H](CC=O)CO2 258250727 573256290 /nfs/dbraw/zinc/25/62/90/573256290.db2.gz RFOPIDAGYDTYGQ-VIFPVBQESA-N 0 0 176.215 2.060 10 30 AEEERN CCCCNN=C[C@@H](C#N)C(C)C 308328406 573256324 /nfs/dbraw/zinc/25/63/24/573256324.db2.gz HEGMUDKAZUPKJC-SNVBAGLBSA-N 0 0 181.283 2.158 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@@H]1C[C@H]1C1CC1 715738692 573256888 /nfs/dbraw/zinc/25/68/88/573256888.db2.gz KDAGDQZRWYHFAG-IXLVHKGHSA-N 0 0 194.322 2.077 10 30 AEEERN CCc1cc(C)c(C#N)cc1O 238319111 573256935 /nfs/dbraw/zinc/25/69/35/573256935.db2.gz FXEIEUAYCKMCCI-UHFFFAOYSA-N 0 0 161.204 2.135 10 30 AEEERN Cc1ncc(CS)n1C(C)C 257981069 573256951 /nfs/dbraw/zinc/25/69/51/573256951.db2.gz AUWVZPVKAYNGHY-UHFFFAOYSA-N 0 0 170.281 2.202 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@H]1C[C@@H]1C1CC1 715738690 573256993 /nfs/dbraw/zinc/25/69/93/573256993.db2.gz KDAGDQZRWYHFAG-IELRGYKMSA-N 0 0 194.322 2.077 10 30 AEEERN CN[C@@H](c1ccccc1)[C@H](C)C#N 238319510 573256995 /nfs/dbraw/zinc/25/69/95/573256995.db2.gz VBOONMJTMNCXHG-MWLCHTKSSA-N 0 0 174.247 2.107 10 30 AEEERN C[C@H](CC=O)c1ccc(O)c(F)c1 257981595 573257030 /nfs/dbraw/zinc/25/70/30/573257030.db2.gz DTMXAEMWOBJFLJ-SSDOTTSWSA-N 0 0 182.194 2.224 10 30 AEEERN C[C@H]1OC(c2ccccc2)=CC1=O 116268248 573257063 /nfs/dbraw/zinc/25/70/63/573257063.db2.gz AKDQJNLANWFEAB-MRVPVSSYSA-N 0 0 174.199 2.015 10 30 AEEERN C=CCC[C@]1(CO)CCCCC[C@H]1O 215113979 573257209 /nfs/dbraw/zinc/25/72/09/573257209.db2.gz UMMSPJCSFCRFNB-VXGBXAGGSA-N 0 0 198.306 2.256 10 30 AEEERN Cc1cc2c(cc1C)[C@@H](C#N)CNC2 259398860 573257280 /nfs/dbraw/zinc/25/72/80/573257280.db2.gz BGAFQXWYNKFROG-NSHDSACASA-N 0 0 186.258 2.014 10 30 AEEERN N#C[C@@H]1CCCCc2nc(N)sc21 223945341 573257367 /nfs/dbraw/zinc/25/73/67/573257367.db2.gz FUYASWLIOSCLQR-LURJTMIESA-N 0 0 193.275 2.059 10 30 AEEERN Cc1cn(CC[C@H](C)F)cc1C#N 306224143 573257730 /nfs/dbraw/zinc/25/77/30/573257730.db2.gz SYHURYUOXAJMJX-VIFPVBQESA-N 0 0 180.226 2.416 10 30 AEEERN CC1=C2CCC[C@H]2[C@@H](C)C1=O 105333144 573257956 /nfs/dbraw/zinc/25/79/56/573257956.db2.gz YVNDAXFBRWBTQI-SVRRBLITSA-N 0 0 150.221 2.322 10 30 AEEERN C#CCCOC(=O)C[C@H](C)C(C)C 308330022 573258031 /nfs/dbraw/zinc/25/80/31/573258031.db2.gz JXCCYZSVUQITBC-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN CCc1cc(C)[nH]c(=S)c1C#N 238318994 573258067 /nfs/dbraw/zinc/25/80/67/573258067.db2.gz SHBJTJAPGQUEPP-UHFFFAOYSA-N 0 0 178.260 2.487 10 30 AEEERN C=C[C@@H](O)CCCCCC[C@H](O)C=C 142389475 573259817 /nfs/dbraw/zinc/25/98/17/573259817.db2.gz GIQJBPHJWOFOQP-VXGBXAGGSA-N 0 0 198.306 2.421 10 30 AEEERN N#Cc1cnncc1-c1cccs1 259398877 573259863 /nfs/dbraw/zinc/25/98/63/573259863.db2.gz BHFAMOCJSPSENR-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1nc(CCS)sc1C 259398492 573259958 /nfs/dbraw/zinc/25/99/58/573259958.db2.gz HRDXYMXECWHOIS-UHFFFAOYSA-N 0 0 173.306 2.232 10 30 AEEERN COCc1ccc(Cl)cc1C#N 238326169 573259975 /nfs/dbraw/zinc/25/99/75/573259975.db2.gz HKCYQVCKZZZDOO-UHFFFAOYSA-N 0 0 181.622 2.358 10 30 AEEERN CC[C@@H](C)ON=CC[C@@H]1CCOC1 308332523 573261102 /nfs/dbraw/zinc/26/11/02/573261102.db2.gz JORZIJFUEMZSOR-NXEZZACHSA-N 0 0 185.267 2.214 10 30 AEEERN N#CCCc1cc2cc(O)ccc2[nH]1 259397363 573261172 /nfs/dbraw/zinc/26/11/72/573261172.db2.gz BCQMCAKZBALMQR-UHFFFAOYSA-N 0 0 186.214 2.330 10 30 AEEERN CC1(C)CC(=O)C2=C1SCC2 222971438 573261186 /nfs/dbraw/zinc/26/11/86/573261186.db2.gz IQUWSTLVIKDLEB-UHFFFAOYSA-N 0 0 168.261 2.376 10 30 AEEERN CC[C@@H](C)ON=CC[C@H]1CCOC1 308332673 573261214 /nfs/dbraw/zinc/26/12/14/573261214.db2.gz JORZIJFUEMZSOR-ZJUUUORDSA-N 0 0 185.267 2.214 10 30 AEEERN C=C[C@H](C1CCCCC1)[C@@H](O)[C@H](C)O 308531651 573261381 /nfs/dbraw/zinc/26/13/81/573261381.db2.gz CSCGWEMPIVWHDR-WCQGTBRESA-N 0 0 198.306 2.111 10 30 AEEERN N#Cc1cccc(NCC2(C#N)CC2)c1 258614250 573261388 /nfs/dbraw/zinc/26/13/88/573261388.db2.gz IUGFBZRSSAHSMT-UHFFFAOYSA-N 0 0 197.241 2.274 10 30 AEEERN N#Cc1n[nH]cc1-c1cccc(F)c1 259394357 573261430 /nfs/dbraw/zinc/26/14/30/573261430.db2.gz JGGAJNPFVCCTTK-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN CC[C@@H](C#N)[C@@H](c1ccc[nH]1)N(C)C 259056761 573261442 /nfs/dbraw/zinc/26/14/42/573261442.db2.gz CIGNHUFCEAQSQH-ONGXEEELSA-N 0 0 191.278 2.167 10 30 AEEERN C#CC[C@H](CC)NC(=O)C(C)(C)CC 126031511 573269247 /nfs/dbraw/zinc/26/92/47/573269247.db2.gz UOPNWFHSIJWGFQ-JTQLQIEISA-N 0 0 195.306 2.341 10 30 AEEERN C#CC[C@H](CC)NC(=O)[C@@H](C)C(C)C 126030116 573270180 /nfs/dbraw/zinc/27/01/80/573270180.db2.gz XKASRIDOOOIQQC-QWRGUYRKSA-N 0 0 195.306 2.197 10 30 AEEERN CC(C)c1ncn2c1CC[C@H]2C#N 259605543 573270198 /nfs/dbraw/zinc/27/01/98/573270198.db2.gz GSHDXGBGJZOMQI-QMMMGPOBSA-N 0 0 175.235 2.017 10 30 AEEERN C[C@@]1(C=NNCC2CC2)CCCS1 308339363 573270201 /nfs/dbraw/zinc/27/02/01/573270201.db2.gz QANXOCJOXKAZSX-JTQLQIEISA-N 0 0 198.335 2.258 10 30 AEEERN C=C1CC(C)(C)C=C(C)C1=O 142428777 573270303 /nfs/dbraw/zinc/27/03/03/573270303.db2.gz OIMMBPFITCOBDO-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN O=CC/C=C\Cc1ccccc1O 258271488 573270310 /nfs/dbraw/zinc/27/03/10/573270310.db2.gz SAJZQZCJHZBZCE-UPHRSURJSA-N 0 0 176.215 2.080 10 30 AEEERN O=CCc1csc2cc(O)ccc12 258270937 573270683 /nfs/dbraw/zinc/27/06/83/573270683.db2.gz SNLXEGOIXVNPEH-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN C=CCCOC(=O)[C@@H]1C=CCCC1 308339388 573270740 /nfs/dbraw/zinc/27/07/40/573270740.db2.gz QCVQHZWXYFAPGQ-SNVBAGLBSA-N 0 0 180.247 2.462 10 30 AEEERN CCON=CCc1ccccc1F 393579775 573270809 /nfs/dbraw/zinc/27/08/09/573270809.db2.gz FUGKYEHTBGEHIV-UHFFFAOYSA-N 0 0 181.210 2.391 10 30 AEEERN CN1c2ccccc2S[C@@H]1CC=O 238329338 573270826 /nfs/dbraw/zinc/27/08/26/573270826.db2.gz ATGWURJTWUOINF-SNVBAGLBSA-N 0 0 193.271 2.144 10 30 AEEERN CC[C@@](C#N)(NC)c1ccccc1 20378122 573271038 /nfs/dbraw/zinc/27/10/38/573271038.db2.gz SZYOAGRFBRJDFO-NSHDSACASA-N 0 0 174.247 2.035 10 30 AEEERN C=CCN(C)C1(C#N)CCCCC1 238329586 573271044 /nfs/dbraw/zinc/27/10/44/573271044.db2.gz IWSYGOGSXKJYLS-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN C/C(=N/O)c1ccc(F)c(F)c1 105626051 573272987 /nfs/dbraw/zinc/27/29/87/573272987.db2.gz XXWRIABUUKRBGK-WZUFQYTHSA-N 0 0 171.146 2.163 10 30 AEEERN C=C(C)COc1ccccc1CON 257989313 573273006 /nfs/dbraw/zinc/27/30/06/573273006.db2.gz FJXOPNGVMMNFJW-UHFFFAOYSA-N 0 0 193.246 2.032 10 30 AEEERN N#Cc1ccc(F)c(CF)c1F 306889134 573273073 /nfs/dbraw/zinc/27/30/73/573273073.db2.gz STOBCVIQMJWZPC-UHFFFAOYSA-N 0 0 171.121 2.306 10 30 AEEERN Cc1cc2cc(CC=O)ccc2n1C 257988465 573273177 /nfs/dbraw/zinc/27/31/77/573273177.db2.gz HRFYBTRVXUVEKT-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN C[C@H](CO)CCCCCCC#N 238430900 573273184 /nfs/dbraw/zinc/27/31/84/573273184.db2.gz GWMFSTMHDSRVII-JTQLQIEISA-N 0 0 169.268 2.479 10 30 AEEERN COc1ccc(F)cc1/C=C/C(C)=O 142449903 573273304 /nfs/dbraw/zinc/27/33/04/573273304.db2.gz NJSWNZZCKMNWRP-ONEGZZNKSA-N 0 0 194.205 2.437 10 30 AEEERN C=CCN(C)c1ccccc1O 238330053 573273347 /nfs/dbraw/zinc/27/33/47/573273347.db2.gz AUSJSNWUQYSQBW-UHFFFAOYSA-N 0 0 163.220 2.014 10 30 AEEERN COC(C)(C)[C@@H]1CCC[C@H]1C=O 238330313 573275850 /nfs/dbraw/zinc/27/58/50/573275850.db2.gz XDKPPSMCVYHCKU-DTWKUNHWSA-N 0 0 170.252 2.027 10 30 AEEERN CC(C)c1ccc([C@H](O)C=O)cc1 116393920 573275935 /nfs/dbraw/zinc/27/59/35/573275935.db2.gz HWFMUDFRSBNNLD-LLVKDONJSA-N 0 0 178.231 2.042 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H]1CCCCO1 715755631 573275995 /nfs/dbraw/zinc/27/59/95/573275995.db2.gz HLINQABPXVNBNY-UWVGGRQHSA-N 0 0 182.263 2.337 10 30 AEEERN C=C1CC[C@@H](C(C)(C)OC)C[C@H]1O 238330241 573276027 /nfs/dbraw/zinc/27/60/27/573276027.db2.gz PSVIKYYHYJUAJU-NXEZZACHSA-N 0 0 184.279 2.129 10 30 AEEERN CCSCC=NOC/C=C/Cl 393513909 573276141 /nfs/dbraw/zinc/27/61/41/573276141.db2.gz KFUBWAQSXBNKBD-IBYIBGDMSA-N 0 0 193.699 2.494 10 30 AEEERN COc1cc(C#N)nc(C(F)F)c1C 238331061 573276198 /nfs/dbraw/zinc/27/61/98/573276198.db2.gz FEXCNHLZYPEYQD-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=C1CC[C@@H](C(C)(C)OC)C[C@@H]1O 238330226 573279374 /nfs/dbraw/zinc/27/93/74/573279374.db2.gz PSVIKYYHYJUAJU-ZJUUUORDSA-N 0 0 184.279 2.129 10 30 AEEERN COC(C)(C)[C@H]1CCC[C@@H]1C=O 238330857 573279573 /nfs/dbraw/zinc/27/95/73/573279573.db2.gz XDKPPSMCVYHCKU-BDAKNGLRSA-N 0 0 170.252 2.027 10 30 AEEERN CC[C@@H](C#N)CNCc1cccs1 259065481 573280858 /nfs/dbraw/zinc/28/08/58/573280858.db2.gz TXOYDRRHPKPYFH-VIFPVBQESA-N 0 0 194.303 2.387 10 30 AEEERN CC[C@@]1(Cc2ccccc2)CO1 116394809 573280918 /nfs/dbraw/zinc/28/09/18/573280918.db2.gz CKWYDJCMBNNHBI-LLVKDONJSA-N 0 0 162.232 2.408 10 30 AEEERN C#CC[C@@H](CC)NC(=O)C1CCCC1 126046485 573280996 /nfs/dbraw/zinc/28/09/96/573280996.db2.gz CAGWSQCSXGWMHO-LLVKDONJSA-N 0 0 193.290 2.095 10 30 AEEERN CC[C@@H](C#N)Cc1ccccn1 259399515 573281206 /nfs/dbraw/zinc/28/12/06/573281206.db2.gz OBQAXUWVHIKOKO-SECBINFHSA-N 0 0 160.220 2.174 10 30 AEEERN Cn1cc(C(=O)C2=CCCCC2)cn1 236093946 573281295 /nfs/dbraw/zinc/28/12/95/573281295.db2.gz WGERGITVRKNHGO-UHFFFAOYSA-N 0 0 190.246 2.103 10 30 AEEERN COc1cc(F)c(Cl)cc1C#N 258176675 573281789 /nfs/dbraw/zinc/28/17/89/573281789.db2.gz WICFYEFFZYRLPN-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN C#CC[C@@H](CC)NC(=O)CCCCC 126046025 573281841 /nfs/dbraw/zinc/28/18/41/573281841.db2.gz XNOSRKLIPWZTJB-LLVKDONJSA-N 0 0 195.306 2.485 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@H]1CCCCO1 715755651 573281859 /nfs/dbraw/zinc/28/18/59/573281859.db2.gz HLINQABPXVNBNY-ZJUUUORDSA-N 0 0 182.263 2.337 10 30 AEEERN CCC1([C@H](C#N)NCC2CC2)CCC1 686132769 573283717 /nfs/dbraw/zinc/28/37/17/573283717.db2.gz FVLRGEYZSCPOEP-NSHDSACASA-N 0 0 192.306 2.458 10 30 AEEERN Cc1cccc(-n2ccc(CC#N)n2)c1 259066692 573284041 /nfs/dbraw/zinc/28/40/41/573284041.db2.gz NWVOIKYOSCNHIW-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN CN(C)[C@H](CC#N)c1cccs1 259402945 573284578 /nfs/dbraw/zinc/28/45/78/573284578.db2.gz HLLFFIXGHPGVPJ-MRVPVSSYSA-N 0 0 180.276 2.264 10 30 AEEERN CC(C)c1c[nH]c(CCS)n1 259070256 573284658 /nfs/dbraw/zinc/28/46/58/573284658.db2.gz KRCOBHDYPSANGJ-UHFFFAOYSA-N 0 0 170.281 2.005 10 30 AEEERN CO/C=C/C#C[C@H](O)C1CCCCC1 238332687 573284701 /nfs/dbraw/zinc/28/47/01/573284701.db2.gz HQODDDXWRFOZDL-JXPAYYINSA-N 0 0 194.274 2.091 10 30 AEEERN O=CCCc1cccc2ncccc12 77859425 573285103 /nfs/dbraw/zinc/28/51/03/573285103.db2.gz HJLXGZANEUNXIN-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN C[C@H](COCC=O)c1ccccc1 238440370 573285135 /nfs/dbraw/zinc/28/51/35/573285135.db2.gz ZIJAOVLDNUWVEC-SNVBAGLBSA-N 0 0 178.231 2.006 10 30 AEEERN CCCn1c(C#N)cnc1C(C)(C)C 259402013 573285144 /nfs/dbraw/zinc/28/51/44/573285144.db2.gz QUFCMBINRJZNGQ-UHFFFAOYSA-N 0 0 191.278 2.462 10 30 AEEERN C=CCCOC(=O)[C@H]1CC12CCC2 393581218 573285208 /nfs/dbraw/zinc/28/52/08/573285208.db2.gz IBINZDQQQCQICK-SECBINFHSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H](S)c1ccc2[nH]c(=O)oc2c1 259403652 573285226 /nfs/dbraw/zinc/28/52/26/573285226.db2.gz XOHMWXIAVXEIAN-YFKPBYRVSA-N 0 0 195.243 2.112 10 30 AEEERN Cc1cc(C2(S)COC2)ccc1F 259068539 573285269 /nfs/dbraw/zinc/28/52/69/573285269.db2.gz CAKWCJFFKAJMDV-UHFFFAOYSA-N 0 0 198.262 2.289 10 30 AEEERN Cc1cc(C)c(C(=O)[C@H]2CO2)cc1C 259401358 573285338 /nfs/dbraw/zinc/28/53/38/573285338.db2.gz YTOUBLYDKTULOX-LLVKDONJSA-N 0 0 190.242 2.193 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H]1CO[C@@H](C)C1 715757926 573285364 /nfs/dbraw/zinc/28/53/64/573285364.db2.gz BWSBGHOLFPQWMW-GUBZILKMSA-N 0 0 182.263 2.193 10 30 AEEERN CN(C)[C@@H](CC#N)c1cccs1 259402950 573286332 /nfs/dbraw/zinc/28/63/32/573286332.db2.gz HLLFFIXGHPGVPJ-QMMMGPOBSA-N 0 0 180.276 2.264 10 30 AEEERN C=C(CC(=O)OC)C[C@@H]1CCCCO1 258281804 573288065 /nfs/dbraw/zinc/28/80/65/573288065.db2.gz SQULDQDPGZKUHN-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN Cc1ccc([C@H](O)CCC=O)c(C)c1 308534535 573288072 /nfs/dbraw/zinc/28/80/72/573288072.db2.gz KZQKZVSYGOPUSF-GFCCVEGCSA-N 0 0 192.258 2.316 10 30 AEEERN CCCOc1ccccc1C[C@H]1CO1 132352001 573288081 /nfs/dbraw/zinc/28/80/81/573288081.db2.gz HVTVUUHFWUMOQR-NSHDSACASA-N 0 0 192.258 2.417 10 30 AEEERN N#C[C@@H](c1cc[nH]c1)C1CCC1 259066768 573288218 /nfs/dbraw/zinc/28/82/18/573288218.db2.gz HHACMCNJLZTZBI-SNVBAGLBSA-N 0 0 160.220 2.422 10 30 AEEERN CCOC(C)(C)C(=O)C=C(C)C 132285458 573288430 /nfs/dbraw/zinc/28/84/30/573288430.db2.gz YXNLDIROTHROIU-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN N#CCC(F)(F)c1cc[nH]c1 259068798 573288439 /nfs/dbraw/zinc/28/84/39/573288439.db2.gz XTMIFVXLLVTEFS-UHFFFAOYSA-N 0 0 156.135 2.020 10 30 AEEERN CC(C)c1ncc(CC=O)s1 259406669 573288474 /nfs/dbraw/zinc/28/84/74/573288474.db2.gz XNPBSHKLCBYQJC-UHFFFAOYSA-N 0 0 169.249 2.008 10 30 AEEERN C=CC[C@H](C)C(=O)C(C)(F)F 715757044 573290512 /nfs/dbraw/zinc/29/05/12/573290512.db2.gz MZUCKSJZJUMGPI-LURJTMIESA-N 0 0 162.179 2.423 10 30 AEEERN CC1(C)CNc2ccc(C#N)cc2O1 84768149 573290655 /nfs/dbraw/zinc/29/06/55/573290655.db2.gz LVAMKMWJOUXYMM-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H]1CO[C@H](C)C1 715757928 573290712 /nfs/dbraw/zinc/29/07/12/573290712.db2.gz BWSBGHOLFPQWMW-IVZWLZJFSA-N 0 0 182.263 2.193 10 30 AEEERN C[C@H](Nc1ccncc1C#N)C(F)F 306897743 573290714 /nfs/dbraw/zinc/29/07/14/573290714.db2.gz UVWZVMLXMSKPGP-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN CC1(C)Cc2ccc(C#N)cc2C1=O 116556478 573290729 /nfs/dbraw/zinc/29/07/29/573290729.db2.gz GXFMUZWBMWCQSY-UHFFFAOYSA-N 0 0 185.226 2.323 10 30 AEEERN C=CC[C@@H](C)C(=O)C(C)(F)F 715757046 573290852 /nfs/dbraw/zinc/29/08/52/573290852.db2.gz MZUCKSJZJUMGPI-ZCFIWIBFSA-N 0 0 162.179 2.423 10 30 AEEERN Cc1cc(F)c(C)c(C#N)c1F 257994971 573290893 /nfs/dbraw/zinc/29/08/93/573290893.db2.gz LFFKLMHRRZRKIY-UHFFFAOYSA-N 0 0 167.158 2.453 10 30 AEEERN Fc1ccccc1OCCC[C@@H]1CO1 308534785 573290903 /nfs/dbraw/zinc/29/09/03/573290903.db2.gz RKQRUKAVPOAMBS-SECBINFHSA-N 0 0 196.221 2.384 10 30 AEEERN CC(=O)/C=C\c1ccc(N(C)C)s1 217398593 573290912 /nfs/dbraw/zinc/29/09/12/573290912.db2.gz CNXQKBKHZDCJLW-PLNGDYQASA-N 0 0 195.287 2.416 10 30 AEEERN CC1(C)CNc2cccc(C#N)c2O1 84768161 573290943 /nfs/dbraw/zinc/29/09/43/573290943.db2.gz AQJAQDPGQYTZLQ-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CC[C@@H]1CNc2ccc(C#N)cc2O1 84768150 573294058 /nfs/dbraw/zinc/29/40/58/573294058.db2.gz KFCQYGZXILYGTH-SECBINFHSA-N 0 0 188.230 2.141 10 30 AEEERN COc1c(CCC=O)ccc(F)c1C 257996750 573294096 /nfs/dbraw/zinc/29/40/96/573294096.db2.gz GCZJZAWVABTKRT-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CCC[C@@]1(C#N)C[C@@H]1C 259072525 573294109 /nfs/dbraw/zinc/29/41/09/573294109.db2.gz YIKOCRGYBDOFRL-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN CC(C)(C)c1ccc([C@H](O)C=O)cc1 116563080 573295542 /nfs/dbraw/zinc/29/55/42/573295542.db2.gz WMYGCOQFAOBYIJ-LLVKDONJSA-N 0 0 192.258 2.216 10 30 AEEERN Cc1ccc(Cl)c(C#N)c1O 257997152 573296489 /nfs/dbraw/zinc/29/64/89/573296489.db2.gz LMNLJKBDEPQMJW-UHFFFAOYSA-N 0 0 167.595 2.226 10 30 AEEERN CCc1nc(C)c(C#N)n1CC(C)C 74271620 573296543 /nfs/dbraw/zinc/29/65/43/573296543.db2.gz AINUJZTVERNQAT-UHFFFAOYSA-N 0 0 191.278 2.282 10 30 AEEERN N#Cc1cccn1[C@@H]1CCC[C@H]1C#N 123998913 573296666 /nfs/dbraw/zinc/29/66/66/573296666.db2.gz RWUZJNNSNOFGKH-GXSJLCMTSA-N 0 0 185.230 2.225 10 30 AEEERN Cc1cccc2c1[C@@H](CC=O)CN2 257996168 573296680 /nfs/dbraw/zinc/29/66/80/573296680.db2.gz BSYSLZOEQUAFCR-VIFPVBQESA-N 0 0 175.231 2.093 10 30 AEEERN COc1cc(Cl)ccc1NCC#N 238336219 573296989 /nfs/dbraw/zinc/29/69/89/573296989.db2.gz OZJBBKXHSCOEJC-UHFFFAOYSA-N 0 0 196.637 2.284 10 30 AEEERN CC(=O)C(=O)Cc1ccccc1F 258623822 573297689 /nfs/dbraw/zinc/29/76/89/573297689.db2.gz QJQLMMAHQFYZBM-POHAHGRESA-N 0 0 180.178 2.314 10 30 AEEERN N#Cc1cc2ccc(F)c(N)c2s1 306910642 573297788 /nfs/dbraw/zinc/29/77/88/573297788.db2.gz JFBNUEXMXXUPSB-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#Cc1sc2cccc(N)c2c1F 306909273 573297799 /nfs/dbraw/zinc/29/77/99/573297799.db2.gz HDDYPDAVRSEJLO-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC1(C)O[C@@H]1CC/C=C\CCCO 219829183 573298042 /nfs/dbraw/zinc/29/80/42/573298042.db2.gz IFHXZBGAVUPSHO-UMBAGQNISA-N 0 0 184.279 2.273 10 30 AEEERN C[C@H]1CC(=O)C=C1[Si](C)(C)C 197296603 573298137 /nfs/dbraw/zinc/29/81/37/573298137.db2.gz IKGQUJYGLUULEM-ZETCQYMHSA-N 0 0 168.312 2.399 10 30 AEEERN C[C@@H]1CC=CC[C@]1(C)C=O 224863328 573305847 /nfs/dbraw/zinc/30/58/47/573305847.db2.gz HEMVGFBAUVBOIK-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1cc(-c2ccco2)ns1 259410245 573305871 /nfs/dbraw/zinc/30/58/71/573305871.db2.gz KKGJHMBNNBXVJZ-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN CCOC[C@@]1(C)CC[C@@](C)(CC#N)O1 308544526 573305877 /nfs/dbraw/zinc/30/58/77/573305877.db2.gz PGAOUOQPKWDPQL-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN CCOC[C@@]1(C)CC[C@](C)(CC#N)O1 308544520 573305970 /nfs/dbraw/zinc/30/59/70/573305970.db2.gz PGAOUOQPKWDPQL-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN Cc1nc2cc([C@H]3O[C@H]3C)ccc2[nH]1 259410517 573306187 /nfs/dbraw/zinc/30/61/87/573306187.db2.gz SQLOFYZZNSLVHC-KGFZYKRKSA-N 0 0 188.230 2.331 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H]1CCO[C@@H]1C 715762128 573306222 /nfs/dbraw/zinc/30/62/22/573306222.db2.gz OCVHXKFAQGUANH-AEJSXWLSSA-N 0 0 182.263 2.193 10 30 AEEERN CCCn1ncc(C#N)c1C1CC1 259409698 573306234 /nfs/dbraw/zinc/30/62/34/573306234.db2.gz MCRRXWKNRAJRKV-UHFFFAOYSA-N 0 0 175.235 2.042 10 30 AEEERN N#Cc1ccncc1N[C@H]1C[C@H]1C1CC1 308857917 573308204 /nfs/dbraw/zinc/30/82/04/573308204.db2.gz UKTGATKFMDSKFK-QWRGUYRKSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1ccncc1N[C@@H]1C[C@@H]1C1CC1 308857907 573308335 /nfs/dbraw/zinc/30/83/35/573308335.db2.gz UKTGATKFMDSKFK-GHMZBOCLSA-N 0 0 199.257 2.164 10 30 AEEERN N#C[C@H]1CCS[C@@H]1C1CC1 259606259 573308421 /nfs/dbraw/zinc/30/84/21/573308421.db2.gz DGEDOGPIGLZBST-HTQZYQBOSA-N 0 0 153.250 2.042 10 30 AEEERN CC(C)(C)c1ccnc(CCS)n1 259081078 573309963 /nfs/dbraw/zinc/30/99/63/573309963.db2.gz LWLWCULEHMLMGK-UHFFFAOYSA-N 0 0 196.319 2.246 10 30 AEEERN C#CCCNc1cccc2c1cnn2C 308857927 573309972 /nfs/dbraw/zinc/30/99/72/573309972.db2.gz ULMZCLYNCJUOAH-UHFFFAOYSA-N 0 0 199.257 2.009 10 30 AEEERN CC(C)c1ccnc(CCS)n1 259081290 573310081 /nfs/dbraw/zinc/31/00/81/573310081.db2.gz LYPNTDMAHHFFKL-UHFFFAOYSA-N 0 0 182.292 2.072 10 30 AEEERN C#Cc1c(C)cncc1Cl 209763006 573310237 /nfs/dbraw/zinc/31/02/37/573310237.db2.gz ZHJYLGZMNLUOBM-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN COc1cncc(CC#N)c1C(F)F 238345626 573310349 /nfs/dbraw/zinc/31/03/49/573310349.db2.gz DPZNZLPJDLRHHC-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CC(C)[C@H](C#N)CN(C)c1ccc[nH]1 259079112 573310360 /nfs/dbraw/zinc/31/03/60/573310360.db2.gz VAZRNKKFIJPDPA-SNVBAGLBSA-N 0 0 191.278 2.247 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@H](OC)C(C)C 715770692 573314142 /nfs/dbraw/zinc/31/41/42/573314142.db2.gz CSDMRIQOLACVGD-KOLCDFICSA-N 0 0 184.279 2.439 10 30 AEEERN Cc1cc(F)c(F)cc1CCC=O 258001251 573314160 /nfs/dbraw/zinc/31/41/60/573314160.db2.gz GLMWHGAVKFPBLH-UHFFFAOYSA-N 0 0 184.185 2.405 10 30 AEEERN CC#CC[C@H](NN)C(CCC)CCC 129342970 573314376 /nfs/dbraw/zinc/31/43/76/573314376.db2.gz ZAGJMTCTSAEXAK-LBPRGKRZSA-N 0 0 196.338 2.448 10 30 AEEERN N#Cc1nccc(C2CCCC2)n1 259083309 573314463 /nfs/dbraw/zinc/31/44/63/573314463.db2.gz MFEOEDZAEUJMJV-UHFFFAOYSA-N 0 0 173.219 2.006 10 30 AEEERN O[C@H](CS)c1cccc(Cl)c1 258303872 573323630 /nfs/dbraw/zinc/32/36/30/573323630.db2.gz WQSPTTMPTIRLCY-MRVPVSSYSA-N 0 0 188.679 2.303 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@H]1CCCOC1 715772573 573323671 /nfs/dbraw/zinc/32/36/71/573323671.db2.gz JFQZWZXWVGHUSQ-NXEZZACHSA-N 0 0 182.263 2.194 10 30 AEEERN CC1(C)Cc2cccc(CC=O)c2O1 82954693 573323813 /nfs/dbraw/zinc/32/38/13/573323813.db2.gz NGOMQHHBGADKCC-UHFFFAOYSA-N 0 0 190.242 2.142 10 30 AEEERN C=C(CC)C[C@H](O)c1ncc(C)cn1 132627336 573323928 /nfs/dbraw/zinc/32/39/28/573323928.db2.gz XJFGQURPVDPQLW-JTQLQIEISA-N 0 0 192.262 2.175 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@H]1CCCOC1 715772587 573324037 /nfs/dbraw/zinc/32/40/37/573324037.db2.gz JFQZWZXWVGHUSQ-ZJUUUORDSA-N 0 0 182.263 2.194 10 30 AEEERN Cc1cc2c(cc1C#N)OC(C)(C)O2 258003810 573324043 /nfs/dbraw/zinc/32/40/43/573324043.db2.gz GSQFEBSASIPTRT-UHFFFAOYSA-N 0 0 189.214 2.374 10 30 AEEERN CCCc1nc2c(C#N)cccc2n1C 135530247 573324098 /nfs/dbraw/zinc/32/40/98/573324098.db2.gz FYFGCIBEHCMLRH-UHFFFAOYSA-N 0 0 199.257 2.397 10 30 AEEERN CC[C@H](C#N)NC1C(C)(C)C1(C)C 86240180 573327853 /nfs/dbraw/zinc/32/78/53/573327853.db2.gz IQMSGJFQDBBZGJ-MRVPVSSYSA-N 0 0 180.295 2.313 10 30 AEEERN C#CCSc1ccccc1NC 238342846 573327969 /nfs/dbraw/zinc/32/79/69/573327969.db2.gz QVEBGBFVAVNDAS-UHFFFAOYSA-N 0 0 177.272 2.454 10 30 AEEERN C[C@H](C#N)NCC1C(C)(C)C1(C)C 86240073 573328187 /nfs/dbraw/zinc/32/81/87/573328187.db2.gz MIPSOBOYNYDYTE-MRVPVSSYSA-N 0 0 180.295 2.170 10 30 AEEERN COc1c(C(F)F)ncc(C)c1C#N 238343035 573328237 /nfs/dbraw/zinc/32/82/37/573328237.db2.gz DGNIHLATBPTMGJ-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=C(c1ccc(OC)cc1)[C@H](C)O 238344246 573328274 /nfs/dbraw/zinc/32/82/74/573328274.db2.gz CWTDGRPMJPRJJO-VIFPVBQESA-N 0 0 178.231 2.089 10 30 AEEERN Fc1cccc(OCCC[C@H]2CO2)c1 308550292 573328313 /nfs/dbraw/zinc/32/83/13/573328313.db2.gz XGWKOHWSPOKAGQ-NSHDSACASA-N 0 0 196.221 2.384 10 30 AEEERN CC(C)(C)Oc1cccc(N)c1C#N 143609136 573328434 /nfs/dbraw/zinc/32/84/34/573328434.db2.gz GULVFDOPLJAXKC-UHFFFAOYSA-N 0 0 190.246 2.318 10 30 AEEERN CC(CCc1ccc(C)cc1)=NN 308349060 573330985 /nfs/dbraw/zinc/33/09/85/573330985.db2.gz XKEFJSLWQKYMCB-UHFFFAOYSA-N 0 0 176.263 2.262 10 30 AEEERN C#CC[C@@H](CC)NC(=O)[C@@H](C)CCC 126086025 573333374 /nfs/dbraw/zinc/33/33/74/573333374.db2.gz OEZIUPRPVLILSB-WDEREUQCSA-N 0 0 195.306 2.341 10 30 AEEERN C=C(CCO)CCc1ccc(C)o1 238465381 573337442 /nfs/dbraw/zinc/33/74/42/573337442.db2.gz FUISEGHKHPHDOM-UHFFFAOYSA-N 0 0 180.247 2.459 10 30 AEEERN CC#CCCOC(=O)/C=C\C(C)C 308346268 573337587 /nfs/dbraw/zinc/33/75/87/573337587.db2.gz VQDPJNRQMSIRIT-FPLPWBNLSA-N 0 0 180.247 2.155 10 30 AEEERN C=CC[C@H](O)/C=C(/C)C=C 223034680 573337614 /nfs/dbraw/zinc/33/76/14/573337614.db2.gz IWJOSWRWZXXPBJ-FUOZMLNRSA-N 0 0 138.210 2.056 10 30 AEEERN CCC(=O)c1c(C#N)cccc1OC 306611973 573337665 /nfs/dbraw/zinc/33/76/65/573337665.db2.gz HONJUUMMACDUIB-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN C#C[C@H](C)Oc1cccc(F)c1C=O 235564611 573338681 /nfs/dbraw/zinc/33/86/81/573338681.db2.gz GNWYPLYXGJPLCE-QMMMGPOBSA-N 0 0 192.189 2.039 10 30 AEEERN Cc1ccc([C@@](C)(O)CCC=O)cc1 308555541 573338768 /nfs/dbraw/zinc/33/87/68/573338768.db2.gz SAISVJUHLKWNBM-LBPRGKRZSA-N 0 0 192.258 2.182 10 30 AEEERN CC(C)C[C@@H](C)OCCO[C@@H](C)C#N 308555340 573338943 /nfs/dbraw/zinc/33/89/43/573338943.db2.gz RWADYYQZZRZDSY-MNOVXSKESA-N 0 0 199.294 2.366 10 30 AEEERN CC#CCCc1cc(C=O)co1 143644191 573339020 /nfs/dbraw/zinc/33/90/20/573339020.db2.gz MFCPNLUEEHVIGU-UHFFFAOYSA-N 0 0 162.188 2.048 10 30 AEEERN O[C@@H](CS)c1c[nH]c2ccccc12 259091476 573339094 /nfs/dbraw/zinc/33/90/94/573339094.db2.gz GUTXDFRPJDJGKM-JTQLQIEISA-N 0 0 193.271 2.131 10 30 AEEERN C=C[C@H]1COc2ccc(OC)cc2N1 238354338 573339100 /nfs/dbraw/zinc/33/91/00/573339100.db2.gz HXSSAUXLSVUDPA-QMMMGPOBSA-N 0 0 191.230 2.054 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CC12CCC2 308342235 573339141 /nfs/dbraw/zinc/33/91/41/573339141.db2.gz RRCYMRXLBQXZPG-DTWKUNHWSA-N 0 0 180.247 2.294 10 30 AEEERN Cc1cc(C#N)c2c(C3CC3)noc2n1 259423560 573339176 /nfs/dbraw/zinc/33/91/76/573339176.db2.gz LNEVCNLRBBAURU-UHFFFAOYSA-N 0 0 199.213 2.280 10 30 AEEERN C[C@H]1CC(C)(C)C[C@]1(C#N)NC1CC1 235560330 573339220 /nfs/dbraw/zinc/33/92/20/573339220.db2.gz AHUFSGUXQDXLPK-JOYOIKCWSA-N 0 0 192.306 2.457 10 30 AEEERN CCCN(CC#N)CC1(C)CCC1 308352548 573341983 /nfs/dbraw/zinc/34/19/83/573341983.db2.gz ZCSITXJHRQMEIH-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN COc1cc(C)c(C#N)c(C(F)F)n1 238362769 573343311 /nfs/dbraw/zinc/34/33/11/573343311.db2.gz JELASXACBQPEFA-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCOC(=O)/C(=C/CCCC=O)CC 308352468 573343328 /nfs/dbraw/zinc/34/33/28/573343328.db2.gz NJNXMESWQWIFBS-CSKARUKUSA-N 0 0 198.262 2.255 10 30 AEEERN N#Cc1ccc(NC2CC=CC2)c(N)c1 135548768 573343330 /nfs/dbraw/zinc/34/33/30/573343330.db2.gz OHFYRKLJUSNMDT-UHFFFAOYSA-N 0 0 199.257 2.271 10 30 AEEERN C=CCCCOC(=O)/C=C\C1CC1 308352940 573343399 /nfs/dbraw/zinc/34/33/99/573343399.db2.gz ZLLPPYJKAKICSC-FPLPWBNLSA-N 0 0 180.247 2.462 10 30 AEEERN COc1ccc(C(F)F)nc1CC#N 238356435 573343465 /nfs/dbraw/zinc/34/34/65/573343465.db2.gz AFOPUPWFARVWPK-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C=CCc1ccc(C)c(OC)c1O 238362698 573343584 /nfs/dbraw/zinc/34/35/84/573343584.db2.gz MNNQQLCHLBZSSL-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 AEEERN CC1(C)CC(/C=C/CCC=O)=C[C@H]1O 308353240 573343692 /nfs/dbraw/zinc/34/36/92/573343692.db2.gz OGFJVNRUHIFWNU-DUMNWFOQSA-N 0 0 194.274 2.239 10 30 AEEERN N#C[C@H](NCC1CC1)C1CCCC1 50272579 573343772 /nfs/dbraw/zinc/34/37/72/573343772.db2.gz KSBMZQLVKFJKGD-NSHDSACASA-N 0 0 178.279 2.068 10 30 AEEERN SC[C@H]1CCc2ccccc2N1 258287627 573343782 /nfs/dbraw/zinc/34/37/82/573343782.db2.gz VPEKMEVZQFPHLX-SECBINFHSA-N 0 0 179.288 2.343 10 30 AEEERN COc1cccc(C(C)(C)C=O)c1F 107087311 573343807 /nfs/dbraw/zinc/34/38/07/573343807.db2.gz DWNPVRODAULDQJ-UHFFFAOYSA-N 0 0 196.221 2.311 10 30 AEEERN COc1c(C)cc(C#N)nc1C(F)F 238356635 573343832 /nfs/dbraw/zinc/34/38/32/573343832.db2.gz YZVRNDZVZJLORC-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=CC[C@H](C)C(=O)C[C@H]1CCCO1 715775715 573344541 /nfs/dbraw/zinc/34/45/41/573344541.db2.gz UNRWCFBUVCPSJE-VHSXEESVSA-N 0 0 182.263 2.337 10 30 AEEERN C=CC[C@H](NN)c1cscc1C 129560613 573344595 /nfs/dbraw/zinc/34/45/95/573344595.db2.gz CODIDVVUQWHXAB-VIFPVBQESA-N 0 0 182.292 2.137 10 30 AEEERN C=CC[C@@H](C)C(=O)C[C@@H]1CCCO1 715775718 573344601 /nfs/dbraw/zinc/34/46/01/573344601.db2.gz UNRWCFBUVCPSJE-ZJUUUORDSA-N 0 0 182.263 2.337 10 30 AEEERN C[C@](O)(CCC=O)Cc1cccs1 689947341 573344664 /nfs/dbraw/zinc/34/46/64/573344664.db2.gz MXJKNPCRXNPSRA-JTQLQIEISA-N 0 0 198.287 2.021 10 30 AEEERN CCN(CC)[C@@H](C#N)C1CCCC1 50272954 573344711 /nfs/dbraw/zinc/34/47/11/573344711.db2.gz RLQYKVGFUMIUTO-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN N#CCc1nccc2cccc(F)c12 259609152 573344731 /nfs/dbraw/zinc/34/47/31/573344731.db2.gz FTSGDRGVCLUAGB-UHFFFAOYSA-N 0 0 186.189 2.440 10 30 AEEERN CSCCNc1cccc(C#N)c1 135547483 573344820 /nfs/dbraw/zinc/34/48/20/573344820.db2.gz SZQXFEZAYOCJPU-UHFFFAOYSA-N 0 0 192.287 2.333 10 30 AEEERN N#Cc1cc(-c2nccs2)ccn1 259609107 573344851 /nfs/dbraw/zinc/34/48/51/573344851.db2.gz FSTXRKSVAACXMT-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN COc1ccc2c(c1)C=C[C@@H]2C=O 238356318 573344862 /nfs/dbraw/zinc/34/48/62/573344862.db2.gz IKPXLJLHELISQM-SECBINFHSA-N 0 0 174.199 2.005 10 30 AEEERN C=CC[C@@H](C)C(=O)c1ccncc1 715775374 573344882 /nfs/dbraw/zinc/34/48/82/573344882.db2.gz SLWIBXJSXCFHEM-SECBINFHSA-N 0 0 175.231 2.477 10 30 AEEERN CC[C@@H](C#N)c1ccsc1N 107102479 573344922 /nfs/dbraw/zinc/34/49/22/573344922.db2.gz OTEOOFQLPNQNJA-LURJTMIESA-N 0 0 166.249 2.347 10 30 AEEERN CCC[C@@H]1[C@H](CC)[C@H](O)[C@@]1(C=O)CC 308353791 573345008 /nfs/dbraw/zinc/34/50/08/573345008.db2.gz OVBNNLGNASMPRH-WHOHXGKFSA-N 0 0 198.306 2.399 10 30 AEEERN CCCN[C@H](C#N)C1CCCC1 50272463 573345898 /nfs/dbraw/zinc/34/58/98/573345898.db2.gz LECNZRGFHMABJK-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN N#C[C@@H](NCC1CC1)C1CCCC1 50272578 573346032 /nfs/dbraw/zinc/34/60/32/573346032.db2.gz KSBMZQLVKFJKGD-LLVKDONJSA-N 0 0 178.279 2.068 10 30 AEEERN N#Cc1cnccc1-c1ccco1 223220022 573346099 /nfs/dbraw/zinc/34/60/99/573346099.db2.gz WYGCGRNSXKEXKM-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN C#CCCC(=O)c1ccncc1CC 132804797 573346116 /nfs/dbraw/zinc/34/61/16/573346116.db2.gz BAOSFWKTLZVYRR-UHFFFAOYSA-N 0 0 187.242 2.240 10 30 AEEERN C=CC[C@@H](C)C(=O)C[C@H]1CCCO1 715775711 573346135 /nfs/dbraw/zinc/34/61/35/573346135.db2.gz UNRWCFBUVCPSJE-NXEZZACHSA-N 0 0 182.263 2.337 10 30 AEEERN N#CCCc1ccc2cc(O)ccc2n1 259609673 573346157 /nfs/dbraw/zinc/34/61/57/573346157.db2.gz MSZBDKIUSQQNMY-UHFFFAOYSA-N 0 0 198.225 2.397 10 30 AEEERN CC(C)CCCOCCO[C@H](C)C#N 308556512 573346287 /nfs/dbraw/zinc/34/62/87/573346287.db2.gz SPCHOQWIRCPVLL-LLVKDONJSA-N 0 0 199.294 2.368 10 30 AEEERN N#CC[C@H](NCCF)c1ccccc1 308556508 573346299 /nfs/dbraw/zinc/34/62/99/573346299.db2.gz SOXGMDCDMWYSFH-NSHDSACASA-N 0 0 192.237 2.200 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@]1(C)CCCO1 715775445 573346389 /nfs/dbraw/zinc/34/63/89/573346389.db2.gz SOBGTKKJBJUVAR-GXSJLCMTSA-N 0 0 182.263 2.337 10 30 AEEERN C=C(CC(=O)OC)[C@@H]1CCCS1 258288289 573346893 /nfs/dbraw/zinc/34/68/93/573346893.db2.gz TVCFEJSVUOQFNM-QMMMGPOBSA-N 0 0 186.276 2.001 10 30 AEEERN COc1cc(C)c(C#N)nc1C(F)F 238362916 573346916 /nfs/dbraw/zinc/34/69/16/573346916.db2.gz BXDHFUUYFVCHNW-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCCCCCC[C@@](C)(O)CO 132885532 573346993 /nfs/dbraw/zinc/34/69/93/573346993.db2.gz WNWOGGKWMFOVMT-SNVBAGLBSA-N 0 0 174.284 2.090 10 30 AEEERN CC[C@@H](C#N)NC[C@H]1CCCSC1 308359357 573347069 /nfs/dbraw/zinc/34/70/69/573347069.db2.gz LRMNCVFUTAHJRG-ZJUUUORDSA-N 0 0 198.335 2.021 10 30 AEEERN CCCC(C)(C)[NH2+]C[C@H](C)C#N 126103380 573350615 /nfs/dbraw/zinc/35/06/15/573350615.db2.gz XYQKSHHGCIDGCQ-SECBINFHSA-N 0 0 168.284 2.314 10 30 AEEERN Cc1cc(O)c(Cl)c(CC#N)c1 258006152 573351777 /nfs/dbraw/zinc/35/17/77/573351777.db2.gz GWYAQNYVSQCMCZ-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN C#C[C@H](C)Oc1ccc(C)cc1C=O 235571100 573351845 /nfs/dbraw/zinc/35/18/45/573351845.db2.gz WILLCDNJAPBHBR-JTQLQIEISA-N 0 0 188.226 2.208 10 30 AEEERN Cc1ccc([C@H](C)CC=O)c(O)c1 258006241 573352086 /nfs/dbraw/zinc/35/20/86/573352086.db2.gz MLDMTBRKVMBIFE-SECBINFHSA-N 0 0 178.231 2.393 10 30 AEEERN Cc1ccccc1C1(C#N)CC(=O)C1 82999508 573352096 /nfs/dbraw/zinc/35/20/96/573352096.db2.gz IZLDACZFFOBDNV-UHFFFAOYSA-N 0 0 185.226 2.119 10 30 AEEERN CC#CCCC1=C(OC)CCC1=O 238367808 573353224 /nfs/dbraw/zinc/35/32/24/573353224.db2.gz MKVXRHRNCZCXKX-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN N#Cc1ccccc1NCC1(C#N)CC1 258636970 573353350 /nfs/dbraw/zinc/35/33/50/573353350.db2.gz LIJVCFITPKJIFA-UHFFFAOYSA-N 0 0 197.241 2.274 10 30 AEEERN COC1=C(C)C[C@](C)(CC=O)C=C1 238367266 573353410 /nfs/dbraw/zinc/35/34/10/573353410.db2.gz WRWNOFKPGNTZSL-NSHDSACASA-N 0 0 180.247 2.462 10 30 AEEERN C#CCCSCc1ncc(C)cn1 308361603 573353520 /nfs/dbraw/zinc/35/35/20/573353520.db2.gz DWDAGJIODOKHMR-UHFFFAOYSA-N 0 0 192.287 2.042 10 30 AEEERN O=CCCC(O)(C1CCC1)C1CCC1 308558395 573353523 /nfs/dbraw/zinc/35/35/23/573353523.db2.gz UNZFZOLPEZQZIH-UHFFFAOYSA-N 0 0 196.290 2.297 10 30 AEEERN CN1CCc2cc(CCC#N)ccc21 259089783 573353833 /nfs/dbraw/zinc/35/38/33/573353833.db2.gz DMFVCOXFDDWIEC-UHFFFAOYSA-N 0 0 186.258 2.135 10 30 AEEERN C=C(C)CC1=C(OC)CCC1=O 238367765 573353866 /nfs/dbraw/zinc/35/38/66/573353866.db2.gz LVXANUCBWZMEEP-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C#C[C@H](C)OCc1ccnc(Cl)c1 235571013 573353923 /nfs/dbraw/zinc/35/39/23/573353923.db2.gz BOGKQCRNQPXFPM-QMMMGPOBSA-N 0 0 195.649 2.273 10 30 AEEERN C#C[C@H](C)Oc1ccc(C)cc1C#N 235570573 573353994 /nfs/dbraw/zinc/35/39/94/573353994.db2.gz CVKINSXIYYFEMI-JTQLQIEISA-N 0 0 185.226 2.267 10 30 AEEERN C=CC[C@H](O)c1ccncc1CC 132861793 573354002 /nfs/dbraw/zinc/35/40/02/573354002.db2.gz ISKNNJLCNLCTDG-NSHDSACASA-N 0 0 177.247 2.254 10 30 AEEERN C#CCC[C@@H](O)c1ccncc1CC 132858639 573354026 /nfs/dbraw/zinc/35/40/26/573354026.db2.gz NMIYMABUYVOBRF-GFCCVEGCSA-N 0 0 189.258 2.091 10 30 AEEERN C=CCOc1cccc(C=NO)c1 308357627 573354030 /nfs/dbraw/zinc/35/40/30/573354030.db2.gz BVTAHJVAUYJLIN-UHFFFAOYSA-N 0 0 177.203 2.060 10 30 AEEERN COC1=C(Cl)C(=O)CC1(C)C 238367950 573354086 /nfs/dbraw/zinc/35/40/86/573354086.db2.gz ODZYHTLXADEVGJ-UHFFFAOYSA-N 0 0 174.627 2.082 10 30 AEEERN CC1(Nc2cc(C#N)ccc2N)CC1 135571593 573356930 /nfs/dbraw/zinc/35/69/30/573356930.db2.gz XWIWZKWYIHOQER-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN Cc1ccc(C2(C#N)CC(=O)C2)cc1 82999522 573356991 /nfs/dbraw/zinc/35/69/91/573356991.db2.gz MRGKIHUNFLXHNX-UHFFFAOYSA-N 0 0 185.226 2.119 10 30 AEEERN CC1(Nc2cnccc2C#N)CCC1 135573073 573358787 /nfs/dbraw/zinc/35/87/87/573358787.db2.gz JRTDBIVCYCIVQM-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN C=C(CC=O)[C@H]1CCCS1 258298162 573358793 /nfs/dbraw/zinc/35/87/93/573358793.db2.gz UOXIGTZRJCVPOQ-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN N#Cc1cc2c3n(cc2[nH]1)CCCC3 259609311 573358975 /nfs/dbraw/zinc/35/89/75/573358975.db2.gz FVYTXORHWMZYIQ-UHFFFAOYSA-N 0 0 185.230 2.177 10 30 AEEERN N#CCc1c(F)cc2oncc2c1F 214758617 573359010 /nfs/dbraw/zinc/35/90/10/573359010.db2.gz GTFKJLTZYDJWEJ-UHFFFAOYSA-N 0 0 194.140 2.172 10 30 AEEERN C=C(C)c1cc(OC)c(OC)cc1N 224897520 573359235 /nfs/dbraw/zinc/35/92/35/573359235.db2.gz HWGQPLYMGDDZPS-UHFFFAOYSA-N 0 0 193.246 2.319 10 30 AEEERN COc1ccc(CC#N)c(SC)c1 214743570 573359403 /nfs/dbraw/zinc/35/94/03/573359403.db2.gz JZHGGQZQFSTQRX-UHFFFAOYSA-N 0 0 193.271 2.483 10 30 AEEERN C=C[C@H](C)C(C)(C)C(C)=O 238368868 573359459 /nfs/dbraw/zinc/35/94/59/573359459.db2.gz KGBIPUAMOURZJP-ZETCQYMHSA-N 0 0 140.226 2.424 10 30 AEEERN O=CCC[C@@]1(O)CCC[C@H](C2CC2)C1 308562616 573359485 /nfs/dbraw/zinc/35/94/85/573359485.db2.gz WXWDUDGVLGOGHH-RYUDHWBXSA-N 0 0 196.290 2.297 10 30 AEEERN C=C(CC=O)[C@@H]1CCCS1 258298166 573359559 /nfs/dbraw/zinc/35/95/59/573359559.db2.gz UOXIGTZRJCVPOQ-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN CC(N=Nc1ccccc1)[C@@H](C)CO 238368764 573359590 /nfs/dbraw/zinc/35/95/90/573359590.db2.gz VBIWFBOCWLFBTD-QTLFRQQHSA-N 0 0 192.262 2.103 10 30 AEEERN Cc1ccc(CCC=O)cc1N(C)C 259427401 573359619 /nfs/dbraw/zinc/35/96/19/573359619.db2.gz KQTFRUWHDXDQDQ-UHFFFAOYSA-N 0 0 191.274 2.193 10 30 AEEERN COc1c(C(F)F)cc(C#N)nc1C 238369134 573359667 /nfs/dbraw/zinc/35/96/67/573359667.db2.gz SAOFEFIUPMMSKS-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=C[C@H](C)C1=C(OC)CCC1=O 238368929 573359741 /nfs/dbraw/zinc/35/97/41/573359741.db2.gz AUTGDYDTCXGELA-ZETCQYMHSA-N 0 0 166.220 2.072 10 30 AEEERN SCc1ccc2c(c1)CCN2 258313490 573363907 /nfs/dbraw/zinc/36/39/07/573363907.db2.gz XDCOOOONRBUXPU-UHFFFAOYSA-N 0 0 165.261 2.084 10 30 AEEERN Cc1ccc(C)c([C@H](O)CCC=O)c1 308563327 573364221 /nfs/dbraw/zinc/36/42/21/573364221.db2.gz XFSVUDRRRDBCQR-GFCCVEGCSA-N 0 0 192.258 2.316 10 30 AEEERN C=C[C@H](C)C/C=C/[C@@H](C)O 238380047 573364315 /nfs/dbraw/zinc/36/43/15/573364315.db2.gz XNLHHMRRVAFUBC-KSOOHAFHSA-N 0 0 140.226 2.136 10 30 AEEERN O=CCc1cnc(-c2cccs2)o1 258011223 573364368 /nfs/dbraw/zinc/36/43/68/573364368.db2.gz JCJAWVRNOFHZIZ-UHFFFAOYSA-N 0 0 193.227 2.145 10 30 AEEERN C=C[C@@H](C)CN(C)C(=O)/C=C/CC 308368968 573365398 /nfs/dbraw/zinc/36/53/98/573365398.db2.gz PKYKUJYHPHOGRJ-QROSGCPLSA-N 0 0 181.279 2.233 10 30 AEEERN N#Cc1cccc2[nH]c(C3CC3)nc12 107129357 573365424 /nfs/dbraw/zinc/36/54/24/573365424.db2.gz VYLNUAIKRRGLHS-UHFFFAOYSA-N 0 0 183.214 2.312 10 30 AEEERN CCC[C@H](C#N)[C@]1(O)CC[C@H](C)C1 86327864 573365517 /nfs/dbraw/zinc/36/55/17/573365517.db2.gz GTJCKLFORLNXMH-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN CCc1ccc(CCC=O)c(O)c1 238360810 573365907 /nfs/dbraw/zinc/36/59/07/573365907.db2.gz ADNIPHFCCNSGMI-UHFFFAOYSA-N 0 0 178.231 2.086 10 30 AEEERN C=C[C@H](C)[C@@H](O)c1ccccc1N 238371359 573373323 /nfs/dbraw/zinc/37/33/23/573373323.db2.gz XWPBKWXFBLDOKO-GZMMTYOYSA-N 0 0 177.247 2.124 10 30 AEEERN Cc1ncc(C=NNC(C)(C)C)s1 308374983 573373336 /nfs/dbraw/zinc/37/33/36/573373336.db2.gz MWDWKNUOMYMSQP-UHFFFAOYSA-N 0 0 197.307 2.174 10 30 AEEERN C=C[C@H](C)[C@@](C)(O)c1ccccc1O 238372335 573373354 /nfs/dbraw/zinc/37/33/54/573373354.db2.gz DBCFGHNZTIRKDH-JOYOIKCWSA-N 0 0 192.258 2.422 10 30 AEEERN CSc1nccc(C#N)c1Cl 235073507 573373401 /nfs/dbraw/zinc/37/34/01/573373401.db2.gz VAHDKBRAUMWWDC-UHFFFAOYSA-N 0 0 184.651 2.329 10 30 AEEERN COc1ccc(Cl)c(OC)c1C#N 258016708 573373411 /nfs/dbraw/zinc/37/34/11/573373411.db2.gz HUQYRTDSHJWQPT-UHFFFAOYSA-N 0 0 197.621 2.229 10 30 AEEERN CO[C@@H]1[C@@H](c2ccccc2)[C@@]1(C)C=O 238371484 573373424 /nfs/dbraw/zinc/37/34/24/573373424.db2.gz OQFLWXLYSCAVBS-IJLUTSLNSA-N 0 0 190.242 2.004 10 30 AEEERN Cc1cc(O)cc([C@H](C)CC=O)c1 258015976 573373433 /nfs/dbraw/zinc/37/34/33/573373433.db2.gz NPZUZGIJIFZYND-SECBINFHSA-N 0 0 178.231 2.393 10 30 AEEERN C#C[C@H](CC)OC(=O)/C(C)=C\CC 308375672 573373446 /nfs/dbraw/zinc/37/34/46/573373446.db2.gz SARSUWWQMOOUNN-HSTULFTRSA-N 0 0 180.247 2.298 10 30 AEEERN N#Cc1ccncc1Nc1cccnc1 135586607 573373477 /nfs/dbraw/zinc/37/34/77/573373477.db2.gz WOUHXNDMVQTYGX-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN C=C[C@H](C)[C@@H]1CC[C@@H](C=C)[C@@H]1O 238371669 573373564 /nfs/dbraw/zinc/37/35/64/573373564.db2.gz ZSUBBXJTIFAVON-VLEAKVRGSA-N 0 0 166.264 2.382 10 30 AEEERN CC[C@H](C)ON=CC1(OC)CCC1 308375664 573374178 /nfs/dbraw/zinc/37/41/78/573374178.db2.gz SALRXNALMYQING-VIFPVBQESA-N 0 0 185.267 2.356 10 30 AEEERN C=C[C@H](C)[C@H]1C=CC[C@@H](CO)C1 238371747 573374202 /nfs/dbraw/zinc/37/42/02/573374202.db2.gz CRGJEBMDIXJZGK-AXFHLTTASA-N 0 0 166.264 2.383 10 30 AEEERN C=C[C@H](C)[C@@](C)(O)c1ccccc1N 238372300 573374275 /nfs/dbraw/zinc/37/42/75/573374275.db2.gz WWIQEZZSONORBC-JOYOIKCWSA-N 0 0 191.274 2.298 10 30 AEEERN COc1ccc(F)c(CCC=O)c1C 258016599 573374355 /nfs/dbraw/zinc/37/43/55/573374355.db2.gz HTIRLOHZEGZMII-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CC(C)=CC(=O)C1CCC1 117873482 573374356 /nfs/dbraw/zinc/37/43/56/573374356.db2.gz RLTNMBFISFULMR-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C#C[C@H](CC)OC(=O)/C(C)=C/CC 308375666 573374359 /nfs/dbraw/zinc/37/43/59/573374359.db2.gz SARSUWWQMOOUNN-AAXQSMANSA-N 0 0 180.247 2.298 10 30 AEEERN O=CCCc1c(O)ccc2c1CCC2 258014092 573374436 /nfs/dbraw/zinc/37/44/36/573374436.db2.gz HPNVXNSCDPQRHR-UHFFFAOYSA-N 0 0 190.242 2.012 10 30 AEEERN CC(C)c1nc2n(c1C#N)CCCC2 259099799 573374850 /nfs/dbraw/zinc/37/48/50/573374850.db2.gz PYCXZJBSWVHZQX-UHFFFAOYSA-N 0 0 189.262 2.214 10 30 AEEERN C=C[C@H](C)[C@@](C)(C=C)C=O 238372133 573374910 /nfs/dbraw/zinc/37/49/10/573374910.db2.gz RGPRDBVEZRORMC-IUCAKERBSA-N 0 0 138.210 2.200 10 30 AEEERN CCCCCNN=C[C@H](C)COC 308376182 573374918 /nfs/dbraw/zinc/37/49/18/573374918.db2.gz SILHYWBEYBCRFK-JTQLQIEISA-N 0 0 186.299 2.035 10 30 AEEERN CCc1ccc(OC)c(CCC=O)c1 258018958 573378609 /nfs/dbraw/zinc/37/86/09/573378609.db2.gz HXYHHFQRLZOYGP-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN CCc1cc(F)c(O)c(CCC=O)c1 258016935 573378643 /nfs/dbraw/zinc/37/86/43/573378643.db2.gz HXLVXRPBHCPOAB-UHFFFAOYSA-N 0 0 196.221 2.225 10 30 AEEERN CC(C)=CC(=O)c1ccccn1 117873132 573378661 /nfs/dbraw/zinc/37/86/61/573378661.db2.gz LBXDMHYXHFIDPZ-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C/N=C(\SC)c1ccco1 258640576 573378695 /nfs/dbraw/zinc/37/86/95/573378695.db2.gz KHZZJKQGKQKYNU-FPLPWBNLSA-N 0 0 155.222 2.019 10 30 AEEERN C[C@H](CO)CCC[C@@H]1CC[C@H]1CC=O 308370579 573378706 /nfs/dbraw/zinc/37/87/06/573378706.db2.gz QRAFDZDISJTFNL-TUAOUCFPSA-N 0 0 198.306 2.400 10 30 AEEERN COC1=C[C@@H](C(C)C)CCC1=O 238376141 573382930 /nfs/dbraw/zinc/38/29/30/573382930.db2.gz GXSPIUYPQCIXST-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN CO[C@@H]1c2ccccc2[C@@H]2C[C@@]21C=O 238374118 573385381 /nfs/dbraw/zinc/38/53/81/573385381.db2.gz AMYZBFYWZCSYQR-QJPTWQEYSA-N 0 0 188.226 2.060 10 30 AEEERN C=C1CC[C@H](O[C@H](C)OCC)C1 39089762 573385434 /nfs/dbraw/zinc/38/54/34/573385434.db2.gz GQNNJRSHTZJODD-ZJUUUORDSA-N 0 0 170.252 2.494 10 30 AEEERN COC1=CCCC(C)(C)[C@H]1C=O 238374518 573385457 /nfs/dbraw/zinc/38/54/57/573385457.db2.gz HZJPOCOGOFDDPV-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN COC1=C[C@@H](C(C)(C)C)CC1=O 238376098 573385467 /nfs/dbraw/zinc/38/54/67/573385467.db2.gz WPKMGMAYQFBGLO-ZETCQYMHSA-N 0 0 168.236 2.152 10 30 AEEERN C[C@@H](C=O)c1ccc(Cl)o1 107159248 573385629 /nfs/dbraw/zinc/38/56/29/573385629.db2.gz UWAPWSDMSUZABT-YFKPBYRVSA-N 0 0 158.584 2.235 10 30 AEEERN C=C[C@H](C)[C@](C)(C=C)C=O 238374794 573385650 /nfs/dbraw/zinc/38/56/50/573385650.db2.gz RGPRDBVEZRORMC-DTWKUNHWSA-N 0 0 138.210 2.200 10 30 AEEERN Cc1ccc2c(c1)[C@@H]1N[C@H](C#N)C[C@@H]1C2 259436682 573393680 /nfs/dbraw/zinc/39/36/80/573393680.db2.gz AKUBNDAUCUAXFZ-GMXVVIOVSA-N 0 0 198.269 2.094 10 30 AEEERN C=CCN(CC)C(=O)/C=C\CCC 308379647 573393687 /nfs/dbraw/zinc/39/36/87/573393687.db2.gz UHTUFUYKSROSKI-HJWRWDBZSA-N 0 0 181.279 2.377 10 30 AEEERN C=CCC[C@@H](C)[C@@H](C)CO 238379735 573393851 /nfs/dbraw/zinc/39/38/51/573393851.db2.gz KLGGPFZFRIWKPF-BDAKNGLRSA-N 0 0 142.242 2.217 10 30 AEEERN CC[C@@H](C)[C@@H](C#N)SC 86386792 573393944 /nfs/dbraw/zinc/39/39/44/573393944.db2.gz CBEWNFUWPYVMBY-RNFRBKRXSA-N 0 0 143.255 2.288 10 30 AEEERN C#CCONC1CCC(C(C)C)CC1 308570013 573394008 /nfs/dbraw/zinc/39/40/08/573394008.db2.gz JRZSPOOBAJMIKG-UHFFFAOYSA-N 0 0 195.306 2.356 10 30 AEEERN C[C@@H](C=O)[C@@](C)(C#N)c1ccccc1 238379701 573394013 /nfs/dbraw/zinc/39/40/13/573394013.db2.gz URVPFDGWCYCBPK-CMPLNLGQSA-N 0 0 187.242 2.303 10 30 AEEERN C[C@H](F)[C@@H](CC=O)C1CCC1 258495324 573394081 /nfs/dbraw/zinc/39/40/81/573394081.db2.gz KNEGXHCSGXCRHQ-IONNQARKSA-N 0 0 158.216 2.350 10 30 AEEERN CC[C@H](C)[C@H](C#N)SC 86386797 573395721 /nfs/dbraw/zinc/39/57/21/573395721.db2.gz CBEWNFUWPYVMBY-BQBZGAKWSA-N 0 0 143.255 2.288 10 30 AEEERN CO[C@H](C=O)c1cc(C)ccc1C 107166366 573395722 /nfs/dbraw/zinc/39/57/22/573395722.db2.gz PASKCQFUBLNPRF-LLVKDONJSA-N 0 0 178.231 2.190 10 30 AEEERN N#CC12CCC(C=O)(CC1)CC2 224091794 573395725 /nfs/dbraw/zinc/39/57/25/573395725.db2.gz IVSHECYFHGNJQD-UHFFFAOYSA-N 0 0 163.220 2.049 10 30 AEEERN COC1=C2CCC[C@@]2(C)C=CC1=O 238386965 573395252 /nfs/dbraw/zinc/39/52/52/573395252.db2.gz JAAFPQZQZJRZFV-NSHDSACASA-N 0 0 178.231 2.216 10 30 AEEERN COc1c(C)cc(CC=O)cc1C 107166380 573395321 /nfs/dbraw/zinc/39/53/21/573395321.db2.gz MIVLQAPNYXVAEU-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN CO[C@@H](C=O)c1cc(C)ccc1C 107166368 573395553 /nfs/dbraw/zinc/39/55/53/573395553.db2.gz PASKCQFUBLNPRF-NSHDSACASA-N 0 0 178.231 2.190 10 30 AEEERN N#Cc1ccc(CCC(F)(F)F)[nH]1 259611190 573395569 /nfs/dbraw/zinc/39/55/69/573395569.db2.gz FZXXZHVWCWMOPQ-UHFFFAOYSA-N 0 0 188.152 2.381 10 30 AEEERN C=C(C)[C@@H](SC)[C@@H](O)/C=C/C 238386534 573395575 /nfs/dbraw/zinc/39/55/75/573395575.db2.gz WGIYJRMFXRXWLU-VFPASMGPSA-N 0 0 172.293 2.231 10 30 AEEERN Cc1c(CC#N)[nH]c2ccc(N)cc12 259611204 573395609 /nfs/dbraw/zinc/39/56/09/573395609.db2.gz GAYGENDMPNPXJH-UHFFFAOYSA-N 0 0 185.230 2.125 10 30 AEEERN Cc1ccc2c(c1)[C@@H]1N[C@@H](C#N)C[C@H]1C2 259436686 573395645 /nfs/dbraw/zinc/39/56/45/573395645.db2.gz AKUBNDAUCUAXFZ-NQBHXWOUSA-N 0 0 198.269 2.094 10 30 AEEERN C=CCC1=C[C@H]2C(=O)C[C@H]2C1 224096719 573395666 /nfs/dbraw/zinc/39/56/66/573395666.db2.gz YJPQQOKDTNRLHZ-RKDXNWHRSA-N 0 0 148.205 2.098 10 30 AEEERN COc1c(C)cccc1[C@@H](C)C=O 107166458 573395703 /nfs/dbraw/zinc/39/57/03/573395703.db2.gz VXULKPXSITWBSO-VIFPVBQESA-N 0 0 178.231 2.306 10 30 AEEERN COc1cccc(SC)c1CC#N 238386516 573395890 /nfs/dbraw/zinc/39/58/90/573395890.db2.gz VRNXEVUNSXFAJS-UHFFFAOYSA-N 0 0 193.271 2.483 10 30 AEEERN N#Cc1cc(=O)cc(C2CCCC2)[nH]1 259611160 573395900 /nfs/dbraw/zinc/39/59/00/573395900.db2.gz FYFPLTJYDWRRDE-UHFFFAOYSA-N 0 0 188.230 2.316 10 30 AEEERN CC[C@H](C#N)NOCc1ccccc1 83116140 573401176 /nfs/dbraw/zinc/40/11/76/573401176.db2.gz QCWLLZQHKJYEMY-LLVKDONJSA-N 0 0 190.246 2.010 10 30 AEEERN COc1c(F)cccc1[C@H](C)C=O 107170397 573401182 /nfs/dbraw/zinc/40/11/82/573401182.db2.gz OVZWPMDBXDTFDF-SSDOTTSWSA-N 0 0 182.194 2.137 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@@]2(C)[C@@H]1C 238387954 573401216 /nfs/dbraw/zinc/40/12/16/573401216.db2.gz JPQXIQGSEJVZNU-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN COC1=CC(=O)[C@@H]2CC=CC[C@H]2C1 238387384 573401222 /nfs/dbraw/zinc/40/12/22/573401222.db2.gz OTDFXRJNHCJVHQ-WCBMZHEXSA-N 0 0 178.231 2.072 10 30 AEEERN CC1=CC(=O)[C@H]([C@@H](C)CC#N)CC1 238387960 573401244 /nfs/dbraw/zinc/40/12/44/573401244.db2.gz VSDOPTHOCKZIPB-UWVGGRQHSA-N 0 0 177.247 2.462 10 30 AEEERN CC1=CC[C@H]([C@@H](C)CC#N)C(=O)C1 238388159 573401401 /nfs/dbraw/zinc/40/14/01/573401401.db2.gz DSKSEICVJTVYKH-VHSXEESVSA-N 0 0 177.247 2.462 10 30 AEEERN Cc1cn(CC=O)c2cccc(F)c12 107176338 573401472 /nfs/dbraw/zinc/40/14/72/573401472.db2.gz QEJILPZYIXIPML-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN COc1ccncc1N=[N+]=[N-] 238387158 573401524 /nfs/dbraw/zinc/40/15/24/573401524.db2.gz NMMIWVAAWMRWQU-UHFFFAOYSA-N 0 0 150.141 2.032 10 30 AEEERN CS[C@@H]1CCCC[C@@H]1C=O 238387561 573401560 /nfs/dbraw/zinc/40/15/60/573401560.db2.gz WMOZVAVVFAMRLF-HTQZYQBOSA-N 0 0 158.266 2.107 10 30 AEEERN C=CCCCNOC(C)(C)C 133440668 573401603 /nfs/dbraw/zinc/40/16/03/573401603.db2.gz RMZWZVFYFRIPKD-UHFFFAOYSA-N 0 0 157.257 2.272 10 30 AEEERN C/C(=N\O)c1ccc2c(c1)CCCO2 118412621 573401651 /nfs/dbraw/zinc/40/16/51/573401651.db2.gz QYQPYCXRMUWDCN-XYOKQWHBSA-N 0 0 191.230 2.210 10 30 AEEERN CC1=CC[C@@H]([C@@H](C)CC#N)C(=O)C1 238387941 573401660 /nfs/dbraw/zinc/40/16/60/573401660.db2.gz DSKSEICVJTVYKH-UWVGGRQHSA-N 0 0 177.247 2.462 10 30 AEEERN C#C[C@@H](O)CC/C=C/c1ccccc1 238658092 573402729 /nfs/dbraw/zinc/40/27/29/573402729.db2.gz AVFDLLURDMKCKG-BCRSCGJKSA-N 0 0 186.254 2.474 10 30 AEEERN C[C@@H](CC#N)[C@H]1CCCCC1=O 238388210 573402799 /nfs/dbraw/zinc/40/27/99/573402799.db2.gz GUTKARKYKFZADS-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN N#Cc1cccc([C@@H](O)CC2CC2)c1 135623521 573402806 /nfs/dbraw/zinc/40/28/06/573402806.db2.gz FQHALXXDERZEMY-LBPRGKRZSA-N 0 0 187.242 2.392 10 30 AEEERN C=CCC1=C[C@@H]2C(=O)C[C@H]2C1 224096770 573402920 /nfs/dbraw/zinc/40/29/20/573402920.db2.gz YJPQQOKDTNRLHZ-BDAKNGLRSA-N 0 0 148.205 2.098 10 30 AEEERN Cc1ccn(-c2ccc(C#N)cc2C)n1 52884186 573403030 /nfs/dbraw/zinc/40/30/30/573403030.db2.gz KGKHUVMHHYVIBS-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CS[C@@H]1CCC=CC(=O)C1 238387347 573403044 /nfs/dbraw/zinc/40/30/44/573403044.db2.gz OERJYYRTUYYNFF-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN COC1=CC2(C=CC1=O)CCCC2 238387962 573403527 /nfs/dbraw/zinc/40/35/27/573403527.db2.gz FCRTWCNCLOTOJB-UHFFFAOYSA-N 0 0 178.231 2.216 10 30 AEEERN CC[C@@H](C#N)NOCc1ccccc1 83116139 573403625 /nfs/dbraw/zinc/40/36/25/573403625.db2.gz QCWLLZQHKJYEMY-NSHDSACASA-N 0 0 190.246 2.010 10 30 AEEERN CC(C)=CC(=O)[C@H]1C[C@H]1C 118422549 573404110 /nfs/dbraw/zinc/40/41/10/573404110.db2.gz SQFWSXFWJLWKMH-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC(=O)[C@@H]([C@@H](C)CC#N)CC1 238388177 573404150 /nfs/dbraw/zinc/40/41/50/573404150.db2.gz VSDOPTHOCKZIPB-VHSXEESVSA-N 0 0 177.247 2.462 10 30 AEEERN COC1=CC(=O)[C@H]2CC=CC[C@H]2C1 238387682 573404276 /nfs/dbraw/zinc/40/42/76/573404276.db2.gz OTDFXRJNHCJVHQ-WPRPVWTQSA-N 0 0 178.231 2.072 10 30 AEEERN C=C[C@@H](C)n1cc(C(C)=O)nc1CC 308574513 573404363 /nfs/dbraw/zinc/40/43/63/573404363.db2.gz GOQBDEZVPOVUKH-MRVPVSSYSA-N 0 0 192.262 2.395 10 30 AEEERN CCO[C@](C)(CC=O)CC(F)(F)F 257810557 573404438 /nfs/dbraw/zinc/40/44/38/573404438.db2.gz ALYLWPJUVCTKAX-SSDOTTSWSA-N 0 0 198.184 2.323 10 30 AEEERN CCO[C@@](C)(CC=O)CC(F)(F)F 257810558 573404519 /nfs/dbraw/zinc/40/45/19/573404519.db2.gz ALYLWPJUVCTKAX-ZETCQYMHSA-N 0 0 198.184 2.323 10 30 AEEERN N#Cc1ccc(NCCCS)cc1 258646826 573404938 /nfs/dbraw/zinc/40/49/38/573404938.db2.gz MFKMXJIXNCHDNJ-UHFFFAOYSA-N 0 0 192.287 2.290 10 30 AEEERN C[C@@H](CS)Nc1ccccc1 238389657 573404983 /nfs/dbraw/zinc/40/49/83/573404983.db2.gz CESBWYIQHXRBHN-QMMMGPOBSA-N 0 0 167.277 2.417 10 30 AEEERN C[C@@H](C=O)[C@H](O)c1ccccc1Cl 238380711 573405028 /nfs/dbraw/zinc/40/50/28/573405028.db2.gz NTIVHOCOLKVMOQ-XVKPBYJWSA-N 0 0 198.649 2.208 10 30 AEEERN N#CCc1ccc(O)c2ccoc12 118478855 573405137 /nfs/dbraw/zinc/40/51/37/573405137.db2.gz DOGVQWCCZVXLON-UHFFFAOYSA-N 0 0 173.171 2.204 10 30 AEEERN O=C[C@H](F)CC1CCSCC1 257810975 573405179 /nfs/dbraw/zinc/40/51/79/573405179.db2.gz AUGLFZBUCFMJEP-MRVPVSSYSA-N 0 0 176.256 2.057 10 30 AEEERN C[C@@H](CC(=O)C#N)c1ccccc1 238388923 573405609 /nfs/dbraw/zinc/40/56/09/573405609.db2.gz MLWYNPPBFXVCBI-VIFPVBQESA-N 0 0 173.215 2.273 10 30 AEEERN N#CCc1cc(O)cc2ccoc12 118479515 573405732 /nfs/dbraw/zinc/40/57/32/573405732.db2.gz MSLZUTNGGIKSJZ-UHFFFAOYSA-N 0 0 173.171 2.204 10 30 AEEERN Cn1c(CC#N)ccc1-c1cccnc1 259610835 573405823 /nfs/dbraw/zinc/40/58/23/573405823.db2.gz GSBVGQLHJMLVAQ-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN C=CC[C@@H](C)c1nccn1C 715795992 573406151 /nfs/dbraw/zinc/40/61/51/573406151.db2.gz LQQFRXLYZWBTCN-MRVPVSSYSA-N 0 0 150.225 2.100 10 30 AEEERN CCC(O)(CC)C[C@](C)(C#N)C(C)=O 308575273 573407810 /nfs/dbraw/zinc/40/78/10/573407810.db2.gz HBKJPBAYOYRFSF-SNVBAGLBSA-N 0 0 197.278 2.046 10 30 AEEERN CCCCCCC[C@@H]1O[C@]1(C)CO 214890743 573407815 /nfs/dbraw/zinc/40/78/15/573407815.db2.gz BNJUAUMQLGWDAT-WDEREUQCSA-N 0 0 186.295 2.497 10 30 AEEERN CCCCCCC[C@H]1O[C@@]1(C)CO 214890786 573407855 /nfs/dbraw/zinc/40/78/55/573407855.db2.gz BNJUAUMQLGWDAT-MNOVXSKESA-N 0 0 186.295 2.497 10 30 AEEERN COc1cc(C)c([C@@H]2CO2)c(OC)c1 259098825 573407880 /nfs/dbraw/zinc/40/78/80/573407880.db2.gz CFGNNQLJRJVYGR-JTQLQIEISA-N 0 0 194.230 2.084 10 30 AEEERN CCCCCCC[C@@H]1O[C@@]1(C)CO 214890824 573407931 /nfs/dbraw/zinc/40/79/31/573407931.db2.gz BNJUAUMQLGWDAT-QWRGUYRKSA-N 0 0 186.295 2.497 10 30 AEEERN CC#C[C@H](O)/C=C/c1ccccc1 34115552 573407938 /nfs/dbraw/zinc/40/79/38/573407938.db2.gz NWKICEGCJJPHGT-VMPCVLLUSA-N 0 0 172.227 2.084 10 30 AEEERN CC(C=O)(C(F)(F)F)C(F)(F)F 118519700 573407987 /nfs/dbraw/zinc/40/79/87/573407987.db2.gz NSJFBSLIUHKCSQ-UHFFFAOYSA-N 0 0 194.074 2.316 10 30 AEEERN COc1cccc(O)c1C(C)(C)C#N 238381381 573412001 /nfs/dbraw/zinc/41/20/01/573412001.db2.gz AKFXANLPTHXKNI-UHFFFAOYSA-N 0 0 191.230 2.202 10 30 AEEERN Cc1cc(CC(C)C)nc(CC#N)n1 259097430 573412103 /nfs/dbraw/zinc/41/21/03/573412103.db2.gz NNVRVKSFAPODFR-UHFFFAOYSA-N 0 0 189.262 2.050 10 30 AEEERN C[C@@H](C#N)[C@H](F)C(F)(F)F 258646721 573412194 /nfs/dbraw/zinc/41/21/94/573412194.db2.gz ZDAXCPVOHCTAIA-IMJSIDKUSA-N 0 0 155.094 2.046 10 30 AEEERN CCN(CC=C1CCC1)CCC#N 308385674 573412299 /nfs/dbraw/zinc/41/22/99/573412299.db2.gz WWUQURBAGIPEFZ-UHFFFAOYSA-N 0 0 178.279 2.332 10 30 AEEERN C=CC(=C)[C@@H](O)c1ccccc1OC 308577291 573412380 /nfs/dbraw/zinc/41/23/80/573412380.db2.gz IEFPYDPOHWXMHG-GFCCVEGCSA-N 0 0 190.242 2.471 10 30 AEEERN N#CC1(c2ccncc2)CCCC1 83119939 573414912 /nfs/dbraw/zinc/41/49/12/573414912.db2.gz KMHFFMVTCAGEST-UHFFFAOYSA-N 0 0 172.231 2.417 10 30 AEEERN C=CC[C@H](C)[C@](C)(C#N)C(C)=O 715799455 573416237 /nfs/dbraw/zinc/41/62/37/573416237.db2.gz NFUNAVREYAWUNM-WPRPVWTQSA-N 0 0 165.236 2.317 10 30 AEEERN C[C@@H]1Cc2ccc(CCC=O)cc2O1 258019091 573416258 /nfs/dbraw/zinc/41/62/58/573416258.db2.gz HZPOLRHAHMEVSB-SECBINFHSA-N 0 0 190.242 2.142 10 30 AEEERN C[C@H](C#N)[C@H](F)C(F)(F)F 258646715 573416270 /nfs/dbraw/zinc/41/62/70/573416270.db2.gz ZDAXCPVOHCTAIA-DMTCNVIQSA-N 0 0 155.094 2.046 10 30 AEEERN C=C[C@@H](C#N)OC(=O)CCCCC 308388163 573416317 /nfs/dbraw/zinc/41/63/17/573416317.db2.gz YHBAIDNKHBTDCP-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN CC(C)[C@H](C#N)Cc1ccc[nH]1 259444186 573418642 /nfs/dbraw/zinc/41/86/42/573418642.db2.gz QCHNBDNTUXZDNR-VIFPVBQESA-N 0 0 162.236 2.353 10 30 AEEERN C=C(CC=O)Cc1ccc(OC)cc1 258338844 573418801 /nfs/dbraw/zinc/41/88/01/573418801.db2.gz XQLNILHRFNJJLZ-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN C#CC[C@H](C)[C@@H](O)C(C)(C)C 238383798 573418962 /nfs/dbraw/zinc/41/89/62/573418962.db2.gz DRNGMHQJOXJQHE-DTWKUNHWSA-N 0 0 154.253 2.053 10 30 AEEERN Cc1cc(C)c(C)c([C@H](N)C=O)c1C 259444255 573419095 /nfs/dbraw/zinc/41/90/95/573419095.db2.gz QCOSPOKGGIWCSS-LLVKDONJSA-N 0 0 191.274 2.119 10 30 AEEERN Cn1c(C#N)cc2sccc21 259444786 573418613 /nfs/dbraw/zinc/41/86/13/573418613.db2.gz KIGAMIAUVYTNFC-UHFFFAOYSA-N 0 0 162.217 2.111 10 30 AEEERN Cc1cnn(-c2ccc(CC#N)cc2)c1 214887071 573423122 /nfs/dbraw/zinc/42/31/22/573423122.db2.gz CYNKUKLICWMAGA-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN Cc1cnn(-c2cccc(CC#N)c2)c1 214887143 573423195 /nfs/dbraw/zinc/42/31/95/573423195.db2.gz JHYCXVICTJNPAQ-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN CCc1ccnn1-c1ccccc1C#N 214886100 573423320 /nfs/dbraw/zinc/42/33/20/573423320.db2.gz KANNCQSOJXPDST-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN N#CCc1csc(C2CCC2)n1 83136667 573423553 /nfs/dbraw/zinc/42/35/53/573423553.db2.gz MWKINWOIFOALCI-UHFFFAOYSA-N 0 0 178.260 2.477 10 30 AEEERN C=C[C@H]1CC(=O)[C@@H](C)C1(C)C 238390934 573423588 /nfs/dbraw/zinc/42/35/88/573423588.db2.gz PWQIIXUBLKLIDF-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H]1C(=O)C[C@@H](CC#N)C1(C)C 238390566 573423629 /nfs/dbraw/zinc/42/36/29/573423629.db2.gz AWEMCWLDQTVADF-HTQZYQBOSA-N 0 0 165.236 2.151 10 30 AEEERN C#CC(=C)C[C@H](O)c1ccccc1 34187312 573423655 /nfs/dbraw/zinc/42/36/55/573423655.db2.gz LGXFHORVSNGAPV-LBPRGKRZSA-N 0 0 172.227 2.300 10 30 AEEERN COc1cc(CC#N)nc(C(F)F)c1 238392761 573429747 /nfs/dbraw/zinc/42/97/47/573429747.db2.gz GLYKWSFZQDPAMR-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN N#Cc1cc(N2CC=CC2)ccc1F 118879212 573436241 /nfs/dbraw/zinc/43/62/41/573436241.db2.gz DIJPFXCLNCZPLH-UHFFFAOYSA-N 0 0 188.205 2.074 10 30 AEEERN COc1c(O)cccc1[C@H](C)CC=O 258021549 573436491 /nfs/dbraw/zinc/43/64/91/573436491.db2.gz IEQUBFLXLYWVIU-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN C=C1C[C@@H](O)c2cccc(OC)c21 144280446 573436533 /nfs/dbraw/zinc/43/65/33/573436533.db2.gz AYWUHLSCSVAEIX-SECBINFHSA-N 0 0 176.215 2.146 10 30 AEEERN N#CC1(C(=O)c2ccccc2F)CC1 259103082 573436844 /nfs/dbraw/zinc/43/68/44/573436844.db2.gz HDRYFOJGMONCFO-UHFFFAOYSA-N 0 0 189.189 2.312 10 30 AEEERN CN(c1ncc(C#N)s1)C1CCC1 258651972 573437153 /nfs/dbraw/zinc/43/71/53/573437153.db2.gz GQLWNJDHDXFWNF-UHFFFAOYSA-N 0 0 193.275 2.003 10 30 AEEERN CCCCCC[C@@](C)(O)C#C[C@H](C)O 238215945 573437259 /nfs/dbraw/zinc/43/72/59/573437259.db2.gz PGFFHVWQYQJYGP-NWDGAFQWSA-N 0 0 198.306 2.092 10 30 AEEERN CCOc1ccc(C(=O)C=CO)cc1 138038288 573440276 /nfs/dbraw/zinc/44/02/76/573440276.db2.gz RUDFSCTUJVYOJL-FPLPWBNLSA-N 0 0 192.214 2.340 10 30 AEEERN C=C(C)C#CC(=O)c1ccccc1 34479267 573440310 /nfs/dbraw/zinc/44/03/10/573440310.db2.gz YUKOSCZNCWZWJG-UHFFFAOYSA-N 0 0 170.211 2.449 10 30 AEEERN CCCCC[C@@H](CC=O)C(C)=O 137805817 573440340 /nfs/dbraw/zinc/44/03/40/573440340.db2.gz BMGJNRYEOPZWHH-JTQLQIEISA-N 0 0 170.252 2.361 10 30 in-vitro AEEERN CC1=CC(=O)[C@@](C)(Cl)[C@@H]1C 238395764 573440392 /nfs/dbraw/zinc/44/03/92/573440392.db2.gz CUCKNWKPBSJSNA-SVRRBLITSA-N 0 0 158.628 2.149 10 30 AEEERN C=C1C[C@@]2(C)C=C[C@@H]1[C@H](C)C2=O 34479018 573440396 /nfs/dbraw/zinc/44/03/96/573440396.db2.gz MACYERFDHDXGNP-ATZCPNFKSA-N 0 0 162.232 2.344 10 30 AEEERN C=C1CC(=O)c2cccc(OC)c21 238396164 573440412 /nfs/dbraw/zinc/44/04/12/573440412.db2.gz JMHQDUFOHOKBJV-UHFFFAOYSA-N 0 0 174.199 2.295 10 30 AEEERN C=CC[C@@H]1C[C@H](CC#N)CC1=O 144259130 573440428 /nfs/dbraw/zinc/44/04/28/573440428.db2.gz QCZGPYJKBAUPOZ-DTWKUNHWSA-N 0 0 163.220 2.071 10 30 AEEERN CC1=CC(=O)[C@](C)(Cl)[C@@H]1C 238395783 573440435 /nfs/dbraw/zinc/44/04/35/573440435.db2.gz CUCKNWKPBSJSNA-HTRCEHHLSA-N 0 0 158.628 2.149 10 30 AEEERN C[C@@H]1Cc2ccc(CC=O)cc2S1 258031530 573440450 /nfs/dbraw/zinc/44/04/50/573440450.db2.gz KBVCBLLQDBITID-MRVPVSSYSA-N 0 0 192.283 2.465 10 30 AEEERN C=C=CC(=O)CCCCC 34448220 573440769 /nfs/dbraw/zinc/44/07/69/573440769.db2.gz QCWNCIVQOXCOMG-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN SCCc1cc2ccccc2nn1 259451704 573443087 /nfs/dbraw/zinc/44/30/87/573443087.db2.gz KOBDZJUYQKEHJF-UHFFFAOYSA-N 0 0 190.271 2.102 10 30 AEEERN C=C1C(=O)C2(C)[C@H](C)C1(C)[C@H]2C 238397432 573443159 /nfs/dbraw/zinc/44/31/59/573443159.db2.gz BMKHKXPWXGIJFB-YJTAMFCSSA-N 0 0 164.248 2.424 10 30 AEEERN Cc1cc(O)c(CCC=O)cc1C 258037669 573443214 /nfs/dbraw/zinc/44/32/14/573443214.db2.gz PUIFMPABZXMFPE-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN COCC#Cc1cccc(Cl)c1 238396685 573443315 /nfs/dbraw/zinc/44/33/15/573443315.db2.gz WSPGZJIRWPUVOR-UHFFFAOYSA-N 0 0 180.634 2.338 10 30 AEEERN Cc1cc(C#N)c(N(C)C)cc1C 259450674 573443356 /nfs/dbraw/zinc/44/33/56/573443356.db2.gz PSTYDPOHDIVZFB-UHFFFAOYSA-N 0 0 174.247 2.241 10 30 AEEERN CC(=O)C=C(C)N[C@H](CO)CC(C)C 308586870 573443365 /nfs/dbraw/zinc/44/33/65/573443365.db2.gz MRBYVUXNKCKPFZ-WMNRVRHASA-N 0 0 199.294 2.316 10 30 AEEERN C#C[C@H](O)/C(C)=C\[C@H]1CC=CCC1 142596527 573443425 /nfs/dbraw/zinc/44/34/25/573443425.db2.gz PLEQSXZLIAIEPF-XJNROGLQSA-N 0 0 176.259 2.283 10 30 AEEERN CC[C@@H]1CC/C(=N\OC)C1 144235476 573443443 /nfs/dbraw/zinc/44/34/43/573443443.db2.gz UHSRMWCJEMKBBS-BDGYDECCSA-N 0 0 141.214 2.199 10 30 AEEERN C[C@@H]1CC2=C(C=CC=CC2)C1=O 238396517 573443596 /nfs/dbraw/zinc/44/35/96/573443596.db2.gz CWGPNNWFOAXPPU-MRVPVSSYSA-N 0 0 160.216 2.408 10 30 AEEERN O=C[C@H](F)c1ccc2c(c1)OCCC2 257813580 573443597 /nfs/dbraw/zinc/44/35/97/573443597.db2.gz CERRUJUVDRFRTH-JTQLQIEISA-N 0 0 194.205 2.221 10 30 AEEERN C=C1C[C@H](O)C(C)=C1CC 34549316 573445750 /nfs/dbraw/zinc/44/57/50/573445750.db2.gz DJPIWWBIZYSPEH-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN CSC#C[C@H](O)c1cccs1 238399186 573445883 /nfs/dbraw/zinc/44/58/83/573445883.db2.gz UWSDQNDAFPQECW-ZETCQYMHSA-N 0 0 184.285 2.105 10 30 AEEERN CC(=O)C=C(C)N[C@@H](CO)CC(C)C 308586867 573445956 /nfs/dbraw/zinc/44/59/56/573445956.db2.gz MRBYVUXNKCKPFZ-MSCJOLSCSA-N 0 0 199.294 2.316 10 30 AEEERN CCCCCC#C[C@@H](O)CC 34588741 573446025 /nfs/dbraw/zinc/44/60/25/573446025.db2.gz HYBLPADCLSDUNC-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C=CC[C@H](O)/C(C)=C/c1ccccn1 308586099 573446159 /nfs/dbraw/zinc/44/61/59/573446159.db2.gz MIUKPWFJBWUKQH-VMPCVLLUSA-N 0 0 189.258 2.422 10 30 AEEERN C=C1CC(NC(=O)c2ccccc2)C1 34568117 573451814 /nfs/dbraw/zinc/45/18/14/573451814.db2.gz LTENIFVIWFXWDX-UHFFFAOYSA-N 0 0 187.242 2.135 10 30 AEEERN CO[C@@H](C=O)CCc1ccc(C)cc1 257817215 573452015 /nfs/dbraw/zinc/45/20/15/573452015.db2.gz DRNDMLFQZWMVKU-GFCCVEGCSA-N 0 0 192.258 2.142 10 30 AEEERN C#CCCNc1nc2ccccc2n1C 70609130 571687186 /nfs/dbraw/zinc/68/71/86/571687186.db2.gz RKTRXUKWRPVQTR-UHFFFAOYSA-N 0 0 199.257 2.009 10 30 AEEERN C=C(C)[C@@]1(c2ccccc2)CO1 138784630 571716060 /nfs/dbraw/zinc/71/60/60/571716060.db2.gz JAGMQTOKDRIOCG-LLVKDONJSA-N 0 0 160.216 2.488 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc(F)c(F)c1 259452516 573454520 /nfs/dbraw/zinc/45/45/20/573454520.db2.gz WENJLXPQJZFCPX-SSDLBLMSSA-N 0 0 170.158 2.425 10 30 AEEERN C=C(CCO)C[C@@H]1CCCS1 258353748 573454603 /nfs/dbraw/zinc/45/46/03/573454603.db2.gz YRLSSZKEZZSIFB-VIFPVBQESA-N 0 0 172.293 2.211 10 30 AEEERN C=C(C)[C@H]1CC(=O)[C@H](C)C1 238416393 573454607 /nfs/dbraw/zinc/45/46/07/573454607.db2.gz FTOPGSOAFSXJRQ-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(CCO)[C@@H]1CCCCS1 258359224 573454722 /nfs/dbraw/zinc/45/47/22/573454722.db2.gz ZBZRYKPXPZLJAF-VIFPVBQESA-N 0 0 172.293 2.211 10 30 AEEERN C[C@@H](CC#N)N[C@H](C)c1nccs1 70621553 571697278 /nfs/dbraw/zinc/69/72/78/571697278.db2.gz OSNZDMIHWGWOPX-JGVFFNPUSA-N 0 0 195.291 2.096 10 30 AEEERN CCc1cccc2c(N)ncc(C#N)c12 214027134 571704206 /nfs/dbraw/zinc/70/42/06/571704206.db2.gz ZBZGPBDSFGVFEY-UHFFFAOYSA-N 0 0 197.241 2.251 10 30 AEEERN N#CCCc1coc2ncccc12 214027102 571704348 /nfs/dbraw/zinc/70/43/48/571704348.db2.gz IYSFLUINOOAEHC-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN CC[C@@H](CC#N)Oc1ccc(N)cc1 38055860 571707208 /nfs/dbraw/zinc/70/72/08/571707208.db2.gz PIHBULHOQZQSBE-JTQLQIEISA-N 0 0 190.246 2.340 10 30 AEEERN CCCCC#C[C@H](O)CCC 34599069 573454783 /nfs/dbraw/zinc/45/47/83/573454783.db2.gz SMLGMJAHWDEZJA-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN O=C1C=C[C@]2(CC=CCC2)C1 224123825 573454784 /nfs/dbraw/zinc/45/47/84/573454784.db2.gz IDRQHENVNBVGPV-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN COc1nc2c(C)cccc2cc1C#N 11727640 571711460 /nfs/dbraw/zinc/71/14/60/571711460.db2.gz BDWPMTFFAHOMJG-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CC[C@H](C)N[C@@](C)(C#N)C(C)C 38064235 571711462 /nfs/dbraw/zinc/71/14/62/571711462.db2.gz UNRRMQGENWJBFQ-UWVGGRQHSA-N 0 0 168.284 2.313 10 30 AEEERN CC[C@H](C#N)C(C)(F)F 257817591 573454821 /nfs/dbraw/zinc/45/48/21/573454821.db2.gz CIYWROQQPSVEGC-RXMQYKEDSA-N 0 0 133.141 2.191 10 30 AEEERN C=C[C@H](O)[C@H]1O[C@]1(C)CCC=C(C)C 308590154 573454824 /nfs/dbraw/zinc/45/48/24/573454824.db2.gz OHWDSSKFXFHCMV-QJPTWQEYSA-N 0 0 196.290 2.437 10 30 AEEERN CCc1cc(CC#N)cc(OC)c1 214108466 571716879 /nfs/dbraw/zinc/71/68/79/571716879.db2.gz UPKZTFKPWIOYAE-UHFFFAOYSA-N 0 0 175.231 2.324 10 30 AEEERN CCCN[C@]1(C#N)CC[C@H](CC)C1 70644558 571716927 /nfs/dbraw/zinc/71/69/27/571716927.db2.gz AASVPGHEUBWGEL-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN N#CCc1cccc2c1CCS2 214117268 571716949 /nfs/dbraw/zinc/71/69/49/571716949.db2.gz FEBYXNDSVVZCOI-UHFFFAOYSA-N 0 0 175.256 2.401 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc(F)c(F)c1 259452507 573455297 /nfs/dbraw/zinc/45/52/97/573455297.db2.gz WENJLXPQJZFCPX-ANLVUFKYSA-N 0 0 170.158 2.425 10 30 AEEERN CCC[C@H](C)C(=O)N(CC#N)C(C)C 70714900 571745709 /nfs/dbraw/zinc/74/57/09/571745709.db2.gz UVWDEJAPUHPREC-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN Cc1cccc(C)c1C#CCCO 220638443 571745728 /nfs/dbraw/zinc/74/57/28/571745728.db2.gz ADIHKHQZRSTQFH-UHFFFAOYSA-N 0 0 174.243 2.037 10 30 AEEERN C#CCCn1ccc2c(CO)cccc21 70735408 571745737 /nfs/dbraw/zinc/74/57/37/571745737.db2.gz RLOJXIPKJGTGHC-UHFFFAOYSA-N 0 0 199.253 2.157 10 30 AEEERN Cc1ccc(O)c(CC#N)c1Cl 214291040 571745760 /nfs/dbraw/zinc/74/57/60/571745760.db2.gz FTUAMYMIQCFMBU-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN CC(C)N(CC#N)Cc1ccsc1 70715059 571745787 /nfs/dbraw/zinc/74/57/87/571745787.db2.gz HBCGMWXQLMJMOY-UHFFFAOYSA-N 0 0 194.303 2.482 10 30 AEEERN C=C[C@H](O)[C@@H]1O[C@]1(C)CCC=C(C)C 308590155 573455366 /nfs/dbraw/zinc/45/53/66/573455366.db2.gz OHWDSSKFXFHCMV-SDDRHHMPSA-N 0 0 196.290 2.437 10 30 AEEERN C=C1C(=O)[C@@H]2CC[C@H]1C2(C)C 39250794 571916718 /nfs/dbraw/zinc/91/67/18/571916718.db2.gz KDWGBAOETSUSRM-SFYZADRCSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)=C1CS[C@H](C)C1=O 39256685 571916748 /nfs/dbraw/zinc/91/67/48/571916748.db2.gz HCMYQNLSWIYMCV-ZCFIWIBFSA-N 0 0 156.250 2.027 10 30 AEEERN Cc1ncc2c(C3CC3)oc(C#N)c2n1 259453903 573456869 /nfs/dbraw/zinc/45/68/69/573456869.db2.gz WUMVGCVQJRKELC-UHFFFAOYSA-N 0 0 199.213 2.280 10 30 AEEERN C[C@H]1O[C@H]1c1ccc(F)c(F)c1 259452513 573456898 /nfs/dbraw/zinc/45/68/98/573456898.db2.gz WENJLXPQJZFCPX-MLUIRONXSA-N 0 0 170.158 2.425 10 30 AEEERN O=C1CCCCCC[C@H]1S 142673366 573456946 /nfs/dbraw/zinc/45/69/46/573456946.db2.gz BIWXZNKFXKLPQJ-MRVPVSSYSA-N 0 0 158.266 2.208 10 30 AEEERN CC(C)O[C@H](C)C(C)(C)C#N 17705565 571763716 /nfs/dbraw/zinc/76/37/16/571763716.db2.gz UMIFXZLFDQPMRB-MRVPVSSYSA-N 0 0 155.241 2.350 10 30 AEEERN [O-]/N=C(\Cl)c1ncccc1Cl 142580379 573456984 /nfs/dbraw/zinc/45/69/84/573456984.db2.gz AFLVFPRLICEYOP-POHAHGRESA-N 0 0 191.017 2.110 10 30 AEEERN CCCCCCCC(=O)[C@H](C)O 78447267 573457029 /nfs/dbraw/zinc/45/70/29/573457029.db2.gz WDQKPFOXMDAVIN-VIFPVBQESA-N 0 0 172.268 2.297 10 30 AEEERN CO[C@H](CC=O)c1cccc(C)c1 257817870 573457094 /nfs/dbraw/zinc/45/70/94/573457094.db2.gz DUPXXLBXGQDHLG-LLVKDONJSA-N 0 0 178.231 2.272 10 30 AEEERN C=C(C)[C@@H]1CC=C(C)[C@@H](NC(C)=O)C1 36466870 571909138 /nfs/dbraw/zinc/90/91/38/571909138.db2.gz GLOVOGSNFFJSQI-NEPJUHHUSA-N 0 0 193.290 2.424 10 30 AEEERN C#Cc1ccccc1[C@@H](O)CC 36458754 571909197 /nfs/dbraw/zinc/90/91/97/571909197.db2.gz OSTOJXFOFRPZKJ-NSHDSACASA-N 0 0 160.216 2.111 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@H]1C 36455610 571909220 /nfs/dbraw/zinc/90/92/20/571909220.db2.gz SSOMEMHVUMAMMW-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(/C=C/CC=O)o1 687677945 571910336 /nfs/dbraw/zinc/91/03/36/571910336.db2.gz MUQQYHTUBHJGPW-DUXPYHPUSA-N 0 0 150.177 2.190 10 30 AEEERN O=[N+]([O-])c1ccccc1N=NCCl 687728532 571910356 /nfs/dbraw/zinc/91/03/56/571910356.db2.gz JKJWUAHYRJZXIM-UHFFFAOYSA-N 0 0 199.597 2.189 10 30 AEEERN CC(C)(C)C1=CCCC1=O 39235133 571912516 /nfs/dbraw/zinc/91/25/16/571912516.db2.gz NPMKABDIXZAVIK-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)O/C=C1\CCCCC1=O 39218973 571912536 /nfs/dbraw/zinc/91/25/36/571912536.db2.gz FAPWCLNNNXMVRO-VQHVLOKHSA-N 0 0 168.236 2.438 10 30 AEEERN CC(=O)C1=C(C)OC(C)(C)C=C1 39238399 571912558 /nfs/dbraw/zinc/91/25/58/571912558.db2.gz BGYVCZHKJVUVFF-UHFFFAOYSA-N 0 0 166.220 2.214 10 30 AEEERN CCCC[C@@H]1CC=CC1=O 39235448 571912572 /nfs/dbraw/zinc/91/25/72/571912572.db2.gz TZIXJRCVLIIIEA-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN O=CC/C=C/C[C@H]1CCCS1 687679281 571916712 /nfs/dbraw/zinc/91/67/12/571916712.db2.gz JGFGSIRNZPRZQD-VWCDRPFISA-N 0 0 170.277 2.417 10 30 AEEERN C#C[C@H](Nc1cccc(C)n1)C(C)C 300829779 571943279 /nfs/dbraw/zinc/94/32/79/571943279.db2.gz BXCDOFNITAWWFP-NSHDSACASA-N 0 0 188.274 2.460 10 30 AEEERN N#C[C@@H](CO)CCC1CCCCC1 300805866 571943300 /nfs/dbraw/zinc/94/33/00/571943300.db2.gz WKLZKXSQNIRYPW-NSHDSACASA-N 0 0 181.279 2.479 10 30 AEEERN Cc1cc([C@@H](N)CC#N)cc(C)c1F 211790175 573459345 /nfs/dbraw/zinc/45/93/45/573459345.db2.gz ZQJDQIWRYDKUOQ-JTQLQIEISA-N 0 0 192.237 2.356 10 30 AEEERN C=C(/C=C(/C)[C@H](O)CC)C[C@H](C)CO 308591805 573459392 /nfs/dbraw/zinc/45/93/92/573459392.db2.gz PIFZQPXYDHOAFT-HTBOAFLOSA-N 0 0 198.306 2.278 10 30 AEEERN O=CC/C=C/[C@@H]1CCCCS1 687679287 571917114 /nfs/dbraw/zinc/91/71/14/571917114.db2.gz ZAZSDUPLYOXDKN-VBOWQXIBSA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)/C=C(\C)C(C)(C)F 39252527 571917145 /nfs/dbraw/zinc/91/71/45/571917145.db2.gz WKGPXQPVOUWQHG-AATRIKPKSA-N 0 0 144.189 2.270 10 30 AEEERN CC(C)=CC[C@@H](C)C=O 39254265 571917153 /nfs/dbraw/zinc/91/71/53/571917153.db2.gz NTPNJYFKMSTHQR-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC(=O)[C@@H]1[C@@H](C)[C@@H]2C=C[C@H]1C2 139435275 571919893 /nfs/dbraw/zinc/91/98/93/571919893.db2.gz OCCMHOARHYQOPY-QCBRBAQYSA-N 0 0 162.232 2.200 10 30 AEEERN N#Cc1c(N)cccc1-c1cccnc1 47216311 571919932 /nfs/dbraw/zinc/91/99/32/571919932.db2.gz TUIKBPHYWKCYGU-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CC[S@](=O)Cc1ccccc1 136964482 571923264 /nfs/dbraw/zinc/92/32/64/571923264.db2.gz NIGWMXVAESZONA-GFCCVEGCSA-N 0 0 180.272 2.121 10 30 AEEERN CCCCCCCNC(=O)CS 100314139 571923325 /nfs/dbraw/zinc/92/33/25/571923325.db2.gz CTLXBDLSZUCKGP-UHFFFAOYSA-N 0 0 189.324 2.003 10 30 AEEERN C[C@H](C=O)[C@@H]1CCc2cccc(O)c21 257817681 573459460 /nfs/dbraw/zinc/45/94/60/573459460.db2.gz DWIOQXQRPQERCF-SCZZXKLOSA-N 0 0 190.242 2.257 10 30 AEEERN CC[C@]1(c2ccccc2O)C[C@H]1C=O 257814193 573459466 /nfs/dbraw/zinc/45/94/66/573459466.db2.gz CKDONCQHXVANPY-CABZTGNLSA-N 0 0 190.242 2.259 10 30 AEEERN CC[C@H](C#N)C(=O)[C@@H]1CC1(C)C 233972280 571942846 /nfs/dbraw/zinc/94/28/46/571942846.db2.gz RIWDYYWNUNHAJD-SFYZADRCSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)(C)C#CCc1cccnc1N 300821935 571942873 /nfs/dbraw/zinc/94/28/73/571942873.db2.gz ZHDDNKAHHLGCOX-UHFFFAOYSA-N 0 0 188.274 2.256 10 30 AEEERN N#C[C@@H]1CCC[C@@H](F)C1 107265842 573459535 /nfs/dbraw/zinc/45/95/35/573459535.db2.gz SDHRMYOWTIFLRA-RNFRBKRXSA-N 0 0 127.162 2.038 10 30 AEEERN COc1cccc([C@H](F)CC=O)c1 257814972 573460503 /nfs/dbraw/zinc/46/05/03/573460503.db2.gz CQKDTQMBTSZKDX-SNVBAGLBSA-N 0 0 182.194 2.295 10 30 AEEERN CCCCC#C[C@@H](O)CCC 34599070 573460595 /nfs/dbraw/zinc/46/05/95/573460595.db2.gz SMLGMJAHWDEZJA-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN N#CCC1(c2ccccc2F)COC1 40443048 571954329 /nfs/dbraw/zinc/95/43/29/571954329.db2.gz DUCDXTYGBMAZFI-UHFFFAOYSA-N 0 0 191.205 2.007 10 30 AEEERN CC(C)(C)Oc1ccnc(CC#N)c1 214599801 571961530 /nfs/dbraw/zinc/96/15/30/571961530.db2.gz IUTLGLFYZCCTJH-UHFFFAOYSA-N 0 0 190.246 2.325 10 30 AEEERN CC[C@@H]1OC1(CC)CC 32218670 571971187 /nfs/dbraw/zinc/97/11/87/571971187.db2.gz CWJMXJPRLGJLKD-ZETCQYMHSA-N 0 0 128.215 2.354 10 30 AEEERN C#C[C@](C)(OCC)[C@H](C)CC 32217147 571971215 /nfs/dbraw/zinc/97/12/15/571971215.db2.gz GPZPYJMSEBCLFU-ZJUUUORDSA-N 0 0 154.253 2.461 10 30 AEEERN CSc1cc(C)nc(N=[N+]=[N-])n1 238405284 573465007 /nfs/dbraw/zinc/46/50/07/573465007.db2.gz XQRWUCVINJIZOT-UHFFFAOYSA-N 0 0 181.224 2.449 10 30 AEEERN C=C(C)[C@H](O)C(=O)C1CCCCC1 139769767 571972589 /nfs/dbraw/zinc/97/25/89/571972589.db2.gz HERPRLNSQKYABE-JTQLQIEISA-N 0 0 182.263 2.073 10 30 AEEERN C=CC(=O)c1c(C)ccc(OC)c1O 32232179 571973000 /nfs/dbraw/zinc/97/30/00/571973000.db2.gz CKGVYKGUWWBWLT-UHFFFAOYSA-N 0 0 192.214 2.078 10 30 AEEERN COc1cc(CCC#N)cc(O)c1C 214634219 571973073 /nfs/dbraw/zinc/97/30/73/571973073.db2.gz YYFRUNRYNJIRSK-UHFFFAOYSA-N 0 0 191.230 2.165 10 30 AEEERN COc1cc([C@@H](C)C#N)cc(O)c1C 214633875 571973101 /nfs/dbraw/zinc/97/31/01/571973101.db2.gz RKHAMXQVKKPVTB-ZETCQYMHSA-N 0 0 191.230 2.336 10 30 AEEERN CC1=CC(=O)C(C)(C)C=C1C 32302643 571976075 /nfs/dbraw/zinc/97/60/75/571976075.db2.gz IYTWVEGZLXNQPP-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN N#CCSc1ccc(O)c(F)c1 139812283 571976087 /nfs/dbraw/zinc/97/60/87/571976087.db2.gz VIWWONBGVNNHIW-UHFFFAOYSA-N 0 0 183.207 2.147 10 30 AEEERN CCn1nc(-c2ccco2)cc1C#N 259461347 573467041 /nfs/dbraw/zinc/46/70/41/573467041.db2.gz XQLAZUTXYSSMQD-UHFFFAOYSA-N 0 0 187.202 2.035 10 30 AEEERN N#Cc1cc2c(cc1N)SC(=O)C2 306631063 573471853 /nfs/dbraw/zinc/47/18/53/573471853.db2.gz CYLJEYQEBCASIF-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=CCCC(=O)[C@H](CC)OCC 131731441 573471929 /nfs/dbraw/zinc/47/19/29/573471929.db2.gz DDQFNLONPFXKCY-JTQLQIEISA-N 0 0 170.252 2.337 10 30 AEEERN CC(C)(C)CCCOC[C@@](C)(N)C#N 308584753 573471940 /nfs/dbraw/zinc/47/19/40/573471940.db2.gz RIFDHDMAIUKQEA-NSHDSACASA-N 0 0 198.310 2.070 10 30 AEEERN CC(C)(C)[C@H]1C[C@H]1C#N 148969970 571982684 /nfs/dbraw/zinc/98/26/84/571982684.db2.gz SGKVAJUDHCJJEE-BQBZGAKWSA-N 0 0 123.199 2.192 10 30 AEEERN C[C@@H](c1cccs1)[C@H](C#N)N(C)C 41206899 571982691 /nfs/dbraw/zinc/98/26/91/571982691.db2.gz UKYOSMMLEHRPNW-BDAKNGLRSA-N 0 0 194.303 2.305 10 30 AEEERN CC[C@H](C)Oc1cccc(N)c1C#N 118835298 571997560 /nfs/dbraw/zinc/99/75/60/571997560.db2.gz GFYMQFYCHDNFQW-QMMMGPOBSA-N 0 0 190.246 2.318 10 30 AEEERN C[C@@H]1CCC[C@H]2C(=O)C=C(O)[C@H]12 238413650 573477727 /nfs/dbraw/zinc/47/77/27/573477727.db2.gz RIOOZRTUULJREV-MATHAZKKSA-N 0 0 166.220 2.063 10 30 AEEERN C=CCOC[C@@H](O)CCCCC 238237548 573477808 /nfs/dbraw/zinc/47/78/08/573477808.db2.gz MNIMFKLQDZCWGX-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN C[C@](F)(C=O)c1ccc2c(c1)OCC2 257818312 573477844 /nfs/dbraw/zinc/47/78/44/573477844.db2.gz FCFPAYDGXRBDNV-NSHDSACASA-N 0 0 194.205 2.005 10 30 AEEERN CC(C)Cn1nccc1C(C)(C)C#N 214659592 571988496 /nfs/dbraw/zinc/98/84/96/571988496.db2.gz LIWORJSHNNPZSG-UHFFFAOYSA-N 0 0 191.278 2.340 10 30 AEEERN CC(C)(C)N[C@@]1(C#N)CC1(C)C 139950306 571989237 /nfs/dbraw/zinc/98/92/37/571989237.db2.gz WJIWNGPJGNWQCG-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@H]1C[C@@H](F)C1(F)F 139919485 571991257 /nfs/dbraw/zinc/99/12/57/571991257.db2.gz ZIJZIDONVYTGEZ-CRCLSJGQSA-N 0 0 136.116 2.166 10 30 AEEERN Cc1ccsc1[C@H](C#N)N(C)C 41674751 571991258 /nfs/dbraw/zinc/99/12/58/571991258.db2.gz BQFPFOLVMHHCOG-QMMMGPOBSA-N 0 0 180.276 2.183 10 30 AEEERN O/N=C1\CCC[C@@H](C2CC2)C1 81648979 571991274 /nfs/dbraw/zinc/99/12/74/571991274.db2.gz RYCIDMDGQKWLFD-KGSKPCQNSA-N 0 0 153.225 2.417 10 30 AEEERN CCCCCC=NO 394118332 571991302 /nfs/dbraw/zinc/99/13/02/571991302.db2.gz YOIWSDLNGMVRLR-UHFFFAOYSA-N 0 0 115.176 2.027 10 30 AEEERN CCCCC#C/C=C/C#CCCO 207057226 571997511 /nfs/dbraw/zinc/99/75/11/571997511.db2.gz RRMBKAUBTQYUHY-BQYQJAHWSA-N 0 0 176.259 2.122 10 30 AEEERN C=C[C@@](C)(OC)[C@H](O)c1ccccc1 308596053 573479136 /nfs/dbraw/zinc/47/91/36/573479136.db2.gz RUIJCBVAZMGJCY-VXGBXAGGSA-N 0 0 192.258 2.311 10 30 AEEERN [N-]=[N+]=Nc1cc(=O)[nH]c2ccccc12 33377138 572000333 /nfs/dbraw/zinc/00/03/33/572000333.db2.gz BYZRVFGVANYGRC-UHFFFAOYSA-N 0 0 186.174 2.470 10 30 AEEERN C#C[C@@H]([NH2+]CCC)c1coc(C)c1 130144788 573481545 /nfs/dbraw/zinc/48/15/45/573481545.db2.gz QLEYYXOBUFEJOX-LLVKDONJSA-N 0 0 177.247 2.262 10 30 AEEERN C=C[C@H](O)C/C=C/CC[C@H](O)/C=C\C 308595199 573481632 /nfs/dbraw/zinc/48/16/32/573481632.db2.gz RNUCIRODTXLBNP-IOYHLHMXSA-N 0 0 196.290 2.197 10 30 AEEERN CN[C@@](C#N)(CSC(C)C)C1CC1 68909716 572006633 /nfs/dbraw/zinc/00/66/33/572006633.db2.gz UOMZWLMGAFGQTB-JTQLQIEISA-N 0 0 198.335 2.020 10 30 AEEERN CCCSC[C@](C#N)(NC)C1CC1 68908044 572006695 /nfs/dbraw/zinc/00/66/95/572006695.db2.gz HMDNUTQHGVHBQZ-JTQLQIEISA-N 0 0 198.335 2.021 10 30 AEEERN C[C@H](CC#N)[NH2+]C1(C)CCCC1 42186960 572006717 /nfs/dbraw/zinc/00/67/17/572006717.db2.gz MDZWNXQPTJHHPS-SECBINFHSA-N 0 0 166.268 2.211 10 30 AEEERN C#C[C@H]([NH2+]CCC)c1coc(C)c1 130144592 573481675 /nfs/dbraw/zinc/48/16/75/573481675.db2.gz QLEYYXOBUFEJOX-NSHDSACASA-N 0 0 177.247 2.262 10 30 AEEERN C=CC[C@H](CO)C[C@H]1CCCS1 715843756 573481706 /nfs/dbraw/zinc/48/17/06/573481706.db2.gz AAJBFCRZULDMRA-VHSXEESVSA-N 0 0 186.320 2.457 10 30 AEEERN O=CCc1ccc(Cl)s1 78434568 573481777 /nfs/dbraw/zinc/48/17/77/573481777.db2.gz FGRVARMQFNVHIS-UHFFFAOYSA-N 0 0 160.625 2.143 10 30 AEEERN CC#CCC[C@H](NN)[C@H]1CCC[C@H]1C 300233143 572015327 /nfs/dbraw/zinc/01/53/27/572015327.db2.gz JSLNOIYKWHJKIL-WOPDTQHZSA-N 0 0 194.322 2.058 10 30 AEEERN C=C(c1ccccc1C)[C@@H](C)O 238415845 573481782 /nfs/dbraw/zinc/48/17/82/573481782.db2.gz KECGKFACUFUPMM-SNVBAGLBSA-N 0 0 162.232 2.389 10 30 AEEERN Cc1coc2c1CC[C@@H](C)[C@H]2C=O 238415439 573485058 /nfs/dbraw/zinc/48/50/58/573485058.db2.gz HIURMZPYPOZJPP-GMSGAONNSA-N 0 0 178.231 2.453 10 30 AEEERN C=C(c1ccc(F)cc1)[C@@H](C)O 238415712 573485066 /nfs/dbraw/zinc/48/50/66/573485066.db2.gz FAVLTZPEYOVCAP-MRVPVSSYSA-N 0 0 166.195 2.220 10 30 AEEERN CCc1nc(C)cc(C#N)c1C 259469888 573485106 /nfs/dbraw/zinc/48/51/06/573485106.db2.gz BIFRGYRGIIOMCV-UHFFFAOYSA-N 0 0 160.220 2.133 10 30 AEEERN Cc1coc2c1CC[C@@H](C)[C@@H]2C=O 238415455 573485118 /nfs/dbraw/zinc/48/51/18/573485118.db2.gz HIURMZPYPOZJPP-XCBNKYQSSA-N 0 0 178.231 2.453 10 30 AEEERN CC/C=C/C(=O)C[C@H]1CCCO1 687698665 572018568 /nfs/dbraw/zinc/01/85/68/572018568.db2.gz MZBLPXIGNDXZMU-RXNUUUNCSA-N 0 0 168.236 2.091 10 30 AEEERN COCCS[C@@H]1CCCC[C@H]1C#N 35321911 572021481 /nfs/dbraw/zinc/02/14/81/572021481.db2.gz DHXVHEVQKBCCJH-VHSXEESVSA-N 0 0 199.319 2.448 10 30 AEEERN C=C(C)CCOc1cc(C)c(N)cn1 300884518 572022729 /nfs/dbraw/zinc/02/27/29/572022729.db2.gz ARKSERRVPUJILK-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN C=CC(=O)[C@H]1CC=C[C@H](C)C1 238415676 573485176 /nfs/dbraw/zinc/48/51/76/573485176.db2.gz JJOFMZHZRFXHAZ-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C=CCSc1ccc(CO)cc1 143597202 573490540 /nfs/dbraw/zinc/49/05/40/573490540.db2.gz UEZYTAYGBGDFEQ-UHFFFAOYSA-N 0 0 180.272 2.457 10 30 AEEERN C#CCN(CC)C(=O)[C@H](C)CCCC 300893921 572026663 /nfs/dbraw/zinc/02/66/63/572026663.db2.gz IAFTVVANMNYENY-LLVKDONJSA-N 0 0 195.306 2.294 10 30 AEEERN CC[C@@H](O)c1ccccc1OCC#N 35625926 572027836 /nfs/dbraw/zinc/02/78/36/572027836.db2.gz LFPBIOYNGMHNNA-SNVBAGLBSA-N 0 0 191.230 2.032 10 30 AEEERN CN[C@H](C#N)c1cccc2cccnc12 69050895 572027943 /nfs/dbraw/zinc/02/79/43/572027943.db2.gz YDJTWSVDMZXVKC-LLVKDONJSA-N 0 0 197.241 2.019 10 30 AEEERN CN[C@@H](C#N)c1cccc2cccnc12 69050894 572028289 /nfs/dbraw/zinc/02/82/89/572028289.db2.gz YDJTWSVDMZXVKC-NSHDSACASA-N 0 0 197.241 2.019 10 30 AEEERN CCCCCCNC(=O)[C@@H](C)S 232943448 572028380 /nfs/dbraw/zinc/02/83/80/572028380.db2.gz HMVGWKIAMMMKCC-MRVPVSSYSA-N 0 0 189.324 2.001 10 30 AEEERN C#CCCOc1cccc(N(C)C)c1 82494164 572029325 /nfs/dbraw/zinc/02/93/25/572029325.db2.gz OJRRXLUDGAMOCM-UHFFFAOYSA-N 0 0 189.258 2.155 10 30 AEEERN CC(C)=N[C@H](C)c1[nH]c(=O)ccc1C 238408095 573492318 /nfs/dbraw/zinc/49/23/18/573492318.db2.gz RNZCNUOLLKCOFN-SECBINFHSA-N 0 0 192.262 2.225 10 30 AEEERN Cc1ccccc1[C@@]1(C#N)CCCN1 258684358 573492418 /nfs/dbraw/zinc/49/24/18/573492418.db2.gz MIURBHACPUBNNJ-LBPRGKRZSA-N 0 0 186.258 2.097 10 30 AEEERN CCSc1ccc(CO)cc1C#N 233867889 572036044 /nfs/dbraw/zinc/03/60/44/572036044.db2.gz YCJQCEVSYDIJAY-UHFFFAOYSA-N 0 0 193.271 2.163 10 30 AEEERN C/C(=N/O)[C@H]1Cc2ccccc21 33839059 572036428 /nfs/dbraw/zinc/03/64/28/572036428.db2.gz OEECJXXNEJIBMM-PAKSIRSJSA-N 0 0 161.204 2.176 10 30 AEEERN CSc1ccc(OCCC=O)cc1 82504403 572036457 /nfs/dbraw/zinc/03/64/57/572036457.db2.gz SOPWWDXUISDCBO-UHFFFAOYSA-N 0 0 196.271 2.376 10 30 AEEERN C=C/C=C/CCCCC=O 33820565 572036519 /nfs/dbraw/zinc/03/65/19/572036519.db2.gz KFCWBYVPPYORPI-ONEGZZNKSA-N 0 0 138.210 2.488 10 30 AEEERN C[C@@]12CC=CC1=CC(=O)CC2 33836229 572036579 /nfs/dbraw/zinc/03/65/79/572036579.db2.gz GOELYAMVRNKULS-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN CSCC[C@]1(C#N)CCCOCC1 725610781 572041939 /nfs/dbraw/zinc/04/19/39/572041939.db2.gz RHOIXAOKSLPZHA-JTQLQIEISA-N 0 0 199.319 2.450 10 30 AEEERN C#CCCC[C@H](O)c1cnc(C)s1 235838462 572045136 /nfs/dbraw/zinc/04/51/36/572045136.db2.gz LTOBVOUHOSQPRZ-VIFPVBQESA-N 0 0 195.287 2.288 10 30 AEEERN C=C(C)[C@@H](C)[C@H](C)C=O 34115135 572055165 /nfs/dbraw/zinc/05/51/65/572055165.db2.gz QYBMRCDWXBWNBP-HTQZYQBOSA-N 0 0 126.199 2.034 10 30 AEEERN COCC/N=C\c1ccc(C)cc1 100417744 572055725 /nfs/dbraw/zinc/05/57/25/572055725.db2.gz RRKOULVTVVMSDI-XFXZXTDPSA-N 0 0 177.247 2.060 10 30 AEEERN C=C(C)C(=O)Nc1cccc(OC)c1 34127934 572058449 /nfs/dbraw/zinc/05/84/49/572058449.db2.gz OCJRPRBAYHJUPZ-UHFFFAOYSA-N 0 0 191.230 2.210 10 30 AEEERN N#CCCCC#Cc1cccnc1 34140140 572058547 /nfs/dbraw/zinc/05/85/47/572058547.db2.gz VWMHGNWGUWDADD-UHFFFAOYSA-N 0 0 170.215 2.127 10 30 AEEERN Cc1ccccc1[C@]1(C#N)CCCN1 258684357 573493539 /nfs/dbraw/zinc/49/35/39/573493539.db2.gz MIURBHACPUBNNJ-GFCCVEGCSA-N 0 0 186.258 2.097 10 30 AEEERN C[C@@H](C#N)Nc1cccs1 258687071 573493547 /nfs/dbraw/zinc/49/35/47/573493547.db2.gz CQFMXDSJJMZNPB-LURJTMIESA-N 0 0 152.222 2.072 10 30 AEEERN C[C@@H](O)/C=C/c1ccc(F)c(C#N)c1 235231872 573493551 /nfs/dbraw/zinc/49/35/51/573493551.db2.gz XMQFSQJZQYNHGJ-UFUPEUMYSA-N 0 0 191.205 2.091 10 30 AEEERN C=CCCN(C)c1cncc(Cl)n1 308397541 573493564 /nfs/dbraw/zinc/49/35/64/573493564.db2.gz FGCIWBXFNLQPRH-UHFFFAOYSA-N 0 0 197.669 2.142 10 30 AEEERN CC(=O)c1cccc(NCS)c1 258689180 573493578 /nfs/dbraw/zinc/49/35/78/573493578.db2.gz QDDRKBABVPWAIF-UHFFFAOYSA-N 0 0 181.260 2.188 10 30 AEEERN Cc1nc2cc(NCC#N)ccc2o1 258687517 573493617 /nfs/dbraw/zinc/49/36/17/573493617.db2.gz CTLVRLMLUSGYGC-UHFFFAOYSA-N 0 0 187.202 2.072 10 30 AEEERN Cc1cc2c(cc1N)C[C@@H](C#N)S2 259473876 573493654 /nfs/dbraw/zinc/49/36/54/573493654.db2.gz QLBUEQVAEXIJSM-QMMMGPOBSA-N 0 0 190.271 2.118 10 30 AEEERN C[C@@H](C#N)NC(=O)C[C@@H](C)C(C)(C)C 82618933 572073418 /nfs/dbraw/zinc/07/34/18/572073418.db2.gz JMMZMINEJCEHNC-BDAKNGLRSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)N[C@H](C#N)c1ccc(C#N)cc1 36924663 572073421 /nfs/dbraw/zinc/07/34/21/572073421.db2.gz RFRAUQRQAHHTOO-GFCCVEGCSA-N 0 0 199.257 2.121 10 30 AEEERN C[C@H](C#N)Nc1cccs1 258687074 573493711 /nfs/dbraw/zinc/49/37/11/573493711.db2.gz CQFMXDSJJMZNPB-ZCFIWIBFSA-N 0 0 152.222 2.072 10 30 AEEERN Cc1ccsc1CN[C@H](C)CC#N 82666503 572078335 /nfs/dbraw/zinc/07/83/35/572078335.db2.gz GBCTUQDXLOUBLP-SECBINFHSA-N 0 0 194.303 2.448 10 30 AEEERN CC1=C(C)C(=O)[C@](C)(CCCO)CC1 34414978 572078350 /nfs/dbraw/zinc/07/83/50/572078350.db2.gz PFDQJJXNQMRILU-GFCCVEGCSA-N 0 0 196.290 2.465 10 30 AEEERN Cc1c(C#N)cccc1C[C@H](C)C=O 238408478 573493720 /nfs/dbraw/zinc/49/37/20/573493720.db2.gz FCVTVVQSVVSWFS-VIFPVBQESA-N 0 0 187.242 2.244 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)CC1CC1 69664848 572129718 /nfs/dbraw/zinc/12/97/18/572129718.db2.gz MTNUGPQKKXMBBB-SCZZXKLOSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1CC(O)=C(C=O)[C@H](C)C1 82830290 572129732 /nfs/dbraw/zinc/12/97/32/572129732.db2.gz MOEAXIFVGJCPPN-QSSILZCLSA-N 0 0 154.209 2.063 10 30 AEEERN Cn1ccc(C(C)(C)C)c1C#N 259473765 573493814 /nfs/dbraw/zinc/49/38/14/573493814.db2.gz QIXKVZFAUFXNJI-UHFFFAOYSA-N 0 0 162.236 2.194 10 30 AEEERN CC1(CC=O)SCCCS1 34596682 572096955 /nfs/dbraw/zinc/09/69/55/572096955.db2.gz SQQISCKGGXGRAW-UHFFFAOYSA-N 0 0 176.306 2.162 10 30 AEEERN O=C1CCCC2=C1[C@@H]1CCC[C@@H]1O2 34589316 572096999 /nfs/dbraw/zinc/09/69/99/572096999.db2.gz LNJHGMWCNDDRDC-APPZFPTMSA-N 0 0 178.231 2.192 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C(=O)[C@@H]1CC=O 34585815 572098461 /nfs/dbraw/zinc/09/84/61/572098461.db2.gz WVSUKYLFWGILRI-GMTAPVOTSA-N 0 0 196.290 2.463 10 30 AEEERN CC[C@@H](CC#N)[S@](=O)C1CCCC1 82789565 572111260 /nfs/dbraw/zinc/11/12/60/572111260.db2.gz AKNOVBPRCSCRIP-TVQRCGJNSA-N 0 0 199.319 2.370 10 30 AEEERN C=C[C@H](C)ON[C@@H]1CCOC(C)(C)C1 400934423 572111564 /nfs/dbraw/zinc/11/15/64/572111564.db2.gz MVEFHOLXJTZZER-VHSXEESVSA-N 0 0 199.294 2.040 10 30 AEEERN CC[C@@H](C#N)[S@@](=O)CC1CCCC1 82789691 572111572 /nfs/dbraw/zinc/11/15/72/572111572.db2.gz ZUBNRZKKPSYRPD-GXFFZTMASA-N 0 0 199.319 2.227 10 30 AEEERN CCCC[S@@](=O)CCCCC#N 82789147 572111624 /nfs/dbraw/zinc/11/16/24/572111624.db2.gz MZLRVVXVRFUNNJ-LBPRGKRZSA-N 0 0 187.308 2.229 10 30 AEEERN CC[C@@H](CC#N)[S@](=O)C(C)(C)C 82788659 572111634 /nfs/dbraw/zinc/11/16/34/572111634.db2.gz IRNFKFVIDNOOQY-QPUJVOFHSA-N 0 0 187.308 2.226 10 30 AEEERN C[C@@H](C#N)C[S@](=O)CC1CCCC1 82789678 572111647 /nfs/dbraw/zinc/11/16/47/572111647.db2.gz GPQJQZFLZCGXLE-TVQRCGJNSA-N 0 0 199.319 2.085 10 30 AEEERN CCCC[S@](=O)[C@H]1CCC[C@@H]1C#N 82789185 572111657 /nfs/dbraw/zinc/11/16/57/572111657.db2.gz SEXMDXAZUQQPSI-GBIKHYSHSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)OCCC(C)(C)C#N 17620306 572111724 /nfs/dbraw/zinc/11/17/24/572111724.db2.gz KBACRFWQOBXJSL-UHFFFAOYSA-N 0 0 155.241 2.351 10 30 AEEERN C[C@H](CC#N)[S@](=O)CC1CCCC1 82789689 572111725 /nfs/dbraw/zinc/11/17/25/572111725.db2.gz YMQIJDZVYFYPOH-RNCFNFMXSA-N 0 0 199.319 2.227 10 30 AEEERN C[C@@H](CC#N)[S@](=O)CC1CCCC1 82789686 572111746 /nfs/dbraw/zinc/11/17/46/572111746.db2.gz YMQIJDZVYFYPOH-ZANVPECISA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@@H](CC#N)[S@](=O)[C@H](C)CC 82788419 572111758 /nfs/dbraw/zinc/11/17/58/572111758.db2.gz XFDPFRMVSIKLNF-PTRXPTGYSA-N 0 0 187.308 2.226 10 30 AEEERN C=C[C@@H](C)[C@@H](O)[C@H](C)CC 196182694 572111781 /nfs/dbraw/zinc/11/17/81/572111781.db2.gz MVTVDAPLCOTIFV-IWSPIJDZSA-N 0 0 142.242 2.216 10 30 AEEERN CC(C)C[S@](=O)[C@@H]1CCC[C@@H]1C#N 82789035 572111782 /nfs/dbraw/zinc/11/17/82/572111782.db2.gz NPKYEMNBBRRPDJ-GIPNMCIBSA-N 0 0 199.319 2.083 10 30 AEEERN C=C(C)CONCCCCCC#N 400933061 572111804 /nfs/dbraw/zinc/11/18/04/572111804.db2.gz PBWUNBDMRWMIOR-UHFFFAOYSA-N 0 0 182.267 2.168 10 30 AEEERN CC[C@@H](CC#N)[S@@](=O)C(C)(C)C 82788655 572111805 /nfs/dbraw/zinc/11/18/05/572111805.db2.gz IRNFKFVIDNOOQY-UFBFGSQYSA-N 0 0 187.308 2.226 10 30 AEEERN CC[C@H](CC#N)[S@@](=O)C(C)(C)C 82788657 572111810 /nfs/dbraw/zinc/11/18/10/572111810.db2.gz IRNFKFVIDNOOQY-PELKAZGASA-N 0 0 187.308 2.226 10 30 AEEERN CC[C@H](C#N)[S@](=O)CC1CCCC1 82789696 572111820 /nfs/dbraw/zinc/11/18/20/572111820.db2.gz ZUBNRZKKPSYRPD-MFKMUULPSA-N 0 0 199.319 2.227 10 30 AEEERN COCc1cccc(O[C@H](C)C#N)c1 69637940 572129672 /nfs/dbraw/zinc/12/96/72/572129672.db2.gz AUPBLNWPHXDOLA-SECBINFHSA-N 0 0 191.230 2.124 10 30 AEEERN CC[C@H](C)n1ccc(CCCC=O)n1 82877476 572161166 /nfs/dbraw/zinc/16/11/66/572161166.db2.gz JDPAUIWFXQSFAQ-JTQLQIEISA-N 0 0 194.278 2.376 10 30 AEEERN C=C[C@@H](OC1CCCCC1)C(=O)OC 300963990 572181409 /nfs/dbraw/zinc/18/14/09/572181409.db2.gz GOGSQDUUMLOYDG-SNVBAGLBSA-N 0 0 198.262 2.063 10 30 AEEERN CC[C@](C#N)(NC1CC1)C(C)C 37755116 572187341 /nfs/dbraw/zinc/18/73/41/572187341.db2.gz URIMDEYLHWWFFH-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H]1CCCC[C@H]1OCC#N 19508593 572187380 /nfs/dbraw/zinc/18/73/80/572187380.db2.gz WMAQHNXBQCTWPU-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H]1CC(=O)C=C[C@@H]1C 35874354 572187429 /nfs/dbraw/zinc/18/74/29/572187429.db2.gz RRTCBVVNXFIXSN-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H]1CCC[C@@]2(CC1)CO2 83434819 573498288 /nfs/dbraw/zinc/49/82/88/573498288.db2.gz ZIQIUMBAPICIHY-RKDXNWHRSA-N 0 0 140.226 2.356 10 30 AEEERN COc1ccc([C@H]2O[C@@H]2C)cc1F 258699394 573499185 /nfs/dbraw/zinc/49/91/85/573499185.db2.gz HEXJNEWVMLMNJT-LDWIPMOCSA-N 0 0 182.194 2.294 10 30 AEEERN OCCCC#CC1CCCCC1 211855734 573499215 /nfs/dbraw/zinc/49/92/15/573499215.db2.gz OEPRYCGLMUASSJ-UHFFFAOYSA-N 0 0 166.264 2.343 10 30 AEEERN C[C@@H]1CCCC(C=O)=C(O)C1(C)C 238417874 573499228 /nfs/dbraw/zinc/49/92/28/573499228.db2.gz TUTRJVLWWMTJMR-RKDXNWHRSA-N 0 0 182.263 2.217 10 30 AEEERN N#Cc1c[nH]c(-c2ccccc2)cc1=O 77295956 572337432 /nfs/dbraw/zinc/33/74/32/572337432.db2.gz LCFFUUICEMSYDZ-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=CC[C@@]1(C)CC(C)=CC1=O 196610676 572343303 /nfs/dbraw/zinc/34/33/03/572343303.db2.gz MFIHEPFZYVRIND-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C#CC[C@@H](O)c1nccc2ccccc12 68958896 572343328 /nfs/dbraw/zinc/34/33/28/572343328.db2.gz YZWZHMNQWRWJQI-GFCCVEGCSA-N 0 0 197.237 2.292 10 30 AEEERN C=C(F)[C@@H](O)CCCCC 196611201 572343336 /nfs/dbraw/zinc/34/33/36/572343336.db2.gz MQTDEWDTQRQZBS-QMMMGPOBSA-N 0 0 146.205 2.411 10 30 AEEERN COC[C@@](C)(C=O)C=C(Cl)Cl 196604494 572343338 /nfs/dbraw/zinc/34/33/38/572343338.db2.gz MSARJXRVIKCDQY-SSDOTTSWSA-N 0 0 197.061 2.157 10 30 AEEERN C#CCOC(=O)[C@H](C)C(CC)CC 308399391 573499389 /nfs/dbraw/zinc/49/93/89/573499389.db2.gz GILBJKOHBKXZJM-SECBINFHSA-N 0 0 182.263 2.235 10 30 AEEERN CCN(CC(C)C)C(C)(C)C#N 307979811 572343346 /nfs/dbraw/zinc/34/33/46/572343346.db2.gz NYLPLRBEFUGKBQ-UHFFFAOYSA-N 0 0 168.284 2.266 10 30 AEEERN C=C[C@H](C)[C@H](O)C#CCCCC 238216512 572343368 /nfs/dbraw/zinc/34/33/68/572343368.db2.gz QOTBCPPQMDPZCK-WDEREUQCSA-N 0 0 166.264 2.363 10 30 AEEERN C=CC[C@]1(C)CC=CC1=O 196610665 572343395 /nfs/dbraw/zinc/34/33/95/572343395.db2.gz COYDFWDVKNRHJI-SECBINFHSA-N 0 0 136.194 2.098 10 30 AEEERN C#C[C@H](C=C)[C@H](O)CCCCC 238215799 572343418 /nfs/dbraw/zinc/34/34/18/572343418.db2.gz UTQGIQQJOCTZBA-GHMZBOCLSA-N 0 0 166.264 2.363 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)(NC)CC1 83436054 573504817 /nfs/dbraw/zinc/50/48/17/573504817.db2.gz NHYRGNKUJRACMZ-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H]1CCC[C@](N)(C#N)CC1 83436048 573504840 /nfs/dbraw/zinc/50/48/40/573504840.db2.gz LTSRODOKEVOSSK-NXEZZACHSA-N 0 0 166.268 2.198 10 30 AEEERN Cc1ccc2c(ccn2CC#N)c1 75233501 573505971 /nfs/dbraw/zinc/50/59/71/573505971.db2.gz FHCGZYYFUNDDIR-UHFFFAOYSA-N 0 0 170.215 2.473 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1coc(C)n1 714960655 573505990 /nfs/dbraw/zinc/50/59/90/573505990.db2.gz NBSWCNLLIFZENZ-XVKPBYJWSA-N 0 0 181.235 2.229 10 30 AEEERN C[C@@]12CC=CC[C@H]1CC(=O)C(=O)C2 238419321 573506020 /nfs/dbraw/zinc/50/60/20/573506020.db2.gz YFIWQUVIGGKCSV-KWQFWETISA-N 0 0 178.231 2.374 10 30 AEEERN CC[C@@H](C#N)NCc1ccc(Cl)o1 308400375 573506031 /nfs/dbraw/zinc/50/60/31/573506031.db2.gz GTQDCOVSXOKRGF-ZETCQYMHSA-N 0 0 198.653 2.325 10 30 AEEERN C=CC(C)(C)[C@H](C)C(C)=O 238419066 573506118 /nfs/dbraw/zinc/50/61/18/573506118.db2.gz BNVIKAHIWGIGDR-SSDOTTSWSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@H]1[C@@H](C#N)CO 238419385 573506130 /nfs/dbraw/zinc/50/61/30/573506130.db2.gz FZAHLQFUZFLPAC-UTLUCORTSA-N 0 0 181.279 2.191 10 30 AEEERN Cc1ccc2[nH]cc(C(=O)C#N)c2c1C 259613386 573506138 /nfs/dbraw/zinc/50/61/38/573506138.db2.gz GWFLTAZCIIOILR-UHFFFAOYSA-N 0 0 198.225 2.491 10 30 AEEERN CCCN(CC#N)[C@H]1CC[C@H](C)C1 308400249 573506166 /nfs/dbraw/zinc/50/61/66/573506166.db2.gz GPUKCLBPTKRSEO-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN C=C(OCC)[C@@H](O)/C=C/CCC 238217483 572346762 /nfs/dbraw/zinc/34/67/62/572346762.db2.gz APFAKRNSCOYLLJ-JARNTUPDSA-N 0 0 170.252 2.254 10 30 AEEERN CCCCC[C@@H](O)[C@H]1OC1(C)C 238217279 572346773 /nfs/dbraw/zinc/34/67/73/572346773.db2.gz JYJMCQPKMGCHJP-RKDXNWHRSA-N 0 0 172.268 2.105 10 30 AEEERN C=C(C)[C@H](NN)c1csc(C)c1 307121445 572346826 /nfs/dbraw/zinc/34/68/26/572346826.db2.gz UMLPRMLQURKLKD-VIFPVBQESA-N 0 0 182.292 2.137 10 30 AEEERN C=C(C)[C@H](O)CC#C[Si](C)(C)C 196617175 572346853 /nfs/dbraw/zinc/34/68/53/572346853.db2.gz OCLIBYGHANJTJZ-SNVBAGLBSA-N 0 0 182.339 2.194 10 30 AEEERN CC[C@H]1CCC[C@](C#N)(NC)CC1 83436057 573506213 /nfs/dbraw/zinc/50/62/13/573506213.db2.gz NHYRGNKUJRACMZ-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CC(C)(C#N)C[C@H](O)CC(F)(F)F 308003004 572378496 /nfs/dbraw/zinc/37/84/96/572378496.db2.gz BUJQJRUDHCLFHK-LURJTMIESA-N 0 0 195.184 2.240 10 30 AEEERN C#CCNc1cccc(OC(F)F)c1 68990135 572387306 /nfs/dbraw/zinc/38/73/06/572387306.db2.gz MXRGAQIIMQCAMF-UHFFFAOYSA-N 0 0 197.184 2.333 10 30 AEEERN C=C[C@@H](C)ONC[C@@H](C)CC(F)F 688765136 573506535 /nfs/dbraw/zinc/50/65/35/573506535.db2.gz ABOFGRFQBFMFMX-JGVFFNPUSA-N 0 0 193.237 2.373 10 30 AEEERN N#Cc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]32)nc1 308867967 573507200 /nfs/dbraw/zinc/50/72/00/573507200.db2.gz HHHZVXZSLCEWSI-OUAUKWLOSA-N 0 0 199.257 2.164 10 30 AEEERN CCCCC(=O)[C@H]1O[C@@H]1CCC 238229015 572396195 /nfs/dbraw/zinc/39/61/95/572396195.db2.gz WAWZWLJHAPDTOC-NXEZZACHSA-N 0 0 170.252 2.313 10 30 AEEERN CCc1ccsc1CN[C@H](C)C#N 87310455 572414458 /nfs/dbraw/zinc/41/44/58/572414458.db2.gz NNORIXUFLCRAHO-MRVPVSSYSA-N 0 0 194.303 2.312 10 30 AEEERN C=C1C[C@H](O)C[C@@]2(C)CC(=O)CC[C@@H]12 307208048 572414815 /nfs/dbraw/zinc/41/48/15/572414815.db2.gz JANDGUAWLWJQIR-SDDRHHMPSA-N 0 0 194.274 2.073 10 30 AEEERN CCCCO[P@](=O)(CC)CC=O 238237189 572415407 /nfs/dbraw/zinc/41/54/07/572415407.db2.gz DVECMHCMERMWTB-GFCCVEGCSA-N 0 0 192.195 2.300 10 30 AEEERN C[C@@H]1CCc2ccoc2[C@H]1C=O 238418985 573507308 /nfs/dbraw/zinc/50/73/08/573507308.db2.gz FNLQLZIJCYRRKR-APPZFPTMSA-N 0 0 164.204 2.144 10 30 AEEERN C=C[C@@H]1CCC[C@H]1[C@H](O)CC 307292623 572423973 /nfs/dbraw/zinc/42/39/73/572423973.db2.gz MBDHLVQBSLHCLW-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN CC[C@@H](C#N)CNCc1ccccc1 258728258 573511952 /nfs/dbraw/zinc/51/19/52/573511952.db2.gz UYNUEMCDSYKMEL-NSHDSACASA-N 0 0 188.274 2.326 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@H](SC)C1 86604376 573512084 /nfs/dbraw/zinc/51/20/84/573512084.db2.gz ITZNGQZBRVYSRP-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN C#CCCCSCc1ccnn1C 308396972 573512089 /nfs/dbraw/zinc/51/20/89/573512089.db2.gz FLYKHTTUVMQCFS-UHFFFAOYSA-N 0 0 194.303 2.067 10 30 AEEERN N#Cc1n[nH]cc1-c1ccc(F)cc1 259482102 573512143 /nfs/dbraw/zinc/51/21/43/573512143.db2.gz RHMYTRXXFDZJST-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN C[C@@H](O)C/N=N/c1ccc(C#N)cc1 238422906 573512148 /nfs/dbraw/zinc/51/21/48/573512148.db2.gz QVHGLSSDPAAJOL-POSNJMFHSA-N 0 0 189.218 2.023 10 30 AEEERN CCO[C@@H](CC=O)[C@@H]1CC=CCC1 238256344 573512149 /nfs/dbraw/zinc/51/21/49/573512149.db2.gz XZLCJVYUYVZUDD-MNOVXSKESA-N 0 0 182.263 2.337 10 30 AEEERN Cc1cc(C#N)cnc1-c1ocnc1C 74236357 572437345 /nfs/dbraw/zinc/43/73/45/572437345.db2.gz PGHZHABMQMQCEM-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C[C@H](C#N)c1ncc(-c2ccncc2)o1 74236302 572437358 /nfs/dbraw/zinc/43/73/58/572437358.db2.gz ZKQYDDWXOCIATO-MRVPVSSYSA-N 0 0 199.213 2.364 10 30 AEEERN C[C@@H]1CC[C@H]([C@H](C)CCC=O)C[C@@H]1O 238804323 572438087 /nfs/dbraw/zinc/43/80/87/572438087.db2.gz SCXCVPSWJLXGGN-WYUUTHIRSA-N 0 0 198.306 2.399 10 30 AEEERN O=CC1(c2cccc(F)c2)CC(F)C1 257821914 573512203 /nfs/dbraw/zinc/51/22/03/573512203.db2.gz GCUWDNXGHHPHPX-UHFFFAOYSA-N 0 0 196.196 2.394 10 30 AEEERN CCS[C@@H]1CCC[C@](C#N)(NC)C1 86604285 573512367 /nfs/dbraw/zinc/51/23/67/573512367.db2.gz ADBRJBKDHHHGQA-ZJUUUORDSA-N 0 0 198.335 2.164 10 30 AEEERN CCON=C(C)[C@@H](C)CC 307776096 572498175 /nfs/dbraw/zinc/49/81/75/572498175.db2.gz HKDSQBUFRILIRA-ZETCQYMHSA-N 0 0 143.230 2.445 10 30 AEEERN N#Cc1csnc1-c1cscn1 74247859 572498188 /nfs/dbraw/zinc/49/81/88/572498188.db2.gz QXKTXISVZZRPNJ-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN C=C(C)c1cnc(OC)cc1C 307438688 572504609 /nfs/dbraw/zinc/50/46/09/572504609.db2.gz WDQMTQZFLGWMHR-UHFFFAOYSA-N 0 0 163.220 2.432 10 30 AEEERN C=C(Cl)CN1C[C@H](C)[C@H]1C 307410322 572504657 /nfs/dbraw/zinc/50/46/57/572504657.db2.gz IYQKVQJQTATHTF-POYBYMJQSA-N 0 0 159.660 2.079 10 30 AEEERN C[C@H](O)C#CC1=C[C@H](C)SC[C@H]1C 307409863 572504709 /nfs/dbraw/zinc/50/47/09/572504709.db2.gz ODLXMHIICBIMDK-UTLUCORTSA-N 0 0 196.315 2.068 10 30 AEEERN C=CCCCNC(=O)/C=C/CC 308044223 572505427 /nfs/dbraw/zinc/50/54/27/572505427.db2.gz OQSGSARSPRPMBK-SOFGYWHQSA-N 0 0 167.252 2.035 10 30 AEEERN CC(C)C#C[C@H]1[C@@H]2C(=O)CC[C@]12C 307489758 572505464 /nfs/dbraw/zinc/50/54/64/572505464.db2.gz GGMOIEBSDVLJHV-MVWJERBFSA-N 0 0 176.259 2.261 10 30 AEEERN CC[C@H](C=O)N(C)c1ccccc1 238290896 572532738 /nfs/dbraw/zinc/53/27/38/572532738.db2.gz VYBWZCKKJLKYCK-SNVBAGLBSA-N 0 0 177.247 2.100 10 30 AEEERN C=C1[C@@H]2CC[C@@H]3CCC(=O)[C@@H]1[C@@H]32 307478436 572532775 /nfs/dbraw/zinc/53/27/75/572532775.db2.gz NFXUVLOSOPDQJN-MKHNBGRSSA-N 0 0 162.232 2.178 10 30 AEEERN C[C@@H](CS)CSc1ncco1 235128523 572532841 /nfs/dbraw/zinc/53/28/41/572532841.db2.gz BFPQCAJRLXRBHN-LURJTMIESA-N 0 0 189.305 2.333 10 30 AEEERN CC[Si](CC)(CC)[C@H]1O[C@@H]1C=O 238275518 572507277 /nfs/dbraw/zinc/50/72/77/572507277.db2.gz JDIXIUIHZFQLFD-RKDXNWHRSA-N 0 0 186.327 2.000 10 30 AEEERN CS[C@@H]1CCC[C@@H](N[C@@H](C)C#N)C1 235119198 572521422 /nfs/dbraw/zinc/52/14/22/572521422.db2.gz HHPGOULNKVEBNV-IVZWLZJFSA-N 0 0 198.335 2.162 10 30 AEEERN Cc1ccccc1[C@@]1(C)C[C@@H]1C=O 257824014 573513286 /nfs/dbraw/zinc/51/32/86/573513286.db2.gz GOYIILJJWXKZAF-PWSUYJOCSA-N 0 0 174.243 2.472 10 30 AEEERN CN1CC[C@@H]1[C@H](C#N)C1CCCC1 250660584 572524377 /nfs/dbraw/zinc/52/43/77/572524377.db2.gz YQNPALMANKGPPE-GHMZBOCLSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@H](O)C1(C#Cc2ccccc2)CC1 238422585 573513849 /nfs/dbraw/zinc/51/38/49/573513849.db2.gz DITVPSAMPULSPH-NSHDSACASA-N 0 0 186.254 2.199 10 30 AEEERN Cc1nc2ccc(CS)cc2n1C 258724382 573513896 /nfs/dbraw/zinc/51/38/96/573513896.db2.gz YERZRIONSJPONN-UHFFFAOYSA-N 0 0 192.287 2.312 10 30 AEEERN C[C@@H](O)C/N=C/c1ccc(Cl)cc1 238422840 573513938 /nfs/dbraw/zinc/51/39/38/573513938.db2.gz MRALRHHKXUWDLA-LQGZHCLWSA-N 0 0 197.665 2.140 10 30 AEEERN CCC[C@H](C)C=NOC 307793607 572537231 /nfs/dbraw/zinc/53/72/31/572537231.db2.gz CBEGWJZUDUHVDN-ZETCQYMHSA-N 0 0 129.203 2.055 10 30 AEEERN C=C(C)[C@H](O)c1cccc(OC)c1F 307443365 572537467 /nfs/dbraw/zinc/53/74/67/572537467.db2.gz BTSPNACJTZLEKC-NSHDSACASA-N 0 0 196.221 2.444 10 30 AEEERN C=CCC[C@@]1(O)CC[C@H](CO)C1(C)C 308610133 573514048 /nfs/dbraw/zinc/51/40/48/573514048.db2.gz XYLDNUDKILBVIH-ZYHUDNBSSA-N 0 0 198.306 2.112 10 30 AEEERN Cc1cc(C[C@H](C)C=O)cs1 83453426 573518753 /nfs/dbraw/zinc/51/87/53/573518753.db2.gz HNFVVFOSBFMAGO-ZETCQYMHSA-N 0 0 168.261 2.434 10 30 AEEERN CCCc1ccc(CNCC#N)cc1 258736960 573518806 /nfs/dbraw/zinc/51/88/06/573518806.db2.gz HNBUFKKFVRCYHE-UHFFFAOYSA-N 0 0 188.274 2.252 10 30 AEEERN CC1C(=O)C[C@@H](C)[C@@H](C)C1=O 238424586 573518876 /nfs/dbraw/zinc/51/88/76/573518876.db2.gz PKCDQQBGNAMOAZ-PHDIDXHHSA-N 0 0 154.209 2.063 10 30 AEEERN CN[C@H](S)c1cc(C)ccc1OC 259485216 573518884 /nfs/dbraw/zinc/51/88/84/573518884.db2.gz QYBAFOMTMGPLRT-SNVBAGLBSA-N 0 0 197.303 2.151 10 30 AEEERN COc1ccc(N(C)[C@H](C)C#N)cc1 258733643 573518940 /nfs/dbraw/zinc/51/89/40/573518940.db2.gz HETKLZUVRWUQIG-SECBINFHSA-N 0 0 190.246 2.043 10 30 AEEERN Cc1ccc2cc(C=NO)ccc2n1 379488138 572615630 /nfs/dbraw/zinc/61/56/30/572615630.db2.gz LAXPXEUDIFWWLT-UHFFFAOYSA-N 0 0 186.214 2.351 10 30 AEEERN C=CC[C@]1(C=O)CCC[C@@H](C)C1=O 238423723 573518985 /nfs/dbraw/zinc/51/89/85/573518985.db2.gz PLBHYIRJCFHBRL-MWLCHTKSSA-N 0 0 180.247 2.137 10 30 AEEERN Cc1ccc([C@@H]2O[C@H]2C)c(O)c1 238423749 573519008 /nfs/dbraw/zinc/51/90/08/573519008.db2.gz CYGPIDDVIFWYQK-OIBJUYFYSA-N 0 0 164.204 2.160 10 30 AEEERN COCc1ccccc1[C@@H](C#N)OC 85091163 572657794 /nfs/dbraw/zinc/65/77/94/572657794.db2.gz MFBQFBIGBMYRLI-LLVKDONJSA-N 0 0 191.230 2.044 10 30 AEEERN C#CCC(C)(C)CC(=O)OCCC 116195560 572662604 /nfs/dbraw/zinc/66/26/04/572662604.db2.gz QZLWYAWBRHRLAH-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN CC1=CC[C@H](C)C=CCC1=O 307860615 572662642 /nfs/dbraw/zinc/66/26/42/572662642.db2.gz MDTMGNCBYITQNZ-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN CN(CC#N)c1coc2ccccc12 258750185 573523460 /nfs/dbraw/zinc/52/34/60/573523460.db2.gz INPXNXXURRCNEN-UHFFFAOYSA-N 0 0 186.214 2.393 10 30 AEEERN Cc1ccc(C)c(CN[C@H](C)C#N)c1 258741945 573523462 /nfs/dbraw/zinc/52/34/62/573523462.db2.gz HYEXMTOCCPPFFH-LLVKDONJSA-N 0 0 188.274 2.305 10 30 AEEERN C=C[C@@H](C[C@@H](C)O)Oc1ccccc1 308614096 573526466 /nfs/dbraw/zinc/52/64/66/573526466.db2.gz ZJIFAYQYFHNZJF-MNOVXSKESA-N 0 0 192.258 2.391 10 30 AEEERN N#Cc1n[nH]cc1C1CCCCC1 259488335 573530531 /nfs/dbraw/zinc/53/05/31/573530531.db2.gz SCVNPCAXKWEVIL-UHFFFAOYSA-N 0 0 175.235 2.329 10 30 AEEERN Cc1ccsc1NC(=O)CCC#N 258758352 573530532 /nfs/dbraw/zinc/53/05/32/573530532.db2.gz VKKRCWUDFWRCGK-UHFFFAOYSA-N 0 0 194.259 2.299 10 30 AEEERN CSC1(C#N)CC(C)C1 83484142 573530595 /nfs/dbraw/zinc/53/05/95/573530595.db2.gz BPALGUZXJBYCEB-UHFFFAOYSA-N 0 0 141.239 2.042 10 30 AEEERN C/C=C1/C(=O)C[C@@H]2CCC[C@@H]12 307863555 572663312 /nfs/dbraw/zinc/66/33/12/572663312.db2.gz OOKOBJNIAYNUBG-XFKLZBFNSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@@H]1C[C@@H]([C@H](C)O)C1(C)C 306418343 572663341 /nfs/dbraw/zinc/66/33/41/572663341.db2.gz UZYSIKWEFUKRAZ-YIZRAAEISA-N 0 0 154.253 2.216 10 30 AEEERN COc1cccc(OC(C)(C)C=O)c1 238383095 572663362 /nfs/dbraw/zinc/66/33/62/572663362.db2.gz XXSUIWMFOKFQPP-UHFFFAOYSA-N 0 0 194.230 2.052 10 30 AEEERN N#Cc1csc2scnc12 74337482 572663426 /nfs/dbraw/zinc/66/34/26/572663426.db2.gz AUFWNPFKKSKJPV-UHFFFAOYSA-N 0 0 166.230 2.229 10 30 AEEERN CCCSC1(C#N)CCOCC1 83486564 573530697 /nfs/dbraw/zinc/53/06/97/573530697.db2.gz UBVKPRCLJSWONU-UHFFFAOYSA-N 0 0 185.292 2.202 10 30 AEEERN CC#CCNc1c(F)cccc1OC 306506578 572676704 /nfs/dbraw/zinc/67/67/04/572676704.db2.gz GZBLXPUYUIFYOK-UHFFFAOYSA-N 0 0 193.221 2.270 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc2c(c1)ncn2C 259489962 573530728 /nfs/dbraw/zinc/53/07/28/573530728.db2.gz YXINGOZZMJWNSC-CPCISQLKSA-N 0 0 188.230 2.033 10 30 AEEERN C#C[C@@H](O)c1ccc(SCC)cc1 306529589 572678117 /nfs/dbraw/zinc/67/81/17/572678117.db2.gz IOGVQVVPQZTGRI-LLVKDONJSA-N 0 0 192.283 2.465 10 30 AEEERN CN[C@]1(C#N)CC[C@@H](SC(C)C)C1 86624356 573531423 /nfs/dbraw/zinc/53/14/23/573531423.db2.gz BNHDNXOJOZRHGO-NXEZZACHSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@@H]1CC=CC[C@H]1CC=O 238429849 573531428 /nfs/dbraw/zinc/53/14/28/573531428.db2.gz OVISGLGXVROIRW-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=C(CC[C@@H](C)O)C(=O)CCC1 238429714 573531435 /nfs/dbraw/zinc/53/14/35/573531435.db2.gz DFWWLTNBLDBPHJ-SECBINFHSA-N 0 0 182.263 2.217 10 30 AEEERN C[C@@H]1CC=CC[C@@H]1CC=O 238429356 573531455 /nfs/dbraw/zinc/53/14/55/573531455.db2.gz OVISGLGXVROIRW-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc2c(c1)ncn2C 259489965 573531587 /nfs/dbraw/zinc/53/15/87/573531587.db2.gz YXINGOZZMJWNSC-WRWORJQWSA-N 0 0 188.230 2.033 10 30 AEEERN C=C(Br)CCC[C@H](C)O 238429364 573531597 /nfs/dbraw/zinc/53/15/97/573531597.db2.gz HMNFKKRIKLLJHX-ZETCQYMHSA-N 0 0 193.084 2.446 10 30 AEEERN CC/C(C[C@@H](C)CC)=N\CCO 33609447 573531610 /nfs/dbraw/zinc/53/16/10/573531610.db2.gz OSNSQCLFYFFSMC-YHTNPHCKSA-N 0 0 171.284 2.266 10 30 AEEERN C=C(C)[C@H](O)CC(C)(C)SC 307665576 572680600 /nfs/dbraw/zinc/68/06/00/572680600.db2.gz AYRLBWWZQZKWMG-MRVPVSSYSA-N 0 0 174.309 2.455 10 30 AEEERN C[C@H](CO)CS[C@@H]1CCC[C@@H]1C#N 85138409 572680624 /nfs/dbraw/zinc/68/06/24/572680624.db2.gz YCFWGLHGRWNCDZ-OPRDCNLKSA-N 0 0 199.319 2.040 10 30 AEEERN C=C[C@@H]1C(=O)N[C@H]1/C=C\CCCC 308093994 572680704 /nfs/dbraw/zinc/68/07/04/572680704.db2.gz VRWNFGQTOOFAHK-OWSSEVEYSA-N 0 0 179.263 2.033 10 30 AEEERN C=C(C)[C@H]1C=C[C@@H](O)[C@@H](C)C1 307693506 572680712 /nfs/dbraw/zinc/68/07/12/572680712.db2.gz UBTIZKNMXAJQJG-LPEHRKFASA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@H](O)[C@@H]1CC=CC[C@@H]1C=C 307657425 572680783 /nfs/dbraw/zinc/68/07/83/572680783.db2.gz ADCJPZGVWUCLEG-AXFHLTTASA-N 0 0 164.248 2.302 10 30 AEEERN C=C1C[C@@H](C[C@H](C)O)O[C@@H](/C=C/C)C1 307642517 572680863 /nfs/dbraw/zinc/68/08/63/572680863.db2.gz KASYXESNAWNWBR-NJQGNMFYSA-N 0 0 196.290 2.437 10 30 AEEERN C[C@H]1CCCC[C@@](C)(C#N)C1=O 238429372 573531668 /nfs/dbraw/zinc/53/16/68/573531668.db2.gz JOXNCMJIHSOCJS-WPRPVWTQSA-N 0 0 165.236 2.295 10 30 AEEERN C=C[C@H](C)[C@H]1C=C[C@@H](CO)CC1 306534325 572684349 /nfs/dbraw/zinc/68/43/49/572684349.db2.gz OFJKVRGVFMFSQQ-AXFHLTTASA-N 0 0 166.264 2.383 10 30 AEEERN CS[C@@H]1CC[C@](C#N)(NC(C)C)C1 86624414 573535411 /nfs/dbraw/zinc/53/54/11/573535411.db2.gz FGHSKSONHOUOFA-ZJUUUORDSA-N 0 0 198.335 2.162 10 30 AEEERN CC[C@@H](C)SC1(C#N)CC(=O)C1 83498097 573535431 /nfs/dbraw/zinc/53/54/31/573535431.db2.gz OCRIOUCCZUXYIY-SSDOTTSWSA-N 0 0 183.276 2.143 10 30 AEEERN C[C@@H]1CC=C[C@H](CC=O)C1 238431056 573535470 /nfs/dbraw/zinc/53/54/70/573535470.db2.gz AGCXLBLPLLNIFE-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1cnc(N)c(-c2ccccc2)c1 238677167 573535472 /nfs/dbraw/zinc/53/54/72/573535472.db2.gz WDGUWTARRZFUHM-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CN[C@@]1(C#N)CC[C@H](SC(C)C)C1 86624366 573535516 /nfs/dbraw/zinc/53/55/16/573535516.db2.gz BNHDNXOJOZRHGO-UWVGGRQHSA-N 0 0 198.335 2.162 10 30 AEEERN C=C[C@@H]1CC(=O)[C@H](C)C1(C)C 238434172 573535610 /nfs/dbraw/zinc/53/56/10/573535610.db2.gz PWQIIXUBLKLIDF-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN Cn1nc(Cl)c2cccc(C#N)c21 258053697 573535627 /nfs/dbraw/zinc/53/56/27/573535627.db2.gz KUVZTWMJEIZQNQ-UHFFFAOYSA-N 0 0 191.621 2.098 10 30 AEEERN CCC(=NNC)c1cccs1 307873848 572703766 /nfs/dbraw/zinc/70/37/66/572703766.db2.gz MZFLMANXGMJWKJ-UHFFFAOYSA-N 0 0 168.265 2.082 10 30 AEEERN C=C[C@@H](C)[C@H](O)Cc1ccco1 238437523 572720128 /nfs/dbraw/zinc/72/01/28/572720128.db2.gz WMQFWSYNFIYRJM-PSASIEDQSA-N 0 0 166.220 2.005 10 30 AEEERN C[C@H]1C(=O)C[C@@H](CC#N)C1(C)C 238434183 573535659 /nfs/dbraw/zinc/53/56/59/573535659.db2.gz AWEMCWLDQTVADF-JGVFFNPUSA-N 0 0 165.236 2.151 10 30 AEEERN C=CC[C@H](CC[C@@H](C)C=O)OC(C)=O 238437001 572721643 /nfs/dbraw/zinc/72/16/43/572721643.db2.gz ZIIVBXPJTCQOLE-MWLCHTKSSA-N 0 0 198.262 2.109 10 30 AEEERN C=C[C@@H](C)/N=C/c1ccccc1O 238434114 573535718 /nfs/dbraw/zinc/53/57/18/573535718.db2.gz ITENMTCBVYPIDD-YXYQAXARSA-N 0 0 175.231 2.386 10 30 AEEERN CCCN(CC)C(C)(C)C#N 307634233 572734240 /nfs/dbraw/zinc/73/42/40/572734240.db2.gz PFZNTVPVNVAWJO-UHFFFAOYSA-N 0 0 154.257 2.020 10 30 AEEERN C=CC[C@H](NN)c1ccc(Cl)o1 236190107 572735998 /nfs/dbraw/zinc/73/59/98/572735998.db2.gz JXXXHQDUCSIANA-LURJTMIESA-N 0 0 186.642 2.014 10 30 AEEERN C=CC[C@H](O)/C=C/C=C(C)C 207946133 572736002 /nfs/dbraw/zinc/73/60/02/572736002.db2.gz KTCASBKJDCTFPG-YVFTVSHDSA-N 0 0 152.237 2.446 10 30 AEEERN C=C[C@@H](C(N)=O)[C@@H](C)c1ccccc1 238476382 572736010 /nfs/dbraw/zinc/73/60/10/572736010.db2.gz VQTPSOYRAPXSNQ-GXSJLCMTSA-N 0 0 189.258 2.078 10 30 AEEERN C=C(C)CC(=O)[C@@H](CC)OCC 131797577 573536210 /nfs/dbraw/zinc/53/62/10/573536210.db2.gz ITIMSSCYRZAKQQ-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN N#Cc1cc(N)c2ccsc2c1F 306645244 573536222 /nfs/dbraw/zinc/53/62/22/573536222.db2.gz FSZMXFLYYXTSEJ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=C(C)CC[C@@H]1NC(=O)CC[C@H]1C 238434319 573536264 /nfs/dbraw/zinc/53/62/64/573536264.db2.gz WLBSTERJVYSNEC-ZJUUUORDSA-N 0 0 181.279 2.257 10 30 AEEERN CC(C)CSC1(C#N)CC(=O)C1 83491227 573536280 /nfs/dbraw/zinc/53/62/80/573536280.db2.gz PEFMITHHBROMKS-UHFFFAOYSA-N 0 0 183.276 2.001 10 30 AEEERN C#CCCC(=O)[C@H](CCC)OCC 131827181 573536299 /nfs/dbraw/zinc/53/62/99/573536299.db2.gz LDSCNJBXMXMLGI-NSHDSACASA-N 0 0 182.263 2.174 10 30 AEEERN CCC/C=C\C(=O)C(F)(F)F 143886523 573536313 /nfs/dbraw/zinc/53/63/13/573536313.db2.gz AIZRZWZDKKMKSQ-PLNGDYQASA-N 0 0 166.142 2.474 10 30 AEEERN CN(C)[C@@H](CC#N)c1ccccc1F 259494131 573536370 /nfs/dbraw/zinc/53/63/70/573536370.db2.gz LIWQIOWTCALMNH-NSHDSACASA-N 0 0 192.237 2.342 10 30 AEEERN C[C@@H](CC=O)c1ccc(F)cc1O 258053721 573536376 /nfs/dbraw/zinc/53/63/76/573536376.db2.gz KVNZGZWKSJIPLV-ZETCQYMHSA-N 0 0 182.194 2.224 10 30 AEEERN Cc1c(C)c2c(c(C)c1C#N)C[C@@H]2O 135758921 573536391 /nfs/dbraw/zinc/53/63/91/573536391.db2.gz QJWATDPTAPRDBN-NSHDSACASA-N 0 0 187.242 2.073 10 30 AEEERN C=C[C@H](O)[C@H]1C=CC[C@@H](C)C1 238431128 573536404 /nfs/dbraw/zinc/53/64/04/573536404.db2.gz AIHUHQWBWKDVER-UTLUCORTSA-N 0 0 152.237 2.136 10 30 AEEERN CCOc1cccc2oc(C#N)nc12 306647538 573536463 /nfs/dbraw/zinc/53/64/63/573536463.db2.gz GMWINKBADXZUTG-UHFFFAOYSA-N 0 0 188.186 2.098 10 30 AEEERN O=CC/C=C\Cc1cccc(O)c1 258053964 573536476 /nfs/dbraw/zinc/53/64/76/573536476.db2.gz DGOJLMKJKYCUQA-UPHRSURJSA-N 0 0 176.215 2.080 10 30 AEEERN CCC=C1C=C(C)C(=O)C1 224241803 573536549 /nfs/dbraw/zinc/53/65/49/573536549.db2.gz GICMDLSZFJIJKL-XBXARRHUSA-N 0 0 136.194 2.242 10 30 AEEERN CN[C@H](CC#N)c1c[nH]c2ccccc12 259494916 573536573 /nfs/dbraw/zinc/53/65/73/573536573.db2.gz ROABRDPTOVAKFH-LLVKDONJSA-N 0 0 199.257 2.342 10 30 AEEERN CCCN[C@H](C#N)c1csc(C)n1 126437649 573536686 /nfs/dbraw/zinc/53/66/86/573536686.db2.gz NCINBXWXYHAFPG-MRVPVSSYSA-N 0 0 195.291 2.016 10 30 AEEERN C#C[C@H]([NH2+]CC)c1sccc1OC 130321002 573541524 /nfs/dbraw/zinc/54/15/24/573541524.db2.gz OHEUWAGPEKQYFX-QMMMGPOBSA-N 0 0 195.287 2.041 10 30 AEEERN C=CCC[C@H](C)[C@H](C)CO 238435421 573541618 /nfs/dbraw/zinc/54/16/18/573541618.db2.gz KLGGPFZFRIWKPF-DTWKUNHWSA-N 0 0 142.242 2.217 10 30 AEEERN C=C[C@@H](C)C(Cl)(Cl)C=O 238434545 573541623 /nfs/dbraw/zinc/54/16/23/573541623.db2.gz FJAUILNBWQXWDT-RXMQYKEDSA-N 0 0 167.035 2.181 10 30 AEEERN CC#C[C@@H](O)CCCOCC(C)(C)C 308615035 573541648 /nfs/dbraw/zinc/54/16/48/573541648.db2.gz ZOPHBBBLFMISLY-LLVKDONJSA-N 0 0 198.306 2.214 10 30 AEEERN C=C[C@@H](C)C(C)(C)C(C)=O 238434476 573541662 /nfs/dbraw/zinc/54/16/62/573541662.db2.gz KGBIPUAMOURZJP-SSDOTTSWSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@H]1C[C@]1(C#N)c1ccc(O)cc1 259499769 573541703 /nfs/dbraw/zinc/54/17/03/573541703.db2.gz AOGBVKITWUVPQG-GZMMTYOYSA-N 0 0 173.215 2.193 10 30 AEEERN N#CCCCC[C@@H]1CCCO1 83530242 573544208 /nfs/dbraw/zinc/54/42/08/573544208.db2.gz WWFVSPNPDBQPJD-SECBINFHSA-N 0 0 153.225 2.249 10 30 AEEERN C/C=C\C[C@@H](O)C#Cc1ccccc1 308619125 573544209 /nfs/dbraw/zinc/54/42/09/573544209.db2.gz CPULKGMHBBLRJF-XQJDBVBESA-N 0 0 186.254 2.365 10 30 AEEERN C[NH2+][C@@H](C=O)c1ccc2ccccc2c1 259118171 573545553 /nfs/dbraw/zinc/54/55/53/573545553.db2.gz BBZTZAPZDHXCJK-ZDUSSCGKSA-N 0 0 199.253 2.299 10 30 AEEERN C/C=C(/C)[C@H](OCC)[C@@H](C)C=O 307905439 572749815 /nfs/dbraw/zinc/74/98/15/572749815.db2.gz OTAOMQGSUUNNFY-VAJAEUGUSA-N 0 0 170.252 2.193 10 30 AEEERN C=CC(=C)[C@@H](O)C(C)(C)C 196884584 572751695 /nfs/dbraw/zinc/75/16/95/572751695.db2.gz QEASBMGTHNRMCT-MRVPVSSYSA-N 0 0 140.226 2.136 10 30 AEEERN C=C1CC[C@H]2[C@H]1C(=O)C2(C)C 224283210 573545623 /nfs/dbraw/zinc/54/56/23/573545623.db2.gz AIWUCAJTUHTXMC-YUMQZZPRSA-N 0 0 150.221 2.178 10 30 AEEERN COc1ccc([C@H]2CC[C@H]2C=O)cc1 257824777 573545632 /nfs/dbraw/zinc/54/56/32/573545632.db2.gz GYOMBEOIBSFSOV-CMPLNLGQSA-N 0 0 190.242 2.388 10 30 AEEERN C=C1CC[C@@H]2[C@@H]1C(=O)C2(C)C 224283264 573541483 /nfs/dbraw/zinc/54/14/83/573541483.db2.gz AIWUCAJTUHTXMC-HTQZYQBOSA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1ccccc1N 238435846 573545882 /nfs/dbraw/zinc/54/58/82/573545882.db2.gz XWPBKWXFBLDOKO-LDYMZIIASA-N 0 0 177.247 2.124 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H](NC(N)=O)C1 238435571 573546028 /nfs/dbraw/zinc/54/60/28/573546028.db2.gz WRIAHSSGPRHCHJ-BBBLOLIVSA-N 0 0 196.294 2.036 10 30 AEEERN C[C@@]1(COCc2ccccc2F)CO1 85501949 572755490 /nfs/dbraw/zinc/75/54/90/572755490.db2.gz ILPZBOFLPVMDOO-LLVKDONJSA-N 0 0 196.221 2.131 10 30 AEEERN N#CCCCC/C=C\[C@@H]1C[C@H]1C=O 308116097 572760281 /nfs/dbraw/zinc/76/02/81/572760281.db2.gz VSDZFTJICDOAMW-FPNIURKZSA-N 0 0 177.247 2.462 10 30 AEEERN C/C=C\C=C\OCC(C)(C)C=O 307911784 572760427 /nfs/dbraw/zinc/76/04/27/572760427.db2.gz JERUAGHAJYOSAA-SCFJQAPRSA-N 0 0 168.236 2.318 10 30 AEEERN CCCC(=O)C(=O)c1ccc(C)cc1 308628271 573549239 /nfs/dbraw/zinc/54/92/39/573549239.db2.gz PYWXEEPEFUGHLH-MVZIDQBPSA-N 0 0 190.242 2.174 10 30 AEEERN C=C(C)[C@@H](O)/C(=C/CCCCC)CO 308629446 573549247 /nfs/dbraw/zinc/54/92/47/573549247.db2.gz RRMMASAGBKQUNE-JATZPVMKSA-N 0 0 198.306 2.422 10 30 AEEERN C=C[C@@H](O)C1=CC[C@H](C)CC1 238439150 573554655 /nfs/dbraw/zinc/55/46/55/573554655.db2.gz MWIFZVKGIQNJRC-WCBMZHEXSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@@H]1[C@H](C#N)[C@@H]1c1ccco1 259506657 573557027 /nfs/dbraw/zinc/55/70/27/573557027.db2.gz BKJYCQPWKITJSZ-BKPPORCPSA-N 0 0 147.177 2.153 10 30 AEEERN N#Cc1oncc1-c1ccccc1F 259506733 573557044 /nfs/dbraw/zinc/55/70/44/573557044.db2.gz VLQNSXKRRIFTPH-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN C=C[C@@H](C)[C@](C)(O)c1ccccc1N 238438417 573557145 /nfs/dbraw/zinc/55/71/45/573557145.db2.gz WWIQEZZSONORBC-SKDRFNHKSA-N 0 0 191.274 2.298 10 30 AEEERN CC1=C(C)C[C@@H](C=NOCCO)CC1 308619812 573557166 /nfs/dbraw/zinc/55/71/66/573557166.db2.gz DFXZVSDNGKLUMA-NSHDSACASA-N 0 0 197.278 2.118 10 30 AEEERN CC(C)(C#N)c1cc2ccccc2nn1 259506352 573557219 /nfs/dbraw/zinc/55/72/19/573557219.db2.gz OMGGAKXFICVSNX-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN C[C@@H](C=NNC1CC1)C(C)(C)C 308117582 572776973 /nfs/dbraw/zinc/77/69/73/572776973.db2.gz NGYDUNFLIYCATC-QMMMGPOBSA-N 0 0 168.284 2.406 10 30 AEEERN CCO/C(=C\C#CC[C@H](C)O)CC 308117619 572777761 /nfs/dbraw/zinc/77/77/61/572777761.db2.gz CFTFQGDBUYSPDQ-RGAIUGGKSA-N 0 0 182.263 2.091 10 30 AEEERN C=C1C[C@H](C)[C@@H](C)C[C@@H]1CO 238439023 573557277 /nfs/dbraw/zinc/55/72/77/573557277.db2.gz LTAIITAXFGVBJZ-OYNCUSHFSA-N 0 0 154.253 2.217 10 30 AEEERN C=C(OCC)[C@H](O)/C=C\CCC 307930704 572777776 /nfs/dbraw/zinc/77/77/76/572777776.db2.gz APFAKRNSCOYLLJ-GQYWMQPJSA-N 0 0 170.252 2.254 10 30 AEEERN C[C@@H]([C@@H](O)CCC=O)C(C)(C)C 307929973 572777788 /nfs/dbraw/zinc/77/77/88/572777788.db2.gz BNFGIWVYNXSUGU-IUCAKERBSA-N 0 0 172.268 2.009 10 30 AEEERN CC[C@@H](C)CC(=O)C1=COCC1 308118293 572777815 /nfs/dbraw/zinc/77/78/15/572777815.db2.gz NJEMICNJKWSSII-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN C#CC[C@@](O)(CC)[C@@H]1CC1(C)C 306873416 572787191 /nfs/dbraw/zinc/78/71/91/572787191.db2.gz XMFBOFUMDMCUOZ-KOLCDFICSA-N 0 0 166.264 2.197 10 30 AEEERN N#Cc1cccn1CCCCF 307932060 572787203 /nfs/dbraw/zinc/78/72/03/572787203.db2.gz AAKNBIWEEAZRSI-UHFFFAOYSA-N 0 0 166.199 2.109 10 30 AEEERN C=CCSC[C@](C)(C#N)NCCC 393535929 573559514 /nfs/dbraw/zinc/55/95/14/573559514.db2.gz DPNGLHNHEKZFSB-JTQLQIEISA-N 0 0 198.335 2.187 10 30 AEEERN Cc1cc(C#Cc2ccccc2)ncn1 585144889 573559826 /nfs/dbraw/zinc/55/98/26/573559826.db2.gz MAPDAPDLWCJKEZ-UHFFFAOYSA-N 0 0 194.237 2.185 10 30 AEEERN C=C(C)CN[C@H]1CCCC1(F)F 306891241 572783539 /nfs/dbraw/zinc/78/35/39/572783539.db2.gz ABYSEBAOMTUZQI-QMMMGPOBSA-N 0 0 175.222 2.340 10 30 AEEERN C=CCCCCN=C(NC#N)SC 308128929 572784720 /nfs/dbraw/zinc/78/47/20/572784720.db2.gz COTKMXORDZARLD-UHFFFAOYSA-N 0 0 197.307 2.132 10 30 AEEERN Cc1ccc2[nH]c(C)c(C#N)c(=O)c2c1 238533922 572785534 /nfs/dbraw/zinc/78/55/34/572785534.db2.gz YZFATSZKQCCIDR-UHFFFAOYSA-N 0 0 198.225 2.429 10 30 AEEERN C=CCSCC(=O)OCC(C)C 308131023 572787152 /nfs/dbraw/zinc/78/71/52/572787152.db2.gz XJDOWXVCZJWUEJ-UHFFFAOYSA-N 0 0 188.292 2.105 10 30 AEEERN CC(C)C[C@@H](C)C(=O)O[C@H](C)C#N 308135056 572817728 /nfs/dbraw/zinc/81/77/28/572817728.db2.gz DSVVQXLRLNGZLB-RKDXNWHRSA-N 0 0 183.251 2.124 10 30 AEEERN N#CCc1cc(-c2cc[nH]c2)ns1 259508977 573561134 /nfs/dbraw/zinc/56/11/34/573561134.db2.gz VSBPETNXXWAIHM-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN C#CC[C@H](O)[C@@H](O)CCCCCCC 117880970 572795264 /nfs/dbraw/zinc/79/52/64/572795264.db2.gz GZCFGGVLYVGATN-RYUDHWBXSA-N 0 0 198.306 2.092 10 30 AEEERN Cn1ccc2cc(F)cc(C#N)c21 259509503 573561366 /nfs/dbraw/zinc/56/13/66/573561366.db2.gz BSQFFKBCYDZKPI-UHFFFAOYSA-N 0 0 174.178 2.189 10 30 AEEERN N#Cc1noc(C2CC2)c1Cl 75397576 572839743 /nfs/dbraw/zinc/83/97/43/572839743.db2.gz UKKJULALCSPRAE-UHFFFAOYSA-N 0 0 168.583 2.077 10 30 AEEERN C=C[C@@H]1[C@@H]2C(C)(C)C(=O)C[C@@]21C 306995459 572839762 /nfs/dbraw/zinc/83/97/62/572839762.db2.gz QIQVXECAVUCUJX-BCMRRPTOSA-N 0 0 164.248 2.424 10 30 AEEERN C=C[C@@H]([NH3+])c1cc2c(C#N)cccc2[nH]1 238580369 572827868 /nfs/dbraw/zinc/82/78/68/572827868.db2.gz JQLOTMDKKZNRJE-SNVBAGLBSA-N 0 0 197.241 2.225 10 30 AEEERN C=C(C)COc1cc(C)c(C)nn1 306934154 572827900 /nfs/dbraw/zinc/82/79/00/572827900.db2.gz DZKVELHSUBLNKV-UHFFFAOYSA-N 0 0 178.235 2.048 10 30 AEEERN C=CCn1ccc(C(=O)C2CC2)c1 85844432 572827943 /nfs/dbraw/zinc/82/79/43/572827943.db2.gz IEEMWJOMLZRSTA-UHFFFAOYSA-N 0 0 175.231 2.267 10 30 AEEERN C=CCC[C@@H](O)[C@H](O)c1ccccc1 236542753 572827945 /nfs/dbraw/zinc/82/79/45/572827945.db2.gz PZXHPIRYTILOPX-VXGBXAGGSA-N 0 0 192.258 2.047 10 30 AEEERN C=CCn1ccc([C@@H](O)C(C)C)c1 85843124 572828745 /nfs/dbraw/zinc/82/87/45/572828745.db2.gz QSEGTCMOHRFFLJ-NSHDSACASA-N 0 0 179.263 2.364 10 30 AEEERN C#CCCNc1sccc1[N+](=O)[O-] 306972984 572828761 /nfs/dbraw/zinc/82/87/61/572828761.db2.gz UZCXAYQEUGLTML-UHFFFAOYSA-N 0 0 196.231 2.092 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)Cc1ccccc1 85890879 572834879 /nfs/dbraw/zinc/83/48/79/572834879.db2.gz NZLPPIPBMZGUFZ-RYUDHWBXSA-N 0 0 189.258 2.140 10 30 AEEERN CC#CCC[C@@H](O)C1(SC)CC1 307955189 572834897 /nfs/dbraw/zinc/83/48/97/572834897.db2.gz DYPXCGWVLODWLV-SECBINFHSA-N 0 0 184.304 2.046 10 30 AEEERN Cn1cc(CC#N)nc1-c1ccccc1 118362758 572834902 /nfs/dbraw/zinc/83/49/02/572834902.db2.gz LXMVOKXYJZOBPJ-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN CCC(CC)[C@H](O)[C@H](C#N)CC 85887219 572835707 /nfs/dbraw/zinc/83/57/07/572835707.db2.gz ZXXILUGXCLINQY-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@H](C#N)[C@@H](O)CC(C)(C)C 85892797 572835801 /nfs/dbraw/zinc/83/58/01/572835801.db2.gz BQFOUGFMTCUQTB-BDAKNGLRSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)CCSC 85891749 572835841 /nfs/dbraw/zinc/83/58/41/572835841.db2.gz LHDDJBYBUSXMRL-BDAKNGLRSA-N 0 0 187.308 2.040 10 30 AEEERN C#CCCNc1cc(C)nc(C)c1C#N 87975122 572838270 /nfs/dbraw/zinc/83/82/70/572838270.db2.gz ZQHKNQLIYDSQMJ-UHFFFAOYSA-N 0 0 199.257 2.005 10 30 AEEERN COc1cc(C)cc(C)c1C[C@@H]1CO1 234873995 572838359 /nfs/dbraw/zinc/83/83/59/572838359.db2.gz MEMDCJCQWAYVGO-SNVBAGLBSA-N 0 0 192.258 2.253 10 30 AEEERN C=CCSC[C@@](C)(C#N)NCCC 393535930 573561827 /nfs/dbraw/zinc/56/18/27/573561827.db2.gz DPNGLHNHEKZFSB-SNVBAGLBSA-N 0 0 198.335 2.187 10 30 AEEERN C=C(C)[C@H](O)[C@H](OC(C)C)C(=C)C 308150047 572844107 /nfs/dbraw/zinc/84/41/07/572844107.db2.gz GYGZAYNVYWEMPA-WDEREUQCSA-N 0 0 184.279 2.293 10 30 AEEERN C=CC[C@@]12CCC[C@@](C)(C[C@H](O)C1)O2 306938930 572844347 /nfs/dbraw/zinc/84/43/47/572844347.db2.gz GQQYYVGROHPQQN-SDDRHHMPSA-N 0 0 196.290 2.415 10 30 AEEERN CC[C@@H]1C[C@@H](CC#N)CCO1 107398374 573562952 /nfs/dbraw/zinc/56/29/52/573562952.db2.gz GGKHANOWTOCBJD-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CSc1c(C#N)ccc2c1OCO2 258061823 573562954 /nfs/dbraw/zinc/56/29/54/573562954.db2.gz LLXPYJVGJLOANW-UHFFFAOYSA-N 0 0 193.227 2.009 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)NCC(=C)C 308150368 572844360 /nfs/dbraw/zinc/84/43/60/572844360.db2.gz NXFIZAMHYNVUQM-ZJUUUORDSA-N 0 0 181.279 2.137 10 30 AEEERN C=CCOC(=O)C[C@@H](CC)SC 307963401 572844369 /nfs/dbraw/zinc/84/43/69/572844369.db2.gz ZCXOROYUFRWMGX-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN OCCCC[C@@H]1CCCCC1=NO 308151058 572844408 /nfs/dbraw/zinc/84/44/08/572844408.db2.gz IBFYXVATSPTGIT-VIFPVBQESA-N 0 0 185.267 2.169 10 30 AEEERN C=C(C)[C@@H](O)c1cccc(COC)c1 86021656 572844663 /nfs/dbraw/zinc/84/46/63/572844663.db2.gz WMPNGIAAHZRNOJ-GFCCVEGCSA-N 0 0 192.258 2.443 10 30 AEEERN C=CC[C@H](O)[C@H](O)CCCCCC 308150658 572844680 /nfs/dbraw/zinc/84/46/80/572844680.db2.gz HIYYSZLTBVULDD-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN CC(C)CC=NN[C@@H]1CCSC1 307954751 572844696 /nfs/dbraw/zinc/84/46/96/572844696.db2.gz DMCNZQMVLAYJDR-SECBINFHSA-N 0 0 186.324 2.113 10 30 AEEERN C=C(C)[C@H](NCCC)c1ncccn1 86027335 572844699 /nfs/dbraw/zinc/84/46/99/572844699.db2.gz KHXBURZYSWLJFH-JTQLQIEISA-N 0 0 191.278 2.093 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)NCC(=C)C 308150367 572844803 /nfs/dbraw/zinc/84/48/03/572844803.db2.gz NXFIZAMHYNVUQM-VHSXEESVSA-N 0 0 181.279 2.137 10 30 AEEERN C#CC[C@@H](CC)C(=O)OCC(C)C 75421417 572844866 /nfs/dbraw/zinc/84/48/66/572844866.db2.gz QGVOOJQIROHEHY-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C=C(C)C(=O)Cc1cccc(OC)c1 86022421 572844878 /nfs/dbraw/zinc/84/48/78/572844878.db2.gz YJCJAUAWOAEZDM-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN C=CCC[C@]1(O)CC[C@@H]1C 306998628 572844881 /nfs/dbraw/zinc/84/48/81/572844881.db2.gz CIGCBJHJDMSOES-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@@H]1CC[C@@H](/C=C/CO)C1 306968480 572844931 /nfs/dbraw/zinc/84/49/31/572844931.db2.gz QYCSFVFBDAPGFI-HIHHVFROSA-N 0 0 152.237 2.137 10 30 AEEERN C=CCOC(=O)C[C@H](CC)SC 307963402 572844940 /nfs/dbraw/zinc/84/49/40/572844940.db2.gz ZCXOROYUFRWMGX-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(C)CC(=O)Cc1ccncc1 86022675 572844983 /nfs/dbraw/zinc/84/49/83/572844983.db2.gz DDRYLKDVXNDNTQ-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN CC(C)N[C@H](C#N)C1CCCC1 50272465 572872507 /nfs/dbraw/zinc/87/25/07/572872507.db2.gz GTYHMAMJDSGASU-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN Cn1cc(NCC#N)c2ccccc21 258774506 573563681 /nfs/dbraw/zinc/56/36/81/573563681.db2.gz KRLSASPFCWWPRW-UHFFFAOYSA-N 0 0 185.230 2.114 10 30 AEEERN C[C@@H]1SCC[C@@H]1CCC#N 107399167 573563688 /nfs/dbraw/zinc/56/36/88/573563688.db2.gz KXVDOOUZYCHLBW-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN C=C(C)CC(=O)C[C@H]1CCCO1 86022279 572845107 /nfs/dbraw/zinc/84/51/07/572845107.db2.gz APKVVLLUBATBBT-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C=C([C@H](O)[C@@]1(C)C[C@H]1F)C(F)(F)F 306929081 572851533 /nfs/dbraw/zinc/85/15/33/572851533.db2.gz BJSJGASYBBOMNB-VQVTYTSYSA-N 0 0 198.159 2.214 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)CCC 307961697 572856983 /nfs/dbraw/zinc/85/69/83/572856983.db2.gz XOPWKWOBVHWAPB-VIFPVBQESA-N 0 0 169.268 2.067 10 30 AEEERN C#CCCCn1ccc(C(C)C)n1 308147548 572857081 /nfs/dbraw/zinc/85/70/81/572857081.db2.gz MJSVGEXGQRFFJS-UHFFFAOYSA-N 0 0 176.263 2.420 10 30 AEEERN C[C@H](CC#N)N1CC2(CCCC2)C1 86681222 573565280 /nfs/dbraw/zinc/56/52/80/573565280.db2.gz QFDYQFMKKMXSPO-SNVBAGLBSA-N 0 0 178.279 2.165 10 30 AEEERN CC[C@@H](C)C=NN1CCCCC1=O 393537197 573565281 /nfs/dbraw/zinc/56/52/81/573565281.db2.gz IZNDUGPVBTXXEZ-SECBINFHSA-N 0 0 182.267 2.031 10 30 AEEERN C[C@H](NC1(C#N)CC1)c1ccccc1 238433060 573565283 /nfs/dbraw/zinc/56/52/83/573565283.db2.gz PWLJGTQIHBUHOL-JTQLQIEISA-N 0 0 186.258 2.393 10 30 AEEERN CCc1[nH]c(-c2ccco2)nc1C#N 77589304 572867442 /nfs/dbraw/zinc/86/74/42/572867442.db2.gz WETUOUQPZRFQKZ-UHFFFAOYSA-N 0 0 187.202 2.104 10 30 AEEERN Cc1ccc(O)cc1CCCC=O 75568454 572867446 /nfs/dbraw/zinc/86/74/46/572867446.db2.gz DGJPSBXWBVWRDL-UHFFFAOYSA-N 0 0 178.231 2.222 10 30 AEEERN C[C@](O)(CCC#N)c1ccccc1 75565563 572867467 /nfs/dbraw/zinc/86/74/67/572867467.db2.gz IWCZXCPRRYTZQA-NSHDSACASA-N 0 0 175.231 2.198 10 30 AEEERN C[C@@H](CC#N)OC(=O)CC1(C)CC1 308155108 572868848 /nfs/dbraw/zinc/86/88/48/572868848.db2.gz QVDMNOXJRXUHHC-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN CC(C)(C=O)C(=O)C1CCCCC1 75576046 572871414 /nfs/dbraw/zinc/87/14/14/572871414.db2.gz YNSROXPZXLMYHS-UHFFFAOYSA-N 0 0 182.263 2.361 10 30 AEEERN N#C[C@H]1CCC[C@@H]1N1CC2(CCC2)C1 86681552 573565317 /nfs/dbraw/zinc/56/53/17/573565317.db2.gz OQEBTTFRHPEHSC-MNOVXSKESA-N 0 0 190.290 2.165 10 30 AEEERN CC[C@@H](C)ON=C(C)[C@H](C)OC 307967437 572871480 /nfs/dbraw/zinc/87/14/80/572871480.db2.gz DEMYVNZFOWYCHR-APPZFPTMSA-N 0 0 173.256 2.212 10 30 AEEERN O=CCC[C@H]1O[C@@H]1c1ccccc1 238614138 572871487 /nfs/dbraw/zinc/87/14/87/572871487.db2.gz HXTWMIVEEHCCKN-GHMZBOCLSA-N 0 0 176.215 2.106 10 30 AEEERN CCCCCNN=C[C@@H]1C[C@@H]1C 307967206 572871493 /nfs/dbraw/zinc/87/14/93/572871493.db2.gz CVLBWFMJKDHQIG-UWVGGRQHSA-N 0 0 168.284 2.408 10 30 AEEERN CCON(CC)c1ccc(C#N)cc1 75579881 572872480 /nfs/dbraw/zinc/87/24/80/572872480.db2.gz AJDXUWTYXIWCNY-UHFFFAOYSA-N 0 0 190.246 2.336 10 30 AEEERN CCCC(C=O)=NNc1ccccc1 75579891 572872485 /nfs/dbraw/zinc/87/24/85/572872485.db2.gz QJFXTTFOFWDZGX-QBFSEMIESA-N 0 0 190.246 2.454 10 30 AEEERN CC(=NO)[C@@H](C)Oc1ccccc1 307970537 572872494 /nfs/dbraw/zinc/87/24/94/572872494.db2.gz GJZFPKQDEFIFDH-SECBINFHSA-N 0 0 179.219 2.304 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(COC)cc1 86021691 572844999 /nfs/dbraw/zinc/84/49/99/572844999.db2.gz ANFAWFOKRIIGLT-GFCCVEGCSA-N 0 0 192.258 2.443 10 30 AEEERN CC(=O)CC[C@H](C=O)c1ccccc1 75579805 572872503 /nfs/dbraw/zinc/87/25/03/572872503.db2.gz SVUJRGIZGQQCQY-GFCCVEGCSA-N 0 0 190.242 2.338 10 30 AEEERN C/C=C\C(=O)[C@H](C)[C@H](O)C(C)(C)C 210251802 572892147 /nfs/dbraw/zinc/89/21/47/572892147.db2.gz NZHQTZAMFVOAOH-NCXBPJTESA-N 0 0 184.279 2.175 10 30 AEEERN CCC[C@@H](C)CC(=O)O[C@H](C)C#N 308172338 572892151 /nfs/dbraw/zinc/89/21/51/572892151.db2.gz BSUPAZNQYGTJAN-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@H](C)[C@@H](O)/C(=C\C)[Si](C)(C)C 308170909 572892231 /nfs/dbraw/zinc/89/22/31/572892231.db2.gz VWVCRIHUPCNAGP-XEFMAMCISA-N 0 0 196.366 2.440 10 30 AEEERN C=C[C@H](C)[C@@H](C)CC#N 75520784 572874963 /nfs/dbraw/zinc/87/49/63/572874963.db2.gz JCFJYSPGROMHQH-YUMQZZPRSA-N 0 0 123.199 2.358 10 30 AEEERN C(=NNCC1CC1)c1cccs1 307970174 572889867 /nfs/dbraw/zinc/88/98/67/572889867.db2.gz WONBBARJSJSXCI-UHFFFAOYSA-N 0 0 180.276 2.082 10 30 AEEERN CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CC#N 307969857 572890021 /nfs/dbraw/zinc/89/00/21/572890021.db2.gz GDOAQTWHNCDRGO-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@H](C)OC(=O)C1(CC)CC1 307970057 572890131 /nfs/dbraw/zinc/89/01/31/572890131.db2.gz GJCLPHKKRPFCHH-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C/C=C\C(=O)CCC[C@H]1CCCO1 308169166 572890160 /nfs/dbraw/zinc/89/01/60/572890160.db2.gz UFEHVOURLXZPNJ-SROOVFNMSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCC1=C[C@@H](O)C[C@H](C)C1 307087513 572890162 /nfs/dbraw/zinc/89/01/62/572890162.db2.gz RSYJUMZVCXVZPU-SCZZXKLOSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@@H](O)C/N=C\c1cccc(Cl)c1 308170102 572890201 /nfs/dbraw/zinc/89/02/01/572890201.db2.gz VCEARFKYHBKWLK-HLPMDPMVSA-N 0 0 197.665 2.140 10 30 AEEERN CC1=C(/C=C/[C@H](C)O)C(C)(C)CC1=O 238432273 573568274 /nfs/dbraw/zinc/56/82/74/573568274.db2.gz WYUKRBINJOITEO-GJIOHYHPSA-N 0 0 194.274 2.239 10 30 AEEERN C=C(C[C@@H](O)C(C)(C)C)[C@@H](C)OC 308170104 572890550 /nfs/dbraw/zinc/89/05/50/572890550.db2.gz VCLBEXVMHNMBBT-NXEZZACHSA-N 0 0 186.295 2.375 10 30 AEEERN CC/C=C/C(=O)O[C@H](CC)CC#N 308170979 572892041 /nfs/dbraw/zinc/89/20/41/572892041.db2.gz BJXNBPNJXWPIMZ-VUHVRTRXSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCCN(OC)C1CCCC1 307978345 572892054 /nfs/dbraw/zinc/89/20/54/572892054.db2.gz NAGSLAYHSGGINJ-UHFFFAOYSA-N 0 0 169.268 2.369 10 30 AEEERN COC[C@H](C#N)SC1CCCC1 307978075 572892084 /nfs/dbraw/zinc/89/20/84/572892084.db2.gz MQWGZKYBVBEMJC-VIFPVBQESA-N 0 0 185.292 2.201 10 30 AEEERN CCCN=NC[C@H]1CC[C@H](C)C1 307978659 572892088 /nfs/dbraw/zinc/89/20/88/572892088.db2.gz NHIQTDBRBUOAOY-UWVGGRQHSA-N 0 0 168.284 2.408 10 30 AEEERN C=CCSCc1cccnc1C#N 308172120 572892095 /nfs/dbraw/zinc/89/20/95/572892095.db2.gz CSLCAIOJSJTMLO-UHFFFAOYSA-N 0 0 190.271 2.372 10 30 AEEERN CON=C(C)C[C@H](O)c1ccccc1 308624756 573569541 /nfs/dbraw/zinc/56/95/41/573569541.db2.gz JOKVPQLWJGBRJI-NSHDSACASA-N 0 0 193.246 2.132 10 30 AEEERN Cc1nn(C2CCC2)c(C)c1CC#N 257831829 573569542 /nfs/dbraw/zinc/56/95/42/573569542.db2.gz JNHLEYJCHWTQCA-UHFFFAOYSA-N 0 0 189.262 2.291 10 30 AEEERN C=C[C@H](O)[C@@H]1CCC=C[C@@H]1C 238444109 573569592 /nfs/dbraw/zinc/56/95/92/573569592.db2.gz YTXNKQAUSDYVNW-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1N1CC2(CCC2)C1 86681554 573569665 /nfs/dbraw/zinc/56/96/65/573569665.db2.gz OQEBTTFRHPEHSC-QWRGUYRKSA-N 0 0 190.290 2.165 10 30 AEEERN C[C@H]1SCC[C@@H]1CCC=O 107400143 573569754 /nfs/dbraw/zinc/56/97/54/573569754.db2.gz FMZSDJFCOGOIBH-SFYZADRCSA-N 0 0 158.266 2.107 10 30 AEEERN C=C(CC)CN[C@@H](C)c1ccon1 308182349 572912379 /nfs/dbraw/zinc/91/23/79/572912379.db2.gz HYCDJJNGAMDLDC-VIFPVBQESA-N 0 0 180.251 2.291 10 30 AEEERN C=CCSc1ncc(C=O)cc1C 308186105 572913530 /nfs/dbraw/zinc/91/35/30/572913530.db2.gz JVSAUZYPWOVSRV-UHFFFAOYSA-N 0 0 193.271 2.481 10 30 AEEERN CC1(C)C[C@@H](CCC#N)CCO1 107403503 573572912 /nfs/dbraw/zinc/57/29/12/573572912.db2.gz LKEBRBLOVGYWRF-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN C=CCCNc1ncc(N)cc1Cl 236367814 573573035 /nfs/dbraw/zinc/57/30/35/573573035.db2.gz OLSXTJVUMNNHPT-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN C[C@@H]1CCCC(=O)[C@@]12CC[C@@H](C=O)C2 238444213 573573174 /nfs/dbraw/zinc/57/31/74/573573174.db2.gz BQWSYGKLXLCPTN-CKYFFXLPSA-N 0 0 194.274 2.361 10 30 AEEERN C=CCOC(=O)[C@@H]1CCCC1(F)F 308188747 572915575 /nfs/dbraw/zinc/91/55/75/572915575.db2.gz LUMNERKUAOFTQR-ZETCQYMHSA-N 0 0 190.189 2.151 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@H](C#N)NC1CCCC1 714596797 572915580 /nfs/dbraw/zinc/91/55/80/572915580.db2.gz OSAFEZFPXALFKY-USWWRNFRSA-N 0 0 192.306 2.457 10 30 AEEERN C=CCOC(=O)[C@H]1CCCC1(F)F 308188746 572917084 /nfs/dbraw/zinc/91/70/84/572917084.db2.gz LUMNERKUAOFTQR-SSDOTTSWSA-N 0 0 190.189 2.151 10 30 AEEERN Cc1ccncc1N=[N+]=[N-] 72231202 572917117 /nfs/dbraw/zinc/91/71/17/572917117.db2.gz WBGNIWJPUUMEQE-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN COc1ccc(F)cc1[C@H]1O[C@@H]1C 258783328 573573215 /nfs/dbraw/zinc/57/32/15/573573215.db2.gz MDTAHBFJRKEXRY-LDWIPMOCSA-N 0 0 182.194 2.294 10 30 AEEERN C/C(=C\CCO)CC[C@H]1OC1(C)C 238040619 572917329 /nfs/dbraw/zinc/91/73/29/572917329.db2.gz YBWYIJDZXNLWJS-NAZIUFLLSA-N 0 0 184.279 2.273 10 30 AEEERN CC[C@H]1C[C@H](CCC#N)CCO1 107403494 573573242 /nfs/dbraw/zinc/57/32/42/573573242.db2.gz WBGPYNNENFSUOE-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN COc1ccc(SC)c(F)c1C#N 75927551 572920420 /nfs/dbraw/zinc/92/04/20/572920420.db2.gz DTJMUJPGACSKRI-UHFFFAOYSA-N 0 0 197.234 2.428 10 30 AEEERN C#CCC1(C(=O)OC(C)(C)C)CC1 238116495 572937855 /nfs/dbraw/zinc/93/78/55/572937855.db2.gz SBHXKWRJJXESDY-UHFFFAOYSA-N 0 0 180.247 2.132 10 30 AEEERN Cc1cc([C@H](O)CCC=O)c(C)s1 308191613 572925969 /nfs/dbraw/zinc/92/59/69/572925969.db2.gz ODJDNUWKOKNDLQ-SNVBAGLBSA-N 0 0 198.287 2.377 10 30 AEEERN C[C@]1(C(=O)c2ccccc2)C[C@H]1C=O 238444962 573574856 /nfs/dbraw/zinc/57/48/56/573574856.db2.gz ZRTDTJVXHGEZEE-JQWIXIFHSA-N 0 0 188.226 2.094 10 30 AEEERN Cc1ccc(NCC2(C#N)CC2)o1 258795434 573574859 /nfs/dbraw/zinc/57/48/59/573574859.db2.gz ABHSIVBJTGIUMR-UHFFFAOYSA-N 0 0 176.219 2.304 10 30 AEEERN CC(C)Cc1ccc(NCC=O)cc1 258795516 573576738 /nfs/dbraw/zinc/57/67/38/573576738.db2.gz CYXBHMKEJZQEJM-UHFFFAOYSA-N 0 0 191.274 2.496 10 30 AEEERN COc1c(C[C@H]2CO2)ccc(C)c1C 234920912 572940202 /nfs/dbraw/zinc/94/02/02/572940202.db2.gz VXXPNJOOEIGIFR-NSHDSACASA-N 0 0 192.258 2.253 10 30 AEEERN Cn1c(C=O)cc(C(C)(C)C)c1C#N 259516129 573576772 /nfs/dbraw/zinc/57/67/72/573576772.db2.gz WQVKLIKXAHAQCZ-UHFFFAOYSA-N 0 0 190.246 2.007 10 30 AEEERN C=Cc1cccc([C@H]2C[NH2+]C[C@H]2C#N)c1 238137832 572941377 /nfs/dbraw/zinc/94/13/77/572941377.db2.gz NVTOAEYFZBBJAZ-CHWSQXEVSA-N 0 0 198.269 2.156 10 30 AEEERN CCC/C=C\C(=O)OC[C@@H](C)C#N 308210694 572941391 /nfs/dbraw/zinc/94/13/91/572941391.db2.gz GFMMHLOEVYVICK-UDIARPCQSA-N 0 0 181.235 2.046 10 30 AEEERN COc1c(C[C@@H]2CO2)ccc(C)c1C 234920552 572941412 /nfs/dbraw/zinc/94/14/12/572941412.db2.gz VXXPNJOOEIGIFR-LLVKDONJSA-N 0 0 192.258 2.253 10 30 AEEERN CC(C)c1c(CC#N)c(Cl)nn1C 214920241 573576794 /nfs/dbraw/zinc/57/67/94/573576794.db2.gz JSEVHFOLZHVHHT-UHFFFAOYSA-N 0 0 197.669 2.263 10 30 AEEERN C=CC(C)(C)CC(=O)C[C@@H](O)C(=C)C 238140306 572941442 /nfs/dbraw/zinc/94/14/42/572941442.db2.gz CIKUFZYSRWVQRS-LLVKDONJSA-N 0 0 196.290 2.485 10 30 AEEERN CC(C)C[C@@H]([NH3+])[C@@H](C#N)C(C)C 238138644 572941513 /nfs/dbraw/zinc/94/15/13/572941513.db2.gz UPYRDBCSJVCZHL-VHSXEESVSA-N 0 0 168.284 2.156 10 30 AEEERN C=C[C@@H](c1ccc(OC)cc1)[C@H](C)O 308636591 573576853 /nfs/dbraw/zinc/57/68/53/573576853.db2.gz ZCJVQSIZOLTMDI-JOYOIKCWSA-N 0 0 192.258 2.346 10 30 AEEERN N#C[C@H]1CCNc2c(F)cccc2C1 259517388 573576858 /nfs/dbraw/zinc/57/68/58/573576858.db2.gz ANOMCHASHHQTFJ-QMMMGPOBSA-N 0 0 190.221 2.324 10 30 AEEERN CCCCN[C@@H](C#N)CC(C)C 58518314 572952626 /nfs/dbraw/zinc/95/26/26/572952626.db2.gz IEMBBNKVLDTBTQ-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN C[C@@](N)(C#N)c1ccc(Cl)s1 58520523 572952778 /nfs/dbraw/zinc/95/27/78/572952778.db2.gz WBBQYFMHPWSAOQ-SSDOTTSWSA-N 0 0 186.667 2.099 10 30 AEEERN Cc1ccc(C(=O)CS)cc1C 58519712 572952831 /nfs/dbraw/zinc/95/28/31/572952831.db2.gz BWZOATSHHLDRJK-UHFFFAOYSA-N 0 0 180.272 2.416 10 30 AEEERN CCCCN[C@H](C#N)CC(C)C 58518311 572952845 /nfs/dbraw/zinc/95/28/45/572952845.db2.gz IEMBBNKVLDTBTQ-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN CN(C)[C@](C)(C#N)c1cccs1 58519721 572952871 /nfs/dbraw/zinc/95/28/71/572952871.db2.gz RBZDRNNFNSYCLB-SECBINFHSA-N 0 0 180.276 2.048 10 30 AEEERN Cc1cccc2c1[C@@H](C#N)CC2=O 58518461 572952872 /nfs/dbraw/zinc/95/28/72/572952872.db2.gz GVBGVDZYPGJQMC-MRVPVSSYSA-N 0 0 171.199 2.189 10 30 AEEERN Cc1ccc(C(=O)CS)cc1 58518132 572952878 /nfs/dbraw/zinc/95/28/78/572952878.db2.gz LZXPSRRFLJPERV-UHFFFAOYSA-N 0 0 166.245 2.108 10 30 AEEERN C=CCOC1=CCC[C@@H](C)C1=O 238442153 573583604 /nfs/dbraw/zinc/58/36/04/573583604.db2.gz DNGAGBMQWXRHQZ-MRVPVSSYSA-N 0 0 166.220 2.072 10 30 AEEERN CC(C)[C@@H](C=O)C[C@@H]1CCCO1 238157261 572957097 /nfs/dbraw/zinc/95/70/97/572957097.db2.gz FVBVSDBTBNZLCC-ZJUUUORDSA-N 0 0 170.252 2.027 10 30 AEEERN C#CC1=C(C)[C@H](O)C[C@@H](C(=C)C)C1 208270852 572957099 /nfs/dbraw/zinc/95/70/99/572957099.db2.gz QBLFPKGWPKIVSI-NWDGAFQWSA-N 0 0 176.259 2.283 10 30 AEEERN C=C[C@H]1CCC(C=O)=C(O)[C@H]1C 238442536 573585556 /nfs/dbraw/zinc/58/55/56/573585556.db2.gz RMYQYGRSNJRQPA-AFWDEOAXSA-N 0 0 166.220 2.230 10 30 AEEERN C/C=C(/C)[C@H](O)C#Cc1ccccc1 208387121 572960980 /nfs/dbraw/zinc/96/09/80/572960980.db2.gz SSLHUYSMQFOQPN-BXVXIVLCSA-N 0 0 186.254 2.365 10 30 AEEERN C=CCCCO[C@H]1CCC(=O)C1 86620029 572966676 /nfs/dbraw/zinc/96/66/76/572966676.db2.gz OCPGKNPQCMQJKX-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CN(CCCC#N)c1cccc(C#N)c1 59183975 572966732 /nfs/dbraw/zinc/96/67/32/572966732.db2.gz SEMGGWBISUZAOR-UHFFFAOYSA-N 0 0 199.257 2.298 10 30 AEEERN CC1=C[C@H](C)[C@H]2CCOC[C@@]2(C=O)C1 238441881 573585697 /nfs/dbraw/zinc/58/56/97/573585697.db2.gz QVKVZCQDEFEHBH-TUAOUCFPSA-N 0 0 194.274 2.194 10 30 AEEERN C=CCC(C)(F)F 59196412 572968134 /nfs/dbraw/zinc/96/81/34/572968134.db2.gz UTBRHICUJBAXLW-UHFFFAOYSA-N 0 0 106.115 2.218 10 30 AEEERN C=C/C=C/CC[N@H+]1CC[C@](C)(C#N)C1 713655044 572968148 /nfs/dbraw/zinc/96/81/48/572968148.db2.gz HTCMHLQXNYPUHJ-ZYOFXKKJSA-N 0 0 190.290 2.354 10 30 AEEERN C=C[C@H]1C=C(CC)C(=O)C1 238242043 572998860 /nfs/dbraw/zinc/99/88/60/572998860.db2.gz QRFWYUXTCDYTHV-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN CC(C)=NOC[C@H](O)c1cccs1 238178682 572970278 /nfs/dbraw/zinc/97/02/78/572970278.db2.gz DXHIFWXHVRVCPJ-QMMMGPOBSA-N 0 0 199.275 2.194 10 30 AEEERN C=CCCC(=O)N(C)CC1CCC1 308217815 572999002 /nfs/dbraw/zinc/99/90/02/572999002.db2.gz AXKFPOYCMVAMJI-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN CC[C@H](CC#N)C(=O)C(C)C 51690459 572976995 /nfs/dbraw/zinc/97/69/95/572976995.db2.gz GBWMIVCSUTXOCR-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN C[C@H](C#N)CC(=O)C1CCCC1 51690446 572977019 /nfs/dbraw/zinc/97/70/19/572977019.db2.gz NITCREJDLPDCIG-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN CCc1ccc([C@@H](C#N)NC)s1 51719701 572977040 /nfs/dbraw/zinc/97/70/40/572977040.db2.gz VGCLXEFWNIIJHA-MRVPVSSYSA-N 0 0 180.276 2.095 10 30 AEEERN CCc1ccc(CC[C@H](C)C=O)nc1 86738042 572977061 /nfs/dbraw/zinc/97/70/61/572977061.db2.gz RHFOXESJUMFRRY-JTQLQIEISA-N 0 0 191.274 2.412 10 30 AEEERN CCCCCC1=CC[C@@H](CCO)C1=O 238189903 572977064 /nfs/dbraw/zinc/97/70/64/572977064.db2.gz PFBOXDXVSWBGCG-NSHDSACASA-N 0 0 196.290 2.465 10 30 AEEERN N#Cc1csc2c(F)c(N)ccc12 307094104 573587123 /nfs/dbraw/zinc/58/71/23/573587123.db2.gz BUEFQPGXIPQJNP-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC(C)[C@@H](C#N)Cc1ccccn1 259302459 572998674 /nfs/dbraw/zinc/99/86/74/572998674.db2.gz KEUNGYVAWRSAAX-SNVBAGLBSA-N 0 0 174.247 2.420 10 30 AEEERN CSc1cc(C)c(O)cc1CC#N 258209737 572998682 /nfs/dbraw/zinc/99/86/82/572998682.db2.gz ZFJVRBWTTRVZKY-UHFFFAOYSA-N 0 0 193.271 2.489 10 30 AEEERN C=C(C)C[C@@H](O)C[C@@H]1CCCCO1 128270713 572998683 /nfs/dbraw/zinc/99/86/83/572998683.db2.gz LHOXYOOESLJUEJ-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN CC1(C)CC(=O)[C@@H]2[C@@H](C#N)C[C@@H]2C1 238242107 572998685 /nfs/dbraw/zinc/99/86/85/572998685.db2.gz VWIHUSIJCXYROF-MRTMQBJTSA-N 0 0 177.247 2.151 10 30 AEEERN N#Cc1cc(C#N)c2c(N)csc2c1 306993104 572998711 /nfs/dbraw/zinc/99/87/11/572998711.db2.gz YEDDFGLSVFRLAN-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN COc1c(C#N)ccc2c1CCCC2 258209885 572998739 /nfs/dbraw/zinc/99/87/39/572998739.db2.gz ZJAOOOCIWHFXRH-UHFFFAOYSA-N 0 0 187.242 2.446 10 30 AEEERN N#Cc1ccccc1-c1ccc(N)cn1 238604505 572998828 /nfs/dbraw/zinc/99/88/28/572998828.db2.gz OGDWENMLPVXRAN-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C=CC(=O)C(C)(C)C=C=CC 238241087 572999063 /nfs/dbraw/zinc/99/90/63/572999063.db2.gz FJMVMYJGQZLGIC-UHFFFAOYSA-N 0 0 162.232 2.336 10 30 AEEERN CC[C@](C)(C#N)C(O)(C1CC1)C1CC1 308471987 572999117 /nfs/dbraw/zinc/99/91/17/572999117.db2.gz JSQJGRSCGPEDGS-LLVKDONJSA-N 0 0 193.290 2.477 10 30 AEEERN CC(C)[C@H](C#N)Cc1ccccn1 259302455 572999878 /nfs/dbraw/zinc/99/98/78/572999878.db2.gz KEUNGYVAWRSAAX-JTQLQIEISA-N 0 0 174.247 2.420 10 30 AEEERN CC1(C)CC(=O)C=C(CC#N)C1 113262443 572999897 /nfs/dbraw/zinc/99/98/97/572999897.db2.gz XWBIWCIZYOBPJZ-UHFFFAOYSA-N 0 0 163.220 2.216 10 30 AEEERN C=CCN(CC)C(=O)C1CC(C)C1 308217943 572999978 /nfs/dbraw/zinc/99/99/78/572999978.db2.gz KAVUCBBPZZLAER-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C[C@@H]1CCCC1=NNC[C@H]1C[C@H]1C 308219360 573000154 /nfs/dbraw/zinc/00/01/54/573000154.db2.gz BKVGLNBRXXTFOL-OPRDCNLKSA-N 0 0 180.295 2.408 10 30 AEEERN COc1c(Cl)ccc(C#N)c1OC 258211982 573000180 /nfs/dbraw/zinc/00/01/80/573000180.db2.gz ZNTKJTVMZRSKOZ-UHFFFAOYSA-N 0 0 197.621 2.229 10 30 AEEERN Cc1cc(C#N)cc(CCC=O)c1C 258209718 573000282 /nfs/dbraw/zinc/00/02/82/573000282.db2.gz ZEXRXRCAPKADDD-UHFFFAOYSA-N 0 0 187.242 2.307 10 30 AEEERN C#C[C@@H](C)OC(=O)CCCC1CC1 308217866 573000300 /nfs/dbraw/zinc/00/03/00/573000300.db2.gz AWVCQDMGELLJES-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN [N-]=[N+]=NC1=NN=C(c2cccnc2)C1 75494777 573587236 /nfs/dbraw/zinc/58/72/36/573587236.db2.gz JUSMFIAPVIYUPY-UHFFFAOYSA-N 0 0 186.178 2.414 10 30 AEEERN CCC[C@@H](O)C#Cc1cccc(F)c1 238253104 573014251 /nfs/dbraw/zinc/01/42/51/573014251.db2.gz DEVWNTHDORDFCA-GFCCVEGCSA-N 0 0 192.233 2.338 10 30 AEEERN CCCCCC(C)(C)NC(C#N)C#N 238253019 573014378 /nfs/dbraw/zinc/01/43/78/573014378.db2.gz ZIWACQPWXZAVJL-UHFFFAOYSA-N 0 0 193.294 2.351 10 30 AEEERN CC1=C2CCC[C@@H]2CCC1=O 238252447 573014639 /nfs/dbraw/zinc/01/46/39/573014639.db2.gz YCXAPHJOJKUNLA-MRVPVSSYSA-N 0 0 150.221 2.466 10 30 AEEERN C=CC[C@@H]1C(=O)CC[C@@H]1CCCCO 213376310 573588255 /nfs/dbraw/zinc/58/82/55/573588255.db2.gz MUAJQQYBHSZIIL-QWRGUYRKSA-N 0 0 196.290 2.320 10 30 AEEERN N#CC1CCCC(=O)CCC1 113591133 573019970 /nfs/dbraw/zinc/01/99/70/573019970.db2.gz NNEXLVIIARBAQJ-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN C=CCc1ccccc1NC(C)=O 141718023 573020024 /nfs/dbraw/zinc/02/00/24/573020024.db2.gz DQWDDMDECFALFH-UHFFFAOYSA-N 0 0 175.231 2.374 10 30 AEEERN CC(C)(S)c1cccnc1 259312530 573020253 /nfs/dbraw/zinc/02/02/53/573020253.db2.gz RIHOELWVYGQZCI-UHFFFAOYSA-N 0 0 153.250 2.247 10 30 AEEERN C=CCC(O)(CC=C)[C@H](C)S 113688607 573023586 /nfs/dbraw/zinc/02/35/86/573023586.db2.gz RWVCVEQICMLDRD-QMMMGPOBSA-N 0 0 172.293 2.188 10 30 AEEERN C=C[C@@]12CCC(=O)[C@@H](C=C1C)C2 238255300 573023644 /nfs/dbraw/zinc/02/36/44/573023644.db2.gz DVKZNZJNZIVCJY-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN CC1(C)C[C@@]2(C)C(=O)C=C[C@@H]12 238254355 573023652 /nfs/dbraw/zinc/02/36/52/573023652.db2.gz AVJNOTAHAZAPHK-OIBJUYFYSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H](C#N)C(=O)C(C1CC1)C1CC1 308232360 573024592 /nfs/dbraw/zinc/02/45/92/573024592.db2.gz UDMXGJNKOYIKBM-SSDOTTSWSA-N 0 0 177.247 2.151 10 30 AEEERN CC(=O)C=Cc1c[nH]c2ncccc12 221077011 573024638 /nfs/dbraw/zinc/02/46/38/573024638.db2.gz IAQNNJZEKHMIDV-PLNGDYQASA-N 0 0 186.214 2.165 10 30 AEEERN CC(C)=CCC[C@H](C)[C@@]1(CO)CO1 308229849 573024648 /nfs/dbraw/zinc/02/46/48/573024648.db2.gz SJEFBCVKZKSDEH-WDEREUQCSA-N 0 0 184.279 2.130 10 30 AEEERN C=C1C[C@@H]2C(=O)C=C(C)[C@@H]2C1 238255803 573024788 /nfs/dbraw/zinc/02/47/88/573024788.db2.gz KKHJIXJDJLOXIP-IUCAKERBSA-N 0 0 148.205 2.098 10 30 AEEERN C=Cc1cccc([C@@H](N)CC#N)c1 104574260 573024836 /nfs/dbraw/zinc/02/48/36/573024836.db2.gz GMPCUJZGIWYSID-NSHDSACASA-N 0 0 172.231 2.243 10 30 AEEERN CO[C@H](C)c1ccccc1CC#N 259522013 573591409 /nfs/dbraw/zinc/59/14/09/573591409.db2.gz QKUPJPSXYLMKTL-SECBINFHSA-N 0 0 175.231 2.460 10 30 AEEERN Cc1noc(C)c1C(=O)CCCC#N 259520812 573591427 /nfs/dbraw/zinc/59/14/27/573591427.db2.gz AXMPHJWGLBGZRE-UHFFFAOYSA-N 0 0 192.218 2.168 10 30 AEEERN CCN(CC#N)C[C@H]1CC[C@H](C)C1 308229270 573025137 /nfs/dbraw/zinc/02/51/37/573025137.db2.gz OCQDWILAJTZHJB-QWRGUYRKSA-N 0 0 180.295 2.268 10 30 AEEERN CC1=CC(=O)[C@H]2C(C)=C(C)[C@@]2(C)O1 238255759 573026941 /nfs/dbraw/zinc/02/69/41/573026941.db2.gz GMCMPYKKDJUDIE-GHMZBOCLSA-N 0 0 178.231 2.214 10 30 AEEERN CCOC1=C[C@H](C)[C@@H](C=O)CC1 238254821 573027186 /nfs/dbraw/zinc/02/71/86/573027186.db2.gz WQJKFOOXHJIQKH-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 AEEERN COC1(c2ccc(CC#N)cc2)CC1 259313653 573027284 /nfs/dbraw/zinc/02/72/84/573027284.db2.gz FLTJAFCIMHFMNL-UHFFFAOYSA-N 0 0 187.242 2.388 10 30 AEEERN C=CCN(C)COc1ccccc1 308477384 573027295 /nfs/dbraw/zinc/02/72/95/573027295.db2.gz MGPAEOUAGFESCA-UHFFFAOYSA-N 0 0 177.247 2.141 10 30 AEEERN C=C(C)[C@H](O)[C@H](C)C(=O)CC(C)C 308229562 573027489 /nfs/dbraw/zinc/02/74/89/573027489.db2.gz SFXAZMBYWWVCOC-KOLCDFICSA-N 0 0 184.279 2.175 10 30 AEEERN C=C(C)[C@@H](O)[C@@H](C)C(=O)CC(C)C 308229561 573027496 /nfs/dbraw/zinc/02/74/96/573027496.db2.gz SFXAZMBYWWVCOC-GXSJLCMTSA-N 0 0 184.279 2.175 10 30 AEEERN CCc1ccc(C#N)nc1CC 307007086 573027512 /nfs/dbraw/zinc/02/75/12/573027512.db2.gz LNFIHJKKXATECN-UHFFFAOYSA-N 0 0 160.220 2.078 10 30 AEEERN C=C(C)[C@H](O)[C@@H](C)C(=O)CC(C)C 308229563 573027523 /nfs/dbraw/zinc/02/75/23/573027523.db2.gz SFXAZMBYWWVCOC-ONGXEEELSA-N 0 0 184.279 2.175 10 30 AEEERN CCc1cccc([C@@H](N)CC#N)c1 104575428 573027529 /nfs/dbraw/zinc/02/75/29/573027529.db2.gz VRCPXHOZDJXBEK-NSHDSACASA-N 0 0 174.247 2.162 10 30 AEEERN CC1=C(CCC=O)[C@H]2CC(=O)[C@@H]2CC1 238248249 573029951 /nfs/dbraw/zinc/02/99/51/573029951.db2.gz YOCZPCRLQAHNJX-GHMZBOCLSA-N 0 0 192.258 2.281 10 30 AEEERN N#CCc1ccc2ncsc2c1 113772742 573028875 /nfs/dbraw/zinc/02/88/75/573028875.db2.gz XBMMFHQMXCXOIV-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN CC1=CC(=O)c2ccccc2CO1 238256306 573028943 /nfs/dbraw/zinc/02/89/43/573028943.db2.gz YQYXOHDTUYEJQP-UHFFFAOYSA-N 0 0 174.199 2.303 10 30 AEEERN CC1=C[C@](C)(CCCO)C(=O)C(C)=C1 238256456 573029017 /nfs/dbraw/zinc/02/90/17/573029017.db2.gz GODQKBZGVHVADH-LBPRGKRZSA-N 0 0 194.274 2.241 10 30 AEEERN O=CC[C@@H]1Cc2cc(Cl)ccc2O1 258231347 573029024 /nfs/dbraw/zinc/02/90/24/573029024.db2.gz WMNXTBPQPIIWQS-SECBINFHSA-N 0 0 196.633 2.233 10 30 AEEERN CCc1ccccc1[C@@H](N)CC#N 104580005 573029975 /nfs/dbraw/zinc/02/99/75/573029975.db2.gz IFSXBPAQHCMJHZ-NSHDSACASA-N 0 0 174.247 2.162 10 30 AEEERN CC1(C)N=N[C@@H]2CCC=CC(=O)[C@H]21 238248362 573029919 /nfs/dbraw/zinc/02/99/19/573029919.db2.gz QIKFHSGLSPJITE-APPZFPTMSA-N 0 0 178.235 2.135 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)C=C(C)C 308230009 573030026 /nfs/dbraw/zinc/03/00/26/573030026.db2.gz GFPQELULNNCLPY-JTQLQIEISA-N 0 0 181.279 2.233 10 30 AEEERN COc1ccc(C[C@]2(C)CO2)cc1 82420008 573030075 /nfs/dbraw/zinc/03/00/75/573030075.db2.gz NQQXPUBFNDVYJP-LLVKDONJSA-N 0 0 178.231 2.027 10 30 AEEERN CC(C)Cc1ncc(CC#N)s1 82416718 573030084 /nfs/dbraw/zinc/03/00/84/573030084.db2.gz LJRHFPULNGWVJC-UHFFFAOYSA-N 0 0 180.276 2.408 10 30 AEEERN N#Cc1cccn1-c1cccs1 259314433 573030144 /nfs/dbraw/zinc/03/01/44/573030144.db2.gz COKNECOVDPEJQB-UHFFFAOYSA-N 0 0 174.228 2.410 10 30 AEEERN CC1=C(CCC=O)[C@@H]2CC(=O)[C@H]2CC1 238248237 573030176 /nfs/dbraw/zinc/03/01/76/573030176.db2.gz YOCZPCRLQAHNJX-QWRGUYRKSA-N 0 0 192.258 2.281 10 30 AEEERN CC1(C)N=N[C@H]2CCC=CC(=O)[C@@H]21 238248432 573030212 /nfs/dbraw/zinc/03/02/12/573030212.db2.gz QIKFHSGLSPJITE-IONNQARKSA-N 0 0 178.235 2.135 10 30 AEEERN C#CCCCOc1ccccc1C=O 161020995 573030237 /nfs/dbraw/zinc/03/02/37/573030237.db2.gz BODXNQLPXIOMRJ-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN CCC(=O)c1cc(C#N)ccc1OC 307010144 573030286 /nfs/dbraw/zinc/03/02/86/573030286.db2.gz JIBFQZPCPNYAHP-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN O=CCc1csc2cccc(O)c12 258230783 573030288 /nfs/dbraw/zinc/03/02/88/573030288.db2.gz PWXIDTJVDJOZIP-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN CC1=CC(=NNC[C@H]2C[C@@H]2C)CC1 308230553 573030321 /nfs/dbraw/zinc/03/03/21/573030321.db2.gz GLMXEPMDTOVGOB-VHSXEESVSA-N 0 0 178.279 2.328 10 30 AEEERN CC1=CC(=NNC[C@@H]2C[C@H]2C)CC1 308230559 573030364 /nfs/dbraw/zinc/03/03/64/573030364.db2.gz GLMXEPMDTOVGOB-ZJUUUORDSA-N 0 0 178.279 2.328 10 30 AEEERN CC1(C)N=N[C@H]2CCC=CC(=O)[C@H]21 238248442 573030390 /nfs/dbraw/zinc/03/03/90/573030390.db2.gz QIKFHSGLSPJITE-CBAPKCEASA-N 0 0 178.235 2.135 10 30 AEEERN C=C[C@H](C)OC(=O)C[C@H](C)SC 308161999 573031667 /nfs/dbraw/zinc/03/16/67/573031667.db2.gz RTLMPZQFKPUGHP-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN CC1=CC(=O)[C@H]2CCC[C@@H]2C1 238255940 573031802 /nfs/dbraw/zinc/03/18/02/573031802.db2.gz LZBIEIIDHZFTBV-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H](C=O)[C@H]1C=Cc2ccccc2O1 238442925 573592051 /nfs/dbraw/zinc/59/20/51/573592051.db2.gz CCJFSAWODWKBEI-MWLCHTKSSA-N 0 0 188.226 2.296 10 30 AEEERN C=CCSCC[C@H](C#N)NCCC 393539201 573592054 /nfs/dbraw/zinc/59/20/54/573592054.db2.gz QCTWVYMGZZYVKI-SNVBAGLBSA-N 0 0 198.335 2.187 10 30 AEEERN C[C@H]1C=CC=C2C(=O)C=C[C@]21C 238443228 573592082 /nfs/dbraw/zinc/59/20/82/573592082.db2.gz WNTHRWBDUDQPTE-KWQFWETISA-N 0 0 160.216 2.264 10 30 AEEERN CCCCCCCNC#N 104592583 573051799 /nfs/dbraw/zinc/05/17/99/573051799.db2.gz WCLGUVBLHVRZLP-UHFFFAOYSA-N 0 0 140.230 2.027 10 30 AEEERN CCC[C@H](O)C#Cc1cccc(F)c1 238260028 573051881 /nfs/dbraw/zinc/05/18/81/573051881.db2.gz DEVWNTHDORDFCA-LBPRGKRZSA-N 0 0 192.233 2.338 10 30 AEEERN COc1c(C)cc([C@@H]2CO2)cc1C 259318615 573047331 /nfs/dbraw/zinc/04/73/31/573047331.db2.gz OCHWGOZLPMRBSX-JTQLQIEISA-N 0 0 178.231 2.383 10 30 AEEERN C/C=C\[C@H](C#N)[C@@H](O)c1ccccc1 308632780 573593897 /nfs/dbraw/zinc/59/38/97/573593897.db2.gz WEDFUKXXRDANKL-NVJVVVOFSA-N 0 0 187.242 2.436 10 30 AEEERN CCC[C@]1(C)CC(=O)C=C(C)O1 238260409 573051337 /nfs/dbraw/zinc/05/13/37/573051337.db2.gz IVRFMFWFJWXXMA-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN CCCNN=C(C)CC(C)(C)OC 308248645 573051511 /nfs/dbraw/zinc/05/15/11/573051511.db2.gz ZTTAEYAYCWLGGJ-UHFFFAOYSA-N 0 0 186.299 2.177 10 30 AEEERN CN[C@H](C#N)c1ccc(F)c(Cl)c1 88041203 573051524 /nfs/dbraw/zinc/05/15/24/573051524.db2.gz LDIATQMZBLNTSY-SECBINFHSA-N 0 0 198.628 2.263 10 30 AEEERN Cc1cccc(OC[C@]2(C)CO2)c1 85501619 573051530 /nfs/dbraw/zinc/05/15/30/573051530.db2.gz CNCXOBGCUKLCNF-LLVKDONJSA-N 0 0 178.231 2.163 10 30 AEEERN CC[C@H](C)SC[C@@]1(C)CO1 85502068 573051566 /nfs/dbraw/zinc/05/15/66/573051566.db2.gz NMXPXXIQNSSJML-JGVFFNPUSA-N 0 0 160.282 2.307 10 30 AEEERN CC[C@@H](C)SC[C@]1(C)CO1 85502065 573051655 /nfs/dbraw/zinc/05/16/55/573051655.db2.gz NMXPXXIQNSSJML-SFYZADRCSA-N 0 0 160.282 2.307 10 30 AEEERN C=C[C@H](C)NC(=O)/C=C/C(C)(C)C 308249284 573051732 /nfs/dbraw/zinc/05/17/32/573051732.db2.gz GUZBBWZTIVPJNO-FLOXNTQESA-N 0 0 181.279 2.279 10 30 AEEERN C/C=C/[C@@H](O)C#C/C=C/SCC 238273869 573051735 /nfs/dbraw/zinc/05/17/35/573051735.db2.gz PZWABARVKMWFCY-RXDVCQOMSA-N 0 0 182.288 2.194 10 30 AEEERN Cc1cc(C)cc(OC[C@@]2(C)CO2)c1 85501616 573051776 /nfs/dbraw/zinc/05/17/76/573051776.db2.gz PAZTWPCDLZYBMV-LBPRGKRZSA-N 0 0 192.258 2.471 10 30 AEEERN N#Cc1cc2c(C3CC3)cc[nH]c-2n1 259320906 573058350 /nfs/dbraw/zinc/05/83/50/573058350.db2.gz KCUGNSZLMNHQSI-UHFFFAOYSA-N 0 0 183.214 2.312 10 30 AEEERN C[C@@H]1CCCC[C@H]1OC[C@]1(C)CO1 85501702 573052117 /nfs/dbraw/zinc/05/21/17/573052117.db2.gz IZYSCCFWMTWNED-GMTAPVOTSA-N 0 0 184.279 2.371 10 30 AEEERN CC(C)CSC[C@@]1(C)CO1 85502082 573052189 /nfs/dbraw/zinc/05/21/89/573052189.db2.gz GNIPJAAJHQBQFS-MRVPVSSYSA-N 0 0 160.282 2.165 10 30 AEEERN C#CCONC1CCC(CC)CC1 308488309 573058427 /nfs/dbraw/zinc/05/84/27/573058427.db2.gz QBNHPIVVQCKACN-UHFFFAOYSA-N 0 0 181.279 2.110 10 30 AEEERN CC[C@@H](CC#N)OC(=O)[C@H](C)CC 308248851 573054363 /nfs/dbraw/zinc/05/43/63/573054363.db2.gz AHAQHFJONWGLHX-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN CCOc1ccccc1C1(C=O)CC1 257833794 573593921 /nfs/dbraw/zinc/59/39/21/573593921.db2.gz KFCDFWJSXWJGJM-UHFFFAOYSA-N 0 0 190.242 2.316 10 30 AEEERN C#CCON[C@H](CC)c1cccs1 308487673 573057318 /nfs/dbraw/zinc/05/73/18/573057318.db2.gz PWMLULGJISBURY-SECBINFHSA-N 0 0 195.287 2.354 10 30 AEEERN C=CCN(CC)C(=O)CC(C)(C)C 308240099 573057907 /nfs/dbraw/zinc/05/79/07/573057907.db2.gz SJLRMYBUEFERBZ-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(C)[C@@H](C=O)CCC 238262724 573058210 /nfs/dbraw/zinc/05/82/10/573058210.db2.gz JOKQFAMMKAUTNW-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)C1(C)CCC1 686127176 573058253 /nfs/dbraw/zinc/05/82/53/573058253.db2.gz CDBWRPXPKGRLGB-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](CO)/N=C\c1ccc(C)cc1 308632372 573595097 /nfs/dbraw/zinc/59/50/97/573595097.db2.gz WAUYNLALFDFIAW-OEMOTLHWSA-N 0 0 191.274 2.185 10 30 AEEERN CC[C@H](C=O)C(C)(C)C 75523216 573595101 /nfs/dbraw/zinc/59/51/01/573595101.db2.gz QNWXANGHIILIBC-SSDOTTSWSA-N 0 0 128.215 2.258 10 30 AEEERN N#CC[C@@H]1CCO[C@@H]2CCSC[C@@H]12 259522545 573595111 /nfs/dbraw/zinc/59/51/11/573595111.db2.gz BBIVBVQLBFGUMW-KXUCPTDWSA-N 0 0 197.303 2.058 10 30 AEEERN C[C@@H]1C=C[C@@H](C#N)CC1 75520196 573595159 /nfs/dbraw/zinc/59/51/59/573595159.db2.gz NAZCTVJIGXQDHW-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN C#C[C@H](O)/C(=C/c1ccccc1)CC 308631684 573595215 /nfs/dbraw/zinc/59/52/15/573595215.db2.gz VNZBMGSHDOICIJ-XSNHNAGMSA-N 0 0 186.254 2.474 10 30 AEEERN CCO[C@@H]1C[C@@H]1C#C/C=C/Cl 238265604 573063063 /nfs/dbraw/zinc/06/30/63/573063063.db2.gz DKBGCITUNFMURY-HNEWHRDISA-N 0 0 170.639 2.167 10 30 AEEERN C[C@@H](C#N)Cc1cccc(C=O)c1 114174859 573063189 /nfs/dbraw/zinc/06/31/89/573063189.db2.gz PBKACPWKVGTMTR-SECBINFHSA-N 0 0 173.215 2.201 10 30 AEEERN C/C(=C\c1ccccc1)CNCC#N 308495397 573063293 /nfs/dbraw/zinc/06/32/93/573063293.db2.gz DAKVEIYJFVBJRW-PKNBQFBNSA-N 0 0 186.258 2.203 10 30 AEEERN N#CCc1cc(O)cc(Cl)c1 114154311 573063294 /nfs/dbraw/zinc/06/32/94/573063294.db2.gz DHIXZTYSRPZJMB-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN CC[C@@H]1CCC(=NNCC(F)F)C1 308243201 573063319 /nfs/dbraw/zinc/06/33/19/573063319.db2.gz SZBZCTOGCMIKNK-SSDOTTSWSA-N 0 0 190.237 2.407 10 30 AEEERN CCC#C[C@@H](O)CCCCC 143901520 573063331 /nfs/dbraw/zinc/06/33/31/573063331.db2.gz XQPLPQVUWGNASK-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C=CC[C@H](CC)NC(=O)/C=C/CC 308243706 573063386 /nfs/dbraw/zinc/06/33/86/573063386.db2.gz TZDVUJMVCHHRML-PCYYEKQGSA-N 0 0 181.279 2.424 10 30 AEEERN CCN(CCC1CC1)C(C)(C)C#N 308244247 573063446 /nfs/dbraw/zinc/06/34/46/573063446.db2.gz UKDUESQHLHHDEJ-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C=O)Oc1ccc(Cl)nc1 114210243 573065734 /nfs/dbraw/zinc/06/57/34/573065734.db2.gz AQLRDVXOJXYLNZ-UHFFFAOYSA-N 0 0 199.637 2.091 10 30 AEEERN C#Cc1cc(Cl)cc(C)n1 209752997 573068191 /nfs/dbraw/zinc/06/81/91/573068191.db2.gz AZBQDIRERWNHND-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C=CCOCC1(CO)CCCCC1 78279019 573081304 /nfs/dbraw/zinc/08/13/04/573081304.db2.gz URAPUYSDQSSQGO-UHFFFAOYSA-N 0 0 184.279 2.132 10 30 AEEERN C=C[C@H](CCO)c1ccc(OC)cc1 308492160 573081362 /nfs/dbraw/zinc/08/13/62/573081362.db2.gz RSUZXCCMRJBWTD-SNVBAGLBSA-N 0 0 192.258 2.347 10 30 AEEERN CC[C@@](C)(C#N)CO[C@H]1CCCOC1 308489266 573072106 /nfs/dbraw/zinc/07/21/06/573072106.db2.gz PTUYSCYMHASBDZ-QWRGUYRKSA-N 0 0 197.278 2.122 10 30 AEEERN CCC[C@H](S)[C@@H](CC)CO 238268658 573072199 /nfs/dbraw/zinc/07/21/99/573072199.db2.gz PFJAIVCAIFDUGK-YUMQZZPRSA-N 0 0 162.298 2.103 10 30 AEEERN N#Cc1cccc2c1SC(=O)C2O 306852984 573072288 /nfs/dbraw/zinc/07/22/88/573072288.db2.gz STTPMNGNQUIHKI-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C(\C)C1CC1 308253881 573072290 /nfs/dbraw/zinc/07/22/90/573072290.db2.gz JFZWSIZETZJRBU-FLOXNTQESA-N 0 0 180.247 2.460 10 30 AEEERN CC[C@H](C)CC(=O)OC[C@@H](C)C#N 308253703 573072297 /nfs/dbraw/zinc/07/22/97/573072297.db2.gz CQVJHBJPFFFCJV-IUCAKERBSA-N 0 0 183.251 2.125 10 30 AEEERN CC[C@@H](C)CC(=O)OC[C@H](C)C#N 308253704 573072306 /nfs/dbraw/zinc/07/23/06/573072306.db2.gz CQVJHBJPFFFCJV-RKDXNWHRSA-N 0 0 183.251 2.125 10 30 AEEERN C#CCON[C@H](CCC(C)C)C1CC1 308491811 573081426 /nfs/dbraw/zinc/08/14/26/573081426.db2.gz AAAZMPWMOCCBTG-GFCCVEGCSA-N 0 0 195.306 2.356 10 30 AEEERN C[C@H]1CC(C)(C)CC[C@]1(O)CC#N 88134059 573081197 /nfs/dbraw/zinc/08/11/97/573081197.db2.gz KNVKDFLSEYFHNH-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN N#CCCOc1ccc2ocnc2c1 259324564 573088075 /nfs/dbraw/zinc/08/80/75/573088075.db2.gz CVGHDUMGCFADJL-UHFFFAOYSA-N 0 0 188.186 2.120 10 30 AEEERN C/C=C/C(=O)/C=C/CC 114525170 573089899 /nfs/dbraw/zinc/08/98/99/573089899.db2.gz HIHGJPMEFFCGEZ-YDFGWWAZSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCNC(C)=C(CC)C(=O)OCC 308258594 573090956 /nfs/dbraw/zinc/09/09/56/573090956.db2.gz WFVMZLWENYHSSY-KTKRTIGZSA-N 0 0 197.278 2.009 10 30 AEEERN CC[C@@]1(C=O)O[C@H]1c1ccccc1 238275418 573091021 /nfs/dbraw/zinc/09/10/21/573091021.db2.gz LSWRZGLJPMVZFA-QWRGUYRKSA-N 0 0 176.215 2.106 10 30 AEEERN CS[C@]1(C#N)CC[C@@H]1C 85629980 573091200 /nfs/dbraw/zinc/09/12/00/573091200.db2.gz LRTRDOQJSJWBMD-BQBZGAKWSA-N 0 0 141.239 2.042 10 30 AEEERN C#C[C@@](C)(CC)c1ccc[nH]1 238275009 573091241 /nfs/dbraw/zinc/09/12/41/573091241.db2.gz REKLKVVMDNHDAC-JTQLQIEISA-N 0 0 147.221 2.316 10 30 AEEERN COc1ccc(F)cc1[C@H](F)C=O 257943429 573091347 /nfs/dbraw/zinc/09/13/47/573091347.db2.gz VIYOLCHDFAMXFP-MRVPVSSYSA-N 0 0 186.157 2.044 10 30 AEEERN C#CCCNC(=O)C(C(C)C)C(C)C 308500493 573091381 /nfs/dbraw/zinc/09/13/81/573091381.db2.gz WDLHEMLXLRWVHG-UHFFFAOYSA-N 0 0 195.306 2.054 10 30 AEEERN C=CC[C@]1(CC)CC=CC1=O 238275791 573091405 /nfs/dbraw/zinc/09/14/05/573091405.db2.gz GXFLQLWWYJVQFV-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C#CC(=O)[C@](C)(CC)C(C)C 238275278 573091415 /nfs/dbraw/zinc/09/14/15/573091415.db2.gz TZSRBOIPCCQNLH-SNVBAGLBSA-N 0 0 152.237 2.261 10 30 AEEERN CCN=C=CC(=O)c1ccccc1 238278994 573103441 /nfs/dbraw/zinc/10/34/41/573103441.db2.gz KCLKAZRCLVBSIF-UHFFFAOYSA-N 0 0 173.215 2.115 10 30 AEEERN C#C[C@H](C)OC(=O)CCC(C)(C)C 308260099 573092585 /nfs/dbraw/zinc/09/25/85/573092585.db2.gz MXZUFJOXQSGVGC-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN CC=C=C[C@@](C)(C=O)CC 238275799 573092694 /nfs/dbraw/zinc/09/26/94/573092694.db2.gz KYKPQUUYIXLJLW-HSOSERFQSA-N 0 0 138.210 2.333 10 30 AEEERN CCS[C@@]1(C#N)CC[C@H]1C 85630003 573092725 /nfs/dbraw/zinc/09/27/25/573092725.db2.gz KSDXKJVVQBMQBC-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN CCc1ncc2sc(C#N)c(C)n12 259324772 573092753 /nfs/dbraw/zinc/09/27/53/573092753.db2.gz DGKBXASEBWSNRX-UHFFFAOYSA-N 0 0 191.259 2.138 10 30 AEEERN CC[C@@H](NCC#N)c1ccc(F)cc1 308500275 573092755 /nfs/dbraw/zinc/09/27/55/573092755.db2.gz GEVUYSXFEKFDMT-LLVKDONJSA-N 0 0 192.237 2.390 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1ccoc1 308258919 573092771 /nfs/dbraw/zinc/09/27/71/573092771.db2.gz MLSURXIHFPVNJZ-MRVPVSSYSA-N 0 0 180.203 2.401 10 30 AEEERN C/N=C(/COc1ccccc1)SC 258528586 573106938 /nfs/dbraw/zinc/10/69/38/573106938.db2.gz CSMDKCBUUQHCGF-KHPPLWFESA-N 0 0 195.287 2.457 10 30 AEEERN O=CC[C@H](C(F)F)C1CCC1 258479474 573106985 /nfs/dbraw/zinc/10/69/85/573106985.db2.gz JCSBXAZUGJWEJG-ZETCQYMHSA-N 0 0 162.179 2.257 10 30 AEEERN CCn1cc(C[C@@](C)(C=O)CC)cn1 317639527 573121501 /nfs/dbraw/zinc/12/15/01/573121501.db2.gz XNKNOWYQALOQIP-NSHDSACASA-N 0 0 194.278 2.061 10 30 AEEERN C#CCC[C@]1(O)CCO[C@](C)(CC)C1 69896853 573114950 /nfs/dbraw/zinc/11/49/50/573114950.db2.gz WUDCVPOYYBVPAM-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN C=CCCCC[C@H](C)NC(=O)OC 308274363 573121536 /nfs/dbraw/zinc/12/15/36/573121536.db2.gz UTCGWIPPXVNZFD-VIFPVBQESA-N 0 0 185.267 2.477 10 30 AEEERN CC[C@H]1CC(=O)C(=O)C1CCC#N 238286577 573115076 /nfs/dbraw/zinc/11/50/76/573115076.db2.gz FXOYASDOFSGYLY-ZETCQYMHSA-N 0 0 179.219 2.101 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)C1(C)CCC1 686130969 573118384 /nfs/dbraw/zinc/11/83/84/573118384.db2.gz NXBUFPMNJPEFCR-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)C1(C)CCC1 686130967 573118653 /nfs/dbraw/zinc/11/86/53/573118653.db2.gz NXBUFPMNJPEFCR-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN C[Si](C)(C)C#C[C@@H](O)c1ccoc1 197997980 573118658 /nfs/dbraw/zinc/11/86/58/573118658.db2.gz WCXKOVKWSXVXNS-SNVBAGLBSA-N 0 0 194.306 2.194 10 30 AEEERN O=CC[C@H](CF)C1CCCC1 258530675 573122271 /nfs/dbraw/zinc/12/22/71/573122271.db2.gz NHQFOGMKBIDXBS-SECBINFHSA-N 0 0 158.216 2.351 10 30 AEEERN C[C@](O)(CC#N)c1cccc(F)c1F 235716683 573122366 /nfs/dbraw/zinc/12/23/66/573122366.db2.gz VVVQUXJLHXGVOI-JTQLQIEISA-N 0 0 197.184 2.086 10 30 AEEERN CC(=NNC[C@H]1C[C@@H]1C)C(F)(F)F 308273369 573128474 /nfs/dbraw/zinc/12/84/74/573128474.db2.gz TZBBJCHYCQTLFF-CAHLUQPWSA-N 0 0 194.200 2.170 10 30 AEEERN Cc1cc(CC#N)c(C)c(C)c1O 259337513 573128477 /nfs/dbraw/zinc/12/84/77/573128477.db2.gz GYGNXOFSDMZWNG-UHFFFAOYSA-N 0 0 175.231 2.384 10 30 AEEERN CCc1nc(C)c(C#N)n1C(C)C 74306972 573129146 /nfs/dbraw/zinc/12/91/46/573129146.db2.gz CZXHRWIJIMWWRK-UHFFFAOYSA-N 0 0 177.251 2.207 10 30 AEEERN O=CC1(C[C@H]2CC[C@@H](C3CC3)O2)CC1 715491440 573134911 /nfs/dbraw/zinc/13/49/11/573134911.db2.gz BGMSJTMXAFCWMM-MNOVXSKESA-N 0 0 194.274 2.313 10 30 AEEERN Cc1nc2cc([C@H]3C[C@@H]3C#N)ccc2[nH]1 259339608 573134992 /nfs/dbraw/zinc/13/49/92/573134992.db2.gz ZANHDWKKRCIOIZ-NXEZZACHSA-N 0 0 197.241 2.498 10 30 AEEERN CC(C)N1Cc2csc(C#N)c2C1 259338908 573135021 /nfs/dbraw/zinc/13/50/21/573135021.db2.gz FEEFTJOSDZNDRO-UHFFFAOYSA-N 0 0 192.287 2.344 10 30 AEEERN N#Cc1cc(F)cc2scc(N)c12 306549203 573135094 /nfs/dbraw/zinc/13/50/94/573135094.db2.gz BZXWYOGIZHEVGZ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN O=CC1(C[C@@H]2CC[C@@H](C3CC3)O2)CC1 715491441 573135106 /nfs/dbraw/zinc/13/51/06/573135106.db2.gz BGMSJTMXAFCWMM-QWRGUYRKSA-N 0 0 194.274 2.313 10 30 AEEERN N#Cc1cc(F)c2sccc2c1N 306548187 573137551 /nfs/dbraw/zinc/13/75/51/573137551.db2.gz BKTSRXVSOZXFQF-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C#CCCC[C@H](O)C1(OC)CCCC1 128811123 573137569 /nfs/dbraw/zinc/13/75/69/573137569.db2.gz HLBJUHNFPFJNQA-NSHDSACASA-N 0 0 196.290 2.110 10 30 AEEERN C=C[C@H](OC(=O)[C@@H]1C[C@H]1C)C1CC1 308287394 573151034 /nfs/dbraw/zinc/15/10/34/573151034.db2.gz ZRAAQDBDGBAAKW-QNSHHTMESA-N 0 0 180.247 2.150 10 30 AEEERN C#CCCCC(=O)OC[C@@H](C)CC 308288225 573151042 /nfs/dbraw/zinc/15/10/42/573151042.db2.gz FLCRJZQOJVIJLX-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN COC1(c2cccc(C#N)c2)CC1 259340649 573137709 /nfs/dbraw/zinc/13/77/09/573137709.db2.gz HFGDSPULBWNYKV-UHFFFAOYSA-N 0 0 173.215 2.194 10 30 AEEERN CN[C@H](CC#N)c1sccc1C 259341269 573137724 /nfs/dbraw/zinc/13/77/24/573137724.db2.gz KJALZOBRZLXPJC-MRVPVSSYSA-N 0 0 180.276 2.231 10 30 AEEERN N#CCc1c(Cl)ccnc1Cl 114911268 573137883 /nfs/dbraw/zinc/13/78/83/573137883.db2.gz LLXPOYJDDBFUBF-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN C=C(C)COC(=O)[C@H]1CCC1(F)F 308281737 573144855 /nfs/dbraw/zinc/14/48/55/573144855.db2.gz XZYJJXCPJIKLAC-SSDOTTSWSA-N 0 0 190.189 2.151 10 30 AEEERN CCc1scc(C#N)c1C 259346107 573147024 /nfs/dbraw/zinc/14/70/24/573147024.db2.gz CLVVMVXSLGCNTP-UHFFFAOYSA-N 0 0 151.234 2.491 10 30 AEEERN CC[C@@H](C#N)c1nc(C)c(C)[nH]1 258551824 573147517 /nfs/dbraw/zinc/14/75/17/573147517.db2.gz KUOWRSOYPXYMBH-QMMMGPOBSA-N 0 0 163.224 2.044 10 30 AEEERN CC(C)(F)[C@H](CC=O)C1CC1 258539083 573148679 /nfs/dbraw/zinc/14/86/79/573148679.db2.gz OFYAXWGAGYQRHF-MRVPVSSYSA-N 0 0 158.216 2.350 10 30 AEEERN Cc1ccccc1[C@H](C#N)c1ncc[nH]1 259347509 573150853 /nfs/dbraw/zinc/15/08/53/573150853.db2.gz ZLQAXQIXESXJLA-NSHDSACASA-N 0 0 197.241 2.374 10 30 AEEERN C[C@@H](C=O)CC1CCCC1 82762858 573183305 /nfs/dbraw/zinc/18/33/05/573183305.db2.gz MZCNZXKQYGIDSN-MRVPVSSYSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCC[C@@H](C)C1 85879912 573183360 /nfs/dbraw/zinc/18/33/60/573183360.db2.gz GTYFECKNYYAAIU-KXUCPTDWSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H]1C(C)=CC(=O)[C@@H]1C 238294480 573154948 /nfs/dbraw/zinc/15/49/48/573154948.db2.gz IKZRELFVAGWLNZ-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)c1cccc(F)c1 85880799 573183409 /nfs/dbraw/zinc/18/34/09/573183409.db2.gz COLGSVGVAMEKSL-GZMMTYOYSA-N 0 0 193.221 2.193 10 30 AEEERN C=C[C@@H](O)CCCCCC[C@@H]1CO1 308243118 573183415 /nfs/dbraw/zinc/18/34/15/573183415.db2.gz ZXQIJYQXGPSWMR-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN C[C@@H](C=O)Cc1ccc(F)cc1F 82762890 573183421 /nfs/dbraw/zinc/18/34/21/573183421.db2.gz DRMIWORBESMFIV-SSDOTTSWSA-N 0 0 184.185 2.342 10 30 AEEERN C1=C[C@@H]2CC(=NOCC3CC3)[C@@H]2C1 308295734 573183435 /nfs/dbraw/zinc/18/34/35/573183435.db2.gz UUYJKCMMGPUHSL-NXEZZACHSA-N 0 0 177.247 2.365 10 30 AEEERN C[C@@H]1C[C@]1(C)OC(=O)CCCC#N 308296269 573183469 /nfs/dbraw/zinc/18/34/69/573183469.db2.gz JZYHHNYCTQAXMR-SCZZXKLOSA-N 0 0 181.235 2.022 10 30 AEEERN CC(C)(O)C1(C#N)CCCCC1 85881313 573183078 /nfs/dbraw/zinc/18/30/78/573183078.db2.gz JGTYDEQLEFPWRH-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN Cc1ccc([C@](C)(O)[C@H](C)C#N)cc1 85880687 573183165 /nfs/dbraw/zinc/18/31/65/573183165.db2.gz DWFIKNAOMBVZQF-ZYHUDNBSSA-N 0 0 189.258 2.362 10 30 AEEERN C=C1C=C([C@@H](O)CC)CCC1 238305326 573183168 /nfs/dbraw/zinc/18/31/68/573183168.db2.gz FRQFBBZNFZJQJX-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H](C=O)Cc1ccc(F)cc1 82762867 573183176 /nfs/dbraw/zinc/18/31/76/573183176.db2.gz BHZCRQKGEVUYMR-QMMMGPOBSA-N 0 0 166.195 2.203 10 30 AEEERN C[C@H](C#N)[C@@](C)(O)c1cccc(F)c1 85880801 573183197 /nfs/dbraw/zinc/18/31/97/573183197.db2.gz COLGSVGVAMEKSL-LDYMZIIASA-N 0 0 193.221 2.193 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C1=COCC1 717233696 573183238 /nfs/dbraw/zinc/18/32/38/573183238.db2.gz GCJWFRKXTLGQTL-PXIYARARSA-N 0 0 192.258 2.152 10 30 AEEERN CC[C@H](C)C#CCC(C)=O 238305118 573183239 /nfs/dbraw/zinc/18/32/39/573183239.db2.gz VJYHOCBLZZPHFM-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN CC[C@@H]1CC[C@](C#N)([C@H](O)CC)C1 85891289 573195279 /nfs/dbraw/zinc/19/52/79/573195279.db2.gz PJHLCMVUIYARMN-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN C/C=C(\C)C(=O)O[C@@H](C#N)C(C)C 308303825 573195292 /nfs/dbraw/zinc/19/52/92/573195292.db2.gz NGYZNRNSXFQQFQ-QRJSTWQJSA-N 0 0 181.235 2.044 10 30 AEEERN CC1CCC(C#N)([C@H](C)O)CC1 85891101 573195297 /nfs/dbraw/zinc/19/52/97/573195297.db2.gz NRIJIRHKNDUGLX-KYHHOPLUSA-N 0 0 167.252 2.087 10 30 AEEERN CNC(C)=[NH+][N-]c1ccccc1Cl 238310147 573195313 /nfs/dbraw/zinc/19/53/13/573195313.db2.gz JQLMEHGPXNRMRU-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)(CO)C1 85893071 573195328 /nfs/dbraw/zinc/19/53/28/573195328.db2.gz RMLVWNVAJJLBGT-ZJUUUORDSA-N 0 0 167.252 2.089 10 30 AEEERN Cc1ccsc1[C@](C)(O)[C@H](C)C#N 85892895 573195342 /nfs/dbraw/zinc/19/53/42/573195342.db2.gz CSYPZERDBABTGK-PSASIEDQSA-N 0 0 195.287 2.424 10 30 AEEERN CCCC[C@H](O)[C@H](C#N)CC 85891624 573195346 /nfs/dbraw/zinc/19/53/46/573195346.db2.gz GMGVJGQTOIRQRQ-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN C[C@@H]1CCC[C@H]([S@@](=O)CCC#N)C1 82787862 573195362 /nfs/dbraw/zinc/19/53/62/573195362.db2.gz OQJJWUYQDMIFEV-GBIKHYSHSA-N 0 0 199.319 2.227 10 30 AEEERN C/C=C(\C)C(=O)O[C@H](C#N)C(C)C 308303828 573195364 /nfs/dbraw/zinc/19/53/64/573195364.db2.gz NGYZNRNSXFQQFQ-WHXYTISESA-N 0 0 181.235 2.044 10 30 AEEERN CCN(CCCC(C)(C)C#N)OC 308302206 573195377 /nfs/dbraw/zinc/19/53/77/573195377.db2.gz LHXMWFOKEDNHEE-UHFFFAOYSA-N 0 0 184.283 2.200 10 30 AEEERN CC(C)(C#N)[C@@H](O)C1CCCC1 85889735 573195399 /nfs/dbraw/zinc/19/53/99/573195399.db2.gz FMOICJPXWPGMJL-VIFPVBQESA-N 0 0 167.252 2.087 10 30 AEEERN CCC[C@H](O)[C@@]1(C#N)CC[C@H](C)C1 85890272 573195410 /nfs/dbraw/zinc/19/54/10/573195410.db2.gz HBQDSSYNDHFWDE-DCAQKATOSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)C1CCCC1 85889777 573195454 /nfs/dbraw/zinc/19/54/54/573195454.db2.gz YNXLEBDTQFANAO-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H](CC#N)[S@](=O)c1ccccc1 82788108 573195456 /nfs/dbraw/zinc/19/54/56/573195456.db2.gz AWXYBIJTTPUNAZ-NOZJJQNGSA-N 0 0 193.271 2.096 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)C1CCCC1 85889718 573195465 /nfs/dbraw/zinc/19/54/65/573195465.db2.gz MNCNSUCQPCRVJH-GHMZBOCLSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](C#N)[S@@](=O)c1ccccc1 82788110 573195469 /nfs/dbraw/zinc/19/54/69/573195469.db2.gz FTPDJDHPURWNRQ-ZANVPECISA-N 0 0 193.271 2.096 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)C(C)(C)C 85892380 573195521 /nfs/dbraw/zinc/19/55/21/573195521.db2.gz DGSULLMSSPZJPQ-SCZZXKLOSA-N 0 0 169.268 2.333 10 30 AEEERN C=CCc1cccc2c1N(C)CC2 238314075 573195525 /nfs/dbraw/zinc/19/55/25/573195525.db2.gz HKVIYSLKGDAULX-UHFFFAOYSA-N 0 0 173.259 2.407 10 30 AEEERN CC(C)(C)C[C@H](O)C(C)(C)C#N 85892751 573195549 /nfs/dbraw/zinc/19/55/49/573195549.db2.gz IAMZSHRBYCHTDO-QMMMGPOBSA-N 0 0 169.268 2.333 10 30 AEEERN N#CC1([C@@H](O)c2ccoc2)CCC1 85889122 573195566 /nfs/dbraw/zinc/19/55/66/573195566.db2.gz QCWCCFFUHPPMDX-VIFPVBQESA-N 0 0 177.203 2.007 10 30 AEEERN Cc1cc(F)ccc1[C@@H](O)[C@H](C)C#N 85889519 573195589 /nfs/dbraw/zinc/19/55/89/573195589.db2.gz KZNJVVFFFJIPAA-KCJUWKMLSA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@@H](C#N)[S@](=O)c1ccccc1 82788114 573195596 /nfs/dbraw/zinc/19/55/96/573195596.db2.gz FTPDJDHPURWNRQ-TVQRCGJNSA-N 0 0 193.271 2.096 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)c1ccoc1 85889057 573195598 /nfs/dbraw/zinc/19/55/98/573195598.db2.gz FOXCMJQJLKRDMN-UWVGGRQHSA-N 0 0 179.219 2.253 10 30 AEEERN CCC(=NOC)c1ncccc1C 308300891 573195601 /nfs/dbraw/zinc/19/56/01/573195601.db2.gz LVKCKUBNLPCFIG-UHFFFAOYSA-N 0 0 178.235 2.151 10 30 AEEERN Cc1cc([C@H](O)[C@@H](C)C#N)ccc1F 85889265 573195608 /nfs/dbraw/zinc/19/56/08/573195608.db2.gz WRDICIWEUXOGSM-GZMMTYOYSA-N 0 0 193.221 2.327 10 30 AEEERN C=C(C)[C@H](C#N)OC(=O)[C@@H](C)CC 308301130 573195630 /nfs/dbraw/zinc/19/56/30/573195630.db2.gz LYEPQKCPBYZMPG-IUCAKERBSA-N 0 0 181.235 2.044 10 30 AEEERN C=Cc1ccccc1C#C[C@@H](O)CC 238302881 573195659 /nfs/dbraw/zinc/19/56/59/573195659.db2.gz WMOOWGORAMIUHG-ZDUSSCGKSA-N 0 0 186.254 2.452 10 30 AEEERN CCc1ccccc1[C@H](O)[C@H](C)C#N 85889552 573195685 /nfs/dbraw/zinc/19/56/85/573195685.db2.gz LRCUIORECROXBV-BXKDBHETSA-N 0 0 189.258 2.442 10 30 AEEERN C=C[C@@H](C)NC(=O)/C=C/C(C)=C/C 308301175 573195688 /nfs/dbraw/zinc/19/56/88/573195688.db2.gz MBLTXTMWYZZJRO-RVRNBGKESA-N 0 0 179.263 2.200 10 30 AEEERN C[C@H](C#N)C1(O)CCC(C)(C)CC1 85894118 573195710 /nfs/dbraw/zinc/19/57/10/573195710.db2.gz QYOCJCULYCSJMO-SECBINFHSA-N 0 0 181.279 2.477 10 30 AEEERN N#CC1([C@@H](O)[C@H]2CC=CCC2)CCC1 85890736 573195722 /nfs/dbraw/zinc/19/57/22/573195722.db2.gz JWNXPJDSDNWJOI-QWRGUYRKSA-N 0 0 191.274 2.397 10 30 AEEERN CCc1ccc2c(c1)CC[C@H]2C=O 257966431 573195817 /nfs/dbraw/zinc/19/58/17/573195817.db2.gz XZJUWGITXHSFPC-NSHDSACASA-N 0 0 174.243 2.478 10 30 AEEERN Cc1ccc(-c2c(C)noc2C#N)o1 259368409 573195824 /nfs/dbraw/zinc/19/58/24/573195824.db2.gz DPPDSRKZPQPSDG-UHFFFAOYSA-N 0 0 188.186 2.423 10 30 AEEERN N#CC1([C@H](O)C2CCCC2)CCC1 85889808 573195839 /nfs/dbraw/zinc/19/58/39/573195839.db2.gz WTMRKDWLJSHFMV-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)C1CCCC1 85889728 573195860 /nfs/dbraw/zinc/19/58/60/573195860.db2.gz MNCNSUCQPCRVJH-WDEREUQCSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCCC(C)(C)C1 85894288 573195867 /nfs/dbraw/zinc/19/58/67/573195867.db2.gz JJCYZNLQSGMLIQ-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](O)C1(C#N)CCC(C)CC1 85891447 573195909 /nfs/dbraw/zinc/19/59/09/573195909.db2.gz GYURKKFYVRHSER-HSOILSAZSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1cc(F)ccc1[C@H](O)[C@H](C)C#N 85889517 573195968 /nfs/dbraw/zinc/19/59/68/573195968.db2.gz KZNJVVFFFJIPAA-LDYMZIIASA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@@H]1CC2=C(C1)C(=O)CC2 238302851 573195969 /nfs/dbraw/zinc/19/59/69/573195969.db2.gz MBWDXWYMKGQDPU-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN CC(C)(C#N)[C@H](O)C1CCCC1 85889731 573196023 /nfs/dbraw/zinc/19/60/23/573196023.db2.gz FMOICJPXWPGMJL-SECBINFHSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)(C#N)[C@@H](O)[C@@H]1CC=CCC1 85890656 573196047 /nfs/dbraw/zinc/19/60/47/573196047.db2.gz UXRPFFNWOUTPHD-ZJUUUORDSA-N 0 0 179.263 2.253 10 30 AEEERN CCC1CCC(C#N)([C@H](C)O)CC1 85891145 573196054 /nfs/dbraw/zinc/19/60/54/573196054.db2.gz KTCKBRCVWXTPAU-WHXUTIOJSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CCC[C@@](O)([C@@H](C)C#N)C1 85893973 573196068 /nfs/dbraw/zinc/19/60/68/573196068.db2.gz LYQLEDDFWXPBFG-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](c1ccccc1)[C@H](O)[C@H](C)C#N 85891955 573196080 /nfs/dbraw/zinc/19/60/80/573196080.db2.gz AIMIWOILOURRGO-JFGNBEQYSA-N 0 0 189.258 2.311 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)c1ccoc1 85889050 573196092 /nfs/dbraw/zinc/19/60/92/573196092.db2.gz FOXCMJQJLKRDMN-ZJUUUORDSA-N 0 0 179.219 2.253 10 30 AEEERN Cc1cc([C@H](O)[C@H](C)C#N)ccc1F 85889272 573196108 /nfs/dbraw/zinc/19/61/08/573196108.db2.gz WRDICIWEUXOGSM-LDYMZIIASA-N 0 0 193.221 2.327 10 30 AEEERN C[C@@H]1CCC[C@](C#N)([C@@H](C)O)C1 85890918 573196120 /nfs/dbraw/zinc/19/61/20/573196120.db2.gz UABNOXRKSLRMDQ-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](O)C1(C#N)CCCCC1 85891451 573196128 /nfs/dbraw/zinc/19/61/28/573196128.db2.gz GGMWQNVRQSTIIG-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)CCSC 85891754 573196135 /nfs/dbraw/zinc/19/61/35/573196135.db2.gz LHDDJBYBUSXMRL-RKDXNWHRSA-N 0 0 187.308 2.040 10 30 AEEERN CCc1ccc2c(c1)CC[C@@H]2C=O 257966428 573196137 /nfs/dbraw/zinc/19/61/37/573196137.db2.gz XZJUWGITXHSFPC-LLVKDONJSA-N 0 0 174.243 2.478 10 30 AEEERN CC(C)C[C@@H](O)C1(C#N)CCCC1 85890466 573196168 /nfs/dbraw/zinc/19/61/68/573196168.db2.gz NYZMYCABDVIJSJ-SNVBAGLBSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)C1(O)CCC(C)(C)CC1 85894116 573196182 /nfs/dbraw/zinc/19/61/82/573196182.db2.gz QYOCJCULYCSJMO-VIFPVBQESA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)([C@@H](C)O)C1 85890909 573196213 /nfs/dbraw/zinc/19/62/13/573196213.db2.gz UABNOXRKSLRMDQ-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CCCCCC[C@@H](O)[C@H](C)C#N 85892028 573196218 /nfs/dbraw/zinc/19/62/18/573196218.db2.gz GENPAXRWBCXXTO-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN CCC[C@@H](O)[C@](C)(C#N)CC 85890193 573196223 /nfs/dbraw/zinc/19/62/23/573196223.db2.gz ZEVHHNKVBCKNLO-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CCc1ccccc1[C@@H](O)[C@@H](C)C#N 85889550 573196232 /nfs/dbraw/zinc/19/62/32/573196232.db2.gz LRCUIORECROXBV-CABZTGNLSA-N 0 0 189.258 2.442 10 30 AEEERN CC[C@H](C)C(=O)O[C@](C)(C#N)CC 308308823 573211669 /nfs/dbraw/zinc/21/16/69/573211669.db2.gz PUXNNMOCXMQORP-WPRPVWTQSA-N 0 0 183.251 2.268 10 30 AEEERN N#Cc1cc(C(F)F)cc2c1OCO2 257971093 573211799 /nfs/dbraw/zinc/21/17/99/573211799.db2.gz CWFSJRXGTWSIRS-UHFFFAOYSA-N 0 0 197.140 2.225 10 30 AEEERN C[C@@H](CC=O)c1ccc(F)c(CO)c1 257971075 573211861 /nfs/dbraw/zinc/21/18/61/573211861.db2.gz CVYCMLOJEBHTEM-QMMMGPOBSA-N 0 0 196.221 2.011 10 30 AEEERN N#Cc1cc(Cl)c2c(c1)CCO2 257971391 573211901 /nfs/dbraw/zinc/21/19/01/573211901.db2.gz IIKGJDNZQVKBHC-UHFFFAOYSA-N 0 0 179.606 2.147 10 30 AEEERN C#CCSc1cccc(N)c1C 85933983 573211920 /nfs/dbraw/zinc/21/19/20/573211920.db2.gz IYAALCFMNQMRRU-UHFFFAOYSA-N 0 0 177.272 2.303 10 30 AEEERN CN[C@@H](C#N)c1ccccc1SC 238313851 573212210 /nfs/dbraw/zinc/21/22/10/573212210.db2.gz DNHAKFPVNMPCAG-VIFPVBQESA-N 0 0 192.287 2.193 10 30 AEEERN CC[C@H](C)C(=O)O[C@@](C)(C#N)CC 308308822 573212259 /nfs/dbraw/zinc/21/22/59/573212259.db2.gz PUXNNMOCXMQORP-WCBMZHEXSA-N 0 0 183.251 2.268 10 30 AEEERN C[C@H](F)[C@@H](C=O)c1cccc(O)c1 257971843 573212268 /nfs/dbraw/zinc/21/22/68/573212268.db2.gz YQRKCAWDRSANBO-OIBJUYFYSA-N 0 0 182.194 2.033 10 30 AEEERN N#Cc1cc(N)c2sc(F)cc2c1 306576239 573212298 /nfs/dbraw/zinc/21/22/98/573212298.db2.gz KCQWBEOHWLFKNA-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C[C@H](F)[C@H](C=O)c1cccc(O)c1 257971848 573212307 /nfs/dbraw/zinc/21/23/07/573212307.db2.gz YQRKCAWDRSANBO-XVKPBYJWSA-N 0 0 182.194 2.033 10 30 AEEERN CC(C)c1[nH]c(C2CC2)nc1C#N 77595011 573215057 /nfs/dbraw/zinc/21/50/57/573215057.db2.gz WKUKDCZIYHNQBH-UHFFFAOYSA-N 0 0 175.235 2.282 10 30 AEEERN O=CC[C@@H]1Cc2cccc(F)c2C1 257973129 573215079 /nfs/dbraw/zinc/21/50/79/573215079.db2.gz YVBNLEUEKNVPFQ-MRVPVSSYSA-N 0 0 178.206 2.130 10 30 AEEERN C=C([C@H](CC)CO)[Si](C)(C)C 238306889 573215159 /nfs/dbraw/zinc/21/51/59/573215159.db2.gz OJQDAKNMBUDTLB-SECBINFHSA-N 0 0 172.344 2.439 10 30 AEEERN C#C[C@H](C)Nc1ccc(C)cc1C#N 235542149 573215396 /nfs/dbraw/zinc/21/53/96/573215396.db2.gz QSZWSKQDGGSIIP-JTQLQIEISA-N 0 0 184.242 2.300 10 30 AEEERN O=C[C@@H]1CCCC[C@@H]2C[C@@H]12 258588758 573217381 /nfs/dbraw/zinc/21/73/81/573217381.db2.gz SZMPTANMPWPWBX-HRDYMLBCSA-N 0 0 138.210 2.012 10 30 AEEERN N#Cc1nc(-c2ccco2)[nH]c1C1CC1 77595326 573217383 /nfs/dbraw/zinc/21/73/83/573217383.db2.gz KRUYFYDTVAHDNB-UHFFFAOYSA-N 0 0 199.213 2.419 10 30 AEEERN CNc1nc(C2CCC2)c(C#N)s1 259378612 573216727 /nfs/dbraw/zinc/21/67/27/573216727.db2.gz VZSZDWQSISHQSY-UHFFFAOYSA-N 0 0 193.275 2.324 10 30 AEEERN N#Cc1nc(C2CC2)[nH]c1C1CC1 77595265 573216775 /nfs/dbraw/zinc/21/67/75/573216775.db2.gz GDUOAGRHABWJNL-UHFFFAOYSA-N 0 0 173.219 2.036 10 30 AEEERN CCC[N@@H+]1CCC(C)(C)[C@H](C#N)C1 259377609 573216803 /nfs/dbraw/zinc/21/68/03/573216803.db2.gz VVWSCURLBOLGDH-SNVBAGLBSA-N 0 0 180.295 2.268 10 30 AEEERN C#C[C@@H]1C(C)=CC(=O)[C@]1(C)CC 238308382 573216831 /nfs/dbraw/zinc/21/68/31/573216831.db2.gz XIAVJFQSVNJWQE-MWLCHTKSSA-N 0 0 162.232 2.181 10 30 AEEERN C=CCCCC(=O)NCC/C=C\C 308319695 573216954 /nfs/dbraw/zinc/21/69/54/573216954.db2.gz XVNMIJFCNBHEFJ-XQRVVYSFSA-N 0 0 181.279 2.425 10 30 AEEERN N#Cc1cc(F)ccc1-n1cccc1 126542864 573217105 /nfs/dbraw/zinc/21/71/05/573217105.db2.gz FGMFBSDWEWDFDS-UHFFFAOYSA-N 0 0 186.189 2.488 10 30 AEEERN CCC[N@@H+]1CCC(C)(C)[C@@H](C#N)C1 259377605 573217291 /nfs/dbraw/zinc/21/72/91/573217291.db2.gz VVWSCURLBOLGDH-JTQLQIEISA-N 0 0 180.295 2.268 10 30 AEEERN C#CCCS[C@H](C)c1nc(C)no1 308316477 573217355 /nfs/dbraw/zinc/21/73/55/573217355.db2.gz VWBPZGUUJFDIEY-SSDOTTSWSA-N 0 0 196.275 2.196 10 30 AEEERN C=CC[C@H](NN)[C@@H]1CC2CCC1CC2 308518882 573222583 /nfs/dbraw/zinc/22/25/83/573222583.db2.gz QBAJPBJXRUBVSL-HCWSGVFWSA-N 0 0 194.322 2.221 10 30 AEEERN C[C@]1(C=O)CCCSCC1 258594663 573222595 /nfs/dbraw/zinc/22/25/95/573222595.db2.gz UHKXZAMJEJIRRZ-QMMMGPOBSA-N 0 0 158.266 2.109 10 30 AEEERN CCSc1nsc(NC)c1C#N 238309383 573222733 /nfs/dbraw/zinc/22/27/33/573222733.db2.gz LUGSMHHGFJRIIU-UHFFFAOYSA-N 0 0 199.304 2.168 10 30 AEEERN C[C@H](C#N)N(C)C/C(Cl)=C/Cl 86000108 573222740 /nfs/dbraw/zinc/22/27/40/573222740.db2.gz HJWZFBRFXOQNJY-NPQKIFFKSA-N 0 0 193.077 2.149 10 30 AEEERN C=C[C@@H](C)CN(C)C(=O)/C(C)=C\C 308318112 573222757 /nfs/dbraw/zinc/22/27/57/573222757.db2.gz WXQPYANULLYYMZ-SBMLRHLQSA-N 0 0 181.279 2.233 10 30 AEEERN CC(C)[C@@H](C#N)CNCc1ccco1 258594354 573222925 /nfs/dbraw/zinc/22/29/25/573222925.db2.gz GTHRUGMJTBECPU-JTQLQIEISA-N 0 0 192.262 2.165 10 30 AEEERN C=C[C@@H](C)CN(C)C(=O)/C(C)=C/C 308318113 573223068 /nfs/dbraw/zinc/22/30/68/573223068.db2.gz WXQPYANULLYYMZ-YIXGCBLDSA-N 0 0 181.279 2.233 10 30 AEEERN CC#CCC[C@@]1(CC)CCCNC1=O 238309419 573223086 /nfs/dbraw/zinc/22/30/86/573223086.db2.gz QFDFZAZXGHMVGS-LBPRGKRZSA-N 0 0 193.290 2.096 10 30 AEEERN CN(CS)Cc1ccccc1 258592616 573223160 /nfs/dbraw/zinc/22/31/60/573223160.db2.gz GKFLPKWYRCLXKZ-UHFFFAOYSA-N 0 0 167.277 2.006 10 30 AEEERN C=CCC[C@](C)(O)Cc1ccncc1 132139510 573229181 /nfs/dbraw/zinc/22/91/81/573229181.db2.gz OIYUGNLFQDNTHU-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN C[C@H]1C[C@H](N(C)CC#N)CC[C@H]1C 82841887 573229187 /nfs/dbraw/zinc/22/91/87/573229187.db2.gz QUULHGFLCGWZGK-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN CC1=CCC[C@H](CC=O)C1 115899857 573229199 /nfs/dbraw/zinc/22/91/99/573229199.db2.gz FNCYDCAURLKZAD-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H]1C[C@H]1/N=C\c1ccccc1O 308312542 573228572 /nfs/dbraw/zinc/22/85/72/573228572.db2.gz SIMVRLNHCVCOOJ-IDRIWEEKSA-N 0 0 175.231 2.220 10 30 AEEERN N#Cc1cc(C2CC2)sc1N 258599703 573228619 /nfs/dbraw/zinc/22/86/19/573228619.db2.gz UTYGDNXNNJNURC-UHFFFAOYSA-N 0 0 164.233 2.079 10 30 AEEERN C[C@H]1C[C@H](C=O)CC[C@H]1C 82843333 573228705 /nfs/dbraw/zinc/22/87/05/573228705.db2.gz RDYPINYAOMHGON-HRDYMLBCSA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)Cc1ncc(C#N)s1 98108713 573228761 /nfs/dbraw/zinc/22/87/61/573228761.db2.gz KGPOCTHMFRIOHA-UHFFFAOYSA-N 0 0 166.249 2.213 10 30 AEEERN CC(C)Nc1cc(C#N)cc(Cl)n1 115889331 573228944 /nfs/dbraw/zinc/22/89/44/573228944.db2.gz VQXRTMKVHJULLQ-UHFFFAOYSA-N 0 0 195.653 2.427 10 30 AEEERN C[C@@H](C#N)c1c[nH]c(-c2ccco2)n1 259387144 573229003 /nfs/dbraw/zinc/22/90/03/573229003.db2.gz ADXWKTCDFSQTTM-ZETCQYMHSA-N 0 0 187.202 2.297 10 30 AEEERN CC#CCCCOC(=O)/C(C)=C\C 308311511 573229085 /nfs/dbraw/zinc/22/90/85/573229085.db2.gz RRTAUEHQXHSYDC-YHYXMXQVSA-N 0 0 180.247 2.299 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@H]1C[C@H]1CC 715713242 573229109 /nfs/dbraw/zinc/22/91/09/573229109.db2.gz DUDZDLKGGJMZJL-VLEAKVRGSA-N 0 0 182.311 2.077 10 30 AEEERN CC/C=C/C(=O)c1cccnc1OC 308528928 573236932 /nfs/dbraw/zinc/23/69/32/573236932.db2.gz KBXADCCSRMOEDG-QPJJXVBHSA-N 0 0 191.230 2.239 10 30 AEEERN C=CCC[C@](C)(O)c1cncc(F)c1 132179109 573236305 /nfs/dbraw/zinc/23/63/05/573236305.db2.gz DKZYOLKEHISPBE-NSHDSACASA-N 0 0 195.237 2.394 10 30 AEEERN Cc1cccc([C@@](C)(O)CCC=O)c1 308527899 573236342 /nfs/dbraw/zinc/23/63/42/573236342.db2.gz JIHAKSPCQSWHKR-LBPRGKRZSA-N 0 0 192.258 2.182 10 30 AEEERN N#C[C@H]1C[C@H](C2CCCC2)CCN1 259388639 573236388 /nfs/dbraw/zinc/23/63/88/573236388.db2.gz AFUOYOLQIWVSBG-GHMZBOCLSA-N 0 0 178.279 2.068 10 30 AEEERN Nc1ccc2cc(CS)oc2c1 257976461 573236416 /nfs/dbraw/zinc/23/64/16/573236416.db2.gz JFAKCAXAPFCIDI-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN C=C(C)CC(=O)[C@H]1C[C@H]1C 86023694 573236421 /nfs/dbraw/zinc/23/64/21/573236421.db2.gz GQGFMDNZYFRKNR-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C#CC(C)(C)NC(=O)C1(CCC)CC1 308527529 573236425 /nfs/dbraw/zinc/23/64/25/573236425.db2.gz JNGCBFWVGQSZDJ-UHFFFAOYSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC[C@H](CC)NC(=O)C1(CC)CC1 308526245 573236547 /nfs/dbraw/zinc/23/65/47/573236547.db2.gz IZYONAQPUBUJNJ-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN Cc1ccc2c(c1)CC[C@H](C#N)CO2 259388679 573236566 /nfs/dbraw/zinc/23/65/66/573236566.db2.gz AGTUTKGSMWOGQZ-SNVBAGLBSA-N 0 0 187.242 2.460 10 30 AEEERN C=C(C)C(=O)[C@H]1Cc2ccccc21 86023119 573236640 /nfs/dbraw/zinc/23/66/40/573236640.db2.gz OCMDHVVIJDPYSI-NSHDSACASA-N 0 0 172.227 2.472 10 30 AEEERN CC[C@H]1C[C@H]1Nc1cccc(C#N)n1 227652472 573236695 /nfs/dbraw/zinc/23/66/95/573236695.db2.gz RRGLGKXYTMXOFV-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN C=C(C)C(=O)c1cccc(C)n1 86022910 573236760 /nfs/dbraw/zinc/23/67/60/573236760.db2.gz NATVMOJETQFPBG-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)C(=O)[C@@H]1Cc2ccccc21 86023117 573236770 /nfs/dbraw/zinc/23/67/70/573236770.db2.gz OCMDHVVIJDPYSI-LLVKDONJSA-N 0 0 172.227 2.472 10 30 AEEERN N#Cc1cc(N)c2c(F)csc2c1 306583829 573236874 /nfs/dbraw/zinc/23/68/74/573236874.db2.gz RDVXMKZREHYKFZ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#Cc1csc2cc(N)c(F)cc12 306581392 573236881 /nfs/dbraw/zinc/23/68/81/573236881.db2.gz PQWMXBJTVAIWDZ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=CC[C@@H]1C=CC[C@@H](C/C=C/CO)O1 308529212 573244574 /nfs/dbraw/zinc/24/45/74/573244574.db2.gz BYQZLACPECCGAJ-BLDJZWNYSA-N 0 0 194.274 2.215 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc2c(c1)CCCO2 259390974 573244610 /nfs/dbraw/zinc/24/46/10/573244610.db2.gz RNPATZXDKUCOPZ-PELKAZGASA-N 0 0 190.242 2.471 10 30 AEEERN CC(C)(C)Oc1cnc(C#N)c(F)c1 116050786 573244689 /nfs/dbraw/zinc/24/46/89/573244689.db2.gz FYLIHBCPGJFNII-UHFFFAOYSA-N 0 0 194.209 2.270 10 30 AEEERN C#CCCCCN[C@H](C)C(F)(F)F 308320571 573244038 /nfs/dbraw/zinc/24/40/38/573244038.db2.gz AUQLFWGNDTUAGA-MRVPVSSYSA-N 0 0 193.212 2.330 10 30 AEEERN C=CC[C@@H](NN)C1C(C)(C)C1(C)C 129151152 573244236 /nfs/dbraw/zinc/24/42/36/573244236.db2.gz XITVUEOYFCDWES-MRVPVSSYSA-N 0 0 182.311 2.077 10 30 AEEERN C#CC(C)(C)Nc1nc(C)ccc1C#N 69682112 573244292 /nfs/dbraw/zinc/24/42/92/573244292.db2.gz ASENUGXBJRHRRY-UHFFFAOYSA-N 0 0 199.257 2.085 10 30 AEEERN CC[C@H](C)C(C)=NN[C@@H](C)COC 308321149 573244304 /nfs/dbraw/zinc/24/43/04/573244304.db2.gz YRCGPRFBPFLVGG-IUCAKERBSA-N 0 0 186.299 2.033 10 30 AEEERN C=CC[C@@H](NN)c1ccccc1CC 129155383 573244311 /nfs/dbraw/zinc/24/43/11/573244311.db2.gz CQUJCQXXMAHJAP-GFCCVEGCSA-N 0 0 190.290 2.330 10 30 AEEERN C=CCN[C@H](C#N)C1(CC)CCC1 686132770 573244329 /nfs/dbraw/zinc/24/43/29/573244329.db2.gz LGWXEQQLBCCHBW-SNVBAGLBSA-N 0 0 178.279 2.234 10 30 AEEERN CCN[C@H](C#N)C1(C(C)C)CCC1 686132496 573244341 /nfs/dbraw/zinc/24/43/41/573244341.db2.gz FBAOIPJEOKQCEM-SNVBAGLBSA-N 0 0 180.295 2.314 10 30 AEEERN N#CCCCC1CCC1 259044100 573244379 /nfs/dbraw/zinc/24/43/79/573244379.db2.gz DBWPNQJITVNUCR-UHFFFAOYSA-N 0 0 123.199 2.480 10 30 AEEERN C=C(C)CC(O)(CC(=C)C)[C@H](C)O 238418937 573244389 /nfs/dbraw/zinc/24/43/89/573244389.db2.gz OZBQHKIEAPNXDI-JTQLQIEISA-N 0 0 184.279 2.031 10 30 AEEERN CC(=O)/C=C\[C@]1(C)[C@H](C)CCC[C@H]1O 308529165 573244458 /nfs/dbraw/zinc/24/44/58/573244458.db2.gz BVBCKGAJFFNHRA-FYTGQRCVSA-N 0 0 196.290 2.319 10 30 AEEERN C=CCC[C@@](C)(O)COCCC 132199808 573244471 /nfs/dbraw/zinc/24/44/71/573244471.db2.gz WWDQOICRLCHIKF-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN Cc1ccc(C[C@H](N)C#N)c(C)c1C 259043931 573244524 /nfs/dbraw/zinc/24/45/24/573244524.db2.gz KWBZPHAJOOHVNY-LBPRGKRZSA-N 0 0 188.274 2.005 10 30 AEEERN SCc1ccn(C2CCCC2)n1 82867496 573250733 /nfs/dbraw/zinc/25/07/33/573250733.db2.gz XHGWGNQKGZVINW-UHFFFAOYSA-N 0 0 182.292 2.428 10 30 AEEERN O=CCC[C@H]1CCc2cccnc21 86737996 573600565 /nfs/dbraw/zinc/60/05/65/573600565.db2.gz PNZDOJYZZWCLGH-JTQLQIEISA-N 0 0 175.231 2.091 10 30 AEEERN COc1cc(C#N)c2cc(C)[nH]c2c1 238456957 573600586 /nfs/dbraw/zinc/60/05/86/573600586.db2.gz MQFBBAYYWHWJMR-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN CC[C@H](C=O)[C@H]1C=CCC1 75526304 573600606 /nfs/dbraw/zinc/60/06/06/573600606.db2.gz KJEJXAVXUBAQRL-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCCCCCn1occc1=O 308321927 573250331 /nfs/dbraw/zinc/25/03/31/573250331.db2.gz BVAKXERTHIGWRA-UHFFFAOYSA-N 0 0 181.235 2.188 10 30 AEEERN C=CC[C@H](C)[C@@H](NN)C1(C(C)C)CC1 715732060 573250406 /nfs/dbraw/zinc/25/04/06/573250406.db2.gz IQCOZHBLJYMWJV-WDEREUQCSA-N 0 0 196.338 2.467 10 30 AEEERN C=CCCCN(C)C(=O)/C(C)=C/C 308322364 573250440 /nfs/dbraw/zinc/25/04/40/573250440.db2.gz ZNYJBTIKIBSZQH-UXBLZVDNSA-N 0 0 181.279 2.377 10 30 AEEERN C=CCC[C@H](C)C1=CC(=O)C[C@H]1CO 238419855 573250608 /nfs/dbraw/zinc/25/06/08/573250608.db2.gz PGFWYCBHPUELJN-UWVGGRQHSA-N 0 0 194.274 2.096 10 30 AEEERN C=CCCCC[NH2+][C@H](C)[C@@H](C)C#N 308329370 573258523 /nfs/dbraw/zinc/25/85/23/573258523.db2.gz JLLLWUNFBTWRAP-WDEREUQCSA-N 0 0 180.295 2.480 10 30 AEEERN COc1cc(C#N)c2ccoc2c1 238457042 573600648 /nfs/dbraw/zinc/60/06/48/573600648.db2.gz MUSOWBYAYVHOJF-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN CS[C@@H]1CC[C@H](N(C)[C@@H](C)C#N)C1 687962350 573600662 /nfs/dbraw/zinc/60/06/62/573600662.db2.gz PEMPDJVVXYGYDN-LPEHRKFASA-N 0 0 198.335 2.114 10 30 AEEERN C[C@@H](C=O)C[C@H]1CCc2cccnc21 86738038 573600734 /nfs/dbraw/zinc/60/07/34/573600734.db2.gz MGZKQUDGOMEVMT-MWLCHTKSSA-N 0 0 189.258 2.337 10 30 AEEERN C=C[C@@H](C)CN(C)c1nc(C)ns1 308329079 573258115 /nfs/dbraw/zinc/25/81/15/573258115.db2.gz JGTKYZLXHJDWPD-SSDOTTSWSA-N 0 0 197.307 2.105 10 30 AEEERN C=CCCCC[NH2+][C@@H](C)[C@@H](C)C#N 308329368 573258138 /nfs/dbraw/zinc/25/81/38/573258138.db2.gz JLLLWUNFBTWRAP-QWRGUYRKSA-N 0 0 180.295 2.480 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H](C)CCCC 308329235 573258212 /nfs/dbraw/zinc/25/82/12/573258212.db2.gz HTPFGGQENIKQMT-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C=C(CO)c1ccc(C)s1 258264404 573258259 /nfs/dbraw/zinc/25/82/59/573258259.db2.gz RJWDVSQNURSCGV-UHFFFAOYSA-N 0 0 154.234 2.062 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)CCCC 308329237 573258266 /nfs/dbraw/zinc/25/82/66/573258266.db2.gz HTPFGGQENIKQMT-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)CCCC 308329240 573258293 /nfs/dbraw/zinc/25/82/93/573258293.db2.gz HTPFGGQENIKQMT-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN N#Cc1occc1-c1cccc(N)c1 259397157 573258302 /nfs/dbraw/zinc/25/83/02/573258302.db2.gz BAACEPMJPATAIC-UHFFFAOYSA-N 0 0 184.198 2.400 10 30 AEEERN O=CCc1csc(C2CCC2)n1 258260616 573258306 /nfs/dbraw/zinc/25/83/06/573258306.db2.gz XHWOAYIJHSOKOY-UHFFFAOYSA-N 0 0 181.260 2.152 10 30 AEEERN C[C@@H]1OC(c2ccccc2)=CC1=O 116268245 573258477 /nfs/dbraw/zinc/25/84/77/573258477.db2.gz AKDQJNLANWFEAB-QMMMGPOBSA-N 0 0 174.199 2.015 10 30 AEEERN C=C[C@H](C)CN(C)c1nc(C)ns1 308329080 573258480 /nfs/dbraw/zinc/25/84/80/573258480.db2.gz JGTKYZLXHJDWPD-ZETCQYMHSA-N 0 0 197.307 2.105 10 30 AEEERN CC(C)(C)C1(C2(C#N)CC2)COC1 259057943 573259240 /nfs/dbraw/zinc/25/92/40/573259240.db2.gz BFCQQSAERNBQCD-UHFFFAOYSA-N 0 0 179.263 2.353 10 30 AEEERN CCCNN=C1CCc2ccsc21 308329230 573259241 /nfs/dbraw/zinc/25/92/41/573259241.db2.gz HTMAYYXUJDRGLA-UHFFFAOYSA-N 0 0 194.303 2.398 10 30 AEEERN C#CCCCCC(=O)OC(C)C 222970307 573259353 /nfs/dbraw/zinc/25/93/53/573259353.db2.gz ABOLQZPZRKNJJA-UHFFFAOYSA-N 0 0 168.236 2.132 10 30 AEEERN Cc1ccnn1-c1ccc(CC#N)cc1 257981643 573258745 /nfs/dbraw/zinc/25/87/45/573258745.db2.gz DTYDTKGZIZURLS-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C=CCC[C@]1(CO)CCCCC[C@@H]1O 215113932 573258814 /nfs/dbraw/zinc/25/88/14/573258814.db2.gz UMMSPJCSFCRFNB-NWDGAFQWSA-N 0 0 198.306 2.256 10 30 AEEERN C=CCSCc1nnc(C2CC2)[nH]1 308329723 573258889 /nfs/dbraw/zinc/25/88/89/573258889.db2.gz JUZVUKJPZVCAQA-UHFFFAOYSA-N 0 0 195.291 2.101 10 30 AEEERN C[C@@H](CC=O)c1ccc(O)c(F)c1 257981598 573258957 /nfs/dbraw/zinc/25/89/57/573258957.db2.gz DTMXAEMWOBJFLJ-ZETCQYMHSA-N 0 0 182.194 2.224 10 30 AEEERN CC[C@H](C#N)[C@H](c1ccc[nH]1)N(C)C 259056760 573258976 /nfs/dbraw/zinc/25/89/76/573258976.db2.gz CIGNHUFCEAQSQH-MWLCHTKSSA-N 0 0 191.278 2.167 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H](C)CCCC 308329238 573259085 /nfs/dbraw/zinc/25/90/85/573259085.db2.gz HTPFGGQENIKQMT-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN O=C(c1ccc2ccccc2c1)[C@H]1CO1 259061534 573259164 /nfs/dbraw/zinc/25/91/64/573259164.db2.gz DTCKDGDCMJQUCK-GFCCVEGCSA-N 0 0 198.221 2.421 10 30 AEEERN Cc1coc(-c2oc(C)nc2C#N)c1 259397171 573259187 /nfs/dbraw/zinc/25/91/87/573259187.db2.gz BAKFAQTUMLBSKX-UHFFFAOYSA-N 0 0 188.186 2.423 10 30 AEEERN N#CCc1nccc(C2CCCC2)n1 259061471 573263094 /nfs/dbraw/zinc/26/30/94/573263094.db2.gz KDXCKAJBZCLVKT-UHFFFAOYSA-N 0 0 187.246 2.200 10 30 AEEERN C=C[C@H](C1CCCCC1)[C@H](O)[C@@H](C)O 308531652 573263184 /nfs/dbraw/zinc/26/31/84/573263184.db2.gz CSCGWEMPIVWHDR-YUSALJHKSA-N 0 0 198.306 2.111 10 30 AEEERN C=C(CC=O)Cc1cccs1 258262305 573262400 /nfs/dbraw/zinc/26/24/00/573262400.db2.gz RHKQBPSEYUQNGB-UHFFFAOYSA-N 0 0 166.245 2.436 10 30 AEEERN O=CC[C@@H]1CSc2cccc(O)c21 258263320 573262459 /nfs/dbraw/zinc/26/24/59/573262459.db2.gz YMUVNUJRQHSVFZ-SSDOTTSWSA-N 0 0 194.255 2.171 10 30 AEEERN CC[C@H](C)ON=CC[C@@H]1CCOC1 308332526 573262488 /nfs/dbraw/zinc/26/24/88/573262488.db2.gz JORZIJFUEMZSOR-VHSXEESVSA-N 0 0 185.267 2.214 10 30 AEEERN C=C(C)[C@@H]1C(=C)CCC[C@@H]1O 142462357 573262511 /nfs/dbraw/zinc/26/25/11/573262511.db2.gz QUDZQFLTGZFKLG-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=CCC[C@@]1(O)C[C@H](OC)C12CCC2 308332355 573262624 /nfs/dbraw/zinc/26/26/24/573262624.db2.gz FFUHJMZKJXXZPP-CMPLNLGQSA-N 0 0 196.290 2.273 10 30 AEEERN c1cc(SCCC[C@@H]2CO2)ccn1 308331758 573262793 /nfs/dbraw/zinc/26/27/93/573262793.db2.gz LAKRRZUDKIQBHI-SECBINFHSA-N 0 0 195.287 2.353 10 30 AEEERN CC(C)(C=O)/C=C/C(=O)OC(C)(C)C 308331871 573262810 /nfs/dbraw/zinc/26/28/10/573262810.db2.gz DFGDURLFOQNXBZ-VOTSOKGWSA-N 0 0 198.262 2.109 10 30 AEEERN CC[C@H](C)O/[NH+]=C/c1ccc(N)cc1 308331902 573262836 /nfs/dbraw/zinc/26/28/36/573262836.db2.gz DMGIVDOOVJSATD-ITTMYVLYSA-N 0 0 192.262 2.418 10 30 AEEERN COc1cc(F)c(C#N)cc1Cl 258121258 573262894 /nfs/dbraw/zinc/26/28/94/573262894.db2.gz QRTOLGMWUHPPQQ-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN Oc1ccc2c(CS)c[nH]c2c1 257982249 573263018 /nfs/dbraw/zinc/26/30/18/573263018.db2.gz JQRVIFUOMIHROX-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN CC#CC[C@@H](CCC1CCCC1)NN 129389967 573277460 /nfs/dbraw/zinc/27/74/60/573277460.db2.gz BLCFZANBDGTYKE-LBPRGKRZSA-N 0 0 194.322 2.202 10 30 AEEERN Cn1nccc1C(=O)C1=CCCCC1 236099570 573277745 /nfs/dbraw/zinc/27/77/45/573277745.db2.gz QTXVOSFJDNQASU-UHFFFAOYSA-N 0 0 190.246 2.103 10 30 AEEERN O=CC[C@H]1Cc2c(Cl)cccc2O1 258276461 573277854 /nfs/dbraw/zinc/27/78/54/573277854.db2.gz SVYGUXHRWUOBOA-ZETCQYMHSA-N 0 0 196.633 2.233 10 30 AEEERN C=C1CC[C@H](C(C)(C)OC)C[C@@H]1O 238330801 573277867 /nfs/dbraw/zinc/27/78/67/573277867.db2.gz PSVIKYYHYJUAJU-UWVGGRQHSA-N 0 0 184.279 2.129 10 30 AEEERN COc1ccc([C@@H]2O[C@@H]2C)cc1C 258618136 573277885 /nfs/dbraw/zinc/27/78/85/573277885.db2.gz BECIWLPHRNXWNE-LDYMZIIASA-N 0 0 178.231 2.463 10 30 AEEERN CCCOc1ccccc1C[C@@H]1CO1 132351813 573290161 /nfs/dbraw/zinc/29/01/61/573290161.db2.gz HVTVUUHFWUMOQR-LLVKDONJSA-N 0 0 192.258 2.417 10 30 AEEERN Fc1ccccc1OCCC[C@H]1CO1 308534788 573290268 /nfs/dbraw/zinc/29/02/68/573290268.db2.gz RKQRUKAVPOAMBS-VIFPVBQESA-N 0 0 196.221 2.384 10 30 AEEERN C=C(CC=O)c1cccs1 258281766 573289603 /nfs/dbraw/zinc/28/96/03/573289603.db2.gz SQAAAJRTLFPEGG-UHFFFAOYSA-N 0 0 152.218 2.350 10 30 AEEERN CCc1ccccc1[C@@H](F)C=O 258620086 573289713 /nfs/dbraw/zinc/28/97/13/573289713.db2.gz WPGWHPRBBLYBEO-JTQLQIEISA-N 0 0 166.195 2.459 10 30 AEEERN N#C[C@@H](C(F)F)C1CCC1 258490405 573289764 /nfs/dbraw/zinc/28/97/64/573289764.db2.gz KCUZIZZEKJVVLX-ZCFIWIBFSA-N 0 0 145.152 2.191 10 30 AEEERN Cc1c(C#N)cc(-c2ccccn2)n1C 259404527 573289809 /nfs/dbraw/zinc/28/98/09/573289809.db2.gz YWSKKKHXZWSOAA-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN C#CC[C@@H](CC)NC(=O)C(CC)CC 126054416 573289822 /nfs/dbraw/zinc/28/98/22/573289822.db2.gz CSWZKNXCSGGRRK-LLVKDONJSA-N 0 0 195.306 2.341 10 30 AEEERN O[C@@H](CS)c1ccc(Cl)s1 258280492 573289842 /nfs/dbraw/zinc/28/98/42/573289842.db2.gz VEVRPVPNZQXIHT-BYPYZUCNSA-N 0 0 194.708 2.365 10 30 AEEERN CC[C@@](O)(CCC=O)c1ccccc1 308541783 573289901 /nfs/dbraw/zinc/28/99/01/573289901.db2.gz MXNVWYZCPUUMFL-GFCCVEGCSA-N 0 0 192.258 2.263 10 30 AEEERN O=C1C=Cc2cc3occc3c(O)c21 222992569 573289913 /nfs/dbraw/zinc/28/99/13/573289913.db2.gz PYHUFUKMZPQDGI-UHFFFAOYSA-N 0 0 186.166 2.348 10 30 AEEERN C=C(C)c1ccc(N)c(OC)c1 238333997 573290056 /nfs/dbraw/zinc/29/00/56/573290056.db2.gz OAYROODNZZMNMI-UHFFFAOYSA-N 0 0 163.220 2.311 10 30 AEEERN O=CCNc1ccc(F)c(Cl)c1 258621031 573290087 /nfs/dbraw/zinc/29/00/87/573290087.db2.gz JOAKRJBCNBTTGU-UHFFFAOYSA-N 0 0 187.601 2.090 10 30 AEEERN C=C(CC=O)C[C@H]1CCCCO1 258281782 573290098 /nfs/dbraw/zinc/29/00/98/573290098.db2.gz SQFLLGLBFXCAAS-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN COc1ccccc1NCCCS 258620771 573290112 /nfs/dbraw/zinc/29/01/12/573290112.db2.gz JMAHOJRHZDWZES-UHFFFAOYSA-N 0 0 197.303 2.427 10 30 AEEERN Cc1ccc([C@@H](O)CCC=O)c(C)c1 308534538 573290156 /nfs/dbraw/zinc/29/01/56/573290156.db2.gz KZQKZVSYGOPUSF-LBPRGKRZSA-N 0 0 192.258 2.316 10 30 AEEERN COc1cncc(C(F)F)c1CC#N 238344785 573312212 /nfs/dbraw/zinc/31/22/12/573312212.db2.gz PURNKVYAQGZVNZ-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C#CCCC[C@@H](NN)C1(CCC)CC1 308545767 573312247 /nfs/dbraw/zinc/31/22/47/573312247.db2.gz PNRIXNQKTYQJBU-LLVKDONJSA-N 0 0 194.322 2.202 10 30 AEEERN CCCC[C@H](C=O)SC 75537839 573601757 /nfs/dbraw/zinc/60/17/57/573601757.db2.gz NULXRWZDSASLDQ-SSDOTTSWSA-N 0 0 146.255 2.107 10 30 AEEERN Cc1cc(C[C@@H](C)C=O)ccc1C#N 238457470 573601764 /nfs/dbraw/zinc/60/17/64/573601764.db2.gz NZFURUQPESVQGG-SECBINFHSA-N 0 0 187.242 2.244 10 30 AEEERN C=C[C@H]([NH2+]C)c1sccc1OC 130565743 573601834 /nfs/dbraw/zinc/60/18/34/573601834.db2.gz YPBXXCHLXIWWDZ-ZETCQYMHSA-N 0 0 183.276 2.203 10 30 AEEERN Cc1ccc(Cl)c(O)c1CCC=O 258252801 573312683 /nfs/dbraw/zinc/31/26/83/573312683.db2.gz XUMZRWRHSSLEMF-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN Cc1ccc([C@@H]2O[C@@H]2C)o1 259413670 573312812 /nfs/dbraw/zinc/31/28/12/573312812.db2.gz SXMBDXSSELORRF-HTRCEHHLSA-N 0 0 138.166 2.048 10 30 AEEERN Cc1ccc([C@@H]2O[C@H]2C)o1 259413672 573312843 /nfs/dbraw/zinc/31/28/43/573312843.db2.gz SXMBDXSSELORRF-POYBYMJQSA-N 0 0 138.166 2.048 10 30 AEEERN COc1ccccc1C#CCF 238342445 573322530 /nfs/dbraw/zinc/32/25/30/573322530.db2.gz BXVKDIGNEAUPIA-UHFFFAOYSA-N 0 0 164.179 2.016 10 30 AEEERN CNc1nc(C(C)(C)C)c(C#N)s1 259414862 573322619 /nfs/dbraw/zinc/32/26/19/573322619.db2.gz YMXLUJBIIDASMZ-UHFFFAOYSA-N 0 0 195.291 2.354 10 30 AEEERN C[C@@H]1C=CCC(C)(C)[C@@H]1C=O 117104203 573322673 /nfs/dbraw/zinc/32/26/73/573322673.db2.gz BTWUQYXRVLEFBW-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@@H](C)[C@H](C)CC=O 117109956 573322689 /nfs/dbraw/zinc/32/26/89/573322689.db2.gz AFFOREKIFCONEL-HTQZYQBOSA-N 0 0 128.215 2.258 10 30 AEEERN COc1c(C)ccc(C)c1CCC=O 258003885 573322826 /nfs/dbraw/zinc/32/28/26/573322826.db2.gz GUGJENWOKYESHH-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN N#Cc1ccc(N[C@H]2C[C@@H]2C2CC2)nc1 308859467 573322862 /nfs/dbraw/zinc/32/28/62/573322862.db2.gz AMCOKFKFYNPXHQ-MNOVXSKESA-N 0 0 199.257 2.164 10 30 AEEERN CC[C@H](C)[C@H](C)CC=O 117109959 573322910 /nfs/dbraw/zinc/32/29/10/573322910.db2.gz AFFOREKIFCONEL-JGVFFNPUSA-N 0 0 128.215 2.258 10 30 AEEERN N#CCc1c[nH]c2ccc3c(c12)CCO3 259416390 573322955 /nfs/dbraw/zinc/32/29/55/573322955.db2.gz IDAGOLHVLXIJCH-UHFFFAOYSA-N 0 0 198.225 2.169 10 30 AEEERN C=CCc1c(OC)ccc(C#N)c1O 238341141 573323166 /nfs/dbraw/zinc/32/31/66/573323166.db2.gz HCMVJJSZIRFNOK-UHFFFAOYSA-N 0 0 189.214 2.001 10 30 AEEERN C#CCCCn1cc(OC(C)C)cn1 308560391 573333429 /nfs/dbraw/zinc/33/34/29/573333429.db2.gz VQAWKDSZUHNAIK-UHFFFAOYSA-N 0 0 192.262 2.084 10 30 AEEERN CCCC[C@H]1OCCC[C@@H]1C#N 86245176 573333448 /nfs/dbraw/zinc/33/34/48/573333448.db2.gz AYRRGOVQWKCQFJ-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CCc1ccc([C@H]2OCC[C@@H]2C#N)o1 86245156 573333468 /nfs/dbraw/zinc/33/34/68/573333468.db2.gz BQALEKGJJDTZSY-KCJUWKMLSA-N 0 0 191.230 2.443 10 30 AEEERN C#CC[C@H](CC)NC(=O)[C@@H](C)CCC 126085745 573333481 /nfs/dbraw/zinc/33/34/81/573333481.db2.gz OEZIUPRPVLILSB-QWRGUYRKSA-N 0 0 195.306 2.341 10 30 AEEERN N#C[C@H]1CCO[C@@H]1C1CCCC1 86245136 573334132 /nfs/dbraw/zinc/33/41/32/573334132.db2.gz SEUYZKVUVRLKCP-NXEZZACHSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@H]1C[C@H]1CNN=CC1CCCC1 308346219 573333534 /nfs/dbraw/zinc/33/35/34/573333534.db2.gz VMXDWQVTGHQHIF-ONGXEEELSA-N 0 0 180.295 2.408 10 30 AEEERN N#C[C@H]1CCCO[C@H]1C1CCCC1 86245237 573333603 /nfs/dbraw/zinc/33/36/03/573333603.db2.gz VWKJNFWUVLZMJK-MNOVXSKESA-N 0 0 179.263 2.495 10 30 AEEERN C=C1C[C@H]2CC3(C[C@@H]2C1)OCCO3 222673293 573333645 /nfs/dbraw/zinc/33/36/45/573333645.db2.gz RROGEYVFOFJERA-UWVGGRQHSA-N 0 0 180.247 2.106 10 30 AEEERN CCCC[C@@H]1OCCC[C@@H]1C#N 86245177 573333654 /nfs/dbraw/zinc/33/36/54/573333654.db2.gz AYRRGOVQWKCQFJ-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CC1CC(Nc2cnccc2C#N)C1 135542940 573333668 /nfs/dbraw/zinc/33/36/68/573333668.db2.gz UBFUJAYETFRNBZ-UHFFFAOYSA-N 0 0 187.246 2.164 10 30 AEEERN CCc1ccc(CC#N)c(OC)c1 238358882 573333693 /nfs/dbraw/zinc/33/36/93/573333693.db2.gz GIESHQDXFBPJJK-UHFFFAOYSA-N 0 0 175.231 2.324 10 30 AEEERN CCC[C@@H]1OCCC[C@H]1C#N 86245219 573333725 /nfs/dbraw/zinc/33/37/25/573333725.db2.gz WIEYAFAEOJJABM-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CC(C)C[C@H]1OCCC[C@H]1C#N 86245198 573333780 /nfs/dbraw/zinc/33/37/80/573333780.db2.gz IDWPXQXXMKOXCM-VHSXEESVSA-N 0 0 167.252 2.351 10 30 AEEERN CCc1ccc(CC#N)c(O)c1 238358864 573333801 /nfs/dbraw/zinc/33/38/01/573333801.db2.gz YKWBIAVQRLIBAG-UHFFFAOYSA-N 0 0 161.204 2.021 10 30 AEEERN CCCC[C@H]1OCC[C@@H]1C#N 86245064 573333803 /nfs/dbraw/zinc/33/38/03/573333803.db2.gz KEEGDDKFANHJNL-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN N#C[C@]1(Cc2ccoc2)CCCOC1 236165627 573333819 /nfs/dbraw/zinc/33/38/19/573333819.db2.gz CFNQLVMQUYKIKQ-LLVKDONJSA-N 0 0 191.230 2.142 10 30 AEEERN N#C[C@@H]1CCCO[C@H]1c1ccoc1 86245247 573333822 /nfs/dbraw/zinc/33/38/22/573333822.db2.gz VUKAHTJGADCUPT-WCBMZHEXSA-N 0 0 177.203 2.271 10 30 AEEERN N#C[C@@H]1CCO[C@H]1[C@@H]1CC=CCC1 86245072 573333829 /nfs/dbraw/zinc/33/38/29/573333829.db2.gz IVVYWXSNMCKUNN-VWYCJHECSA-N 0 0 177.247 2.271 10 30 AEEERN C[C@@H]1C[C@@H]1CNc1cccnc1C#N 135535326 573333878 /nfs/dbraw/zinc/33/38/78/573333878.db2.gz UCTDZPXYCHOIHT-RKDXNWHRSA-N 0 0 187.246 2.021 10 30 AEEERN N#C[C@@H]1CCCO[C@H]1C1CCCC1 86245235 573333959 /nfs/dbraw/zinc/33/39/59/573333959.db2.gz VWKJNFWUVLZMJK-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H]1CCO[C@H]1Cc1ccccc1 86245059 573334010 /nfs/dbraw/zinc/33/40/10/573334010.db2.gz JPJWXOXTWSVPQA-RYUDHWBXSA-N 0 0 187.242 2.158 10 30 AEEERN CCc1ccc([C@@H]2OCC[C@H]2C#N)o1 86245155 573334029 /nfs/dbraw/zinc/33/40/29/573334029.db2.gz BQALEKGJJDTZSY-GZMMTYOYSA-N 0 0 191.230 2.443 10 30 AEEERN CCCC[C@@H]1OCC[C@@H]1C#N 86245065 573334072 /nfs/dbraw/zinc/33/40/72/573334072.db2.gz KEEGDDKFANHJNL-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CC(C)C[C@@H]1OCCC[C@H]1C#N 86245199 573334105 /nfs/dbraw/zinc/33/41/05/573334105.db2.gz IDWPXQXXMKOXCM-UWVGGRQHSA-N 0 0 167.252 2.351 10 30 AEEERN O=C(c1cccc2ccccc12)[C@@H]1CO1 259086377 573333398 /nfs/dbraw/zinc/33/33/98/573333398.db2.gz GKVHRLDSALSHIW-LBPRGKRZSA-N 0 0 198.221 2.421 10 30 AEEERN C=CC[C@H](C)C(=O)C[C@H]1CCOC1 715774890 573337045 /nfs/dbraw/zinc/33/70/45/573337045.db2.gz RJGAZIJIWPKROA-VHSXEESVSA-N 0 0 182.263 2.194 10 30 AEEERN C[C@H](NN=CC1(C)CCC1)C(F)F 308345214 573337080 /nfs/dbraw/zinc/33/70/80/573337080.db2.gz UUHLPADASANITP-ZETCQYMHSA-N 0 0 190.237 2.406 10 30 AEEERN CC[C@H](C#N)[C@H](N)c1cccc(F)c1 259423505 573337161 /nfs/dbraw/zinc/33/71/61/573337161.db2.gz MVHOXNHCDVJNIJ-KCJUWKMLSA-N 0 0 192.237 2.375 10 30 AEEERN C#CCON=C1CCC[C@@H]1C1CC1 308345589 573337224 /nfs/dbraw/zinc/33/72/24/573337224.db2.gz UYOKRBYWUNSOCU-SNVBAGLBSA-N 0 0 177.247 2.202 10 30 AEEERN C=CC[C@@H](O)/C=C(/C)C=C 223034619 573336596 /nfs/dbraw/zinc/33/65/96/573336596.db2.gz IWJOSWRWZXXPBJ-UFGYOYAJSA-N 0 0 138.210 2.056 10 30 AEEERN C#CCON=C1CCC[C@H]1C1CC1 308345588 573336611 /nfs/dbraw/zinc/33/66/11/573336611.db2.gz UYOKRBYWUNSOCU-JTQLQIEISA-N 0 0 177.247 2.202 10 30 AEEERN C[C@@H]1C[C@@H]1CNN=CC1CCCC1 308346218 573336618 /nfs/dbraw/zinc/33/66/18/573336618.db2.gz VMXDWQVTGHQHIF-MWLCHTKSSA-N 0 0 180.295 2.408 10 30 AEEERN CC[C@@H](C#N)[C@H](N)c1cccc(F)c1 259423506 573336730 /nfs/dbraw/zinc/33/67/30/573336730.db2.gz MVHOXNHCDVJNIJ-KWQFWETISA-N 0 0 192.237 2.375 10 30 AEEERN CC#CCCOC(=O)/C=C/C(C)C 308346267 573336817 /nfs/dbraw/zinc/33/68/17/573336817.db2.gz VQDPJNRQMSIRIT-BQYQJAHWSA-N 0 0 180.247 2.155 10 30 AEEERN [NH3+]C1(C(=O)C2=CCCCCC2)CCC1 236173929 573336942 /nfs/dbraw/zinc/33/69/42/573336942.db2.gz ONXCHCLNYFQBLI-UHFFFAOYSA-N 0 0 193.290 2.327 10 30 AEEERN C/C=C(\CC)C(=O)c1cn(CC)cn1 308559786 573336952 /nfs/dbraw/zinc/33/69/52/573336952.db2.gz VFPCAHFRABKABL-RUDMXATFSA-N 0 0 192.262 2.442 10 30 AEEERN C=CCCOC(=O)c1scnc1C 308364879 573356767 /nfs/dbraw/zinc/35/67/67/573356767.db2.gz GZYDBRNKERZVQY-UHFFFAOYSA-N 0 0 197.259 2.184 10 30 AEEERN CC1(Nc2cc(C#N)ccn2)CCC1 135573468 573356803 /nfs/dbraw/zinc/35/68/03/573356803.db2.gz QGJPRIATIGHWFS-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN C=C[C@H](C)/N=C/c1ccccc1O 238368308 573356805 /nfs/dbraw/zinc/35/68/05/573356805.db2.gz ITENMTCBVYPIDD-KWINOFQJSA-N 0 0 175.231 2.386 10 30 AEEERN CCSc1ccccc1C(C)=NN 308362671 573356832 /nfs/dbraw/zinc/35/68/32/573356832.db2.gz MTDGISCRFJTIJK-UHFFFAOYSA-N 0 0 194.303 2.481 10 30 AEEERN CC(C)(C)c1onc(C#N)c1Cl 82320498 573356136 /nfs/dbraw/zinc/35/61/36/573356136.db2.gz YQKMDDLSQBJFAG-UHFFFAOYSA-N 0 0 184.626 2.497 10 30 AEEERN CC1(Nc2ccc(C#N)cc2N)CC1 135571509 573356298 /nfs/dbraw/zinc/35/62/98/573356298.db2.gz DXAVIMPRAIDFSL-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN CCn1c(C#N)cnc1-c1ccccc1 259426450 573356468 /nfs/dbraw/zinc/35/64/68/573356468.db2.gz TUGDLVCKKONRBT-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN CC1(Nc2cccnc2C#N)CCC1 135573488 573356486 /nfs/dbraw/zinc/35/64/86/573356486.db2.gz GJEGUVAVAOJDIC-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN COc1ccc2c(C#N)c[nH]c2c1C 238367096 573356495 /nfs/dbraw/zinc/35/64/95/573356495.db2.gz ZHRMYRNMRMZBKY-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN N#Cc1ccc(-c2nccs2)nc1 236186616 573361345 /nfs/dbraw/zinc/36/13/45/573361345.db2.gz PQOZJYOBWBJPBO-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN CCCCCNN=CCCOCC 308363468 573361456 /nfs/dbraw/zinc/36/14/56/573361456.db2.gz MXCMLYPQTLRHMV-UHFFFAOYSA-N 0 0 186.299 2.179 10 30 AEEERN O=CCC[C@]1(O)CCC[C@@H](C2CC2)C1 308562617 573360833 /nfs/dbraw/zinc/36/08/33/573360833.db2.gz WXWDUDGVLGOGHH-VXGBXAGGSA-N 0 0 196.290 2.297 10 30 AEEERN C=CCSc1nnc(C)n1C1CC1 308364173 573360888 /nfs/dbraw/zinc/36/08/88/573360888.db2.gz GHKZTQYKWULOGH-UHFFFAOYSA-N 0 0 195.291 2.200 10 30 AEEERN COc1nc(C)c(C#N)cc1C(F)F 238369411 573360947 /nfs/dbraw/zinc/36/09/47/573360947.db2.gz HIMFWBUJGDHXFQ-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN O=CCC[C@@]1(O)CCC[C@@H](C2CC2)C1 308562613 573360963 /nfs/dbraw/zinc/36/09/63/573360963.db2.gz WXWDUDGVLGOGHH-NEPJUHHUSA-N 0 0 196.290 2.297 10 30 AEEERN C=C[C@@H](CC)OC(=O)C1(F)CCC1 308364372 573361024 /nfs/dbraw/zinc/36/10/24/573361024.db2.gz NNWBFPZGPHLUMC-QMMMGPOBSA-N 0 0 186.226 2.386 10 30 AEEERN COc1ccc(NC=CC(C)=O)cc1 238368908 573361048 /nfs/dbraw/zinc/36/10/48/573361048.db2.gz WOOGSULMCFWKNG-BQYQJAHWSA-N 0 0 191.230 2.210 10 30 AEEERN COC(=O)/C(C)=C/CC[C@H](C)CC=O 308362982 573361133 /nfs/dbraw/zinc/36/11/33/573361133.db2.gz CVXNZMGDZSQVGP-CMWXKVOJSA-N 0 0 198.262 2.111 10 30 AEEERN C#C[C@H](C)Oc1ccc(C=O)cc1F 235572981 573361243 /nfs/dbraw/zinc/36/12/43/573361243.db2.gz ILJHUXVTYQCYMG-QMMMGPOBSA-N 0 0 192.189 2.039 10 30 AEEERN C=CC[S@@](=O)CCCCC 112968610 573363725 /nfs/dbraw/zinc/36/37/25/573363725.db2.gz FZWYCWAHWZGRCF-JTQLQIEISA-N 0 0 160.282 2.111 10 30 AEEERN CC[C@@H](C)ON=C1CCCOCC1 308367648 573363726 /nfs/dbraw/zinc/36/37/26/573363726.db2.gz OSSUIUCICWZVAN-SECBINFHSA-N 0 0 185.267 2.358 10 30 AEEERN C=C(C)[C@H]1CC[C@H](C=O)[C@@H](OC)C1 238361982 573363245 /nfs/dbraw/zinc/36/32/45/573363245.db2.gz GFANPIOCUONIQT-AXFHLTTASA-N 0 0 182.263 2.193 10 30 AEEERN CCCC(=NOCCOC)C1CC1 308368613 573363284 /nfs/dbraw/zinc/36/32/84/573363284.db2.gz PFYDIEJREKWWJN-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C=C(C)c1cccc(CNO)c1 258007872 573363406 /nfs/dbraw/zinc/36/34/06/573363406.db2.gz MNOQTXJSMQSJIX-UHFFFAOYSA-N 0 0 163.220 2.199 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)/C=C\CC 308368963 573363469 /nfs/dbraw/zinc/36/34/69/573363469.db2.gz PKYKUJYHPHOGRJ-DMEOUFDRSA-N 0 0 181.279 2.233 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)/C=C/CC 308368966 573363534 /nfs/dbraw/zinc/36/35/34/573363534.db2.gz PKYKUJYHPHOGRJ-JARNTUPDSA-N 0 0 181.279 2.233 10 30 AEEERN C=C1C[C@@H](O)c2ccc(OC)cc21 238361449 573363546 /nfs/dbraw/zinc/36/35/46/573363546.db2.gz DTSQPASRZRAHLV-LLVKDONJSA-N 0 0 176.215 2.146 10 30 AEEERN CN[C@@H](S)c1ccc(C)cc1 259427779 573363575 /nfs/dbraw/zinc/36/35/75/573363575.db2.gz NUUVQKIBJHZVEG-VIFPVBQESA-N 0 0 167.277 2.143 10 30 AEEERN N#CC[C@@H](O)c1cc(Cl)cs1 86334966 573368942 /nfs/dbraw/zinc/36/89/42/573368942.db2.gz KVOHWJCNMCOFHK-ZCFIWIBFSA-N 0 0 187.651 2.349 10 30 AEEERN N#Cc1c[nH]c2c1CCCCC2 259610171 573368945 /nfs/dbraw/zinc/36/89/45/573368945.db2.gz DSTVEGWWHWAWEW-UHFFFAOYSA-N 0 0 160.220 2.155 10 30 AEEERN Cc1nc2ccc(OCC#N)cc2o1 259429484 573368982 /nfs/dbraw/zinc/36/89/82/573368982.db2.gz KHQDYBJPHCHNHJ-UHFFFAOYSA-N 0 0 188.186 2.039 10 30 AEEERN COc1ccc(CC#N)nc1C(F)F 238380342 573368274 /nfs/dbraw/zinc/36/82/74/573368274.db2.gz CFNLEQBEHRBSQX-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN Cc1cc2cccc(CC=O)c2[nH]1 258007978 573368287 /nfs/dbraw/zinc/36/82/87/573368287.db2.gz IWAUADSLENZDRL-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN O=CC#Cc1cccc(C(F)(F)F)c1 258324004 573368360 /nfs/dbraw/zinc/36/83/60/573368360.db2.gz WLIPDNPIRQXWGN-UHFFFAOYSA-N 0 0 198.143 2.256 10 30 AEEERN Cc1ccc([C@@H](CO)CS)s1 258324143 573368467 /nfs/dbraw/zinc/36/84/67/573368467.db2.gz YCPGYMPLEGWWNW-ZETCQYMHSA-N 0 0 188.317 2.062 10 30 AEEERN CCC(C=NNCCCOC)CC 308366602 573368516 /nfs/dbraw/zinc/36/85/16/573368516.db2.gz OFSFCWNGGLLCAE-UHFFFAOYSA-N 0 0 186.299 2.035 10 30 AEEERN C=CC[C@@H]1CCC(=O)C=C1OC 238369863 573368536 /nfs/dbraw/zinc/36/85/36/573368536.db2.gz DNCPRAPGVGQWJD-MRVPVSSYSA-N 0 0 166.220 2.072 10 30 AEEERN CC1(C)C=CCC[C@H]1C=O 117794808 573368567 /nfs/dbraw/zinc/36/85/67/573368567.db2.gz PCEVVVUFLVSBQS-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(CC(=O)OC)CC(C)C 258321838 573368571 /nfs/dbraw/zinc/36/85/71/573368571.db2.gz WEMQEFQJDDSQMK-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN CCC[C@H](C#N)[C@](C)(O)CC 86326530 573368575 /nfs/dbraw/zinc/36/85/75/573368575.db2.gz FVLQGHPSIMZEBM-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN SCc1ccc2c(c1)NCC2 258322996 573368681 /nfs/dbraw/zinc/36/86/81/573368681.db2.gz XSDVSAWAHHEMJX-UHFFFAOYSA-N 0 0 165.261 2.084 10 30 AEEERN COc1c(C)ncc(C#N)c1C(F)F 238370305 573368683 /nfs/dbraw/zinc/36/86/83/573368683.db2.gz LHDMVTWECOWIGO-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN Cc1cc2[nH]c(C#N)cc2s1 259428472 573368702 /nfs/dbraw/zinc/36/87/02/573368702.db2.gz JAJSCDHGXYZXJJ-UHFFFAOYSA-N 0 0 162.217 2.410 10 30 AEEERN COc1cc([C@H](C)C#N)cc(O)c1F 214784238 573368740 /nfs/dbraw/zinc/36/87/40/573368740.db2.gz SLHMXCHQDJVTOE-ZCFIWIBFSA-N 0 0 195.193 2.167 10 30 AEEERN O=C[C@H]1Cc2c(F)cccc2S1 258324923 573368770 /nfs/dbraw/zinc/36/87/70/573368770.db2.gz WSRFVZZDLJQNAK-ZCFIWIBFSA-N 0 0 182.219 2.041 10 30 AEEERN COC(=O)/C=C(\C)CCC[C@H](C)C=O 308365675 573369750 /nfs/dbraw/zinc/36/97/50/573369750.db2.gz JCZTZMDSLHLPHI-PCYYEKQGSA-N 0 0 198.262 2.111 10 30 AEEERN COC1=CC(=O)CCCCC1 238369769 573369859 /nfs/dbraw/zinc/36/98/59/573369859.db2.gz GCGVCYBDESNGLK-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN Cc1c(C#N)c(N)n(C2(C)CC2)c1C 135573878 573369125 /nfs/dbraw/zinc/36/91/25/573369125.db2.gz XDXOAGUFULJGTL-UHFFFAOYSA-N 0 0 189.262 2.068 10 30 AEEERN N#CC1(c2cc(F)c(F)cc2O)CC1 214782032 573369209 /nfs/dbraw/zinc/36/92/09/573369209.db2.gz MSSAQRPPOUEHGJ-UHFFFAOYSA-N 0 0 195.168 2.226 10 30 AEEERN CC1(C)C=CCC[C@@H]1C=O 117794806 573369243 /nfs/dbraw/zinc/36/92/43/573369243.db2.gz PCEVVVUFLVSBQS-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN Nc1cccc2[nH]cc(CS)c12 258637758 573369323 /nfs/dbraw/zinc/36/93/23/573369323.db2.gz LKOMUZMXFRRDBW-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN Cc1nc2c(s1)[C@H](C#N)CCC2 117852663 573369462 /nfs/dbraw/zinc/36/94/62/573369462.db2.gz FFUDKNPQBLHKFG-ZETCQYMHSA-N 0 0 178.260 2.395 10 30 AEEERN Cc1cccc2c1C[C@H](C=O)S2 258320295 573369633 /nfs/dbraw/zinc/36/96/33/573369633.db2.gz WIBLTUQFDIMNNJ-MRVPVSSYSA-N 0 0 178.256 2.211 10 30 AEEERN N#CCCc1nc(C2CCCC2)no1 236194405 573380649 /nfs/dbraw/zinc/38/06/49/573380649.db2.gz QIFGAIBTRZCXNV-UHFFFAOYSA-N 0 0 191.234 2.183 10 30 AEEERN C[C@H](CC=O)C1CCCC1 107156646 573380740 /nfs/dbraw/zinc/38/07/40/573380740.db2.gz BPYKNKFKVPEPNV-MRVPVSSYSA-N 0 0 140.226 2.402 10 30 AEEERN CC[C@@H](CC=O)C1CC1 107155971 573380755 /nfs/dbraw/zinc/38/07/55/573380755.db2.gz NTFYLMGNVQMHMD-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN C[C@@H](CC=O)C1CCCC1 107156645 573380795 /nfs/dbraw/zinc/38/07/95/573380795.db2.gz BPYKNKFKVPEPNV-QMMMGPOBSA-N 0 0 140.226 2.402 10 30 AEEERN CCCC(C)(C)N[C@@H](C#N)CC 126153885 573381030 /nfs/dbraw/zinc/38/10/30/573381030.db2.gz MHAVGOJZRHPRIZ-SECBINFHSA-N 0 0 168.284 2.457 10 30 AEEERN N#CC1(c2cccc3nccn23)CCC1 308786999 573381134 /nfs/dbraw/zinc/38/11/34/573381134.db2.gz BSAKYCQAGYBZJZ-UHFFFAOYSA-N 0 0 197.241 2.280 10 30 AEEERN CC[C@H](CC=O)C1CC1 107155975 573381142 /nfs/dbraw/zinc/38/11/42/573381142.db2.gz NTFYLMGNVQMHMD-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN CC[C@@](Cl)(C#N)C1CC1 83058990 573381209 /nfs/dbraw/zinc/38/12/09/573381209.db2.gz UFCBTMSMNWLXJK-SSDOTTSWSA-N 0 0 143.617 2.308 10 30 AEEERN COc1ccc(C)cc1[C@H]1C[C@@H]1C=O 238375211 573382497 /nfs/dbraw/zinc/38/24/97/573382497.db2.gz SFHUMADBSPFBKA-ZJUUUORDSA-N 0 0 190.242 2.306 10 30 AEEERN Cc1occc1CN[C@@H](C)[C@@H](C)C#N 308566598 573381688 /nfs/dbraw/zinc/38/16/88/573381688.db2.gz ATYAZPFZMPLARS-IUCAKERBSA-N 0 0 192.262 2.226 10 30 AEEERN CCCN[C@](C#N)(CC)C1CC1 83057485 573381720 /nfs/dbraw/zinc/38/17/20/573381720.db2.gz VHKVEKDUPAZEAA-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN N#Cc1cnccc1Nc1cccnc1 259610425 573381746 /nfs/dbraw/zinc/38/17/46/573381746.db2.gz DPDCRBAEQUJZTK-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN C=C[C@H](C)c1ccc(C=O)c(O)c1O 238375888 573381780 /nfs/dbraw/zinc/38/17/80/573381780.db2.gz PCEFFHUVNJGKDH-ZETCQYMHSA-N 0 0 192.214 2.200 10 30 AEEERN CC(C)[C@H](C)Nc1cnccc1C#N 135590982 573381805 /nfs/dbraw/zinc/38/18/05/573381805.db2.gz HOEWCTBIMFULIY-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN CC[C@@H](C=O)Cc1ccco1 107157635 573381812 /nfs/dbraw/zinc/38/18/12/573381812.db2.gz OSVQIEDONKNIBQ-MRVPVSSYSA-N 0 0 152.193 2.047 10 30 AEEERN C=C[C@H](C)[C@H](O)c1cccc(O)c1 238374203 573381904 /nfs/dbraw/zinc/38/19/04/573381904.db2.gz COUUXMRWYXQDNI-KWQFWETISA-N 0 0 178.231 2.248 10 30 AEEERN C=C[C@H](C)c1ccccc1CO 238376066 573381916 /nfs/dbraw/zinc/38/19/16/573381916.db2.gz QCTBRGJTMRJFON-VIFPVBQESA-N 0 0 162.232 2.468 10 30 AEEERN CC[C@H](C=O)CC(F)(F)F 107158017 573381938 /nfs/dbraw/zinc/38/19/38/573381938.db2.gz PAHFNRJPNVOIEW-YFKPBYRVSA-N 0 0 154.131 2.164 10 30 AEEERN C=C=CC(=O)c1ccc(C)cc1 118090721 573381968 /nfs/dbraw/zinc/38/19/68/573381968.db2.gz HVDKHIXQCGMKDJ-UHFFFAOYSA-N 0 0 158.200 2.201 10 30 AEEERN C#CC[C@@H](CC)N[C@@H](C)C(F)(F)F 308377474 573382034 /nfs/dbraw/zinc/38/20/34/573382034.db2.gz SXMLFDHBGFYZLZ-JGVFFNPUSA-N 0 0 193.212 2.329 10 30 AEEERN C/C=C/C=C\CC#N 78409183 573382056 /nfs/dbraw/zinc/38/20/56/573382056.db2.gz KCTNDIPTIYYUSV-IAROGAJJSA-N 0 0 107.156 2.032 10 30 AEEERN CCCC/N=C/c1ccc(O)cc1O 308371416 573382104 /nfs/dbraw/zinc/38/21/04/573382104.db2.gz ROSVUVFDBPWTLY-XYOKQWHBSA-N 0 0 193.246 2.317 10 30 AEEERN C=CCC[S@](=O)CCCC 197334764 573382161 /nfs/dbraw/zinc/38/21/61/573382161.db2.gz AZTGNJMIQFLBGY-JTQLQIEISA-N 0 0 160.282 2.111 10 30 AEEERN CC[C@H](CC=O)c1ccco1 107157642 573382261 /nfs/dbraw/zinc/38/22/61/573382261.db2.gz HPHCIDFXCVVRIA-MRVPVSSYSA-N 0 0 152.193 2.362 10 30 AEEERN COC1=CCC2=C(C=C1)C(=O)CC2 238374280 573382267 /nfs/dbraw/zinc/38/22/67/573382267.db2.gz RJKRVDZOFPRAKH-UHFFFAOYSA-N 0 0 176.215 2.136 10 30 AEEERN CCCC(C)(C)N[C@H](C#N)CC 126153649 573382269 /nfs/dbraw/zinc/38/22/69/573382269.db2.gz MHAVGOJZRHPRIZ-VIFPVBQESA-N 0 0 168.284 2.457 10 30 AEEERN CO[C@@](C)(CC=O)C(C)(C)C 238374952 573382399 /nfs/dbraw/zinc/38/23/99/573382399.db2.gz CCNRYVDPSYZVJL-VIFPVBQESA-N 0 0 158.241 2.027 10 30 AEEERN CC[C@@]1(C2CC2)CC(=O)C=CO1 83059178 573382402 /nfs/dbraw/zinc/38/24/02/573382402.db2.gz MHKUAWXQQPAPHS-JTQLQIEISA-N 0 0 166.220 2.048 10 30 AEEERN C#CC[C@H](CC)N[C@@H](C)C(F)(F)F 308377482 573382422 /nfs/dbraw/zinc/38/24/22/573382422.db2.gz SXMLFDHBGFYZLZ-YUMQZZPRSA-N 0 0 193.212 2.329 10 30 AEEERN C[C@](O)(CCC=O)c1ccc(F)cc1 308567672 573383668 /nfs/dbraw/zinc/38/36/68/573383668.db2.gz ZHJHYGOEMQFZQS-NSHDSACASA-N 0 0 196.221 2.012 10 30 AEEERN Cc1c(C#N)c(O)cc2c1CCCC2 258011284 573382969 /nfs/dbraw/zinc/38/29/69/573382969.db2.gz HIDGXGFZSMBMLL-UHFFFAOYSA-N 0 0 187.242 2.451 10 30 AEEERN CCCN(CC)c1cnccc1C#N 135591497 573383085 /nfs/dbraw/zinc/38/30/85/573383085.db2.gz FAASQXQEXSKCME-UHFFFAOYSA-N 0 0 189.262 2.190 10 30 AEEERN C=C[C@@H](C)NC1=CC(=O)CC(C)(C)C1 238374580 573383157 /nfs/dbraw/zinc/38/31/57/573383157.db2.gz FHSBCZUDPLRBTG-SECBINFHSA-N 0 0 193.290 2.424 10 30 AEEERN C=C[C@H](C)[C@](C)(O)c1ccccc1O 238374922 573383162 /nfs/dbraw/zinc/38/31/62/573383162.db2.gz DBCFGHNZTIRKDH-CABZTGNLSA-N 0 0 192.258 2.422 10 30 AEEERN CC[C@H](C=O)Cc1ccco1 107157633 573383168 /nfs/dbraw/zinc/38/31/68/573383168.db2.gz OSVQIEDONKNIBQ-QMMMGPOBSA-N 0 0 152.193 2.047 10 30 AEEERN C[C@@H](NC1(C#N)CC1)c1ccccc1 238374470 573383219 /nfs/dbraw/zinc/38/32/19/573383219.db2.gz PWLJGTQIHBUHOL-SNVBAGLBSA-N 0 0 186.258 2.393 10 30 AEEERN C=C(CC)C[C@H](O)[C@@H](OC)C1CC1 133204547 573383309 /nfs/dbraw/zinc/38/33/09/573383309.db2.gz RJVJCXDBRJXDQP-QWRGUYRKSA-N 0 0 184.279 2.129 10 30 AEEERN COc1ccc(C)cc1[C@H]1C[C@H]1C=O 238375250 573383318 /nfs/dbraw/zinc/38/33/18/573383318.db2.gz SFHUMADBSPFBKA-UWVGGRQHSA-N 0 0 190.242 2.306 10 30 AEEERN CC(C)[C@@H](C)Nc1cnccc1C#N 135590960 573383338 /nfs/dbraw/zinc/38/33/38/573383338.db2.gz HOEWCTBIMFULIY-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN C=C[C@H](C)[C@@H]1C=CC[C@@H](CO)C1 238374595 573383347 /nfs/dbraw/zinc/38/33/47/573383347.db2.gz CRGJEBMDIXJZGK-HBNTYKKESA-N 0 0 166.264 2.383 10 30 AEEERN C=CCOCCNc1ccc(C)cn1 308567849 573383359 /nfs/dbraw/zinc/38/33/59/573383359.db2.gz ZJCYFZWGSMVIPI-UHFFFAOYSA-N 0 0 192.262 2.005 10 30 AEEERN CCC=C=CC(=O)C(C)C 118088795 573383371 /nfs/dbraw/zinc/38/33/71/573383371.db2.gz DLDFDZROKRYOCN-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN COc1ccc2cc[nH]c2c1C#N 238375202 573383374 /nfs/dbraw/zinc/38/33/74/573383374.db2.gz NLAYQXYGPOIHBO-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN CC[C@](Cl)(C#N)C1CC1 83058992 573383383 /nfs/dbraw/zinc/38/33/83/573383383.db2.gz UFCBTMSMNWLXJK-ZETCQYMHSA-N 0 0 143.617 2.308 10 30 AEEERN C=C[C@H](C)[C@](C)(O)c1ccccc1N 238374905 573383478 /nfs/dbraw/zinc/38/34/78/573383478.db2.gz WWIQEZZSONORBC-CABZTGNLSA-N 0 0 191.274 2.298 10 30 AEEERN Cc1occc1CN[C@H](C)[C@@H](C)C#N 308566597 573383519 /nfs/dbraw/zinc/38/35/19/573383519.db2.gz ATYAZPFZMPLARS-DTWKUNHWSA-N 0 0 192.262 2.226 10 30 AEEERN CC[C@@H](C=O)CC(F)(F)F 107158020 573383637 /nfs/dbraw/zinc/38/36/37/573383637.db2.gz PAHFNRJPNVOIEW-RXMQYKEDSA-N 0 0 154.131 2.164 10 30 AEEERN O=CC[C@H](C1CC1)C(F)(F)F 107160991 573390634 /nfs/dbraw/zinc/39/06/34/573390634.db2.gz YRQNKOZFEMWNBD-ZCFIWIBFSA-N 0 0 166.142 2.164 10 30 AEEERN CC[C@@H](C=O)c1cccc(O)c1 107160217 573390656 /nfs/dbraw/zinc/39/06/56/573390656.db2.gz SQWOKCQUERDJCZ-QMMMGPOBSA-N 0 0 164.204 2.085 10 30 AEEERN C[C@@H](C=O)[C@@H]1C=CC1(C)C 238378839 573390671 /nfs/dbraw/zinc/39/06/71/573390671.db2.gz UHEXBNTZUNDMMF-YUMQZZPRSA-N 0 0 138.210 2.034 10 30 AEEERN COc1nc(CC#N)ccc1C(F)F 238378899 573390737 /nfs/dbraw/zinc/39/07/37/573390737.db2.gz KJLMYQFGVVGGFP-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C#CCCCOc1ccnc(C)c1 308379476 573390078 /nfs/dbraw/zinc/39/00/78/573390078.db2.gz PPHMDYBCBGQOJX-UHFFFAOYSA-N 0 0 175.231 2.182 10 30 AEEERN CN(C)c1cccc(F)c1CCC=O 258011573 573390180 /nfs/dbraw/zinc/39/01/80/573390180.db2.gz HNCISUSYWKBPKS-UHFFFAOYSA-N 0 0 195.237 2.023 10 30 AEEERN CC[C@H](C=O)c1cccc(O)c1 107160219 573390250 /nfs/dbraw/zinc/39/02/50/573390250.db2.gz SQWOKCQUERDJCZ-MRVPVSSYSA-N 0 0 164.204 2.085 10 30 AEEERN C=CCN(CC)C(=O)/C=C/CCC 308379645 573390267 /nfs/dbraw/zinc/39/02/67/573390267.db2.gz UHTUFUYKSROSKI-CMDGGOBGSA-N 0 0 181.279 2.377 10 30 AEEERN O=C[C@H]1CSc2cccc(F)c21 258012465 573390435 /nfs/dbraw/zinc/39/04/35/573390435.db2.gz JDDDSZIOEJDTJM-LURJTMIESA-N 0 0 182.219 2.214 10 30 AEEERN CC[C@@H](C=O)c1ccc(O)cc1 107160222 573390528 /nfs/dbraw/zinc/39/05/28/573390528.db2.gz GLMUTISODHZNKJ-QMMMGPOBSA-N 0 0 164.204 2.085 10 30 AEEERN CC/C=C/C(=O)OCC(C)(C)C#N 308379617 573390597 /nfs/dbraw/zinc/39/05/97/573390597.db2.gz UGQOUPUVYVJWOB-AATRIKPKSA-N 0 0 181.235 2.046 10 30 AEEERN CCc1nc(Cl)c(C#N)c(CC)n1 306158040 573392271 /nfs/dbraw/zinc/39/22/71/573392271.db2.gz MWEIIYUXUXFKHH-UHFFFAOYSA-N 0 0 195.653 2.126 10 30 AEEERN O=C[C@@H](c1ccccc1O)C1CC1 107164953 573392918 /nfs/dbraw/zinc/39/29/18/573392918.db2.gz FRNAVOVGFUIVCE-SNVBAGLBSA-N 0 0 176.215 2.085 10 30 AEEERN C[C@@H](C=O)[C@H]1C=Cc2ccccc2O1 238379666 573392922 /nfs/dbraw/zinc/39/29/22/573392922.db2.gz CCJFSAWODWKBEI-GXSJLCMTSA-N 0 0 188.226 2.296 10 30 AEEERN CC1=C(/C=C/[C@@H](C)O)C(C)(C)CC1=O 238379265 573392413 /nfs/dbraw/zinc/39/24/13/573392413.db2.gz WYUKRBINJOITEO-HQZHTGGTSA-N 0 0 194.274 2.239 10 30 AEEERN C=CC/N=C\c1ccc2c(c1)OCO2 308379294 573392470 /nfs/dbraw/zinc/39/24/70/573392470.db2.gz LUIMGXNNPUNUKD-GHXNOFRVSA-N 0 0 189.214 2.020 10 30 AEEERN COc1c(C)cccc1[C@H](C)C=O 107166461 573392484 /nfs/dbraw/zinc/39/24/84/573392484.db2.gz VXULKPXSITWBSO-SECBINFHSA-N 0 0 178.231 2.306 10 30 AEEERN CSCc1sccc1C#N 238379350 573392515 /nfs/dbraw/zinc/39/25/15/573392515.db2.gz RLFPGYINRUWGNO-UHFFFAOYSA-N 0 0 169.274 2.483 10 30 AEEERN COc1ccc(O)c([C@H](C)C#N)c1 238379565 573392526 /nfs/dbraw/zinc/39/25/26/573392526.db2.gz XVKXYZQCRLKPDX-SSDOTTSWSA-N 0 0 177.203 2.028 10 30 AEEERN CC(C)[C@H](C=O)c1ccccc1O 107166443 573392654 /nfs/dbraw/zinc/39/26/54/573392654.db2.gz AMMCEOGLMSHDSD-JTQLQIEISA-N 0 0 178.231 2.331 10 30 AEEERN CC(C)[C@H](CC=O)C(F)(F)F 107161975 573392739 /nfs/dbraw/zinc/39/27/39/573392739.db2.gz ZGDDFNAEBHHZEY-LURJTMIESA-N 0 0 168.158 2.410 10 30 AEEERN C=CCC1=C[C@H]2C(=O)C[C@@H]2C1 224096608 573392905 /nfs/dbraw/zinc/39/29/05/573392905.db2.gz YJPQQOKDTNRLHZ-DTWKUNHWSA-N 0 0 148.205 2.098 10 30 AEEERN COC1=C(C2=CCCCC2)CC1=O 238386645 573397847 /nfs/dbraw/zinc/39/78/47/573397847.db2.gz VKTYOVYNPPPXSZ-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN COc1c(F)cccc1[C@@H](C)C=O 107170395 573397882 /nfs/dbraw/zinc/39/78/82/573397882.db2.gz OVZWPMDBXDTFDF-ZETCQYMHSA-N 0 0 182.194 2.137 10 30 AEEERN Cc1c(C)n(CC=O)c2ccccc12 107173379 573397925 /nfs/dbraw/zinc/39/79/25/573397925.db2.gz BHGCDGWNWYYSIT-UHFFFAOYSA-N 0 0 187.242 2.457 10 30 AEEERN Cc1ccc2c(c1)[C@@H]1N[C@H](C#N)C[C@H]1C2 259436691 573397262 /nfs/dbraw/zinc/39/72/62/573397262.db2.gz AKUBNDAUCUAXFZ-NTZNESFSSA-N 0 0 198.269 2.094 10 30 AEEERN CO[C@@H](C=O)c1ccc(Cl)cc1 107172454 573397282 /nfs/dbraw/zinc/39/72/82/573397282.db2.gz NAUCVNUAGWUVAF-VIFPVBQESA-N 0 0 184.622 2.226 10 30 AEEERN CO[C@H](C=O)c1ccc(Cl)s1 107176082 573397440 /nfs/dbraw/zinc/39/74/40/573397440.db2.gz FSXJTOJQASZFBD-RXMQYKEDSA-N 0 0 190.651 2.288 10 30 AEEERN C=C(C)[C@@H](SC)[C@H](O)/C=C/C 238386720 573397460 /nfs/dbraw/zinc/39/74/60/573397460.db2.gz WGIYJRMFXRXWLU-JKKBLNIGSA-N 0 0 172.293 2.231 10 30 AEEERN CO[C@@H](C=O)c1ccc(Cl)s1 107176078 573397464 /nfs/dbraw/zinc/39/74/64/573397464.db2.gz FSXJTOJQASZFBD-YFKPBYRVSA-N 0 0 190.651 2.288 10 30 AEEERN C=CCCC[C@@H](O)[C@H](OC)C1CC1 133303362 573397514 /nfs/dbraw/zinc/39/75/14/573397514.db2.gz SZCSKMQJGFSRJR-GHMZBOCLSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1cc2c(F)cccc2n1CC=O 107176335 573397607 /nfs/dbraw/zinc/39/76/07/573397607.db2.gz RFYUQNCELJRCPF-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN Cc1cc(-c2c(C)noc2C#N)c[nH]1 259437084 573397649 /nfs/dbraw/zinc/39/76/49/573397649.db2.gz JSWAGJCTGDUNHL-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN Cc1ccc(/C=N/[C@H](CO)C(C)C)o1 308577239 573409574 /nfs/dbraw/zinc/40/95/74/573409574.db2.gz IAWZSHVQVQMJRR-GGQLTLKSSA-N 0 0 195.262 2.024 10 30 AEEERN C[C@@H](F)[C@H](C#N)NCc1ccccc1 238381637 573409626 /nfs/dbraw/zinc/40/96/26/573409626.db2.gz CCEXZPBQHYLXNW-KOLCDFICSA-N 0 0 192.237 2.026 10 30 AEEERN C=CC[C@]1(C#N)CCC[C@H]1OC(C)=O 39090499 573409004 /nfs/dbraw/zinc/40/90/04/573409004.db2.gz PBNCCQYTJPUBFA-GHMZBOCLSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@]12C/C(=N\CCO)[C@@H](C)[C@H]1C2 308577634 573409097 /nfs/dbraw/zinc/40/90/97/573409097.db2.gz IGGMUWPVVHIVOR-HEPGVISRSA-N 0 0 195.306 2.122 10 30 AEEERN Cc1cnn(-c2ccc(C#N)c(C)c2)c1 133482003 573409148 /nfs/dbraw/zinc/40/91/48/573409148.db2.gz YVZKTSDFSYPOGH-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CN(C)c1cc(CC#N)ccc1Cl 259441371 573409237 /nfs/dbraw/zinc/40/92/37/573409237.db2.gz OUZORWAKBACPCU-UHFFFAOYSA-N 0 0 194.665 2.472 10 30 AEEERN Cc1ccc(/C=N\[C@H](CO)C(C)C)o1 308577240 573409394 /nfs/dbraw/zinc/40/93/94/573409394.db2.gz IAWZSHVQVQMJRR-MDUDVEDUSA-N 0 0 195.262 2.024 10 30 AEEERN C=C(CO)[C@@H]1CCCC[C@H]1CC(C)=O 308578042 573410837 /nfs/dbraw/zinc/41/08/37/573410837.db2.gz IKJOEQPXLIXVEX-RYUDHWBXSA-N 0 0 196.290 2.320 10 30 AEEERN CC(=Nn1cccc1)c1ccc(N)cc1 308863762 573410212 /nfs/dbraw/zinc/41/02/12/573410212.db2.gz WEJMJLDUXZLLHQ-UHFFFAOYSA-N 0 0 199.257 2.343 10 30 AEEERN C=CC(=C)[C@H](O)c1ccccc1OC 308577292 573410275 /nfs/dbraw/zinc/41/02/75/573410275.db2.gz IEFPYDPOHWXMHG-LBPRGKRZSA-N 0 0 190.242 2.471 10 30 AEEERN Cc1ccc(/C=N/[C@@H](CO)C(C)C)o1 308577238 573410324 /nfs/dbraw/zinc/41/03/24/573410324.db2.gz IAWZSHVQVQMJRR-DREKTBMASA-N 0 0 195.262 2.024 10 30 AEEERN COc1cc(C)c([C@H]2CO2)c(OC)c1 259098827 573410345 /nfs/dbraw/zinc/41/03/45/573410345.db2.gz CFGNNQLJRJVYGR-SNVBAGLBSA-N 0 0 194.230 2.084 10 30 AEEERN C=CC[Si](C)(C)/C=C/[C@@H](C)O 238381063 573410389 /nfs/dbraw/zinc/41/03/89/573410389.db2.gz FHKOETAITCKCRK-BNICOGTQSA-N 0 0 170.328 2.357 10 30 AEEERN Cc1cc(CC(C)C)nc(CS)n1 259097279 573410440 /nfs/dbraw/zinc/41/04/40/573410440.db2.gz NLJOSWVKRKLBNT-UHFFFAOYSA-N 0 0 196.319 2.413 10 30 AEEERN C[C@@H](C=O)[C@H]1OCCc2ccccc21 238381487 573410538 /nfs/dbraw/zinc/41/05/38/573410538.db2.gz VRXZOCXPIQHDKX-JOYOIKCWSA-N 0 0 190.242 2.135 10 30 AEEERN C#CCC[C@H](O)[C@H](OCC)C(C)(C)C 133495330 573410571 /nfs/dbraw/zinc/41/05/71/573410571.db2.gz SISHUNNGYBBAPJ-QWRGUYRKSA-N 0 0 198.306 2.212 10 30 AEEERN CC(C)c1ccc([C@H](N)C=O)cc1 259098546 573410609 /nfs/dbraw/zinc/41/06/09/573410609.db2.gz AUMRMCDFVPOHEJ-LLVKDONJSA-N 0 0 177.247 2.009 10 30 AEEERN C#CC[C@H](C)OC(=O)/C(C)=C/CC 308386371 573410623 /nfs/dbraw/zinc/41/06/23/573410623.db2.gz XEJUTQXPWSWYOC-PCYYEKQGSA-N 0 0 180.247 2.298 10 30 AEEERN C=CC[C@H](C)c1nccn1C 715795993 573410711 /nfs/dbraw/zinc/41/07/11/573410711.db2.gz LQQFRXLYZWBTCN-QMMMGPOBSA-N 0 0 150.225 2.100 10 30 AEEERN C=C(CO)Cc1cccc(Cl)c1 258336696 573418054 /nfs/dbraw/zinc/41/80/54/573418054.db2.gz XLEXCQXORKUBMD-UHFFFAOYSA-N 0 0 182.650 2.431 10 30 AEEERN C=C(CC)C[NH2+]CCC[C@@H](C)C(=O)[O-] 308580251 573418073 /nfs/dbraw/zinc/41/80/73/573418073.db2.gz OSJRADQCHZSQPQ-SNVBAGLBSA-N 0 0 199.294 2.043 10 30 AEEERN C[C@H]1SCC[C@H]1CC#N 107218144 573417503 /nfs/dbraw/zinc/41/75/03/573417503.db2.gz RAHKFEVJLPUYAQ-RNFRBKRXSA-N 0 0 141.239 2.042 10 30 AEEERN CO[C@]12C=CC(=O)C(C)=C1CCC2 238384723 573417551 /nfs/dbraw/zinc/41/75/51/573417551.db2.gz KZSDPGKNAFAKHG-LLVKDONJSA-N 0 0 178.231 2.011 10 30 AEEERN C=CC[C@@H](C)[C@](C)(C#N)C(C)=O 715799451 573417554 /nfs/dbraw/zinc/41/75/54/573417554.db2.gz NFUNAVREYAWUNM-SCZZXKLOSA-N 0 0 165.236 2.317 10 30 AEEERN C[C@@H](C#N)[C@@H](F)C(F)(F)F 258646724 573417561 /nfs/dbraw/zinc/41/75/61/573417561.db2.gz ZDAXCPVOHCTAIA-IUYQGCFVSA-N 0 0 155.094 2.046 10 30 AEEERN C[C@H](C#N)[C@@H](F)C(F)(F)F 258646726 573417623 /nfs/dbraw/zinc/41/76/23/573417623.db2.gz ZDAXCPVOHCTAIA-QWWZWVQMSA-N 0 0 155.094 2.046 10 30 AEEERN COc1ccnc(CC#N)c1C(F)F 238383787 573417670 /nfs/dbraw/zinc/41/76/70/573417670.db2.gz ANSBQCQSTBVNPB-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C=CC[C@H](C)[C@@](C)(C#N)C(C)=O 715799454 573417782 /nfs/dbraw/zinc/41/77/82/573417782.db2.gz NFUNAVREYAWUNM-WCBMZHEXSA-N 0 0 165.236 2.317 10 30 AEEERN O=CC/C=C\c1cccs1 258335436 573417790 /nfs/dbraw/zinc/41/77/90/573417790.db2.gz XJPXRCZMBBDYHF-RJRFIUFISA-N 0 0 152.218 2.350 10 30 AEEERN CO[C@@]12C=C[C@@](C)(C[C@@H]1C)C[C@@H]2C=O 238384023 573417856 /nfs/dbraw/zinc/41/78/56/573417856.db2.gz KAKGREFEPJDQRY-USZNOCQGSA-N 0 0 194.274 2.193 10 30 AEEERN C=C(CC=O)c1ccc(F)cc1 258336905 573417881 /nfs/dbraw/zinc/41/78/81/573417881.db2.gz XNHLYOXDPJZNJZ-UHFFFAOYSA-N 0 0 164.179 2.428 10 30 AEEERN C[C@@H]1SCC[C@H]1CC#N 107218148 573417890 /nfs/dbraw/zinc/41/78/90/573417890.db2.gz RAHKFEVJLPUYAQ-NKWVEPMBSA-N 0 0 141.239 2.042 10 30 AEEERN C[C@H]1Cc2ccc(CCC=O)cc2O1 258019094 573417907 /nfs/dbraw/zinc/41/79/07/573417907.db2.gz HZPOLRHAHMEVSB-VIFPVBQESA-N 0 0 190.242 2.142 10 30 AEEERN CC(C)[C@@H](C#N)Cc1ccc[nH]1 259444183 573417962 /nfs/dbraw/zinc/41/79/62/573417962.db2.gz QCHNBDNTUXZDNR-SECBINFHSA-N 0 0 162.236 2.353 10 30 AEEERN CC(C)(C)Cc1ncc(CC=O)o1 258023829 573422044 /nfs/dbraw/zinc/42/20/44/573422044.db2.gz JQAQHDHVFQNVOM-UHFFFAOYSA-N 0 0 181.235 2.005 10 30 AEEERN CCc1cnn(-c2cccc(C#N)c2)c1 214886311 573422100 /nfs/dbraw/zinc/42/21/00/573422100.db2.gz IFCPTAQNIHXKLT-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CCc1cnn(-c2ccccc2C#N)c1 214886034 573421482 /nfs/dbraw/zinc/42/14/82/573421482.db2.gz TZCWFCSGNNKUFT-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN C=C(C)C(=O)NCC1CCCCC1 34173637 573421499 /nfs/dbraw/zinc/42/14/99/573421499.db2.gz SVXGELZLVXFTKA-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C#CCC[C@@H](NN)C1(CC)CCCC1 133714514 573421552 /nfs/dbraw/zinc/42/15/52/573421552.db2.gz LEBAHWIOMHPIOL-LLVKDONJSA-N 0 0 194.322 2.202 10 30 AEEERN COc1c(F)cc(C#N)c(C)c1OC 258019216 573421569 /nfs/dbraw/zinc/42/15/69/573421569.db2.gz ICYSWTKUBPMOHH-UHFFFAOYSA-N 0 0 195.193 2.023 10 30 AEEERN CCc1ccnn1-c1cccc(C#N)c1 214886379 573421731 /nfs/dbraw/zinc/42/17/31/573421731.db2.gz VNGZAZDTSCGRRD-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CC[C@H](C#N)NCCC(C)(C)C 130018930 573422185 /nfs/dbraw/zinc/42/21/85/573422185.db2.gz YZJQAMVWWURXLY-SECBINFHSA-N 0 0 168.284 2.314 10 30 AEEERN N#CCc1ccc2nc3n(c2c1)CCC3 214886513 573421780 /nfs/dbraw/zinc/42/17/80/573421780.db2.gz DDQQNCBEMVBVDV-UHFFFAOYSA-N 0 0 197.241 2.049 10 30 AEEERN Cc1cc(F)cc(CCC=O)c1 83141740 573421842 /nfs/dbraw/zinc/42/18/42/573421842.db2.gz PPPZXGJRMLWMEX-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN C=CC[C@H](C)[C@]1(C#N)CCCCN1 715802559 573421949 /nfs/dbraw/zinc/42/19/49/573421949.db2.gz YPBKSCODZDQNMN-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN C=C[C@@H](C)CC(C)(C)CO 238393410 573427058 /nfs/dbraw/zinc/42/70/58/573427058.db2.gz LSTFRDKRCIQNKC-MRVPVSSYSA-N 0 0 142.242 2.217 10 30 AEEERN C=C(C)[C@H](CCC(N)=O)C(C)C 238209966 573426321 /nfs/dbraw/zinc/42/63/21/573426321.db2.gz QEHHZHMNMIXYAU-VIFPVBQESA-N 0 0 169.268 2.100 10 30 AEEERN CCc1nc2c(o1)[C@@H](C#N)CCC2 259611341 573426412 /nfs/dbraw/zinc/42/64/12/573426412.db2.gz HGLKRFDSDBHGFU-SSDOTTSWSA-N 0 0 176.219 2.180 10 30 AEEERN C[C@@H]1C(=O)C[C@H](CC#N)C1(C)C 238390950 573426501 /nfs/dbraw/zinc/42/65/01/573426501.db2.gz AWEMCWLDQTVADF-SFYZADRCSA-N 0 0 165.236 2.151 10 30 AEEERN C#CCC[C@@H](CCCCCC)NN 133756894 573426641 /nfs/dbraw/zinc/42/66/41/573426641.db2.gz SBQNIWQVDNYICD-NSHDSACASA-N 0 0 182.311 2.202 10 30 AEEERN Cc1nccn1-c1ccc(CC#N)cc1 214887370 573426776 /nfs/dbraw/zinc/42/67/76/573426776.db2.gz AHVUOCYPMUSTQM-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C=C1c2ccc(OC)cc2CC[C@H]1O 238393568 573426830 /nfs/dbraw/zinc/42/68/30/573426830.db2.gz OODOCXKUJQNLSZ-GFCCVEGCSA-N 0 0 190.242 2.016 10 30 AEEERN CC(C)CCN(C)C(C)(C)C#N 258650135 573430544 /nfs/dbraw/zinc/43/05/44/573430544.db2.gz ACNQYFOVGOYBQZ-UHFFFAOYSA-N 0 0 168.284 2.266 10 30 AEEERN Cc1c(C#N)ccc2c1OCCCO2 258027501 573429811 /nfs/dbraw/zinc/42/98/11/573429811.db2.gz IPXYSXAWCOMECE-UHFFFAOYSA-N 0 0 189.214 2.028 10 30 AEEERN COc1ccc(C#N)c(F)c1Cl 258030155 573430094 /nfs/dbraw/zinc/43/00/94/573430094.db2.gz IVMGSMBIIGURIB-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN Oc1ccc(CS)cc1Cl 258028953 573430225 /nfs/dbraw/zinc/43/02/25/573430225.db2.gz CMLQGPNBBWJQLI-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN O=C[C@@H]1Cc2cc(F)ccc2S1 258029203 573430270 /nfs/dbraw/zinc/43/02/70/573430270.db2.gz JYYZKNFDMUMSRQ-QMMMGPOBSA-N 0 0 182.219 2.041 10 30 AEEERN COc1cc(CC#N)ncc1C(F)F 238393063 573430347 /nfs/dbraw/zinc/43/03/47/573430347.db2.gz JRKYUHCPVRJVMN-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C[C@@H](CC=O)c1cccc2c1CCO2 258027769 573430373 /nfs/dbraw/zinc/43/03/73/573430373.db2.gz IUECCJPCOXSPML-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN C=CC[C@@H](C)Cc1ncnn1CCC 715805211 573430521 /nfs/dbraw/zinc/43/05/21/573430521.db2.gz ADSZBVQRFOKXJJ-SNVBAGLBSA-N 0 0 193.294 2.443 10 30 AEEERN CO[C@@H]1CCC(=O)C(=C(C)C)C1 238396526 573442160 /nfs/dbraw/zinc/44/21/60/573442160.db2.gz NVJAYOSTBIHTLD-MRVPVSSYSA-N 0 0 168.236 2.091 10 30 AEEERN N#CCCCCONC1CCCC1 308390645 573442201 /nfs/dbraw/zinc/44/22/01/573442201.db2.gz YBDFBONMYHZYQJ-UHFFFAOYSA-N 0 0 182.267 2.144 10 30 AEEERN CCCCCC(=O)O[C@@H](C)CC#N 308390525 573441650 /nfs/dbraw/zinc/44/16/50/573441650.db2.gz ZFHNOCLYWRTNDV-VIFPVBQESA-N 0 0 183.251 2.412 10 30 AEEERN C=C[C@@H](C=C(C)C)[C@@H](C)CO 142636487 573441741 /nfs/dbraw/zinc/44/17/41/573441741.db2.gz AMJUGHWPRVIHOB-UWVGGRQHSA-N 0 0 154.253 2.383 10 30 AEEERN CC(=O)C1=CC(C)=C[C@H]1C 238397853 573441821 /nfs/dbraw/zinc/44/18/21/573441821.db2.gz CKYSCAAVORICRL-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN C=CCNc1cccnc1OC(C)C 50522082 573441830 /nfs/dbraw/zinc/44/18/30/573441830.db2.gz YQJDQUCRKZMGLW-UHFFFAOYSA-N 0 0 192.262 2.467 10 30 AEEERN C#C[C@@H](C)C(=O)[C@H](C)C(C)C 34413872 573442062 /nfs/dbraw/zinc/44/20/62/573442062.db2.gz LVSDTRWTCCVLLT-RKDXNWHRSA-N 0 0 152.237 2.117 10 30 AEEERN C=CCc1cnc(Cl)c(OC)c1 238396568 573442075 /nfs/dbraw/zinc/44/20/75/573442075.db2.gz FBLZPPGKLSNYPZ-UHFFFAOYSA-N 0 0 183.638 2.472 10 30 AEEERN C=CC[C@H](O)/C(C)=C\c1ccccn1 308586096 573442112 /nfs/dbraw/zinc/44/21/12/573442112.db2.gz MIUKPWFJBWUKQH-PRDAAYKISA-N 0 0 189.258 2.422 10 30 AEEERN C=CC[C@H]1C[C@H](CC#N)CC1=O 144259355 573442117 /nfs/dbraw/zinc/44/21/17/573442117.db2.gz QCZGPYJKBAUPOZ-IUCAKERBSA-N 0 0 163.220 2.071 10 30 AEEERN C=CCc1ccc(F)c(CO)c1 142673363 573444873 /nfs/dbraw/zinc/44/48/73/573444873.db2.gz BNQMVNNLUVMXNM-UHFFFAOYSA-N 0 0 166.195 2.047 10 30 AEEERN C=CCc1c(OC)ccc2c1NCC2 238399051 573445516 /nfs/dbraw/zinc/44/55/16/573445516.db2.gz YPXFWKCCCSDXTF-UHFFFAOYSA-N 0 0 189.258 2.392 10 30 AEEERN CC(C)C[C@@H](C#N)c1ccncn1 258658187 573453957 /nfs/dbraw/zinc/45/39/57/573453957.db2.gz UHECCRKXKXRMIV-VIFPVBQESA-N 0 0 175.235 2.130 10 30 AEEERN C=C(C)[C@@H]1[C@H](C)CC(=O)[C@@H]1C 238416039 573454038 /nfs/dbraw/zinc/45/40/38/573454038.db2.gz FCKAHOXJBQZECJ-KHQFGBGNSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@@H](C#N)C(C)(F)F 257817592 573453379 /nfs/dbraw/zinc/45/33/79/573453379.db2.gz CIYWROQQPSVEGC-YFKPBYRVSA-N 0 0 133.141 2.191 10 30 AEEERN C=C[C@H](C=C(C)C)[C@H](C)CO 142637082 573453417 /nfs/dbraw/zinc/45/34/17/573453417.db2.gz AMJUGHWPRVIHOB-NXEZZACHSA-N 0 0 154.253 2.383 10 30 AEEERN C=C[C@H](O)[C@H]1O[C@@]1(C)CCC=C(C)C 308590336 573453464 /nfs/dbraw/zinc/45/34/64/573453464.db2.gz OHWDSSKFXFHCMV-TUAOUCFPSA-N 0 0 196.290 2.437 10 30 AEEERN N#Cc1cc2sccc2o1 259455533 573453534 /nfs/dbraw/zinc/45/35/34/573453534.db2.gz LHUWRLUPNPCFSD-UHFFFAOYSA-N 0 0 149.174 2.366 10 30 AEEERN C=CCCCC(=O)[C@H](CC)OC 131697917 573453572 /nfs/dbraw/zinc/45/35/72/573453572.db2.gz VHIDIDUKGLZCNE-JTQLQIEISA-N 0 0 170.252 2.337 10 30 AEEERN CO[C@H](C=O)CCc1ccc(C)cc1 257817216 573453631 /nfs/dbraw/zinc/45/36/31/573453631.db2.gz DRNDMLFQZWMVKU-LBPRGKRZSA-N 0 0 192.258 2.142 10 30 AEEERN CN(C)[C@H](S)c1ccccc1 259456576 573453870 /nfs/dbraw/zinc/45/38/70/573453870.db2.gz JLXWZOZTUDSQKU-SECBINFHSA-N 0 0 167.277 2.177 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1F 107257241 573453885 /nfs/dbraw/zinc/45/38/85/573453885.db2.gz MLSSYRQKQOLXLN-NKWVEPMBSA-N 0 0 127.162 2.038 10 30 AEEERN CSc1cc(C#N)cc([N+](=O)[O-])c1 238403348 573458269 /nfs/dbraw/zinc/45/82/69/573458269.db2.gz OLQNRFBMGHFJFZ-UHFFFAOYSA-N 0 0 194.215 2.188 10 30 AEEERN C=C(C)[C@H](O)[C@@H](C)Nc1ccccc1 238402807 573458394 /nfs/dbraw/zinc/45/83/94/573458394.db2.gz RHLYZUDLPIWPAS-PWSUYJOCSA-N 0 0 191.274 2.424 10 30 AEEERN CC1=C(C2CC2)C(=O)CC1 142630851 573458435 /nfs/dbraw/zinc/45/84/35/573458435.db2.gz RHRDAWDCJIQKES-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN C=C(C)[C@@H](O)[C@@H](C)Nc1ccccc1 238402932 573458478 /nfs/dbraw/zinc/45/84/78/573458478.db2.gz RHLYZUDLPIWPAS-ZYHUDNBSSA-N 0 0 191.274 2.424 10 30 AEEERN COc1ncc(C(F)F)c(C#N)c1C 238401962 573458648 /nfs/dbraw/zinc/45/86/48/573458648.db2.gz QYSBZAUHQSKKKG-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CC[C@@]1(c2ccccc2O)C[C@@H]1C=O 257814192 573458685 /nfs/dbraw/zinc/45/86/85/573458685.db2.gz CKDONCQHXVANPY-BXKDBHETSA-N 0 0 190.242 2.259 10 30 AEEERN CC(C)=C=CC(=O)CC(C)C 142631084 573458722 /nfs/dbraw/zinc/45/87/22/573458722.db2.gz NRAGAXBVWMYYNQ-UHFFFAOYSA-N 0 0 152.237 2.261 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc(F)c(F)c1 259452511 573458740 /nfs/dbraw/zinc/45/87/40/573458740.db2.gz WENJLXPQJZFCPX-CDUCUWFYSA-N 0 0 170.158 2.425 10 30 AEEERN O=CCc1cc2ccc(F)cc2o1 258354581 573458761 /nfs/dbraw/zinc/45/87/61/573458761.db2.gz YRYXMQVCKFTHDS-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN CC[C@@H](C#N)Cc1ccc[nH]1 259458462 573458799 /nfs/dbraw/zinc/45/87/99/573458799.db2.gz QUCHTQODQQKSFR-MRVPVSSYSA-N 0 0 148.209 2.107 10 30 AEEERN Cc1ccc(-c2cc(C#N)no2)o1 259459188 573459639 /nfs/dbraw/zinc/45/96/39/573459639.db2.gz WSFCGFSSFQWEAY-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN C=CCC1(C)C=CC(=O)C=C1 142665593 573459784 /nfs/dbraw/zinc/45/97/84/573459784.db2.gz APRAIEDZAOICCD-UHFFFAOYSA-N 0 0 148.205 2.264 10 30 AEEERN CSc1cc(C#N)cc(C#N)c1 238403308 573459834 /nfs/dbraw/zinc/45/98/34/573459834.db2.gz VGTVPZRQQLMWAZ-UHFFFAOYSA-N 0 0 174.228 2.152 10 30 AEEERN SCc1cnc2c(Cl)cccn12 258659011 573459882 /nfs/dbraw/zinc/45/98/82/573459882.db2.gz XFOHCMGGYLMHJS-UHFFFAOYSA-N 0 0 198.678 2.418 10 30 AEEERN C=C[C@H](C=C(C)C)[C@@H](C)CO 142636882 573459943 /nfs/dbraw/zinc/45/99/43/573459943.db2.gz AMJUGHWPRVIHOB-VHSXEESVSA-N 0 0 154.253 2.383 10 30 AEEERN C=CC[C@H](O)/C=C/[C@H](C)[C@H](O)C(C)C 308591793 573460041 /nfs/dbraw/zinc/46/00/41/573460041.db2.gz PHTNEJKAPILAAB-SXPPVUMYSA-N 0 0 198.306 2.133 10 30 AEEERN C=CCc1c(O)cc(C)cc1OC 142675644 573460046 /nfs/dbraw/zinc/46/00/46/573460046.db2.gz CHSKUHCPZBUOHP-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 AEEERN C[C@H](C=O)Cc1ccc(C#N)c(F)c1 238403831 573460155 /nfs/dbraw/zinc/46/01/55/573460155.db2.gz RNYGAVRXNVKMCI-QMMMGPOBSA-N 0 0 191.205 2.075 10 30 AEEERN CN(C(=O)CCC#N)c1cccs1 258658951 573460162 /nfs/dbraw/zinc/46/01/62/573460162.db2.gz IBHCWBOOVTYMAV-UHFFFAOYSA-N 0 0 194.259 2.015 10 30 AEEERN COc1ncc(C(F)F)c(C)c1C#N 238402519 573460176 /nfs/dbraw/zinc/46/01/76/573460176.db2.gz LUZXRRUMEJOYBL-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CSc1cc(C#N)ccc1[N+](=O)[O-] 238403457 573460332 /nfs/dbraw/zinc/46/03/32/573460332.db2.gz XINCRNQDMZUISS-UHFFFAOYSA-N 0 0 194.215 2.188 10 30 AEEERN C=CC[C@]1(C=O)C[C@@H]2C=C[C@H]1C2 142589329 573460390 /nfs/dbraw/zinc/46/03/90/573460390.db2.gz UKSJIDSKNSPUIT-OUAUKWLOSA-N 0 0 162.232 2.344 10 30 AEEERN N#Cc1cc(-c2ccccc2O)ccn1 258033342 573460763 /nfs/dbraw/zinc/46/07/63/573460763.db2.gz ITEGVOKWNWNSQL-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=CC[C@H](O)/C=C\[C@H](C)[C@@H](O)C(C)C 308591791 573460837 /nfs/dbraw/zinc/46/08/37/573460837.db2.gz PHTNEJKAPILAAB-FEWKFGIOSA-N 0 0 198.306 2.133 10 30 AEEERN C=CC[C@@H]1C=CC[C@@H](C[C@H](C)CO)O1 308592162 573461143 /nfs/dbraw/zinc/46/11/43/573461143.db2.gz PLGRFZHKTVOIHM-TUAOUCFPSA-N 0 0 196.290 2.295 10 30 AEEERN COc1cc(F)c(CCC=O)cc1C 258033263 573461392 /nfs/dbraw/zinc/46/13/92/573461392.db2.gz JCUUGYYCZRLRSD-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN C=C(/C=C(\C)[C@H](O)CC)C[C@H](C)CO 308591806 573461414 /nfs/dbraw/zinc/46/14/14/573461414.db2.gz PIFZQPXYDHOAFT-SGVWJNLRSA-N 0 0 198.306 2.278 10 30 AEEERN C[NH2+][C@H](CCC#N)c1ccc(F)cc1 259457846 573461431 /nfs/dbraw/zinc/46/14/31/573461431.db2.gz PKLPANNJYIEUMZ-LLVKDONJSA-N 0 0 192.237 2.390 10 30 AEEERN C=C(COCCC)[C@H](O)CCC 387557280 573461467 /nfs/dbraw/zinc/46/14/67/573461467.db2.gz WKGMHBHQEBAUCK-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN C/C(=N/O)c1ccc(C)c(F)c1 86493043 573461473 /nfs/dbraw/zinc/46/14/73/573461473.db2.gz NHCGVFFSDYPROF-XFFZJAGNSA-N 0 0 167.183 2.332 10 30 AEEERN C[C@@H]1CC(=O)C[C@@H](C#N)C1(C)C 238409245 573467694 /nfs/dbraw/zinc/46/76/94/573467694.db2.gz CXQSMJOOXJDCAZ-SFYZADRCSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)(C)[C@@H](F)CC#N 107274219 573467829 /nfs/dbraw/zinc/46/78/29/573467829.db2.gz ZMUSTIFIGCPQPN-LURJTMIESA-N 0 0 129.178 2.284 10 30 AEEERN COc1cccc([C@@H]2CO2)c1C 238405752 573467847 /nfs/dbraw/zinc/46/78/47/573467847.db2.gz ZIRRMDXORKNXOC-JTQLQIEISA-N 0 0 164.204 2.075 10 30 AEEERN CC(C)[C@](C)(F)CC#N 107273536 573467163 /nfs/dbraw/zinc/46/71/63/573467163.db2.gz ZSWCPAFJUUZJRO-SSDOTTSWSA-N 0 0 129.178 2.284 10 30 AEEERN CC[C@@H](C)CNc1ccnc(C#N)c1 61812319 573467254 /nfs/dbraw/zinc/46/72/54/573467254.db2.gz VFLXHYUTMCYNJK-SECBINFHSA-N 0 0 189.262 2.411 10 30 AEEERN C[C@H](CC=O)c1cc(O)ccc1F 258036266 573467326 /nfs/dbraw/zinc/46/73/26/573467326.db2.gz JNTDQBYXMMAQKK-SSDOTTSWSA-N 0 0 182.194 2.224 10 30 AEEERN CC(=O)[C@@H]1CCC=C[C@H]1[C@@H](C)C#N 238409797 573467329 /nfs/dbraw/zinc/46/73/29/573467329.db2.gz YPDROFNHLCIVSL-LSJOCFKGSA-N 0 0 177.247 2.317 10 30 AEEERN CCCSc1ccnc(C#N)c1 61815514 573467481 /nfs/dbraw/zinc/46/74/81/573467481.db2.gz ORHOHJOJIMFULX-UHFFFAOYSA-N 0 0 178.260 2.455 10 30 AEEERN COc1c(F)ccc2c(C#N)c[nH]c12 238408884 573467488 /nfs/dbraw/zinc/46/74/88/573467488.db2.gz MSHKZRXLMPRIFA-UHFFFAOYSA-N 0 0 190.177 2.187 10 30 AEEERN COC(C)(C)COCCCCC#N 393636012 573467511 /nfs/dbraw/zinc/46/75/11/573467511.db2.gz JSAKOHOEEKXAPA-UHFFFAOYSA-N 0 0 185.267 2.122 10 30 AEEERN Cc1[nH]c2ccsc2c1C#N 259461389 573467535 /nfs/dbraw/zinc/46/75/35/573467535.db2.gz ACRBQSPTAJJWNN-UHFFFAOYSA-N 0 0 162.217 2.410 10 30 AEEERN O=C[C@H]1CCc2cccc(Cl)c2O1 259461819 573467541 /nfs/dbraw/zinc/46/75/41/573467541.db2.gz GOJKAXRMNAQZRY-MRVPVSSYSA-N 0 0 196.633 2.233 10 30 AEEERN N#C[C@H]1CCC[C@@H](c2ccccc2)N1 258499049 573467564 /nfs/dbraw/zinc/46/75/64/573467564.db2.gz FWEPVPVPAJCENR-NEPJUHHUSA-N 0 0 186.258 2.393 10 30 AEEERN C=C1[C@H](C)Cc2ccccc2[C@@H]1O 238409643 573467567 /nfs/dbraw/zinc/46/75/67/573467567.db2.gz YBWWYUHYXAHPCD-PRHODGIISA-N 0 0 174.243 2.468 10 30 AEEERN CO[C@H]1c2ccccc2[C@@H]2C[C@@]21C=O 238409807 573467603 /nfs/dbraw/zinc/46/76/03/573467603.db2.gz AMYZBFYWZCSYQR-SDDRHHMPSA-N 0 0 188.226 2.060 10 30 AEEERN C/C(=C/[C@H](O)[C@@H](C)C#N)C(C)(C)C 238409710 573467627 /nfs/dbraw/zinc/46/76/27/573467627.db2.gz ZITYZJRKNOAYJU-ABUIULPASA-N 0 0 181.279 2.499 10 30 AEEERN COc1ncc(CC#N)cc1C(F)F 238409977 573472155 /nfs/dbraw/zinc/47/21/55/573472155.db2.gz KCSCARNRXJWWAG-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CC[C@@H](C1CC1)[N@H+](C)C[C@H](C)C#N 308391219 573472199 /nfs/dbraw/zinc/47/21/99/573472199.db2.gz ZRNRUERDIVCKGX-KOLCDFICSA-N 0 0 180.295 2.266 10 30 AEEERN CCOC(=O)[C@H](C#N)CC1(C)CCC1 308584561 573472252 /nfs/dbraw/zinc/47/22/52/573472252.db2.gz RBSSALKFUKINEL-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN CC(=O)[C@H]1CCC=C[C@@H]1[C@@H](C)C#N 238410068 573472298 /nfs/dbraw/zinc/47/22/98/573472298.db2.gz YPDROFNHLCIVSL-JMJZKYOTSA-N 0 0 177.247 2.317 10 30 AEEERN CC(=O)[C@@H]1CCC=C[C@@H]1[C@@H](C)C#N 238410093 573472395 /nfs/dbraw/zinc/47/23/95/573472395.db2.gz YPDROFNHLCIVSL-GDPRMGEGSA-N 0 0 177.247 2.317 10 30 AEEERN C/C=C\CCNC(=O)[C@@H](C#N)CCC 308391815 573472415 /nfs/dbraw/zinc/47/24/15/573472415.db2.gz MZEQXXWEFGJEJS-TZGMSPROSA-N 0 0 194.278 2.009 10 30 AEEERN C[C@@H]1CC(=O)C[C@H](C#N)C1(C)C 238410012 573472552 /nfs/dbraw/zinc/47/25/52/573472552.db2.gz CXQSMJOOXJDCAZ-HTQZYQBOSA-N 0 0 165.236 2.151 10 30 AEEERN C=C[C@]1(O)C=C[C@@H](CCCC)[C@H](O)C1 308583053 573472578 /nfs/dbraw/zinc/47/25/78/573472578.db2.gz KUNAPKVXANHMKB-UTUOFQBUSA-N 0 0 196.290 2.031 10 30 AEEERN C[C@@H]1CCC[C@@H](S)C(=O)CC1 238410129 573472584 /nfs/dbraw/zinc/47/25/84/573472584.db2.gz YBTHBCFYRWZWCX-VXNVDRBHSA-N 0 0 172.293 2.454 10 30 AEEERN C[C@@H](C#N)[C@H](O)/C=C/c1ccccc1 238410050 573472654 /nfs/dbraw/zinc/47/26/54/573472654.db2.gz XDMGPOSMCTYESI-PXYQHZOESA-N 0 0 187.242 2.220 10 30 AEEERN O=CC(F)(F)Cc1ccc(F)cc1 257820757 573472700 /nfs/dbraw/zinc/47/27/00/573472700.db2.gz FXDCGBRCJBNVOE-UHFFFAOYSA-N 0 0 188.148 2.202 10 30 AEEERN CC[C@H](CC#N)[C@H](C)F 257820711 573472738 /nfs/dbraw/zinc/47/27/38/573472738.db2.gz DMUFVEYPBROUAN-NKWVEPMBSA-N 0 0 129.178 2.284 10 30 AEEERN C#CCON[C@@H](C)c1cc(C)oc1C 308594761 573480560 /nfs/dbraw/zinc/48/05/60/573480560.db2.gz XWACNOJECREDHU-VIFPVBQESA-N 0 0 193.246 2.112 10 30 AEEERN CCc1nsc2c1cc(C#N)n2C 259469312 573480584 /nfs/dbraw/zinc/48/05/84/573480584.db2.gz YRLGCKFQJZXERM-UHFFFAOYSA-N 0 0 191.259 2.069 10 30 AEEERN C[C@@H](O)C#Cc1ccc2ccoc2c1 238414434 573480647 /nfs/dbraw/zinc/48/06/47/573480647.db2.gz XTNSQFZNCGAAOJ-SECBINFHSA-N 0 0 186.210 2.165 10 30 AEEERN C[C@H](C#N)c1cccnc1Cl 238414318 573480777 /nfs/dbraw/zinc/48/07/77/573480777.db2.gz IHSKAOUGKRPUQQ-ZCFIWIBFSA-N 0 0 166.611 2.362 10 30 AEEERN C[C@@H]1C[C@@]1(C)C(Cl)=NO 714699424 573480841 /nfs/dbraw/zinc/48/08/41/573480841.db2.gz PUMHKAZEGAYUPL-INEUFUBQSA-N 0 0 147.605 2.059 10 30 AEEERN C[C@@H]1CCC[C@@]1(C#N)NCC1CC1 83393358 573480887 /nfs/dbraw/zinc/48/08/87/573480887.db2.gz VPTQIPOLAKSHKU-KOLCDFICSA-N 0 0 178.279 2.068 10 30 AEEERN C[C@](F)(C=O)c1cc(F)ccc1F 257818935 573480972 /nfs/dbraw/zinc/48/09/72/573480972.db2.gz FGGALUSALMAOKL-VIFPVBQESA-N 0 0 188.148 2.348 10 30 AEEERN CC[C@H](C)N[C@]1(C#N)CCC[C@@H]1C 83393454 573480994 /nfs/dbraw/zinc/48/09/94/573480994.db2.gz SQKFUJLMEWRSIV-DCAQKATOSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1C[C@]1(C)C(Cl)=NO 714699426 573481075 /nfs/dbraw/zinc/48/10/75/573481075.db2.gz PUMHKAZEGAYUPL-NJGYIYPDSA-N 0 0 147.605 2.059 10 30 AEEERN C=C[C@H](Oc1ccccc1)[C@@H](C)CO 308596968 573481107 /nfs/dbraw/zinc/48/11/07/573481107.db2.gz SHXHXQITTPMMDK-JQWIXIFHSA-N 0 0 192.258 2.248 10 30 AEEERN N#C[C@@]1(CCCC(F)F)CCCN1 688740013 573481184 /nfs/dbraw/zinc/48/11/84/573481184.db2.gz POUWNHXKVMNYBD-SECBINFHSA-N 0 0 188.221 2.068 10 30 AEEERN N#CCc1nc2cccc(F)c2o1 107291864 573481294 /nfs/dbraw/zinc/48/12/94/573481294.db2.gz NPMNUTULORAVFZ-UHFFFAOYSA-N 0 0 176.150 2.033 10 30 AEEERN C=C[C@H](Oc1ccccc1)[C@H](C)CO 308596969 573481305 /nfs/dbraw/zinc/48/13/05/573481305.db2.gz SHXHXQITTPMMDK-PWSUYJOCSA-N 0 0 192.258 2.248 10 30 AEEERN C[C@H]1CCC[C@]12CC(=O)C=CO2 83396943 573484413 /nfs/dbraw/zinc/48/44/13/573484413.db2.gz OXCJPOSNNREDHH-WPRPVWTQSA-N 0 0 166.220 2.048 10 30 AEEERN N#CC[C@H]1CCCC[C@H]1C#N 259471148 573483494 /nfs/dbraw/zinc/48/34/94/573483494.db2.gz BOPNPHNBEKJEKQ-BDAKNGLRSA-N 0 0 148.209 2.230 10 30 AEEERN CCN(CC)[C@]1(C#N)CCC[C@H]1C 83395970 573483571 /nfs/dbraw/zinc/48/35/71/573483571.db2.gz MPPOJDFZSADSHC-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)C(=O)Nc1ccc(C)o1 258676538 573483648 /nfs/dbraw/zinc/48/36/48/573483648.db2.gz CZGARNBBJBBUQE-MRVPVSSYSA-N 0 0 192.218 2.076 10 30 AEEERN N#Cc1oncc1-c1cccc(F)c1 259469663 573483682 /nfs/dbraw/zinc/48/36/82/573483682.db2.gz PYZRZFNECJCQGO-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN C=C[C@@]1(O)CCCC12CCC2 223107531 573483710 /nfs/dbraw/zinc/48/37/10/573483710.db2.gz VFJMCLQAZJXTSV-SNVBAGLBSA-N 0 0 152.237 2.258 10 30 AEEERN C[C@@H]1CCC[C@]12CC(=O)C=CO2 83396940 573483723 /nfs/dbraw/zinc/48/37/23/573483723.db2.gz OXCJPOSNNREDHH-SCZZXKLOSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H]1CCC[C@@]12CC(=O)C=CO2 83396935 573483742 /nfs/dbraw/zinc/48/37/42/573483742.db2.gz OXCJPOSNNREDHH-PSASIEDQSA-N 0 0 166.220 2.048 10 30 AEEERN CCc1cccc2c1N[C@H](CC=O)C2 107294478 573483778 /nfs/dbraw/zinc/48/37/78/573483778.db2.gz FGJMACBXPDMDEW-LLVKDONJSA-N 0 0 189.258 2.175 10 30 AEEERN C=C([C@@H](C)O)N(C)c1ccccc1 238415462 573483826 /nfs/dbraw/zinc/48/38/26/573483826.db2.gz UAMQVBKKIADVHK-SNVBAGLBSA-N 0 0 177.247 2.017 10 30 AEEERN C[C@@H]1CC(=O)[C@@](C)(CCC#N)C1 238415060 573483873 /nfs/dbraw/zinc/48/38/73/573483873.db2.gz NWQFTLWISTUIGO-SCZZXKLOSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1CC(=O)[C@H](C#N)C(C)(C)C1 238415617 573483908 /nfs/dbraw/zinc/48/39/08/573483908.db2.gz GIHRMEOBGPLQMK-SFYZADRCSA-N 0 0 165.236 2.151 10 30 AEEERN N#CC[C@H]1CCCC[C@@H]1C#N 259471155 573483946 /nfs/dbraw/zinc/48/39/46/573483946.db2.gz BOPNPHNBEKJEKQ-RKDXNWHRSA-N 0 0 148.209 2.230 10 30 AEEERN C[C@H]1CCC[C@@]1(C#N)N1CCCC1 83395978 573483975 /nfs/dbraw/zinc/48/39/75/573483975.db2.gz RRSTWNACPTXSMU-QWRGUYRKSA-N 0 0 178.279 2.165 10 30 AEEERN C=C(CC#C[Si](C)(C)C)[C@@H](C)O 238415186 573484009 /nfs/dbraw/zinc/48/40/09/573484009.db2.gz RCNYBAVDDAYSDI-SNVBAGLBSA-N 0 0 182.339 2.194 10 30 AEEERN C#C[C@@H](O)/C(=C/CCC)CC 143115527 573484032 /nfs/dbraw/zinc/48/40/32/573484032.db2.gz IKDLJYCHQSDTEH-AAXQSMANSA-N 0 0 152.237 2.117 10 30 AEEERN C[C@@](F)(C=O)c1cc(F)ccc1F 257818933 573484060 /nfs/dbraw/zinc/48/40/60/573484060.db2.gz FGGALUSALMAOKL-SECBINFHSA-N 0 0 188.148 2.348 10 30 AEEERN C=C(C)COc1ccc(CNO)cc1 258042429 573495325 /nfs/dbraw/zinc/49/53/25/573495325.db2.gz JWCFEPMVBMUWGV-UHFFFAOYSA-N 0 0 193.246 2.120 10 30 AEEERN Oc1cccc2[nH]cc(CS)c12 258688927 573495352 /nfs/dbraw/zinc/49/53/52/573495352.db2.gz NAAUWGIFUDODGZ-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN C=C(C)CCC(=O)c1cnn(C)c1C 162058693 573495384 /nfs/dbraw/zinc/49/53/84/573495384.db2.gz JHAHCOWYUSJKNE-UHFFFAOYSA-N 0 0 192.262 2.268 10 30 AEEERN C[C@H](C#N)Nc1ccc2ncoc2c1 258695554 573495785 /nfs/dbraw/zinc/49/57/85/573495785.db2.gz DJAPGNCGWRWNEQ-SSDOTTSWSA-N 0 0 187.202 2.152 10 30 AEEERN C#CC(=O)[C@@]1(C)CCC[C@H]1C 238424470 573495803 /nfs/dbraw/zinc/49/58/03/573495803.db2.gz NBVCTZNQUFAOBJ-SCZZXKLOSA-N 0 0 150.221 2.015 10 30 AEEERN C=CCSC(=S)C[C@H](C)O 238425701 573495825 /nfs/dbraw/zinc/49/58/25/573495825.db2.gz WDTMKCBSJRKHMV-LURJTMIESA-N 0 0 176.306 2.004 10 30 AEEERN C#CCCSCc1ccc(F)cn1 308393738 573495924 /nfs/dbraw/zinc/49/59/24/573495924.db2.gz CAZPPCCRDOULQE-UHFFFAOYSA-N 0 0 195.262 2.477 10 30 AEEERN CC(C)Oc1ccc(NCC=O)cc1 258688955 573495954 /nfs/dbraw/zinc/49/59/54/573495954.db2.gz QBXLPMURRKFSSG-UHFFFAOYSA-N 0 0 193.246 2.085 10 30 AEEERN CC1(C)O[C@@H]1c1ccc2c(c1)CCO2 259475896 573496049 /nfs/dbraw/zinc/49/60/49/573496049.db2.gz XVGKPFKNGWAEJQ-LLVKDONJSA-N 0 0 190.242 2.471 10 30 AEEERN COc1cc([C@H](C)C=O)ccc1C 238420485 573496059 /nfs/dbraw/zinc/49/60/59/573496059.db2.gz PMEIKTANQILEMI-SECBINFHSA-N 0 0 178.231 2.306 10 30 AEEERN CC[C@H](C)NN=C[C@@H](C)CCC#N 308398950 573503643 /nfs/dbraw/zinc/50/36/43/573503643.db2.gz GFWQWSRIUSIJTN-UWVGGRQHSA-N 0 0 181.283 2.300 10 30 AEEERN C[C@H](C=O)Cc1ccc2ocnc2c1 238419694 573503661 /nfs/dbraw/zinc/50/36/61/573503661.db2.gz LVKVGCFAMYYLCJ-QMMMGPOBSA-N 0 0 189.214 2.205 10 30 AEEERN COc1c(C#N)ccc2c1CCC2 258050516 573503663 /nfs/dbraw/zinc/50/36/63/573503663.db2.gz RHNAWHPAOOZZRL-UHFFFAOYSA-N 0 0 173.215 2.056 10 30 AEEERN Cc1cccnc1C[C@H](C)C#N 238419216 573503692 /nfs/dbraw/zinc/50/36/92/573503692.db2.gz JMSPVHRGOBUNQM-QMMMGPOBSA-N 0 0 160.220 2.092 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1coc(C)n1 714960652 573502872 /nfs/dbraw/zinc/50/28/72/573502872.db2.gz NBSWCNLLIFZENZ-XCBNKYQSSA-N 0 0 181.235 2.229 10 30 AEEERN O=CCCc1cccc(CF)c1 258048368 573502965 /nfs/dbraw/zinc/50/29/65/573502965.db2.gz QZFXPLSWXZEBKU-UHFFFAOYSA-N 0 0 166.195 2.288 10 30 AEEERN CC1(C)CC[C@@H]2N[C@@H](C#N)C[C@@H]2C1 259481410 573503019 /nfs/dbraw/zinc/50/30/19/573503019.db2.gz BWUWDDQBPGXJQY-BBBLOLIVSA-N 0 0 178.279 2.067 10 30 AEEERN CC(C)[C@@H]1CCC[C@](N)(C#N)CC1 83437746 573503186 /nfs/dbraw/zinc/50/31/86/573503186.db2.gz VWQLGRSROIKYFV-GHMZBOCLSA-N 0 0 180.295 2.444 10 30 AEEERN CCc1nc2sc(C#N)cc2[nH]1 259479225 573503293 /nfs/dbraw/zinc/50/32/93/573503293.db2.gz AAWBQKNOWHBIGV-UHFFFAOYSA-N 0 0 177.232 2.058 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@H]1[C@@H](C#N)CO 238419601 573503375 /nfs/dbraw/zinc/50/33/75/573503375.db2.gz FZAHLQFUZFLPAC-KXUCPTDWSA-N 0 0 181.279 2.191 10 30 AEEERN Cc1cccc([C@H]2O[C@H]2C)c1O 238419349 573503393 /nfs/dbraw/zinc/50/33/93/573503393.db2.gz OSPQDAJDCJQFFI-XVKPBYJWSA-N 0 0 164.204 2.160 10 30 AEEERN CC[C@H](C#N)C(=O)Nc1cccs1 258710370 573503397 /nfs/dbraw/zinc/50/33/97/573503397.db2.gz HEHHSZJEFCFTPA-SSDOTTSWSA-N 0 0 194.259 2.236 10 30 AEEERN Cc1ccc(C(=O)C2(C#N)CC2)o1 259110324 573503446 /nfs/dbraw/zinc/50/34/46/573503446.db2.gz HWIZZXUVUOLPLM-UHFFFAOYSA-N 0 0 175.187 2.075 10 30 AEEERN CC[C@H](C)NN=C[C@H](C)CCC#N 308398953 573503447 /nfs/dbraw/zinc/50/34/47/573503447.db2.gz GFWQWSRIUSIJTN-ZJUUUORDSA-N 0 0 181.283 2.300 10 30 AEEERN CC(C)[C@H]1CCC[C@@](N)(C#N)CC1 83437749 573503582 /nfs/dbraw/zinc/50/35/82/573503582.db2.gz VWQLGRSROIKYFV-QWRGUYRKSA-N 0 0 180.295 2.444 10 30 AEEERN C[C@@H]1CC(C)(C)CC(=O)[C@@H]1S 238418958 573503616 /nfs/dbraw/zinc/50/36/16/573503616.db2.gz IXLJYCWBPUGYKJ-HTRCEHHLSA-N 0 0 172.293 2.310 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@H](CC)OCC 714961157 573505559 /nfs/dbraw/zinc/50/55/59/573505559.db2.gz RQXJXHQVZRFENQ-DCAQKATOSA-N 0 0 186.295 2.375 10 30 AEEERN C/C(=N\Cc1ccccc1)[C@H](C)O 238419169 573505568 /nfs/dbraw/zinc/50/55/68/573505568.db2.gz IPJOOYMOJYMBQN-LZAIMSLLSA-N 0 0 177.247 2.028 10 30 AEEERN N#CCn1ccc2cc(F)ccc21 75234150 573505584 /nfs/dbraw/zinc/50/55/84/573505584.db2.gz CSTUAXYVDRSAEQ-UHFFFAOYSA-N 0 0 174.178 2.304 10 30 AEEERN CC1(C)CC[C@@H]2N[C@H](C#N)C[C@H]2C1 259481414 573505636 /nfs/dbraw/zinc/50/56/36/573505636.db2.gz BWUWDDQBPGXJQY-GUBZILKMSA-N 0 0 178.279 2.067 10 30 AEEERN C[C@H](O)C/N=N/c1ccc(C#N)cc1 238420185 573504890 /nfs/dbraw/zinc/50/48/90/573504890.db2.gz QVHGLSSDPAAJOL-PSISUFTRSA-N 0 0 189.218 2.023 10 30 AEEERN C[C@H](O)C/N=C/c1ccc(Cl)cc1 238420088 573504915 /nfs/dbraw/zinc/50/49/15/573504915.db2.gz MRALRHHKXUWDLA-OTIXFSKASA-N 0 0 197.665 2.140 10 30 AEEERN Cc1ccsc1CCN[C@@H](C)C#N 258714381 573504952 /nfs/dbraw/zinc/50/49/52/573504952.db2.gz FSRKMGZSGMOLTE-VIFPVBQESA-N 0 0 194.303 2.101 10 30 AEEERN N#Cc1ccc2c(c1)SCO2 258048495 573505042 /nfs/dbraw/zinc/50/50/42/573505042.db2.gz RCAOYLLRZKDPAS-UHFFFAOYSA-N 0 0 163.201 2.000 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1coc(C)n1 714960650 573505050 /nfs/dbraw/zinc/50/50/50/573505050.db2.gz NBSWCNLLIFZENZ-OIBJUYFYSA-N 0 0 181.235 2.229 10 30 AEEERN CC(C)[C@H]1CCC[C@](N)(C#N)CC1 83437747 573505067 /nfs/dbraw/zinc/50/50/67/573505067.db2.gz VWQLGRSROIKYFV-WDEREUQCSA-N 0 0 180.295 2.444 10 30 AEEERN CON=C(C)Cc1ccccc1F 308399954 573505126 /nfs/dbraw/zinc/50/51/26/573505126.db2.gz GLUPKQYPVHSALT-UHFFFAOYSA-N 0 0 181.210 2.391 10 30 AEEERN C=CO[C@](C)(C=O)c1ccccc1 238471751 573505140 /nfs/dbraw/zinc/50/51/40/573505140.db2.gz HHVSMNITJDLRDK-LLVKDONJSA-N 0 0 176.215 2.261 10 30 AEEERN CCC(CC)C(=O)OC[C@H](C)C#N 308399968 573505141 /nfs/dbraw/zinc/50/51/41/573505141.db2.gz GMGRHSKGPFHXRC-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN CCc1cccc(F)c1C=NOC 308399444 573505313 /nfs/dbraw/zinc/50/53/13/573505313.db2.gz GJGOJDNDXVGFHQ-UHFFFAOYSA-N 0 0 181.210 2.368 10 30 AEEERN CCc1nc(C#N)c(C(C)C)o1 259480829 573505314 /nfs/dbraw/zinc/50/53/14/573505314.db2.gz AJEIXDQTVKWCES-UHFFFAOYSA-N 0 0 164.208 2.232 10 30 AEEERN CO[C@]12CCCC1=C(C)C=CC2=O 238418929 573505412 /nfs/dbraw/zinc/50/54/12/573505412.db2.gz AEUWVAQSOGHKIO-LLVKDONJSA-N 0 0 178.231 2.011 10 30 AEEERN CCCN(CC#N)[C@@H]1CC[C@H](C)C1 308400250 573505468 /nfs/dbraw/zinc/50/54/68/573505468.db2.gz GPUKCLBPTKRSEO-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN C=C1[C@H](C)CC(C)(C)C[C@H]1O 238419315 573505490 /nfs/dbraw/zinc/50/54/90/573505490.db2.gz TYZXXBKXTTXSDI-VXNVDRBHSA-N 0 0 154.253 2.360 10 30 AEEERN Cc1[nH]c2ccccc2c1C(=O)C#N 259140977 573606564 /nfs/dbraw/zinc/60/65/64/573606564.db2.gz KIDQPKOCRVEGBQ-UHFFFAOYSA-N 0 0 184.198 2.183 10 30 AEEERN CC[Si](C#C[C@@H](C)O)(CC)CC 197432843 573606588 /nfs/dbraw/zinc/60/65/88/573606588.db2.gz QPSZTTCCCKTXDA-SNVBAGLBSA-N 0 0 184.355 2.418 10 30 AEEERN C[C@@H]1OCC[C@@H]1C(=O)C1=CCCC1 86756683 573606614 /nfs/dbraw/zinc/60/66/14/573606614.db2.gz BCBVMIYNABDZKF-WPRPVWTQSA-N 0 0 180.247 2.091 10 30 AEEERN C=C(C)[C@H](O)c1ncc(Cl)s1 223196942 573606688 /nfs/dbraw/zinc/60/66/88/573606688.db2.gz IAPIDELWQRZWQK-LURJTMIESA-N 0 0 189.667 2.406 10 30 AEEERN CCc1ccc(OCC[C@@H]2CO2)cc1 308648480 573606691 /nfs/dbraw/zinc/60/66/91/573606691.db2.gz IOKMGBVEYMMQFD-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN Cc1c(C#N)[nH]c2ccc(C=O)cc12 259479373 573506598 /nfs/dbraw/zinc/50/65/98/573506598.db2.gz BSCZCDFACGHSBL-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN C=C[C@@H](C)ONC[C@H](C)CC(F)F 688765121 573506609 /nfs/dbraw/zinc/50/66/09/573506609.db2.gz ABOFGRFQBFMFMX-HTQZYQBOSA-N 0 0 193.237 2.373 10 30 AEEERN C#CCN(CC(F)(F)F)C1CCC1 308396258 573506631 /nfs/dbraw/zinc/50/66/31/573506631.db2.gz DQEJGRJRTUKPAT-UHFFFAOYSA-N 0 0 191.196 2.036 10 30 AEEERN CC1(C)CCC[C@](N)(C#N)CC1 83436052 573506634 /nfs/dbraw/zinc/50/66/34/573506634.db2.gz VUVDMCLDURSYJA-SNVBAGLBSA-N 0 0 166.268 2.198 10 30 AEEERN CN[C@]1(C#N)CCCC(C)(C)CC1 83436058 573506673 /nfs/dbraw/zinc/50/66/73/573506673.db2.gz LGFSHIACUDDFLI-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN C=C[C@H](C)ONC[C@@H](C)CC(F)F 688765147 573506692 /nfs/dbraw/zinc/50/66/92/573506692.db2.gz ABOFGRFQBFMFMX-YUMQZZPRSA-N 0 0 193.237 2.373 10 30 AEEERN N#CCc1ccc2c(c1F)CCC2 258048174 573506905 /nfs/dbraw/zinc/50/69/05/573506905.db2.gz QWIMTAQYRUWFII-UHFFFAOYSA-N 0 0 175.206 2.380 10 30 AEEERN Cc1ccc(CNCC#N)c(C)c1C 258708206 573506920 /nfs/dbraw/zinc/50/69/20/573506920.db2.gz FEZFWPRNFQXVLR-UHFFFAOYSA-N 0 0 188.274 2.225 10 30 AEEERN CCC(CC)C(=O)OC[C@@H](C)C#N 308399971 573506950 /nfs/dbraw/zinc/50/69/50/573506950.db2.gz GMGRHSKGPFHXRC-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN COc1c(C)cc(NCC#N)cc1C 258714182 573507883 /nfs/dbraw/zinc/50/78/83/573507883.db2.gz FOIFSECGGQASLQ-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN C[C@@H]1CCc2ccoc2[C@@H]1C=O 238418971 573507902 /nfs/dbraw/zinc/50/79/02/573507902.db2.gz FNLQLZIJCYRRKR-VXNVDRBHSA-N 0 0 164.204 2.144 10 30 AEEERN CSc1ccc(CCC=O)c(O)c1 258050521 573507915 /nfs/dbraw/zinc/50/79/15/573507915.db2.gz KQVHPNZTGPPPLG-UHFFFAOYSA-N 0 0 196.271 2.246 10 30 AEEERN CCCN(CC#N)[C@@H]1CC[C@@H](C)C1 308400246 573507933 /nfs/dbraw/zinc/50/79/33/573507933.db2.gz GPUKCLBPTKRSEO-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@H](CC)OCC 714961158 573507937 /nfs/dbraw/zinc/50/79/37/573507937.db2.gz RQXJXHQVZRFENQ-GARJFASQSA-N 0 0 186.295 2.375 10 30 AEEERN C[C@@]12C=CC(=O)C(=CCC1)C2 238419571 573508073 /nfs/dbraw/zinc/50/80/73/573508073.db2.gz VNPICDQKYYVMBQ-WPRPVWTQSA-N 0 0 148.205 2.098 10 30 AEEERN C[C@H](O)C/C=C/C#Cc1ccccc1 238419477 573508094 /nfs/dbraw/zinc/50/80/94/573508094.db2.gz HABAVOCZCYFUIY-KMOQFTEPSA-N 0 0 186.254 2.365 10 30 AEEERN C=CC/C(C)=C\C[C@H](C)O 238419383 573508119 /nfs/dbraw/zinc/50/81/19/573508119.db2.gz CKETZGPSLDSFMH-XZLDQRQTSA-N 0 0 140.226 2.280 10 30 AEEERN C=C1[C@@H](O)CC(C)(C)C[C@H]1C 238419547 573508125 /nfs/dbraw/zinc/50/81/25/573508125.db2.gz TYZXXBKXTTXSDI-APPZFPTMSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@]12CC=CC[C@@H]1CC(=O)C(=O)C2 238419038 573508187 /nfs/dbraw/zinc/50/81/87/573508187.db2.gz YFIWQUVIGGKCSV-KCJUWKMLSA-N 0 0 178.231 2.374 10 30 AEEERN CCCN(CC#N)[C@H]1CC[C@@H](C)C1 308400248 573508301 /nfs/dbraw/zinc/50/83/01/573508301.db2.gz GPUKCLBPTKRSEO-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN Cc1nc2cc([C@H]3CO3)ccc2o1 259480559 573508345 /nfs/dbraw/zinc/50/83/45/573508345.db2.gz YFZCGBBLTWDACJ-SNVBAGLBSA-N 0 0 175.187 2.208 10 30 AEEERN CCc1[nH]c(CC(C)C)nc1C#N 259484806 573514838 /nfs/dbraw/zinc/51/48/38/573514838.db2.gz APPOHCHLGFXKDT-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN C/C(=N\Cc1ccccc1)[C@@H](C)O 238422058 573514852 /nfs/dbraw/zinc/51/48/52/573514852.db2.gz IPJOOYMOJYMBQN-QSARLWQPSA-N 0 0 177.247 2.028 10 30 AEEERN C#CC[C@@H](C)CCCC=O 238423045 573514261 /nfs/dbraw/zinc/51/42/61/573514261.db2.gz MTOPWGZHIHDNJJ-SECBINFHSA-N 0 0 138.210 2.015 10 30 AEEERN Cc1cc(C)c2c(c1)[C@H](C#N)NCC2 259484528 573514518 /nfs/dbraw/zinc/51/45/18/573514518.db2.gz CFROGFMADBUQIO-LBPRGKRZSA-N 0 0 186.258 2.014 10 30 AEEERN C[C@@H]1CC(C=O)=C(O)CC(C)(C)C1 238422698 573514599 /nfs/dbraw/zinc/51/45/99/573514599.db2.gz COLVOMNKATYPGO-BDAKNGLRSA-N 0 0 182.263 2.217 10 30 AEEERN CCS[C@H]1CCC[C@@](C#N)(NC)C1 86604284 573514638 /nfs/dbraw/zinc/51/46/38/573514638.db2.gz ADBRJBKDHHHGQA-VHSXEESVSA-N 0 0 198.335 2.164 10 30 AEEERN Cc1[nH]c2ccccc2c1CNCC#N 258722535 573514689 /nfs/dbraw/zinc/51/46/89/573514689.db2.gz GHBZJHYPCJVQAQ-UHFFFAOYSA-N 0 0 199.257 2.090 10 30 AEEERN C[C@@H]1CCC[C@H]2C=CC(=O)[C@@H]21 238422205 573514700 /nfs/dbraw/zinc/51/47/00/573514700.db2.gz XMWNGJBSGNLYKF-KHQFGBGNSA-N 0 0 150.221 2.178 10 30 AEEERN CCN[C@]1(C#N)CCC[C@H](SC)C1 86604375 573514730 /nfs/dbraw/zinc/51/47/30/573514730.db2.gz ITZNGQZBRVYSRP-VHSXEESVSA-N 0 0 198.335 2.164 10 30 AEEERN CCC[C@H](C#N)[C@H](C)F 257823677 573522062 /nfs/dbraw/zinc/52/20/62/573522062.db2.gz FUMIQCBDGYXBBE-NKWVEPMBSA-N 0 0 129.178 2.284 10 30 AEEERN C=C[C@@H](O)CCC(C=C)(C=C)CCO 308606715 573522180 /nfs/dbraw/zinc/52/21/80/573522180.db2.gz WTWBZKQMCSAWOA-LLVKDONJSA-N 0 0 196.290 2.054 10 30 AEEERN C[C@]12C=CC(=O)C=C1C=CCC2 238424433 573521432 /nfs/dbraw/zinc/52/14/32/573521432.db2.gz FGQDHYDLPWDBFO-NSHDSACASA-N 0 0 160.216 2.408 10 30 AEEERN C=C[C@@H](C[C@H](C)O)Oc1ccccc1 308614097 573521897 /nfs/dbraw/zinc/52/18/97/573521897.db2.gz ZJIFAYQYFHNZJF-QWRGUYRKSA-N 0 0 192.258 2.391 10 30 AEEERN Cc1[nH]c2c(C#N)cccc2c1C=O 257823354 573522281 /nfs/dbraw/zinc/52/22/81/573522281.db2.gz GKYQOADQJFQEMJ-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN Cc1[nH]c(CS)nc1C(C)C 258752970 573522351 /nfs/dbraw/zinc/52/23/51/573522351.db2.gz RJFBWFSSGFGIFP-UHFFFAOYSA-N 0 0 170.281 2.271 10 30 AEEERN CCC[C@@H](C#N)[C@@H](C)F 257823681 573522466 /nfs/dbraw/zinc/52/24/66/573522466.db2.gz FUMIQCBDGYXBBE-RQJHMYQMSA-N 0 0 129.178 2.284 10 30 AEEERN C(=N\CCc1ccccn1)\c1ccc[nH]1 308614289 573522494 /nfs/dbraw/zinc/52/24/94/573522494.db2.gz RTZGIOLJETWOSH-RAXLEYEMSA-N 0 0 199.257 2.071 10 30 AEEERN C=CCSc1nnc(C(C)C)[nH]1 75312874 573522506 /nfs/dbraw/zinc/52/25/06/573522506.db2.gz BKVOKNJKHFPVPH-UHFFFAOYSA-N 0 0 183.280 2.206 10 30 AEEERN CCCC(C)(C)CN[C@@H](C)C#N 258752602 573522514 /nfs/dbraw/zinc/52/25/14/573522514.db2.gz ISXHYWOGZJMQGE-VIFPVBQESA-N 0 0 168.284 2.314 10 30 AEEERN C[C@@H]1CCC[C@]2(C1)O[C@@H]2C 238425670 573522694 /nfs/dbraw/zinc/52/26/94/573522694.db2.gz IDYATXSKXLOSQQ-IWSPIJDZSA-N 0 0 140.226 2.354 10 30 AEEERN Cc1ccc(C)c(CN[C@@H](C)C#N)c1 258741946 573522700 /nfs/dbraw/zinc/52/27/00/573522700.db2.gz HYEXMTOCCPPFFH-NSHDSACASA-N 0 0 188.274 2.305 10 30 AEEERN CN(CC#N)c1c[nH]c2ccccc12 258747799 573522848 /nfs/dbraw/zinc/52/28/48/573522848.db2.gz IKKFBMIDAMGLFA-UHFFFAOYSA-N 0 0 185.230 2.128 10 30 AEEERN Cn1cc(CS)c2ccc(O)cc21 258057567 573524331 /nfs/dbraw/zinc/52/43/31/573524331.db2.gz OTRVVMASMXNBMP-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN Cc1ccc(-c2noc(C#N)c2C)o1 259485406 573523591 /nfs/dbraw/zinc/52/35/91/573523591.db2.gz OBHDPMHXTSRZFW-UHFFFAOYSA-N 0 0 188.186 2.423 10 30 AEEERN C[C@H]1CC(C)(C)C[C@]1(O)[C@H](C)C#N 235615474 573523593 /nfs/dbraw/zinc/52/35/93/573523593.db2.gz HARZNVXDNLPTNE-IQJOONFLSA-N 0 0 181.279 2.333 10 30 AEEERN C=C1CCC[C@@]2(C)C(=O)C=C[C@@H]12 238425009 573523631 /nfs/dbraw/zinc/52/36/31/573523631.db2.gz FNTWNBPVORAYOV-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN CCC[C@H](C#N)[C@@H](C)F 257823679 573523738 /nfs/dbraw/zinc/52/37/38/573523738.db2.gz FUMIQCBDGYXBBE-RNFRBKRXSA-N 0 0 129.178 2.284 10 30 AEEERN C=CC(=C)[C@@H](O)c1cccc(OC)c1 308612582 573523750 /nfs/dbraw/zinc/52/37/50/573523750.db2.gz YSTAOAQWTSZWKC-GFCCVEGCSA-N 0 0 190.242 2.471 10 30 AEEERN C=CCCCC[C@@H](COC)OC 33610947 573523917 /nfs/dbraw/zinc/52/39/17/573523917.db2.gz NAOGXLWCFLVHSB-JTQLQIEISA-N 0 0 172.268 2.394 10 30 AEEERN Cc1[nH]c(-c2ccsc2)nc1C#N 259485416 573523940 /nfs/dbraw/zinc/52/39/40/573523940.db2.gz OBXFXSWGAFQEIR-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN CCC[C@@H](C#N)[C@H](C)F 257823675 573524032 /nfs/dbraw/zinc/52/40/32/573524032.db2.gz FUMIQCBDGYXBBE-BQBZGAKWSA-N 0 0 129.178 2.284 10 30 AEEERN N#CCc1cc(CO)cc2ccccc12 238675110 573524121 /nfs/dbraw/zinc/52/41/21/573524121.db2.gz NOWXPOSRLDPSHF-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN C[C@@H]1CCC[C@]12CC=CC2=O 238424843 573524123 /nfs/dbraw/zinc/52/41/23/573524123.db2.gz RBAQMSXYGYZEIG-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN N#CCCc1ccc2c(c1)COC2 259613986 573524159 /nfs/dbraw/zinc/52/41/59/573524159.db2.gz HKOPFYUBQQXKAB-UHFFFAOYSA-N 0 0 173.215 2.173 10 30 AEEERN C[C@@H](O)CC#CCCc1ccccc1 238426096 573526640 /nfs/dbraw/zinc/52/66/40/573526640.db2.gz IOUFWHWDKBSXQI-GFCCVEGCSA-N 0 0 188.270 2.394 10 30 AEEERN CSC1(C#N)CC(C)(C)C1 83484157 573526655 /nfs/dbraw/zinc/52/66/55/573526655.db2.gz TXPMNBCMQKGGHI-UHFFFAOYSA-N 0 0 155.266 2.432 10 30 AEEERN CC(C)C[C@H](C#N)CF 257826693 573526675 /nfs/dbraw/zinc/52/66/75/573526675.db2.gz HGHDLCYIGZTLAZ-ZETCQYMHSA-N 0 0 129.178 2.142 10 30 AEEERN N#CCOCc1ccc(Cl)cc1 83473807 573526684 /nfs/dbraw/zinc/52/66/84/573526684.db2.gz JSDUJNDCPILDGG-UHFFFAOYSA-N 0 0 181.622 2.380 10 30 AEEERN Nc1ccccc1C=Nc1cccnc1 308612852 573526704 /nfs/dbraw/zinc/52/67/04/573526704.db2.gz GBTRGMFVODRWRZ-UHFFFAOYSA-N 0 0 197.241 2.414 10 30 AEEERN C[C@@H](O)CC#CC1=CCCCC1 238425985 573526838 /nfs/dbraw/zinc/52/68/38/573526838.db2.gz SIPTYNYETFPIIX-SNVBAGLBSA-N 0 0 164.248 2.261 10 30 AEEERN COc1cc(C)c(NCC#N)cc1C 258744400 573526895 /nfs/dbraw/zinc/52/68/95/573526895.db2.gz IAPOYVKXBLDFSG-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN CCCC(C)(C)CN[C@H](C)C#N 258752599 573526905 /nfs/dbraw/zinc/52/69/05/573526905.db2.gz ISXHYWOGZJMQGE-SECBINFHSA-N 0 0 168.284 2.314 10 30 AEEERN Cc1[nH]c2ccccc2c1N(C)CC#N 258750217 573526922 /nfs/dbraw/zinc/52/69/22/573526922.db2.gz IOMIZJOOHUOYCV-UHFFFAOYSA-N 0 0 199.257 2.436 10 30 AEEERN C=C1CCC[C@@]2(C)C(=O)C=C[C@H]12 238425283 573526957 /nfs/dbraw/zinc/52/69/57/573526957.db2.gz FNTWNBPVORAYOV-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN Cc1ccc(N(C)C(C)(C)C#N)o1 258752987 573527131 /nfs/dbraw/zinc/52/71/31/573527131.db2.gz IYHYPUPTIZFSLC-UHFFFAOYSA-N 0 0 178.235 2.326 10 30 AEEERN Cc1ccc(-c2c[nH]nc2C#N)cc1 259488423 573527199 /nfs/dbraw/zinc/52/71/99/573527199.db2.gz SFUVNQCTDMIZAS-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN CCC(C#N)(CC)SC 83484153 573527250 /nfs/dbraw/zinc/52/72/50/573527250.db2.gz LDGFLVWPZWWFKY-UHFFFAOYSA-N 0 0 143.255 2.432 10 30 AEEERN CSC1(C#N)CC2(CC2)C1 83484159 573527272 /nfs/dbraw/zinc/52/72/72/573527272.db2.gz NMXGMQLLKHBSLX-UHFFFAOYSA-N 0 0 153.250 2.186 10 30 AEEERN O=CC[C@@H]1CCc2c(F)cccc21 257825017 573542671 /nfs/dbraw/zinc/54/26/71/573542671.db2.gz GXTYYEWKEVACPB-QMMMGPOBSA-N 0 0 178.206 2.445 10 30 AEEERN CC#C[C@H](O)CCCOCC(C)(C)C 308615038 573541955 /nfs/dbraw/zinc/54/19/55/573541955.db2.gz ZOPHBBBLFMISLY-NSHDSACASA-N 0 0 198.306 2.214 10 30 AEEERN N#CC1(Cc2ccc3c(c2)CCO3)CC1 259105193 573542073 /nfs/dbraw/zinc/54/20/73/573542073.db2.gz KCLQBYHVHCYPSW-UHFFFAOYSA-N 0 0 199.253 2.468 10 30 AEEERN C=C[C@@H](C)[C@@H](O)C#CC(C)(C)C 238435357 573542218 /nfs/dbraw/zinc/54/22/18/573542218.db2.gz XXCXZMGDTBXORE-ZJUUUORDSA-N 0 0 166.264 2.219 10 30 AEEERN O=C1C=C(C2CCOCC2)CCC1 83534776 573542269 /nfs/dbraw/zinc/54/22/69/573542269.db2.gz AKGUUGPYAVCYLF-UHFFFAOYSA-N 0 0 180.247 2.092 10 30 AEEERN C=C[C@@H](C)[C@@H](O)C=C(C)C 238435496 573542307 /nfs/dbraw/zinc/54/23/07/573542307.db2.gz PYSWYUCNYVBXPS-BDAKNGLRSA-N 0 0 140.226 2.136 10 30 AEEERN CCn1cc(C2=CC(=O)CCC2)cn1 83534778 573542315 /nfs/dbraw/zinc/54/23/15/573542315.db2.gz JSUGKNJYZAPUGZ-UHFFFAOYSA-N 0 0 190.246 2.039 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@@H]1/C=C\CO 308618075 573542379 /nfs/dbraw/zinc/54/23/79/573542379.db2.gz BTADSENLPYRVOC-OXTPZFROSA-N 0 0 196.290 2.439 10 30 AEEERN C=C(C)[C@H]1C(=O)CC[C@H]1C 238434736 573542404 /nfs/dbraw/zinc/54/24/04/573542404.db2.gz QXOUIKCWDIVFQS-VXNVDRBHSA-N 0 0 138.210 2.178 10 30 AEEERN CO[C@@](C)(C=O)c1cccc(C)c1 257825084 573542489 /nfs/dbraw/zinc/54/24/89/573542489.db2.gz GZZXNDKLOBVPNA-NSHDSACASA-N 0 0 178.231 2.056 10 30 AEEERN CCCn1cc(N[C@@H](C)CC#N)cn1 308618525 573542502 /nfs/dbraw/zinc/54/25/02/573542502.db2.gz SJXZZCHBBMBLHI-VIFPVBQESA-N 0 0 192.266 2.007 10 30 AEEERN C=C1CC[C@@H]2[C@H]1C(=O)C2(C)C 224283165 573544942 /nfs/dbraw/zinc/54/49/42/573544942.db2.gz AIWUCAJTUHTXMC-SFYZADRCSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H]1C(=O)C=CC(C)(C)[C@@H]1C 238435372 573544233 /nfs/dbraw/zinc/54/42/33/573544233.db2.gz GTRHOYCRSOKTAD-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN CO[C@@H]1[C@@H](C#N)[C@H]1CC(C)(C)C 259501264 573544324 /nfs/dbraw/zinc/54/43/24/573544324.db2.gz AUEJTNRIJSZCMV-VGMNWLOBSA-N 0 0 167.252 2.207 10 30 AEEERN C#C[C@@H](C)[C@@H](O)/C=C\c1ccccc1 308627525 573544344 /nfs/dbraw/zinc/54/43/44/573544344.db2.gz OYMXQVYUFHOYES-SMBHTCTHSA-N 0 0 186.254 2.330 10 30 AEEERN CCOc1ccc([C@](C)(F)C=O)cc1 257825395 573544354 /nfs/dbraw/zinc/54/43/54/573544354.db2.gz HFXDFZKBSMRMQI-LLVKDONJSA-N 0 0 196.221 2.469 10 30 AEEERN CO[C@@](C)(CC=O)c1ccc(F)cc1 257824810 573544450 /nfs/dbraw/zinc/54/44/50/573544450.db2.gz GZJOWWFISCDRMP-NSHDSACASA-N 0 0 196.221 2.276 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)c1ccc(O)cc1 259499772 573544528 /nfs/dbraw/zinc/54/45/28/573544528.db2.gz AOGBVKITWUVPQG-KCJUWKMLSA-N 0 0 173.215 2.193 10 30 AEEERN CN[C@@H](C#N)c1ccc(Cl)s1 259497719 573544759 /nfs/dbraw/zinc/54/47/59/573544759.db2.gz RUONRORHVNQJBP-YFKPBYRVSA-N 0 0 186.667 2.186 10 30 AEEERN COc1ccc([C@H]2CC[C@@H]2C=O)cc1 257824782 573544766 /nfs/dbraw/zinc/54/47/66/573544766.db2.gz GYOMBEOIBSFSOV-ZYHUDNBSSA-N 0 0 190.242 2.388 10 30 AEEERN CC/C(=C\C#Cc1ccccc1)CO 308626699 573544807 /nfs/dbraw/zinc/54/48/07/573544807.db2.gz NDKDMHOUKQTCNX-FMIVXFBMSA-N 0 0 186.254 2.367 10 30 AEEERN C[C@@H]1CC=C(C(=O)[C@@H]2CCOC2)CC1 235616881 573556469 /nfs/dbraw/zinc/55/64/69/573556469.db2.gz LQPCFQBILLBGGL-MWLCHTKSSA-N 0 0 194.274 2.338 10 30 AEEERN C=CC[C@H]1O[C@@H](CCCO)CC1=C 215271039 573555689 /nfs/dbraw/zinc/55/56/89/573555689.db2.gz GTCFNQQERAQEMW-WDEREUQCSA-N 0 0 182.263 2.049 10 30 AEEERN CN[C@@H](CC#N)c1cccc(C)c1 259504996 573555701 /nfs/dbraw/zinc/55/57/01/573555701.db2.gz SIODHUHGMWEJTK-NSHDSACASA-N 0 0 174.247 2.169 10 30 AEEERN C[C@]12C[C@@]1(C=O)Cc1ccccc12 238438694 573555855 /nfs/dbraw/zinc/55/58/55/573555855.db2.gz JMVJQSOMUHQNTD-VXGBXAGGSA-N 0 0 172.227 2.089 10 30 AEEERN C#CC(=O)C1(C)[C@H](C)CC[C@H]1C 238438795 573555899 /nfs/dbraw/zinc/55/58/99/573555899.db2.gz IKFHVXCJXIZDPT-RKDXNWHRSA-N 0 0 164.248 2.261 10 30 AEEERN C=CCc1ccc([C@H](C)O)o1 238439179 573555979 /nfs/dbraw/zinc/55/59/79/573555979.db2.gz ZLRZNBDVOBEPBJ-ZETCQYMHSA-N 0 0 152.193 2.061 10 30 AEEERN CC[C@H](C)c1ccc([C@H](N)C=O)cc1 259507265 573556031 /nfs/dbraw/zinc/55/60/31/573556031.db2.gz UVPAFIMVBNFFDL-JOYOIKCWSA-N 0 0 191.274 2.399 10 30 AEEERN C[C@H]1CCCC[C@](C)(C#N)C1=O 238438741 573556041 /nfs/dbraw/zinc/55/60/41/573556041.db2.gz JOXNCMJIHSOCJS-WCBMZHEXSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@@H](C)c1ccc([C@@H](N)C=O)cc1 259507268 573556103 /nfs/dbraw/zinc/55/61/03/573556103.db2.gz UVPAFIMVBNFFDL-SKDRFNHKSA-N 0 0 191.274 2.399 10 30 AEEERN CC(=NC#N)N[C@H](C)c1ccccc1 238438726 573556109 /nfs/dbraw/zinc/55/61/09/573556109.db2.gz RPPOVEDAZUZBDD-SECBINFHSA-N 0 0 187.246 2.237 10 30 AEEERN C=C(CO)C[C@@H]1CCCSC1 258061260 573556130 /nfs/dbraw/zinc/55/61/30/573556130.db2.gz DULATDBAIUIKJO-VIFPVBQESA-N 0 0 172.293 2.068 10 30 AEEERN C=CCCNc1cc(N)cc(Cl)n1 236327911 573556153 /nfs/dbraw/zinc/55/61/53/573556153.db2.gz HFVWHOFBOHVBPY-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN CCC[C@@H]1C[C@@H](C#N)CC[C@H]1O 259507622 573556158 /nfs/dbraw/zinc/55/61/58/573556158.db2.gz BNSGZQITIBSMSL-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@]12C=CC(=O)[C@@](CCO)(CCC1)C2 238438987 573556296 /nfs/dbraw/zinc/55/62/96/573556296.db2.gz QAIXUASDFIYSEX-NWDGAFQWSA-N 0 0 194.274 2.074 10 30 AEEERN CN[C@H](CC#N)c1cc(C)ccc1C 259507899 573556330 /nfs/dbraw/zinc/55/63/30/573556330.db2.gz SNBPKZYPGYWMGZ-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CCC[C@@H]1C[C@H](C#N)CC[C@@H]1O 259507620 573556359 /nfs/dbraw/zinc/55/63/59/573556359.db2.gz BNSGZQITIBSMSL-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1Oc2ccccc2[C@H]1C#N 238432667 573567722 /nfs/dbraw/zinc/56/77/22/573567722.db2.gz IJQNCOAPXCXZJN-CBAPKCEASA-N 0 0 159.188 2.075 10 30 AEEERN O=CCC[C@H]1CCCSC1 107400151 573567735 /nfs/dbraw/zinc/56/77/35/573567735.db2.gz XIPFRTVKUVQFMF-QMMMGPOBSA-N 0 0 158.266 2.109 10 30 AEEERN C[C@H]1CCN1c1ccc(CC#N)cc1 86681271 573567775 /nfs/dbraw/zinc/56/77/75/573567775.db2.gz BUODXJHZZNTBKC-JTQLQIEISA-N 0 0 186.258 2.351 10 30 AEEERN C=CCOc1c(N)cccc1Cl 236353463 573567146 /nfs/dbraw/zinc/56/71/46/573567146.db2.gz NWPFPERBBOTRBD-UHFFFAOYSA-N 0 0 183.638 2.487 10 30 AEEERN CCCC1(CCC#N)COC1 258780021 573567262 /nfs/dbraw/zinc/56/72/62/573567262.db2.gz UTBJOGJZSKATAX-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN C#CCCCC(C=O)=CCOC(C)=O 308626082 573567284 /nfs/dbraw/zinc/56/72/84/573567284.db2.gz LOAXDXJAUKIIOH-OHFYBLQUSA-N 0 0 194.230 2.309 10 30 AEEERN C[C@@H]1CCC(=O)C2=C1C(=O)CCC2 238432670 573567334 /nfs/dbraw/zinc/56/73/34/573567334.db2.gz WINYOMQKVGZXKT-SSDOTTSWSA-N 0 0 178.231 2.035 10 30 AEEERN C=C(C(C)C)[C@H](O)[C@@H](O)/C=C/CCC 308625588 573567365 /nfs/dbraw/zinc/56/73/65/573567365.db2.gz KUYWHCVSUOQBNV-BRQSLIGTSA-N 0 0 198.306 2.277 10 30 AEEERN OCCCC/N=C\c1ccc(F)cc1 308624299 573567798 /nfs/dbraw/zinc/56/77/98/573567798.db2.gz JAWZUIYVUFMJGQ-LCYFTJDESA-N 0 0 195.237 2.017 10 30 AEEERN CC1(C)CN([C@H]2CCC[C@@H]2C#N)C1 86681626 573567510 /nfs/dbraw/zinc/56/75/10/573567510.db2.gz JVTZJUGUHQMJCD-ZJUUUORDSA-N 0 0 178.279 2.020 10 30 AEEERN Fc1ccccc1C1(CS)COC1 258779349 573567528 /nfs/dbraw/zinc/56/75/28/573567528.db2.gz LUNOTHFUDRIRRP-UHFFFAOYSA-N 0 0 198.262 2.024 10 30 AEEERN C[C@@H]1C=C[C@@H]([C@H](C)C=O)CC1 238445796 573575580 /nfs/dbraw/zinc/57/55/80/573575580.db2.gz KNIJNDKZBZGZLH-OPRDCNLKSA-N 0 0 152.237 2.424 10 30 AEEERN COc1cc(CC=O)ccc1Cl 86699411 573575592 /nfs/dbraw/zinc/57/55/92/573575592.db2.gz YIISCBXMBMQORP-UHFFFAOYSA-N 0 0 184.622 2.090 10 30 AEEERN Cc1cc(C)c(NC(=O)C#N)c(C)c1 258790461 573575601 /nfs/dbraw/zinc/57/56/01/573575601.db2.gz RNYMVPPILRSAQP-UHFFFAOYSA-N 0 0 188.230 2.074 10 30 AEEERN Cc1c(CC#N)ccnc1C(F)F 238445028 573574929 /nfs/dbraw/zinc/57/49/29/573574929.db2.gz WJZQJJOGMZRNQF-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C#CC[C@@](C)(O)C[C@@H](O)CCCCC 308636825 573574963 /nfs/dbraw/zinc/57/49/63/573574963.db2.gz ZRJIELJTVXGPLC-NWDGAFQWSA-N 0 0 198.306 2.092 10 30 AEEERN C[C@H]1C(=O)C=CN[C@H]1c1ccccc1 238444662 573575063 /nfs/dbraw/zinc/57/50/63/573575063.db2.gz XVPBQZAHNOSDKY-JOYOIKCWSA-N 0 0 187.242 2.050 10 30 AEEERN CCCCC(F)(F)C=O 257832643 573575176 /nfs/dbraw/zinc/57/51/76/573575176.db2.gz ACMLUYWDFBPASD-UHFFFAOYSA-N 0 0 136.141 2.011 10 30 AEEERN CCCc1nc(CCC#N)[nH]c1C 258786505 573575198 /nfs/dbraw/zinc/57/51/98/573575198.db2.gz VIUXEICYVDSBMJ-UHFFFAOYSA-N 0 0 177.251 2.127 10 30 AEEERN Cc1c(C(F)F)cc(=O)[nH]c1CC#N 238445795 573575410 /nfs/dbraw/zinc/57/54/10/573575410.db2.gz RBNWKCOOSRKARA-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C[C@@H]1CCCC(=O)[C@]12CC[C@@H](C=O)C2 238444716 573575414 /nfs/dbraw/zinc/57/54/14/573575414.db2.gz BQWSYGKLXLCPTN-FOGDFJRCSA-N 0 0 194.274 2.361 10 30 AEEERN C[C@]12CCC(=O)C=C1C[C@H](C=O)CC2 238445256 573575459 /nfs/dbraw/zinc/57/54/59/573575459.db2.gz VAQQCGNLRMFUPH-SKDRFNHKSA-N 0 0 192.258 2.281 10 30 AEEERN [N-]=[N+]=NC1=NN=C(c2ccncc2)C1 75494783 573589373 /nfs/dbraw/zinc/58/93/73/573589373.db2.gz FGCAVUQUTYAEPU-UHFFFAOYSA-N 0 0 186.178 2.414 10 30 AEEERN Cc1ccc(CN[C@H](C)C#N)cc1C 258811111 573589393 /nfs/dbraw/zinc/58/93/93/573589393.db2.gz OCVKVRSEBYYXBW-LLVKDONJSA-N 0 0 188.274 2.305 10 30 AEEERN N#C[C@@H]1CCc2nc3ccccc3n2C1 259519040 573588802 /nfs/dbraw/zinc/58/88/02/573588802.db2.gz ASCMGDWGCCUDEX-VIFPVBQESA-N 0 0 197.241 2.122 10 30 AEEERN N#C[C@H]1CCS[C@@H]1c1cccnc1 259519060 573588845 /nfs/dbraw/zinc/58/88/45/573588845.db2.gz ASGIBOUIVPBAOW-SCZZXKLOSA-N 0 0 190.271 2.399 10 30 AEEERN Cc1ccsc1CNC(C)(C)C#N 258811340 573588886 /nfs/dbraw/zinc/58/88/86/573588886.db2.gz OGEXWOUGCOSMNJ-UHFFFAOYSA-N 0 0 194.303 2.448 10 30 AEEERN C#CC[C@@H](C[C@@H](C)CC(C)(C)C)NN 126637047 573588914 /nfs/dbraw/zinc/58/89/14/573588914.db2.gz LHGYDCWAKHSBQS-MNOVXSKESA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@H](CC)OC(=O)c1nccs1 308404339 573589014 /nfs/dbraw/zinc/58/90/14/573589014.db2.gz IVNOZABVOJVLGX-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C[C@H]1C=CC=C2C(=O)C=C[C@@]21C 238443241 573589080 /nfs/dbraw/zinc/58/90/80/573589080.db2.gz WNTHRWBDUDQPTE-GZMMTYOYSA-N 0 0 160.216 2.264 10 30 AEEERN C=CCC[NH2+][C@H](C)c1ccncc1F 308640737 573589128 /nfs/dbraw/zinc/58/91/28/573589128.db2.gz DRFUGVAKZNTVRB-SECBINFHSA-N 0 0 194.253 2.447 10 30 AEEERN C[C@H](C=O)[C@H](O)c1ccc(Cl)cc1 238443618 573589132 /nfs/dbraw/zinc/58/91/32/573589132.db2.gz QTTVGJCVRURJOY-XCBNKYQSSA-N 0 0 198.649 2.208 10 30 AEEERN CC1=C[C@H](C)CCCC1=O 238443393 573589170 /nfs/dbraw/zinc/58/91/70/573589170.db2.gz UBMWZFRVBKIEEG-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H]1C=CC(=O)[C@H]1C(C)(C)C 238442905 573589180 /nfs/dbraw/zinc/58/91/80/573589180.db2.gz CDBWNJHILGIMED-CBAPKCEASA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H]1CC(=O)[C@@H](C#N)C(C)(C)C1 238455587 573592944 /nfs/dbraw/zinc/59/29/44/573592944.db2.gz GIHRMEOBGPLQMK-JGVFFNPUSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H]1C=CCC[C@@H]1C#N 75520141 573592961 /nfs/dbraw/zinc/59/29/61/573592961.db2.gz QNBUNDFJTSPPAD-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN Cc1ccc(O)c(CCC#N)c1 238456285 573593100 /nfs/dbraw/zinc/59/31/00/573593100.db2.gz OUBAZJJSOQGDLT-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN O=CCc1cnc(C2CCC2)s1 259135661 573593226 /nfs/dbraw/zinc/59/32/26/573593226.db2.gz HAWFCLAWKNRQQA-UHFFFAOYSA-N 0 0 181.260 2.152 10 30 AEEERN Cc1c(N)ccc2c1C[C@@H](C#N)S2 259521898 573593238 /nfs/dbraw/zinc/59/32/38/573593238.db2.gz XLCUWZRIJOAXJC-ZETCQYMHSA-N 0 0 190.271 2.118 10 30 AEEERN C[C@@H]1CCC=C[C@H]1C#N 75520030 573593275 /nfs/dbraw/zinc/59/32/75/573593275.db2.gz KTOOPRZKBHHCTD-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN C[C@@H]1CC[C@@](C)(C#N)C1 75520825 573593336 /nfs/dbraw/zinc/59/33/36/573593336.db2.gz NWXQRTZPLJMUAB-HTQZYQBOSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@H]1CC[C@@](C)(C#N)C1 75520829 573593352 /nfs/dbraw/zinc/59/33/52/573593352.db2.gz NWXQRTZPLJMUAB-JGVFFNPUSA-N 0 0 123.199 2.336 10 30 AEEERN COc1ccc(C#N)c(SC)c1 83692774 573593413 /nfs/dbraw/zinc/59/34/13/573593413.db2.gz XPCFFIHCXUTXNF-UHFFFAOYSA-N 0 0 179.244 2.289 10 30 AEEERN N#C[C@H]1CCS[C@H]1c1cccnc1 259519056 573593442 /nfs/dbraw/zinc/59/34/42/573593442.db2.gz ASGIBOUIVPBAOW-PSASIEDQSA-N 0 0 190.271 2.399 10 30 AEEERN C#CC[C@@H](C[C@H](C)CC(C)(C)C)NN 126636846 573593462 /nfs/dbraw/zinc/59/34/62/573593462.db2.gz LHGYDCWAKHSBQS-QWRGUYRKSA-N 0 0 196.338 2.304 10 30 AEEERN C[C@H]1CC(=O)[C@@](C)(CCC#N)C1 238456914 573597484 /nfs/dbraw/zinc/59/74/84/573597484.db2.gz NWQFTLWISTUIGO-WPRPVWTQSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1CC[C@H](C=O)C1(C)C 75527922 573597496 /nfs/dbraw/zinc/59/74/96/573597496.db2.gz HHZSLSRWAVPAFD-HTQZYQBOSA-N 0 0 140.226 2.258 10 30 AEEERN CC1=CC(=O)[C@]2(CC1)C[C@@H]2C 238456893 573597518 /nfs/dbraw/zinc/59/75/18/573597518.db2.gz ZQRNCIXTQCDITG-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1cc(C#N)ccc1C[C@@H](C)C=O 238457612 573597534 /nfs/dbraw/zinc/59/75/34/573597534.db2.gz OZOCMMOYIPEWQQ-SECBINFHSA-N 0 0 187.242 2.244 10 30 AEEERN CC(C)(C#N)C(=O)c1cccs1 258816618 573597540 /nfs/dbraw/zinc/59/75/40/573597540.db2.gz UDTORGOTUTWKKM-UHFFFAOYSA-N 0 0 179.244 2.481 10 30 AEEERN N#CC[C@H]1CC(=O)c2sccc2C1 259522508 573596917 /nfs/dbraw/zinc/59/69/17/573596917.db2.gz BAQPLMQHJYIQBT-SSDOTTSWSA-N 0 0 191.255 2.407 10 30 AEEERN CC1=CC[C@](C)(C=O)CC1 75526465 573596942 /nfs/dbraw/zinc/59/69/42/573596942.db2.gz OWTDSAWQXAVLFO-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H]1CCC(C)(C)[C@@H]1C=O 75527964 573596982 /nfs/dbraw/zinc/59/69/82/573596982.db2.gz RKKPATKPHGNXDE-HTQZYQBOSA-N 0 0 140.226 2.258 10 30 AEEERN C=C(CC(=O)OC)c1cccc(F)c1 258070622 573596995 /nfs/dbraw/zinc/59/69/95/573596995.db2.gz FFXPQIQHBFJWJL-UHFFFAOYSA-N 0 0 194.205 2.402 10 30 AEEERN CON=C1CCC[C@H]2C[C@@]12C 393540638 573597060 /nfs/dbraw/zinc/59/70/60/573597060.db2.gz IEAKTIXCHRKEKL-IONNQARKSA-N 0 0 153.225 2.199 10 30 AEEERN CC(C)CCCNC(C)(C)C#N 258813968 573597163 /nfs/dbraw/zinc/59/71/63/573597163.db2.gz OKWPKHZHFOLURE-UHFFFAOYSA-N 0 0 168.284 2.314 10 30 AEEERN Cc1cc(-c2cscc2C#N)n[nH]1 259524630 573597173 /nfs/dbraw/zinc/59/71/73/573597173.db2.gz BCHQAYCJAJLCBC-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C[C@@H](C=O)Cc1ccc(C#N)c(F)c1 238457505 573597212 /nfs/dbraw/zinc/59/72/12/573597212.db2.gz RNYGAVRXNVKMCI-MRVPVSSYSA-N 0 0 191.205 2.075 10 30 AEEERN CC[C@@H](C=O)[C@@H]1C=CCC1 75526308 573597344 /nfs/dbraw/zinc/59/73/44/573597344.db2.gz KJEJXAVXUBAQRL-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN N#CC[C@@H]1CCO[C@@H]2CCSC[C@H]12 259522547 573599177 /nfs/dbraw/zinc/59/91/77/573599177.db2.gz BBIVBVQLBFGUMW-OPRDCNLKSA-N 0 0 197.303 2.058 10 30 AEEERN C[C@@H]1CC[C@@H](O)[C@@H](CCC#N)C1 259524411 573599221 /nfs/dbraw/zinc/59/92/21/573599221.db2.gz DQILVNIFZNYVLS-KXUCPTDWSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CCC(C)(C)[C@H]1C=O 75527968 573599239 /nfs/dbraw/zinc/59/92/39/573599239.db2.gz RKKPATKPHGNXDE-SFYZADRCSA-N 0 0 140.226 2.258 10 30 AEEERN CON=C1CCC[C@@H]2C[C@]12C 393540631 573599263 /nfs/dbraw/zinc/59/92/63/573599263.db2.gz IEAKTIXCHRKEKL-APPZFPTMSA-N 0 0 153.225 2.199 10 30 AEEERN C[C@H](C#N)N1CCC[C@H]2CCC[C@@H]21 83701006 573599272 /nfs/dbraw/zinc/59/92/72/573599272.db2.gz LXTKVWCGUWBRJU-MXWKQRLJSA-N 0 0 178.279 2.163 10 30 AEEERN C=C[C@@H]([NH2+]C)c1sccc1OC 130565966 573599286 /nfs/dbraw/zinc/59/92/86/573599286.db2.gz YPBXXCHLXIWWDZ-SSDOTTSWSA-N 0 0 183.276 2.203 10 30 AEEERN CC[C@@H](C=O)[C@H]1C=CCC1 75526301 573599361 /nfs/dbraw/zinc/59/93/61/573599361.db2.gz KJEJXAVXUBAQRL-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN COc1cc(C#N)c2occc2c1 238457231 573599365 /nfs/dbraw/zinc/59/93/65/573599365.db2.gz QAGQZQZRIUSFKW-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN O=CCC[C@@H]1CCCc2cccnc21 86738000 573599392 /nfs/dbraw/zinc/59/93/92/573599392.db2.gz XRMHYAQSPHOQHM-NSHDSACASA-N 0 0 189.258 2.481 10 30 AEEERN C[C@@H]1C[C@@]2(O[C@@H]1C)OC21CCCC1 238445927 573599394 /nfs/dbraw/zinc/59/93/94/573599394.db2.gz CDIKDXCHQWMPKX-FXPVBKGRSA-N 0 0 182.263 2.471 10 30 AEEERN C[C@H]1CCC(C)(C)[C@H]1C=O 75527971 573599463 /nfs/dbraw/zinc/59/94/63/573599463.db2.gz RKKPATKPHGNXDE-YUMQZZPRSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H](O)[C@@H](C)c1cc(F)ccc1C#N 238457098 573599661 /nfs/dbraw/zinc/59/96/61/573599661.db2.gz SAPWHRJGBNRMPB-SFYZADRCSA-N 0 0 193.221 2.182 10 30 AEEERN O=C(C[C@@H]1CCOC1)C1=CCCCC1 236392067 573599665 /nfs/dbraw/zinc/59/96/65/573599665.db2.gz ZGQGODLESORJQK-JTQLQIEISA-N 0 0 194.274 2.483 10 30 AEEERN CCc1ncc(CCCC#N)nc1C 259526387 573599678 /nfs/dbraw/zinc/59/96/78/573599678.db2.gz BHYCMLJCRXKDMF-UHFFFAOYSA-N 0 0 189.262 2.194 10 30 AEEERN N#CC[C@@H]1CCO[C@H]2CCSC[C@H]21 259522549 573599683 /nfs/dbraw/zinc/59/96/83/573599683.db2.gz BBIVBVQLBFGUMW-UTLUCORTSA-N 0 0 197.303 2.058 10 30 AEEERN C[C@H]1CC[C@@H](C=O)C1(C)C 75527932 573599702 /nfs/dbraw/zinc/59/97/02/573599702.db2.gz HHZSLSRWAVPAFD-YUMQZZPRSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H](F)[C@@H](C#N)NCc1ccccc1 238449887 573613587 /nfs/dbraw/zinc/61/35/87/573613587.db2.gz CCEXZPBQHYLXNW-GXSJLCMTSA-N 0 0 192.237 2.026 10 30 AEEERN C[C@H](F)[C@H](C#N)NCc1ccccc1 238449517 573613616 /nfs/dbraw/zinc/61/36/16/573613616.db2.gz CCEXZPBQHYLXNW-ONGXEEELSA-N 0 0 192.237 2.026 10 30 AEEERN C=C[C@@]1(C)C(=O)Nc2ccccc21 238449294 573613675 /nfs/dbraw/zinc/61/36/75/573613675.db2.gz YFHDCHCULHVJOM-LLVKDONJSA-N 0 0 173.215 2.082 10 30 AEEERN CC(C)(C#N)Oc1ccc(C#N)cc1 259529438 573613678 /nfs/dbraw/zinc/61/36/78/573613678.db2.gz LMUGYLYQDFGLJB-UHFFFAOYSA-N 0 0 186.214 2.239 10 30 AEEERN C[C@@H]1CC[C@@H](CC=O)C(C)(C)O1 75560261 573612948 /nfs/dbraw/zinc/61/29/48/573612948.db2.gz GFCNYZMDVYRBEC-BDAKNGLRSA-N 0 0 170.252 2.169 10 30 AEEERN C=C[C@]1(C)C(=O)[C@@H]2CCC=C[C@@H]21 238449720 573613695 /nfs/dbraw/zinc/61/36/95/573613695.db2.gz FULQBNUBQHLVRP-YWVKMMECSA-N 0 0 162.232 2.344 10 30 AEEERN COc1cc(F)c(CCC#N)cc1F 259128324 573613006 /nfs/dbraw/zinc/61/30/06/573613006.db2.gz MJFVGUQBQNXHCM-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN C[C@H](CC#N)[C@H]1CCCCC1=O 238449515 573613010 /nfs/dbraw/zinc/61/30/10/573613010.db2.gz GUTKARKYKFZADS-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN C=CCC[C@@H](O)[Si](C)(C)C 238449087 573613025 /nfs/dbraw/zinc/61/30/25/573613025.db2.gz BRZCAIHBQCEGHN-QMMMGPOBSA-N 0 0 158.317 2.191 10 30 AEEERN C[C@H](C#N)[C@@H](C#N)c1ccccc1 75559836 573613050 /nfs/dbraw/zinc/61/30/50/573613050.db2.gz IRDHCWSSTIPWLX-MWLCHTKSSA-N 0 0 170.215 2.453 10 30 AEEERN C[C@H]1CC(=O)C2=CCCC[C@@H]21 238449979 573613702 /nfs/dbraw/zinc/61/37/02/573613702.db2.gz SWNIDXDREKMWCF-JGVFFNPUSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1cc2sc(C#N)cc2n1C 259527541 573613233 /nfs/dbraw/zinc/61/32/33/573613233.db2.gz YAWSYZFFAAKRFL-UHFFFAOYSA-N 0 0 176.244 2.420 10 30 AEEERN C=C[C@]1(C)C(=O)[C@@H]2CCC[C@@H]21 238449849 573613247 /nfs/dbraw/zinc/61/32/47/573613247.db2.gz CMBKVUHAJJYAQZ-WEDXCCLWSA-N 0 0 150.221 2.178 10 30 AEEERN O=CCCCC[C@H]1C=CCS1 75560429 573613250 /nfs/dbraw/zinc/61/32/50/573613250.db2.gz NUTAIXTXKSIPIF-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN C[C@H](CC#N)[C@]1(C)CCCC1=O 238449533 573613717 /nfs/dbraw/zinc/61/37/17/573613717.db2.gz XAAMDLHPJPWTDW-SCZZXKLOSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1CCCCC[C@@H](C#N)C1=O 238449151 573613315 /nfs/dbraw/zinc/61/33/15/573613315.db2.gz NXMXOUJCNASUPJ-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN C=C[C@]1(C)C(=O)[C@H]2CCC=C[C@@H]21 238449704 573613335 /nfs/dbraw/zinc/61/33/35/573613335.db2.gz FULQBNUBQHLVRP-QXEWZRGKSA-N 0 0 162.232 2.344 10 30 AEEERN CC1=C[C@H](C)C[C@H](C)C1=O 238449084 573613377 /nfs/dbraw/zinc/61/33/77/573613377.db2.gz MITLMGZPTDRPCJ-XPUUQOCRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@]12CCC(=O)C=C1C[C@@H](C=O)CC2 238448870 573613388 /nfs/dbraw/zinc/61/33/88/573613388.db2.gz VAQQCGNLRMFUPH-CABZTGNLSA-N 0 0 192.258 2.281 10 30 AEEERN C=C1C[C@H](C)C(=O)[C@@H](C)C1 238448837 573613400 /nfs/dbraw/zinc/61/34/00/573613400.db2.gz NMSZPQBLOVVSGG-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@@]1(c2ccccc2F)CO1 96378887 573613466 /nfs/dbraw/zinc/61/34/66/573613466.db2.gz VHFRWSFRIPOVIQ-JTQLQIEISA-N 0 0 166.195 2.461 10 30 AEEERN C[C@H](C=O)CC[C@@H]1C=CCS1 75560435 573613496 /nfs/dbraw/zinc/61/34/96/573613496.db2.gz CUWFDGXLODPKMF-IUCAKERBSA-N 0 0 170.277 2.273 10 30 AEEERN N#C[C@@]1(c2ccns2)C[C@@H]2C[C@@H]2C1 259530013 573613933 /nfs/dbraw/zinc/61/39/33/573613933.db2.gz BRFBHUPZXJHPTQ-MBTKJCJQSA-N 0 0 190.271 2.334 10 30 AEEERN C=C1C=CC(=O)C[C@@H](C)C1 238448783 573614513 /nfs/dbraw/zinc/61/45/13/573614513.db2.gz ACLJJPPZSYPMSP-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN CC1=CC=C(C)[C@@H](C)CC1=O 238449531 573613983 /nfs/dbraw/zinc/61/39/83/573613983.db2.gz WHEIXVSYASNGQE-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](C#N)N(C)c1ccccc1F 258822105 573614543 /nfs/dbraw/zinc/61/45/43/573614543.db2.gz PGFAVNKDIZMMEO-MRVPVSSYSA-N 0 0 178.210 2.174 10 30 AEEERN C[C@H](CC#N)[C@@H]1CCCCC1=O 238449330 573614616 /nfs/dbraw/zinc/61/46/16/573614616.db2.gz GUTKARKYKFZADS-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@]1(c2ccccc2F)CO1 96378886 573614618 /nfs/dbraw/zinc/61/46/18/573614618.db2.gz VHFRWSFRIPOVIQ-SNVBAGLBSA-N 0 0 166.195 2.461 10 30 AEEERN O=CCCCC[C@@H]1C=CCS1 75560432 573614644 /nfs/dbraw/zinc/61/46/44/573614644.db2.gz NUTAIXTXKSIPIF-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN C=C[C@@]1(C)Cc2cc(C=O)ccc2O1 238449543 573614653 /nfs/dbraw/zinc/61/46/53/573614653.db2.gz WAVFSOBNYKERCO-LBPRGKRZSA-N 0 0 188.226 2.379 10 30 AEEERN N#Cc1cn2c(n1)sc1ccccc12 259529590 573614000 /nfs/dbraw/zinc/61/40/00/573614000.db2.gz YGLNSMYYGYKVLK-UHFFFAOYSA-N 0 0 199.238 2.421 10 30 AEEERN Cc1ccccc1[C@H](S)N(C)C 259528530 573614046 /nfs/dbraw/zinc/61/40/46/573614046.db2.gz NCBFODKTHFGNIG-JTQLQIEISA-N 0 0 181.304 2.485 10 30 AEEERN Cc1[nH]c2c(C)cc(N)cc2c1C#N 238449513 573614068 /nfs/dbraw/zinc/61/40/68/573614068.db2.gz UZOPUATWZBIHNZ-UHFFFAOYSA-N 0 0 185.230 2.239 10 30 AEEERN C[C@H]1C[C@@H](CCC=O)C(C)(C)O1 75560231 573614096 /nfs/dbraw/zinc/61/40/96/573614096.db2.gz BGTJHOMDDJDDSX-DTWKUNHWSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@H](F)[C@H](C=O)OCc1ccccc1 238449619 573614158 /nfs/dbraw/zinc/61/41/58/573614158.db2.gz AZIAHJQJBIHVAE-ONGXEEELSA-N 0 0 196.221 2.129 10 30 AEEERN Cc1cc(OCCS)ccc1F 96373518 573614163 /nfs/dbraw/zinc/61/41/63/573614163.db2.gz IBMUKDLPWXQNGO-UHFFFAOYSA-N 0 0 186.251 2.443 10 30 AEEERN COc1cc(C#N)c(C)c(C)c1OC 258070324 573614176 /nfs/dbraw/zinc/61/41/76/573614176.db2.gz MHIQBFRJZJAHLF-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN C=C[C@]1(C)C(=O)[C@H]2CCC[C@@H]21 238449831 573614198 /nfs/dbraw/zinc/61/41/98/573614198.db2.gz CMBKVUHAJJYAQZ-NRPADANISA-N 0 0 150.221 2.178 10 30 AEEERN CC1=CC(=O)[C@@H]([C@H](C)CC#N)CC1 238449474 573614210 /nfs/dbraw/zinc/61/42/10/573614210.db2.gz VSDOPTHOCKZIPB-NXEZZACHSA-N 0 0 177.247 2.462 10 30 AEEERN COc1ccc(CCC=O)c(C)c1C 258070309 573614231 /nfs/dbraw/zinc/61/42/31/573614231.db2.gz MGSIPYBAUMVNDM-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN O=C(C=C1CCCCC1)[C@@H]1CCOC1 236405205 573614249 /nfs/dbraw/zinc/61/42/49/573614249.db2.gz OWDRIZCHTJCEPD-LLVKDONJSA-N 0 0 194.274 2.483 10 30 AEEERN C=C(Cl)COC(=O)/C=C/CC 393542226 573614267 /nfs/dbraw/zinc/61/42/67/573614267.db2.gz HBQOPKQMBNDRCY-SNAWJCMRSA-N 0 0 174.627 2.248 10 30 AEEERN Cn1c(CC#N)cc2ccccc21 75559850 573614270 /nfs/dbraw/zinc/61/42/70/573614270.db2.gz JBDPHBDDQGUELM-UHFFFAOYSA-N 0 0 170.215 2.244 10 30 AEEERN Cc1cccc([C@]2(C)C[C@H]2C=O)c1 257837640 573614289 /nfs/dbraw/zinc/61/42/89/573614289.db2.gz LJOVVQDQBUOSMU-RYUDHWBXSA-N 0 0 174.243 2.472 10 30 AEEERN C=C(C)[C@@H]1C[C@H]1C 224400829 573614324 /nfs/dbraw/zinc/61/43/24/573614324.db2.gz ZOKGQUXVNGUSSK-RQJHMYQMSA-N 0 0 96.173 2.219 10 30 AEEERN C[C@H](F)[C@@H](C=O)OCc1ccccc1 238449983 573614442 /nfs/dbraw/zinc/61/44/42/573614442.db2.gz AZIAHJQJBIHVAE-GXSJLCMTSA-N 0 0 196.221 2.129 10 30 AEEERN N#C[C@H]1C[C@H](c2ccsc2)CCN1 259529785 573614454 /nfs/dbraw/zinc/61/44/54/573614454.db2.gz BORWTWFXDUGFCE-PSASIEDQSA-N 0 0 192.287 2.107 10 30 AEEERN C[C@H]1C[C@@H](C)CC(C=O)=C1O 238449066 573614507 /nfs/dbraw/zinc/61/45/07/573614507.db2.gz HTIGJZWUZCGEKE-YVQXEBPBSA-N 0 0 154.209 2.063 10 30 AEEERN O=CCCc1ccc2c(c1)SCO2 258070258 573616408 /nfs/dbraw/zinc/61/64/08/573616408.db2.gz MFUPBWXRXHZVQL-UHFFFAOYSA-N 0 0 194.255 2.260 10 30 AEEERN CON=Cc1c(Cl)cccc1OC 308407638 573615709 /nfs/dbraw/zinc/61/57/09/573615709.db2.gz KICNAEJWCPTBND-UHFFFAOYSA-N 0 0 199.637 2.329 10 30 AEEERN C[C@@H](C#N)N(C)c1ccccc1F 258822107 573615768 /nfs/dbraw/zinc/61/57/68/573615768.db2.gz PGFAVNKDIZMMEO-QMMMGPOBSA-N 0 0 178.210 2.174 10 30 AEEERN CCc1ccc(CNCS)cc1 258823316 573615824 /nfs/dbraw/zinc/61/58/24/573615824.db2.gz AIDNZVQAQGOLLO-UHFFFAOYSA-N 0 0 181.304 2.226 10 30 AEEERN CC1=CC[C@@H](C=O)C[C@H]1C 238450791 573615962 /nfs/dbraw/zinc/61/59/62/573615962.db2.gz QNNZDYRJSUMMJS-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN O=C(C=C1CCCCC1)[C@H]1CCOC1 236405312 573616020 /nfs/dbraw/zinc/61/60/20/573616020.db2.gz OWDRIZCHTJCEPD-NSHDSACASA-N 0 0 194.274 2.483 10 30 AEEERN C[C@H](CC(=O)C#N)c1ccccc1 238450095 573616104 /nfs/dbraw/zinc/61/61/04/573616104.db2.gz MLWYNPPBFXVCBI-SECBINFHSA-N 0 0 173.215 2.273 10 30 AEEERN C[C@H]1CC(=O)C=C2CCCC[C@@]21CO 238450461 573616114 /nfs/dbraw/zinc/61/61/14/573616114.db2.gz RDLPAWCCHZZUDA-CABZTGNLSA-N 0 0 194.274 2.074 10 30 AEEERN C[C@@H](c1ccccc1)[C@H](O)CC#N 75565514 573616179 /nfs/dbraw/zinc/61/61/79/573616179.db2.gz KCNROOMSGXVFQX-GXSJLCMTSA-N 0 0 175.231 2.065 10 30 AEEERN C=CC1=CC[C@@H](C=O)C[C@H]1C 238450804 573616561 /nfs/dbraw/zinc/61/65/61/573616561.db2.gz OKRJZPFDYHXJHM-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@@H]1Cc2ccc(CC#N)cc2C1 75561483 573616675 /nfs/dbraw/zinc/61/66/75/573616675.db2.gz HSJRTKCHFMBWCY-SECBINFHSA-N 0 0 171.243 2.487 10 30 AEEERN Cc1c(O)ccc(CCC#N)c1C 75565439 573616758 /nfs/dbraw/zinc/61/67/58/573616758.db2.gz WXMSSQXCVYHHKN-UHFFFAOYSA-N 0 0 175.231 2.465 10 30 AEEERN O=C(Cc1cncs1)C1=CCCC1 236405510 573616786 /nfs/dbraw/zinc/61/67/86/573616786.db2.gz KLIMNMUGMGKXEI-UHFFFAOYSA-N 0 0 193.271 2.365 10 30 AEEERN C=C[C@@]1(C)C=CC(=O)C[C@@H]1C 238450855 573616828 /nfs/dbraw/zinc/61/68/28/573616828.db2.gz PZHYIJMXBRZCRW-WPRPVWTQSA-N 0 0 150.221 2.344 10 30 AEEERN N#Cc1ccccc1[C@@H]1CC(=O)C=CO1 236411740 573617020 /nfs/dbraw/zinc/61/70/20/573617020.db2.gz PMTXHFYDMAOOQH-LBPRGKRZSA-N 0 0 199.209 2.102 10 30 AEEERN C#CC[C@@H](CCCCCCC)NN 126651810 573617032 /nfs/dbraw/zinc/61/70/32/573617032.db2.gz HWQYXJLJRWKICA-NSHDSACASA-N 0 0 182.311 2.202 10 30 AEEERN Cc1cccc2c(CC#N)noc12 75562315 573617038 /nfs/dbraw/zinc/61/70/38/573617038.db2.gz YISRIXZEHZGWGD-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN C=C[C@]1(C)C=CC(=O)C[C@@H]1C 238450753 573617132 /nfs/dbraw/zinc/61/71/32/573617132.db2.gz PZHYIJMXBRZCRW-WCBMZHEXSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@]12CC=CC2=O 238450107 573617155 /nfs/dbraw/zinc/61/71/55/573617155.db2.gz RLBQALDTNVUPSK-MWGHHZFTSA-N 0 0 174.243 2.344 10 30 AEEERN CC(C)(CO)c1ccc(CC#N)cc1 259532125 573621676 /nfs/dbraw/zinc/62/16/76/573621676.db2.gz RPDHYXDRIYRYIP-UHFFFAOYSA-N 0 0 189.258 2.023 10 30 AEEERN C[C@H]1CC(=O)C[C@@H](C#N)C1(C)C 238452121 573621691 /nfs/dbraw/zinc/62/16/91/573621691.db2.gz CXQSMJOOXJDCAZ-YUMQZZPRSA-N 0 0 165.236 2.151 10 30 AEEERN CCC[C@]1(C#N)CCCCC1=O 83776603 573621744 /nfs/dbraw/zinc/62/17/44/573621744.db2.gz HKSUQRUSMVSBQR-SNVBAGLBSA-N 0 0 165.236 2.440 10 30 AEEERN N#CC1(c2cncs2)CCC1 259531126 573621762 /nfs/dbraw/zinc/62/17/62/573621762.db2.gz ABUNUSIOYKPZCI-UHFFFAOYSA-N 0 0 164.233 2.088 10 30 AEEERN CC[C@](C)(C#N)C[C@H]1CCCO1 83775747 573621907 /nfs/dbraw/zinc/62/19/07/573621907.db2.gz ITKBHPOPISBLRJ-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN C=C1OC(=C)[C@@H]2C[C@H](C)C1C2=O 238452153 573621915 /nfs/dbraw/zinc/62/19/15/573621915.db2.gz NHJRDNQJIXMAOK-XNCJUZBTSA-N 0 0 164.204 2.029 10 30 AEEERN C[C@H](C[C@](C)(N)C#N)c1ccccc1 238452635 573621954 /nfs/dbraw/zinc/62/19/54/573621954.db2.gz FWKITMCSWVMMFP-PWSUYJOCSA-N 0 0 188.274 2.421 10 30 AEEERN C#CC[C@H](NN)[C@@H](CC)CCCC 126663135 573621961 /nfs/dbraw/zinc/62/19/61/573621961.db2.gz BZHGEYYMYXCLIV-QWRGUYRKSA-N 0 0 182.311 2.058 10 30 AEEERN Cc1ccc2ccc([C@@H](N)C#N)nc2c1 259532189 573621973 /nfs/dbraw/zinc/62/19/73/573621973.db2.gz FJLMTBLCHIZTJW-JTQLQIEISA-N 0 0 197.241 2.067 10 30 AEEERN CCc1sc(CC#N)nc1C 258823890 573621985 /nfs/dbraw/zinc/62/19/85/573621985.db2.gz OWNHUBDYQNCBQF-UHFFFAOYSA-N 0 0 166.249 2.080 10 30 AEEERN C#CC[C@@H](NN)[C@@H](CC)CCCC 126662715 573622039 /nfs/dbraw/zinc/62/20/39/573622039.db2.gz BZHGEYYMYXCLIV-WDEREUQCSA-N 0 0 182.311 2.058 10 30 AEEERN Cn1cc(CC2(C#N)CCCC2)cn1 83775685 573622141 /nfs/dbraw/zinc/62/21/41/573622141.db2.gz CSOADPLVEFLDLY-UHFFFAOYSA-N 0 0 189.262 2.047 10 30 AEEERN C[C@H]1C(=O)CCC(C)(C)[C@H]1C#N 238452647 573622254 /nfs/dbraw/zinc/62/22/54/573622254.db2.gz GMQUTXBXNRCEDH-SFYZADRCSA-N 0 0 165.236 2.151 10 30 AEEERN C=CC[C@]1(C)c2ccccc2O[C@H]1O 238451708 573622270 /nfs/dbraw/zinc/62/22/70/573622270.db2.gz IJDHGWHGSWPWIW-VXGBXAGGSA-N 0 0 190.242 2.231 10 30 AEEERN CC(C)C[C@@]1(C#N)CCCC1=O 83776692 573625210 /nfs/dbraw/zinc/62/52/10/573625210.db2.gz BBGDEYBWMMIYLF-SNVBAGLBSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C#N)[C@H](N)c1cccc(F)c1 259530993 573625218 /nfs/dbraw/zinc/62/52/18/573625218.db2.gz SVFRYWITPZVGHF-SNVBAGLBSA-N 0 0 192.237 2.375 10 30 AEEERN N#C[C@@]1(CC2CCCC2)CCOC1 83776430 573625270 /nfs/dbraw/zinc/62/52/70/573625270.db2.gz CZZRLTXTMIZSNY-NSHDSACASA-N 0 0 179.263 2.497 10 30 AEEERN CC1=C(C)C[C@]2(C=O)OCC[C@H]2C1 75570171 573625271 /nfs/dbraw/zinc/62/52/71/573625271.db2.gz YVQICENDBFETPB-WDEREUQCSA-N 0 0 180.247 2.091 10 30 AEEERN C#CC[C@@H](CCC1CCCCC1)NN 126669386 573625278 /nfs/dbraw/zinc/62/52/78/573625278.db2.gz PNSJOQAVYIBEOT-LBPRGKRZSA-N 0 0 194.322 2.202 10 30 AEEERN CC(C)C[C@]1(C#N)CCCC1=O 83776691 573625285 /nfs/dbraw/zinc/62/52/85/573625285.db2.gz BBGDEYBWMMIYLF-JTQLQIEISA-N 0 0 165.236 2.295 10 30 AEEERN CCCCC1(C#N)CCOCC1 83776258 573625445 /nfs/dbraw/zinc/62/54/45/573625445.db2.gz DFTSGARBPZMCTP-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN CC(C)(C#N)CC[C@H]1CCCO1 83775628 573625482 /nfs/dbraw/zinc/62/54/82/573625482.db2.gz MXFAVMHLOHQSAI-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN C=C[C@H](C)CC(C)(C)CO 238453200 573625536 /nfs/dbraw/zinc/62/55/36/573625536.db2.gz LSTFRDKRCIQNKC-QMMMGPOBSA-N 0 0 142.242 2.217 10 30 AEEERN C=CCNC(=O)S[C@@H](C)CC 238289132 573625617 /nfs/dbraw/zinc/62/56/17/573625617.db2.gz GPQVVESPGQXZJE-ZETCQYMHSA-N 0 0 173.281 2.414 10 30 AEEERN N#C[C@]1(Cc2ccco2)CCCC1=O 83776646 573625634 /nfs/dbraw/zinc/62/56/34/573625634.db2.gz LQCFPNAKKPVUAF-LLVKDONJSA-N 0 0 189.214 2.085 10 30 AEEERN N#C[C@@]1(Cc2ccccc2)CCOC1 83776370 573625641 /nfs/dbraw/zinc/62/56/41/573625641.db2.gz RDBYWDMZTYNPRV-LBPRGKRZSA-N 0 0 187.242 2.159 10 30 AEEERN O=C[C@H]1SCCc2ccccc21 75568696 573625716 /nfs/dbraw/zinc/62/57/16/573625716.db2.gz HSLHUBMXCGHRAS-SNVBAGLBSA-N 0 0 178.256 2.216 10 30 AEEERN O=C[C@@]12CCCCC1=CC(=O)CC2 75568601 573625769 /nfs/dbraw/zinc/62/57/69/573625769.db2.gz SCTXXBVNLQIPES-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN N#CC1(C[C@@H]2CCCO2)CCC1 83775948 573625802 /nfs/dbraw/zinc/62/58/02/573625802.db2.gz YOPPXWPODUZRSK-VIFPVBQESA-N 0 0 165.236 2.249 10 30 AEEERN C[C@H]1CC[C@]2(C)CC(=O)C=C12 238452997 573625879 /nfs/dbraw/zinc/62/58/79/573625879.db2.gz CSXJBIGIWQBGLM-OIBJUYFYSA-N 0 0 150.221 2.322 10 30 AEEERN C#CCOc1c(C)ccc(C)c1C=O 238453144 573625913 /nfs/dbraw/zinc/62/59/13/573625913.db2.gz LSMFZVWXIRZDAW-UHFFFAOYSA-N 0 0 188.226 2.128 10 30 AEEERN N#CC(=O)c1ccc2c(c1)CCCC2 259133407 573627450 /nfs/dbraw/zinc/62/74/50/573627450.db2.gz JQCHJLFSKNYWEG-UHFFFAOYSA-N 0 0 185.226 2.272 10 30 AEEERN CC1=CC(=O)c2c(C)cc(C=O)cc21 75577133 573627557 /nfs/dbraw/zinc/62/75/57/573627557.db2.gz AHSOLZMBJOUFIR-UHFFFAOYSA-N 0 0 186.210 2.407 10 30 AEEERN CCOCCON=C1C=C(C)CC1 393543446 573627661 /nfs/dbraw/zinc/62/76/61/573627661.db2.gz AMICSANOLRKAQV-UHFFFAOYSA-N 0 0 183.251 2.136 10 30 AEEERN C=C(C)[C@H](C)C/C=C/CO 238453901 573627699 /nfs/dbraw/zinc/62/76/99/573627699.db2.gz SRIDSJQLTZLBTM-XNPJLODASA-N 0 0 140.226 2.137 10 30 AEEERN CC(=O)[C@](C)(C#N)Cc1cccs1 83776855 573627744 /nfs/dbraw/zinc/62/77/44/573627744.db2.gz MAZYBUIWOUZAQB-JTQLQIEISA-N 0 0 193.271 2.409 10 30 AEEERN Cc1cc(Cl)c([C@H](N)C#N)cc1F 259132979 573628079 /nfs/dbraw/zinc/62/80/79/573628079.db2.gz SNYBVLNBNYHRDZ-SECBINFHSA-N 0 0 198.628 2.311 10 30 AEEERN C[C@H]1CCC[C@@](C)(CCC=O)C1=O 75576077 573628753 /nfs/dbraw/zinc/62/87/53/573628753.db2.gz LQZFNADSGVMIQG-ONGXEEELSA-N 0 0 182.263 2.361 10 30 AEEERN C=CC[C@@]1(C=O)CCC[C@H](C)C1=O 238454459 573628835 /nfs/dbraw/zinc/62/88/35/573628835.db2.gz PLBHYIRJCFHBRL-ONGXEEELSA-N 0 0 180.247 2.137 10 30 AEEERN N#Cc1nccc2c1cc1n2CCCC1 259535423 573628099 /nfs/dbraw/zinc/62/80/99/573628099.db2.gz CAZNBNANEBQCEQ-UHFFFAOYSA-N 0 0 197.241 2.244 10 30 AEEERN C=C1C(=O)[C@H]2C[C@@H]([C@@H]1C)C2(C)C 238453763 573628129 /nfs/dbraw/zinc/62/81/29/573628129.db2.gz LMRMWOUYNIJQOB-BWVDBABLSA-N 0 0 164.248 2.424 10 30 AEEERN C=C1C(=O)[C@@H](C)C[C@H]2[C@@H]1C2(C)C 238453972 573628242 /nfs/dbraw/zinc/62/82/42/573628242.db2.gz MEHFNWBUMIMUBZ-CNUIFLNQSA-N 0 0 164.248 2.424 10 30 AEEERN CC(=O)[C@@](C)(C#N)Cc1ccccc1 83776836 573628334 /nfs/dbraw/zinc/62/83/34/573628334.db2.gz CJKURGFKBMKDLQ-GFCCVEGCSA-N 0 0 187.242 2.348 10 30 AEEERN C=C[C@]1(C)C[C@]2(C)C[C@@H]2C1=O 238454144 573628374 /nfs/dbraw/zinc/62/83/74/573628374.db2.gz FGYKXQXCXTYCJQ-QNSHHTMESA-N 0 0 150.221 2.178 10 30 AEEERN Cc1nsc([C@@H](C#N)CC(C)C)n1 259533768 573628617 /nfs/dbraw/zinc/62/86/17/573628617.db2.gz BZKMGMFUQWPWSM-MRVPVSSYSA-N 0 0 195.291 2.500 10 30 AEEERN C[C@@H]1CCC[C@@](C)(CCC=O)C1=O 75576076 573628651 /nfs/dbraw/zinc/62/86/51/573628651.db2.gz LQZFNADSGVMIQG-KOLCDFICSA-N 0 0 182.263 2.361 10 30 AEEERN CC(C)Oc1ccc(C(=O)C#N)cc1 259133423 573629892 /nfs/dbraw/zinc/62/98/92/573629892.db2.gz JQWZERRNYWSRRE-UHFFFAOYSA-N 0 0 189.214 2.180 10 30 AEEERN Cc1cc(Cl)c([C@@H](N)C#N)cc1F 259132984 573629903 /nfs/dbraw/zinc/62/99/03/573629903.db2.gz SNYBVLNBNYHRDZ-VIFPVBQESA-N 0 0 198.628 2.311 10 30 AEEERN COCC[C@]1(C#N)CC[C@@H](C)C1 83782070 573629949 /nfs/dbraw/zinc/62/99/49/573629949.db2.gz JCKPTIFODFYYNH-NXEZZACHSA-N 0 0 167.252 2.353 10 30 AEEERN CCCC(CC)=NO[C@@H]1CCOC1 308409528 573630053 /nfs/dbraw/zinc/63/00/53/573630053.db2.gz LCUVAZJSUZIFAW-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN CN1CCC[C@@]1(C#N)c1ccccc1 75577349 573630138 /nfs/dbraw/zinc/63/01/38/573630138.db2.gz XBQBNEXQPDXGGS-GFCCVEGCSA-N 0 0 186.258 2.131 10 30 AEEERN N#C[C@H]1Cc2cscc2C[C@H]1C#N 75578734 573630146 /nfs/dbraw/zinc/63/01/46/573630146.db2.gz BMTRYTPGWBVDAP-OCAPTIKFSA-N 0 0 188.255 2.126 10 30 AEEERN Cc1ccc([C@@H](C)C#N)nc1 259533054 573630176 /nfs/dbraw/zinc/63/01/76/573630176.db2.gz AIQHZVDWCUTWTN-QMMMGPOBSA-N 0 0 146.193 2.017 10 30 AEEERN O=C(CCS)c1ccccc1F 259132499 573630205 /nfs/dbraw/zinc/63/02/05/573630205.db2.gz LVXYAYJTUNPKOA-UHFFFAOYSA-N 0 0 184.235 2.328 10 30 AEEERN Cc1[nH]c2c(O)ccc(C)c2c1C#N 238459224 573630331 /nfs/dbraw/zinc/63/03/31/573630331.db2.gz ICGPQTCSYMNLTF-UHFFFAOYSA-N 0 0 186.214 2.362 10 30 AEEERN CN[C@H](C#N)c1cccc(C(F)F)c1 124762145 573630372 /nfs/dbraw/zinc/63/03/72/573630372.db2.gz YBKXGKHJVWRXPH-SECBINFHSA-N 0 0 196.200 2.408 10 30 AEEERN CCC[C@@H]1C[C@@H](C#N)CCC1=O 259535002 573630396 /nfs/dbraw/zinc/63/03/96/573630396.db2.gz FPKBDGXEHDVGLC-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN Cc1cc(C)cc(-c2nc(C#N)no2)c1 259533515 573630451 /nfs/dbraw/zinc/63/04/51/573630451.db2.gz FMWOQWMTFNDLEH-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C[C@@H](C=O)Cc1ccc(Cl)c(N)c1 238459230 573631375 /nfs/dbraw/zinc/63/13/75/573631375.db2.gz IMRJQFPGUCMGLV-SSDOTTSWSA-N 0 0 197.665 2.300 10 30 AEEERN CCC[C@H]1C[C@H](C#N)CCC1=O 259535001 573631394 /nfs/dbraw/zinc/63/13/94/573631394.db2.gz FPKBDGXEHDVGLC-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN N#Cc1ccnc2cc(Cl)oc12 257834256 573631502 /nfs/dbraw/zinc/63/15/02/573631502.db2.gz KREOBWUBXMYKPF-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN Cc1cscc1C(=O)[C@H](C)C#N 86815693 573631535 /nfs/dbraw/zinc/63/15/35/573631535.db2.gz FGIYYCZHBYXGPL-ZCFIWIBFSA-N 0 0 179.244 2.399 10 30 AEEERN COc1cc(F)c2cc(C#N)[nH]c2c1 259535427 573631599 /nfs/dbraw/zinc/63/15/99/573631599.db2.gz CBCOISVMUMRTQW-UHFFFAOYSA-N 0 0 190.177 2.187 10 30 AEEERN ON=CCCc1ccccc1 254754939 573631725 /nfs/dbraw/zinc/63/17/25/573631725.db2.gz WSTRHGOVAOUOJW-UHFFFAOYSA-N 0 0 149.193 2.079 10 30 AEEERN Cc1ncc(C(F)F)c(CC#N)c1O 238459554 573631740 /nfs/dbraw/zinc/63/17/40/573631740.db2.gz YMEMIRPTDOHNRK-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1ccsc1-c1cc(C#N)n[nH]1 259134129 573631758 /nfs/dbraw/zinc/63/17/58/573631758.db2.gz FAJUGBMWXWGZLL-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN CC#CCCCCOC(=O)C(C)C 393544094 573631769 /nfs/dbraw/zinc/63/17/69/573631769.db2.gz BAFOZKDUBHXYQS-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN Cc1cc(C#N)cc([C@H](C)O)c1C 258074494 573631784 /nfs/dbraw/zinc/63/17/84/573631784.db2.gz UUMWXHJXMWVONX-VIFPVBQESA-N 0 0 175.231 2.228 10 30 AEEERN C[C@@H](C=O)Cc1ccc(Cl)c(O)c1 238459249 573631890 /nfs/dbraw/zinc/63/18/90/573631890.db2.gz GFMOFNCDHWIPAB-SSDOTTSWSA-N 0 0 198.649 2.423 10 30 AEEERN C[C@@H](C=O)Cc1ccc(F)c(C#N)c1 238459524 573631905 /nfs/dbraw/zinc/63/19/05/573631905.db2.gz PNIIRKLWHKMBDE-MRVPVSSYSA-N 0 0 191.205 2.075 10 30 AEEERN O=CCCc1nc2ccccc2s1 86826405 573631982 /nfs/dbraw/zinc/63/19/82/573631982.db2.gz LSDFBHGIARTKDE-UHFFFAOYSA-N 0 0 191.255 2.428 10 30 AEEERN C[C@@H](CC(O)=CC=O)c1ccccc1 75579839 573634382 /nfs/dbraw/zinc/63/43/82/573634382.db2.gz RHRORUUGLAHVIO-JTQLQIEISA-N 0 0 190.242 2.338 10 30 AEEERN C=C[C@@H](O)c1ccsc1C 238474146 573634410 /nfs/dbraw/zinc/63/44/10/573634410.db2.gz XOVXEUZQJUXLID-MRVPVSSYSA-N 0 0 154.234 2.276 10 30 AEEERN C=CCCCC(=O)[C@@H](OC)C1CC1 132123963 573634473 /nfs/dbraw/zinc/63/44/73/573634473.db2.gz RJAZKRPHKQMTKO-NSHDSACASA-N 0 0 182.263 2.337 10 30 AEEERN CN(CS)CCc1ccccc1 258825855 573634484 /nfs/dbraw/zinc/63/44/84/573634484.db2.gz ASIUOXKWXUHMFQ-UHFFFAOYSA-N 0 0 181.304 2.048 10 30 AEEERN Cc1cscc1C(=O)[C@@H](C)C#N 86815692 573634498 /nfs/dbraw/zinc/63/44/98/573634498.db2.gz FGIYYCZHBYXGPL-LURJTMIESA-N 0 0 179.244 2.399 10 30 AEEERN COc1ccc([C@]2(C)C[C@H]2C=O)cc1 257834987 573634646 /nfs/dbraw/zinc/63/46/46/573634646.db2.gz KLDBTJGMZAYKRX-JQWIXIFHSA-N 0 0 190.242 2.172 10 30 AEEERN Cc1cc(C[C@@H](C)C=O)ccc1O 238460870 573634651 /nfs/dbraw/zinc/63/46/51/573634651.db2.gz WJMZNBYXGTTZEM-MRVPVSSYSA-N 0 0 178.231 2.078 10 30 AEEERN Cc1ccc2c(c1)[C@H](CC=O)CO2 258073040 573634836 /nfs/dbraw/zinc/63/48/36/573634836.db2.gz MKLMELOKPXZRHL-SECBINFHSA-N 0 0 176.215 2.060 10 30 AEEERN N#Cc1cc2[nH]c3cccc(O)c3c2[nH]1 259535622 573634838 /nfs/dbraw/zinc/63/48/38/573634838.db2.gz CDSUQENBAZTJSZ-UHFFFAOYSA-N 0 0 197.197 2.226 10 30 AEEERN Cc1cc2c(s1)CC[C@H](C#N)[C@H]2O 75581404 573634951 /nfs/dbraw/zinc/63/49/51/573634951.db2.gz WDXLPHLSKDVEJC-GMSGAONNSA-N 0 0 193.271 2.176 10 30 AEEERN O=CC/C=C\Cc1cccs1 258073509 573635048 /nfs/dbraw/zinc/63/50/48/573635048.db2.gz FJMXJZGFNMTZQV-UPHRSURJSA-N 0 0 166.245 2.436 10 30 AEEERN Fc1ccc(CC[C@H]2CO2)cc1 107559402 573635057 /nfs/dbraw/zinc/63/50/57/573635057.db2.gz YWGFIRQGBKIWLB-JTQLQIEISA-N 0 0 166.195 2.157 10 30 AEEERN C[C@H](S)Cc1ccc(N)cc1 259535721 573636624 /nfs/dbraw/zinc/63/66/24/573636624.db2.gz BLIXAGCMUZUNCV-ZETCQYMHSA-N 0 0 167.277 2.130 10 30 AEEERN C=CCC[C@]1(C=O)C[C@H]1C 238466810 573636635 /nfs/dbraw/zinc/63/66/35/573636635.db2.gz ITQWILBZWWWXGT-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@]1(C)CCC[C@]1(C)CO 238479479 573636651 /nfs/dbraw/zinc/63/66/51/573636651.db2.gz RLURNJPOZDRONC-VHSXEESVSA-N 0 0 154.253 2.361 10 30 AEEERN C[C@@H]1CCCC[C@@](C)(C#N)C1=O 238460866 573636675 /nfs/dbraw/zinc/63/66/75/573636675.db2.gz JOXNCMJIHSOCJS-SCZZXKLOSA-N 0 0 165.236 2.295 10 30 AEEERN COc1ccc([C@@]2(C)C[C@H]2C=O)cc1 257834986 573635942 /nfs/dbraw/zinc/63/59/42/573635942.db2.gz KLDBTJGMZAYKRX-CMPLNLGQSA-N 0 0 190.242 2.172 10 30 AEEERN CCc1ncc2scc(CC#N)n12 259536306 573636137 /nfs/dbraw/zinc/63/61/37/573636137.db2.gz ZFSYYFHRKNYDQF-UHFFFAOYSA-N 0 0 191.259 2.024 10 30 AEEERN Cc1ccc(C)n2c(CC#N)cnc12 238461226 573636182 /nfs/dbraw/zinc/63/61/82/573636182.db2.gz HZUVFWLEMYQIIW-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN Cc1cc(C=O)c(C#N)c(C(F)F)n1 238460231 573636255 /nfs/dbraw/zinc/63/62/55/573636255.db2.gz UKDYOARMRJKWOE-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN COc1ccc2c(c1C#N)CCCC2 258072800 573636284 /nfs/dbraw/zinc/63/62/84/573636284.db2.gz MKEQPDHXQSGFBV-UHFFFAOYSA-N 0 0 187.242 2.446 10 30 AEEERN O=CCCc1ccccc1OC1CC1 258073012 573636292 /nfs/dbraw/zinc/63/62/92/573636292.db2.gz MNEYHECVECCNHQ-UHFFFAOYSA-N 0 0 190.242 2.359 10 30 AEEERN Cn1ccnc1[C@H](C#N)C(C)(C)C 259147062 573636336 /nfs/dbraw/zinc/63/63/36/573636336.db2.gz MSMBFRKUYRXMPV-QMMMGPOBSA-N 0 0 177.251 2.073 10 30 AEEERN C[C@H](OCc1ccccc1)[C@@H](C)C=O 75580925 573636415 /nfs/dbraw/zinc/63/64/15/573636415.db2.gz VQQHSISYNCIVGD-QWRGUYRKSA-N 0 0 192.258 2.427 10 30 AEEERN CC(=C/c1ccc[nH]1)/C(C)=N/O 96587137 573636474 /nfs/dbraw/zinc/63/64/74/573636474.db2.gz ZTGOYUAJASCRPL-BQGCWICQSA-N 0 0 164.208 2.268 10 30 AEEERN Cc1cc(C=O)c(C(F)F)c(C#N)n1 238460320 573637908 /nfs/dbraw/zinc/63/79/08/573637908.db2.gz XTRRTHMRIDALMF-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=C1C[C@]12CC[C@H](C)CC2=O 238461303 573637959 /nfs/dbraw/zinc/63/79/59/573637959.db2.gz GORJDENBXNDHPM-OIBJUYFYSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](C=O)Cc1ccc(O)c(Cl)c1 238460892 573637218 /nfs/dbraw/zinc/63/72/18/573637218.db2.gz FJUOGZIAYWVEII-SSDOTTSWSA-N 0 0 198.649 2.423 10 30 AEEERN COCC[C@@]1(C)CCC[C@H](CC#N)O1 308652068 573637246 /nfs/dbraw/zinc/63/72/46/573637246.db2.gz KUHQJIXANCXZSJ-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN CC(C)OCC(C)(C)CC=O 259617019 573637261 /nfs/dbraw/zinc/63/72/61/573637261.db2.gz DXSHRVDZBDGPIH-UHFFFAOYSA-N 0 0 158.241 2.027 10 30 AEEERN C=Cc1ccc(C#N)c(Cl)n1 209790479 573637353 /nfs/dbraw/zinc/63/73/53/573637353.db2.gz KPECNEFZZRZTRD-UHFFFAOYSA-N 0 0 164.595 2.250 10 30 AEEERN Cn1ccnc1[C@@H](C#N)C(C)(C)C 259147058 573637365 /nfs/dbraw/zinc/63/73/65/573637365.db2.gz MSMBFRKUYRXMPV-MRVPVSSYSA-N 0 0 177.251 2.073 10 30 AEEERN C[C@@H](CF)NCc1ccccc1C#N 308652173 573637393 /nfs/dbraw/zinc/63/73/93/573637393.db2.gz LIBAHZYEMSUENO-VIFPVBQESA-N 0 0 192.237 2.006 10 30 AEEERN CC(=O)C[C@@]1(C=O)CCCC[C@H]1C 238461089 573637449 /nfs/dbraw/zinc/63/74/49/573637449.db2.gz VLKSWRBFJFNALM-MWLCHTKSSA-N 0 0 182.263 2.361 10 30 AEEERN CCO[C@@H](C(=O)C=C(C)C)C1CC1 132160549 573637726 /nfs/dbraw/zinc/63/77/26/573637726.db2.gz CNIUDMANSNYNDE-LLVKDONJSA-N 0 0 182.263 2.337 10 30 AEEERN C[C@H](CCC#N)c1cccnc1 107547420 573637768 /nfs/dbraw/zinc/63/77/68/573637768.db2.gz BQZZEKFXMXRZQF-SECBINFHSA-N 0 0 160.220 2.489 10 30 AEEERN C[C@H]1CC(C)(C)CC(=O)[C@@H]1S 238460411 573637850 /nfs/dbraw/zinc/63/78/50/573637850.db2.gz IXLJYCWBPUGYKJ-POYBYMJQSA-N 0 0 172.293 2.310 10 30 AEEERN Cc1ccccc1C#CCF 238461844 573640115 /nfs/dbraw/zinc/64/01/15/573640115.db2.gz CLBBXVSCMPPNMZ-UHFFFAOYSA-N 0 0 148.180 2.316 10 30 AEEERN C[C@@H](C=O)Cc1cccc(Cl)c1O 238462028 573640123 /nfs/dbraw/zinc/64/01/23/573640123.db2.gz BSHUWWYPLLZPFY-SSDOTTSWSA-N 0 0 198.649 2.423 10 30 AEEERN CC(C)(C)c1csc(CC=O)n1 86828804 573640158 /nfs/dbraw/zinc/64/01/58/573640158.db2.gz ORDUXSBFDYXHRF-UHFFFAOYSA-N 0 0 183.276 2.182 10 30 AEEERN C[C@@H](C=O)Cc1cccc(F)c1C#N 238462074 573640194 /nfs/dbraw/zinc/64/01/94/573640194.db2.gz IWNSBGKRQCHIDW-MRVPVSSYSA-N 0 0 191.205 2.075 10 30 AEEERN COCC[C@@]1(C)CCC[C@@H](CC#N)O1 308652071 573640229 /nfs/dbraw/zinc/64/02/29/573640229.db2.gz KUHQJIXANCXZSJ-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN Cc1cc(-c2c(C)noc2C#N)ccn1 259538569 573640237 /nfs/dbraw/zinc/64/02/37/573640237.db2.gz USTNUYVIIZXMJD-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN N#Cc1cccnc1N[C@@H]1CC[C@@H]2C[C@@H]21 308873916 573640256 /nfs/dbraw/zinc/64/02/56/573640256.db2.gz MEBCHZHXCJICEP-DVVUODLYSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cccnc1N[C@@H]1CC[C@H]2C[C@H]21 308873919 573640286 /nfs/dbraw/zinc/64/02/86/573640286.db2.gz MEBCHZHXCJICEP-JMJZKYOTSA-N 0 0 199.257 2.164 10 30 AEEERN C[C@]1(C#N)CCc2ccccc21 83792027 573640452 /nfs/dbraw/zinc/64/04/52/573640452.db2.gz FHPSVQFMHWQFLM-LLVKDONJSA-N 0 0 157.216 2.414 10 30 AEEERN C[C@@]1(C#N)CCc2ccccc21 83792029 573640538 /nfs/dbraw/zinc/64/05/38/573640538.db2.gz FHPSVQFMHWQFLM-NSHDSACASA-N 0 0 157.216 2.414 10 30 AEEERN Fc1ccc(F)c(CC[C@@H]2CO2)c1 107606724 573640588 /nfs/dbraw/zinc/64/05/88/573640588.db2.gz VJVXUYNKTJBWBK-SECBINFHSA-N 0 0 184.185 2.296 10 30 AEEERN C=Cc1cnc(Cl)c(C#N)c1 209790395 573640596 /nfs/dbraw/zinc/64/05/96/573640596.db2.gz DSTHWHDPZGGENO-UHFFFAOYSA-N 0 0 164.595 2.250 10 30 AEEERN CCC(=O)CC#Cc1ccccc1 223211150 573640653 /nfs/dbraw/zinc/64/06/53/573640653.db2.gz WZPCQDNHFOTDGA-UHFFFAOYSA-N 0 0 172.227 2.407 10 30 AEEERN COc1cc(C#N)c(C(F)F)c(C)n1 238461923 573640685 /nfs/dbraw/zinc/64/06/85/573640685.db2.gz LQVFZAJLROFQRO-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCN(CC[C@@H]1CO1)c1ccccc1 308654704 573643595 /nfs/dbraw/zinc/64/35/95/573643595.db2.gz MSRCHDICVIZFNF-GFCCVEGCSA-N 0 0 191.274 2.302 10 30 AEEERN C=CC(=O)c1cccc(F)c1F 107767197 573643657 /nfs/dbraw/zinc/64/36/57/573643657.db2.gz NJPCRIVOWSNTPG-UHFFFAOYSA-N 0 0 168.142 2.334 10 30 AEEERN C=C(CO)[C@H](C)OCc1ccccc1 238462682 573642943 /nfs/dbraw/zinc/64/29/43/573642943.db2.gz ZYMCNIFXTLUQDF-NSHDSACASA-N 0 0 192.258 2.140 10 30 AEEERN CCN(CC[C@H]1CO1)c1ccccc1 308654705 573643006 /nfs/dbraw/zinc/64/30/06/573643006.db2.gz MSRCHDICVIZFNF-LBPRGKRZSA-N 0 0 191.274 2.302 10 30 AEEERN Cc1ncc(C(F)F)cc1CC#N 238464012 573643091 /nfs/dbraw/zinc/64/30/91/573643091.db2.gz QBLVWIZJSGBOMB-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN COc1ccc(NCS)cc1C 258830350 573643121 /nfs/dbraw/zinc/64/31/21/573643121.db2.gz BGNBTMLXROLWNU-UHFFFAOYSA-N 0 0 183.276 2.303 10 30 AEEERN N#C[C@H]1CCSC[C@@]12CCCOC2 259537258 573643194 /nfs/dbraw/zinc/64/31/94/573643194.db2.gz CGORFOGWMSQYMN-ZJUUUORDSA-N 0 0 197.303 2.060 10 30 AEEERN N#Cc1c(N)sc2ccc(F)cc12 307101871 573643202 /nfs/dbraw/zinc/64/32/02/573643202.db2.gz BATRCFFWZYVMAJ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN Cc1c(C=O)n(C)c2cc(C#N)ccc12 257838758 573643269 /nfs/dbraw/zinc/64/32/69/573643269.db2.gz JFIROYWPYZHUAA-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN N#C[C@H]1CCSC[C@]12CCCOC2 259537253 573643410 /nfs/dbraw/zinc/64/34/10/573643410.db2.gz CGORFOGWMSQYMN-NXEZZACHSA-N 0 0 197.303 2.060 10 30 AEEERN CC(=O)C1=C(C)C[C@H](C)C1 238463159 573643485 /nfs/dbraw/zinc/64/34/85/573643485.db2.gz QECMJYWPKODWDM-LURJTMIESA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)c1nnc([C@H](N)[C@@H](C)CC)o1 238295939 573647103 /nfs/dbraw/zinc/64/71/03/573647103.db2.gz YXWFGYDEUBCUDW-JGVFFNPUSA-N 0 0 195.266 2.149 10 30 AEEERN N#Cc1sncc1N1CCCCC1 259540532 573647179 /nfs/dbraw/zinc/64/71/79/573647179.db2.gz CMGFTGITZYDEDH-UHFFFAOYSA-N 0 0 193.275 2.005 10 30 AEEERN C=C[C@@](C)(C=O)c1ccoc1C 238464127 573647260 /nfs/dbraw/zinc/64/72/60/573647260.db2.gz WYZUYPXXTBWVGF-JTQLQIEISA-N 0 0 164.204 2.231 10 30 AEEERN C=CCC(C=C)(CO)CC=C 238690086 573647341 /nfs/dbraw/zinc/64/73/41/573647341.db2.gz OGTPRMMHEOKFSQ-UHFFFAOYSA-N 0 0 152.237 2.303 10 30 AEEERN C=CC[C@]1(C=O)CCC[C@H](C)C1=O 238464159 573647390 /nfs/dbraw/zinc/64/73/90/573647390.db2.gz PLBHYIRJCFHBRL-GXSJLCMTSA-N 0 0 180.247 2.137 10 30 AEEERN C#CCN(C)C(=O)C[C@@H](C)C(C)(C)C 130688620 573647457 /nfs/dbraw/zinc/64/74/57/573647457.db2.gz IFKNZYQBLGTVTM-SNVBAGLBSA-N 0 0 195.306 2.150 10 30 AEEERN C[C@@H](C=O)[C@H]1CCc2cc(O)ccc21 257840853 573647554 /nfs/dbraw/zinc/64/75/54/573647554.db2.gz MDUBIONRYAZGHC-GZMMTYOYSA-N 0 0 190.242 2.257 10 30 AEEERN N#C[C@@H]1CCS[C@@H]1c1cncs1 259540645 573647632 /nfs/dbraw/zinc/64/76/32/573647632.db2.gz CNASJQMQIVOKDV-XPUUQOCRSA-N 0 0 196.300 2.461 10 30 AEEERN CN(C)N=Cc1ccccc1Cl 263604777 573647741 /nfs/dbraw/zinc/64/77/41/573647741.db2.gz OZEYYXGFOJMLQY-UHFFFAOYSA-N 0 0 182.654 2.236 10 30 AEEERN CN[C@H](c1ccc(C)o1)C1(C#N)CC1 259539516 573647889 /nfs/dbraw/zinc/64/78/89/573647889.db2.gz VDNGRALNPKEOPX-SNVBAGLBSA-N 0 0 190.246 2.152 10 30 AEEERN C=C(C)[C@@H](O)[C@H](C)Nc1ccccc1 238466052 573648805 /nfs/dbraw/zinc/64/88/05/573648805.db2.gz RHLYZUDLPIWPAS-CMPLNLGQSA-N 0 0 191.274 2.424 10 30 AEEERN C[C@@H](C#N)CC1(CO)CCCCC1 238465879 573648917 /nfs/dbraw/zinc/64/89/17/573648917.db2.gz CGHNRYAJSKRXFF-SNVBAGLBSA-N 0 0 181.279 2.479 10 30 AEEERN C#CCN(C)C(=O)C[C@H](C)C(C)(C)C 130688409 573648967 /nfs/dbraw/zinc/64/89/67/573648967.db2.gz IFKNZYQBLGTVTM-JTQLQIEISA-N 0 0 195.306 2.150 10 30 AEEERN C[C@H]1[C@@H](C#N)C12CCCC2 259541324 573649089 /nfs/dbraw/zinc/64/90/89/573649089.db2.gz GHCUZANCSUNGPF-JGVFFNPUSA-N 0 0 135.210 2.336 10 30 AEEERN C[C@]1(C=O)CCCC2=C1SCCO2 238466382 573649119 /nfs/dbraw/zinc/64/91/19/573649119.db2.gz LIHREZYATWKTCE-SNVBAGLBSA-N 0 0 198.287 2.351 10 30 AEEERN C=C[C@@](C)(O)[C@H](C)Nc1ccccc1 238466165 573649127 /nfs/dbraw/zinc/64/91/27/573649127.db2.gz BSRODOHDMQMMQM-CMPLNLGQSA-N 0 0 191.274 2.424 10 30 AEEERN N#CCCc1cnc(-c2ccncc2)o1 259540262 573649136 /nfs/dbraw/zinc/64/91/36/573649136.db2.gz GGQWABUQZHZNAE-UHFFFAOYSA-N 0 0 199.213 2.193 10 30 AEEERN CC1C(=O)C[C@H](C)[C@@H](C)C1=O 238466108 573649156 /nfs/dbraw/zinc/64/91/56/573649156.db2.gz PKCDQQBGNAMOAZ-NTSWFWBYSA-N 0 0 154.209 2.063 10 30 AEEERN C[C@]1(c2ccc(F)cc2)C[C@@H]1C=O 238466443 573649222 /nfs/dbraw/zinc/64/92/22/573649222.db2.gz CGHHCBQKWMIUBE-MWLCHTKSSA-N 0 0 178.206 2.302 10 30 AEEERN COc1ccccc1[C@H]1CC[C@H]1C=O 257839781 573649238 /nfs/dbraw/zinc/64/92/38/573649238.db2.gz LSHLDBXRPWNFAF-UWVGGRQHSA-N 0 0 190.242 2.388 10 30 AEEERN CC1(C)CCCC[C@@]1(O)CC#N 86850543 573649288 /nfs/dbraw/zinc/64/92/88/573649288.db2.gz CUDGLGSSPDJSSS-SNVBAGLBSA-N 0 0 167.252 2.231 10 30 AEEERN CC1(C)CCCC[C@]1(O)CC#N 86850541 573649319 /nfs/dbraw/zinc/64/93/19/573649319.db2.gz CUDGLGSSPDJSSS-JTQLQIEISA-N 0 0 167.252 2.231 10 30 AEEERN C=CCCc1ccc(C)[nH]1 238465787 573651432 /nfs/dbraw/zinc/65/14/32/573651432.db2.gz YULLEOHODCPEKR-UHFFFAOYSA-N 0 0 135.210 2.442 10 30 AEEERN CN(C)[C@]1(C#N)CCCCC1(C)C 86849810 573651535 /nfs/dbraw/zinc/65/15/35/573651535.db2.gz RELQGRCECXQNJO-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CN(CC[C@@H]1CO1)c1cccc(F)c1 308655487 573651594 /nfs/dbraw/zinc/65/15/94/573651594.db2.gz NIZCIZCTBFGKKG-LLVKDONJSA-N 0 0 195.237 2.051 10 30 AEEERN C=C1CN(C(=O)OC(C)(C)C)C[C@@H]1C 238457705 573651772 /nfs/dbraw/zinc/65/17/72/573651772.db2.gz IVAHWWYRGUOLPT-VIFPVBQESA-N 0 0 197.278 2.429 10 30 AEEERN Cc1ccc(N(C)CCCS)o1 258844302 573651773 /nfs/dbraw/zinc/65/17/73/573651773.db2.gz IJHSTCVLSDFRIY-UHFFFAOYSA-N 0 0 185.292 2.344 10 30 AEEERN C[C@H](C#N)N(C)c1cccc(F)c1 258842241 573651801 /nfs/dbraw/zinc/65/18/01/573651801.db2.gz QYESDGQBJCQXDQ-MRVPVSSYSA-N 0 0 178.210 2.174 10 30 AEEERN CO[C@]1(C#N)CCCCC1(C)C 86850416 573651840 /nfs/dbraw/zinc/65/18/40/573651840.db2.gz IWGSVEXPDKSYOF-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN N#CCc1cnsc1-c1cc[nH]c1 259542365 573651968 /nfs/dbraw/zinc/65/19/68/573651968.db2.gz CQZWVFGNGKMKGM-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN C=C1CCCC[C@]1(C)C=O 238466418 573651973 /nfs/dbraw/zinc/65/19/73/573651973.db2.gz SAIQEOROBQCGJN-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@]12CCC[C@]13C=COC3=CC2=O 238465780 573651986 /nfs/dbraw/zinc/65/19/86/573651986.db2.gz WLMRJBMKJABTSA-WDEREUQCSA-N 0 0 176.215 2.174 10 30 AEEERN C[C@@H](C=O)[C@@H]1CCc2cc(O)ccc21 257840855 573652068 /nfs/dbraw/zinc/65/20/68/573652068.db2.gz MDUBIONRYAZGHC-KWQFWETISA-N 0 0 190.242 2.257 10 30 AEEERN N#Cc1c(O)ccc2scc(N)c12 307115363 573652144 /nfs/dbraw/zinc/65/21/44/573652144.db2.gz TYDIZMIBLYCYBG-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=C[C@](C)(O)c1cc(C)ccc1O 238457793 573652178 /nfs/dbraw/zinc/65/21/78/573652178.db2.gz MNSXLOVMDHYUAX-NSHDSACASA-N 0 0 178.231 2.094 10 30 AEEERN CN(CC[C@H]1CO1)c1cccc(F)c1 308655489 573652886 /nfs/dbraw/zinc/65/28/86/573652886.db2.gz NIZCIZCTBFGKKG-NSHDSACASA-N 0 0 195.237 2.051 10 30 AEEERN CSc1c(C#N)ccc2[nH]cnc12 307115505 573653584 /nfs/dbraw/zinc/65/35/84/573653584.db2.gz WFYMOQLBRIQHTR-UHFFFAOYSA-N 0 0 189.243 2.156 10 30 AEEERN CCc1cccc2oc(C#N)nc12 307111939 573653603 /nfs/dbraw/zinc/65/36/03/573653603.db2.gz OMFOHIHLHXCEKM-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C[C@@H](CC#N)C(C)(F)F 257841588 573652930 /nfs/dbraw/zinc/65/29/30/573652930.db2.gz OFNXDHYFBDACLE-YFKPBYRVSA-N 0 0 133.141 2.191 10 30 AEEERN C=CC[C@@H](O)c1cc(C)ccc1O 238458067 573653030 /nfs/dbraw/zinc/65/30/30/573653030.db2.gz JQZPJZZAGRZMIS-SNVBAGLBSA-N 0 0 178.231 2.310 10 30 AEEERN C#CCCCC(=O)[C@H](OCC)C1CC1 132180295 573653109 /nfs/dbraw/zinc/65/31/09/573653109.db2.gz WBNVFOKGERRFLP-GFCCVEGCSA-N 0 0 194.274 2.174 10 30 AEEERN C[C@@H]1SC[C@@H]2C[C@H](C#N)C[C@H]12 259542600 573653128 /nfs/dbraw/zinc/65/31/28/573653128.db2.gz GKUHKROKPBZVCD-XSPKLOCKSA-N 0 0 167.277 2.288 10 30 AEEERN CC(=O)C(=O)Cc1cccc(F)c1 258506384 573653255 /nfs/dbraw/zinc/65/32/55/573653255.db2.gz DVKFLBHOVABRPZ-POHAHGRESA-N 0 0 180.178 2.314 10 30 AEEERN C=C(C)c1ccc(F)cn1 96868792 573653326 /nfs/dbraw/zinc/65/33/26/573653326.db2.gz IXOBHFTYELDRER-UHFFFAOYSA-N 0 0 137.157 2.254 10 30 AEEERN CCN(C)c1cc(C)c(C#N)c(C)n1 307120401 573653399 /nfs/dbraw/zinc/65/33/99/573653399.db2.gz ILMFOLWGIHKSGH-UHFFFAOYSA-N 0 0 189.262 2.026 10 30 AEEERN N#Cc1sc2c(N)cccc2c1F 307119838 573653523 /nfs/dbraw/zinc/65/35/23/573653523.db2.gz HKCPXSBKNGNMCV-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CCO[C@](C)(C=O)CC1CCC1 258508523 573654829 /nfs/dbraw/zinc/65/48/29/573654829.db2.gz LBOVCKWICFFEHH-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C[C@H](CC#N)C(C)(F)F 257841586 573654866 /nfs/dbraw/zinc/65/48/66/573654866.db2.gz OFNXDHYFBDACLE-RXMQYKEDSA-N 0 0 133.141 2.191 10 30 AEEERN C=CC[C@]1(C)C(=O)CCC[C@@H]1C#N 238471233 573654890 /nfs/dbraw/zinc/65/48/90/573654890.db2.gz XUGZMEDEAXJYGE-KOLCDFICSA-N 0 0 177.247 2.462 10 30 AEEERN N#C[C@@H]1CC[C@H]2SCC[C@@H]2C1 259542656 573654920 /nfs/dbraw/zinc/65/49/20/573654920.db2.gz GLKRQELVGMBATB-IWSPIJDZSA-N 0 0 167.277 2.432 10 30 AEEERN COc1c(CC#N)cc(C)c(C)c1O 258083444 573655026 /nfs/dbraw/zinc/65/50/26/573655026.db2.gz NKYVCVGRGGRJFY-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN NN=Cc1cscc1C(F)(F)F 388467608 573655102 /nfs/dbraw/zinc/65/51/02/573655102.db2.gz KKQXVNCKOUAOED-UHFFFAOYSA-N 0 0 194.181 2.060 10 30 AEEERN CC(=O)/C=C\c1ccoc1C 321004764 573655180 /nfs/dbraw/zinc/65/51/80/573655180.db2.gz SQLFANBEDQPTRW-ARJAWSKDSA-N 0 0 150.177 2.190 10 30 AEEERN C[C@@H](Nc1cccnc1C#N)C(F)F 307112341 573655200 /nfs/dbraw/zinc/65/52/00/573655200.db2.gz LZPWLKFIPVIYAY-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN C[C@@H]1SC[C@@H]2C[C@@H](C#N)C[C@@H]12 259542592 573655289 /nfs/dbraw/zinc/65/52/89/573655289.db2.gz GKUHKROKPBZVCD-KZVJFYERSA-N 0 0 167.277 2.288 10 30 AEEERN CC1=C([C@@H]2C[C@H]2C)CCC1=O 238458249 573655299 /nfs/dbraw/zinc/65/52/99/573655299.db2.gz DDLOOVDWEUJCAV-HZGVNTEJSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](CC=O)c1ccccc1N(C)C 258083315 573655386 /nfs/dbraw/zinc/65/53/86/573655386.db2.gz NHWVTFLWCYFPGK-JTQLQIEISA-N 0 0 191.274 2.445 10 30 AEEERN C[C@H]1CC=C[C@@H](CC=O)C1 238471255 573655408 /nfs/dbraw/zinc/65/54/08/573655408.db2.gz AGCXLBLPLLNIFE-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN CCc1c(-c2ccco2)n[nH]c1C#N 259542821 573655430 /nfs/dbraw/zinc/65/54/30/573655430.db2.gz ZSNAQTUURZUMNL-UHFFFAOYSA-N 0 0 187.202 2.104 10 30 AEEERN Cc1cccc2ccn(CC#N)c12 107838072 573657135 /nfs/dbraw/zinc/65/71/35/573657135.db2.gz BBHULMZOCKBHLY-UHFFFAOYSA-N 0 0 170.215 2.473 10 30 AEEERN COc1ccccc1C/C=C\CC=O 258080835 573657148 /nfs/dbraw/zinc/65/71/48/573657148.db2.gz FUNMVILBSFWNTH-IHWYPQMZSA-N 0 0 190.242 2.383 10 30 AEEERN C=C[C@H](C)NC(=O)Oc1ccccc1 130694989 573657236 /nfs/dbraw/zinc/65/72/36/573657236.db2.gz IAJOXSIBUXGATJ-VIFPVBQESA-N 0 0 191.230 2.350 10 30 AEEERN CC1(C)CCc2sc(CC#N)nc21 86857566 573657261 /nfs/dbraw/zinc/65/72/61/573657261.db2.gz AZSAUORBSGINBG-UHFFFAOYSA-N 0 0 192.287 2.433 10 30 AEEERN CC(C)c1oc(C#N)c2ncncc12 259543106 573657387 /nfs/dbraw/zinc/65/73/87/573657387.db2.gz VGMVCBPTQZWMCR-UHFFFAOYSA-N 0 0 187.202 2.218 10 30 AEEERN Cc1c[nH]c2ccc(CC=O)cc12 258081840 573657821 /nfs/dbraw/zinc/65/78/21/573657821.db2.gz MWPFVSXOZIYHBJ-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C[C@H]1OCC[C@@H]1SCCCS 235626755 573657855 /nfs/dbraw/zinc/65/78/55/573657855.db2.gz SLMYEUCWRFZITP-SFYZADRCSA-N 0 0 192.349 2.217 10 30 AEEERN C=C(CO)Cc1ccccc1Cl 258080844 573658166 /nfs/dbraw/zinc/65/81/66/573658166.db2.gz FUTKOKNLLQCWHY-UHFFFAOYSA-N 0 0 182.650 2.431 10 30 AEEERN CC(C)(C#N)Nc1cccc(C#N)c1 258849276 573658179 /nfs/dbraw/zinc/65/81/79/573658179.db2.gz BDEZLMVLJQSKMU-UHFFFAOYSA-N 0 0 185.230 2.272 10 30 AEEERN N#CCC1C=CC=CC=C1 144520186 573658267 /nfs/dbraw/zinc/65/82/67/573658267.db2.gz OBKBBRQOGQFBOE-UHFFFAOYSA-N 0 0 131.178 2.198 10 30 AEEERN CCCN[C@]1(C#N)CCCC1(C)C 86866008 573658300 /nfs/dbraw/zinc/65/83/00/573658300.db2.gz SHMNACYJQPGAET-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN C=C(CC=O)[C@@H]1CCCCS1 258083590 573658329 /nfs/dbraw/zinc/65/83/29/573658329.db2.gz GBAYLSANBSOWCW-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN CCN[C@@]1(C#N)CCCC1(C)C 86866007 573658333 /nfs/dbraw/zinc/65/83/33/573658333.db2.gz ZQQFCRKWBZRKOG-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN C#CCN(CC=C)c1cccc(C#N)c1 308815157 573658335 /nfs/dbraw/zinc/65/83/35/573658335.db2.gz IHPAMCCKWZZNRF-UHFFFAOYSA-N 0 0 196.253 2.184 10 30 AEEERN Cc1cccc2c1[C@H](CC#N)NCC2 75640087 573658611 /nfs/dbraw/zinc/65/86/11/573658611.db2.gz YCBNWXSPFXWNCZ-NSHDSACASA-N 0 0 186.258 2.096 10 30 AEEERN N#CC1CCC(c2ncns2)CC1 259544134 573658618 /nfs/dbraw/zinc/65/86/18/573658618.db2.gz CTPSMNOVLPVQEK-UHFFFAOYSA-N 0 0 193.275 2.335 10 30 AEEERN COc1cccc2ccn(CC#N)c12 107838029 573658809 /nfs/dbraw/zinc/65/88/09/573658809.db2.gz UPNFRRWYHVGVFS-UHFFFAOYSA-N 0 0 186.214 2.173 10 30 AEEERN C[C@]1(CCC#N)CCCC(=O)C1 238472065 573658810 /nfs/dbraw/zinc/65/88/10/573658810.db2.gz REMNQDHPTLIOSF-SNVBAGLBSA-N 0 0 165.236 2.440 10 30 AEEERN COc1c(F)ccc(C)c1C#N 258082376 573658839 /nfs/dbraw/zinc/65/88/39/573658839.db2.gz VUGNJKGPXXWBHQ-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN CN(CCC#N)c1cccs1 258853466 573659039 /nfs/dbraw/zinc/65/90/39/573659039.db2.gz DTSMOWQUFFNGEA-UHFFFAOYSA-N 0 0 166.249 2.098 10 30 AEEERN Cc1ccc2c(c1)CCN[C@H]2CC#N 75640095 573659158 /nfs/dbraw/zinc/65/91/58/573659158.db2.gz AMSUOWYGABUMNE-LBPRGKRZSA-N 0 0 186.258 2.096 10 30 AEEERN COc1ccccc1CN(C)CS 258853469 573659212 /nfs/dbraw/zinc/65/92/12/573659212.db2.gz DTSSAOYKTSFIRD-UHFFFAOYSA-N 0 0 197.303 2.014 10 30 AEEERN Cc1ccccc1CCC(=O)C#N 259544677 573659263 /nfs/dbraw/zinc/65/92/63/573659263.db2.gz BBVMUQUZWPXZST-UHFFFAOYSA-N 0 0 173.215 2.020 10 30 AEEERN C[C@]1(CCC#N)CCCC[C@H]1O 238472212 573659283 /nfs/dbraw/zinc/65/92/83/573659283.db2.gz ZLKYXFUDJTWBAV-NXEZZACHSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@]1(c2cccc(O)c2)C[C@@H]1C=O 257843346 573659350 /nfs/dbraw/zinc/65/93/50/573659350.db2.gz MXRFIPJAPMEUMG-PWSUYJOCSA-N 0 0 190.242 2.259 10 30 AEEERN CC(C)(C#N)NCCC1CCCC1 258851979 573659534 /nfs/dbraw/zinc/65/95/34/573659534.db2.gz SBHAUPODOJNIMP-UHFFFAOYSA-N 0 0 180.295 2.458 10 30 AEEERN C/C(=C/[C@H](C)O)c1cccc(C#N)c1 235535417 573659595 /nfs/dbraw/zinc/65/95/95/573659595.db2.gz UKTXUWZEZJUYSL-MBACFSSFSA-N 0 0 187.242 2.342 10 30 AEEERN N#CC[C@@H]1CC[NH2+][C@H](c2ccco2)C1 259544280 573662816 /nfs/dbraw/zinc/66/28/16/573662816.db2.gz CVWZLWQMDBKOJD-ZJUUUORDSA-N 0 0 190.246 2.234 10 30 AEEERN N#CC[C@H]1CC[NH2+][C@@H](c2ccco2)C1 259544277 573662856 /nfs/dbraw/zinc/66/28/56/573662856.db2.gz CVWZLWQMDBKOJD-VHSXEESVSA-N 0 0 190.246 2.234 10 30 AEEERN N#C[C@H](CF)C1CCCC1 258509344 573662871 /nfs/dbraw/zinc/66/28/71/573662871.db2.gz LFIKIXKXCBOFAT-QMMMGPOBSA-N 0 0 141.189 2.286 10 30 AEEERN C[C@]1(CCC#N)CCCC[C@@H]1O 238472181 573663090 /nfs/dbraw/zinc/66/30/90/573663090.db2.gz ZLKYXFUDJTWBAV-VHSXEESVSA-N 0 0 167.252 2.231 10 30 AEEERN N#C[C@@H](CF)C1CCCC1 258509339 573663128 /nfs/dbraw/zinc/66/31/28/573663128.db2.gz LFIKIXKXCBOFAT-MRVPVSSYSA-N 0 0 141.189 2.286 10 30 AEEERN N#CC[C@@H]1CC[NH2+][C@@H](c2ccco2)C1 259544271 573663205 /nfs/dbraw/zinc/66/32/05/573663205.db2.gz CVWZLWQMDBKOJD-NXEZZACHSA-N 0 0 190.246 2.234 10 30 AEEERN Cc1cc(N(C)CCC#N)ccc1F 258855779 573663318 /nfs/dbraw/zinc/66/33/18/573663318.db2.gz FAKGZRWBTBJYKA-UHFFFAOYSA-N 0 0 192.237 2.484 10 30 AEEERN CCCCC(C)=NO[C@H]1CCOC1 308416498 573663476 /nfs/dbraw/zinc/66/34/76/573663476.db2.gz NJUPOKVGXUQZDH-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN CC[C@@H](C#N)[C@@]1(O)CCCC1(C)C 86870148 573663498 /nfs/dbraw/zinc/66/34/98/573663498.db2.gz NAWNXEZUYSVVNL-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](C#N)[C@]1(O)CCCC1(C)C 86870144 573665115 /nfs/dbraw/zinc/66/51/15/573665115.db2.gz NAWNXEZUYSVVNL-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CCOC=C(CC)C(=O)C(F)F 686248412 573665224 /nfs/dbraw/zinc/66/52/24/573665224.db2.gz LBOXRQZQZFPOQP-WAYWQWQTSA-N 0 0 178.178 2.151 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCCC1(C)C 86870093 573665226 /nfs/dbraw/zinc/66/52/26/573665226.db2.gz ZJOZDRDMFSFPQB-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN N#C[C@@H]1Cc2ccccc2C12CC2 259546499 573665474 /nfs/dbraw/zinc/66/54/74/573665474.db2.gz BFOVDLKAUIVKKI-JTQLQIEISA-N 0 0 169.227 2.414 10 30 AEEERN CC1(C)CCC[C@H]1C=O 86869220 573665512 /nfs/dbraw/zinc/66/55/12/573665512.db2.gz OFIMQRAIALKYKY-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN CC[C@H](CC#N)C(=O)c1ccncc1 43368458 573665524 /nfs/dbraw/zinc/66/55/24/573665524.db2.gz UJEOULUEEVPNMN-SECBINFHSA-N 0 0 188.230 2.204 10 30 AEEERN Cc1ccnc2c(O)cc(C#N)cc12 238475330 573665559 /nfs/dbraw/zinc/66/55/59/573665559.db2.gz YYVYZYVQQNYKKT-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN O=CCCc1ccc(CCF)cc1 258084508 573665604 /nfs/dbraw/zinc/66/56/04/573665604.db2.gz WBTOFVHDIKHWSA-UHFFFAOYSA-N 0 0 180.222 2.330 10 30 AEEERN C[C@@H]1[C@H](C#N)[C@H]1c1cccc(O)c1 259545875 573667592 /nfs/dbraw/zinc/66/75/92/573667592.db2.gz GUUNFQBRSICHCS-PPKCKEKNSA-N 0 0 173.215 2.265 10 30 AEEERN CC[C@@]1(C#N)CCC(C)(C)C1=O 86870417 573667660 /nfs/dbraw/zinc/66/76/60/573667660.db2.gz BQEAVIGFDPCIMO-JTQLQIEISA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCCC1(C)C 86870146 573667135 /nfs/dbraw/zinc/66/71/35/573667135.db2.gz NAWNXEZUYSVVNL-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN O=CCNc1ccc(Cl)s1 258861029 573667157 /nfs/dbraw/zinc/66/71/57/573667157.db2.gz JZWZEGLDIRDVPR-UHFFFAOYSA-N 0 0 175.640 2.012 10 30 AEEERN CC1=C(C)C(=O)C(=C2CCCC2)N1 238475143 573667158 /nfs/dbraw/zinc/66/71/58/573667158.db2.gz RKDGMCSEVQAUGZ-UHFFFAOYSA-N 0 0 177.247 2.281 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C\C(C)C 308416310 573667181 /nfs/dbraw/zinc/66/71/81/573667181.db2.gz NGLJLLKRQOYBCB-DMEOUFDRSA-N 0 0 180.247 2.154 10 30 AEEERN C=CC[C@]1(C=O)C[C@@H](C)CCC1=O 238476402 573667255 /nfs/dbraw/zinc/66/72/55/573667255.db2.gz FULVGIFSTJFSSO-GXSJLCMTSA-N 0 0 180.247 2.137 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCCC1(C)C 86870095 573667289 /nfs/dbraw/zinc/66/72/89/573667289.db2.gz ZJOZDRDMFSFPQB-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCCC1(C)C 86870150 573667321 /nfs/dbraw/zinc/66/73/21/573667321.db2.gz NAWNXEZUYSVVNL-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@@H](CO)CS)cc1 238474290 573667387 /nfs/dbraw/zinc/66/73/87/573667387.db2.gz NDIDTNBJVFYARP-JTQLQIEISA-N 0 0 182.288 2.001 10 30 AEEERN CO[C@](C)(C=O)CCc1ccccc1 257843889 573667391 /nfs/dbraw/zinc/66/73/91/573667391.db2.gz MZNXAPMVRLUSQP-LBPRGKRZSA-N 0 0 192.258 2.223 10 30 AEEERN C[C@H](CC=O)c1ccc2c(c1)OCC2 258075631 573667434 /nfs/dbraw/zinc/66/74/34/573667434.db2.gz MODFWDHDTKWNDN-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN CC[C@]1(C#N)CCC(C)(C)C1=O 86870416 573667493 /nfs/dbraw/zinc/66/74/93/573667493.db2.gz BQEAVIGFDPCIMO-SNVBAGLBSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C)[C@@H](NCC#N)c1ccco1 308667054 573667795 /nfs/dbraw/zinc/66/77/95/573667795.db2.gz SYUZOQOMEYHCMY-JTQLQIEISA-N 0 0 192.262 2.480 10 30 AEEERN COc1cc(OC)c(CF)cc1C#N 258075773 573667851 /nfs/dbraw/zinc/66/78/51/573667851.db2.gz MTBCAYMEDQXTDK-UHFFFAOYSA-N 0 0 195.193 2.045 10 30 AEEERN CC(C)[C@H](CC#N)Cc1nccn1C 259546332 573667984 /nfs/dbraw/zinc/66/79/84/573667984.db2.gz CYTNBPJNOGDMPW-SNVBAGLBSA-N 0 0 191.278 2.148 10 30 AEEERN C[C@H](O)c1c[nH]c2ccc(C#N)cc12 235543181 573668015 /nfs/dbraw/zinc/66/80/15/573668015.db2.gz UOZTURWYNZHPKX-ZETCQYMHSA-N 0 0 186.214 2.093 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCCC1(C)C 86870097 573668063 /nfs/dbraw/zinc/66/80/63/573668063.db2.gz ZJOZDRDMFSFPQB-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN N#C[C@H]1Cc2ccccc2C12CC2 259546500 573668131 /nfs/dbraw/zinc/66/81/31/573668131.db2.gz BFOVDLKAUIVKKI-SNVBAGLBSA-N 0 0 169.227 2.414 10 30 AEEERN CO/N=C/CNc1c(C)cccc1C 144557031 573668142 /nfs/dbraw/zinc/66/81/42/573668142.db2.gz HQFQBHNNYPMQEE-MDWZMJQESA-N 0 0 192.262 2.348 10 30 AEEERN CN(C)[C@]1(C#N)CCCC1(C)C 86867629 573668184 /nfs/dbraw/zinc/66/81/84/573668184.db2.gz WWHDGWFIWAVBGN-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN Cc1ccc2[nH]c(C(=O)C#N)c(C)c2c1 259546248 573668215 /nfs/dbraw/zinc/66/82/15/573668215.db2.gz CXJPSILASOVIMZ-UHFFFAOYSA-N 0 0 198.225 2.491 10 30 AEEERN CCO[C@]1(C#N)CCCC1(C)C 86869975 573668278 /nfs/dbraw/zinc/66/82/78/573668278.db2.gz ABGQLMBUOCVRCB-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C/C(C)C 308416313 573668293 /nfs/dbraw/zinc/66/82/93/573668293.db2.gz NGLJLLKRQOYBCB-JARNTUPDSA-N 0 0 180.247 2.154 10 30 AEEERN CCc1cc(C2CC2)n(O)c1C#N 259545121 573668319 /nfs/dbraw/zinc/66/83/19/573668319.db2.gz BEIGSPFFXDBPDI-UHFFFAOYSA-N 0 0 176.219 2.037 10 30 AEEERN C=CCc1cc(C)[nH]c1C 238474301 573668320 /nfs/dbraw/zinc/66/83/20/573668320.db2.gz ORXDHLHMSVNMSX-UHFFFAOYSA-N 0 0 135.210 2.360 10 30 AEEERN CC(C)(S)Cc1ccccn1 258859272 573668339 /nfs/dbraw/zinc/66/83/39/573668339.db2.gz RBSJDBRVMRBFBX-UHFFFAOYSA-N 0 0 167.277 2.333 10 30 AEEERN CN(CC=O)c1ccc2ccccc2c1 258863166 573668444 /nfs/dbraw/zinc/66/84/44/573668444.db2.gz KEUAOFWHLIRAPU-UHFFFAOYSA-N 0 0 199.253 2.475 10 30 AEEERN C[C@@](C#N)(CC#N)c1ccc(O)cc1 238476116 573668524 /nfs/dbraw/zinc/66/85/24/573668524.db2.gz VUWOGESINJCDJD-NSHDSACASA-N 0 0 186.214 2.087 10 30 AEEERN Fc1ccc(NCS)cc1F 258855821 573668539 /nfs/dbraw/zinc/66/85/39/573668539.db2.gz FBJSJCGHIXIBNK-UHFFFAOYSA-N 0 0 175.203 2.264 10 30 AEEERN C[C@H]1CCCC[C@@H]1C=NO 394972206 573675672 /nfs/dbraw/zinc/67/56/72/573675672.db2.gz YQNHEVAJQRENEX-JGVFFNPUSA-N 0 0 141.214 2.273 10 30 AEEERN CC[C@H](C#N)[C@H](NC)c1ccccc1 238300188 573675707 /nfs/dbraw/zinc/67/57/07/573675707.db2.gz ZMFAVLRJRZFITH-PWSUYJOCSA-N 0 0 188.274 2.497 10 30 AEEERN CC(C)C[C@@H](C#N)C(=O)[C@H]1C[C@@H]1C 43374847 573675728 /nfs/dbraw/zinc/67/57/28/573675728.db2.gz LGQFUMRSAGLCEW-GUBZILKMSA-N 0 0 179.263 2.397 10 30 AEEERN C[C@@H]1CCCC[C@@H]1C=NO 394972202 573675782 /nfs/dbraw/zinc/67/57/82/573675782.db2.gz YQNHEVAJQRENEX-HTQZYQBOSA-N 0 0 141.214 2.273 10 30 AEEERN C=CC[C@@H](C)C(C)(C)CO 238467635 573675845 /nfs/dbraw/zinc/67/58/45/573675845.db2.gz JULLBVJMOPFSBC-MRVPVSSYSA-N 0 0 142.242 2.217 10 30 AEEERN CC1=CC[C@H](C)C(C(=O)C#N)=C1C 238468181 573675851 /nfs/dbraw/zinc/67/58/51/573675851.db2.gz DAGSBBOWMLKMCZ-GZMMTYOYSA-N 0 0 175.231 2.238 10 30 AEEERN CC1=C[C@@]2(C)[C@@H](C)[C@@]2(C)C1=O 238467751 573675995 /nfs/dbraw/zinc/67/59/95/573675995.db2.gz SVSSZNLFXBKLDA-JEZHCXPESA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)(C#N)c1nc(C2CCC2)c[nH]1 259155088 573676036 /nfs/dbraw/zinc/67/60/36/573676036.db2.gz TVEICDYASMBSGR-UHFFFAOYSA-N 0 0 189.262 2.478 10 30 AEEERN CC1=CC[C@H](C)C(C(=O)C#N)=C1C 238468192 573676069 /nfs/dbraw/zinc/67/60/69/573676069.db2.gz DAGSBBOWMLKMCZ-KWQFWETISA-N 0 0 175.231 2.238 10 30 AEEERN C[C@H](F)c1ccc(O)c(C#N)c1 258078474 573676097 /nfs/dbraw/zinc/67/60/97/573676097.db2.gz VJECJKGGHOBEEH-LURJTMIESA-N 0 0 165.167 2.294 10 30 AEEERN CC1(C)C[C@@]1(C#N)c1ccco1 259550070 573678537 /nfs/dbraw/zinc/67/85/37/573678537.db2.gz HFAPVKJSPBQBRX-SNVBAGLBSA-N 0 0 161.204 2.471 10 30 AEEERN Cc1sc(C#N)nc1C(F)(F)F 238469765 573678629 /nfs/dbraw/zinc/67/86/29/573678629.db2.gz CRRBLGFBKSWBQQ-UHFFFAOYSA-N 0 0 192.165 2.342 10 30 AEEERN N#CCC1(c2cscn2)CC1 259550749 573678726 /nfs/dbraw/zinc/67/87/26/573678726.db2.gz BQHQPXDWDGZXPP-UHFFFAOYSA-N 0 0 164.233 2.088 10 30 AEEERN Cc1cc(=O)c(CC#N)c(C(F)F)[nH]1 238469133 573678810 /nfs/dbraw/zinc/67/88/10/573678810.db2.gz AHBMBQZJTREXQV-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C1C(=O)[C@@H](C)[C@H]2C[C@@H]1C2(C)C 238469267 573678919 /nfs/dbraw/zinc/67/89/19/573678919.db2.gz RZNAKUUCNJACII-XHNCKOQMSA-N 0 0 164.248 2.424 10 30 AEEERN C/C(=C/CO)[C@H]1C=CCC[C@]1(C)C=O 238468704 573679000 /nfs/dbraw/zinc/67/90/00/573679000.db2.gz GSHLICLSMSYYFH-CIYHXPSUSA-N 0 0 194.274 2.096 10 30 AEEERN C[C@H]1CC=C(Cl)C(=O)C1 238468971 573679054 /nfs/dbraw/zinc/67/90/54/573679054.db2.gz FYOZCLDSJIHWND-YFKPBYRVSA-N 0 0 144.601 2.108 10 30 AEEERN COc1ccc([C@@H](C)CC=O)c(O)c1 258090747 573679090 /nfs/dbraw/zinc/67/90/90/573679090.db2.gz NYKCCIRSWOFDIM-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN N#C[C@H]1CCCc2nc(C3CC3)[nH]c21 259550767 573679108 /nfs/dbraw/zinc/67/91/08/573679108.db2.gz CWMAOQIAUDLXMT-MRVPVSSYSA-N 0 0 187.246 2.231 10 30 AEEERN N#Cc1cc(-c2cccc(O)c2)ccn1 258091366 573679262 /nfs/dbraw/zinc/67/92/62/573679262.db2.gz NCGIXTJNDSAQBM-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN N#CC[C@@]12CCCN1Cc1ccccc12 214945852 573681434 /nfs/dbraw/zinc/68/14/34/573681434.db2.gz GXSLGRREMVRLQG-CYBMUJFWSA-N 0 0 198.269 2.405 10 30 AEEERN CC1=CC[C@@](O)([C@H](C)CC=O)CC1 238469916 573681463 /nfs/dbraw/zinc/68/14/63/573681463.db2.gz ZQGPEJJXSJTEJL-MNOVXSKESA-N 0 0 182.263 2.073 10 30 AEEERN C[C@]1(c2ccccc2)C[C@H]1C=O 238468834 573681507 /nfs/dbraw/zinc/68/15/07/573681507.db2.gz YLWGQJQQDLGSLU-WDEREUQCSA-N 0 0 160.216 2.163 10 30 AEEERN Cc1cc(O)c(CC#N)nc1C(F)F 238469155 573681559 /nfs/dbraw/zinc/68/15/59/573681559.db2.gz WYUGFVVEFAKHMY-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1cc(N(C)[C@@H](C)C#N)ccc1F 258877446 573681700 /nfs/dbraw/zinc/68/17/00/573681700.db2.gz VEIRFJQCRYBGIN-VIFPVBQESA-N 0 0 192.237 2.482 10 30 AEEERN C[C@H](S)C(=O)c1cccs1 238469937 573681743 /nfs/dbraw/zinc/68/17/43/573681743.db2.gz SJYAFMCERRVITR-YFKPBYRVSA-N 0 0 172.274 2.249 10 30 AEEERN C[C@H](CC=O)[C@@]1(C)CCCCC1=O 238469864 573681766 /nfs/dbraw/zinc/68/17/66/573681766.db2.gz MPZUUHDHAWEVPQ-MWLCHTKSSA-N 0 0 182.263 2.361 10 30 AEEERN COc1ccc2c(c1C#N)CCC2 258080317 573681892 /nfs/dbraw/zinc/68/18/92/573681892.db2.gz VLDUFSSVJNHGKE-UHFFFAOYSA-N 0 0 173.215 2.056 10 30 AEEERN Cc1cc(CC#N)c(=O)[nH]c1C(F)F 238469871 573681899 /nfs/dbraw/zinc/68/18/99/573681899.db2.gz GLFOHCBKZILRRC-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1ccccc1[C@H](N)C1(C#N)CC1 259156992 573681923 /nfs/dbraw/zinc/68/19/23/573681923.db2.gz BTQBZTOIIHEQEE-NSHDSACASA-N 0 0 186.258 2.299 10 30 AEEERN CC1(C)/C(=C/CO)CC[C@H]1CC#N 197449659 573681965 /nfs/dbraw/zinc/68/19/65/573681965.db2.gz APGBPAPDAXUQSV-CMWXKVOJSA-N 0 0 179.263 2.255 10 30 AEEERN C[C@H]1CC=CC[C@@H]1CC=O 238469764 573681969 /nfs/dbraw/zinc/68/19/69/573681969.db2.gz OVISGLGXVROIRW-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H](O)[C@@H]1CC=CC[C@@H]1C 238470846 573685452 /nfs/dbraw/zinc/68/54/52/573685452.db2.gz ZDNUOCQSOKZOHA-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN C=CCC1(C)C(=O)CCCC1=O 238470168 573685528 /nfs/dbraw/zinc/68/55/28/573685528.db2.gz DMFYEFMKTAIDNC-JTQLQIEISA-N 0 0 166.220 2.374 10 30 AEEERN C[C@H](CC=O)c1ccccc1C#N 238470604 573685542 /nfs/dbraw/zinc/68/55/42/573685542.db2.gz UUVGTYOWSMGJIP-SECBINFHSA-N 0 0 173.215 2.251 10 30 AEEERN N#C[C@@H]1NCCc2c1oc1ccccc21 259556591 573685612 /nfs/dbraw/zinc/68/56/12/573685612.db2.gz DTVVQGMZEWIVEN-JTQLQIEISA-N 0 0 198.225 2.143 10 30 AEEERN CCC#CC1=C(CC)CCC1=O 223231974 573685617 /nfs/dbraw/zinc/68/56/17/573685617.db2.gz UPNJSEYYLXWKSZ-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN N#CC[C@H]1CCNc2ccc(O)cc21 259555937 573685659 /nfs/dbraw/zinc/68/56/59/573685659.db2.gz DONUDFJYEIXBEW-QMMMGPOBSA-N 0 0 188.230 2.205 10 30 AEEERN CC1=CC[C@](O)([C@H](C)CC=O)CC1 238470335 573685864 /nfs/dbraw/zinc/68/58/64/573685864.db2.gz ZQGPEJJXSJTEJL-GHMZBOCLSA-N 0 0 182.263 2.073 10 30 AEEERN C=CC[C@@]1(C)CCCC(=O)C[C@@H]1O 238470607 573685879 /nfs/dbraw/zinc/68/58/79/573685879.db2.gz JADAHBFBLCSVNH-QWRGUYRKSA-N 0 0 182.263 2.073 10 30 AEEERN Cc1cc(CC#N)cc(C(F)F)n1 238470005 573685954 /nfs/dbraw/zinc/68/59/54/573685954.db2.gz CBZNUSSOFYRSEQ-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=CC[C@@]1(C)CCC=C[C@@H]1O 238470503 573686052 /nfs/dbraw/zinc/68/60/52/573686052.db2.gz VSTNAOMIMQSCBQ-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C/C=C(/NCc1ccccc1)C(C)=O 237987641 573687838 /nfs/dbraw/zinc/68/78/38/573687838.db2.gz IUDWYBGDPHXTFG-KGVSQERTSA-N 0 0 189.258 2.269 10 30 AEEERN CCC[C@@H](C)c1nc(C#N)c(N)o1 85017122 573687857 /nfs/dbraw/zinc/68/78/57/573687857.db2.gz PKTHHKMCAQVUBU-ZCFIWIBFSA-N 0 0 179.223 2.032 10 30 AEEERN CCC[C@H](C)c1nc(C#N)c(N)o1 85017124 573687293 /nfs/dbraw/zinc/68/72/93/573687293.db2.gz PKTHHKMCAQVUBU-LURJTMIESA-N 0 0 179.223 2.032 10 30 AEEERN N#Cc1cncc(C2CCCCC2)n1 259555895 573687360 /nfs/dbraw/zinc/68/73/60/573687360.db2.gz DNHLRMPCZHDVQR-UHFFFAOYSA-N 0 0 187.246 2.396 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@@H](C#N)N1CCCCC1 714730174 573687364 /nfs/dbraw/zinc/68/73/64/573687364.db2.gz NBAQOUICRDMVRS-UTUOFQBUSA-N 0 0 192.306 2.411 10 30 AEEERN COc1ccc(F)cc1[C@H]1C[C@@H]1C#N 259158157 573687576 /nfs/dbraw/zinc/68/75/76/573687576.db2.gz NMWNMMYHEIKYEF-APPZFPTMSA-N 0 0 191.205 2.461 10 30 AEEERN CC(=O)CCC[C@H]1O[C@@H]1C(C)C 214948710 573687592 /nfs/dbraw/zinc/68/75/92/573687592.db2.gz IRCRWGGUBXMAJG-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN CC(=O)c1ccc(N[C@@H](C)C#N)cc1 258880029 573687662 /nfs/dbraw/zinc/68/76/62/573687662.db2.gz DRTOZPOEVKOJDZ-QMMMGPOBSA-N 0 0 188.230 2.213 10 30 AEEERN Cc1c(CC#N)ccnc1Cl 238478768 573687706 /nfs/dbraw/zinc/68/77/06/573687706.db2.gz KHCSYMVCKUJPMT-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN CC(=O)CCC[C@@H]1O[C@@H]1C(C)C 214948661 573687814 /nfs/dbraw/zinc/68/78/14/573687814.db2.gz IRCRWGGUBXMAJG-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN N#CC[C@@H]1CCO[C@@H]2CCC[C@@H]12 259556723 573690587 /nfs/dbraw/zinc/69/05/87/573690587.db2.gz CAXBSUAQOIARPW-KXUCPTDWSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@](C#N)(CF)Nc1ccccc1 238478758 573690700 /nfs/dbraw/zinc/69/07/00/573690700.db2.gz BEUFPGJRMSSEBS-SNVBAGLBSA-N 0 0 178.210 2.350 10 30 AEEERN C/C=C/C=C/C=C/C#CC#CCCO 238000452 573690756 /nfs/dbraw/zinc/69/07/56/573690756.db2.gz UATUTFLLXZTAJT-ICDJNDDTSA-N 0 0 186.254 2.064 10 30 AEEERN Cc1cc(C#N)cc(C(F)F)n1 238479237 573690757 /nfs/dbraw/zinc/69/07/57/573690757.db2.gz PAWYSYIXIIJBPU-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN Cc1ccc(C)c(C#C[C@H](C)O)c1C 238479192 573690774 /nfs/dbraw/zinc/69/07/74/573690774.db2.gz LRWZOVJSOAYUGO-NSHDSACASA-N 0 0 188.270 2.344 10 30 AEEERN C[C@@H]1C[C@@]1(C)[C@@H](C#N)N1CCCCC1 714730173 573690781 /nfs/dbraw/zinc/69/07/81/573690781.db2.gz NBAQOUICRDMVRS-IJLUTSLNSA-N 0 0 192.306 2.411 10 30 AEEERN N[C@H](S)c1coc2ccccc12 259164459 573690891 /nfs/dbraw/zinc/69/08/91/573690891.db2.gz CAAKRGKRWPSYMG-SECBINFHSA-N 0 0 179.244 2.320 10 30 AEEERN C=CC[C@@H](O)C/C(C)=C\C 237977293 573690893 /nfs/dbraw/zinc/69/08/93/573690893.db2.gz PLHGLMVNFSGOHU-BZJXQOFCSA-N 0 0 140.226 2.280 10 30 AEEERN Cc1c(C(F)F)ncc(C#N)c1F 238479996 573691063 /nfs/dbraw/zinc/69/10/63/573691063.db2.gz LUPBKZJKEXRLJV-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN N#C[C@@H]1C[C@@H]1C1CCCC1 259162722 573691068 /nfs/dbraw/zinc/69/10/68/573691068.db2.gz NUUQCKZXDPCKJC-DTWKUNHWSA-N 0 0 135.210 2.336 10 30 AEEERN Cc1c[nH]c(-c2ccc(C#N)s2)n1 259618181 573691798 /nfs/dbraw/zinc/69/17/98/573691798.db2.gz HBDWSSYLBDVBCX-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN O=CCC[C@H]1CCOC2(CCC2)C1 86915120 573692441 /nfs/dbraw/zinc/69/24/41/573692441.db2.gz UIMKXBYIZKNAFQ-JTQLQIEISA-N 0 0 182.263 2.315 10 30 AEEERN C/C=C/C#C[C@H](O)c1ccccc1 237991444 573691852 /nfs/dbraw/zinc/69/18/52/573691852.db2.gz VRRMSQVGMMJPBB-JDGPPOGSSA-N 0 0 172.227 2.300 10 30 AEEERN Cc1nc(C2(C#N)CCC2)oc1C 259556785 573691869 /nfs/dbraw/zinc/69/18/69/573691869.db2.gz CCWRITCUQSLNDQ-UHFFFAOYSA-N 0 0 176.219 2.237 10 30 AEEERN C[C@H](O)C#Cc1ccc2occc2c1 238479905 573691927 /nfs/dbraw/zinc/69/19/27/573691927.db2.gz FWHVOWJQUCULGR-VIFPVBQESA-N 0 0 186.210 2.165 10 30 AEEERN C/C=C/C#C[C@@H](O)c1cccs1 237991272 573691955 /nfs/dbraw/zinc/69/19/55/573691955.db2.gz QYZLPNLHCBQVAZ-GKQMSVHHSA-N 0 0 178.256 2.361 10 30 AEEERN N#C[C@H]1C[C@@H]1C1CCCC1 259162724 573691958 /nfs/dbraw/zinc/69/19/58/573691958.db2.gz NUUQCKZXDPCKJC-RKDXNWHRSA-N 0 0 135.210 2.336 10 30 AEEERN N[C@@H](S)c1coc2ccccc12 259164460 573692003 /nfs/dbraw/zinc/69/20/03/573692003.db2.gz CAAKRGKRWPSYMG-VIFPVBQESA-N 0 0 179.244 2.320 10 30 AEEERN C=CCc1ccccc1C#C[C@H](C)O 238479641 573692089 /nfs/dbraw/zinc/69/20/89/573692089.db2.gz BFVOEFFVFRGMFW-NSHDSACASA-N 0 0 186.254 2.147 10 30 AEEERN CC(C)OCC1(CC#N)CC1 83862486 573692115 /nfs/dbraw/zinc/69/21/15/573692115.db2.gz XOJJGFGUTFWYRM-UHFFFAOYSA-N 0 0 153.225 2.105 10 30 AEEERN Cc1ccccc1-n1ccc(C#N)n1 259164246 573692116 /nfs/dbraw/zinc/69/21/16/573692116.db2.gz XOLMTJCWYYALNF-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@H](O)C1(C#N)CCCC1 714728666 573692121 /nfs/dbraw/zinc/69/21/21/573692121.db2.gz HXVBRMYKLRYWCY-VWYCJHECSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@@H]1C[C@@]1(C)[C@@H](O)C1(C#N)CCCC1 714728656 573692168 /nfs/dbraw/zinc/69/21/68/573692168.db2.gz HXVBRMYKLRYWCY-GMTAPVOTSA-N 0 0 193.290 2.477 10 30 AEEERN C=C(C)[C@H](O)CC/C=C/C 238011048 573692177 /nfs/dbraw/zinc/69/21/77/573692177.db2.gz YIUMJDWKYZGCOL-XNPJLODASA-N 0 0 140.226 2.280 10 30 AEEERN C[C@H]1CNc2cc(C#N)ccc21 238479822 573692244 /nfs/dbraw/zinc/69/22/44/573692244.db2.gz WGTYSTTZYVIXHR-ZETCQYMHSA-N 0 0 158.204 2.087 10 30 AEEERN O=CC[C@H]1CCOC2(CCCC2)C1 86914107 573692264 /nfs/dbraw/zinc/69/22/64/573692264.db2.gz RRDXDRZEWVRCLL-JTQLQIEISA-N 0 0 182.263 2.315 10 30 AEEERN C=C[C@H](O)C1=CC[C@@H](C)CC1 238479896 573692285 /nfs/dbraw/zinc/69/22/85/573692285.db2.gz MWIFZVKGIQNJRC-SCZZXKLOSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC#C[C@@H](O)C/C(C)=C\C=C 238479989 573692301 /nfs/dbraw/zinc/69/23/01/573692301.db2.gz OIOAKQCUUVYDQC-ZJRUKIMVSA-N 0 0 162.232 2.059 10 30 AEEERN CCC#CCCCC(C)=O 197470373 573692309 /nfs/dbraw/zinc/69/23/09/573692309.db2.gz AIUPFQHGIFUCGM-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN C/C=C/C#C[C@H](O)c1cccs1 237991500 573692320 /nfs/dbraw/zinc/69/23/20/573692320.db2.gz QYZLPNLHCBQVAZ-HPOULIHZSA-N 0 0 178.256 2.361 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)c1ccccn1 259163772 573692361 /nfs/dbraw/zinc/69/23/61/573692361.db2.gz OZMXEQVWTZFFRK-SECBINFHSA-N 0 0 188.230 2.060 10 30 AEEERN CCOCC/N=C\c1ccccc1 393550560 573692992 /nfs/dbraw/zinc/69/29/92/573692992.db2.gz XHEJRWHFKJRDKZ-BENRWUELSA-N 0 0 177.247 2.142 10 30 AEEERN O=CC[C@@H]1CCOC2(CCCC2)C1 86914104 573693627 /nfs/dbraw/zinc/69/36/27/573693627.db2.gz RRDXDRZEWVRCLL-SNVBAGLBSA-N 0 0 182.263 2.315 10 30 AEEERN CC1(C)CCN(C2CC2)C[C@H]1C#N 259164068 573693670 /nfs/dbraw/zinc/69/36/70/573693670.db2.gz GGFXOFNLGSXDMV-SECBINFHSA-N 0 0 178.279 2.020 10 30 AEEERN CN(CS)c1cccc(F)c1 258881207 573693690 /nfs/dbraw/zinc/69/36/90/573693690.db2.gz HZSOXFLGTYTCIQ-UHFFFAOYSA-N 0 0 171.240 2.149 10 30 AEEERN C#CCN(CCC)C(=O)C(C)(C)CC 130734910 573693741 /nfs/dbraw/zinc/69/37/41/573693741.db2.gz MCOBCPUMYVSAIY-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C#CC[C@@H]1CC[C@H](C)[C@@H](C)C1=O 238482002 573693746 /nfs/dbraw/zinc/69/37/46/573693746.db2.gz ZMBUPQZLDJWEDZ-IVZWLZJFSA-N 0 0 164.248 2.261 10 30 AEEERN C[C@H]1CCC2=C1C(=O)CC2 238481052 573693413 /nfs/dbraw/zinc/69/34/13/573693413.db2.gz YBZMAZWUXKPVAK-LURJTMIESA-N 0 0 136.194 2.076 10 30 AEEERN C/C=C(\CCO)c1ccc(C#N)cc1 215648432 573693442 /nfs/dbraw/zinc/69/34/42/573693442.db2.gz AMRHLQKBRNKONV-BIIKFXOESA-N 0 0 187.242 2.344 10 30 AEEERN Cc1cc(C#N)cc2cnsc12 238481381 573693506 /nfs/dbraw/zinc/69/35/06/573693506.db2.gz MUPASNREMIJPGT-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN N#Cc1nc(-c2cc[nH]c2)cs1 259165111 573693605 /nfs/dbraw/zinc/69/36/05/573693605.db2.gz IXIHAWFCGUANTP-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN C=C(CCO)Cc1cccs1 258088111 573695053 /nfs/dbraw/zinc/69/50/53/573695053.db2.gz GHJYFHDSJOJMPR-UHFFFAOYSA-N 0 0 168.261 2.229 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@@H](O)C1(C#N)CCCC1 714728659 573695131 /nfs/dbraw/zinc/69/51/31/573695131.db2.gz HXVBRMYKLRYWCY-MXWKQRLJSA-N 0 0 193.290 2.477 10 30 AEEERN Cc1cc(O)ccc1C(=O)CCC#N 238481739 573695137 /nfs/dbraw/zinc/69/51/37/573695137.db2.gz NXOZERSECHDWCE-UHFFFAOYSA-N 0 0 189.214 2.187 10 30 AEEERN CC(C)Cc1ccnc(CS)n1 259165545 573694487 /nfs/dbraw/zinc/69/44/87/573694487.db2.gz SYJGPGXXMHOQPE-UHFFFAOYSA-N 0 0 182.292 2.105 10 30 AEEERN Cc1ccc(C#N)c(-c2cccnc2)n1 259618314 573694582 /nfs/dbraw/zinc/69/45/82/573694582.db2.gz HCJGKTZAOHJWJA-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CN[C@H](CC#N)c1ccc(C)cc1C 259161368 573694608 /nfs/dbraw/zinc/69/46/08/573694608.db2.gz CWIIBSWYHZHJEL-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CC(C)Cc1c[nH]c(C2(C#N)CC2)n1 259161951 573694832 /nfs/dbraw/zinc/69/48/32/573694832.db2.gz UNFNNINVUXNIJF-UHFFFAOYSA-N 0 0 189.262 2.163 10 30 AEEERN Cc1cccc2c1cc(CC=O)n2C 258086355 573694857 /nfs/dbraw/zinc/69/48/57/573694857.db2.gz HUCXIHVGCFEKGZ-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN C[C@@H]1C[C@@]1(C)[C@H](O)C1(C#N)CCCC1 714728663 573694880 /nfs/dbraw/zinc/69/48/80/573694880.db2.gz HXVBRMYKLRYWCY-OUAUKWLOSA-N 0 0 193.290 2.477 10 30 AEEERN C=C[C@@](C)(CO)Nc1ccccc1 238480891 573694997 /nfs/dbraw/zinc/69/49/97/573694997.db2.gz FEUBWOPMCCYVGT-NSHDSACASA-N 0 0 177.247 2.036 10 30 AEEERN CC(C)[C@@]1(C=O)SC[C@@H](C)S1 197475404 573696757 /nfs/dbraw/zinc/69/67/57/573696757.db2.gz KQMVBHWHXFVCPL-SFYZADRCSA-N 0 0 190.333 2.406 10 30 AEEERN Cc1ccc([C@H](C)[C@@H]2CO2)cc1 238481828 573696783 /nfs/dbraw/zinc/69/67/83/573696783.db2.gz ZSWMIVAYKBOVBO-ONGXEEELSA-N 0 0 162.232 2.497 10 30 AEEERN CC(C)[C@]1(C=O)SC[C@H](C)S1 197475395 573696827 /nfs/dbraw/zinc/69/68/27/573696827.db2.gz KQMVBHWHXFVCPL-JGVFFNPUSA-N 0 0 190.333 2.406 10 30 AEEERN C[Si](C)(C)C[C@@H]1C[C@@H]1C=O 197469206 573696839 /nfs/dbraw/zinc/69/68/39/573696839.db2.gz UDZXGIWMVOMKTF-SFYZADRCSA-N 0 0 156.301 2.160 10 30 AEEERN N#C[C@@H]1CC[C@@H]2CCC(=O)C=C2C1 197477010 573696103 /nfs/dbraw/zinc/69/61/03/573696103.db2.gz CZLJEKKAQHUELE-RKDXNWHRSA-N 0 0 175.231 2.216 10 30 AEEERN N#C[C@@H]1CC[C@H]2CCC(=O)C=C2C1 197476994 573696132 /nfs/dbraw/zinc/69/61/32/573696132.db2.gz CZLJEKKAQHUELE-BDAKNGLRSA-N 0 0 175.231 2.216 10 30 AEEERN C=C(C)[C@@H](O)C/C(C)=C\C 237977110 573696138 /nfs/dbraw/zinc/69/61/38/573696138.db2.gz YCJBUJGBVPRCJV-RDOCRHDPSA-N 0 0 140.226 2.280 10 30 AEEERN C[C@@H]1Cc2c(CCC=O)cccc2O1 258088001 573696144 /nfs/dbraw/zinc/69/61/44/573696144.db2.gz NSGGTDWQJWZFQS-SECBINFHSA-N 0 0 190.242 2.142 10 30 AEEERN C=C(CO)C[C@@H]1CCCCS1 258088036 573696268 /nfs/dbraw/zinc/69/62/68/573696268.db2.gz GGPZPQLMSUEHEI-VIFPVBQESA-N 0 0 172.293 2.211 10 30 AEEERN CC1=CC(=O)c2sccc2C1=O 197465605 573696322 /nfs/dbraw/zinc/69/63/22/573696322.db2.gz KASJPVQSZRLCMO-UHFFFAOYSA-N 0 0 178.212 2.073 10 30 AEEERN N#C[C@H]1CC[C@@H]2CCC(=O)C=C2C1 197477003 573696344 /nfs/dbraw/zinc/69/63/44/573696344.db2.gz CZLJEKKAQHUELE-DTWKUNHWSA-N 0 0 175.231 2.216 10 30 AEEERN C[Si](C)(C)C[C@@H]1C[C@H]1C=O 197469227 573696383 /nfs/dbraw/zinc/69/63/83/573696383.db2.gz UDZXGIWMVOMKTF-YUMQZZPRSA-N 0 0 156.301 2.160 10 30 AEEERN C=C(c1cccc(C)c1)[C@H](C)O 238480937 573696466 /nfs/dbraw/zinc/69/64/66/573696466.db2.gz KGZXTGSAELJZCT-JTQLQIEISA-N 0 0 162.232 2.389 10 30 AEEERN N#CC1(Sc2cccs2)COC1 259169498 573696544 /nfs/dbraw/zinc/69/65/44/573696544.db2.gz HMBNMQSMAXISIH-UHFFFAOYSA-N 0 0 197.284 2.133 10 30 AEEERN C=CC/C=C(/C)[C@H](O)/C=C\OCC 393551134 573696594 /nfs/dbraw/zinc/69/65/94/573696594.db2.gz FUHBQBRGJASHNM-QELGLNQJSA-N 0 0 182.263 2.420 10 30 AEEERN C=C(c1ccc(F)cc1)[C@H](C)O 238480898 573696637 /nfs/dbraw/zinc/69/66/37/573696637.db2.gz FAVLTZPEYOVCAP-QMMMGPOBSA-N 0 0 166.195 2.220 10 30 AEEERN C=C[C@]1(C)CCCC[C@@H]1O 238482734 573702355 /nfs/dbraw/zinc/70/23/55/573702355.db2.gz QBXDKYBXRDLVFN-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C/C(=N/O)Nc1ccccc1C 238482803 573702375 /nfs/dbraw/zinc/70/23/75/573702375.db2.gz KQXXPMZMRQTYFC-UHFFFAOYSA-N 0 0 164.208 2.215 10 30 AEEERN CC=CC(=CC(C)=O)NC(C)(C)C 237996895 573702454 /nfs/dbraw/zinc/70/24/54/573702454.db2.gz WDOFPGPGVYDBSY-LQPGMRSMSA-N 0 0 181.279 2.424 10 30 AEEERN C#CCCc1nc2ccccc2[nH]1 238000352 573702495 /nfs/dbraw/zinc/70/24/95/573702495.db2.gz OCUOEPUULYYEOY-UHFFFAOYSA-N 0 0 170.215 2.129 10 30 AEEERN C#CC(/C=C/C)=C1\CCCC[C@H]1O 237995705 573702520 /nfs/dbraw/zinc/70/25/20/573702520.db2.gz VBNUQHGTUPNMIQ-LVDITJHCSA-N 0 0 176.259 2.427 10 30 AEEERN C=CCC[C@@H](O)Cc1ccc(O)cc1 238700136 573702552 /nfs/dbraw/zinc/70/25/52/573702552.db2.gz MXJUAOFJBRQOCK-GFCCVEGCSA-N 0 0 192.258 2.262 10 30 AEEERN C=CC(=O)[C@@H]1CC[C@H](C)C1 83944567 573702574 /nfs/dbraw/zinc/70/25/74/573702574.db2.gz FDFUDTXNEPRAPZ-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC(=O)[C@H]1CC[C@@H](C)C1 83944548 573702628 /nfs/dbraw/zinc/70/26/28/573702628.db2.gz FDFUDTXNEPRAPZ-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN CSc1ccc(N(C)CC=O)cc1 258887130 573702684 /nfs/dbraw/zinc/70/26/84/573702684.db2.gz MOYXJHOQXHQOJO-UHFFFAOYSA-N 0 0 195.287 2.044 10 30 AEEERN O=C(C1=CCCCCC1)[C@H](O)C1CC1 236524794 573702763 /nfs/dbraw/zinc/70/27/63/573702763.db2.gz KRHCTGFNFKGEAN-GFCCVEGCSA-N 0 0 194.274 2.217 10 30 AEEERN C=CCc1cc(O)c(C)c(C)c1O 197496784 573702780 /nfs/dbraw/zinc/70/27/80/573702780.db2.gz VZFYJEMQJBDZAV-UHFFFAOYSA-N 0 0 178.231 2.443 10 30 AEEERN O=CCNc1ccc2ccccc2c1 258886865 573702841 /nfs/dbraw/zinc/70/28/41/573702841.db2.gz MMOSGAFOWONSRR-UHFFFAOYSA-N 0 0 185.226 2.451 10 30 AEEERN C#CC1(c2cccnc2)CCC1 237999293 573702842 /nfs/dbraw/zinc/70/28/42/573702842.db2.gz JHMIKTZNRKLIHK-UHFFFAOYSA-N 0 0 157.216 2.137 10 30 AEEERN C#C[C@@H](O)CC1CCCCCC1 122125772 573702856 /nfs/dbraw/zinc/70/28/56/573702856.db2.gz PAVXUPCOTNOFBD-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN Cc1cc(C#N)nc(C(F)F)c1 238483941 573702857 /nfs/dbraw/zinc/70/28/57/573702857.db2.gz QCTMSQORXZSMEZ-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C[C@@]1(C=O)CCCC2=C1SCCO2 238483764 573702863 /nfs/dbraw/zinc/70/28/63/573702863.db2.gz LIHREZYATWKTCE-JTQLQIEISA-N 0 0 198.287 2.351 10 30 AEEERN C=CC(=O)[C@@H]1CCOc2ccccc21 83944601 573702904 /nfs/dbraw/zinc/70/29/04/573702904.db2.gz HNLHNSWYRWFEHD-SECBINFHSA-N 0 0 188.226 2.308 10 30 AEEERN Cc1cc(C)c(NC[C@@H]2CO2)c(C)c1 238483605 573702921 /nfs/dbraw/zinc/70/29/21/573702921.db2.gz OHBUKVMGZFJUPO-LLVKDONJSA-N 0 0 191.274 2.423 10 30 AEEERN CC(C)CN[C@]1(C#N)CS[C@@H](C)C1 86937101 573702940 /nfs/dbraw/zinc/70/29/40/573702940.db2.gz ONBCECAEBCQJRL-VHSXEESVSA-N 0 0 198.335 2.020 10 30 AEEERN C[C@@]1(C=O)CCc2cc(F)ccc21 238483853 573702952 /nfs/dbraw/zinc/70/29/52/573702952.db2.gz GGCLTLCBBUTFOK-NSHDSACASA-N 0 0 178.206 2.229 10 30 AEEERN C[C@@]1(C=O)C[C@@H]1C#Cc1ccccc1 238484172 573703575 /nfs/dbraw/zinc/70/35/75/573703575.db2.gz RNIOTPSVSHGWOK-STQMWFEESA-N 0 0 184.238 2.263 10 30 AEEERN C[C@@]1(C=O)CCCc2ccoc21 238483776 573704375 /nfs/dbraw/zinc/70/43/75/573704375.db2.gz AZJPOZRNZIYWRU-JTQLQIEISA-N 0 0 164.204 2.073 10 30 AEEERN O=CCc1cc2c(O)cccc2s1 258088852 573703768 /nfs/dbraw/zinc/70/37/68/573703768.db2.gz HVDUPUNQYFUELQ-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN C=CC(=O)C1(c2ccccc2)CC1 83944151 573703796 /nfs/dbraw/zinc/70/37/96/573703796.db2.gz PNRJXDLOKASIAD-UHFFFAOYSA-N 0 0 172.227 2.473 10 30 AEEERN C=CC(=O)[C@@H]1CCc2ccccc21 83944630 573703846 /nfs/dbraw/zinc/70/38/46/573703846.db2.gz JQAPEXFGJZTLRP-LLVKDONJSA-N 0 0 172.227 2.472 10 30 AEEERN C[C@H]1OCc2cccc(CC#N)c21 259560145 573703915 /nfs/dbraw/zinc/70/39/15/573703915.db2.gz CILIVUYANXUJED-MRVPVSSYSA-N 0 0 173.215 2.344 10 30 AEEERN N#C[C@@H]1CCc2cc(F)ccc2OC1 259618451 573704122 /nfs/dbraw/zinc/70/41/22/573704122.db2.gz HEFVKGHADGEVMP-QMMMGPOBSA-N 0 0 191.205 2.290 10 30 AEEERN N#CCCN1CCc2cc(F)ccc21 108241789 573704131 /nfs/dbraw/zinc/70/41/31/573704131.db2.gz PCVCVCIIOLWNLN-UHFFFAOYSA-N 0 0 190.221 2.102 10 30 AEEERN C=CC(=O)c1cc(F)c(F)c(F)c1 83943938 573704142 /nfs/dbraw/zinc/70/41/42/573704142.db2.gz NDILXNGLTVNKJC-UHFFFAOYSA-N 0 0 186.132 2.473 10 30 AEEERN C=CC(=O)[C@@H]1CC[C@@H](C)C1 83944556 573704164 /nfs/dbraw/zinc/70/41/64/573704164.db2.gz FDFUDTXNEPRAPZ-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC(=O)CCC[C@@H]1C 238483560 573704170 /nfs/dbraw/zinc/70/41/70/573704170.db2.gz OYFLZVDXOPOHOR-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN C#CCC[C@H](O)c1ccoc1Cl 236524200 573704195 /nfs/dbraw/zinc/70/41/95/573704195.db2.gz OZEPSGQREFPMAX-QMMMGPOBSA-N 0 0 184.622 2.380 10 30 AEEERN C=CC(=O)c1ccc(Cl)cc1N 83944321 573704301 /nfs/dbraw/zinc/70/43/01/573704301.db2.gz VSDRYRGZXAKDSL-UHFFFAOYSA-N 0 0 181.622 2.291 10 30 AEEERN C=CC(=O)CSC1CCCC1 83944387 573705774 /nfs/dbraw/zinc/70/57/74/573705774.db2.gz JUQGTJDFAWPGBX-UHFFFAOYSA-N 0 0 170.277 2.417 10 30 AEEERN C=CC(=O)CS[C@@H](C)CC 83944378 573705845 /nfs/dbraw/zinc/70/58/45/573705845.db2.gz DUNKBAPOSYOWLL-ZETCQYMHSA-N 0 0 158.266 2.273 10 30 AEEERN C=C1C[C@]23CCC[C@]12C(=O)CC3 238016799 573705861 /nfs/dbraw/zinc/70/58/61/573705861.db2.gz QADZIXYMDRYOHX-GHMZBOCLSA-N 0 0 162.232 2.466 10 30 AEEERN Cc1ccc2c(c1)CCN2CCC#N 108241665 573706034 /nfs/dbraw/zinc/70/60/34/573706034.db2.gz CHRBNHDBOHEXES-UHFFFAOYSA-N 0 0 186.258 2.271 10 30 AEEERN C=CC/C=C(\C)[C@H](O)/C=C\OCC 393551132 573706057 /nfs/dbraw/zinc/70/60/57/573706057.db2.gz FUHBQBRGJASHNM-DBRSKXJZSA-N 0 0 182.263 2.420 10 30 AEEERN C=CC(=O)CS[C@H](C)CC 83944376 573706063 /nfs/dbraw/zinc/70/60/63/573706063.db2.gz DUNKBAPOSYOWLL-SSDOTTSWSA-N 0 0 158.266 2.273 10 30 AEEERN C=C1C[C@H]2C[C@@H]1[C@@H]1C[C@@H](C=O)[C@H]21 238016027 573706203 /nfs/dbraw/zinc/70/62/03/573706203.db2.gz BICXRQPHFGNZLI-QHZLYTNSSA-N 0 0 162.232 2.034 10 30 AEEERN Cc1ccsc1NCCC#N 258888898 573706266 /nfs/dbraw/zinc/70/62/66/573706266.db2.gz JGQYIZADQYWQOT-UHFFFAOYSA-N 0 0 166.249 2.382 10 30 AEEERN C=CC(=O)[C@H]1CC[C@H](C)C1 83944551 573706284 /nfs/dbraw/zinc/70/62/84/573706284.db2.gz FDFUDTXNEPRAPZ-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1C[C@@H]1C(=O)Cc1ccccc1 238012947 573706403 /nfs/dbraw/zinc/70/64/03/573706403.db2.gz YEZALJNEZLSCMS-NSHDSACASA-N 0 0 172.227 2.374 10 30 AEEERN C[C@H]1CCC2=C(CCC2=O)C1 238491135 573711354 /nfs/dbraw/zinc/71/13/54/573711354.db2.gz OTCQGXXKHLRZSZ-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN C=C(C)[C@@H](O)CC/C=C/C 238012295 573711379 /nfs/dbraw/zinc/71/13/79/573711379.db2.gz YIUMJDWKYZGCOL-MOVJSRMASA-N 0 0 140.226 2.280 10 30 AEEERN C#CC(=O)[C@]12CCC[C@H]1[C@@H](C)CC2 238491180 573710703 /nfs/dbraw/zinc/71/07/03/573710703.db2.gz WSRXETDFFFBSOF-NHCYSSNCSA-N 0 0 176.259 2.405 10 30 AEEERN O=C1C=C(Cc2ccncc2)CCC1 83951945 573710764 /nfs/dbraw/zinc/71/07/64/573710764.db2.gz XZZWXTWJMLBOLG-UHFFFAOYSA-N 0 0 187.242 2.304 10 30 AEEERN Cc1nc2ccc(C)c(C#N)c2o1 259560010 573710786 /nfs/dbraw/zinc/71/07/86/573710786.db2.gz IHPHSWRTZHJLKF-UHFFFAOYSA-N 0 0 172.187 2.316 10 30 AEEERN CCc1cc(Cl)cc(C#N)c1O 258102009 573710822 /nfs/dbraw/zinc/71/08/22/573710822.db2.gz XWPRPFBQBBQNCV-UHFFFAOYSA-N 0 0 181.622 2.480 10 30 AEEERN C[C@H]1CCCCC[C@@H]1NCC#N 83949198 573710824 /nfs/dbraw/zinc/71/08/24/573710824.db2.gz XAKUWXWYYBZKNP-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN N#C[C@@H]1C[C@@H]2CCS[C@@H]2C1 259559975 573710843 /nfs/dbraw/zinc/71/08/43/573710843.db2.gz IGYPJPBNUCPYET-GJMOJQLCSA-N 0 0 153.250 2.042 10 30 AEEERN Cc1nc(C(F)F)c(C=O)cc1C#N 238491001 573711074 /nfs/dbraw/zinc/71/10/74/573711074.db2.gz JHJNZQXXHMJNCW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C#CC(=O)[C@]12CCC[C@@H]1[C@@H](C)CC2 238491202 573711167 /nfs/dbraw/zinc/71/11/67/573711167.db2.gz WSRXETDFFFBSOF-UMNHJUIQSA-N 0 0 176.259 2.405 10 30 AEEERN C(=N/Cc1ccc[nH]1)\c1ccccn1 238010050 573711182 /nfs/dbraw/zinc/71/11/82/573711182.db2.gz ACXOTBFCGPVANT-XYOKQWHBSA-N 0 0 185.230 2.029 10 30 AEEERN CCCN[C@@]1(C#N)CCCS[C@@H]1C 86946526 573711187 /nfs/dbraw/zinc/71/11/87/573711187.db2.gz WKIVADKQUYJUSB-NXEZZACHSA-N 0 0 198.335 2.164 10 30 AEEERN C[C@H]1CCC2=C(CC(C)(C)CC2=O)N1 238491062 573711224 /nfs/dbraw/zinc/71/12/24/573711224.db2.gz BSBSHRDPFYZPMF-QMMMGPOBSA-N 0 0 193.290 2.402 10 30 AEEERN CC(C)N[C@]1(C#N)CCCS[C@H]1C 86946541 573711236 /nfs/dbraw/zinc/71/12/36/573711236.db2.gz DMEZQWDAXVFCMV-UWVGGRQHSA-N 0 0 198.335 2.162 10 30 AEEERN C=C1CCCC[C@]12C[C@@H]2C=O 238010841 573711261 /nfs/dbraw/zinc/71/12/61/573711261.db2.gz NAXCVWIFUABYCV-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@@H](O)c1ccc(C)c(C)c1O 238490793 573711305 /nfs/dbraw/zinc/71/13/05/573711305.db2.gz BQQUPRZZUJJQEQ-SNVBAGLBSA-N 0 0 178.231 2.228 10 30 AEEERN C=C(C)[C@H]1CC(=O)[C@@H](C)C1 238492301 573713989 /nfs/dbraw/zinc/71/39/89/573713989.db2.gz FTOPGSOAFSXJRQ-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN COc1cc(C)c(C#N)c(Cl)c1O 258096200 573713306 /nfs/dbraw/zinc/71/33/06/573713306.db2.gz OJSUFRXUOJVSCC-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN Cc1n[nH]c2cccc(CCC=O)c12 258096195 573713331 /nfs/dbraw/zinc/71/33/31/573713331.db2.gz OJRFARDNCZCXMJ-UHFFFAOYSA-N 0 0 188.230 2.003 10 30 AEEERN C[C@H](CC=O)c1ccc2c[nH]nc2c1 258095968 573713341 /nfs/dbraw/zinc/71/33/41/573713341.db2.gz OGRXKWUFTSUIEH-MRVPVSSYSA-N 0 0 188.230 2.255 10 30 AEEERN COc1ccc([C@H]2O[C@@H]2C)c(OC)c1 258890374 573713391 /nfs/dbraw/zinc/71/33/91/573713391.db2.gz UBYUGRXNICTRKB-HQJQHLMTSA-N 0 0 194.230 2.164 10 30 AEEERN C=C(OC)C(=O)C1CCCCC1 197516086 573713451 /nfs/dbraw/zinc/71/34/51/573713451.db2.gz YNPYHWDRZJGNTC-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=C(C)C[C@@H](NCC)C(F)(F)F 130865232 573713755 /nfs/dbraw/zinc/71/37/55/573713755.db2.gz LQBHOOTUCZNLJC-SSDOTTSWSA-N 0 0 181.201 2.493 10 30 AEEERN O=C1CCC2=C1CCCC=C2 197518275 573713769 /nfs/dbraw/zinc/71/37/69/573713769.db2.gz UTCNJSSDMZAUJS-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN CCO[C@@]1(C#N)CCCS[C@H]1C 86969508 573713817 /nfs/dbraw/zinc/71/38/17/573713817.db2.gz JGWFVZSFNBCFGS-DTWKUNHWSA-N 0 0 185.292 2.201 10 30 AEEERN C=C(C)C[C@H](NCC)C(F)(F)F 130865012 573713852 /nfs/dbraw/zinc/71/38/52/573713852.db2.gz LQBHOOTUCZNLJC-ZETCQYMHSA-N 0 0 181.201 2.493 10 30 AEEERN C=C(C)C(=O)c1cc(C)n(C)c1C 83963891 573713859 /nfs/dbraw/zinc/71/38/59/573713859.db2.gz YPKAMWWGIDOFIB-UHFFFAOYSA-N 0 0 177.247 2.401 10 30 AEEERN C[C@H]1C2=C(CCCC2=O)O[C@@H]1C 238494853 573719470 /nfs/dbraw/zinc/71/94/70/573719470.db2.gz PBGNMFQBQKUSEU-RNFRBKRXSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@H](C=O)[C@H](C)C(F)(F)F 108282580 573719475 /nfs/dbraw/zinc/71/94/75/573719475.db2.gz VSCHDLJVPSDLMX-UHNVWZDZSA-N 0 0 154.131 2.020 10 30 AEEERN C=CC(=O)CCC(F)(F)F 86979439 573719476 /nfs/dbraw/zinc/71/94/76/573719476.db2.gz FTNFVCZSUPFKMK-UHFFFAOYSA-N 0 0 152.115 2.084 10 30 AEEERN CC#CCCOC1=CC(=O)CCC1 238030269 573719535 /nfs/dbraw/zinc/71/95/35/573719535.db2.gz LTGIPRNXYYBMSB-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN CC#CCCC1=C(C)C(=O)C1 238027936 573718885 /nfs/dbraw/zinc/71/88/85/573718885.db2.gz MAAMBNVTUXBHLS-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN CC#CCCC1=C(C)[C@H](O)[C@@H]1C 238028193 573719099 /nfs/dbraw/zinc/71/90/99/573719099.db2.gz HLZGMENLDGJXRV-LDYMZIIASA-N 0 0 164.248 2.117 10 30 AEEERN COc1ccc2c(c1)[C@H](C#N)CCN2 83966058 573719136 /nfs/dbraw/zinc/71/91/36/573719136.db2.gz RFVUNHDJCRLTTM-QMMMGPOBSA-N 0 0 188.230 2.118 10 30 AEEERN CC#CCCC(C)(C)CC=O 238027703 573719183 /nfs/dbraw/zinc/71/91/83/573719183.db2.gz MIWKCKZWJNNCCD-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN CC#CCCC1=C(C)[C@H](O)[C@H]1C 238028223 573719231 /nfs/dbraw/zinc/71/92/31/573719231.db2.gz HLZGMENLDGJXRV-GZMMTYOYSA-N 0 0 164.248 2.117 10 30 AEEERN C[C@@H]1CC(C=O)=C(O)[C@H](C)C1 238493860 573719397 /nfs/dbraw/zinc/71/93/97/573719397.db2.gz HTIGJZWUZCGEKE-OAVJAUTGSA-N 0 0 154.209 2.063 10 30 AEEERN C#CCCn1c(C)ccc1C 69791164 573719418 /nfs/dbraw/zinc/71/94/18/573719418.db2.gz OSTXRBPBAYGZPH-UHFFFAOYSA-N 0 0 147.221 2.128 10 30 AEEERN C[C@@H](C#N)Cc1cccc([N+](=O)[O-])c1 83966545 573721442 /nfs/dbraw/zinc/72/14/42/573721442.db2.gz HYWRAJKCRVETHK-MRVPVSSYSA-N 0 0 190.202 2.297 10 30 AEEERN C/C(=C\CCCCO)CS 238044516 573721472 /nfs/dbraw/zinc/72/14/72/573721472.db2.gz QJIMUQBQVBGPMX-VMPITWQZSA-N 0 0 160.282 2.025 10 30 AEEERN C[C@@H](C=O)[C@@H](C)C(F)(F)F 108282572 573720784 /nfs/dbraw/zinc/72/07/84/573720784.db2.gz VSCHDLJVPSDLMX-CRCLSJGQSA-N 0 0 154.131 2.020 10 30 AEEERN CC1(C)CSC[C@@H]([NH2+]CCC#N)C1 86974812 573720808 /nfs/dbraw/zinc/72/08/08/573720808.db2.gz HJAGRWRWJNGVHS-VIFPVBQESA-N 0 0 198.335 2.021 10 30 AEEERN C[C@H]1OC2=C(C(=O)CCC2)[C@H]1C 238494909 573720888 /nfs/dbraw/zinc/72/08/88/573720888.db2.gz PBGNMFQBQKUSEU-NKWVEPMBSA-N 0 0 166.220 2.048 10 30 AEEERN CCC#CCC[C@@H](O)C(C)C 197538145 573720893 /nfs/dbraw/zinc/72/08/93/573720893.db2.gz UTPLHOMWTPOESA-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN C=CC1=CC(=O)[C@H]2CC=CC[C@H]12 238044605 573720928 /nfs/dbraw/zinc/72/09/28/573720928.db2.gz FWGIZTUQRHZXKB-ZJUUUORDSA-N 0 0 160.216 2.264 10 30 AEEERN CC(=O)C(C)=C(Cl)Cl 238051033 573720985 /nfs/dbraw/zinc/72/09/85/573720985.db2.gz FJROZBFOKUJTJJ-UHFFFAOYSA-N 0 0 153.008 2.285 10 30 AEEERN C[C@@]12CC=CC[C@@H]1CC=CC2=O 223288303 573721061 /nfs/dbraw/zinc/72/10/61/573721061.db2.gz GOVMZLZBILBGJV-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN Cc1ccc(F)c2[nH]cc(C#N)c12 238493859 573721098 /nfs/dbraw/zinc/72/10/98/573721098.db2.gz XSNMWOQBDFCPEZ-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CC1=C[C@@H](C)C[C@@H](C)C1=O 238493889 573721144 /nfs/dbraw/zinc/72/11/44/573721144.db2.gz MITLMGZPTDRPCJ-HTRCEHHLSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C(C)=O)[C@@H]1CC=CCC1 238042163 573721150 /nfs/dbraw/zinc/72/11/50/573721150.db2.gz SGJPISGQWHRXJP-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN CC(=O)C(=O)C1=C(C)CCCC1 238043589 573721194 /nfs/dbraw/zinc/72/11/94/573721194.db2.gz QOCGGFDIQPEQOH-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CCN[C@@]1(C#N)CSCCC1(C)C 86972079 573721224 /nfs/dbraw/zinc/72/12/24/573721224.db2.gz QBSNXWGDUIBSFE-JTQLQIEISA-N 0 0 198.335 2.021 10 30 AEEERN C=C1CCCC[C@@H]1[C@H](O)C#CC 238042160 573721287 /nfs/dbraw/zinc/72/12/87/573721287.db2.gz FEXPBMQSYHJSLE-WDEREUQCSA-N 0 0 164.248 2.117 10 30 AEEERN CC(=O)C(C)=C1CCCC1 238051078 573721311 /nfs/dbraw/zinc/72/13/11/573721311.db2.gz YCYQFXWHCMOIDQ-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN N#CC1(c2ccc(N)c([S-])c2)CC1 259562981 573721334 /nfs/dbraw/zinc/72/13/34/573721334.db2.gz SJJPCEYRNPEUCT-UHFFFAOYSA-N 0 0 190.271 2.113 10 30 AEEERN C=CC(=O)[C@H]1CCCCC1=C 238041935 573721362 /nfs/dbraw/zinc/72/13/62/573721362.db2.gz MINUEAIONSTPBY-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=CC1=CCC[C@H](C=O)C1 238043372 573721417 /nfs/dbraw/zinc/72/14/17/573721417.db2.gz GKFSADSLYXAQKF-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN C=CC(=O)[C@H]1C[C@H]2C=C[C@@H]1CC2 238041993 573723381 /nfs/dbraw/zinc/72/33/81/573723381.db2.gz GZPKIDPRFDKORB-AEJSXWLSSA-N 0 0 162.232 2.344 10 30 AEEERN C=CCC(C)(C)C(=O)C=C 142909577 573723390 /nfs/dbraw/zinc/72/33/90/573723390.db2.gz JYMRCZFEGYINIP-UHFFFAOYSA-N 0 0 138.210 2.344 10 30 AEEERN C=CC(=O)c1cc(C)c(C)o1 238485561 573723421 /nfs/dbraw/zinc/72/34/21/573723421.db2.gz UZSKMKLSKOOMCR-UHFFFAOYSA-N 0 0 150.177 2.265 10 30 AEEERN CC1(C)CSC[C@H]([NH2+]CCC#N)C1 86974816 573723426 /nfs/dbraw/zinc/72/34/26/573723426.db2.gz HJAGRWRWJNGVHS-SECBINFHSA-N 0 0 198.335 2.021 10 30 AEEERN C#CCC[C@@]1(O)CSCC(C)(C)C1 86978193 573723612 /nfs/dbraw/zinc/72/36/12/573723612.db2.gz BAJRHSOHKCTHQV-NSHDSACASA-N 0 0 198.331 2.294 10 30 AEEERN CO[C@@]1(C#N)CSCCC1(C)C 86973837 573723619 /nfs/dbraw/zinc/72/36/19/573723619.db2.gz XQJOYKIIXUZWCX-VIFPVBQESA-N 0 0 185.292 2.058 10 30 AEEERN C=CC[C@@]1(O)CSCCC1(C)C 86972655 573723743 /nfs/dbraw/zinc/72/37/43/573723743.db2.gz DUBSOJHOXMAOPK-SNVBAGLBSA-N 0 0 186.320 2.457 10 30 AEEERN CCO[C@]1(C#N)CSCC(C)(C)C1 86978900 573723778 /nfs/dbraw/zinc/72/37/78/573723778.db2.gz WDQMJXNIIOSGTL-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN C=C[C@@H](C#CC)[C@@H]1CCCC1=O 238046615 573723884 /nfs/dbraw/zinc/72/38/84/573723884.db2.gz DKSQEPSZJCOQEV-UWVGGRQHSA-N 0 0 162.232 2.181 10 30 AEEERN Cc1cc2c(C#N)c(F)ccc2[nH]1 238496421 573723890 /nfs/dbraw/zinc/72/38/90/573723890.db2.gz GYFWUXUNHVCAAM-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CC[C@H](C)ON=C(COC)C(C)C 308425827 573723947 /nfs/dbraw/zinc/72/39/47/573723947.db2.gz RBMLNNXHGHWJGV-VIFPVBQESA-N 0 0 187.283 2.460 10 30 AEEERN Cc1cc2c(C#N)c(C)[nH]c2cc1N 238496349 573723999 /nfs/dbraw/zinc/72/39/99/573723999.db2.gz FWIOATVGBUZGGV-UHFFFAOYSA-N 0 0 185.230 2.239 10 30 AEEERN Cc1ccc([C@H](CO)CS)cc1 238485564 573724021 /nfs/dbraw/zinc/72/40/21/573724021.db2.gz NDIDTNBJVFYARP-SNVBAGLBSA-N 0 0 182.288 2.001 10 30 AEEERN C=C(C)[C@H]1COc2ccccc2N1 142920683 573724836 /nfs/dbraw/zinc/72/48/36/573724836.db2.gz DSXJNPYEIAXDHU-SNVBAGLBSA-N 0 0 175.231 2.436 10 30 AEEERN Cc1nn(C2CCCC2)c(C)c1C#N 257857800 573725036 /nfs/dbraw/zinc/72/50/36/573725036.db2.gz QIGQOTMUVGGOJD-UHFFFAOYSA-N 0 0 189.262 2.487 10 30 AEEERN O=C1C=C(O)[C@@H]2C3CCC(CC3)[C@H]12 142923593 573725047 /nfs/dbraw/zinc/72/50/47/573725047.db2.gz NFPJKMSPHXLVOB-MUJHLVEZSA-N 0 0 178.231 2.063 10 30 AEEERN CC[C@@H](C)ON=C(COC)C(C)C 308425826 573725070 /nfs/dbraw/zinc/72/50/70/573725070.db2.gz RBMLNNXHGHWJGV-SECBINFHSA-N 0 0 187.283 2.460 10 30 AEEERN C[C@](F)(C=O)c1cccc(F)c1F 257858372 573725196 /nfs/dbraw/zinc/72/51/96/573725196.db2.gz QJLRCCHIHITVRL-VIFPVBQESA-N 0 0 188.148 2.348 10 30 AEEERN CCc1ccsc1CC#N 142918526 573725243 /nfs/dbraw/zinc/72/52/43/573725243.db2.gz MSPHQYYBBJVWHY-UHFFFAOYSA-N 0 0 151.234 2.377 10 30 AEEERN C=C(C)C#C[C@H](O)C[C@@H]1C=CCC1 238057269 573725442 /nfs/dbraw/zinc/72/54/42/573725442.db2.gz KMGNCZZHNUYLRH-NEPJUHHUSA-N 0 0 176.259 2.283 10 30 AEEERN Cc1c(F)cnc(C(F)F)c1C#N 238496255 573725474 /nfs/dbraw/zinc/72/54/74/573725474.db2.gz DVMVGFBCXCASAO-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN N#Cc1ccc(NCCCF)cc1F 306173446 573725521 /nfs/dbraw/zinc/72/55/21/573725521.db2.gz GIANSYHIGGLOBE-UHFFFAOYSA-N 0 0 196.200 2.469 10 30 AEEERN N#Cc1c(Cl)ccc2c1COCO2 258106225 573725552 /nfs/dbraw/zinc/72/55/52/573725552.db2.gz PDCSATZHMAGZNA-UHFFFAOYSA-N 0 0 195.605 2.078 10 30 AEEERN N#C[C@H]1CCCc2scnc21 108285346 573727743 /nfs/dbraw/zinc/72/77/43/573727743.db2.gz SYXNPAOYPAIUDX-ZCFIWIBFSA-N 0 0 164.233 2.087 10 30 AEEERN N#Cc1csc2ccc(N)c(F)c12 306692003 573727827 /nfs/dbraw/zinc/72/78/27/573727827.db2.gz QYYKJTZPEAEGKQ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#CCNCc1coc2ccccc12 258892603 573727843 /nfs/dbraw/zinc/72/78/43/573727843.db2.gz WZPBZCXVBBVOFR-UHFFFAOYSA-N 0 0 186.214 2.046 10 30 AEEERN CC[C@H](O)C#CCCc1ccccc1 223325167 573727868 /nfs/dbraw/zinc/72/78/68/573727868.db2.gz FZPMZHBDLVNMNZ-ZDUSSCGKSA-N 0 0 188.270 2.394 10 30 AEEERN C=C(C)C#C[C@@H](O)C[C@@H]1C=CCC1 238056481 573727907 /nfs/dbraw/zinc/72/79/07/573727907.db2.gz KMGNCZZHNUYLRH-VXGBXAGGSA-N 0 0 176.259 2.283 10 30 AEEERN C=C[C@@](C)(NC(C)=O)c1ccccc1 238059284 573727924 /nfs/dbraw/zinc/72/79/24/573727924.db2.gz BPJVPYCIZISUQH-GFCCVEGCSA-N 0 0 189.258 2.224 10 30 AEEERN N#Cc1c(O)cc2sccc2c1N 306693207 573728063 /nfs/dbraw/zinc/72/80/63/573728063.db2.gz SRNNQQLBZDFRHU-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN N#Cc1ccnn1[C@H]1CCCC[C@@H]1F 221397842 573728127 /nfs/dbraw/zinc/72/81/27/573728127.db2.gz MUCHUOHCJQMYHS-UWVGGRQHSA-N 0 0 193.225 2.208 10 30 AEEERN C=CCCC[C@@H]1C=CC(=O)C1 238056676 573728154 /nfs/dbraw/zinc/72/81/54/573728154.db2.gz XVJJDTWNDXMJMJ-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CC#C/C(=C/C)[C@H](O)C(C)(C)C 238057382 573728161 /nfs/dbraw/zinc/72/81/61/573728161.db2.gz KDSUKZNHOAFJHD-RNKPRXRFSA-N 0 0 166.264 2.363 10 30 AEEERN C[C@H]1CCCCCC[C@H](C=O)O1 238487469 573728163 /nfs/dbraw/zinc/72/81/63/573728163.db2.gz SZGMZTSTMKWZHF-VHSXEESVSA-N 0 0 170.252 2.313 10 30 AEEERN N#Cc1cc2cc(N)sc2cc1F 306698620 573728170 /nfs/dbraw/zinc/72/81/70/573728170.db2.gz HONFZHZUEZAOQX-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=CC[C@H](C)[C@@H](C)[C@@H](C)O 715005107 573728192 /nfs/dbraw/zinc/72/81/92/573728192.db2.gz KHTHJOUASCDKJI-DJLDLDEBSA-N 0 0 142.242 2.216 10 30 AEEERN C=C1OC(=C)C(C)(C)C1C(C)=O 238059963 573728195 /nfs/dbraw/zinc/72/81/95/573728195.db2.gz ZOSLWHHIZYVGHQ-UHFFFAOYSA-N 0 0 166.220 2.420 10 30 AEEERN C=C(C)C#C[C@@H](O)C[C@H]1C=CCC1 238056454 573728224 /nfs/dbraw/zinc/72/82/24/573728224.db2.gz KMGNCZZHNUYLRH-NWDGAFQWSA-N 0 0 176.259 2.283 10 30 AEEERN N#C[C@]12CCC[C@H]1CC(=O)CC2 108285161 573728258 /nfs/dbraw/zinc/72/82/58/573728258.db2.gz KQJNHXGKWNETBJ-WCBMZHEXSA-N 0 0 163.220 2.049 10 30 AEEERN C[C@@]1(CCC#N)CCCC1=O 238487717 573728277 /nfs/dbraw/zinc/72/82/77/573728277.db2.gz GUBISRXBDPIDEC-VIFPVBQESA-N 0 0 151.209 2.049 10 30 AEEERN C=C(C)C#C[C@H](O)c1cccs1 238057337 573728299 /nfs/dbraw/zinc/72/82/99/573728299.db2.gz AGZILPDKIZUUQY-VIFPVBQESA-N 0 0 178.256 2.361 10 30 AEEERN C[C@H]1CCCCC[C@H](C#N)C1=O 238488164 573728308 /nfs/dbraw/zinc/72/83/08/573728308.db2.gz NXMXOUJCNASUPJ-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)C1=C(C)SCCC1 238060370 573728320 /nfs/dbraw/zinc/72/83/20/573728320.db2.gz KGBNYEUFVLBSFT-UHFFFAOYSA-N 0 0 156.250 2.376 10 30 AEEERN N#Cc1cc2c(O)cc(N)cc2s1 306697105 573728355 /nfs/dbraw/zinc/72/83/55/573728355.db2.gz YSZCZRAMLAUYTM-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN N#Cc1cnn(C2CCC(F)CC2)c1 221397695 573728375 /nfs/dbraw/zinc/72/83/75/573728375.db2.gz PMNZZAFCPNWEQH-UHFFFAOYSA-N 0 0 193.225 2.208 10 30 AEEERN COc1ccc(N=C(C)C)cn1 144824084 573730404 /nfs/dbraw/zinc/73/04/04/573730404.db2.gz UALDCGGMNMWJTH-UHFFFAOYSA-N 0 0 164.208 2.203 10 30 AEEERN C[C@]1(C=O)CCCC[C@@]1(C)CC=O 238487414 573730423 /nfs/dbraw/zinc/73/04/23/573730423.db2.gz HNAGFPFBSFJBGM-WDEREUQCSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@H]1CCCCCC[C@@H](C=O)O1 238487433 573730455 /nfs/dbraw/zinc/73/04/55/573730455.db2.gz SZGMZTSTMKWZHF-UWVGGRQHSA-N 0 0 170.252 2.313 10 30 AEEERN Cc1c(C=O)n(C)c2cccc(C#N)c12 257852759 573730470 /nfs/dbraw/zinc/73/04/70/573730470.db2.gz NABYTTKYUJUTKK-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN O=C[C@H]1CCC[C@H]1C(F)(F)F 108285776 573730487 /nfs/dbraw/zinc/73/04/87/573730487.db2.gz SODDPEOYGQGMMT-PHDIDXHHSA-N 0 0 166.142 2.164 10 30 AEEERN C=C(C)C#C[C@@H](O)c1cccs1 238056580 573730490 /nfs/dbraw/zinc/73/04/90/573730490.db2.gz AGZILPDKIZUUQY-SECBINFHSA-N 0 0 178.256 2.361 10 30 AEEERN C=C(C)C(=O)C1(C)CCC1 238059552 573730517 /nfs/dbraw/zinc/73/05/17/573730517.db2.gz ZTFLEEWXGTYAAP-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H]1CC2=C(C=CC=CC2)C1=O 238487734 573730582 /nfs/dbraw/zinc/73/05/82/573730582.db2.gz CWGPNNWFOAXPPU-QMMMGPOBSA-N 0 0 160.216 2.408 10 30 AEEERN O=CCCc1cccc2cc[nH]c12 258112124 573730688 /nfs/dbraw/zinc/73/06/88/573730688.db2.gz ZAQJDOBGYUOAMO-UHFFFAOYSA-N 0 0 173.215 2.299 10 30 AEEERN C=C[C@@H](C)C(C)(C)[C@H](C)O 238487341 573730871 /nfs/dbraw/zinc/73/08/71/573730871.db2.gz WCGJNKPIMJKPOP-SFYZADRCSA-N 0 0 142.242 2.216 10 30 AEEERN Cc1cccc(CCN(C)CS)c1 258895287 573731041 /nfs/dbraw/zinc/73/10/41/573731041.db2.gz JYQZBFSGFZZNIN-UHFFFAOYSA-N 0 0 195.331 2.357 10 30 AEEERN CO[C@@](C)(C=O)c1cccc(Cl)c1 257852796 573731049 /nfs/dbraw/zinc/73/10/49/573731049.db2.gz NBDGIRKFPQFJPX-JTQLQIEISA-N 0 0 198.649 2.401 10 30 AEEERN O=C[C@H]1CCC[C@@H]1C(F)(F)F 108285782 573731084 /nfs/dbraw/zinc/73/10/84/573731084.db2.gz SODDPEOYGQGMMT-RITPCOANSA-N 0 0 166.142 2.164 10 30 AEEERN C[C@@]1(CCC#N)CCCC(=O)C1 238487697 573731132 /nfs/dbraw/zinc/73/11/32/573731132.db2.gz REMNQDHPTLIOSF-JTQLQIEISA-N 0 0 165.236 2.440 10 30 AEEERN C[C@@H]1CC[C@H]([C@H](C)CC=O)CC1=O 144846304 573735714 /nfs/dbraw/zinc/73/57/14/573735714.db2.gz MAIOSSGRIUGCSS-BBBLOLIVSA-N 0 0 182.263 2.217 10 30 AEEERN N#Cc1cnn([C@@H]2CCC[C@@H](F)C2)c1 221398601 573734911 /nfs/dbraw/zinc/73/49/11/573734911.db2.gz KQOKMJYBWWXEFK-NXEZZACHSA-N 0 0 193.225 2.208 10 30 AEEERN C[C@@]1(CCC=O)CCCC(=O)C1 238488906 573735073 /nfs/dbraw/zinc/73/50/73/573735073.db2.gz RMWCXVCRBOXQEL-JTQLQIEISA-N 0 0 168.236 2.115 10 30 AEEERN O=CCCc1ccc2c(c1F)CCC2 258113315 573735154 /nfs/dbraw/zinc/73/51/54/573735154.db2.gz PTAIFEDCRVKAJP-UHFFFAOYSA-N 0 0 192.233 2.446 10 30 AEEERN N#Cc1cnn([C@H]2CCC[C@H](F)C2)c1 221398544 573735244 /nfs/dbraw/zinc/73/52/44/573735244.db2.gz KQOKMJYBWWXEFK-UWVGGRQHSA-N 0 0 193.225 2.208 10 30 AEEERN COc1ccc(N(C)CS)cc1C 258895431 573735307 /nfs/dbraw/zinc/73/53/07/573735307.db2.gz KDCLXDKWBVNZKW-UHFFFAOYSA-N 0 0 197.303 2.327 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1ncccc1F 715006221 573735320 /nfs/dbraw/zinc/73/53/20/573735320.db2.gz SOEJYHCBQCPZMI-GZMMTYOYSA-N 0 0 195.237 2.466 10 30 AEEERN SCNCc1ccc(Cl)s1 258897552 573735402 /nfs/dbraw/zinc/73/54/02/573735402.db2.gz KIDARKRPPHILTN-UHFFFAOYSA-N 0 0 193.724 2.378 10 30 AEEERN Cc1ccc(F)c(NC(=O)CS)c1 84003402 573735516 /nfs/dbraw/zinc/73/55/16/573735516.db2.gz RJHDWLSYXLDZCE-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN Cc1cc(OCC[C@H]2CO2)ccc1F 308693914 573735520 /nfs/dbraw/zinc/73/55/20/573735520.db2.gz SIYGZVZAJAPRND-JTQLQIEISA-N 0 0 196.221 2.302 10 30 AEEERN O=C[C@H]1C[C@@H]1COCc1ccccc1 144784234 573735568 /nfs/dbraw/zinc/73/55/68/573735568.db2.gz UZKXRCGZXXUUOP-VXGBXAGGSA-N 0 0 190.242 2.038 10 30 AEEERN Cc1nccc(CC#N)c1C(F)F 238489255 573736027 /nfs/dbraw/zinc/73/60/27/573736027.db2.gz DZLCBUUAJSIOGI-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN N#Cc1ccnn1[C@H]1CCC[C@@H](F)C1 221398181 573736072 /nfs/dbraw/zinc/73/60/72/573736072.db2.gz ZEZPLHBMOMXXOB-BDAKNGLRSA-N 0 0 193.225 2.208 10 30 AEEERN C=CCc1cc(CC#N)ccc1O 224627950 573736209 /nfs/dbraw/zinc/73/62/09/573736209.db2.gz WRTBZUBKXWYWJX-UHFFFAOYSA-N 0 0 173.215 2.187 10 30 AEEERN C#Cc1cnc2[nH]c(C)c(C)c2c1 238489426 573736387 /nfs/dbraw/zinc/73/63/87/573736387.db2.gz YNFSIWHLBFIXCF-UHFFFAOYSA-N 0 0 170.215 2.161 10 30 AEEERN N#CCCc1cc2ccccc2c(=O)[nH]1 259618946 573736578 /nfs/dbraw/zinc/73/65/78/573736578.db2.gz NKGCGUGLCDXDSJ-UHFFFAOYSA-N 0 0 198.225 2.397 10 30 AEEERN CCn1ccc2cccc(CC=O)c21 258114635 573736629 /nfs/dbraw/zinc/73/66/29/573736629.db2.gz LKFFDBUIYRDMJY-UHFFFAOYSA-N 0 0 187.242 2.403 10 30 AEEERN N[C@H](C#Cc1ccccc1)c1ccco1 313577603 573736644 /nfs/dbraw/zinc/73/66/44/573736644.db2.gz VPNQKLUJGVDKQN-GFCCVEGCSA-N 0 0 197.237 2.331 10 30 AEEERN N#C[C@@H](N)c1cccc(C2CC2)c1 87012153 573738980 /nfs/dbraw/zinc/73/89/80/573738980.db2.gz LGBIMWCSLRDGKQ-LLVKDONJSA-N 0 0 172.231 2.087 10 30 AEEERN Cc1ccsc1CCC=O 87022991 573744377 /nfs/dbraw/zinc/74/43/77/573744377.db2.gz UITIFSWYGDZJBK-UHFFFAOYSA-N 0 0 154.234 2.188 10 30 AEEERN Cc1c(F)cccc1NC(=O)CS 84004384 573738289 /nfs/dbraw/zinc/73/82/89/573738289.db2.gz JVGPLRYINIMXMC-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN N#C[C@@]12CCCC[C@@H]1CC(=O)CC2 108291716 573738299 /nfs/dbraw/zinc/73/82/99/573738299.db2.gz SLBYFIPMPBOBJP-KOLCDFICSA-N 0 0 177.247 2.440 10 30 AEEERN N#Cc1csc(C#N)c1C1CC1 259619373 573738301 /nfs/dbraw/zinc/73/83/01/573738301.db2.gz HUFUYUAYZNYZSU-UHFFFAOYSA-N 0 0 174.228 2.369 10 30 AEEERN CC(=O)C1=CCc2c(F)cccc21 108291251 573738410 /nfs/dbraw/zinc/73/84/10/573738410.db2.gz HCALHIUANWPRCZ-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN C=C1C=CCC[C@@H]1C(C)=O 238072750 573738483 /nfs/dbraw/zinc/73/84/83/573738483.db2.gz AEQIVVUVEJPKKJ-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN C=C(C)C=C=CC(=O)c1ccco1 238074973 573738499 /nfs/dbraw/zinc/73/84/99/573738499.db2.gz GBFLKKIBXCHEPD-UHFFFAOYSA-N 0 0 174.199 2.432 10 30 AEEERN C=C(C)CC#C[C@@H](O)c1ccco1 238075341 573738589 /nfs/dbraw/zinc/73/85/89/573738589.db2.gz POJVHJSMTZWOTK-SNVBAGLBSA-N 0 0 176.215 2.283 10 30 AEEERN CC(=O)C1=CN2CCCC[C@H]2CC1 238072971 573738598 /nfs/dbraw/zinc/73/85/98/573738598.db2.gz ODZHTVKETFGQGB-NSHDSACASA-N 0 0 179.263 2.108 10 30 AEEERN C=C(C)C1=C(C)CCC1=O 238072079 573738634 /nfs/dbraw/zinc/73/86/34/573738634.db2.gz XWXYVUIPOKKHRM-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC#CCCCCNc1ccn(C)n1 308652366 573738641 /nfs/dbraw/zinc/73/86/41/573738641.db2.gz LLJGACZDTXRFOP-UHFFFAOYSA-N 0 0 191.278 2.026 10 30 AEEERN Cc1ccc(NC(=O)CS)c(F)c1 84003398 573738699 /nfs/dbraw/zinc/73/86/99/573738699.db2.gz BIMJKNFPLREGAG-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN CC(=O)C1=Cc2cccc(F)c2C1 108291248 573738735 /nfs/dbraw/zinc/73/87/35/573738735.db2.gz YWEUAIRVFCEKPT-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN O=CCc1cccc(C(F)F)c1 125005514 573738762 /nfs/dbraw/zinc/73/87/62/573738762.db2.gz DBODBYBRZYFWKP-UHFFFAOYSA-N 0 0 170.158 2.366 10 30 AEEERN O=CCc1cccc(C2CC2)c1 87013845 573738771 /nfs/dbraw/zinc/73/87/71/573738771.db2.gz HKOCYFXZUFDAEA-UHFFFAOYSA-N 0 0 160.216 2.305 10 30 AEEERN C=C(C)C1CC(C(C)=O)C1 238073735 573738811 /nfs/dbraw/zinc/73/88/11/573738811.db2.gz NAMVMDGFSRSGBT-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN N#C[C@]12CCCC[C@H]1CC(=O)CC2 108291706 573738823 /nfs/dbraw/zinc/73/88/23/573738823.db2.gz SLBYFIPMPBOBJP-GXSJLCMTSA-N 0 0 177.247 2.440 10 30 AEEERN CC(=O)C1=CNc2ccccc2C1 238073095 573738964 /nfs/dbraw/zinc/73/89/64/573738964.db2.gz NQVQOJYXVSVTGO-UHFFFAOYSA-N 0 0 173.215 2.128 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1ncccc1F 715006223 573738971 /nfs/dbraw/zinc/73/89/71/573738971.db2.gz SOEJYHCBQCPZMI-KWQFWETISA-N 0 0 195.237 2.466 10 30 AEEERN C[C@@H](C#N)N(C)CCC1CCC1 258902986 573743158 /nfs/dbraw/zinc/74/31/58/573743158.db2.gz YBVZDWANVKCVEG-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C=CCC[C@@H]1CC=CCC1=O 238060459 573742459 /nfs/dbraw/zinc/74/24/59/573742459.db2.gz NNZWFEOEEZZMAY-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@@]1(C)C(=O)C[C@@H]1/C=C/C 238061109 573742466 /nfs/dbraw/zinc/74/24/66/573742466.db2.gz FRMHSUBFWOMVDI-WUQHTFKHSA-N 0 0 150.221 2.344 10 30 AEEERN N#CCCSc1cc(O)ccc1O 224995267 573742493 /nfs/dbraw/zinc/74/24/93/573742493.db2.gz JTMDKXIGQJQYPN-UHFFFAOYSA-N 0 0 195.243 2.104 10 30 AEEERN FC(F)C1(C=NOCC2CC2)CC1 308428466 573742516 /nfs/dbraw/zinc/74/25/16/573742516.db2.gz YHMJIHZVSYMRQK-UHFFFAOYSA-N 0 0 189.205 2.444 10 30 AEEERN N#CCc1ncc(Cc2ccccc2)o1 259563968 573742556 /nfs/dbraw/zinc/74/25/56/573742556.db2.gz FHXGGVRLAOOVNG-UHFFFAOYSA-N 0 0 198.225 2.331 10 30 AEEERN C=CCC[C@@H]1CCC=CC1=O 238060692 573742603 /nfs/dbraw/zinc/74/26/03/573742603.db2.gz KUQMKZXIEOKNRJ-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@H](O)C/C(C)=C\C 238061190 573742640 /nfs/dbraw/zinc/74/26/40/573742640.db2.gz PLHGLMVNFSGOHU-RDOCRHDPSA-N 0 0 140.226 2.280 10 30 AEEERN O=CCCc1ccc(CF)cc1 258102029 573742723 /nfs/dbraw/zinc/74/27/23/573742723.db2.gz XXRVNQOETCJGPC-UHFFFAOYSA-N 0 0 166.195 2.288 10 30 AEEERN N#Cc1cc2c(cc1Cl)COCO2 258103689 573742742 /nfs/dbraw/zinc/74/27/42/573742742.db2.gz OZVANLMLUYKMSF-UHFFFAOYSA-N 0 0 195.605 2.078 10 30 AEEERN C/C=C/[C@H]1CCC[C@H]1C=O 238061665 573742837 /nfs/dbraw/zinc/74/28/37/573742837.db2.gz SNEZFJDFDSSLNP-WIYOPTIVSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C#N)N(C)c1ccc(F)cc1 258901331 573742935 /nfs/dbraw/zinc/74/29/35/573742935.db2.gz XXCINLXFYXKREJ-MRVPVSSYSA-N 0 0 178.210 2.174 10 30 AEEERN CC[C@H]1C=CC=CC=CC1=O 166682842 573742951 /nfs/dbraw/zinc/74/29/51/573742951.db2.gz ONZLASIGGPITLE-VIFPVBQESA-N 0 0 148.205 2.264 10 30 AEEERN C/C=C1\C(=O)C[C@@H]2[C@H]1C2(C)C 238076039 573743100 /nfs/dbraw/zinc/74/31/00/573743100.db2.gz AODSCNBENSPTEI-VZHGHLCVSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@]12CC=CC[C@H]1CC(=O)C(=O)C2 238501196 573743110 /nfs/dbraw/zinc/74/31/10/573743110.db2.gz YFIWQUVIGGKCSV-GZMMTYOYSA-N 0 0 178.231 2.374 10 30 AEEERN OC[C@@H](CS)C1CCCCC1 258115512 573743125 /nfs/dbraw/zinc/74/31/25/573743125.db2.gz FOMIUZSJDKLYAT-VIFPVBQESA-N 0 0 174.309 2.105 10 30 AEEERN C/C=C/[C@H]1CCC[C@@H]1C=O 238061550 573745801 /nfs/dbraw/zinc/74/58/01/573745801.db2.gz SNEZFJDFDSSLNP-NGWLPCGSSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCC[C@@H]1CCCOC1 238060879 573745254 /nfs/dbraw/zinc/74/52/54/573745254.db2.gz XVIWDLTZUNRLLG-SECBINFHSA-N 0 0 140.226 2.379 10 30 AEEERN C=C[C@H](O)c1c(C)oc(C)c1C 122440386 573745281 /nfs/dbraw/zinc/74/52/81/573745281.db2.gz AUYQHIHVAOUXAI-VIFPVBQESA-N 0 0 166.220 2.424 10 30 AEEERN C=C(C)/C(Cl)=C/CCO 238071119 573745341 /nfs/dbraw/zinc/74/53/41/573745341.db2.gz VDRZVGVXJQXQIT-DAXSKMNVSA-N 0 0 146.617 2.068 10 30 AEEERN C=C(C)C#CC[C@H](O)C(C)(C)C 144881204 573745397 /nfs/dbraw/zinc/74/53/97/573745397.db2.gz ULCZGEVYUZYNKE-JTQLQIEISA-N 0 0 166.264 2.363 10 30 AEEERN C=CCC[C@@H]1CCC2=C1C(=O)CO2 238060646 573745488 /nfs/dbraw/zinc/74/54/88/573745488.db2.gz YTXHIVHYTIETDT-MRVPVSSYSA-N 0 0 178.231 2.216 10 30 AEEERN SCCNc1cccs1 258903747 573745559 /nfs/dbraw/zinc/74/55/59/573745559.db2.gz OLOBHUGFZMNGEC-UHFFFAOYSA-N 0 0 159.279 2.090 10 30 AEEERN Cc1cnc(C(F)F)c(C=O)c1C#N 238501310 573745613 /nfs/dbraw/zinc/74/56/13/573745613.db2.gz IIQVTMHTQDMBPL-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=C(CC)CC(=O)[C@H](C)[C@@H](O)CC 393561045 573745633 /nfs/dbraw/zinc/74/56/33/573745633.db2.gz CCHDVNPGIQUXGK-ZJUUUORDSA-N 0 0 184.279 2.319 10 30 AEEERN C=C(C)[C@H](O)C/C(C)=C\C 238061052 573745709 /nfs/dbraw/zinc/74/57/09/573745709.db2.gz YCJBUJGBVPRCJV-BZJXQOFCSA-N 0 0 140.226 2.280 10 30 AEEERN C=C(CC)CC(=O)[C@@H](C)[C@@H](O)CC 393561043 573745728 /nfs/dbraw/zinc/74/57/28/573745728.db2.gz CCHDVNPGIQUXGK-UWVGGRQHSA-N 0 0 184.279 2.319 10 30 AEEERN COc1ccc2c(c1)[C@@H](C=O)CS2 258116065 573747114 /nfs/dbraw/zinc/74/71/14/573747114.db2.gz OVMBSRSMKKGVMR-ZETCQYMHSA-N 0 0 194.255 2.083 10 30 AEEERN C=C[C@H](O)C(=C)C[Si](C)(C)C 223524987 573747253 /nfs/dbraw/zinc/74/72/53/573747253.db2.gz BWGJTMQKKJOWMK-VIFPVBQESA-N 0 0 170.328 2.428 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)Cc1ccccn1 715007800 573747538 /nfs/dbraw/zinc/74/75/38/573747538.db2.gz YIXYXTBNHVPNET-PWSUYJOCSA-N 0 0 191.274 2.197 10 30 AEEERN CC(=O)C1=CCCCCC(=O)C1 238064053 573747613 /nfs/dbraw/zinc/74/76/13/573747613.db2.gz QLFVETNFDALWHW-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN C=C(C)C(=O)Nc1cc(F)cc(F)c1 238065709 573747651 /nfs/dbraw/zinc/74/76/51/573747651.db2.gz IONYIBRMOMJBAL-UHFFFAOYSA-N 0 0 197.184 2.479 10 30 AEEERN CC(C)(C)c1cc(O)c(O)c(C#N)c1 258116076 573747728 /nfs/dbraw/zinc/74/77/28/573747728.db2.gz QCQFKVSSEHCAKL-UHFFFAOYSA-N 0 0 191.230 2.267 10 30 AEEERN Cc1c(F)ncc(C(F)F)c1C#N 238498319 573747740 /nfs/dbraw/zinc/74/77/40/573747740.db2.gz FCJFQQGFYXYUKA-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN O=CC/C=C\C1CCCC1 258116549 573749953 /nfs/dbraw/zinc/74/99/53/573749953.db2.gz IBEWGDWMRUKYIV-CLTKARDFSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)C1=CCC(C)(C)C=C1 238063870 573749958 /nfs/dbraw/zinc/74/99/58/573749958.db2.gz QUMSAHYBJXTGDE-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@H](C#N)[C@H](N)c1ccc(C)o1 259181696 573749972 /nfs/dbraw/zinc/74/99/72/573749972.db2.gz CSXNPIMBUHSNOF-SCZZXKLOSA-N 0 0 178.235 2.138 10 30 AEEERN C=C(C)C(=O)Nc1cccc(C=O)c1 238065947 573750018 /nfs/dbraw/zinc/75/00/18/573750018.db2.gz JJIMFAAKCFAKBR-UHFFFAOYSA-N 0 0 189.214 2.014 10 30 AEEERN C[C@@H](C#N)N1C[C@H](C)CC[C@@H]1C 84047610 573750096 /nfs/dbraw/zinc/75/00/96/573750096.db2.gz JHLOKJAKPCEYKT-UTLUCORTSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@]12C=CC(=O)C[C@H]1CC[C@@H]2C#N 238498025 573750202 /nfs/dbraw/zinc/75/02/02/573750202.db2.gz KQFAPUCKBJUVNT-KKZNHRDASA-N 0 0 175.231 2.071 10 30 AEEERN Cc1cc2c(C#N)ccc(F)c2[nH]1 238496668 573750285 /nfs/dbraw/zinc/75/02/85/573750285.db2.gz ASZHVBKHUCRYPD-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1cnc(C#N)c(C=O)c1C(F)F 238497409 573750388 /nfs/dbraw/zinc/75/03/88/573750388.db2.gz ONTOYCDVXFQOGS-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN Cc1ccc(Cl)c(CCC=O)c1O 258116514 573750427 /nfs/dbraw/zinc/75/04/27/573750427.db2.gz LVKGYXQPBXDCSM-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN C=C[C@@](C)(/C=C/C)[C@H](C)O 238065718 573750429 /nfs/dbraw/zinc/75/04/29/573750429.db2.gz HGAYISBSCSCBJN-NHELSVQFSA-N 0 0 140.226 2.136 10 30 AEEERN C=C(C)CC(=O)[C@@H](OCC)C1CC1 132185216 573750496 /nfs/dbraw/zinc/75/04/96/573750496.db2.gz QHYQIZDYGYPFRL-NSHDSACASA-N 0 0 182.263 2.337 10 30 AEEERN Cc1onc(-c2ccco2)c1C#N 238497359 573750499 /nfs/dbraw/zinc/75/04/99/573750499.db2.gz PGRNQBQLPWNSCR-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN CCCSc1nccc(C#N)c1N 214673012 573750538 /nfs/dbraw/zinc/75/05/38/573750538.db2.gz OMJXWVMHZYNWAE-UHFFFAOYSA-N 0 0 193.275 2.038 10 30 AEEERN Cc1c(F)ncc(C#N)c1C(F)F 238498243 573750634 /nfs/dbraw/zinc/75/06/34/573750634.db2.gz GGZAKVDJJSWBIT-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1cc(C(F)F)c(C#N)c(C=O)n1 238498033 573750650 /nfs/dbraw/zinc/75/06/50/573750650.db2.gz RHNIPVGEURFZTQ-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=CC[C@@H]1CCC=C1C(C)=O 238064589 573750726 /nfs/dbraw/zinc/75/07/26/573750726.db2.gz HZAPQBLMBKTHKB-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C#CC[C@@H](c1ccccc1)[C@H](C)CO 214956896 573753411 /nfs/dbraw/zinc/75/34/11/573753411.db2.gz CZZRDJUUMBNKRP-DGCLKSJQSA-N 0 0 188.270 2.422 10 30 AEEERN CC(=O)Nc1c(CC#N)csc1C 238068537 573753683 /nfs/dbraw/zinc/75/36/83/573753683.db2.gz QKUATVMKBNRRPT-UHFFFAOYSA-N 0 0 194.259 2.081 10 30 AEEERN CC(=O)C/C(C)=N/c1ccc(N)cc1 238078294 573753728 /nfs/dbraw/zinc/75/37/28/573753728.db2.gz KDWRERLLOPLNAB-MDWZMJQESA-N 0 0 190.246 2.340 10 30 AEEERN CC(=O)[C@H]1CC[C@](C)(C=O)C1(C)C 238078701 573753796 /nfs/dbraw/zinc/75/37/96/573753796.db2.gz HLZPJZAPIVKGTB-MWLCHTKSSA-N 0 0 182.263 2.217 10 30 AEEERN C=C(C)C(C(=C)C)C(C)=O 238068717 573753813 /nfs/dbraw/zinc/75/38/13/573753813.db2.gz SRNUCUHDWJMKJD-UHFFFAOYSA-N 0 0 138.210 2.344 10 30 AEEERN SCCCN1CCc2ccccc21 87055260 573753830 /nfs/dbraw/zinc/75/38/30/573753830.db2.gz DSZQHAHGXCCUSX-UHFFFAOYSA-N 0 0 193.315 2.369 10 30 AEEERN C/C=C1\C(=O)C[C@H]2CCC[C@@H]12 238078440 573753832 /nfs/dbraw/zinc/75/38/32/573753832.db2.gz OOKOBJNIAYNUBG-GAFWVPIUSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1cc2c(CC#N)nccc2o1 238499262 573753838 /nfs/dbraw/zinc/75/38/38/573753838.db2.gz YOSNCKVCKPMNAX-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN N#CCc1c(F)ccc2c1OCCC2 258116258 573753901 /nfs/dbraw/zinc/75/39/01/573753901.db2.gz QFTGOQADPIEVNA-UHFFFAOYSA-N 0 0 191.205 2.217 10 30 AEEERN CC(=O)c1ccc([C@H]2CO2)s1 238068442 573753926 /nfs/dbraw/zinc/75/39/26/573753926.db2.gz DJPLTEIQXKYJOE-ZCFIWIBFSA-N 0 0 168.217 2.022 10 30 AEEERN Cc1ccc(C(=O)C(=O)C(C)C)cc1 238068177 573753974 /nfs/dbraw/zinc/75/39/74/573753974.db2.gz YTUHIJFFAGQIOT-GFCCVEGCSA-N 0 0 190.242 2.174 10 30 AEEERN C=CC1(C)CC(C(C)=O)C1 238068029 573753987 /nfs/dbraw/zinc/75/39/87/573753987.db2.gz HGIBWXWXDKKIOX-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)c1ccc([C@@H]2CO2)s1 238068146 573754043 /nfs/dbraw/zinc/75/40/43/573754043.db2.gz DJPLTEIQXKYJOE-LURJTMIESA-N 0 0 168.217 2.022 10 30 AEEERN Cc1cccc([C@H]2O[C@@H]2C)c1O 238505168 573759928 /nfs/dbraw/zinc/75/99/28/573759928.db2.gz OSPQDAJDCJQFFI-XCBNKYQSSA-N 0 0 164.204 2.160 10 30 AEEERN CC1=C([C@H]2C[C@@H]2C)CCC1=O 238506367 573759947 /nfs/dbraw/zinc/75/99/47/573759947.db2.gz DDLOOVDWEUJCAV-RCOVLWMOSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(S)c1ccc(N)cc1 238098058 573760064 /nfs/dbraw/zinc/76/00/64/573760064.db2.gz NSANOASADDZARG-UHFFFAOYSA-N 0 0 167.277 2.434 10 30 AEEERN Cc1ccc(C(C)(C)C[NH2+]CS)o1 258915815 573760077 /nfs/dbraw/zinc/76/00/77/573760077.db2.gz MUHZSVBZPOFNAK-UHFFFAOYSA-N 0 0 199.319 2.343 10 30 AEEERN Cc1nc(C(F)F)ccc1CC#N 238505091 573760119 /nfs/dbraw/zinc/76/01/19/573760119.db2.gz WKUGKQNXGWTUNK-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN CC[C@]1(COC)CC[C@](C)(CC#N)O1 308697189 573760232 /nfs/dbraw/zinc/76/02/32/573760232.db2.gz UBHLFWQPGYCRKV-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN C=C1C[C@@H]2C(=O)CCC[C@]12C 238506695 573760250 /nfs/dbraw/zinc/76/02/50/573760250.db2.gz BZWBGKPTOHTERZ-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN CCC[C@@H](C#N)C(F)(F)F 258423935 573760454 /nfs/dbraw/zinc/76/04/54/573760454.db2.gz CESKMMWJOGQAJY-YFKPBYRVSA-N 0 0 151.131 2.489 10 30 AEEERN Cc1[nH]c2ccccc2c1NCC#N 258917548 573760492 /nfs/dbraw/zinc/76/04/92/573760492.db2.gz ZTODUTRYWWPRIK-UHFFFAOYSA-N 0 0 185.230 2.412 10 30 AEEERN Cc1ccccc1N(C)CCS 87073603 573760533 /nfs/dbraw/zinc/76/05/33/573760533.db2.gz UANCITYAEBHQGT-UHFFFAOYSA-N 0 0 181.304 2.361 10 30 AEEERN O=C1C=C[C@@H]2CCCC[C@@]12Cl 238505652 573760586 /nfs/dbraw/zinc/76/05/86/573760586.db2.gz LWGHSYWPSAZEPC-CBAPKCEASA-N 0 0 170.639 2.293 10 30 AEEERN C[C@]12CCCC(=O)[C@@H]1C[C@@H](C=O)CC2 238506341 573760623 /nfs/dbraw/zinc/76/06/23/573760623.db2.gz ACMYWNLIFSFFDW-JBLDHEPKSA-N 0 0 194.274 2.361 10 30 AEEERN C=CC1=C[C@H](OCC=O)C[C@H](C)C1 238505114 573759917 /nfs/dbraw/zinc/75/99/17/573759917.db2.gz AFZJVPRWSKCRIO-MWLCHTKSSA-N 0 0 180.247 2.113 10 30 AEEERN COc1ccccc1[C@@]1(C)C[C@@H]1C=O 257869008 573764346 /nfs/dbraw/zinc/76/43/46/573764346.db2.gz SPLHWOLNYSWRAJ-SKDRFNHKSA-N 0 0 190.242 2.172 10 30 AEEERN CC(C)C(=O)/C=C/c1cc[nH]c1 143460036 573763616 /nfs/dbraw/zinc/76/36/16/573763616.db2.gz HHDZMIHXGMKKHA-ONEGZZNKSA-N 0 0 163.220 2.253 10 30 AEEERN Cc1cccc(-c2cccc(C#N)n2)n1 259620308 573763639 /nfs/dbraw/zinc/76/36/39/573763639.db2.gz HFCPQBBINSSTQT-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC(C)(C)[C@H]1CCCC(=O)C1=O 238089625 573763658 /nfs/dbraw/zinc/76/36/58/573763658.db2.gz UTXYMCRKDSBWRV-ZETCQYMHSA-N 0 0 168.236 2.454 10 30 AEEERN C=CC[C@H]1C(=O)CC[C@@H]1C=C 238089506 573763703 /nfs/dbraw/zinc/76/37/03/573763703.db2.gz JQBLRRQHSWALKV-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN CN(CCS)c1ccc(F)cc1 87073109 573763706 /nfs/dbraw/zinc/76/37/06/573763706.db2.gz FYEURNJWUUBNMZ-UHFFFAOYSA-N 0 0 185.267 2.192 10 30 AEEERN CC(=O)CC1=C(C)CCCC1=O 238088791 573763827 /nfs/dbraw/zinc/76/38/27/573763827.db2.gz SBUWZEAAPUBIIW-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN Cc1ccsc1NCS 258930503 573763910 /nfs/dbraw/zinc/76/39/10/573763910.db2.gz OWZADQZGPKUPJM-UHFFFAOYSA-N 0 0 159.279 2.356 10 30 AEEERN CCC[C@H](C#N)C(F)(F)F 258423932 573764117 /nfs/dbraw/zinc/76/41/17/573764117.db2.gz CESKMMWJOGQAJY-RXMQYKEDSA-N 0 0 151.131 2.489 10 30 AEEERN C=C(C)COc1c(O)cccc1F 238091170 573764137 /nfs/dbraw/zinc/76/41/37/573764137.db2.gz VLEJUBCDJBHONW-UHFFFAOYSA-N 0 0 182.194 2.486 10 30 AEEERN C=CC[C@@H]1CSC=CC1=O 238088094 573764228 /nfs/dbraw/zinc/76/42/28/573764228.db2.gz XNKWNNQYRWYLSC-SSDOTTSWSA-N 0 0 154.234 2.008 10 30 AEEERN CC(C)(C#CCO)[Si](C)(C)C 238090449 573764238 /nfs/dbraw/zinc/76/42/38/573764238.db2.gz VQVVYODYGZPWSH-UHFFFAOYSA-N 0 0 170.328 2.101 10 30 AEEERN C=C(C)COc1cc(C#N)ccc1O 238091264 573764250 /nfs/dbraw/zinc/76/42/50/573764250.db2.gz NRRLBSZTIKCPAC-UHFFFAOYSA-N 0 0 189.214 2.219 10 30 AEEERN COc1cccc2c1[C@H](C=O)CS2 258124801 573767960 /nfs/dbraw/zinc/76/79/60/573767960.db2.gz PJSGODRFITVOMT-SSDOTTSWSA-N 0 0 194.255 2.083 10 30 AEEERN O=C[C@@]1(Cl)CCC(Cl)=CO1 238509042 573767127 /nfs/dbraw/zinc/76/71/27/573767127.db2.gz ZGDRQQSZWDFKME-ZCFIWIBFSA-N 0 0 181.018 2.011 10 30 AEEERN C[C@@H]1C[C@]1(C#N)C1CCC1 258928929 573767143 /nfs/dbraw/zinc/76/71/43/573767143.db2.gz AHQWPYJSCUXMHF-VXNVDRBHSA-N 0 0 135.210 2.336 10 30 AEEERN Cc1cc(C(F)F)c(O)c(CC#N)n1 238509455 573767280 /nfs/dbraw/zinc/76/72/80/573767280.db2.gz HXBSHTIYWKLDDO-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CC[C@H](C#N)[C@H]1CCCC(=O)C1 238092905 573767301 /nfs/dbraw/zinc/76/73/01/573767301.db2.gz SXMAHBSZTNASMB-VHSXEESVSA-N 0 0 177.247 2.462 10 30 AEEERN CC(=O)Nc1ccccc1CCC#N 238094094 573767348 /nfs/dbraw/zinc/76/73/48/573767348.db2.gz PJFFWNHLJPVSQB-UHFFFAOYSA-N 0 0 188.230 2.101 10 30 AEEERN Cc1ccc2[nH]c(=S)[nH]c2c1C#N 238509970 573767356 /nfs/dbraw/zinc/76/73/56/573767356.db2.gz YXHUJQFYKMQAGS-UHFFFAOYSA-N 0 0 189.243 2.032 10 30 AEEERN N#CC1CC2(CCSC2)C1 259566398 573767383 /nfs/dbraw/zinc/76/73/83/573767383.db2.gz IVOUHNYCFHVSGD-UHFFFAOYSA-N 0 0 153.250 2.043 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)C1CCC1 258928915 573767398 /nfs/dbraw/zinc/76/73/98/573767398.db2.gz AHQWPYJSCUXMHF-APPZFPTMSA-N 0 0 135.210 2.336 10 30 AEEERN CCOCC[C@H](C)CCS 87079124 573767433 /nfs/dbraw/zinc/76/74/33/573767433.db2.gz FARIESKUMWMJIE-QMMMGPOBSA-N 0 0 162.298 2.369 10 30 AEEERN C[C@@H](CS)COC1CCC1 87080835 573767447 /nfs/dbraw/zinc/76/74/47/573767447.db2.gz XVYBBETVOZOQEY-SSDOTTSWSA-N 0 0 160.282 2.121 10 30 AEEERN CC(C)(C)[C@H]1CC[C@@H](C=O)OC1 238092457 573767489 /nfs/dbraw/zinc/76/74/89/573767489.db2.gz SSBIQSOHUIMWHJ-IUCAKERBSA-N 0 0 170.252 2.027 10 30 AEEERN N#CCCc1ccncc1Cl 84087322 573767513 /nfs/dbraw/zinc/76/75/13/573767513.db2.gz VGATZMQHZBOPNM-UHFFFAOYSA-N 0 0 166.611 2.191 10 30 AEEERN COC[C@H](CS)C(C)(C)C 87079090 573767535 /nfs/dbraw/zinc/76/75/35/573767535.db2.gz ONRCEDRXLHAKTC-SSDOTTSWSA-N 0 0 162.298 2.225 10 30 AEEERN C=CC[C@H]1CC=CCCC1=O 238094063 573767595 /nfs/dbraw/zinc/76/75/95/573767595.db2.gz BFXJRPDFNWOQSN-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H]1C[C@]1(C#N)C1CCC1 258928925 573767611 /nfs/dbraw/zinc/76/76/11/573767611.db2.gz AHQWPYJSCUXMHF-IONNQARKSA-N 0 0 135.210 2.336 10 30 AEEERN C=CC[C@H]1CC(=O)C[C@@H]1C=C 238093970 573767615 /nfs/dbraw/zinc/76/76/15/573767615.db2.gz WJYNZFVOLKVDSO-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN CC(C)C[C@@H](C)OCCS 87079665 573767625 /nfs/dbraw/zinc/76/76/25/573767625.db2.gz AJXNWRSZRYEANF-MRVPVSSYSA-N 0 0 162.298 2.367 10 30 AEEERN CCCOCC1(CS)CC1 87080470 573767653 /nfs/dbraw/zinc/76/76/53/573767653.db2.gz XAWHUUJPGWWGMI-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN N#Cc1cn2c(C3CC3)ncc2s1 259620643 573767664 /nfs/dbraw/zinc/76/76/64/573767664.db2.gz HHTFJSZDMMWAPF-UHFFFAOYSA-N 0 0 189.243 2.145 10 30 AEEERN C[C@H]1C[C@@]1(C#N)C1CCC1 258928922 573767693 /nfs/dbraw/zinc/76/76/93/573767693.db2.gz AHQWPYJSCUXMHF-CBAPKCEASA-N 0 0 135.210 2.336 10 30 AEEERN C=CC[C@H]1CC(=O)C[C@H]1C=C 238093992 573767722 /nfs/dbraw/zinc/76/77/22/573767722.db2.gz WJYNZFVOLKVDSO-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN CC(C)CCOCCCS 87079191 573767772 /nfs/dbraw/zinc/76/77/72/573767772.db2.gz PNCUKUVLQWIHNA-UHFFFAOYSA-N 0 0 162.298 2.369 10 30 AEEERN C[C@H]1O[C@H]1CC(=O)c1ccccc1 238509854 573767787 /nfs/dbraw/zinc/76/77/87/573767787.db2.gz SABVJEYHPMORBY-KCJUWKMLSA-N 0 0 176.215 2.047 10 30 AEEERN SCC1(Cn2ccnc2)CCCC1 87091037 573767848 /nfs/dbraw/zinc/76/78/48/573767848.db2.gz SBYZFTPIDXFIOG-UHFFFAOYSA-N 0 0 196.319 2.373 10 30 AEEERN CC(=O)CCC1(C)C=CC(=O)C=C1 238093204 573767854 /nfs/dbraw/zinc/76/78/54/573767854.db2.gz QPFFQFXAUKMEEK-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN C[C@@]1(C#N)C[C@H]1c1ccc[nH]1 258926896 573767865 /nfs/dbraw/zinc/76/78/65/573767865.db2.gz ABNGMGYGBZJSNF-CBAPKCEASA-N 0 0 146.193 2.032 10 30 AEEERN SC/C=C/COC1CCCC1 87079004 573767888 /nfs/dbraw/zinc/76/78/88/573767888.db2.gz VQUMMJWLBVLFRV-ONEGZZNKSA-N 0 0 172.293 2.432 10 30 AEEERN C=C(C)COc1cccc(F)c1O 238091537 573767893 /nfs/dbraw/zinc/76/78/93/573767893.db2.gz ZGBAUPKVBDDHKY-UHFFFAOYSA-N 0 0 182.194 2.486 10 30 AEEERN CC(C)(C#N)[C@@H]1CC[C@]1(C)C=O 238091461 573767930 /nfs/dbraw/zinc/76/79/30/573767930.db2.gz LWQLUGHLZYGYGY-WCBMZHEXSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)(C#N)c1cc(F)ccc1N 238096974 573770193 /nfs/dbraw/zinc/77/01/93/573770193.db2.gz CSCOTXUFRIQLCS-UHFFFAOYSA-N 0 0 178.210 2.209 10 30 AEEERN SCCCn1cnc2ccccc21 87091419 573770206 /nfs/dbraw/zinc/77/02/06/573770206.db2.gz VEHSFQPLKWZAQZ-UHFFFAOYSA-N 0 0 192.287 2.356 10 30 AEEERN CC(C)(C#N)c1cc(O)cc(F)c1 238097438 573770227 /nfs/dbraw/zinc/77/02/27/573770227.db2.gz XZLHYGONAZDHIE-UHFFFAOYSA-N 0 0 179.194 2.332 10 30 AEEERN CCCCOC/C=C/CS 87080567 573770240 /nfs/dbraw/zinc/77/02/40/573770240.db2.gz BFPBCMKPZNYFGT-SNAWJCMRSA-N 0 0 160.282 2.289 10 30 AEEERN O=CCC[C@H]1C=C(Cl)C(=O)CC1 238509907 573770242 /nfs/dbraw/zinc/77/02/42/573770242.db2.gz DQJMDMZUHHTEKG-SSDOTTSWSA-N 0 0 186.638 2.067 10 30 AEEERN N#CCC[C@]1(C=O)CCC=C1Cl 238508823 573770251 /nfs/dbraw/zinc/77/02/51/573770251.db2.gz MFYGFMIOYJSYLE-VIFPVBQESA-N 0 0 183.638 2.392 10 30 AEEERN CC(C)(C#N)c1cc(F)c(F)cc1N 238096090 573770254 /nfs/dbraw/zinc/77/02/54/573770254.db2.gz VHNZCDGEIRMOLM-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN CC(C)(C#N)c1cc(F)ccc1O 238097053 573770270 /nfs/dbraw/zinc/77/02/70/573770270.db2.gz ZQKKXDVXNQXYBI-UHFFFAOYSA-N 0 0 179.194 2.332 10 30 AEEERN Cc1cc(C)n(CC2(CS)CC2)n1 87091181 573770281 /nfs/dbraw/zinc/77/02/81/573770281.db2.gz IPYNVQCPXQQLFB-UHFFFAOYSA-N 0 0 196.319 2.210 10 30 AEEERN SCCOCC1CCCC1 87083038 573770308 /nfs/dbraw/zinc/77/03/08/573770308.db2.gz QPZAFJBOCZKFDX-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN CC(=O)CC(=O)Nc1ccccc1 100085809 573770358 /nfs/dbraw/zinc/77/03/58/573770358.db2.gz IGKMBTGLQPCPNS-YFHOEESVSA-N 0 0 177.203 2.087 10 30 AEEERN C=CCCC(=O)c1ncccc1F 131148293 573770379 /nfs/dbraw/zinc/77/03/79/573770379.db2.gz CGFPEWPGPPAPMA-UHFFFAOYSA-N 0 0 179.194 2.370 10 30 AEEERN O=CC1(c2ccc(O)c(Cl)c2)CC1 257871409 573770414 /nfs/dbraw/zinc/77/04/14/573770414.db2.gz TVHNBJGTNJMJPP-UHFFFAOYSA-N 0 0 196.633 2.276 10 30 AEEERN O=CCC[C@@H]1C=C(Cl)C(=O)CC1 238509303 573770417 /nfs/dbraw/zinc/77/04/17/573770417.db2.gz DQJMDMZUHHTEKG-ZETCQYMHSA-N 0 0 186.638 2.067 10 30 AEEERN C=CCOCCCCCS 87078931 573770421 /nfs/dbraw/zinc/77/04/21/573770421.db2.gz FGYMNXUGNIEPSG-UHFFFAOYSA-N 0 0 160.282 2.289 10 30 AEEERN CCCOC[C@H](CC)CS 87080481 573770444 /nfs/dbraw/zinc/77/04/44/573770444.db2.gz HRMASHHYAAKCAV-QMMMGPOBSA-N 0 0 162.298 2.369 10 30 AEEERN C=C(C)C[C@H]1C=CNC(=S)C1 238097426 573770456 /nfs/dbraw/zinc/77/04/56/573770456.db2.gz PQZGFWCKMXPACC-MRVPVSSYSA-N 0 0 167.277 2.403 10 30 AEEERN CC(=O)/C=C\CCc1ccoc1 213023904 573770469 /nfs/dbraw/zinc/77/04/69/573770469.db2.gz LGFQEJIIODGRQW-RQOWECAXSA-N 0 0 164.204 2.357 10 30 AEEERN CC(C)(C#N)c1cc(F)c(N)c(F)c1 238096240 573770472 /nfs/dbraw/zinc/77/04/72/573770472.db2.gz BXMICEZHMHJRMP-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN CC(C)(C#N)c1cc(F)c(O)cc1F 238096405 573770544 /nfs/dbraw/zinc/77/05/44/573770544.db2.gz AROCKXZJUSUTAF-UHFFFAOYSA-N 0 0 197.184 2.472 10 30 AEEERN C=CCN(C)c1ccccc1[C@@H](C)O 131152635 573770585 /nfs/dbraw/zinc/77/05/85/573770585.db2.gz MZJDOXXGKWPQQR-SNVBAGLBSA-N 0 0 191.274 2.362 10 30 AEEERN CC[C@@H](C)OCCCS 87080733 573770605 /nfs/dbraw/zinc/77/06/05/573770605.db2.gz OPNMYTMYNRLGEC-SSDOTTSWSA-N 0 0 148.271 2.121 10 30 AEEERN Cc1ccc2c(c1)O[C@H](C#N)[C@@H](C)O2 238509806 573770611 /nfs/dbraw/zinc/77/06/11/573770611.db2.gz NOJGJNRVMAFHDM-LDYMZIIASA-N 0 0 189.214 2.047 10 30 AEEERN Cc1cnc(C(F)F)c(O)c1CC#N 238508592 573770622 /nfs/dbraw/zinc/77/06/22/573770622.db2.gz PPZJMGVGKDRGGE-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CCCOCCCCS 87080460 573770633 /nfs/dbraw/zinc/77/06/33/573770633.db2.gz YDFUAZLPISCPDF-UHFFFAOYSA-N 0 0 148.271 2.123 10 30 AEEERN CC(C)(C#N)c1cc(F)cc(C#N)c1 238096448 573770642 /nfs/dbraw/zinc/77/06/42/573770642.db2.gz TUSGZVWLXCOUOT-UHFFFAOYSA-N 0 0 188.205 2.499 10 30 AEEERN C#CC(C)(C)Oc1ccc(O)cc1 238096403 573770647 /nfs/dbraw/zinc/77/06/47/573770647.db2.gz LKDPALDVRPEFBM-UHFFFAOYSA-N 0 0 176.215 2.183 10 30 AEEERN CC(C)CCCOCCS 87080000 573770655 /nfs/dbraw/zinc/77/06/55/573770655.db2.gz PLEZVCSIRWPIRX-UHFFFAOYSA-N 0 0 162.298 2.369 10 30 AEEERN C[C@H](CS)COCC(F)(F)F 87079032 573770715 /nfs/dbraw/zinc/77/07/15/573770715.db2.gz YVTQLGCLYAPCBA-YFKPBYRVSA-N 0 0 188.214 2.131 10 30 AEEERN Cc1cnc(C(F)F)cc1CC#N 238509536 573770743 /nfs/dbraw/zinc/77/07/43/573770743.db2.gz AXANPUGGQKTBKI-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN CC(C)OCC(C)(C)CS 87079498 573770751 /nfs/dbraw/zinc/77/07/51/573770751.db2.gz JLJXBIGBRVPSAY-UHFFFAOYSA-N 0 0 162.298 2.367 10 30 AEEERN N#Cc1ccc(CNc2cccnc2)o1 135506787 573770757 /nfs/dbraw/zinc/77/07/57/573770757.db2.gz SXJBFUDIXRTQGT-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN CC[C@@H](CS)COC(C)C 87079501 573770767 /nfs/dbraw/zinc/77/07/67/573770767.db2.gz XHQOWSSNSZLREK-MRVPVSSYSA-N 0 0 162.298 2.367 10 30 AEEERN C=CCCOC/C=C/CS 87077929 573770802 /nfs/dbraw/zinc/77/08/02/573770802.db2.gz HQMXWPPKBNPZOO-SNAWJCMRSA-N 0 0 158.266 2.065 10 30 AEEERN CCCCOC[C@@H](C)CS 87080545 573770822 /nfs/dbraw/zinc/77/08/22/573770822.db2.gz MKXYJKHCXSDXBO-MRVPVSSYSA-N 0 0 162.298 2.369 10 30 AEEERN COC[C@@H](CS)C(C)(C)C 87079089 573770844 /nfs/dbraw/zinc/77/08/44/573770844.db2.gz ONRCEDRXLHAKTC-ZETCQYMHSA-N 0 0 162.298 2.225 10 30 AEEERN CC(C)COC[C@H](C)CS 87079413 573770860 /nfs/dbraw/zinc/77/08/60/573770860.db2.gz DDBWUSALMLIJCZ-QMMMGPOBSA-N 0 0 162.298 2.225 10 30 AEEERN CC(C)OCCCCS 87079481 573770895 /nfs/dbraw/zinc/77/08/95/573770895.db2.gz HQPPCPBYDRXIHO-UHFFFAOYSA-N 0 0 148.271 2.121 10 30 AEEERN CCCCOCCCS 87080547 573770929 /nfs/dbraw/zinc/77/09/29/573770929.db2.gz PKAOKRIKQDSECY-UHFFFAOYSA-N 0 0 148.271 2.123 10 30 AEEERN Cc1ccc(C)c(OCC[C@@H]2CO2)c1 308711461 573770931 /nfs/dbraw/zinc/77/09/31/573770931.db2.gz YXSKMCXMRLNUOR-LLVKDONJSA-N 0 0 192.258 2.471 10 30 AEEERN C/C=C/COC/C=C/CS 87080820 573770968 /nfs/dbraw/zinc/77/09/68/573770968.db2.gz XCBDJUFQQPUXIT-MQQKCMAXSA-N 0 0 158.266 2.065 10 30 AEEERN C[C@H](C#N)NC[C@H](C)c1ccccc1 127073496 573770977 /nfs/dbraw/zinc/77/09/77/573770977.db2.gz ZGJCTKACVJXAGS-WDEREUQCSA-N 0 0 188.274 2.292 10 30 AEEERN CC(C)COCCCCS 87079414 573770980 /nfs/dbraw/zinc/77/09/80/573770980.db2.gz JJHJKDXKEWMJJD-UHFFFAOYSA-N 0 0 162.298 2.369 10 30 AEEERN C[C@]12CCCC[C@@H]1CC(=O)[C@@H]2C#N 238509100 573771016 /nfs/dbraw/zinc/77/10/16/573771016.db2.gz YKOYDVMTLGFFNE-YWVKMMECSA-N 0 0 177.247 2.295 10 30 AEEERN N#CC1(CNc2cccs2)CC1 258933289 573771029 /nfs/dbraw/zinc/77/10/29/573771029.db2.gz OUMIDWCFTJEOCC-UHFFFAOYSA-N 0 0 178.260 2.464 10 30 AEEERN Fc1cc(F)cc(OCCS)c1 87080917 573771039 /nfs/dbraw/zinc/77/10/39/573771039.db2.gz ZTXPWRIYNGOSBA-UHFFFAOYSA-N 0 0 190.214 2.273 10 30 AEEERN Fc1ccc(F)c(OCCS)c1 87081270 573771089 /nfs/dbraw/zinc/77/10/89/573771089.db2.gz DGMXILGSAIBBKZ-UHFFFAOYSA-N 0 0 190.214 2.273 10 30 AEEERN Cc1ccc(N)c(C(C)(C)C#N)c1 238508509 573771094 /nfs/dbraw/zinc/77/10/94/573771094.db2.gz PDSUJZAPQQDHML-UHFFFAOYSA-N 0 0 174.247 2.378 10 30 AEEERN CC(=O)C1=C(O)C=C(C)CC1 100132145 573772410 /nfs/dbraw/zinc/77/24/10/573772410.db2.gz KYDMIKMTRJKVAL-FPLPWBNLSA-N 0 0 152.193 2.128 10 30 AEEERN CO[C@@H](C)c1ccccc1C#N 259567236 573773262 /nfs/dbraw/zinc/77/32/62/573773262.db2.gz VVXZJCRIEOORNS-QMMMGPOBSA-N 0 0 161.204 2.266 10 30 AEEERN Cc1ccc([C@@H]2O[C@@H]2C)c(O)c1 238510823 573772425 /nfs/dbraw/zinc/77/24/25/573772425.db2.gz CYGPIDDVIFWYQK-GMSGAONNSA-N 0 0 164.204 2.160 10 30 AEEERN Cc1cc2c(cc1[C@H](C)C=O)OCO2 257875287 573772435 /nfs/dbraw/zinc/77/24/35/573772435.db2.gz UJOJMQBONQCQKC-MRVPVSSYSA-N 0 0 192.214 2.026 10 30 AEEERN Cc1cc(C)c(C[C@@H](N)C#N)c(C)c1 259178604 573773265 /nfs/dbraw/zinc/77/32/65/573773265.db2.gz XBEHYUKGFJEFEA-LLVKDONJSA-N 0 0 188.274 2.005 10 30 AEEERN CC(=O)[C@]1(C)C[C@H](C=O)C(C)(C)C1 238101336 573772476 /nfs/dbraw/zinc/77/24/76/573772476.db2.gz MMSZFZBLLIJVDT-MWLCHTKSSA-N 0 0 182.263 2.217 10 30 AEEERN CCCCN=NC[C@@H](C)CCC#N 308435246 573772493 /nfs/dbraw/zinc/77/24/93/573772493.db2.gz WAWBZVLFGVVZIN-JTQLQIEISA-N 0 0 181.283 2.302 10 30 AEEERN Cc1c(C=O)n(C)c2c(C#N)cccc12 257874976 573772511 /nfs/dbraw/zinc/77/25/11/573772511.db2.gz QZFOGLUEVBVEFA-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN CCCC(=O)C=C(C)C 100112511 573772620 /nfs/dbraw/zinc/77/26/20/573772620.db2.gz FKMGZMDLSNOJPQ-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN SCCCn1ncc2ccccc21 87092888 573772773 /nfs/dbraw/zinc/77/27/73/573772773.db2.gz WEWKGNMDLWKBFO-UHFFFAOYSA-N 0 0 192.287 2.356 10 30 AEEERN CC(C)(C#N)c1cccc(F)c1O 238101226 573772915 /nfs/dbraw/zinc/77/29/15/573772915.db2.gz JMBRNWAHUJGXLV-UHFFFAOYSA-N 0 0 179.194 2.332 10 30 AEEERN COc1cc(Cl)c(C)c(C#N)c1O 258126418 573772940 /nfs/dbraw/zinc/77/29/40/573772940.db2.gz QZWFEJMZGCODSX-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN Cc1nc2ccc([C@@H]3CO3)cc2o1 259180233 573772965 /nfs/dbraw/zinc/77/29/65/573772965.db2.gz HEAJEABOTDYHAS-JTQLQIEISA-N 0 0 175.187 2.208 10 30 AEEERN CC(C)(C#N)CNc1cccnc1 258932231 573773029 /nfs/dbraw/zinc/77/30/29/573773029.db2.gz OYROBXXONAEGTQ-UHFFFAOYSA-N 0 0 175.235 2.043 10 30 AEEERN CC(C)(C#N)c1ccc(O)c(F)c1F 238100209 573773051 /nfs/dbraw/zinc/77/30/51/573773051.db2.gz OPXKIAZXLDFWPJ-UHFFFAOYSA-N 0 0 197.184 2.472 10 30 AEEERN Cc1ccc2c(/C=N\O)c[nH]c2c1 100143978 573773062 /nfs/dbraw/zinc/77/30/62/573773062.db2.gz FLQQHUKFWSTUPY-SDQBBNPISA-N 0 0 174.203 2.284 10 30 AEEERN C=C1[C@H](C=O)[C@@H]1C(C)(C)C 238100345 573773149 /nfs/dbraw/zinc/77/31/49/573773149.db2.gz WHJCRFOPFYAPMS-JGVFFNPUSA-N 0 0 138.210 2.034 10 30 AEEERN CO[C@H](C)c1ccccc1C#N 259567234 573773173 /nfs/dbraw/zinc/77/31/73/573773173.db2.gz VVXZJCRIEOORNS-MRVPVSSYSA-N 0 0 161.204 2.266 10 30 AEEERN C#CCNc1ccccc1CC=C 238099674 573773204 /nfs/dbraw/zinc/77/32/04/573773204.db2.gz NIBUTUUVAZAUID-UHFFFAOYSA-N 0 0 171.243 2.460 10 30 AEEERN C[C@H](CS)Cn1cc(Cl)cn1 87093636 573773243 /nfs/dbraw/zinc/77/32/43/573773243.db2.gz HWBJPSOVJWISDG-LURJTMIESA-N 0 0 190.699 2.102 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)c1ccc2c(c1)CCO2 258931805 573774203 /nfs/dbraw/zinc/77/42/03/573774203.db2.gz ATGFXJWJWSVMRF-RNCFNFMXSA-N 0 0 199.253 2.423 10 30 AEEERN Cc1cccc2[nH]cc(/C=N\O)c12 100110257 573774254 /nfs/dbraw/zinc/77/42/54/573774254.db2.gz WCBZFYGYVHUSEI-SDQBBNPISA-N 0 0 174.203 2.284 10 30 AEEERN CCC(CC)C(=O)O[C@H](C)CC#N 308436352 573774261 /nfs/dbraw/zinc/77/42/61/573774261.db2.gz WRYXDXVSJLESQP-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C#Cc1ccc(-c2ccccc2C)nn1 238499364 573774287 /nfs/dbraw/zinc/77/42/87/573774287.db2.gz OBCBTHAWRQHQOQ-UHFFFAOYSA-N 0 0 194.237 2.433 10 30 AEEERN COCCSCCCCS 87097075 573774317 /nfs/dbraw/zinc/77/43/17/573774317.db2.gz HPUNDCRMTGFIFI-UHFFFAOYSA-N 0 0 180.338 2.076 10 30 AEEERN CSCC1(CS)CC1 87098409 573774345 /nfs/dbraw/zinc/77/43/45/573774345.db2.gz FCCSVYUYLKYXEO-UHFFFAOYSA-N 0 0 148.296 2.059 10 30 AEEERN Cc1cccc([C@@H]2O[C@@H]2C)c1O 238510847 573774378 /nfs/dbraw/zinc/77/43/78/573774378.db2.gz OSPQDAJDCJQFFI-GMSGAONNSA-N 0 0 164.204 2.160 10 30 AEEERN C=C(C)C[C@@](C)(O)c1ccccc1N 238099589 573774399 /nfs/dbraw/zinc/77/43/99/573774399.db2.gz FWDFJWDPFWPXCI-GFCCVEGCSA-N 0 0 191.274 2.443 10 30 AEEERN C=C(CC=O)c1ccccc1F 258127973 573774443 /nfs/dbraw/zinc/77/44/43/573774443.db2.gz IVLDKOWKQBTYSC-UHFFFAOYSA-N 0 0 164.179 2.428 10 30 AEEERN C[C@H]1C[C@@]1(C#N)c1ccc2c(c1)CCO2 258931809 573774540 /nfs/dbraw/zinc/77/45/40/573774540.db2.gz ATGFXJWJWSVMRF-ZANVPECISA-N 0 0 199.253 2.423 10 30 AEEERN C[C@H]1Oc2ccccc2[C@@H]1C#N 238510743 573774559 /nfs/dbraw/zinc/77/45/59/573774559.db2.gz IJQNCOAPXCXZJN-VXNVDRBHSA-N 0 0 159.188 2.075 10 30 AEEERN C=C[C@H](CC)OC(=O)c1ccoc1 308436136 573774617 /nfs/dbraw/zinc/77/46/17/573774617.db2.gz WNWPMUTXVPXOOX-SECBINFHSA-N 0 0 180.203 2.401 10 30 AEEERN SCCSCc1ccco1 87097002 573774627 /nfs/dbraw/zinc/77/46/27/573774627.db2.gz ODNXYHXIECCNCB-UHFFFAOYSA-N 0 0 174.290 2.443 10 30 AEEERN Cc1ncn(CC2(CS)CC2)c1C 87092794 573774684 /nfs/dbraw/zinc/77/46/84/573774684.db2.gz VNIZCDMJWWOHQZ-UHFFFAOYSA-N 0 0 196.319 2.210 10 30 AEEERN Cc1cc(C)c(C[C@H](N)C#N)c(C)c1 259178606 573774695 /nfs/dbraw/zinc/77/46/95/573774695.db2.gz XBEHYUKGFJEFEA-NSHDSACASA-N 0 0 188.274 2.005 10 30 AEEERN SC/C=C/Cn1cc(Cl)cn1 87093614 573774770 /nfs/dbraw/zinc/77/47/70/573774770.db2.gz DIWXIBFLYYYUKL-OWOJBTEDSA-N 0 0 188.683 2.023 10 30 AEEERN Cc1nc2ccc([C@H]3CO3)cc2o1 259180235 573774785 /nfs/dbraw/zinc/77/47/85/573774785.db2.gz HEAJEABOTDYHAS-SNVBAGLBSA-N 0 0 175.187 2.208 10 30 AEEERN CSCC1(CS)CCC1 87098404 573774856 /nfs/dbraw/zinc/77/48/56/573774856.db2.gz GFLYINPYYBASQF-UHFFFAOYSA-N 0 0 162.323 2.450 10 30 AEEERN Cc1c(Cl)cnn1CCCS 87094743 573774873 /nfs/dbraw/zinc/77/48/73/573774873.db2.gz QBCQPSLMLJRKRW-UHFFFAOYSA-N 0 0 190.699 2.165 10 30 AEEERN CN(CS)c1cccs1 258934286 573774885 /nfs/dbraw/zinc/77/48/85/573774885.db2.gz PLJDMAWHYCJSQV-UHFFFAOYSA-N 0 0 159.279 2.072 10 30 AEEERN Cc1ncn(C[C@@H](C)CS)c1C 87092808 573774906 /nfs/dbraw/zinc/77/49/06/573774906.db2.gz CENBFNJBMFLTLN-SSDOTTSWSA-N 0 0 184.308 2.066 10 30 AEEERN C=C(C)C[C@H](O)C1=CCCC1 238102055 573774923 /nfs/dbraw/zinc/77/49/23/573774923.db2.gz NCLQLPPEXIBHFF-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H]1C[C@]1(C#N)c1ccc2c(c1)CCO2 258931802 573774955 /nfs/dbraw/zinc/77/49/55/573774955.db2.gz ATGFXJWJWSVMRF-NOZJJQNGSA-N 0 0 199.253 2.423 10 30 AEEERN CCSC/C=C/CS 87097215 573776260 /nfs/dbraw/zinc/77/62/60/573776260.db2.gz PEHLBKIDFPHIKG-ONEGZZNKSA-N 0 0 148.296 2.226 10 30 AEEERN CCSCC1(CS)CC1 87097219 573776281 /nfs/dbraw/zinc/77/62/81/573776281.db2.gz HCSIMBFKNKLISW-UHFFFAOYSA-N 0 0 162.323 2.450 10 30 AEEERN Cc1ccn(CC2(CS)CCC2)n1 87094932 573776310 /nfs/dbraw/zinc/77/63/10/573776310.db2.gz OEAVZHHRKPEGNR-UHFFFAOYSA-N 0 0 196.319 2.292 10 30 AEEERN Cc1ccnn1CC1(CS)CCC1 87094873 573776361 /nfs/dbraw/zinc/77/63/61/573776361.db2.gz XBZVKFQQOUBVEE-UHFFFAOYSA-N 0 0 196.319 2.292 10 30 AEEERN Cc1nn(C[C@H](C)CS)c(C)c1C 87093757 573776376 /nfs/dbraw/zinc/77/63/76/573776376.db2.gz RPPCXMMJTJDLAO-ZETCQYMHSA-N 0 0 198.335 2.374 10 30 AEEERN Cc1nn(CCCS)c(C)c1C 87093738 573776380 /nfs/dbraw/zinc/77/63/80/573776380.db2.gz LQPWEKJGSNSGPV-UHFFFAOYSA-N 0 0 184.308 2.128 10 30 AEEERN SCCSc1nccs1 87098434 573776445 /nfs/dbraw/zinc/77/64/45/573776445.db2.gz LNSNZEQNIXZDLK-UHFFFAOYSA-N 0 0 177.319 2.165 10 30 AEEERN Cc1ccn(CC(C)(C)CS)n1 87094911 573776450 /nfs/dbraw/zinc/77/64/50/573776450.db2.gz GSXNFPUPCXESOU-UHFFFAOYSA-N 0 0 184.308 2.148 10 30 AEEERN C=CC[C@H](O)C(=C)C#C[Si](C)(C)C 238512791 573776552 /nfs/dbraw/zinc/77/65/52/573776552.db2.gz FRSDHOCXJMZDFW-NSHDSACASA-N 0 0 194.350 2.360 10 30 AEEERN CC[C@@H]1CCC(O)=C1C(C)=O 100206811 573776656 /nfs/dbraw/zinc/77/66/56/573776656.db2.gz BVJKMFYPTKOOIZ-SSDOTTSWSA-N 0 0 154.209 2.208 10 30 AEEERN Cc1cnc(C=O)c(C(F)F)c1C#N 238513860 573776674 /nfs/dbraw/zinc/77/66/74/573776674.db2.gz ODQWROMMFNZLOW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN Cc1ncn(C[C@H](C)CS)c1C 87092810 573776773 /nfs/dbraw/zinc/77/67/73/573776773.db2.gz CENBFNJBMFLTLN-ZETCQYMHSA-N 0 0 184.308 2.066 10 30 AEEERN C=C1C[C@@]2(C(C)=O)CCC[C@H]12 238106329 573776794 /nfs/dbraw/zinc/77/67/94/573776794.db2.gz OWVFHTRWIABDBS-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN SCCCSc1ccccn1 87097384 573776800 /nfs/dbraw/zinc/77/68/00/573776800.db2.gz KIKDCFWDPRAMRT-UHFFFAOYSA-N 0 0 185.317 2.494 10 30 AEEERN Cc1cc2c(c(CC#N)c1C)OCO2 258118590 573776818 /nfs/dbraw/zinc/77/68/18/573776818.db2.gz QHUDBPSNFWDSHN-UHFFFAOYSA-N 0 0 189.214 2.098 10 30 AEEERN O=C[C@H]1CCCc2c(F)cccc21 108369210 573776852 /nfs/dbraw/zinc/77/68/52/573776852.db2.gz HODJRDGAZKCTIU-MRVPVSSYSA-N 0 0 178.206 2.445 10 30 AEEERN CC(C)SCCOCCS 87097710 573776865 /nfs/dbraw/zinc/77/68/65/573776865.db2.gz DJWOXIIPQJCUPV-UHFFFAOYSA-N 0 0 180.338 2.074 10 30 AEEERN Cc1nn(C[C@@H](C)CS)c(C)c1C 87093756 573776917 /nfs/dbraw/zinc/77/69/17/573776917.db2.gz RPPCXMMJTJDLAO-SSDOTTSWSA-N 0 0 198.335 2.374 10 30 AEEERN O=C[C@H]1CCCc2cc(F)ccc21 108369224 573776949 /nfs/dbraw/zinc/77/69/49/573776949.db2.gz RXIACMKUCAUOLS-SECBINFHSA-N 0 0 178.206 2.445 10 30 AEEERN Cc1ccc([C@@]2(C)C[C@@H]2C#N)o1 258936069 573777048 /nfs/dbraw/zinc/77/70/48/573777048.db2.gz BOYRGHFYKGTVOR-SCZZXKLOSA-N 0 0 161.204 2.389 10 30 AEEERN CC(C)C1=CC(=O)[C@@H]2[C@H]1C2(C)C 238107456 573777055 /nfs/dbraw/zinc/77/70/55/573777055.db2.gz ANZBILKKGORUFP-VHSXEESVSA-N 0 0 164.248 2.424 10 30 AEEERN C[C@H](C#N)CSc1ccncc1 87110256 573778330 /nfs/dbraw/zinc/77/83/30/573778330.db2.gz IEEVSWHTZAXOCS-MRVPVSSYSA-N 0 0 178.260 2.333 10 30 AEEERN C[C@@H]1[C@H](C=O)[C@@H]1CC1CCC1 238512649 573778445 /nfs/dbraw/zinc/77/84/45/573778445.db2.gz RBLNWIKMGVYMNG-SFGNSQDASA-N 0 0 152.237 2.258 10 30 AEEERN CC[C@H]1CCCC[C@H]1C=NN 401901463 573778521 /nfs/dbraw/zinc/77/85/21/573778521.db2.gz MORNPOKUOAVGKH-IUCAKERBSA-N 0 0 154.257 2.147 10 30 AEEERN C=C[C@@H]1CC=CC[C@@H]1CC=O 238106940 573778570 /nfs/dbraw/zinc/77/85/70/573778570.db2.gz WNLPXMJASJENCN-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN C[Si](C)(C)C#CC(=O)CC1CC1 238512936 573778600 /nfs/dbraw/zinc/77/86/00/573778600.db2.gz JZJJRCVFCGOXMO-UHFFFAOYSA-N 0 0 180.323 2.236 10 30 AEEERN C=C[C@@H]1CC[C@H]2C(=O)CC[C@@H]12 238108420 573778656 /nfs/dbraw/zinc/77/86/56/573778656.db2.gz IJVJWLNYDMGSKD-HRDYMLBCSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)/[NH+]=C/c1ccc(C(=O)[O-])cc1 238109049 573778720 /nfs/dbraw/zinc/77/87/20/573778720.db2.gz CYBRTHGOYOJRPF-KPKJPENVSA-N 0 0 191.230 2.212 10 30 AEEERN CC(C)(C=O)CNc1ccccc1 238108990 573778781 /nfs/dbraw/zinc/77/87/81/573778781.db2.gz IINOUGLJLWSUFU-UHFFFAOYSA-N 0 0 177.247 2.324 10 30 AEEERN Fc1cccc(SC[C@H]2CO2)c1 87112027 573778935 /nfs/dbraw/zinc/77/89/35/573778935.db2.gz ATOBTGHDNUZYKP-MRVPVSSYSA-N 0 0 184.235 2.317 10 30 AEEERN C=C[C@@H]1CC/C=C/CCC1=O 238106848 573778972 /nfs/dbraw/zinc/77/89/72/573778972.db2.gz BWXODHAKLFNHHZ-CDAZIORVSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@H](C)[C@H](CC)CO 715011131 573781289 /nfs/dbraw/zinc/78/12/89/573781289.db2.gz SEYYCXYZVZRJTO-DTWKUNHWSA-N 0 0 142.242 2.217 10 30 AEEERN O=CCn1ccc2c(Cl)cccc21 87109944 573781297 /nfs/dbraw/zinc/78/12/97/573781297.db2.gz RAHNJMQUTJFQGF-UHFFFAOYSA-N 0 0 193.633 2.494 10 30 AEEERN Fc1ccc(NCS)c(F)c1 258939894 573781349 /nfs/dbraw/zinc/78/13/49/573781349.db2.gz QBJBMMLPLNEZBZ-UHFFFAOYSA-N 0 0 175.203 2.264 10 30 AEEERN C=C[C@@H]1C[C@H]1C1=CC(=O)[C@@H]2C=C[C@@H]12 238110387 573781415 /nfs/dbraw/zinc/78/14/15/573781415.db2.gz ZVMHLLGRLIHBNB-ZYUZMQFOSA-N 0 0 172.227 2.120 10 30 AEEERN CC(C)(C#Cc1ccccc1)CO 238109613 573781429 /nfs/dbraw/zinc/78/14/29/573781429.db2.gz YSDWJEPZRXBRSM-UHFFFAOYSA-N 0 0 174.243 2.057 10 30 AEEERN CCc1nc(C(C)C)oc1CC#N 259620049 573781448 /nfs/dbraw/zinc/78/14/48/573781448.db2.gz GTROGKWNDIGGGT-UHFFFAOYSA-N 0 0 178.235 2.426 10 30 AEEERN CC(C)(CO)CC#C[Si](C)(C)C 238111745 573781501 /nfs/dbraw/zinc/78/15/01/573781501.db2.gz YZWNDABZNJTPRW-UHFFFAOYSA-N 0 0 184.355 2.276 10 30 AEEERN C=C[C@@H]1C[C@@]1(C=O)c1ccccc1 238109978 573781510 /nfs/dbraw/zinc/78/15/10/573781510.db2.gz URKFWBZVHVSUJR-PWSUYJOCSA-N 0 0 172.227 2.329 10 30 AEEERN C[C@H]1O[C@@H]1CC(=O)c1ccccc1 238504385 573781568 /nfs/dbraw/zinc/78/15/68/573781568.db2.gz SABVJEYHPMORBY-LDYMZIIASA-N 0 0 176.215 2.047 10 30 AEEERN CC(C)C1=COC(C)(C)CC1=O 238110381 573781574 /nfs/dbraw/zinc/78/15/74/573781574.db2.gz YZZMMTNAWSBGRD-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@H]1c2ccccc2C[C@H]1C=O 238112300 573781589 /nfs/dbraw/zinc/78/15/89/573781589.db2.gz BCDNDZCPRXYZAA-WDEREUQCSA-N 0 0 172.227 2.327 10 30 AEEERN CCCCC(=O)C=C(C)O 100219134 573781719 /nfs/dbraw/zinc/78/17/19/573781719.db2.gz UARMDOMTJNFFCI-SOFGYWHQSA-N 0 0 142.198 2.208 10 30 AEEERN N#CC[C@H]1CCCc2csnc21 259620079 573781732 /nfs/dbraw/zinc/78/17/32/573781732.db2.gz GUGDGJOKRSVRJW-SSDOTTSWSA-N 0 0 178.260 2.477 10 30 AEEERN CCOc1ccc(F)cc1/C(C)=N/O 87111621 573781753 /nfs/dbraw/zinc/78/17/53/573781753.db2.gz RYTFJUNEYRYXFG-KPKJPENVSA-N 0 0 197.209 2.423 10 30 AEEERN C=C[C@@H]1C[C@H]1C1=CC(=O)CCC1 238110362 573781766 /nfs/dbraw/zinc/78/17/66/573781766.db2.gz UCYPWSYSMRULKS-LDYMZIIASA-N 0 0 162.232 2.488 10 30 AEEERN Cc1cc2n(c1CC#N)CCCC2 259570444 573781810 /nfs/dbraw/zinc/78/18/10/573781810.db2.gz DFAWVBDUXNHGDZ-UHFFFAOYSA-N 0 0 174.247 2.199 10 30 AEEERN CC[N@H+](CCC#N)[C@@H]1CC[C@@H](C)C1 308431631 573781827 /nfs/dbraw/zinc/78/18/27/573781827.db2.gz UFLLCJJAVGFENK-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)[C@]1(c2ccoc2)O[C@@H]1C=O 238109970 573781853 /nfs/dbraw/zinc/78/18/53/573781853.db2.gz FQHKGOWXGITDOW-MWLCHTKSSA-N 0 0 194.230 2.119 10 30 AEEERN C[C@@]1(c2ccccc2O)OC1(F)F 238504153 573783024 /nfs/dbraw/zinc/78/30/24/573783024.db2.gz CJWMOTJDZAJRSW-QMMMGPOBSA-N 0 0 186.157 2.230 10 30 AEEERN CC(C)(C)[C@]1(c2ccoc2)O[C@H]1C=O 238109996 573783085 /nfs/dbraw/zinc/78/30/85/573783085.db2.gz FQHKGOWXGITDOW-GXSJLCMTSA-N 0 0 194.230 2.119 10 30 AEEERN C=CC[C@@H](C)[C@H](O)COC(C)(C)C 715011508 573783181 /nfs/dbraw/zinc/78/31/81/573783181.db2.gz UIKXCCJXKFEEKF-NXEZZACHSA-N 0 0 186.295 2.375 10 30 AEEERN C=C[C@H]1c2ccccc2C[C@@H]1C=O 238111977 573783193 /nfs/dbraw/zinc/78/31/93/573783193.db2.gz BCDNDZCPRXYZAA-GHMZBOCLSA-N 0 0 172.227 2.327 10 30 AEEERN FC(F)COCCCCCS 131100758 573783212 /nfs/dbraw/zinc/78/32/12/573783212.db2.gz AQIZKVAAIMSWBB-UHFFFAOYSA-N 0 0 184.251 2.368 10 30 AEEERN CC(C)C1=C[C@@H](C)CC1=O 238110546 573783269 /nfs/dbraw/zinc/78/32/69/573783269.db2.gz QPXUNDHYKSIMTM-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)COC(C)(C)C 715011512 573783271 /nfs/dbraw/zinc/78/32/71/573783271.db2.gz UIKXCCJXKFEEKF-ZJUUUORDSA-N 0 0 186.295 2.375 10 30 AEEERN Cc1cc(C(C)(C)C)nc(CC#N)n1 259186387 573783349 /nfs/dbraw/zinc/78/33/49/573783349.db2.gz VIZRXYJJEOBHGR-UHFFFAOYSA-N 0 0 189.262 2.149 10 30 AEEERN C=C(C)[C@@H](C(N)=S)c1ccccn1 238110592 573783454 /nfs/dbraw/zinc/78/34/54/573783454.db2.gz JZKLOQHADQMWQI-SECBINFHSA-N 0 0 192.287 2.027 10 30 AEEERN C[C@]12CCC(=O)C[C@@H]1CC[C@@H]2C#N 238502697 573783618 /nfs/dbraw/zinc/78/36/18/573783618.db2.gz QCNSXVOTHKHYNX-NGZCFLSTSA-N 0 0 177.247 2.295 10 30 AEEERN Cc1ccc2c(c1)C[C@@H](C=O)S2 238502955 573783724 /nfs/dbraw/zinc/78/37/24/573783724.db2.gz VGRNCAMXPCCLSI-VIFPVBQESA-N 0 0 178.256 2.211 10 30 AEEERN C=C[C@@H]1C[C@H]1C(=O)Nc1ccccc1 238110305 573783752 /nfs/dbraw/zinc/78/37/52/573783752.db2.gz IBTXYQWPWFCSIU-MWLCHTKSSA-N 0 0 187.242 2.447 10 30 AEEERN C=C[C@@H]1C[C@@H]1C(=O)C1CCC1 238109202 573783816 /nfs/dbraw/zinc/78/38/16/573783816.db2.gz HBPUYAPGQLHOCT-APPZFPTMSA-N 0 0 150.221 2.178 10 30 AEEERN CC=CC(=O)[C@H]1CCc2cccnc21 308431960 573783827 /nfs/dbraw/zinc/78/38/27/573783827.db2.gz FJUVCVJHONIZAC-WUWIAWFRSA-N 0 0 187.242 2.257 10 30 AEEERN CC(=O)c1sccc1CC#N 259570224 573783834 /nfs/dbraw/zinc/78/38/34/573783834.db2.gz DCEWHYZTJMAPSX-UHFFFAOYSA-N 0 0 165.217 2.017 10 30 AEEERN Cc1ccc(C(C)C)cc1O 100264496 573786326 /nfs/dbraw/zinc/78/63/26/573786326.db2.gz ASUATQVCRAMYLO-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C/C=C\[C@@H](O)C#CCCCC 215402743 573786616 /nfs/dbraw/zinc/78/66/16/573786616.db2.gz RLRXTIZYQUFVBM-NAXAJZLFSA-N 0 0 152.237 2.117 10 30 AEEERN CC[N@H+](CCC#N)[C@H]1CC[C@H](C)C1 308431633 573786638 /nfs/dbraw/zinc/78/66/38/573786638.db2.gz UFLLCJJAVGFENK-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC(=O)C=CNc1ccc(C#N)cc1 238114842 573786649 /nfs/dbraw/zinc/78/66/49/573786649.db2.gz HOVCBXOKQKUSKM-VOTSOKGWSA-N 0 0 186.214 2.073 10 30 AEEERN C#C[C@@H](CC)OC(=O)C(CC)CC 308437375 573786671 /nfs/dbraw/zinc/78/66/71/573786671.db2.gz XHAJUQDMPSKCNQ-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN CC(C)=CCC[C@@](C)(O)CC=O 33839860 573786694 /nfs/dbraw/zinc/78/66/94/573786694.db2.gz DUSOFANQAJQCRP-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN CC(C)[C@H](CS)COCC(F)F 131102667 573786757 /nfs/dbraw/zinc/78/67/57/573786757.db2.gz AIBVPXVTFLFAAB-ZETCQYMHSA-N 0 0 198.278 2.470 10 30 AEEERN N#CCCC1(c2cccs2)COC1 258514603 573786773 /nfs/dbraw/zinc/78/67/73/573786773.db2.gz GHTIKLUVVAOHAF-UHFFFAOYSA-N 0 0 193.271 2.320 10 30 AEEERN CC(C)(CS)COCC(F)F 131100305 573786860 /nfs/dbraw/zinc/78/68/60/573786860.db2.gz PKNXDKHYRYXIKI-UHFFFAOYSA-N 0 0 184.251 2.224 10 30 AEEERN C=C(CO)C1([Si](C)(C)C)CC1 238520225 573792976 /nfs/dbraw/zinc/79/29/76/573792976.db2.gz ZFLVOCMNUAQQKC-UHFFFAOYSA-N 0 0 170.328 2.407 10 30 AEEERN C=C[C@H]1C=C[C@H](CC(C)=O)C1 238119550 573792985 /nfs/dbraw/zinc/79/29/85/573792985.db2.gz SEOLTBAYUUIMFV-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN C=CSCCCCC=O 238104805 573792158 /nfs/dbraw/zinc/79/21/58/573792158.db2.gz BQJJZOHGWLHTNF-UHFFFAOYSA-N 0 0 144.239 2.232 10 30 AEEERN C=C(C)C[C@H](O)c1cc(O)ccc1O 238102704 573792172 /nfs/dbraw/zinc/79/21/72/573792172.db2.gz QXSFTXZCENCUMA-NSHDSACASA-N 0 0 194.230 2.097 10 30 AEEERN C[C@@H](F)[C@@H](C#N)C1CCC1 258426180 573792411 /nfs/dbraw/zinc/79/24/11/573792411.db2.gz CKMKJWDWAQKURC-HTRCEHHLSA-N 0 0 141.189 2.284 10 30 AEEERN C=CCCCNC(=O)C[C@H]1C[C@H]1C 393562891 573792448 /nfs/dbraw/zinc/79/24/48/573792448.db2.gz BSTMEQPIDKGNLM-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN Cc1c(C#N)ccc2oncc12 238520847 573792496 /nfs/dbraw/zinc/79/24/96/573792496.db2.gz KVDDZISRVPVMCX-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN C=CCCCNC(=O)C[C@H]1C[C@@H]1C 393562895 573792664 /nfs/dbraw/zinc/79/26/64/573792664.db2.gz BSTMEQPIDKGNLM-VHSXEESVSA-N 0 0 181.279 2.115 10 30 AEEERN N#Cc1nc2c(Cl)cccc2o1 306712017 573792685 /nfs/dbraw/zinc/79/26/85/573792685.db2.gz YOFSBVDMLNJWHW-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN C=C[C@@H](C=O)COCc1ccccc1 238119728 573792693 /nfs/dbraw/zinc/79/26/93/573792693.db2.gz BZQJJPIDFXLJHI-NSHDSACASA-N 0 0 190.242 2.204 10 30 AEEERN Cc1nc(Cl)c2occ(C#N)c2n1 238520812 573792725 /nfs/dbraw/zinc/79/27/25/573792725.db2.gz HQDRFOPWTMFBKT-UHFFFAOYSA-N 0 0 193.593 2.056 10 30 AEEERN C[Si](C)(C)C1(C#CC=O)CC1 238520188 573792739 /nfs/dbraw/zinc/79/27/39/573792739.db2.gz LSFUPUAJIACBRJ-UHFFFAOYSA-N 0 0 166.296 2.061 10 30 AEEERN CCC(=NOC)[C@H](O)c1ccccc1 308442008 573792779 /nfs/dbraw/zinc/79/27/79/573792779.db2.gz GCTCACFCOICPCS-LLVKDONJSA-N 0 0 193.246 2.132 10 30 AEEERN CC=CC(=O)Cc1ccc(CC)cn1 308440901 573792830 /nfs/dbraw/zinc/79/28/30/573792830.db2.gz ZOHMVSZQEXDYNS-HYXAFXHYSA-N 0 0 189.258 2.332 10 30 AEEERN C=C[C@H](CC=O)OCc1ccccc1 238119415 573794122 /nfs/dbraw/zinc/79/41/22/573794122.db2.gz UBDWAUKGPGWHCJ-GFCCVEGCSA-N 0 0 190.242 2.347 10 30 AEEERN C[C@H](F)[C@@H](C#N)C1CCC1 258426185 573793494 /nfs/dbraw/zinc/79/34/94/573793494.db2.gz CKMKJWDWAQKURC-POYBYMJQSA-N 0 0 141.189 2.284 10 30 AEEERN CC(C)(C#N)c1cccc2c1OCO2 238102478 573793566 /nfs/dbraw/zinc/79/35/66/573793566.db2.gz XVDDWLBUQSVDIX-UHFFFAOYSA-N 0 0 189.214 2.216 10 30 AEEERN Cc1nc(CC#N)[nH]c1C1CCCC1 258514885 573793596 /nfs/dbraw/zinc/79/35/96/573793596.db2.gz GMRQIYKMBWNLHG-UHFFFAOYSA-N 0 0 189.262 2.442 10 30 AEEERN C[C@H](F)[C@H](C#N)C1CCC1 258426193 573793607 /nfs/dbraw/zinc/79/36/07/573793607.db2.gz CKMKJWDWAQKURC-XPUUQOCRSA-N 0 0 141.189 2.284 10 30 AEEERN C#CCCC(=O)[C@@H](OC)C(C)(C)C 132211096 573793618 /nfs/dbraw/zinc/79/36/18/573793618.db2.gz HLRYDPPBFWGPNF-SNVBAGLBSA-N 0 0 182.263 2.030 10 30 AEEERN N#Cc1cc2c(C#N)cc(N)cc2s1 306716050 573793691 /nfs/dbraw/zinc/79/36/91/573793691.db2.gz FNVMYSMJQMHRCF-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C#C[C@H]1[C@@H](CCC(C)=O)C1(C)C 238103469 573793778 /nfs/dbraw/zinc/79/37/78/573793778.db2.gz CCSQBDGJZXSDTN-VHSXEESVSA-N 0 0 164.248 2.261 10 30 AEEERN Cc1c(C#N)ccc2sncc12 238520923 573793913 /nfs/dbraw/zinc/79/39/13/573793913.db2.gz SGSJQCJOWUCRJU-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN CC#CCCC(=O)[C@@H](OC)C(C)(C)C 132206218 573793921 /nfs/dbraw/zinc/79/39/21/573793921.db2.gz WPLTZTIIHHLLSC-LLVKDONJSA-N 0 0 196.290 2.420 10 30 AEEERN C/C=C\COC[C@@H](C)CS 211643667 573793954 /nfs/dbraw/zinc/79/39/54/573793954.db2.gz WCJYAYUJGRGWEX-TUUFMJSCSA-N 0 0 160.282 2.145 10 30 AEEERN CCc1ccc(C#N)c(Cl)n1 72204494 573798933 /nfs/dbraw/zinc/79/89/33/573798933.db2.gz NGGUUYGWPNBCAH-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN Cc1ccc2c(C#N)c(C)[nH]c2c1O 238514488 573799003 /nfs/dbraw/zinc/79/90/03/573799003.db2.gz QNYDKRBUUUJUAN-UHFFFAOYSA-N 0 0 186.214 2.362 10 30 AEEERN C=C[C@H](C=O)COCc1ccccc1 238105743 573799150 /nfs/dbraw/zinc/79/91/50/573799150.db2.gz BZQJJPIDFXLJHI-LLVKDONJSA-N 0 0 190.242 2.204 10 30 AEEERN CC(C)=C1C(C)=C(C)C(=O)[C@@H]1CC=O 238125763 573799174 /nfs/dbraw/zinc/79/91/74/573799174.db2.gz FWMPNZISPIGRFG-SNVBAGLBSA-N 0 0 192.258 2.447 10 30 AEEERN O=CC[C@H]1COc2cccc(Cl)c21 258130920 573799247 /nfs/dbraw/zinc/79/92/47/573799247.db2.gz PUPFINWYBRBVOA-ZETCQYMHSA-N 0 0 196.633 2.405 10 30 AEEERN CC(C)(CO)CN=Nc1ccccc1 238125285 573799298 /nfs/dbraw/zinc/79/92/98/573799298.db2.gz SIBGKSFYLLIJLJ-XYOKQWHBSA-N 0 0 192.262 2.103 10 30 AEEERN C=C[C@@H]1c2ccccc2C[C@H]1C=O 238125429 573799342 /nfs/dbraw/zinc/79/93/42/573799342.db2.gz BCDNDZCPRXYZAA-QWRGUYRKSA-N 0 0 172.227 2.327 10 30 AEEERN C/C=C/C=C\C[NH2+][C@@H](CC)CC#N 308438621 573799350 /nfs/dbraw/zinc/79/93/50/573799350.db2.gz XXVDAUHWLMBRNV-BQJBQUMCSA-N 0 0 178.279 2.401 10 30 AEEERN Cc1nc(C=O)cc(C#N)c1C(F)F 238514610 573799404 /nfs/dbraw/zinc/79/94/04/573799404.db2.gz JBAAEANIKPALJC-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C#C[C@@H](C)OC(=O)CC(CC)CC 308442888 573799417 /nfs/dbraw/zinc/79/94/17/573799417.db2.gz ZPYFBDHEGCYQRS-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN N#CCCc1cccc2ccc(=O)oc12 214965961 573799489 /nfs/dbraw/zinc/79/94/89/573799489.db2.gz ZUHMSHIZGIQQKB-UHFFFAOYSA-N 0 0 199.209 2.249 10 30 AEEERN C[C@]1(C2CCC2)C[C@@H]1C#N 258951690 573799491 /nfs/dbraw/zinc/79/94/91/573799491.db2.gz FDDDWNIAHYHMAG-RKDXNWHRSA-N 0 0 135.210 2.336 10 30 AEEERN N#CCNc1ccc(-c2c[nH]cn2)cc1 308732928 573799496 /nfs/dbraw/zinc/79/94/96/573799496.db2.gz BXOSFHYRBQAUMO-UHFFFAOYSA-N 0 0 198.229 2.012 10 30 AEEERN Cc1nc(C=O)cc(C(F)F)c1C#N 238514697 573799654 /nfs/dbraw/zinc/79/96/54/573799654.db2.gz ZTNWKICFOCIMJM-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN N#CCc1ccnc(Cl)c1Cl 238521219 573799704 /nfs/dbraw/zinc/79/97/04/573799704.db2.gz XBHQMTDCHXXGMS-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN C=C[C@@H]1c2ccccc2C[C@@H]1C=O 238125106 573799735 /nfs/dbraw/zinc/79/97/35/573799735.db2.gz BCDNDZCPRXYZAA-MNOVXSKESA-N 0 0 172.227 2.327 10 30 AEEERN Cc1ccc([C@@H](N)C#N)c(C)c1C 258950820 573799832 /nfs/dbraw/zinc/79/98/32/573799832.db2.gz BBRMXOGKUZNCFR-NSHDSACASA-N 0 0 174.247 2.135 10 30 AEEERN C[C@]12CCC[C@@H]1CC=CC2=O 238514637 573799840 /nfs/dbraw/zinc/79/98/40/573799840.db2.gz GVYPRINVENBDIT-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C/C=C/C=C/C[NH2+][C@H](CC)CC#N 308438622 573799858 /nfs/dbraw/zinc/79/98/58/573799858.db2.gz XXVDAUHWLMBRNV-MQLBMUFWSA-N 0 0 178.279 2.401 10 30 AEEERN C=C[C@H]1CC(=O)C[C@]2(C=CCC2)O1 238125761 573799917 /nfs/dbraw/zinc/79/99/17/573799917.db2.gz BXFBRJQTJMUSFB-WDEREUQCSA-N 0 0 178.231 2.009 10 30 AEEERN C=C[C@H](O)c1cc(C)c(O)c(C)c1 238514344 573800000 /nfs/dbraw/zinc/80/00/00/573800000.db2.gz VKANCPSUCXTEEA-JTQLQIEISA-N 0 0 178.231 2.228 10 30 AEEERN CC=CC(=O)Cc1ccn(C(C)C)n1 308437614 573800050 /nfs/dbraw/zinc/80/00/50/573800050.db2.gz SSULYKCICIJBOX-PLNGDYQASA-N 0 0 192.262 2.152 10 30 AEEERN C=C1C[C@]2(C(C)=O)C=CC=C[C@@H]12 238105043 573800051 /nfs/dbraw/zinc/80/00/51/573800051.db2.gz DRAUZKAIQDORPQ-QWRGUYRKSA-N 0 0 160.216 2.264 10 30 AEEERN C=C[C@@H](CN=[N+]=[N-])N=[N+]=[N-] 238105666 573800149 /nfs/dbraw/zinc/80/01/49/573800149.db2.gz KWWLGPQEKMUXJB-BYPYZUCNSA-N 0 0 138.134 2.162 10 30 AEEERN Cc1cccc(C)c1[C@@](C)([NH3+])CC#N 238513951 573800171 /nfs/dbraw/zinc/80/01/71/573800171.db2.gz PMVYHSLKJDVCST-LBPRGKRZSA-N 0 0 188.274 2.391 10 30 AEEERN CCC(=O)c1cccc(C#N)c1C 306712029 573800187 /nfs/dbraw/zinc/80/01/87/573800187.db2.gz YQHXBVUNEMAVEN-UHFFFAOYSA-N 0 0 173.215 2.459 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(F)[C@@H](O)C1 238124713 573800203 /nfs/dbraw/zinc/80/02/03/573800203.db2.gz GEZSNFYPFHCVDU-KXUCPTDWSA-N 0 0 172.243 2.452 10 30 AEEERN Cc1ccc([C@H](N)C#N)c(C)c1C 258950818 573800225 /nfs/dbraw/zinc/80/02/25/573800225.db2.gz BBRMXOGKUZNCFR-LLVKDONJSA-N 0 0 174.247 2.135 10 30 AEEERN C#CCC[C@H](O)CC#C[Si](C)(C)C 238514356 573800268 /nfs/dbraw/zinc/80/02/68/573800268.db2.gz IDLZJNYAQPVWJO-NSHDSACASA-N 0 0 194.350 2.032 10 30 AEEERN CC(=C=CC#CCO)CC(C)C 238127106 573800272 /nfs/dbraw/zinc/80/02/72/573800272.db2.gz ZOSCEAGNKURHFN-UHFFFAOYSA-N 0 0 164.248 2.130 10 30 AEEERN N[C@@H](C=O)c1cccc2ccccc12 78644783 573800288 /nfs/dbraw/zinc/80/02/88/573800288.db2.gz LHCDCWVOZAXFKC-LBPRGKRZSA-N 0 0 185.226 2.039 10 30 AEEERN Cc1cc(C(F)F)ncc1CC#N 238521214 573800314 /nfs/dbraw/zinc/80/03/14/573800314.db2.gz QRXWTFHEZOTWIY-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN Cc1c(C#N)ccc2c1CCCC2=O 238514888 573800378 /nfs/dbraw/zinc/80/03/78/573800378.db2.gz RFRJHWMEUBLRHP-UHFFFAOYSA-N 0 0 185.226 2.386 10 30 AEEERN Cc1cc(C2(C#N)CC2)c(F)cc1N 238515028 573800410 /nfs/dbraw/zinc/80/04/10/573800410.db2.gz GBPKXFGEWHNIIO-UHFFFAOYSA-N 0 0 190.221 2.272 10 30 AEEERN CN[C@H](S)c1cccc(C)c1 259193377 573800925 /nfs/dbraw/zinc/80/09/25/573800925.db2.gz FBUJCGDDEWBCEL-SECBINFHSA-N 0 0 167.277 2.143 10 30 AEEERN CC(C)[C@H](C#N)CNc1ccccn1 258954812 573801023 /nfs/dbraw/zinc/80/10/23/573801023.db2.gz JUNKWXHTPNXSMY-SNVBAGLBSA-N 0 0 189.262 2.289 10 30 AEEERN O=CC[C@@H]1COc2cccc(Cl)c21 258130911 573801066 /nfs/dbraw/zinc/80/10/66/573801066.db2.gz PUPFINWYBRBVOA-SSDOTTSWSA-N 0 0 196.633 2.405 10 30 AEEERN N#C[C@@H](c1ncc[nH]1)c1cccs1 259194934 573801104 /nfs/dbraw/zinc/80/11/04/573801104.db2.gz PYCVSYMJPFPDSL-SSDOTTSWSA-N 0 0 189.243 2.127 10 30 AEEERN N#CCC1(Cl)Nc2ccccc2N1 238515394 573801143 /nfs/dbraw/zinc/80/11/43/573801143.db2.gz UVWXEVOOOFABMB-UHFFFAOYSA-N 0 0 193.637 2.330 10 30 AEEERN C/C=C/C=C\C[NH2+][C@H](CC)CC#N 308438624 573801211 /nfs/dbraw/zinc/80/12/11/573801211.db2.gz XXVDAUHWLMBRNV-TZDRKBDGSA-N 0 0 178.279 2.401 10 30 AEEERN Cc1ccc2c(C#N)c[nH]c2c1O 238514570 573801239 /nfs/dbraw/zinc/80/12/39/573801239.db2.gz CIUIXEUENLRSLF-UHFFFAOYSA-N 0 0 172.187 2.054 10 30 AEEERN C=C[C@@H]1C=CC[C@@H]1CC(C)=O 238128440 573801604 /nfs/dbraw/zinc/80/16/04/573801604.db2.gz ZZDFHSGCTFRETH-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@H](C#N)c1cccc2ccc(=O)oc12 214965883 573801322 /nfs/dbraw/zinc/80/13/22/573801322.db2.gz ARDCSXQDMXABOE-MRVPVSSYSA-N 0 0 199.209 2.420 10 30 AEEERN Cc1nc2cccc(CCC=O)c2o1 258128804 573801375 /nfs/dbraw/zinc/80/13/75/573801375.db2.gz RIHOWQAHYPXMDQ-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN COc1ccc(F)cc1SCC#N 258953873 573801427 /nfs/dbraw/zinc/80/14/27/573801427.db2.gz BHPLMGWAZBGGIT-UHFFFAOYSA-N 0 0 197.234 2.450 10 30 AEEERN CC[C@H](NCC#N)c1ncc(C)s1 308443411 573801497 /nfs/dbraw/zinc/80/14/97/573801497.db2.gz ZXSIYIDEGZNJAG-QMMMGPOBSA-N 0 0 195.291 2.016 10 30 AEEERN Cc1cnc(CC#N)c(O)c1C(F)F 238516771 573802846 /nfs/dbraw/zinc/80/28/46/573802846.db2.gz HOBLIUKHUYIBLT-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN COc1ccc(NCS)cc1F 258953780 573802079 /nfs/dbraw/zinc/80/20/79/573802079.db2.gz RYCRJOPGVJGIDZ-UHFFFAOYSA-N 0 0 187.239 2.134 10 30 AEEERN C=C[C@H]1CC=C[C@@H]1CC(C)=O 238127786 573802125 /nfs/dbraw/zinc/80/21/25/573802125.db2.gz MNQSAXWNQZYCQU-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1[C@H](O)CCC(C)(C)[C@H]1CC(C)=O 238127597 573802191 /nfs/dbraw/zinc/80/21/91/573802191.db2.gz CVKAGLGIEIEMFK-WDEREUQCSA-N 0 0 196.290 2.319 10 30 AEEERN C#C[C@H](C)OC(=O)CC(CC)CC 308442889 573802250 /nfs/dbraw/zinc/80/22/50/573802250.db2.gz ZPYFBDHEGCYQRS-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN C=C[C@H]1C=CC[C@@H]1CC(C)=O 238128387 573802307 /nfs/dbraw/zinc/80/23/07/573802307.db2.gz ZZDFHSGCTFRETH-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN CCn1nc(CC#N)c2ccccc21 84242823 573802420 /nfs/dbraw/zinc/80/24/20/573802420.db2.gz ZLWLWLXZITWTBS-UHFFFAOYSA-N 0 0 185.230 2.122 10 30 AEEERN C=C[C@H]1COc2ccccc2N1 238127259 573802872 /nfs/dbraw/zinc/80/28/72/573802872.db2.gz SBZNXNCEVJHXAE-QMMMGPOBSA-N 0 0 161.204 2.046 10 30 AEEERN C=C[C@H]1CC=CC[C@H]1CC=O 238120762 573802483 /nfs/dbraw/zinc/80/24/83/573802483.db2.gz WNLPXMJASJENCN-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN Cc1cccc(-n2ccc(C#N)n2)c1C 258953287 573802708 /nfs/dbraw/zinc/80/27/08/573802708.db2.gz AWFRAXBIXBQATP-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN N#C[C@@H]1CCc2c(F)cc(F)cc2O1 259570877 573802987 /nfs/dbraw/zinc/80/29/87/573802987.db2.gz OBPAVNDPIKLVND-ZETCQYMHSA-N 0 0 195.168 2.182 10 30 AEEERN C=C1C[C@@H]2C(=O)CC[C@H]2[C@@H]1C 238515626 573802994 /nfs/dbraw/zinc/80/29/94/573802994.db2.gz ACXFTHINQIURNV-VGMNWLOBSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H](CC=O)c1ccc(F)cc1C=O 258133676 573803058 /nfs/dbraw/zinc/80/30/58/573803058.db2.gz RRFRHAXSNKXFNR-MRVPVSSYSA-N 0 0 194.205 2.331 10 30 AEEERN C=C[C@H]1Cc2cc([N+](=O)[O-])ccc2O1 238127898 573803113 /nfs/dbraw/zinc/80/31/13/573803113.db2.gz WPLPMQVZQNUFIW-VIFPVBQESA-N 0 0 191.186 2.084 10 30 AEEERN CC[C@H](C#N)c1csc(C)n1 259194061 573803152 /nfs/dbraw/zinc/80/31/52/573803152.db2.gz GWWLBHQJNYYMOA-SSDOTTSWSA-N 0 0 166.249 2.469 10 30 AEEERN C=C1[C@H](CC(C)=O)C1(C)C 238127452 573803241 /nfs/dbraw/zinc/80/32/41/573803241.db2.gz SKNVWQPDGCLOSE-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1CC=CC[C@@H]1CC=O 238120725 573803269 /nfs/dbraw/zinc/80/32/69/573803269.db2.gz WNLPXMJASJENCN-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@@H](CC=O)c1ccc(F)cc1C=O 258133678 573803274 /nfs/dbraw/zinc/80/32/74/573803274.db2.gz RRFRHAXSNKXFNR-QMMMGPOBSA-N 0 0 194.205 2.331 10 30 AEEERN Cc1noc2c(CCC=O)cccc12 258131410 573803340 /nfs/dbraw/zinc/80/33/40/573803340.db2.gz RNZOZHZDYRPLJX-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN N#C[C@H](c1ncc[nH]1)c1cccs1 259194936 573803348 /nfs/dbraw/zinc/80/33/48/573803348.db2.gz PYCVSYMJPFPDSL-ZETCQYMHSA-N 0 0 189.243 2.127 10 30 AEEERN C[C@@]12C=CC(=O)[C@]1(C)CCC2 238515988 573803441 /nfs/dbraw/zinc/80/34/41/573803441.db2.gz KEOSULODEPBIRK-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN Cn1nc(CS)c2ccccc21 84242836 573803444 /nfs/dbraw/zinc/80/34/44/573803444.db2.gz GREBRZOVDGANOR-UHFFFAOYSA-N 0 0 178.260 2.003 10 30 AEEERN C#CCCCC(=O)[C@H](OC)C(C)(C)C 132229249 573803498 /nfs/dbraw/zinc/80/34/98/573803498.db2.gz JEXKOIYAQHLJNT-NSHDSACASA-N 0 0 196.290 2.420 10 30 AEEERN N#C[C@H]1CCc2c(F)cc(F)cc2O1 259570873 573803500 /nfs/dbraw/zinc/80/35/00/573803500.db2.gz OBPAVNDPIKLVND-SSDOTTSWSA-N 0 0 195.168 2.182 10 30 AEEERN C=C(C)[C@@H]1C[C@@H](C=O)C1(C)C 238128325 573803508 /nfs/dbraw/zinc/80/35/08/573803508.db2.gz LQQWOXOBMYXGDW-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC[C@@H](O)/C(C)=C/c1ccncc1 308439393 573805831 /nfs/dbraw/zinc/80/58/31/573805831.db2.gz BCLLPJJCUNJLMB-BZYZDCJZSA-N 0 0 189.258 2.422 10 30 AEEERN Cc1cccc([S@@](=O)CCC#N)c1 84266634 573806725 /nfs/dbraw/zinc/80/67/25/573806725.db2.gz JXRFBYMVYMMWIB-CYBMUJFWSA-N 0 0 193.271 2.016 10 30 AEEERN N#Cc1ccc2onc(Cl)c2c1 238528297 573805862 /nfs/dbraw/zinc/80/58/62/573805862.db2.gz SENQGDKAVOYTST-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN CC1=CC(=O)[C@@]2(CC1)C[C@@H]2C 238516600 573806132 /nfs/dbraw/zinc/80/61/32/573806132.db2.gz ZQRNCIXTQCDITG-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN O=C[C@@H]1CC[C@H]2[C@@H](C1)C2(Cl)Cl 238516655 573806182 /nfs/dbraw/zinc/80/61/82/573806182.db2.gz SVQGHTZDMAZKJD-DSYKOEDSSA-N 0 0 193.073 2.405 10 30 AEEERN Cn1cccc1-c1ccc(CC#N)n1C 214981270 573806191 /nfs/dbraw/zinc/80/61/91/573806191.db2.gz VLJZTMGRUBQAAP-UHFFFAOYSA-N 0 0 199.257 2.097 10 30 AEEERN C=CCc1nc(Cl)c2cc[nH]c2n1 238516350 573806206 /nfs/dbraw/zinc/80/62/06/573806206.db2.gz FDCYRWGFORKJIW-UHFFFAOYSA-N 0 0 193.637 2.340 10 30 AEEERN Cc1cnc(CC#N)c(C(F)F)c1 238516112 573806338 /nfs/dbraw/zinc/80/63/38/573806338.db2.gz DNFHXUDYLQDZKT-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C#Cc1cncc(Cl)c1C 209744629 573806454 /nfs/dbraw/zinc/80/64/54/573806454.db2.gz NOZZBJMUNQJXTM-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C[C@@H]1[C@H](C#N)CCN1c1ccccc1 259196547 573806484 /nfs/dbraw/zinc/80/64/84/573806484.db2.gz IOGDXMBLFYMNCR-MNOVXSKESA-N 0 0 186.258 2.425 10 30 AEEERN C[C@@H]1[C@@H](C#N)CCN1c1ccccc1 259196542 573806562 /nfs/dbraw/zinc/80/65/62/573806562.db2.gz IOGDXMBLFYMNCR-GHMZBOCLSA-N 0 0 186.258 2.425 10 30 AEEERN CC(=O)C[C@H]1CC2CCC1(C=O)CC2 238128289 573806584 /nfs/dbraw/zinc/80/65/84/573806584.db2.gz QKNCJGMIWUQWEN-CXQJBGSLSA-N 0 0 194.274 2.361 10 30 AEEERN Cc1c[nH]c(CC#N)c(C(F)F)c1=O 238516424 573806647 /nfs/dbraw/zinc/80/66/47/573806647.db2.gz ACXCOYNPCNZRCQ-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C[C@@H]1C=C[C@@H](CC(C)=O)C1 238130827 573806650 /nfs/dbraw/zinc/80/66/50/573806650.db2.gz SEOLTBAYUUIMFV-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@H]1CC/C=C/CCC1=O 238120656 573806694 /nfs/dbraw/zinc/80/66/94/573806694.db2.gz BWXODHAKLFNHHZ-NWALNABHSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@H]1C[C@H]1C(=O)C1CCC1 238123410 573810215 /nfs/dbraw/zinc/81/02/15/573810215.db2.gz HBPUYAPGQLHOCT-IONNQARKSA-N 0 0 150.221 2.178 10 30 AEEERN COc1ccc(C)cc1[C@@H]1O[C@@H]1C 258955169 573809268 /nfs/dbraw/zinc/80/92/68/573809268.db2.gz ZFFWDNNRQWZJNL-LDYMZIIASA-N 0 0 178.231 2.463 10 30 AEEERN Cc1cccc([S@@](=O)[C@@H](C)C#N)c1 84266698 573809319 /nfs/dbraw/zinc/80/93/19/573809319.db2.gz UDOHORPQLMWVAE-TVQRCGJNSA-N 0 0 193.271 2.015 10 30 AEEERN Cc1ccc(N(C)CS)cc1 258955640 573809362 /nfs/dbraw/zinc/80/93/62/573809362.db2.gz SAMBXQXSBIJDRP-UHFFFAOYSA-N 0 0 167.277 2.319 10 30 AEEERN C#Cc1nccc(Cl)c1C 209744540 573809450 /nfs/dbraw/zinc/80/94/50/573809450.db2.gz KHQBMZLJIKNNQA-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN COCCCCC[C@@H](C)C=O 131285380 573809479 /nfs/dbraw/zinc/80/94/79/573809479.db2.gz PFZFLNBYAOJIJC-SECBINFHSA-N 0 0 158.241 2.028 10 30 AEEERN CN(CS)c1ccc(F)c(F)c1 258955800 573809556 /nfs/dbraw/zinc/80/95/56/573809556.db2.gz SDKJHJYBUJCWKK-UHFFFAOYSA-N 0 0 189.230 2.288 10 30 AEEERN CCCCCCCOCCCO 108807443 573809577 /nfs/dbraw/zinc/80/95/77/573809577.db2.gz RKCINAWJRONKGH-UHFFFAOYSA-N 0 0 174.284 2.356 10 30 AEEERN C#CCC(=O)[C@H](OCC)C(C)(C)C 132266222 573809726 /nfs/dbraw/zinc/80/97/26/573809726.db2.gz DDFKEUBZJMTDPZ-JTQLQIEISA-N 0 0 182.263 2.030 10 30 AEEERN COc1cccc2c(CC=O)coc12 258136788 573809741 /nfs/dbraw/zinc/80/97/41/573809741.db2.gz KNAJASPAFXIACM-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN C=C[C@H]1CCCC(=O)[C@@H]1C=C 238121097 573809817 /nfs/dbraw/zinc/80/98/17/573809817.db2.gz VPILMPIEEPWFGA-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN N#CCc1cnccc1C(F)F 238529338 573809833 /nfs/dbraw/zinc/80/98/33/573809833.db2.gz DWXPOYVOIGFMDK-UHFFFAOYSA-N 0 0 168.146 2.085 10 30 AEEERN C=C(CC(=O)OC)c1cccs1 258138493 573809932 /nfs/dbraw/zinc/80/99/32/573809932.db2.gz JLOYRUMGVLIEQO-UHFFFAOYSA-N 0 0 182.244 2.324 10 30 AEEERN C#CC[C@@H]1C(=O)CCC[C@@H]1C=C 238121180 573810102 /nfs/dbraw/zinc/81/01/02/573810102.db2.gz OFYYKXTXNDQDIL-UWVGGRQHSA-N 0 0 162.232 2.181 10 30 AEEERN C#C[C@@H]1CC(=O)CC[C@H]1C(=C)C 238121147 573810141 /nfs/dbraw/zinc/81/01/41/573810141.db2.gz ZLFDNYZPTNLWFH-KOLCDFICSA-N 0 0 162.232 2.181 10 30 AEEERN COCc1cc(F)c(F)c(CC#N)c1 258136175 573810168 /nfs/dbraw/zinc/81/01/68/573810168.db2.gz RYLGJOZHSKBGSA-UHFFFAOYSA-N 0 0 197.184 2.177 10 30 AEEERN CC[C@@H](C)C(=O)[C@@H](C#N)C(C)C 41045737 573812461 /nfs/dbraw/zinc/81/24/61/573812461.db2.gz SRLDRSQBERNYPB-BDAKNGLRSA-N 0 0 167.252 2.397 10 30 AEEERN Cc1ccc(C#N)c(C2(C#N)CC2)c1 238528536 573811722 /nfs/dbraw/zinc/81/17/22/573811722.db2.gz HTABQJATZCLMLV-UHFFFAOYSA-N 0 0 182.226 2.422 10 30 AEEERN CC/C(=N\O)c1ccc(OC)cc1 100615264 573811748 /nfs/dbraw/zinc/81/17/48/573811748.db2.gz VKCMJUNNJYMGAC-ZHACJKMWSA-N 0 0 179.219 2.284 10 30 AEEERN N#Cc1cc2c(c(Cl)c1F)OCO2 258141672 573811870 /nfs/dbraw/zinc/81/18/70/573811870.db2.gz NYOACOJJXWHLTH-UHFFFAOYSA-N 0 0 199.568 2.079 10 30 AEEERN C=C[C@H]1C[C@H]1C(=O)Nc1ccccc1 238123499 573811897 /nfs/dbraw/zinc/81/18/97/573811897.db2.gz IBTXYQWPWFCSIU-GXSJLCMTSA-N 0 0 187.242 2.447 10 30 AEEERN C=C[C@@H]1CC(=O)C[C@H](C=C)C1 238122501 573811924 /nfs/dbraw/zinc/81/19/24/573811924.db2.gz ZAPMFXBEMINWBJ-DTORHVGOSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H]1C(=O)CCC[C@@H]1C=C 238121153 573811959 /nfs/dbraw/zinc/81/19/59/573811959.db2.gz VPILMPIEEPWFGA-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C#Cc1ccc(C(C)(C)C)cc1CO 238120975 573812105 /nfs/dbraw/zinc/81/21/05/573812105.db2.gz CCCYMQJNNFRFTD-UHFFFAOYSA-N 0 0 188.270 2.458 10 30 AEEERN CC[C@@H](C)C(=O)[C@H](C#N)C(C)C 41045739 573812151 /nfs/dbraw/zinc/81/21/51/573812151.db2.gz SRLDRSQBERNYPB-RKDXNWHRSA-N 0 0 167.252 2.397 10 30 AEEERN C=C[C@H]1C[C@H]1C1=CC(=O)CCC1 238123562 573812153 /nfs/dbraw/zinc/81/21/53/573812153.db2.gz UCYPWSYSMRULKS-GZMMTYOYSA-N 0 0 162.232 2.488 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C=O)C1 238124058 573812209 /nfs/dbraw/zinc/81/22/09/573812209.db2.gz DEFKQDSBSYNCTN-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C#CC[C@H]1[C@@H](C=O)CCC[C@@H]1C=C 238121545 573812232 /nfs/dbraw/zinc/81/22/32/573812232.db2.gz LDJSJALSDCXEJI-QJPTWQEYSA-N 0 0 176.259 2.427 10 30 AEEERN CC1(C)C[C@]1(C#N)c1ccncc1 258941777 573812242 /nfs/dbraw/zinc/81/22/42/573812242.db2.gz CNTIPDUNZMRTQR-NSHDSACASA-N 0 0 172.231 2.273 10 30 AEEERN C=C[C@H]1CCC(=O)c2cccn21 238120935 573812404 /nfs/dbraw/zinc/81/24/04/573812404.db2.gz RGTVMTCQOUAYCB-QMMMGPOBSA-N 0 0 161.204 2.192 10 30 AEEERN C#CCCC[C@@H](CC1CCCC1)NN 161016284 573812420 /nfs/dbraw/zinc/81/24/20/573812420.db2.gz VZPCGZBFGHQIFQ-LBPRGKRZSA-N 0 0 194.322 2.202 10 30 AEEERN O=CC[C@H]1COc2ccc(Cl)cc21 258146118 573819595 /nfs/dbraw/zinc/81/95/95/573819595.db2.gz QSEANUDJBQADCN-ZETCQYMHSA-N 0 0 196.633 2.405 10 30 AEEERN N#Cc1nccc(F)c1C(F)(F)F 306922658 573818938 /nfs/dbraw/zinc/81/89/38/573818938.db2.gz WGPUBLQRKCRKBV-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN C=C(C)[C@H](C(N)=S)c1ccccn1 238137196 573818945 /nfs/dbraw/zinc/81/89/45/573818945.db2.gz JZKLOQHADQMWQI-VIFPVBQESA-N 0 0 192.287 2.027 10 30 AEEERN COc1c(Cl)cc(C)c(C#N)c1O 258147770 573819000 /nfs/dbraw/zinc/81/90/00/573819000.db2.gz TUCHQVGDEMNHAF-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN N#CC[C@@H]1CCOC[C@]12CCSC2 259622666 573819005 /nfs/dbraw/zinc/81/90/05/573819005.db2.gz HJKCWARYTUFMRN-ZJUUUORDSA-N 0 0 197.303 2.060 10 30 AEEERN CC[C@H](C)[C@H](C#N)NCC(F)(F)F 41050184 573819028 /nfs/dbraw/zinc/81/90/28/573819028.db2.gz UBKPAQYWAIVQNU-BQBZGAKWSA-N 0 0 194.200 2.077 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1ccnnc1C 715020378 573819041 /nfs/dbraw/zinc/81/90/41/573819041.db2.gz CCKQTSBONYURQT-KWQFWETISA-N 0 0 192.262 2.031 10 30 AEEERN CC[C@@H](C)[C@H](C#N)NC1CCCC1 41050171 573819155 /nfs/dbraw/zinc/81/91/55/573819155.db2.gz PDWKNRUUXHINOG-KOLCDFICSA-N 0 0 180.295 2.457 10 30 AEEERN Cc1c(C#N)ncc(F)c1C(F)F 238524234 573819213 /nfs/dbraw/zinc/81/92/13/573819213.db2.gz FOBSAMINNSBVTL-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C=C(C)[C@]12C=C[C@H](CC1=O)C2 238136460 573819267 /nfs/dbraw/zinc/81/92/67/573819267.db2.gz HDRFPWVREKSSGB-PSASIEDQSA-N 0 0 148.205 2.098 10 30 AEEERN N#Cc1cccc(-c2cccc(O)c2)n1 258147347 573819297 /nfs/dbraw/zinc/81/92/97/573819297.db2.gz RRYKVRHMAHQYPZ-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1ccnnc1C 715020375 573819350 /nfs/dbraw/zinc/81/93/50/573819350.db2.gz CCKQTSBONYURQT-GZMMTYOYSA-N 0 0 192.262 2.031 10 30 AEEERN CC[C@@H](C)[C@H](C#N)NCC(F)(F)F 41050183 573819354 /nfs/dbraw/zinc/81/93/54/573819354.db2.gz UBKPAQYWAIVQNU-RQJHMYQMSA-N 0 0 194.200 2.077 10 30 AEEERN Cn1c(CS)cc2ccc(N)cc21 258146124 573819448 /nfs/dbraw/zinc/81/94/48/573819448.db2.gz WKMALDPMODTXAJ-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN CCc1noc2c1CC[C@H](CC#N)C2 259622570 573819476 /nfs/dbraw/zinc/81/94/76/573819476.db2.gz HIIFJBKDNBZCKA-MRVPVSSYSA-N 0 0 190.246 2.256 10 30 AEEERN C=C=C(CC=O)C(C)(C)C 238134960 573820637 /nfs/dbraw/zinc/82/06/37/573820637.db2.gz XDTCGONDSHHNJC-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN C=CCC[C@H](C=O)C(=C)C 238137928 573821403 /nfs/dbraw/zinc/82/14/03/573821403.db2.gz PDSNTAAUABCKSB-SECBINFHSA-N 0 0 138.210 2.344 10 30 AEEERN Cc1ccc([Si](C)(C)C)cc1C#N 306326929 573820732 /nfs/dbraw/zinc/82/07/32/573820732.db2.gz MHSXIONIKNRUSN-UHFFFAOYSA-N 0 0 189.334 2.412 10 30 AEEERN Cc1c(C#N)cnc(F)c1C(F)F 238523062 573820812 /nfs/dbraw/zinc/82/08/12/573820812.db2.gz GLSULUBCEKESHA-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CCOc1ccccc1[C@H](F)C=O 257883342 573820944 /nfs/dbraw/zinc/82/09/44/573820944.db2.gz MKJHBEXKXKLWOU-SECBINFHSA-N 0 0 182.194 2.295 10 30 AEEERN CC(C)(C)[C@H](C#N)c1ncccn1 259204193 573820948 /nfs/dbraw/zinc/82/09/48/573820948.db2.gz QMTYEIVJVFKSPA-MRVPVSSYSA-N 0 0 175.235 2.130 10 30 AEEERN CC(C)(C)C1=C(O)C(C)(C)C1=O 238136752 573821050 /nfs/dbraw/zinc/82/10/50/573821050.db2.gz SSCGHVVVHWCOHO-UHFFFAOYSA-N 0 0 168.236 2.454 10 30 AEEERN CCCC[C@H](C#N)NC(C)C 41053209 573821074 /nfs/dbraw/zinc/82/10/74/573821074.db2.gz QCICSVLSIAZRPS-SECBINFHSA-N 0 0 154.257 2.067 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)[C@@H](C)CC 41050192 573821095 /nfs/dbraw/zinc/82/10/95/573821095.db2.gz KTRZYQVNNJHAQL-GUBZILKMSA-N 0 0 168.284 2.313 10 30 AEEERN C#C[C@@H](C(=C)C)C(=O)C1=CCCC1 238137135 573821147 /nfs/dbraw/zinc/82/11/47/573821147.db2.gz SJUNCJDOFLHWQL-NSHDSACASA-N 0 0 174.243 2.491 10 30 AEEERN CC(C)(C#N)Cc1ccc(O)cc1 87184585 573821182 /nfs/dbraw/zinc/82/11/82/573821182.db2.gz IJUMIMYRMWHLQJ-UHFFFAOYSA-N 0 0 175.231 2.484 10 30 AEEERN Cc1cc(F)c(C(F)F)nc1C#N 238523081 573821257 /nfs/dbraw/zinc/82/12/57/573821257.db2.gz KQRDCBXLRJMHCJ-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC[C@H](C)N[C@H](C#N)[C@@H](C)CC 41050190 573821297 /nfs/dbraw/zinc/82/12/97/573821297.db2.gz KTRZYQVNNJHAQL-LPEHRKFASA-N 0 0 168.284 2.313 10 30 AEEERN CC[C@@]1(c2ccc(O)cc2)C[C@@H]1C=O 257885348 573821314 /nfs/dbraw/zinc/82/13/14/573821314.db2.gz WECXCBZGCRBVDG-PWSUYJOCSA-N 0 0 190.242 2.259 10 30 AEEERN CCCC[C@H](C#N)NCCC 41053207 573821331 /nfs/dbraw/zinc/82/13/31/573821331.db2.gz GTUSOXIRWPTOEC-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN CC[C@@H](C)[C@H](C#N)N(CC)CC 41050450 573821359 /nfs/dbraw/zinc/82/13/59/573821359.db2.gz MOFCCXIJERBZSJ-ZJUUUORDSA-N 0 0 168.284 2.266 10 30 AEEERN N#CC[C@@H]1CCOC[C@@]12CCSC2 259622658 573822390 /nfs/dbraw/zinc/82/23/90/573822390.db2.gz HJKCWARYTUFMRN-NXEZZACHSA-N 0 0 197.303 2.060 10 30 AEEERN Cc1c(C#N)n(O)c2ccccc12 238523415 573822416 /nfs/dbraw/zinc/82/24/16/573822416.db2.gz MKQQCRLDSFSOKI-UHFFFAOYSA-N 0 0 172.187 2.059 10 30 AEEERN CCC(CC)[C@H](C#N)N1CCCC1 41049896 573822418 /nfs/dbraw/zinc/82/24/18/573822418.db2.gz CYZDWQMEPNIFMZ-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)C(C)(C)C 41051770 573822434 /nfs/dbraw/zinc/82/24/34/573822434.db2.gz LGXZVXZHAGASFY-BDAKNGLRSA-N 0 0 168.284 2.313 10 30 AEEERN CCCC(=NO)[C@@H](O)c1ccccc1 308446842 573822449 /nfs/dbraw/zinc/82/24/49/573822449.db2.gz NDQFLHCXSLQCOW-NSHDSACASA-N 0 0 193.246 2.350 10 30 AEEERN CCCC[C@H](C#N)NCC(C)C 41053245 573822450 /nfs/dbraw/zinc/82/24/50/573822450.db2.gz KHAMPRJIMWRSNR-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN CC[C@H](C)[C@@H](C#N)NCC(F)(F)F 41050182 573822502 /nfs/dbraw/zinc/82/25/02/573822502.db2.gz UBKPAQYWAIVQNU-NKWVEPMBSA-N 0 0 194.200 2.077 10 30 AEEERN CCC(CC)[C@@H](C#N)N1CCCC1 41049895 573822548 /nfs/dbraw/zinc/82/25/48/573822548.db2.gz CYZDWQMEPNIFMZ-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)=CC1=CC(=O)C(C)(C)O1 238139970 573822613 /nfs/dbraw/zinc/82/26/13/573822613.db2.gz BKKDOXYVLCAEHX-UHFFFAOYSA-N 0 0 166.220 2.214 10 30 AEEERN CC[C@H](C)[C@H](C#N)NCC(C)C 41050068 573822692 /nfs/dbraw/zinc/82/26/92/573822692.db2.gz HTWPUQYOVUCFHP-UWVGGRQHSA-N 0 0 168.284 2.170 10 30 AEEERN Cc1csc2c1C(=O)C[C@H](C#N)C2 259622695 573822722 /nfs/dbraw/zinc/82/27/22/573822722.db2.gz HJQHJIRWEQLKHO-ZETCQYMHSA-N 0 0 191.255 2.325 10 30 AEEERN C#C[C@@H](O)C1=C(C=C(C)C)CCC1 238139833 573822780 /nfs/dbraw/zinc/82/27/80/573822780.db2.gz VJGZEHPTJCNFPK-GFCCVEGCSA-N 0 0 176.259 2.427 10 30 AEEERN CC[C@@H](C)[C@H](C#N)NCC(C)C 41050067 573822789 /nfs/dbraw/zinc/82/27/89/573822789.db2.gz HTWPUQYOVUCFHP-ZJUUUORDSA-N 0 0 168.284 2.170 10 30 AEEERN CO[C@@H](CC=O)c1ccc(C)cc1 257883348 573822827 /nfs/dbraw/zinc/82/28/27/573822827.db2.gz MKPZMMATOBYGRG-NSHDSACASA-N 0 0 178.231 2.272 10 30 AEEERN C#C[C@H](O)C1=C(C=C(C)C)CCC1 238139729 573822828 /nfs/dbraw/zinc/82/28/28/573822828.db2.gz VJGZEHPTJCNFPK-LBPRGKRZSA-N 0 0 176.259 2.427 10 30 AEEERN CO[C@@H](Cc1ccccc1)[C@H](C)C=O 215412762 573822925 /nfs/dbraw/zinc/82/29/25/573822925.db2.gz JMMNKZDECGLJTL-PWSUYJOCSA-N 0 0 192.258 2.079 10 30 AEEERN C=CC[C@@H](C=O)C(C)(C)C 238130942 573822950 /nfs/dbraw/zinc/82/29/50/573822950.db2.gz UXRQGLJRNAKYGS-QMMMGPOBSA-N 0 0 140.226 2.424 10 30 AEEERN C=C[C@]12CCCC[C@@H]1CC2=O 238129678 573823112 /nfs/dbraw/zinc/82/31/12/573823112.db2.gz SXTFHVRHJCEVPY-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)[C@H](O)C1=CCCCC1 238140181 573823161 /nfs/dbraw/zinc/82/31/61/573823161.db2.gz KVVMERUZKRDXOK-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN N#Cc1c([O-])sc2ccc(N)cc12 306938322 573823214 /nfs/dbraw/zinc/82/32/14/573823214.db2.gz MSWGYFPSWLPDTE-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC(C)(C)C1CCC(O)(C=O)CC1 238139993 573823205 /nfs/dbraw/zinc/82/32/05/573823205.db2.gz NCLFUGDHYPRYHP-UHFFFAOYSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H]1CCC[C@H](C=O)[C@@H]1C 84324891 573825089 /nfs/dbraw/zinc/82/50/89/573825089.db2.gz AGPAHCPNDNDKRX-IWSPIJDZSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1CCC[C@@H](C=O)CC1 84324922 573825104 /nfs/dbraw/zinc/82/51/04/573825104.db2.gz JGMMFPPCCOTQEV-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN CC(C)(C)[C@@H](C#N)c1ncccn1 259204197 573824349 /nfs/dbraw/zinc/82/43/49/573824349.db2.gz QMTYEIVJVFKSPA-QMMMGPOBSA-N 0 0 175.235 2.130 10 30 AEEERN CO[C@H](Cc1ccccc1)[C@@H](C)C=O 215412661 573824410 /nfs/dbraw/zinc/82/44/10/573824410.db2.gz JMMNKZDECGLJTL-CMPLNLGQSA-N 0 0 192.258 2.079 10 30 AEEERN CCCC[C@@H](C#N)N1CCCC1 41053498 573824429 /nfs/dbraw/zinc/82/44/29/573824429.db2.gz FXNBPILYOURPTI-JTQLQIEISA-N 0 0 166.268 2.165 10 30 AEEERN C=C(C)[C@H](O)C1=CCCC1 238140160 573824457 /nfs/dbraw/zinc/82/44/57/573824457.db2.gz HJRWHBQKTVETGE-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN C=C(C)[C@@H]1C[C@](C)(C=O)C[C@@]1(C)C=O 238129596 573824485 /nfs/dbraw/zinc/82/44/85/573824485.db2.gz ZKUDJRCHXZNRRP-SRVKXCTJSA-N 0 0 194.274 2.383 10 30 AEEERN C=C[C@]12CCC[C@]1(C=O)CC2 238130118 573824580 /nfs/dbraw/zinc/82/45/80/573824580.db2.gz AZYDAHQPLAMUTL-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(C)[C@@H](C=O)C1CC1 238130477 573824587 /nfs/dbraw/zinc/82/45/87/573824587.db2.gz IQZPVOBEGALEFS-QMMMGPOBSA-N 0 0 140.226 2.258 10 30 AEEERN CCCC[C@@H](C#N)N[C@@H](C)CC 41053332 573824729 /nfs/dbraw/zinc/82/47/29/573824729.db2.gz BMFQVIOUHKWRMR-UWVGGRQHSA-N 0 0 168.284 2.457 10 30 AEEERN C=CC(C)(C=C)[C@@H](O)C(=C)C 238139908 573824836 /nfs/dbraw/zinc/82/48/36/573824836.db2.gz BXACMHTUBLLTEI-VIFPVBQESA-N 0 0 152.237 2.302 10 30 AEEERN CC[C@@H](CNCC#N)c1ccccc1 308750059 573824987 /nfs/dbraw/zinc/82/49/87/573824987.db2.gz UAIWNYCKXDUVSE-NSHDSACASA-N 0 0 188.274 2.293 10 30 AEEERN CO[C@](C)(C=O)Cc1cccc(C)c1 257884567 573825040 /nfs/dbraw/zinc/82/50/40/573825040.db2.gz VZNWWZCRRQCDFL-LBPRGKRZSA-N 0 0 192.258 2.142 10 30 AEEERN CC(=O)C[C@H]1CCCC[C@@]1(C)C=O 238129145 573825295 /nfs/dbraw/zinc/82/52/95/573825295.db2.gz HZJKMARWEKRFBB-MNOVXSKESA-N 0 0 182.263 2.361 10 30 AEEERN Cc1c(C#N)oc2cc(O)ccc12 238524531 573825404 /nfs/dbraw/zinc/82/54/04/573825404.db2.gz DMNQBOAMNLNFPE-UHFFFAOYSA-N 0 0 173.171 2.319 10 30 AEEERN CCO[C@@H](C=O)CC1CCCC1 258431425 573825421 /nfs/dbraw/zinc/82/54/21/573825421.db2.gz CYEWLYFUSXZFRJ-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN CC(C)(C)[C@@H](C=O)c1ccc[nH]1 238130708 573825476 /nfs/dbraw/zinc/82/54/76/573825476.db2.gz BOUVCLKTNMEMPV-QMMMGPOBSA-N 0 0 165.236 2.343 10 30 AEEERN C=C[C@@H](O)CC(C)(C)C=C 238129020 573825485 /nfs/dbraw/zinc/82/54/85/573825485.db2.gz ROLSICMVRONGKV-MRVPVSSYSA-N 0 0 140.226 2.136 10 30 AEEERN CCC[C@@H](C)COC[C@]1(C)CO1 233275512 573825515 /nfs/dbraw/zinc/82/55/15/573825515.db2.gz AEGUVVOEJKLVFX-NXEZZACHSA-N 0 0 172.268 2.228 10 30 AEEERN CC(C)C=C1C(=O)CCC1=O 238139651 573825518 /nfs/dbraw/zinc/82/55/18/573825518.db2.gz XXJXLTJLIWNYEW-UHFFFAOYSA-N 0 0 152.193 2.128 10 30 AEEERN C=C(C)[C@@H]1OC(C)(C)C[C@]1(C)C=O 238130098 573825523 /nfs/dbraw/zinc/82/55/23/573825523.db2.gz FQMYHPRVNUBMCE-GXSJLCMTSA-N 0 0 182.263 2.335 10 30 AEEERN CC[C@H]1CCCC[C@@H]1N[C@@H](C)C#N 43515395 573825620 /nfs/dbraw/zinc/82/56/20/573825620.db2.gz VRTLLXLFAAQWNZ-DCAQKATOSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)=CC1=CC(=O)CC1 238140009 573825630 /nfs/dbraw/zinc/82/56/30/573825630.db2.gz KPERYRPDJBBUCB-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CCCC[C@@H](C#N)N[C@H](C)CC 41053334 573825644 /nfs/dbraw/zinc/82/56/44/573825644.db2.gz BMFQVIOUHKWRMR-ZJUUUORDSA-N 0 0 168.284 2.457 10 30 AEEERN C[C@H]1CCC[C@H](C=O)CC1 84324918 573825650 /nfs/dbraw/zinc/82/56/50/573825650.db2.gz JGMMFPPCCOTQEV-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN C=C(C)[C@H](O)C(=O)c1ccc(C)cc1 238139797 573825663 /nfs/dbraw/zinc/82/56/63/573825663.db2.gz FBUSLRYVDVJXGX-NSHDSACASA-N 0 0 190.242 2.115 10 30 AEEERN C=CC[C@@](C)(O)c1ccc(O)c(C)c1 238525993 573825676 /nfs/dbraw/zinc/82/56/76/573825676.db2.gz GGQFFRNGXKGDNY-GFCCVEGCSA-N 0 0 192.258 2.484 10 30 AEEERN CC(=O)C[C@H]1CCCC[C@]1(C)C=O 238129217 573825695 /nfs/dbraw/zinc/82/56/95/573825695.db2.gz HZJKMARWEKRFBB-GHMZBOCLSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@@H]1CCC[C@@H](C=O)CC1 84324921 573825712 /nfs/dbraw/zinc/82/57/12/573825712.db2.gz JGMMFPPCCOTQEV-RKDXNWHRSA-N 0 0 140.226 2.402 10 30 AEEERN C=C[C@@H]1C(=O)N[C@H]1/C=C\c1ccccc1 308754291 573825881 /nfs/dbraw/zinc/82/58/81/573825881.db2.gz PZDBUXSELULTIH-RTVKQWPZSA-N 0 0 199.253 2.000 10 30 AEEERN N#Cc1cc2ccncc2nc1Cl 260490017 573825934 /nfs/dbraw/zinc/82/59/34/573825934.db2.gz SIKVFYKGTCVIRR-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@H](C=O)C1 84324964 573827618 /nfs/dbraw/zinc/82/76/18/573827618.db2.gz INCHVYGEEZMENC-HLTSFMKQSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@@H](S)c1ccc2c(c1)CC(=O)N2 259204822 573826998 /nfs/dbraw/zinc/82/69/98/573826998.db2.gz KYOVHKRDBFSWGB-ZCFIWIBFSA-N 0 0 193.271 2.172 10 30 AEEERN CO[C@@](C)(C=O)Cc1cccc(C)c1 257884565 573827016 /nfs/dbraw/zinc/82/70/16/573827016.db2.gz VZNWWZCRRQCDFL-GFCCVEGCSA-N 0 0 192.258 2.142 10 30 AEEERN CCCC[C@H](C#N)N[C@@H](C)CC 41053333 573827044 /nfs/dbraw/zinc/82/70/44/573827044.db2.gz BMFQVIOUHKWRMR-VHSXEESVSA-N 0 0 168.284 2.457 10 30 AEEERN CCO[C@H](C=O)CC1CCCC1 258431421 573827073 /nfs/dbraw/zinc/82/70/73/573827073.db2.gz CYEWLYFUSXZFRJ-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C=C(C)[C@H](NCCC)C(F)(F)F 131403835 573827721 /nfs/dbraw/zinc/82/77/21/573827721.db2.gz KPFIZHPCKMRGLE-ZETCQYMHSA-N 0 0 181.201 2.493 10 30 AEEERN CCCCC[C@H](C)N[C@H](C)C#N 43515383 573827213 /nfs/dbraw/zinc/82/72/13/573827213.db2.gz JLENNJBEOCWEDP-VHSXEESVSA-N 0 0 168.284 2.457 10 30 AEEERN CCCC[C@H](C#N)NCC(F)(F)F 41053329 573827280 /nfs/dbraw/zinc/82/72/80/573827280.db2.gz GCCABJJWPRNZME-SSDOTTSWSA-N 0 0 194.200 2.221 10 30 AEEERN C[C@H]1CC[C@@H](C)C[C@H]1C=O 84324961 573827395 /nfs/dbraw/zinc/82/73/95/573827395.db2.gz INCHVYGEEZMENC-VGMNWLOBSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1CC(C(=O)CCC#N)C[C@H](C)O1 259622790 573827405 /nfs/dbraw/zinc/82/74/05/573827405.db2.gz HLDVZGASYZZQHH-IUCAKERBSA-N 0 0 195.262 2.063 10 30 AEEERN C=C[C@@H]1C[C@H]1C(=O)C(C)(C)C 238131408 573827436 /nfs/dbraw/zinc/82/74/36/573827436.db2.gz INKNDJHACVGVMV-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN CCCC[C@@H](C#N)NCC(F)(F)F 41053328 573827474 /nfs/dbraw/zinc/82/74/74/573827474.db2.gz GCCABJJWPRNZME-ZETCQYMHSA-N 0 0 194.200 2.221 10 30 AEEERN C[C@H](C=O)[C@@H]1Cc2cccc(F)c2C1 257884452 573827493 /nfs/dbraw/zinc/82/74/93/573827493.db2.gz VYPFIJVGZNKYQD-PSASIEDQSA-N 0 0 192.233 2.376 10 30 AEEERN C=C(Cl)[C@H](O)C(C)(C)C 238146225 573829418 /nfs/dbraw/zinc/82/94/18/573829418.db2.gz MYUZZRKUNJSAGH-LURJTMIESA-N 0 0 148.633 2.146 10 30 AEEERN C#CCN[C@@H](C#N)C1CCCCCC1 84329747 573829423 /nfs/dbraw/zinc/82/94/23/573829423.db2.gz KLBJREQDRDPYCQ-LBPRGKRZSA-N 0 0 190.290 2.072 10 30 AEEERN C#CCON[C@H](C)c1sccc1C 308446579 573829458 /nfs/dbraw/zinc/82/94/58/573829458.db2.gz BKZFFOSNRXCFRL-SECBINFHSA-N 0 0 195.287 2.272 10 30 AEEERN CN(C)[C@H](C#N)C1CCCCCC1 84330171 573829465 /nfs/dbraw/zinc/82/94/65/573829465.db2.gz DQFNKSZOAVBCRU-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1ccc(C#N)cc1 43515038 573829545 /nfs/dbraw/zinc/82/95/45/573829545.db2.gz XSYPZMDAXSORIP-NXEZZACHSA-N 0 0 199.257 2.121 10 30 AEEERN CC[C@@H]1CC2=C(OCCC2)C1=O 224703569 573829570 /nfs/dbraw/zinc/82/95/70/573829570.db2.gz RAZQRLJQUHJHGF-SSDOTTSWSA-N 0 0 166.220 2.050 10 30 AEEERN CCc1cc([C@H](C#N)C2CC2)on1 259573865 573829580 /nfs/dbraw/zinc/82/95/80/573829580.db2.gz DNVXRSILUUJVAI-SECBINFHSA-N 0 0 176.219 2.254 10 30 AEEERN O=CCc1c[nH]c2cc(F)ccc12 258142117 573829591 /nfs/dbraw/zinc/82/95/91/573829591.db2.gz KVUNMKAJFBQRHJ-UHFFFAOYSA-N 0 0 177.178 2.048 10 30 AEEERN CC(C)C(=O)/C=C/c1ccncc1 143497840 573829620 /nfs/dbraw/zinc/82/96/20/573829620.db2.gz DTJYLYBRKVNDKK-ONEGZZNKSA-N 0 0 175.231 2.320 10 30 AEEERN SCCc1ccc2c(c1)CCN2 259205812 573829626 /nfs/dbraw/zinc/82/96/26/573829626.db2.gz NNIRRBSVXSNIOR-UHFFFAOYSA-N 0 0 179.288 2.127 10 30 AEEERN Cc1cc(F)c([C@H]2CO2)cc1F 87206984 573829695 /nfs/dbraw/zinc/82/96/95/573829695.db2.gz BUTVFMWNEOOJHP-SECBINFHSA-N 0 0 170.158 2.345 10 30 AEEERN CCCn1cncc1/C=C(\C)C(C)=O 308446319 573829848 /nfs/dbraw/zinc/82/98/48/573829848.db2.gz OOOWCXMGWGLNOA-RMKNXTFCSA-N 0 0 192.262 2.285 10 30 AEEERN CCCCC[C@@H](C)N[C@@H](C)C#N 43515380 573829855 /nfs/dbraw/zinc/82/98/55/573829855.db2.gz JLENNJBEOCWEDP-ZJUUUORDSA-N 0 0 168.284 2.457 10 30 AEEERN CC[C@H]1CC2=C(NCCCC2)C1=O 100828329 573829915 /nfs/dbraw/zinc/82/99/15/573829915.db2.gz RXFDRMNPYAIRFJ-QMMMGPOBSA-N 0 0 179.263 2.013 10 30 endogenous,in-man AEEERN CC(C)(C)[C@@H](O)CCCC#N 238146898 573830052 /nfs/dbraw/zinc/83/00/52/573830052.db2.gz VYQPDCJTJLHUEC-QMMMGPOBSA-N 0 0 155.241 2.087 10 30 AEEERN Cc1ccc2ccc(C#N)c(O)c2n1 238527266 573830102 /nfs/dbraw/zinc/83/01/02/573830102.db2.gz BFCIHSRDPWBYJW-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C=CC[C@H](C)[C@]1(O)C[C@@H](C)O[C@H]1C 715024366 573835210 /nfs/dbraw/zinc/83/52/10/573835210.db2.gz NDSHKULNZRAIOZ-ZRUFSTJUSA-N 0 0 184.279 2.127 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)Cc1ccco1 43540698 573834540 /nfs/dbraw/zinc/83/45/40/573834540.db2.gz QNXMPLXVLWFOAD-UWVGGRQHSA-N 0 0 192.262 2.102 10 30 AEEERN Cn1nc(Cl)c2c(C#N)cccc21 257886557 573834548 /nfs/dbraw/zinc/83/45/48/573834548.db2.gz WIYMWFLQSLJAJZ-UHFFFAOYSA-N 0 0 191.621 2.098 10 30 AEEERN CCCC[C@@H](COC)N[C@H](C#N)CC 308764570 573834586 /nfs/dbraw/zinc/83/45/86/573834586.db2.gz ZROTXCJAYDWHSB-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN O=CC1(c2ccc(Cl)o2)CC1 84332013 573834595 /nfs/dbraw/zinc/83/45/95/573834595.db2.gz ZCNURSMPDBWBBR-UHFFFAOYSA-N 0 0 170.595 2.164 10 30 AEEERN CCCCC#C[NH+](CC)CC 37632200 573834596 /nfs/dbraw/zinc/83/45/96/573834596.db2.gz CCPQRIDOJLAISB-UHFFFAOYSA-N 0 0 153.269 2.479 10 30 AEEERN Cc1cc(C#N)c(N2CCCCC2)[nH]1 238533612 573834636 /nfs/dbraw/zinc/83/46/36/573834636.db2.gz YLPXVTUZAKBHDY-UHFFFAOYSA-N 0 0 189.262 2.185 10 30 AEEERN C=C(C)[C@H](O)[C@H]1C=CCCC1 238141596 573834646 /nfs/dbraw/zinc/83/46/46/573834646.db2.gz LYUVKGQFPPLAJG-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN CC(C)=CC(=O)[C@@]1(C)CCCO1 87226691 573834704 /nfs/dbraw/zinc/83/47/04/573834704.db2.gz XGCONRNFUUOIHU-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@H](C#N)OCCc1cccs1 43522758 573834749 /nfs/dbraw/zinc/83/47/49/573834749.db2.gz OJZXMBJCSGYZSY-MRVPVSSYSA-N 0 0 181.260 2.219 10 30 AEEERN C=C=CC(C)(C)[C@@H](O)CC=C 238155175 573834861 /nfs/dbraw/zinc/83/48/61/573834861.db2.gz AHYJGEQFRRAISK-VIFPVBQESA-N 0 0 152.237 2.291 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@@H](CC=O)[C@@H](O)C1 238154604 573834919 /nfs/dbraw/zinc/83/49/19/573834919.db2.gz JLGPHRVTSWOOCG-AXFHLTTASA-N 0 0 198.306 2.399 10 30 AEEERN COc1cccc(CO[C@@H](C)C#N)c1 43522581 573834921 /nfs/dbraw/zinc/83/49/21/573834921.db2.gz CNFXWNSZANEUNR-VIFPVBQESA-N 0 0 191.230 2.124 10 30 AEEERN C=C/C(=N\O)c1ccccc1 100941567 573834936 /nfs/dbraw/zinc/83/49/36/573834936.db2.gz DIOMGHKDVSHOPS-MDZDMXLPSA-N 0 0 147.177 2.051 10 30 AEEERN Cc1c(CC#N)[nH]cc(C(F)F)c1=O 238532982 573834938 /nfs/dbraw/zinc/83/49/38/573834938.db2.gz VNOJIMVQLYHBHK-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CC[C@H](C#N)NCC1(C2CC2)CCC1 308764471 573834941 /nfs/dbraw/zinc/83/49/41/573834941.db2.gz ZQHKGAZQTVTPKN-LLVKDONJSA-N 0 0 192.306 2.458 10 30 AEEERN C=C(C)/C=C/C(C)(C)CO 238155537 573835226 /nfs/dbraw/zinc/83/52/26/573835226.db2.gz IXHDEAZTWAQENI-AATRIKPKSA-N 0 0 140.226 2.137 10 30 AEEERN N#C[C@H]1CCc2nc(Cl)ccc21 238532843 573835232 /nfs/dbraw/zinc/83/52/32/573835232.db2.gz MWBKPPOSHZMKLS-ZCFIWIBFSA-N 0 0 178.622 2.288 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)Cc1ccco1 43540700 573835047 /nfs/dbraw/zinc/83/50/47/573835047.db2.gz QNXMPLXVLWFOAD-ZJUUUORDSA-N 0 0 192.262 2.102 10 30 AEEERN C=C(C)[C@H](O)Cc1occc1C 238141290 573835081 /nfs/dbraw/zinc/83/50/81/573835081.db2.gz LAFUGMZADJIVKJ-SECBINFHSA-N 0 0 166.220 2.068 10 30 AEEERN CC[C@@H](C#N)NCCc1ccsc1 43541083 573835111 /nfs/dbraw/zinc/83/51/11/573835111.db2.gz MUIFHXSCXIYPAO-JTQLQIEISA-N 0 0 194.303 2.182 10 30 AEEERN C#CCONC[C@@H](CC)CCCC 308448059 573838445 /nfs/dbraw/zinc/83/84/45/573838445.db2.gz CBPHEALLRSAOFD-NSHDSACASA-N 0 0 183.295 2.357 10 30 AEEERN CC[C@H](C#N)NCCC1CCCC1 43540371 573838465 /nfs/dbraw/zinc/83/84/65/573838465.db2.gz MKEHKJKHIYIMGM-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN C=CC[C@H](C)[C@]1(O)C[C@H](C)O[C@@H]1C 715024360 573838467 /nfs/dbraw/zinc/83/84/67/573838467.db2.gz NDSHKULNZRAIOZ-UKKRHICBSA-N 0 0 184.279 2.127 10 30 AEEERN Cc1c[nH]c(=O)c(CC#N)c1C(F)F 238533818 573838598 /nfs/dbraw/zinc/83/85/98/573838598.db2.gz QZMFKYMDNNUGNR-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CCC(CC)N[C@@H](C#N)CC 43539073 573838654 /nfs/dbraw/zinc/83/86/54/573838654.db2.gz UQHWNCYQYLKUEU-SECBINFHSA-N 0 0 154.257 2.067 10 30 AEEERN CC(C)[C@H]1CC[C@H](C)C/C(=N/O)N1 238157872 573838784 /nfs/dbraw/zinc/83/87/84/573838784.db2.gz NVHYREPQGAZFBI-DTWKUNHWSA-N 0 0 184.283 2.208 10 30 AEEERN C=C(C)c1ccc(CCO)s1 238157711 573838804 /nfs/dbraw/zinc/83/88/04/573838804.db2.gz RRCWYJZLVRIKAN-UHFFFAOYSA-N 0 0 168.261 2.316 10 30 AEEERN Cc1c(C(F)F)[nH]cc(CC#N)c1=O 238534318 573838825 /nfs/dbraw/zinc/83/88/25/573838825.db2.gz NMSPBQYNANOBSO-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C/C(=C\c1ccccc1)[C@H](O)CC#N 308448428 573838845 /nfs/dbraw/zinc/83/88/45/573838845.db2.gz OIFVDUOAAVYZEC-BZYZDCJZSA-N 0 0 187.242 2.364 10 30 AEEERN C=C(C)c1cc(Cl)cnc1N 238157162 573838876 /nfs/dbraw/zinc/83/88/76/573838876.db2.gz FFWCDZSMMMXGSB-UHFFFAOYSA-N 0 0 168.627 2.350 10 30 AEEERN CC[C@H](C#N)NCc1ccc(C)cc1 43539347 573838914 /nfs/dbraw/zinc/83/89/14/573838914.db2.gz XJEBGTPPCQTYKX-GFCCVEGCSA-N 0 0 188.274 2.387 10 30 AEEERN CC(C)(C=O)[C@H]1COc2ccccc21 238157055 573838930 /nfs/dbraw/zinc/83/89/30/573838930.db2.gz PJCVDAPWUIJUSS-JTQLQIEISA-N 0 0 190.242 2.388 10 30 AEEERN Cc1cc(C)c(C[C@@H](C)O)cc1C#N 258150553 573838941 /nfs/dbraw/zinc/83/89/41/573838941.db2.gz UADSBSDMOXPUEP-SNVBAGLBSA-N 0 0 189.258 2.098 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)c1ccncc1 43539994 573838998 /nfs/dbraw/zinc/83/89/98/573838998.db2.gz SIUOOKVZEZAAPT-KOLCDFICSA-N 0 0 189.262 2.034 10 30 AEEERN CN[C@H](C#N)C[C@@H](C)c1ccccc1 43535149 573839009 /nfs/dbraw/zinc/83/90/09/573839009.db2.gz UQUCPIFPDIPFCW-PWSUYJOCSA-N 0 0 188.274 2.292 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)c1ccccn1 43540006 573839129 /nfs/dbraw/zinc/83/91/29/573839129.db2.gz OUADBTVHNRFZLI-ZJUUUORDSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@@H](C#N)NCc1cccc(F)c1 43539568 573839162 /nfs/dbraw/zinc/83/91/62/573839162.db2.gz PMHUZSJIVYOKQO-NSHDSACASA-N 0 0 192.237 2.217 10 30 AEEERN CCN[C@H](C#N)[C@H]1CCC[C@H](C)C1 84343696 573840575 /nfs/dbraw/zinc/84/05/75/573840575.db2.gz MBBIGLHSWRFKRY-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN N#C[C@H](F)Cc1cccc(F)c1 259623134 573841696 /nfs/dbraw/zinc/84/16/96/573841696.db2.gz FMDLEHBHBDCBEY-SECBINFHSA-N 0 0 167.158 2.230 10 30 AEEERN Cc1cc(C#N)c2[nH]ccc2c1 238534421 573839922 /nfs/dbraw/zinc/83/99/22/573839922.db2.gz POFYJYDEXWGXDA-UHFFFAOYSA-N 0 0 156.188 2.348 10 30 AEEERN CC(=O)[C@@H]1CC[C@H]2CCCC[C@@]21C=O 222714587 573840001 /nfs/dbraw/zinc/84/00/01/573840001.db2.gz CZGHDYIAYMKZIK-GRYCIOLGSA-N 0 0 194.274 2.361 10 30 AEEERN C[C@@H]1CCC[C@@H]([C@@H](C#N)NC2CC2)C1 84343729 573840053 /nfs/dbraw/zinc/84/00/53/573840053.db2.gz CJCNJKRUVRAJMR-CKYFFXLPSA-N 0 0 192.306 2.457 10 30 AEEERN Cc1cc(C)c(C[C@H](C)O)cc1C#N 258150550 573840103 /nfs/dbraw/zinc/84/01/03/573840103.db2.gz UADSBSDMOXPUEP-JTQLQIEISA-N 0 0 189.258 2.098 10 30 AEEERN C=C1C[C@H](c2ccc(C)cc2)NC1=O 238535054 573840142 /nfs/dbraw/zinc/84/01/42/573840142.db2.gz NORRZOIZUDFFNS-LLVKDONJSA-N 0 0 187.242 2.112 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)c1ccncc1 43539992 573840150 /nfs/dbraw/zinc/84/01/50/573840150.db2.gz SIUOOKVZEZAAPT-ONGXEEELSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@@H](C#N)NCc1cccc(C)c1 43540348 573840162 /nfs/dbraw/zinc/84/01/62/573840162.db2.gz DRQAWCRPYDDXAO-LBPRGKRZSA-N 0 0 188.274 2.387 10 30 AEEERN C=C(C)c1c(O)ccc(O)c1C 238156409 573840204 /nfs/dbraw/zinc/84/02/04/573840204.db2.gz MAXRLPHZSIUBOA-UHFFFAOYSA-N 0 0 164.204 2.439 10 30 AEEERN CC(C)(C=O)c1cc(Cl)ccn1 238157233 573840257 /nfs/dbraw/zinc/84/02/57/573840257.db2.gz XSKZSSGQGWUGGH-UHFFFAOYSA-N 0 0 183.638 2.212 10 30 AEEERN CO[C@H](C=O)Cc1ccccc1Cl 257887686 573840268 /nfs/dbraw/zinc/84/02/68/573840268.db2.gz SYKGSUFZYYYSRQ-VIFPVBQESA-N 0 0 198.649 2.096 10 30 AEEERN CC[C@H](C#N)NCc1ccccc1F 43539287 573840269 /nfs/dbraw/zinc/84/02/69/573840269.db2.gz ZHXACBVNIHYMRC-SNVBAGLBSA-N 0 0 192.237 2.217 10 30 AEEERN C=C(C)c1ccccc1[C@@H](N)C#N 238159146 573840313 /nfs/dbraw/zinc/84/03/13/573840313.db2.gz CVXQYANELSHNNQ-NSHDSACASA-N 0 0 172.231 2.243 10 30 AEEERN CCC/C(=C\C#C[C@@H](O)CC)OCC 308450351 573840345 /nfs/dbraw/zinc/84/03/45/573840345.db2.gz QUVHWSUZFJLHBG-OCUQMRJBSA-N 0 0 196.290 2.481 10 30 AEEERN C[C@]1(C(=O)C2=CCCC2)CCCO1 87229792 573840400 /nfs/dbraw/zinc/84/04/00/573840400.db2.gz JJNLTOHSGOVKSJ-LLVKDONJSA-N 0 0 180.247 2.235 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)c1cccnc1 43539979 573840448 /nfs/dbraw/zinc/84/04/48/573840448.db2.gz SZZZHFAJAOGMPX-GXSJLCMTSA-N 0 0 189.262 2.034 10 30 AEEERN CN[C@@H](C#N)C[C@@H](C)c1ccccc1 43535153 573840486 /nfs/dbraw/zinc/84/04/86/573840486.db2.gz UQUCPIFPDIPFCW-ZYHUDNBSSA-N 0 0 188.274 2.292 10 30 AEEERN Cc1cc(C#N)c2oncc2c1 238534894 573840487 /nfs/dbraw/zinc/84/04/87/573840487.db2.gz SUWYHKCJTCBNSR-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN CC[C@@H](C#N)OCc1ccc(N)cc1 43538518 573840512 /nfs/dbraw/zinc/84/05/12/573840512.db2.gz PXBXYIVQXTXIKQ-NSHDSACASA-N 0 0 190.246 2.088 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)c1ccncc1 43539993 573840545 /nfs/dbraw/zinc/84/05/45/573840545.db2.gz SIUOOKVZEZAAPT-GXSJLCMTSA-N 0 0 189.262 2.034 10 30 AEEERN CO[C@@H](C=O)Cc1ccccc1Cl 257887684 573843994 /nfs/dbraw/zinc/84/39/94/573843994.db2.gz SYKGSUFZYYYSRQ-SECBINFHSA-N 0 0 198.649 2.096 10 30 AEEERN C#C[C@@H](O)c1ccccc1C(=C)C 238159301 573844005 /nfs/dbraw/zinc/84/40/05/573844005.db2.gz TZBDDBGQKSTNHZ-GFCCVEGCSA-N 0 0 172.227 2.386 10 30 AEEERN C=C(C)c1cnc(N)cc1Cl 238159708 573844046 /nfs/dbraw/zinc/84/40/46/573844046.db2.gz GNJPFQBHPXOGBP-UHFFFAOYSA-N 0 0 168.627 2.350 10 30 AEEERN N#CC[C@H]1CCSCC[C@H]1F 259623358 573844175 /nfs/dbraw/zinc/84/41/75/573844175.db2.gz GJOQLKQEAXLEFT-JGVFFNPUSA-N 0 0 173.256 2.381 10 30 AEEERN CC[C@H](C#N)N(C)Cc1ccoc1 43556515 573844220 /nfs/dbraw/zinc/84/42/20/573844220.db2.gz AAJOYAJDRCWKEX-SNVBAGLBSA-N 0 0 178.235 2.014 10 30 AEEERN C=C(C)c1ccccc1[C@H]1O[C@@H]1CO 238159326 573844264 /nfs/dbraw/zinc/84/42/64/573844264.db2.gz KITAERBZDAZOJW-VXGBXAGGSA-N 0 0 190.242 2.152 10 30 AEEERN C=CCC(C)(C)[C@@H](O)C#CC1CC1 238163932 573844303 /nfs/dbraw/zinc/84/43/03/573844303.db2.gz HGHVOHXSSNXHFP-NSHDSACASA-N 0 0 178.275 2.363 10 30 AEEERN CC[C@H](C#N)OCc1ccco1 43556925 573844315 /nfs/dbraw/zinc/84/43/15/573844315.db2.gz GXYSAMSBALWCQZ-MRVPVSSYSA-N 0 0 165.192 2.098 10 30 AEEERN CC[C@H](C#N)N(CC)Cc1ccco1 43556509 573844334 /nfs/dbraw/zinc/84/43/34/573844334.db2.gz HTHBWXHZJMJAMG-SNVBAGLBSA-N 0 0 192.262 2.404 10 30 AEEERN C/C=C/C(=O)[C@@H]1Cc2ccccc2O1 221403721 573844348 /nfs/dbraw/zinc/84/43/48/573844348.db2.gz YAZBCVHBWODWIT-PWFBRDGFSA-N 0 0 188.226 2.135 10 30 AEEERN C=C(C)c1occc1C=O 238160517 573844357 /nfs/dbraw/zinc/84/43/57/573844357.db2.gz ABOLEQGLAUKTDX-UHFFFAOYSA-N 0 0 136.150 2.125 10 30 AEEERN C=C1[C@H](C(C)(C)C)[C@H]1C=O 238159472 573845731 /nfs/dbraw/zinc/84/57/31/573845731.db2.gz WHJCRFOPFYAPMS-YUMQZZPRSA-N 0 0 138.210 2.034 10 30 AEEERN C=CC[C@@H]1CC=C[C@H]1C(C)=O 238160342 573844442 /nfs/dbraw/zinc/84/44/42/573844442.db2.gz MDMRGSSVYAABCA-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN C=CCC(=O)CC(C)(C)C#N 238159324 573844476 /nfs/dbraw/zinc/84/44/76/573844476.db2.gz OFNSDXKIYRPROL-UHFFFAOYSA-N 0 0 151.209 2.071 10 30 AEEERN CC[C@H](C#N)N(C)Cc1ccsc1 43556312 573844491 /nfs/dbraw/zinc/84/44/91/573844491.db2.gz OTZIULHXGMYPDK-SNVBAGLBSA-N 0 0 194.303 2.482 10 30 AEEERN CCCN(C1CC1)[C@@H](C#N)CC 43556251 573844507 /nfs/dbraw/zinc/84/45/07/573844507.db2.gz UALOFDJLXZIQJU-SECBINFHSA-N 0 0 166.268 2.163 10 30 AEEERN CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@]21C=O 222714699 573844543 /nfs/dbraw/zinc/84/45/43/573844543.db2.gz CZGHDYIAYMKZIK-SDDRHHMPSA-N 0 0 194.274 2.361 10 30 AEEERN CC[C@H](C#N)N(C)Cc1ccoc1C 43556518 573844606 /nfs/dbraw/zinc/84/46/06/573844606.db2.gz PMZLZYRJWPJLHO-LLVKDONJSA-N 0 0 192.262 2.322 10 30 AEEERN CC(=O)[C@@H](C=C(C)C)CC#N 238161268 573844664 /nfs/dbraw/zinc/84/46/64/573844664.db2.gz FPINWRIULJFFCX-SECBINFHSA-N 0 0 151.209 2.071 10 30 AEEERN CC[C@@H](C#N)N(C)CCC(C)C 43556530 573845737 /nfs/dbraw/zinc/84/57/37/573845737.db2.gz JMTCGSOJXJFYJY-JTQLQIEISA-N 0 0 168.284 2.266 10 30 AEEERN CC1=C(NC(C)C)C(=O)CCC1 238161321 573845739 /nfs/dbraw/zinc/84/57/39/573845739.db2.gz XDHMULPOIPDPOD-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN CC[C@H](C#N)Oc1cccc(C=O)c1 43542712 573845769 /nfs/dbraw/zinc/84/57/69/573845769.db2.gz VXJHELBGYBKVNL-SNVBAGLBSA-N 0 0 189.214 2.180 10 30 AEEERN O=C[C@@H]1[C@@H](c2ccccc2)C1(F)F 101151048 573845816 /nfs/dbraw/zinc/84/58/16/573845816.db2.gz PIUAUYYLLNOTIU-RKDXNWHRSA-N 0 0 182.169 2.234 10 30 AEEERN CCCCCN(C)[C@@H](C#N)CC 43556275 573845849 /nfs/dbraw/zinc/84/58/49/573845849.db2.gz YQTZDPJALDLORO-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN C=CC[C@H]1CC=C[C@H]1C(C)=O 238160302 573845882 /nfs/dbraw/zinc/84/58/82/573845882.db2.gz MDMRGSSVYAABCA-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN C#CC1=C(/C=C\[C@H](O)C#C)CCCC1 308452974 573845909 /nfs/dbraw/zinc/84/59/09/573845909.db2.gz TUDALQIWUNZJML-ASCRHOAZSA-N 0 0 186.254 2.041 10 30 AEEERN COc1c(O)cc(C(C)C)cc1C#N 258158081 573845914 /nfs/dbraw/zinc/84/59/14/573845914.db2.gz UVXFCKKLXNSLIE-UHFFFAOYSA-N 0 0 191.230 2.396 10 30 AEEERN CCC(CC)N(C)[C@H](C#N)CC 43556345 573846174 /nfs/dbraw/zinc/84/61/74/573846174.db2.gz OOVMZWUSVXQBMI-JTQLQIEISA-N 0 0 168.284 2.409 10 30 AEEERN Cc1ccc2ncc(CC#N)n2c1C 238536914 573846200 /nfs/dbraw/zinc/84/62/00/573846200.db2.gz MHWBHDLOPBOVJS-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN CC[C@H](C#N)N(CC)CC(F)(F)F 43556817 573846215 /nfs/dbraw/zinc/84/62/15/573846215.db2.gz RPWXEVWNBZCQLF-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN C/C=C/C=N/c1nnc(C)s1 101163363 573846276 /nfs/dbraw/zinc/84/62/76/573846276.db2.gz RMSATGYYPHYOIU-SALQQRKASA-N 0 0 167.237 2.125 10 30 AEEERN CC[C@@H](C#N)N(CC)CC(C)C 43556267 573846288 /nfs/dbraw/zinc/84/62/88/573846288.db2.gz RHFONAVITIMFEQ-JTQLQIEISA-N 0 0 168.284 2.266 10 30 AEEERN Cc1nc(F)c(C#N)cc1C(F)F 238536370 573846379 /nfs/dbraw/zinc/84/63/79/573846379.db2.gz OOQNZMAZTAAXIA-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC[C@@H](C#N)N(C)[C@@H](C)C(C)C 43556342 573846401 /nfs/dbraw/zinc/84/64/01/573846401.db2.gz UBUULQZNLGWRIX-UWVGGRQHSA-N 0 0 168.284 2.265 10 30 AEEERN Cc1cc(F)c2[nH]cc(C#N)c2c1 238541625 573849583 /nfs/dbraw/zinc/84/95/83/573849583.db2.gz QLFZTOBJVMQWBE-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1cncc(C#N)c1C(F)F 238539299 573849643 /nfs/dbraw/zinc/84/96/43/573849643.db2.gz XDCNIKFPCMHVJH-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C=C(C)[C@H]1O[C@@H]1/C=C/Br 238150602 573848917 /nfs/dbraw/zinc/84/89/17/573848917.db2.gz ZEOSKUHOFQPEKP-KYNVUQBWSA-N 0 0 189.052 2.239 10 30 AEEERN CC[C@H](C#N)N(C)Cc1ccco1 43556304 573848930 /nfs/dbraw/zinc/84/89/30/573848930.db2.gz FDZLSCAPEAUDES-SECBINFHSA-N 0 0 178.235 2.014 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(OC)c1 43556978 573848956 /nfs/dbraw/zinc/84/89/56/573848956.db2.gz UPLFPLOQNPRDGC-VIFPVBQESA-N 0 0 191.230 2.376 10 30 AEEERN COCCCC=NN[C@H](C)C(C)C 308452497 573849047 /nfs/dbraw/zinc/84/90/47/573849047.db2.gz DZXBOGCEBSAGFX-SNVBAGLBSA-N 0 0 186.299 2.033 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1ccoc1 43556513 573849068 /nfs/dbraw/zinc/84/90/68/573849068.db2.gz AAJOYAJDRCWKEX-JTQLQIEISA-N 0 0 178.235 2.014 10 30 AEEERN CCCCN(CC)[C@@H](C#N)CC 43556069 573849108 /nfs/dbraw/zinc/84/91/08/573849108.db2.gz KYMXXIPNJSORFP-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN C=C[C@@H](C=O)C(C)(C)C=C 238153136 573849139 /nfs/dbraw/zinc/84/91/39/573849139.db2.gz HZBJCSYPNVFRJO-QMMMGPOBSA-N 0 0 138.210 2.200 10 30 AEEERN CON(CC(C)(C)C)[C@@H](C)CC#N 308453087 573849218 /nfs/dbraw/zinc/84/92/18/573849218.db2.gz FCTOADGDMPRFIR-VIFPVBQESA-N 0 0 184.283 2.198 10 30 AEEERN CC[C@H](C#N)N(C)CCC(C)C 43556532 573849239 /nfs/dbraw/zinc/84/92/39/573849239.db2.gz JMTCGSOJXJFYJY-SNVBAGLBSA-N 0 0 168.284 2.266 10 30 AEEERN CCCN(CC)[C@@H](C#N)CC 43556244 573849262 /nfs/dbraw/zinc/84/92/62/573849262.db2.gz GRIRINCPIQVGKU-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN C=C[C@@H](O)CCCC(C)C 238150690 573849280 /nfs/dbraw/zinc/84/92/80/573849280.db2.gz VBZPBTKMXKCXOP-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=CCCCCNc1ccc(N)cn1 308451894 573849310 /nfs/dbraw/zinc/84/93/10/573849310.db2.gz BTAAYOKXEUAADW-UHFFFAOYSA-N 0 0 191.278 2.432 10 30 AEEERN Cc1cncc(C(F)F)c1CC#N 238540006 573849355 /nfs/dbraw/zinc/84/93/55/573849355.db2.gz IVHRMQWUCDVADK-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=C(C)[C@](C)(O)[C@H](O)c1ccccc1 238153147 573849459 /nfs/dbraw/zinc/84/94/59/573849459.db2.gz UZGJTPNZLPDHDK-NEPJUHHUSA-N 0 0 192.258 2.047 10 30 AEEERN Cc1c(C=O)c2ccc(C#N)cc2n1C 257887837 573849491 /nfs/dbraw/zinc/84/94/91/573849491.db2.gz TUWXDYPGVZDBQS-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN CC[C@@H](C#N)N(CC)CC(F)(F)F 43556815 573849541 /nfs/dbraw/zinc/84/95/41/573849541.db2.gz RPWXEVWNBZCQLF-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C=C(C)[C@H]1CNc2ccccc2N1 238151737 573849567 /nfs/dbraw/zinc/84/95/67/573849567.db2.gz SDABCKUHAFBXAD-LLVKDONJSA-N 0 0 174.247 2.469 10 30 AEEERN C=CCc1ccc(O)c(C)c1O 238539266 573850622 /nfs/dbraw/zinc/85/06/22/573850622.db2.gz TVJBGXJDXMFZRO-UHFFFAOYSA-N 0 0 164.204 2.135 10 30 AEEERN C[C@H]1C[C@@]1(C#N)c1cccc(O)c1 259574868 573850627 /nfs/dbraw/zinc/85/06/27/573850627.db2.gz JQWIPDHSQIHQKO-KWQFWETISA-N 0 0 173.215 2.193 10 30 AEEERN C=C(C)[C@H]1OC(C)(C)C[C@]1(C)C=O 238150482 573850663 /nfs/dbraw/zinc/85/06/63/573850663.db2.gz FQMYHPRVNUBMCE-MWLCHTKSSA-N 0 0 182.263 2.335 10 30 AEEERN Cc1c(C)c(C#N)c(O)c(C)c1C#N 238539292 573850703 /nfs/dbraw/zinc/85/07/03/573850703.db2.gz KFRUUIUNEHJNSP-UHFFFAOYSA-N 0 0 186.214 2.061 10 30 AEEERN C=CCC(=C)Cl 79512172 573850782 /nfs/dbraw/zinc/85/07/82/573850782.db2.gz ALAQLTXXGQAQOL-UHFFFAOYSA-N 0 0 102.564 2.315 10 30 AEEERN C=CC(C)(C)[C@@H](O)C#C[Si](C)(C)C 238153347 573851366 /nfs/dbraw/zinc/85/13/66/573851366.db2.gz BLMOBECRGNDXOG-JTQLQIEISA-N 0 0 196.366 2.440 10 30 AEEERN CC(C)(C)[C@@H]1CC(=O)[C@](C)(C=O)C1 238150701 573850827 /nfs/dbraw/zinc/85/08/27/573850827.db2.gz UHHBYBDVPMOHBT-KCJUWKMLSA-N 0 0 182.263 2.217 10 30 AEEERN C=C1CC[C@H]1[C@H](O)CC(C)C 238152210 573851373 /nfs/dbraw/zinc/85/13/73/573851373.db2.gz OGBFEHSEPNUYMN-NXEZZACHSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)(C)C1CC(=O)C(=O)C1 238150369 573850915 /nfs/dbraw/zinc/85/09/15/573850915.db2.gz PTGZZMJUZQPYBN-LURJTMIESA-N 0 0 154.209 2.063 10 30 AEEERN C=C(C)[C@](C)(O)CNc1ccccc1 238153046 573850930 /nfs/dbraw/zinc/85/09/30/573850930.db2.gz ZHXFDMOBVVDVQJ-GFCCVEGCSA-N 0 0 191.274 2.426 10 30 AEEERN C=C(C)[C@H]1Cc2cc(O)ccc2O1 238152279 573850968 /nfs/dbraw/zinc/85/09/68/573850968.db2.gz GTORZDYJLNSWKR-LLVKDONJSA-N 0 0 176.215 2.272 10 30 AEEERN N#C[C@H]1CCCN(CCCCCF)C1 308455444 573851015 /nfs/dbraw/zinc/85/10/15/573851015.db2.gz DMSUBYNTAFJTEP-LLVKDONJSA-N 0 0 198.285 2.362 10 30 AEEERN C=CC[C@H](C)[C@@H](O)C[C@@H](C)COC 715027381 573851106 /nfs/dbraw/zinc/85/11/06/573851106.db2.gz BXYQBRUZNOFZIX-VWYCJHECSA-N 0 0 186.295 2.232 10 30 AEEERN C=C(C)[C@]1(C)CCC=CC1=O 238153443 573852734 /nfs/dbraw/zinc/85/27/34/573852734.db2.gz MNYQXIACWOWPJB-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@@H](C=O)OC1 238154526 573853409 /nfs/dbraw/zinc/85/34/09/573853409.db2.gz SSBIQSOHUIMWHJ-BDAKNGLRSA-N 0 0 170.252 2.027 10 30 AEEERN Cc1cncc(C(F)F)c1C#N 238539846 573852739 /nfs/dbraw/zinc/85/27/39/573852739.db2.gz BEVMVDOBINSOED-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN O[C@H](CCS)c1ccccc1F 259213032 573852849 /nfs/dbraw/zinc/85/28/49/573852849.db2.gz QZBAIAOASCRFIO-SECBINFHSA-N 0 0 186.251 2.179 10 30 AEEERN Cn1cc(CS)c2cc(N)ccc21 258162924 573853041 /nfs/dbraw/zinc/85/30/41/573853041.db2.gz XRLRLSXTRMSZHB-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN Cc1cccc2oc(CC=O)cc12 258153837 573853073 /nfs/dbraw/zinc/85/30/73/573853073.db2.gz LJDSGZWLIKOCKZ-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C#Cc1nc(C)ccc1Br 238530881 573853077 /nfs/dbraw/zinc/85/30/77/573853077.db2.gz CAMVULHJAFWINL-UHFFFAOYSA-N 0 0 196.047 2.134 10 30 AEEERN C=C/C=C/[C@@H](O)C(C)(C)C=C 238154394 573853316 /nfs/dbraw/zinc/85/33/16/573853316.db2.gz BDDGNYORVAZNOZ-FCZSHJHJSA-N 0 0 152.237 2.302 10 30 AEEERN CC(=O)[C@@H]1CC[C@@H](C(C)(C)C=O)C1 238165890 573853333 /nfs/dbraw/zinc/85/33/33/573853333.db2.gz XWDFURAVIZPPFE-NXEZZACHSA-N 0 0 182.263 2.217 10 30 AEEERN C=C=C(CCCCCC=O)C(=O)OC 215449542 573853357 /nfs/dbraw/zinc/85/33/57/573853357.db2.gz ZQDKXLFAOFRIJR-UHFFFAOYSA-N 0 0 196.246 2.020 10 30 AEEERN CC[C@H](C)[N@@H+]1CC[C@@H](C#N)[C@@H]1C 259210726 573855212 /nfs/dbraw/zinc/85/52/12/573855212.db2.gz JORWSEXYADZSEG-GUBZILKMSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H](C=O)c1ccc(O)c(Cl)c1 257889362 573854557 /nfs/dbraw/zinc/85/45/57/573854557.db2.gz NEHRIKVVAFKMAK-LURJTMIESA-N 0 0 184.622 2.348 10 30 AEEERN Cc1cc(C#N)c2c(c1)CCCC2=O 238542107 573854638 /nfs/dbraw/zinc/85/46/38/573854638.db2.gz HYKRHQIMBWMFEE-UHFFFAOYSA-N 0 0 185.226 2.386 10 30 AEEERN C=C(C)CN(CC)C(=O)C(C)(F)F 308454479 573854688 /nfs/dbraw/zinc/85/46/88/573854688.db2.gz FPAZKAIBMITERK-UHFFFAOYSA-N 0 0 191.221 2.066 10 30 AEEERN C=C[C@@](C)(C=O)CC(C)C 238166501 573854831 /nfs/dbraw/zinc/85/48/31/573854831.db2.gz VOXLYVNSCJOPQS-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN Cc1ccc(C#N)c2c1CCCC2=O 238542970 573854900 /nfs/dbraw/zinc/85/49/00/573854900.db2.gz FCDWPRNDRFDUPZ-UHFFFAOYSA-N 0 0 185.226 2.386 10 30 AEEERN C=C[C@@](C)(C=C(C)C)CO 238167045 573854923 /nfs/dbraw/zinc/85/49/23/573854923.db2.gz SOCGVZHEKJQVFY-VIFPVBQESA-N 0 0 140.226 2.137 10 30 AEEERN CC[C@H](C)[N@@H+]1CC[C@H](C#N)[C@H]1C 259210730 573855102 /nfs/dbraw/zinc/85/51/02/573855102.db2.gz JORWSEXYADZSEG-IVZWLZJFSA-N 0 0 166.268 2.019 10 30 AEEERN C=C(C)[C@]1(C)CCC(=O)C1 238153421 573856308 /nfs/dbraw/zinc/85/63/08/573856308.db2.gz SIHVPCPVEGXFEH-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H](CC=O)c1cc(CO)ccc1F 258158001 573856328 /nfs/dbraw/zinc/85/63/28/573856328.db2.gz UUIOSHKPIVMBOM-MRVPVSSYSA-N 0 0 196.221 2.011 10 30 AEEERN COc1ccccc1NC[C@@H](C)S 197062712 573856340 /nfs/dbraw/zinc/85/63/40/573856340.db2.gz KYVGEBWOIJTVFK-MRVPVSSYSA-N 0 0 197.303 2.425 10 30 AEEERN C=CC(C)(C)[C@H](O)C1(C)CC1 238154235 573856361 /nfs/dbraw/zinc/85/63/61/573856361.db2.gz OVIDFNVVWCHIBX-QMMMGPOBSA-N 0 0 154.253 2.360 10 30 AEEERN CC1(C)CC[N@@H+]([C@@H]2CCC[C@@H]2C#N)C1 87254234 573856385 /nfs/dbraw/zinc/85/63/85/573856385.db2.gz SVHDHVVINXKRDK-GHMZBOCLSA-N 0 0 192.306 2.411 10 30 AEEERN CC(=O)[C@@H]1CC[C@@](C)(C=O)C1(C)C 238166385 573856420 /nfs/dbraw/zinc/85/64/20/573856420.db2.gz HLZPJZAPIVKGTB-ONGXEEELSA-N 0 0 182.263 2.217 10 30 AEEERN N#Cc1cnc(-c2cccc(F)c2)o1 238542707 573856547 /nfs/dbraw/zinc/85/65/47/573856547.db2.gz NEXWTYOMBVYYPU-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN CC(C)(C)[C@@]1(c2ccoc2)O[C@H]1C=O 238166783 573856639 /nfs/dbraw/zinc/85/66/39/573856639.db2.gz FQHKGOWXGITDOW-ONGXEEELSA-N 0 0 194.230 2.119 10 30 AEEERN CC(=O)[C@@H]1CC[C@H](C(C)(C)C=O)C1 238166624 573856646 /nfs/dbraw/zinc/85/66/46/573856646.db2.gz XWDFURAVIZPPFE-ZJUUUORDSA-N 0 0 182.263 2.217 10 30 AEEERN C[C@H](C#N)C[C@H]1CCCCC1=O 197068001 573856727 /nfs/dbraw/zinc/85/67/27/573856727.db2.gz WCEIGNLPFWCGNZ-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN C=CC[C@H](C)OC1CCC(O)CC1 715028446 573856759 /nfs/dbraw/zinc/85/67/59/573856759.db2.gz JBVHCWAMOAMXCK-WHXUTIOJSA-N 0 0 184.279 2.271 10 30 AEEERN C=C[C@H](CCO)[C@H](C=O)CC=C(C)C 238153779 573856810 /nfs/dbraw/zinc/85/68/10/573856810.db2.gz OJNPTMAMRSSCSN-NEPJUHHUSA-N 0 0 196.290 2.342 10 30 AEEERN C[C@@H](CC=O)c1ccc2c(c1)CCO2 258157934 573856861 /nfs/dbraw/zinc/85/68/61/573856861.db2.gz USNPTLHXIODETL-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN CNc1cc(C#N)ccc1OC(F)F 306455426 573857060 /nfs/dbraw/zinc/85/70/60/573857060.db2.gz QPYKPPRYJOZOTJ-UHFFFAOYSA-N 0 0 198.172 2.201 10 30 AEEERN Cc1ccc(C#N)c2sncc12 238544237 573857098 /nfs/dbraw/zinc/85/70/98/573857098.db2.gz CZQLPAMDQXTSHF-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN N#CCc1cc(F)c(C(F)F)cn1 238544068 573857101 /nfs/dbraw/zinc/85/71/01/573857101.db2.gz LIHWFURYXOPIJL-UHFFFAOYSA-N 0 0 186.136 2.224 10 30 AEEERN Cc1ccc(C#N)cc1C(O)=S 238544432 573857249 /nfs/dbraw/zinc/85/72/49/573857249.db2.gz WKDAKHNXJFJVQI-UHFFFAOYSA-N 0 0 177.228 2.100 10 30 AEEERN Cc1ccc(C#N)cc1C1(C#N)CC1 238544450 573857251 /nfs/dbraw/zinc/85/72/51/573857251.db2.gz IFVQMLPRBSPNRZ-UHFFFAOYSA-N 0 0 182.226 2.422 10 30 AEEERN C=C[C@H](O)c1cc(C)cc(C)c1O 238544241 573857259 /nfs/dbraw/zinc/85/72/59/573857259.db2.gz AQMUEYBJZONEKB-JTQLQIEISA-N 0 0 178.231 2.228 10 30 AEEERN Cc1c(O)cnc(C(F)F)c1CC#N 238544203 573857378 /nfs/dbraw/zinc/85/73/78/573857378.db2.gz DNOFTFBYHRCCEP-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CC[C@@H](C)OC1CCC(O)CC1 715028445 573857423 /nfs/dbraw/zinc/85/74/23/573857423.db2.gz JBVHCWAMOAMXCK-KPPDAEKUSA-N 0 0 184.279 2.271 10 30 AEEERN CC(C)(C)[C@H](C=O)c1ccc[nH]1 238167420 573857477 /nfs/dbraw/zinc/85/74/77/573857477.db2.gz BOUVCLKTNMEMPV-MRVPVSSYSA-N 0 0 165.236 2.343 10 30 AEEERN CCCCCCCC(N)=CC(=O)OC 308456617 573857496 /nfs/dbraw/zinc/85/74/96/573857496.db2.gz XNKAEJYXEJHHBQ-KTKRTIGZSA-N 0 0 199.294 2.363 10 30 AEEERN Cc1ccc(C#N)c2nc(N)sc12 238544033 573857499 /nfs/dbraw/zinc/85/74/99/573857499.db2.gz WQLSVHNTAZCVFL-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN Cc1ccc(C#N)c2nc(Cl)[nH]c12 238543991 573857557 /nfs/dbraw/zinc/85/75/57/573857557.db2.gz RDUBSACSAKTRQQ-UHFFFAOYSA-N 0 0 191.621 2.396 10 30 AEEERN O=CC[C@@H]1Cc2c(F)cccc2S1 258157765 573857560 /nfs/dbraw/zinc/85/75/60/573857560.db2.gz LMZYYRMFSKXIHA-SSDOTTSWSA-N 0 0 196.246 2.432 10 30 AEEERN CC(C)(O)C#CCc1ccccc1 238168316 573857572 /nfs/dbraw/zinc/85/75/72/573857572.db2.gz SAGQSHVQKMBXGO-UHFFFAOYSA-N 0 0 174.243 2.003 10 30 AEEERN CO[C@@H](CC=O)c1ccccc1C 257890382 573857581 /nfs/dbraw/zinc/85/75/81/573857581.db2.gz NIOOXYUAYJXLTC-NSHDSACASA-N 0 0 178.231 2.272 10 30 AEEERN Cc1ccc(C#N)c2cnsc12 238543911 573857614 /nfs/dbraw/zinc/85/76/14/573857614.db2.gz FGWKINUNFDLUEF-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN CN1C[C@H](C=O)c2c(Cl)cccc21 258157634 573857624 /nfs/dbraw/zinc/85/76/24/573857624.db2.gz RITNGQAZFJTPCJ-SSDOTTSWSA-N 0 0 195.649 2.072 10 30 AEEERN C=CC[C@H](O)c1cccc(C)c1O 238544110 573858000 /nfs/dbraw/zinc/85/80/00/573858000.db2.gz NHSBXJODLDFQAJ-JTQLQIEISA-N 0 0 178.231 2.310 10 30 AEEERN C=C[C@@H](CO)c1c(C)cc(C)cc1O 238546846 573860079 /nfs/dbraw/zinc/86/00/79/573860079.db2.gz XIVSBKVJWKQWMC-JTQLQIEISA-N 0 0 192.258 2.271 10 30 AEEERN Cc1ccc(C#N)c2[nH]c(=S)[nH]c12 238544054 573858164 /nfs/dbraw/zinc/85/81/64/573858164.db2.gz ZYIVWLZVZPKMNX-UHFFFAOYSA-N 0 0 189.243 2.032 10 30 AEEERN Cc1ccc(C#N)c2oncc12 238544130 573858242 /nfs/dbraw/zinc/85/82/42/573858242.db2.gz NYNDDWAHWIRXIF-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN CC(C)=C[C@@]1(C=O)CCCC[C@H]1O 238167814 573858254 /nfs/dbraw/zinc/85/82/54/573858254.db2.gz OKQJEHQRCNSASM-GHMZBOCLSA-N 0 0 182.263 2.073 10 30 AEEERN C=C[C@@H](CCCCCC=O)C(=O)OC 215450715 573858324 /nfs/dbraw/zinc/85/83/24/573858324.db2.gz ICGKUAPLZJNSSM-JTQLQIEISA-N 0 0 198.262 2.111 10 30 AEEERN C=C[C@H](CCCCCC=O)C(=O)OC 215450665 573858380 /nfs/dbraw/zinc/85/83/80/573858380.db2.gz ICGKUAPLZJNSSM-SNVBAGLBSA-N 0 0 198.262 2.111 10 30 AEEERN C[C@H](C#N)C[C@@H]1CCCCC1=O 197067979 573858412 /nfs/dbraw/zinc/85/84/12/573858412.db2.gz WCEIGNLPFWCGNZ-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C=C[C@@H](O)c1cc(C)cc(C)c1O 238544391 573858444 /nfs/dbraw/zinc/85/84/44/573858444.db2.gz AQMUEYBJZONEKB-SNVBAGLBSA-N 0 0 178.231 2.228 10 30 AEEERN C[C@@H](C#N)C[C@H]1CCCCC1=O 197068011 573858519 /nfs/dbraw/zinc/85/85/19/573858519.db2.gz WCEIGNLPFWCGNZ-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN COCCCC[C@@]1(C#N)CCCC1=O 131376840 573860863 /nfs/dbraw/zinc/86/08/63/573860863.db2.gz DERWVCBKMMQJNH-NSHDSACASA-N 0 0 195.262 2.066 10 30 AEEERN CC(C)=C[C@H](O)C#Cc1ccccc1 238168965 573860920 /nfs/dbraw/zinc/86/09/20/573860920.db2.gz LHCZPCFXFWLRER-CYBMUJFWSA-N 0 0 186.254 2.365 10 30 AEEERN N#Cc1cc2ccoc2cc1F 238547117 573861061 /nfs/dbraw/zinc/86/10/61/573861061.db2.gz BKZCPVVKDSPRJJ-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN Cc1cccc(C2(C#N)CC2)c1O 238546349 573861130 /nfs/dbraw/zinc/86/11/30/573861130.db2.gz UZDOYVAFXURROX-UHFFFAOYSA-N 0 0 173.215 2.256 10 30 AEEERN C=CCN(/C(=N\C#N)SC)C(C)C 131367389 573861152 /nfs/dbraw/zinc/86/11/52/573861152.db2.gz DXPSKBVEZRJPRX-PKNBQFBNSA-N 0 0 197.307 2.083 10 30 AEEERN N#CCNc1ccc2ccccc2n1 238547366 573861232 /nfs/dbraw/zinc/86/12/32/573861232.db2.gz HHOXLPFSQLPUTG-UHFFFAOYSA-N 0 0 183.214 2.170 10 30 AEEERN COCCCCC1(C#N)CCC1 131373547 573861329 /nfs/dbraw/zinc/86/13/29/573861329.db2.gz QMSNWKHVTHUJKB-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN C=C(C)CC(=O)[C@@]1(C)CCCO1 122932780 573861364 /nfs/dbraw/zinc/86/13/64/573861364.db2.gz XEIBGDOBPRDZEK-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CC(C)[C@@H]1CC(=O)[C@H](C)[C@@H](C#N)C1 238169640 573861414 /nfs/dbraw/zinc/86/14/14/573861414.db2.gz ZRXOWVZOZVZALE-KXUCPTDWSA-N 0 0 179.263 2.397 10 30 AEEERN C=C(CNc1ccccc1)C(C)(C)O 238169473 573861548 /nfs/dbraw/zinc/86/15/48/573861548.db2.gz UWCHQDHQKJOFAN-UHFFFAOYSA-N 0 0 191.274 2.426 10 30 AEEERN C=CC(=O)c1cscc1C 87287927 573864280 /nfs/dbraw/zinc/86/42/80/573864280.db2.gz AQAHOTSLFJIISL-UHFFFAOYSA-N 0 0 152.218 2.425 10 30 AEEERN Cc1cc(OC(C)C)nc(C)c1C#N 306740212 573864329 /nfs/dbraw/zinc/86/43/29/573864329.db2.gz SYDFQGFNPRTDNG-UHFFFAOYSA-N 0 0 190.246 2.357 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CO[C@H](C(C)C)C1 715029319 573864373 /nfs/dbraw/zinc/86/43/73/573864373.db2.gz PWXFEUBXIWLVFM-SDDRHHMPSA-N 0 0 198.306 2.375 10 30 AEEERN OCCCCC(=NO)c1ccccc1 308457306 573864417 /nfs/dbraw/zinc/86/44/17/573864417.db2.gz YDCLLEPZALDOEC-UHFFFAOYSA-N 0 0 193.246 2.028 10 30 AEEERN C[C@](O)(CC#N)c1cc(F)cc(F)c1 87283643 573864441 /nfs/dbraw/zinc/86/44/41/573864441.db2.gz GFBXXTFHMXSAMB-JTQLQIEISA-N 0 0 197.184 2.086 10 30 AEEERN O=CC(F)(F)C[C@H]1CCCSC1 257890703 573864449 /nfs/dbraw/zinc/86/44/49/573864449.db2.gz XAIKTDRLNFTIEJ-SSDOTTSWSA-N 0 0 194.246 2.354 10 30 AEEERN COc1ccc(F)c(N[C@@H](C)C#N)c1 87287103 573864465 /nfs/dbraw/zinc/86/44/65/573864465.db2.gz NVKNJJLNAJHBSI-ZETCQYMHSA-N 0 0 194.209 2.158 10 30 AEEERN CC1(C)C=CC(=O)C1(C)C 238171505 573864481 /nfs/dbraw/zinc/86/44/81/573864481.db2.gz FOMWRSGYNRQRAM-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C\[C@H](O)CC(CCC)=NN(C)C 308457320 573864570 /nfs/dbraw/zinc/86/45/70/573864570.db2.gz YEVPBAHYVSALRV-YYJSQXQTSA-N 0 0 198.310 2.031 10 30 AEEERN O=CC1(c2ccccc2F)CC(F)C1 257890849 573864623 /nfs/dbraw/zinc/86/46/23/573864623.db2.gz XCBONQMOKHLIFP-UHFFFAOYSA-N 0 0 196.196 2.394 10 30 AEEERN Cc1ccc([C@@H](C)C=O)cc1F 87285387 573864631 /nfs/dbraw/zinc/86/46/31/573864631.db2.gz HPNIPVAYYFXYBL-QMMMGPOBSA-N 0 0 166.195 2.437 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@@H]1CCOC1(C)C 715030991 573864643 /nfs/dbraw/zinc/86/46/43/573864643.db2.gz TWVZZPHYTDTRJX-GARJFASQSA-N 0 0 198.306 2.375 10 30 AEEERN C[C@@](O)(CC#N)c1cc(F)cc(F)c1 87283641 573864662 /nfs/dbraw/zinc/86/46/62/573864662.db2.gz GFBXXTFHMXSAMB-SNVBAGLBSA-N 0 0 197.184 2.086 10 30 AEEERN C=C(C#Cc1ccc(C)cc1)CCO 238540622 573864693 /nfs/dbraw/zinc/86/46/93/573864693.db2.gz WSYKDKUXNSCUAP-UHFFFAOYSA-N 0 0 186.254 2.285 10 30 AEEERN C[C@]12CCC(=O)C=C1[C@H]1C[C@H]1C2 238540405 573864713 /nfs/dbraw/zinc/86/47/13/573864713.db2.gz BPFLCHHVCRCXKV-OVYXKVPISA-N 0 0 162.232 2.322 10 30 AEEERN C[C@@](F)(C=O)c1cccs1 258440910 573864749 /nfs/dbraw/zinc/86/47/49/573864749.db2.gz FAYVGNJPVLKDJL-SSDOTTSWSA-N 0 0 158.197 2.132 10 30 AEEERN CC[C@]1(C#N)CC1(C)C 259040346 573864771 /nfs/dbraw/zinc/86/47/71/573864771.db2.gz SWBCMSSCCZYAEN-MRVPVSSYSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@@]1(C#N)CC1(C)C 259040347 573864783 /nfs/dbraw/zinc/86/47/83/573864783.db2.gz SWBCMSSCCZYAEN-QMMMGPOBSA-N 0 0 123.199 2.336 10 30 AEEERN N#CC[C@@H]1Cc2ccccc2CO1 238549213 573864802 /nfs/dbraw/zinc/86/48/02/573864802.db2.gz KZWQVHLVBDOVPJ-LLVKDONJSA-N 0 0 173.215 2.042 10 30 AEEERN C=CC(=O)c1ccc(Cl)cn1 87285676 573864804 /nfs/dbraw/zinc/86/48/04/573864804.db2.gz GHKILEILPOABQM-UHFFFAOYSA-N 0 0 167.595 2.104 10 30 AEEERN CC(C)[C@H]1C[C@H](C)C=CC1=O 238169969 573864827 /nfs/dbraw/zinc/86/48/27/573864827.db2.gz HHWMEPKRDOLWKU-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1nn(C(C)(C)C)c(C)c1CC#N 257889717 573871028 /nfs/dbraw/zinc/87/10/28/573871028.db2.gz WYDYJCXIPBOKIC-UHFFFAOYSA-N 0 0 191.278 2.321 10 30 AEEERN O=CCC1=Cc2cccc(F)c2C1 238550710 573871206 /nfs/dbraw/zinc/87/12/06/573871206.db2.gz NKUUEPNBOJXRLJ-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN C=C[C@@](C)(C=O)C(C)(C)C 238163425 573871438 /nfs/dbraw/zinc/87/14/38/573871438.db2.gz FAIQADJUOYTHDS-VIFPVBQESA-N 0 0 140.226 2.424 10 30 AEEERN CC(C)Nc1ccc(C#N)cc1C#N 238163744 573871459 /nfs/dbraw/zinc/87/14/59/573871459.db2.gz ZKKWCWBJCKNCIS-UHFFFAOYSA-N 0 0 185.230 2.250 10 30 AEEERN Cc1coc2cc(C#N)c(CO)cc12 238550295 573871589 /nfs/dbraw/zinc/87/15/89/573871589.db2.gz KELXNUMBZRUELO-UHFFFAOYSA-N 0 0 187.198 2.105 10 30 AEEERN CC(=O)C1=C(C)Nc2ccccc2N1 238163471 573871624 /nfs/dbraw/zinc/87/16/24/573871624.db2.gz XUENWJHEUZDTFI-UHFFFAOYSA-N 0 0 188.230 2.345 10 30 AEEERN CO[C@](C)(C=O)Cc1ccccc1C 257889669 573871638 /nfs/dbraw/zinc/87/16/38/573871638.db2.gz WWNBECNHPPRJCR-LBPRGKRZSA-N 0 0 192.258 2.142 10 30 AEEERN N#CC[C@H]1Cc2ccccc2CO1 238549942 573871646 /nfs/dbraw/zinc/87/16/46/573871646.db2.gz KZWQVHLVBDOVPJ-NSHDSACASA-N 0 0 173.215 2.042 10 30 AEEERN N#Cc1cc2c(cc1F)CCCC2=O 238541235 573871720 /nfs/dbraw/zinc/87/17/20/573871720.db2.gz PCUFLOUKORXYST-UHFFFAOYSA-N 0 0 189.189 2.216 10 30 AEEERN C[C@@H](F)[C@@H](C=O)C1CCCC1 258441177 573871777 /nfs/dbraw/zinc/87/17/77/573871777.db2.gz FCISDDUDFXQTJZ-VXNVDRBHSA-N 0 0 158.216 2.350 10 30 AEEERN Cc1cc(C#N)c(=O)[nH]c1[C@H]1C[C@H]1C 306748575 573871794 /nfs/dbraw/zinc/87/17/94/573871794.db2.gz GVIHQHMLZXSXBX-MUWHJKNJSA-N 0 0 188.230 2.091 10 30 AEEERN N#CCc1ccccc1C1(C#N)CC1 238550601 573872369 /nfs/dbraw/zinc/87/23/69/573872369.db2.gz PMQPLUAVZYSWSN-UHFFFAOYSA-N 0 0 182.226 2.308 10 30 AEEERN CC(C)=C[C@@H]1C[C@@H]1CC=O 238164594 573872429 /nfs/dbraw/zinc/87/24/29/573872429.db2.gz YXUCZIXYYBTZFO-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)=C[C@]1(C=O)CCCC[C@@H]1O 238172671 573872436 /nfs/dbraw/zinc/87/24/36/573872436.db2.gz OKQJEHQRCNSASM-QWRGUYRKSA-N 0 0 182.263 2.073 10 30 AEEERN N#Cc1ccc(F)cc1C1(C#N)CC1 238550688 573872437 /nfs/dbraw/zinc/87/24/37/573872437.db2.gz CQQSATAUPOJJFU-UHFFFAOYSA-N 0 0 186.189 2.253 10 30 AEEERN O=C(CS)C1CCCCC1 80062946 573872507 /nfs/dbraw/zinc/87/25/07/573872507.db2.gz MTQUHRATDBOUBP-UHFFFAOYSA-N 0 0 158.266 2.066 10 30 AEEERN Cc1cncc(CC#N)c1C(F)F 238540972 573872524 /nfs/dbraw/zinc/87/25/24/573872524.db2.gz OKKVJMGMIOGRLL-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1cccnc1 715037628 573872571 /nfs/dbraw/zinc/87/25/71/573872571.db2.gz SFLVVHWEKIKNJU-ONGXEEELSA-N 0 0 177.247 2.327 10 30 AEEERN C=CC[C@H](C)NOCC(F)(F)F 715038382 573872606 /nfs/dbraw/zinc/87/26/06/573872606.db2.gz IDXWUQGNDJNNSC-LURJTMIESA-N 0 0 183.173 2.035 10 30 AEEERN Cc1ccc([C@H](O)CC=O)cc1Cl 235757342 573872664 /nfs/dbraw/zinc/87/26/64/573872664.db2.gz MWQJMYPAZCERTB-SNVBAGLBSA-N 0 0 198.649 2.271 10 30 AEEERN Cc1cc(C2CCC2)nc(CS)n1 259217161 573872699 /nfs/dbraw/zinc/87/26/99/573872699.db2.gz XTJDWVPPLHMQCU-UHFFFAOYSA-N 0 0 194.303 2.482 10 30 AEEERN C=CCC(C)(C)[C@H](O)C#CC1CC1 238164287 573872721 /nfs/dbraw/zinc/87/27/21/573872721.db2.gz HGHVOHXSSNXHFP-LLVKDONJSA-N 0 0 178.275 2.363 10 30 AEEERN CC(C)C[C@@H]1[C@@H](O)CC[C@@]1(C)C#N 238163810 573872772 /nfs/dbraw/zinc/87/27/72/573872772.db2.gz TUYBRVWTANMGEN-VWYCJHECSA-N 0 0 181.279 2.333 10 30 AEEERN C=C1Cc2cccc(C)c2C1=O 238550113 573872860 /nfs/dbraw/zinc/87/28/60/573872860.db2.gz HAIMAAYZFURDAT-UHFFFAOYSA-N 0 0 158.200 2.290 10 30 AEEERN CC1(C)C[C@]1(C#N)c1cc[nH]c1 258976385 573872990 /nfs/dbraw/zinc/87/29/90/573872990.db2.gz IZAWBWIHNVFANK-JTQLQIEISA-N 0 0 160.220 2.206 10 30 AEEERN C[C@H](O)c1ccc(Cl)cc1C#N 306747849 573873059 /nfs/dbraw/zinc/87/30/59/573873059.db2.gz FCJKBDANNPZGBG-LURJTMIESA-N 0 0 181.622 2.265 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1cccnc1 715037627 573873790 /nfs/dbraw/zinc/87/37/90/573873790.db2.gz SFLVVHWEKIKNJU-MWLCHTKSSA-N 0 0 177.247 2.327 10 30 AEEERN CC(C)=C[C@]1(C=O)CCCC[C@H]1O 238172685 573873845 /nfs/dbraw/zinc/87/38/45/573873845.db2.gz OKQJEHQRCNSASM-MNOVXSKESA-N 0 0 182.263 2.073 10 30 AEEERN N#Cc1cc2cc(C#N)c(N)cc2s1 306740680 573873893 /nfs/dbraw/zinc/87/38/93/573873893.db2.gz UBEGTNZUCSCQTE-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN Cc1ccc(C(C)(C)C#N)c(N)c1 238552320 573874067 /nfs/dbraw/zinc/87/40/67/573874067.db2.gz GZARAJJMUFVPRC-UHFFFAOYSA-N 0 0 174.247 2.378 10 30 AEEERN CCN(C)N=C1CCC[C@@H]1CCF 308460115 573874162 /nfs/dbraw/zinc/87/41/62/573874162.db2.gz HBUXVCBVNCSQCF-SECBINFHSA-N 0 0 186.274 2.454 10 30 AEEERN N#Cc1ccc2cc(N)sc2c1C#N 306742505 573874167 /nfs/dbraw/zinc/87/41/67/573874167.db2.gz VXZWJGFMNPRJRO-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CCC(=O)/C=C/C=C\[C@H](C)[C@H](O)CC 308459813 573874258 /nfs/dbraw/zinc/87/42/58/573874258.db2.gz ZRSXBEYTFQCFGN-XXNITXQESA-N 0 0 196.290 2.485 10 30 AEEERN CON=Cc1cc(Cl)ccc1OC 308460323 573874382 /nfs/dbraw/zinc/87/43/82/573874382.db2.gz HEDIWMDUYRQPGO-UHFFFAOYSA-N 0 0 199.637 2.329 10 30 AEEERN N#C[C@@H]1CCc2cccc(F)c21 238551138 573874410 /nfs/dbraw/zinc/87/44/10/573874410.db2.gz HTFOXAKMXJJQKB-QMMMGPOBSA-N 0 0 161.179 2.379 10 30 AEEERN C[C@H](F)[C@@H](C=O)C1CCCC1 258441171 573874605 /nfs/dbraw/zinc/87/46/05/573874605.db2.gz FCISDDUDFXQTJZ-IONNQARKSA-N 0 0 158.216 2.350 10 30 AEEERN N#CCC[C@@]1(F)CCCCC1=O 238551325 573874614 /nfs/dbraw/zinc/87/46/14/573874614.db2.gz CCVLPKMEXKXQPL-VIFPVBQESA-N 0 0 169.199 2.142 10 30 AEEERN O=C[C@H]1CCc2cccc(F)c21 238551265 573875694 /nfs/dbraw/zinc/87/56/94/573875694.db2.gz WGHNKNBLTQYFLC-MRVPVSSYSA-N 0 0 164.179 2.054 10 30 AEEERN COc1cc(C#N)c(Cl)c(OC)c1 306747588 573874857 /nfs/dbraw/zinc/87/48/57/573874857.db2.gz FMYZNFPUMZCAGN-UHFFFAOYSA-N 0 0 197.621 2.229 10 30 AEEERN C#C[C@](O)(/C=C/Cl)C(C)(C)C 238164802 573874862 /nfs/dbraw/zinc/87/48/62/573874862.db2.gz LYGSDSOXSUNBHV-UCUJLANTSA-N 0 0 172.655 2.149 10 30 AEEERN N#Cc1cc2scc(N)c2cc1C#N 306744883 573874942 /nfs/dbraw/zinc/87/49/42/573874942.db2.gz ZAGWJINWXNCJRN-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CCN(C)N=C1CCC[C@H]1CCF 308460127 573874950 /nfs/dbraw/zinc/87/49/50/573874950.db2.gz HBUXVCBVNCSQCF-VIFPVBQESA-N 0 0 186.274 2.454 10 30 AEEERN CC(C)(C)[C@@](F)(Cl)C=O 238164357 573875088 /nfs/dbraw/zinc/87/50/88/573875088.db2.gz QPXKVRTZRQJRDY-ZCFIWIBFSA-N 0 0 152.596 2.136 10 30 AEEERN Cc1cc(CNCC#N)cc(C)c1F 87315084 573875196 /nfs/dbraw/zinc/87/51/96/573875196.db2.gz NGZYESPOPGGWDN-UHFFFAOYSA-N 0 0 192.237 2.056 10 30 AEEERN Cc1ccc([C@]2(C)C[C@@H]2C=O)cc1 238551383 573875267 /nfs/dbraw/zinc/87/52/67/573875267.db2.gz WLOIQNZHWMUBKT-NEPJUHHUSA-N 0 0 174.243 2.472 10 30 AEEERN CC(C)(C)[C@@](C)(Cl)C=O 238163601 573875320 /nfs/dbraw/zinc/87/53/20/573875320.db2.gz DCRFXGJVCWAJCB-ZETCQYMHSA-N 0 0 148.633 2.229 10 30 AEEERN O=C[C@](F)(Cl)c1ccccc1 238551101 573875399 /nfs/dbraw/zinc/87/53/99/573875399.db2.gz YCODFTBFIMHOQI-MRVPVSSYSA-N 0 0 172.586 2.247 10 30 AEEERN Cc1ccsc1CN[C@@H](C)C#N 87309854 573875443 /nfs/dbraw/zinc/87/54/43/573875443.db2.gz WDRBDNVCYHGBMJ-QMMMGPOBSA-N 0 0 180.276 2.058 10 30 AEEERN N#C[C@H]1Cc2cccc(F)c2C1 238551637 573875555 /nfs/dbraw/zinc/87/55/55/573875555.db2.gz SKJBSZAHJSCUPT-ZETCQYMHSA-N 0 0 161.179 2.064 10 30 AEEERN CC(C)(O)CC1=CC[C@H](C=O)CC1 238176170 573877184 /nfs/dbraw/zinc/87/71/84/573877184.db2.gz WFRKRDWCFHPKPN-JTQLQIEISA-N 0 0 182.263 2.073 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CO[C@@H](CC)C1 715039614 573877281 /nfs/dbraw/zinc/87/72/81/573877281.db2.gz XZCWJWBLZLVEKG-GARJFASQSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1ccc(C(C)(C)C#N)cc1N 238552471 573877315 /nfs/dbraw/zinc/87/73/15/573877315.db2.gz ZAZMJUNQTKHJKN-UHFFFAOYSA-N 0 0 174.247 2.378 10 30 AEEERN C[C@@H](F)c1cc(C#N)c2c(c1)OCO2 258171058 573877342 /nfs/dbraw/zinc/87/73/42/573877342.db2.gz VUPMCCRJMUPVRD-ZCFIWIBFSA-N 0 0 193.177 2.317 10 30 AEEERN O=C[C@@](F)(Cl)Cc1ccccc1 238551155 573877355 /nfs/dbraw/zinc/87/73/55/573877355.db2.gz ZYQYEFVXOKNJPR-SECBINFHSA-N 0 0 186.613 2.333 10 30 AEEERN N#Cc1cnc2cccc(Cl)c2n1 307121244 573877586 /nfs/dbraw/zinc/87/75/86/573877586.db2.gz KTCJSCGKWGJQJG-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN CN(CS)CCc1cccc(F)c1 258981890 573877587 /nfs/dbraw/zinc/87/75/87/573877587.db2.gz WLDHTKJDRWFXAI-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN C[C@H](F)c1cc(C#N)c2c(c1)OCO2 258171055 573877613 /nfs/dbraw/zinc/87/76/13/573877613.db2.gz VUPMCCRJMUPVRD-LURJTMIESA-N 0 0 193.177 2.317 10 30 AEEERN N#Cc1cc(F)ncc1C(F)F 238551758 573877797 /nfs/dbraw/zinc/87/77/97/573877797.db2.gz GHPXFCDXYUNPRO-UHFFFAOYSA-N 0 0 172.109 2.030 10 30 AEEERN Cc1ccc([C@]2(C)C[C@H]2C=O)cc1 238551395 573877864 /nfs/dbraw/zinc/87/78/64/573877864.db2.gz WLOIQNZHWMUBKT-RYUDHWBXSA-N 0 0 174.243 2.472 10 30 AEEERN N#CCc1cccc(C2(C#N)CC2)c1 238552817 573879179 /nfs/dbraw/zinc/87/91/79/573879179.db2.gz INMZPBUHESVAIK-UHFFFAOYSA-N 0 0 182.226 2.308 10 30 AEEERN C1=CN[C@H](/N=C/c2ccccc2)C=C1 238553057 573879570 /nfs/dbraw/zinc/87/95/70/573879570.db2.gz LOCRUVZARAOASP-HLVNSREUSA-N 0 0 184.242 2.105 10 30 AEEERN N#Cc1cc2c(cc1Cl)C(=O)CC2 238552992 573879577 /nfs/dbraw/zinc/87/95/77/573879577.db2.gz QMBHJGKDASHWFK-UHFFFAOYSA-N 0 0 191.617 2.341 10 30 AEEERN N#CCc1nc(C2CCCC2)c[nH]1 238553784 573879653 /nfs/dbraw/zinc/87/96/53/573879653.db2.gz FHVIICYFCGSHMV-UHFFFAOYSA-N 0 0 175.235 2.133 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CCO[C@@H](C)C1 715042844 573879673 /nfs/dbraw/zinc/87/96/73/573879673.db2.gz GTPSFPPYDDJSDW-GARJFASQSA-N 0 0 184.279 2.129 10 30 AEEERN COc1cccc(N(C)CS)c1 258982075 573879714 /nfs/dbraw/zinc/87/97/14/573879714.db2.gz WMSVPTGJQLDKRR-UHFFFAOYSA-N 0 0 183.276 2.019 10 30 AEEERN N#Cc1ccc2nc(F)sc2c1 238553092 573879752 /nfs/dbraw/zinc/87/97/52/573879752.db2.gz RSDQTFWWOCASDA-UHFFFAOYSA-N 0 0 178.191 2.307 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CCO[C@@H](C)C1 715042843 573879804 /nfs/dbraw/zinc/87/98/04/573879804.db2.gz GTPSFPPYDDJSDW-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CCO[C@H](C)C1 715042841 573880364 /nfs/dbraw/zinc/88/03/64/573880364.db2.gz GTPSFPPYDDJSDW-AXFHLTTASA-N 0 0 184.279 2.129 10 30 AEEERN COc1ccc([C@@](C)(F)C=O)cc1 257895882 573880409 /nfs/dbraw/zinc/88/04/09/573880409.db2.gz OEQZWVGMBDPRIB-JTQLQIEISA-N 0 0 182.194 2.079 10 30 AEEERN CC[C@H](CC=O)C(C)(F)F 258518948 573880416 /nfs/dbraw/zinc/88/04/16/573880416.db2.gz LZYMQJBJMPJYHJ-ZCFIWIBFSA-N 0 0 150.168 2.257 10 30 AEEERN C=CC[C@@H](C)[C@](C)(O)CCCOC 715040319 573880509 /nfs/dbraw/zinc/88/05/09/573880509.db2.gz ZMTBYSMXSOYJPI-GHMZBOCLSA-N 0 0 186.295 2.376 10 30 AEEERN N#CCc1cnc(-c2ccco2)o1 238553350 573880570 /nfs/dbraw/zinc/88/05/70/573880570.db2.gz XVDJCCFFQWGMNV-UHFFFAOYSA-N 0 0 174.159 2.001 10 30 AEEERN CCC#C[C@@H](O)c1ccc(OC)cc1 238177898 573880596 /nfs/dbraw/zinc/88/05/96/573880596.db2.gz OADWHWFUXMSBEQ-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN CC1(C)OC2(CCCCC2)O[C@@H]1C=O 238178938 573880640 /nfs/dbraw/zinc/88/06/40/573880640.db2.gz CETGIIUMTMXSMU-SECBINFHSA-N 0 0 198.262 2.040 10 30 AEEERN C[C@H](S[C@H](C)[C@H](C)S)[C@@H](C)O 101751093 573880677 /nfs/dbraw/zinc/88/06/77/573880677.db2.gz PHLKBLKTWMSFGF-VGRMVHKJSA-N 0 0 194.365 2.196 10 30 AEEERN C=CCCC[C@@H](O)C#CCC 238178571 573880709 /nfs/dbraw/zinc/88/07/09/573880709.db2.gz FKJRGZDISLGLRG-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN C#CCCCC#C[C@H](O)C1(C)CCC1 238177885 573880836 /nfs/dbraw/zinc/88/08/36/573880836.db2.gz KQLBGPQBXXUKOZ-LBPRGKRZSA-N 0 0 190.286 2.344 10 30 AEEERN C=CCCC[C@H](O)C#CCC 238177850 573880843 /nfs/dbraw/zinc/88/08/43/573880843.db2.gz FKJRGZDISLGLRG-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN CC1=C[C@@H]2C[C@@H](C=O)C[C@@H]2C1 238179051 573880872 /nfs/dbraw/zinc/88/08/72/573880872.db2.gz UBZKPGHCBJHMCT-BBBLOLIVSA-N 0 0 150.221 2.178 10 30 AEEERN CN[C@H](C#N)c1ccc(C)c(C)c1C 259217594 573880928 /nfs/dbraw/zinc/88/09/28/573880928.db2.gz FZKXCHCYYCBGGT-GFCCVEGCSA-N 0 0 188.274 2.396 10 30 AEEERN C=C(Cl)[C@@H](O)C(C)(C)C 238178701 573880968 /nfs/dbraw/zinc/88/09/68/573880968.db2.gz MYUZZRKUNJSAGH-ZCFIWIBFSA-N 0 0 148.633 2.146 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CS[C@H](C)C1 715040396 573880977 /nfs/dbraw/zinc/88/09/77/573880977.db2.gz ZRTCYLRDNKMCNO-IVZWLZJFSA-N 0 0 186.320 2.455 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CCO[C@H](C)C1 715042846 573881173 /nfs/dbraw/zinc/88/11/73/573881173.db2.gz GTPSFPPYDDJSDW-HBNTYKKESA-N 0 0 184.279 2.129 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CCCOCC1 715044202 573883861 /nfs/dbraw/zinc/88/38/61/573883861.db2.gz UOFSZWZGFWVMIM-WDEREUQCSA-N 0 0 184.279 2.130 10 30 AEEERN C=C1COC2=C1C(=O)CC(C)(C)C2 238177654 573883945 /nfs/dbraw/zinc/88/39/45/573883945.db2.gz GDWSCMKIZMGTAT-UHFFFAOYSA-N 0 0 178.231 2.216 10 30 AEEERN CC(C)(C)[C@@H](C#N)c1ccncn1 258985600 573883950 /nfs/dbraw/zinc/88/39/50/573883950.db2.gz AHSIABDIXADPIR-QMMMGPOBSA-N 0 0 175.235 2.130 10 30 AEEERN CC(C)(C)[C@H](O)CC#Cn1cccc1 238178937 573883250 /nfs/dbraw/zinc/88/32/50/573883250.db2.gz VTQRJGCLXBEDGG-LLVKDONJSA-N 0 0 191.274 2.094 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CCCOCC1 715044201 573883380 /nfs/dbraw/zinc/88/33/80/573883380.db2.gz UOFSZWZGFWVMIM-QWRGUYRKSA-N 0 0 184.279 2.130 10 30 AEEERN CC1([C@H](F)C=O)CCCCC1 238178589 573883409 /nfs/dbraw/zinc/88/34/09/573883409.db2.gz XJOCPFRXWKKANZ-MRVPVSSYSA-N 0 0 158.216 2.494 10 30 AEEERN Cc1cccc(CCC(=O)CC#N)c1 41203795 573883432 /nfs/dbraw/zinc/88/34/32/573883432.db2.gz NEWQURCEWILUMU-UHFFFAOYSA-N 0 0 187.242 2.410 10 30 AEEERN C[C@H](C#N)C(=O)C1(C)CCCC1 87316762 573883435 /nfs/dbraw/zinc/88/34/35/573883435.db2.gz KHMKBNHKOGCEJD-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C)[C@H](O)C(Cl)(Cl)C#N 238178673 573883521 /nfs/dbraw/zinc/88/35/21/573883521.db2.gz BRAGPAVMUHWEOQ-YFKPBYRVSA-N 0 0 196.077 2.091 10 30 AEEERN CC1(C)OC2(CCCCC2)O[C@H]1C=O 238178975 573883594 /nfs/dbraw/zinc/88/35/94/573883594.db2.gz CETGIIUMTMXSMU-VIFPVBQESA-N 0 0 198.262 2.040 10 30 AEEERN CCC1(C(=O)CC#N)CCCC1 87316759 573883646 /nfs/dbraw/zinc/88/36/46/573883646.db2.gz MSHONUIWLVJMLR-UHFFFAOYSA-N 0 0 165.236 2.440 10 30 AEEERN Cc1ccc(CCC(=O)CC#N)cc1 41203798 573883694 /nfs/dbraw/zinc/88/36/94/573883694.db2.gz IFEOTQAIGLIUPS-UHFFFAOYSA-N 0 0 187.242 2.410 10 30 AEEERN CCC#C/C=C/Br 238178953 573883747 /nfs/dbraw/zinc/88/37/47/573883747.db2.gz LNXVYGHUYNEMIL-AATRIKPKSA-N 0 0 159.026 2.308 10 30 AEEERN C=CCN1CCC(C)(C)[C@H](C#N)C1 259220745 573883779 /nfs/dbraw/zinc/88/37/79/573883779.db2.gz KFZZYKOEKOCLOD-SNVBAGLBSA-N 0 0 178.279 2.044 10 30 AEEERN C#CCOCOc1ccc(Cl)cc1 215403200 573883790 /nfs/dbraw/zinc/88/37/90/573883790.db2.gz QPCMRKHRNCYENK-UHFFFAOYSA-N 0 0 196.633 2.326 10 30 AEEERN Cc1c[nH]c(C)c1[C@H]1CC1(C#N)C#N 238554447 573885344 /nfs/dbraw/zinc/88/53/44/573885344.db2.gz IDCOMCZJSUTEGT-SECBINFHSA-N 0 0 185.230 2.152 10 30 AEEERN CC(C)(C)[C@H](C#N)c1ccncn1 258985597 573885464 /nfs/dbraw/zinc/88/54/64/573885464.db2.gz AHSIABDIXADPIR-MRVPVSSYSA-N 0 0 175.235 2.130 10 30 AEEERN CC(C)[C@@H]1CCC2=C(CCCC2=O)N1 238179423 573885545 /nfs/dbraw/zinc/88/55/45/573885545.db2.gz AAKBFEATJYGKES-JTQLQIEISA-N 0 0 193.290 2.402 10 30 AEEERN C=CCNc1ccc(N)c(F)c1 258983854 573885634 /nfs/dbraw/zinc/88/56/34/573885634.db2.gz OTNIYMGYJBYJAK-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN N#Cc1cccc(C(F)(F)F)c1C#N 144934972 573890091 /nfs/dbraw/zinc/89/00/91/573890091.db2.gz MBFWTYDIPGKKBX-UHFFFAOYSA-N 0 0 196.131 2.449 10 30 AEEERN Cc1ccc(NCCCS)o1 258988137 573889414 /nfs/dbraw/zinc/88/94/14/573889414.db2.gz YTBWFVFVDFFSIJ-UHFFFAOYSA-N 0 0 171.265 2.320 10 30 AEEERN C=CC[C@H](C(C)=O)C(F)(F)F 144962057 573889573 /nfs/dbraw/zinc/88/95/73/573889573.db2.gz JWUMOTXITDKQTA-ZCFIWIBFSA-N 0 0 166.142 2.330 10 30 AEEERN C[C@@H]1C[C@]1(C#N)c1ccccc1 76592380 573889605 /nfs/dbraw/zinc/88/96/05/573889605.db2.gz MONJODNFHURZOR-MWLCHTKSSA-N 0 0 157.216 2.488 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1cncn1CC 715046966 573889735 /nfs/dbraw/zinc/88/97/35/573889735.db2.gz QJDQGHZPYXBASL-KOLCDFICSA-N 0 0 194.278 2.149 10 30 AEEERN C=C[C@@H](O)CC1SCCCS1 144949307 573889762 /nfs/dbraw/zinc/88/97/62/573889762.db2.gz GHNZLERVZXHDFH-SSDOTTSWSA-N 0 0 190.333 2.120 10 30 AEEERN N#Cc1cc2scc(N)c2cc1F 307127534 573889965 /nfs/dbraw/zinc/88/99/65/573889965.db2.gz VXMVJXSNNNCJMQ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC(C)=C=CC(=O)C1=CCCC1 238180900 573890000 /nfs/dbraw/zinc/89/00/00/573890000.db2.gz RLIQFDARPBFTMY-UHFFFAOYSA-N 0 0 162.232 2.325 10 30 AEEERN N#Cc1cnoc1C1CCCC1 84427502 573890014 /nfs/dbraw/zinc/89/00/14/573890014.db2.gz ZSMCXORXKPULQF-UHFFFAOYSA-N 0 0 162.192 2.204 10 30 AEEERN O=CCc1c(O)ccc2ccccc12 144990459 573893877 /nfs/dbraw/zinc/89/38/77/573893877.db2.gz IOABJCTUNLORSM-UHFFFAOYSA-N 0 0 186.210 2.287 10 30 AEEERN Cc1ccc(-c2c[nH]c(CC#N)n2)o1 258987252 573893893 /nfs/dbraw/zinc/89/38/93/573893893.db2.gz AOJQYLFTXKFQOF-UHFFFAOYSA-N 0 0 187.202 2.044 10 30 AEEERN N#Cc1ccc(NCc2cnco2)cc1 84413347 573893245 /nfs/dbraw/zinc/89/32/45/573893245.db2.gz RMFIWYMWWKQBGK-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN C=C[C@@H](O)/C=C/CCCC 238193557 573893355 /nfs/dbraw/zinc/89/33/55/573893355.db2.gz YLBUZFPQHAKRPP-FCZSHJHJSA-N 0 0 140.226 2.280 10 30 AEEERN CCCC1(C2(C#N)CCC2)COC1 258519424 573893444 /nfs/dbraw/zinc/89/34/44/573893444.db2.gz GZZGVSILGQVTEN-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN C[C@@]1(C=O)Cc2c(Cl)cccc2O1 259221347 573893483 /nfs/dbraw/zinc/89/34/83/573893483.db2.gz AYUIANRYTUYGCP-JTQLQIEISA-N 0 0 196.633 2.233 10 30 AEEERN CCC[C@@H]1CCCN([C@H](C)C#N)C1 306359240 573893500 /nfs/dbraw/zinc/89/35/00/573893500.db2.gz KZQPBVHPSVGLBG-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN COc1cccc2c1[C@H](CC=O)CC2 257894815 573893558 /nfs/dbraw/zinc/89/35/58/573893558.db2.gz XTJRQVHDCZIPPY-JTQLQIEISA-N 0 0 190.242 2.314 10 30 AEEERN C[C@@H]1CCO[C@H]1C(=O)C1=CCCC1 123010410 573893577 /nfs/dbraw/zinc/89/35/77/573893577.db2.gz KYTTUCXRXZDSNG-LDYMZIIASA-N 0 0 180.247 2.091 10 30 AEEERN Cc1ccc(-c2nc(C#N)c[nH]2)s1 238563371 573893587 /nfs/dbraw/zinc/89/35/87/573893587.db2.gz UJNYNNCOOSHNSF-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN CCC[C@@H]1CCCN([C@@H](C)C#N)C1 306359245 573893624 /nfs/dbraw/zinc/89/36/24/573893624.db2.gz KZQPBVHPSVGLBG-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN C=C1C(=O)C=CC(C)(C)[C@@H]1C 145004141 573893633 /nfs/dbraw/zinc/89/36/33/573893633.db2.gz SNISDVAKXKSZTB-MRVPVSSYSA-N 0 0 150.221 2.344 10 30 AEEERN O=CC(F)(F)c1cccc(F)c1 257894715 573893655 /nfs/dbraw/zinc/89/36/55/573893655.db2.gz NXRKQNBUQOFQSM-UHFFFAOYSA-N 0 0 174.121 2.116 10 30 AEEERN C[C@H]1CCO[C@@H]1C(=O)C1=CCCC1 123010188 573893669 /nfs/dbraw/zinc/89/36/69/573893669.db2.gz KYTTUCXRXZDSNG-KWQFWETISA-N 0 0 180.247 2.091 10 30 AEEERN N#Cc1cccc2c(N)c(F)sc12 307129589 573893702 /nfs/dbraw/zinc/89/37/02/573893702.db2.gz QCDBCWDZONZUIR-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CCC[C@H]1CCCN([C@@H](C)C#N)C1 306359244 573893727 /nfs/dbraw/zinc/89/37/27/573893727.db2.gz KZQPBVHPSVGLBG-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCC(N)=NC(=S)c1ccccc1 238181104 573893733 /nfs/dbraw/zinc/89/37/33/573893733.db2.gz URJWDLSHCDBVTJ-UHFFFAOYSA-N 0 0 192.287 2.129 10 30 AEEERN C=C1C(=O)C=CC(C)(C)[C@H]1C 145004319 573893757 /nfs/dbraw/zinc/89/37/57/573893757.db2.gz SNISDVAKXKSZTB-QMMMGPOBSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1CC[C@@H](CCO)C1(C)C 197116286 573893788 /nfs/dbraw/zinc/89/37/88/573893788.db2.gz WBHCKTOVJQYUQV-VIFPVBQESA-N 0 0 154.253 2.361 10 30 AEEERN Cc1cc2c(cc1[C@H]1O[C@H]1C)OCO2 259223981 573894930 /nfs/dbraw/zinc/89/49/30/573894930.db2.gz JJLAQQBJYJPWQC-CPCISQLKSA-N 0 0 192.214 2.184 10 30 AEEERN C[C@@H](CC=O)c1cccc2c1OCC2 258173701 573894932 /nfs/dbraw/zinc/89/49/32/573894932.db2.gz WAOMWTWUFITHGH-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN C=C1c2cnc(Cl)nc2NC1(C)C 238175000 573894947 /nfs/dbraw/zinc/89/49/47/573894947.db2.gz XWYWKLHYOBRYHX-UHFFFAOYSA-N 0 0 195.653 2.347 10 30 AEEERN C=CC[C@H]1C=CC(C)(C)[C@@H]1O 238174244 573894955 /nfs/dbraw/zinc/89/49/55/573894955.db2.gz LPXGAJOVOCETEG-DTWKUNHWSA-N 0 0 152.237 2.136 10 30 AEEERN C#C[C@@H](O)c1ccc(Cl)cc1C 235764745 573895770 /nfs/dbraw/zinc/89/57/70/573895770.db2.gz PEOCIAABNXYNJH-SNVBAGLBSA-N 0 0 180.634 2.315 10 30 AEEERN N#Cc1cc2cc([N+](=O)[O-])ccc2o1 150112114 573895075 /nfs/dbraw/zinc/89/50/75/573895075.db2.gz UNXBDLCRIKLANK-UHFFFAOYSA-N 0 0 188.142 2.213 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1cncn1CC 715046970 573895148 /nfs/dbraw/zinc/89/51/48/573895148.db2.gz QJDQGHZPYXBASL-MWLCHTKSSA-N 0 0 194.278 2.149 10 30 AEEERN CCc1cc(C)nc([C@H](C#N)CC)n1 259222303 573895149 /nfs/dbraw/zinc/89/51/49/573895149.db2.gz YDQAKSAXRKBKLA-VIFPVBQESA-N 0 0 189.262 2.365 10 30 AEEERN C=C(C)[C@H](O)CCC#CCC 238174584 573895223 /nfs/dbraw/zinc/89/52/23/573895223.db2.gz MDAZDSKFYQYBMD-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN Cc1cc2c(cc1[C@@H]1O[C@H]1C)OCO2 259224027 573895317 /nfs/dbraw/zinc/89/53/17/573895317.db2.gz JJLAQQBJYJPWQC-WRWORJQWSA-N 0 0 192.214 2.184 10 30 AEEERN Cc1cc2c(cc1[C@@H]1O[C@@H]1C)OCO2 259224020 573895343 /nfs/dbraw/zinc/89/53/43/573895343.db2.gz JJLAQQBJYJPWQC-RDDDGLTNSA-N 0 0 192.214 2.184 10 30 AEEERN COc1ccc(C(=O)C#N)cc1Cl 259227008 573895432 /nfs/dbraw/zinc/89/54/32/573895432.db2.gz QJYOOOARMXZAKI-UHFFFAOYSA-N 0 0 195.605 2.055 10 30 AEEERN N#CC1(C2CCCCC2)COC1 258519433 573895516 /nfs/dbraw/zinc/89/55/16/573895516.db2.gz HAFHOMPYGRCRSE-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN CC1=CC(=O)[C@H](C)[C@H]1C(C)C 238174025 573895658 /nfs/dbraw/zinc/89/56/58/573895658.db2.gz UKVOHBJJWNYKLT-WPRPVWTQSA-N 0 0 152.237 2.424 10 30 AEEERN CN[C@H](c1ccc[nH]1)[C@@H](C#N)C(C)C 259227168 573895936 /nfs/dbraw/zinc/89/59/36/573895936.db2.gz MLMBLMRUQNICDG-ONGXEEELSA-N 0 0 191.278 2.071 10 30 AEEERN CCC[C@H](C#N)OC(=O)[C@@H](C)CC 308460894 573896031 /nfs/dbraw/zinc/89/60/31/573896031.db2.gz HLQOIVSNRWJMHG-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@H](C)Nc1cnccc1C#N 84444159 573896041 /nfs/dbraw/zinc/89/60/41/573896041.db2.gz LVJWWIAOOFLJQR-QMMMGPOBSA-N 0 0 175.235 2.164 10 30 AEEERN O=C1CCC[C@H]2CCCC=C12 102298918 573896052 /nfs/dbraw/zinc/89/60/52/573896052.db2.gz MJNDOEOGSDEHEB-MRVPVSSYSA-N 0 0 150.221 2.466 10 30 AEEERN C=CC[C@H]1C=CC(C)(C)[C@H]1O 238174216 573896127 /nfs/dbraw/zinc/89/61/27/573896127.db2.gz LPXGAJOVOCETEG-IUCAKERBSA-N 0 0 152.237 2.136 10 30 AEEERN CC1(C)C=C[C@H]1CCC=O 238174343 573896156 /nfs/dbraw/zinc/89/61/56/573896156.db2.gz AIADWEJBVJQEIR-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1ccc(N)c2scc(C#N)c12 306765465 573896294 /nfs/dbraw/zinc/89/62/94/573896294.db2.gz AXMHUERMPXMXTQ-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CCC[C@@H]1OC 715052934 573896315 /nfs/dbraw/zinc/89/63/15/573896315.db2.gz JNCDKHRMEYYTEW-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN CN[C@@H](c1cc[nH]c1)[C@@H](C#N)C(C)C 259224842 573896319 /nfs/dbraw/zinc/89/63/19/573896319.db2.gz MHNSRYIAYPPGIB-QWRGUYRKSA-N 0 0 191.278 2.071 10 30 AEEERN C=C(C)[C@@H]1CCCCO1 102300913 573896398 /nfs/dbraw/zinc/89/63/98/573896398.db2.gz ONHYBNYWPASUPJ-QMMMGPOBSA-N 0 0 126.199 2.132 10 30 AEEERN CCc1cc(C)nc([C@@H](C#N)CC)n1 259222300 573896569 /nfs/dbraw/zinc/89/65/69/573896569.db2.gz YDQAKSAXRKBKLA-SECBINFHSA-N 0 0 189.262 2.365 10 30 AEEERN CC1(C)C=C[C@@H]1CCC=O 238173873 573896636 /nfs/dbraw/zinc/89/66/36/573896636.db2.gz AIADWEJBVJQEIR-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN CCC#CCCC1=C(C)[C@@H](O)C1 238174031 573896667 /nfs/dbraw/zinc/89/66/67/573896667.db2.gz HOKXRGFTCYYMOF-NSHDSACASA-N 0 0 164.248 2.261 10 30 AEEERN C=C1[C@H](C(C)=O)[C@@H]1C(C)(C)C 238174118 573896687 /nfs/dbraw/zinc/89/66/87/573896687.db2.gz AXNFEWYXAJBXHG-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@@H](C)Nc1cnccc1C#N 84444157 573897845 /nfs/dbraw/zinc/89/78/45/573897845.db2.gz LVJWWIAOOFLJQR-MRVPVSSYSA-N 0 0 175.235 2.164 10 30 AEEERN CC[C@@H](C#N)[S@](=O)CCC(C)C 233828541 573897930 /nfs/dbraw/zinc/89/79/30/573897930.db2.gz PHVQWVCSJSGKLO-JOYOIKCWSA-N 0 0 187.308 2.083 10 30 AEEERN CCO[C@](C)(C#N)C1(C)CC1 87368918 573897963 /nfs/dbraw/zinc/89/79/63/573897963.db2.gz XSVASKWJWYENPL-SECBINFHSA-N 0 0 153.225 2.105 10 30 AEEERN CC1(C[C@@H](N)C#N)CCCCC1 238174189 573898034 /nfs/dbraw/zinc/89/80/34/573898034.db2.gz RGTYZPIRNWFPJA-SECBINFHSA-N 0 0 166.268 2.198 10 30 AEEERN CC(C)(C)[C@H](C#N)c1cnccn1 258992988 573898176 /nfs/dbraw/zinc/89/81/76/573898176.db2.gz AVNIUPRZAUEFAT-MRVPVSSYSA-N 0 0 175.235 2.130 10 30 AEEERN CC(C)N1C=CC=CC(=O)C1(C)C 238174872 573898238 /nfs/dbraw/zinc/89/82/38/573898238.db2.gz YMERBXGHAWSARC-UHFFFAOYSA-N 0 0 179.263 2.128 10 30 AEEERN CC[C@H](C#N)[C@@](C)(O)C1(C)CC1 87369130 573898321 /nfs/dbraw/zinc/89/83/21/573898321.db2.gz CUNICZXMQOCRHY-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN Oc1ccc2[nH]cc(CS)c2c1 257901791 573898367 /nfs/dbraw/zinc/89/83/67/573898367.db2.gz BBHDJKJINFHJQD-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN CC1([C@](C)(O)C2(C#N)CCC2)CC1 87369199 573898403 /nfs/dbraw/zinc/89/84/03/573898403.db2.gz RTGRLXQTXHBHFB-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN N#Cc1cnoc1-c1ccccc1F 84450900 573898413 /nfs/dbraw/zinc/89/84/13/573898413.db2.gz NVNTVUWCHLVMNB-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN CCc1ccc2nc(C#N)oc2c1 306766615 573898454 /nfs/dbraw/zinc/89/84/54/573898454.db2.gz BMWGDOTZJUKYDO-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN CC(C)(C)[C@@H](C#N)c1cnccn1 258992989 573898499 /nfs/dbraw/zinc/89/84/99/573898499.db2.gz AVNIUPRZAUEFAT-QMMMGPOBSA-N 0 0 175.235 2.130 10 30 AEEERN CN[C@H](c1ccc[nH]1)[C@H](C#N)C(C)C 259227161 573898504 /nfs/dbraw/zinc/89/85/04/573898504.db2.gz MLMBLMRUQNICDG-KOLCDFICSA-N 0 0 191.278 2.071 10 30 AEEERN Fc1ccc(F)c(NCS)c1 258988755 573898516 /nfs/dbraw/zinc/89/85/16/573898516.db2.gz XHTBFCWQURUVBO-UHFFFAOYSA-N 0 0 175.203 2.264 10 30 AEEERN CCC[C@@H](C#N)OC(=O)[C@H](C)CC 308460891 573898564 /nfs/dbraw/zinc/89/85/64/573898564.db2.gz HLQOIVSNRWJMHG-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN CC1([C@](C)(C#N)N2CCCC2)CC1 87366457 573898569 /nfs/dbraw/zinc/89/85/69/573898569.db2.gz ULADKXNNKZJJBD-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN CC1(C)CCC/C(=N\O)C1 102277603 573898609 /nfs/dbraw/zinc/89/86/09/573898609.db2.gz YJTYWSWRBZQVPA-VQHVLOKHSA-N 0 0 141.214 2.417 10 30 AEEERN CC(F)(F)[C@H](CC=O)C1CC1 258443501 573900301 /nfs/dbraw/zinc/90/03/01/573900301.db2.gz FHFGWHVBYWAINJ-SSDOTTSWSA-N 0 0 162.179 2.257 10 30 AEEERN CC(C)=NC[C@H](O)c1ccccc1 238175515 573900357 /nfs/dbraw/zinc/90/03/57/573900357.db2.gz IQOXCLVFQUJQIH-NSHDSACASA-N 0 0 177.247 2.201 10 30 AEEERN CC1(C)CC(=O)CC(=NO)C1 238189670 573900412 /nfs/dbraw/zinc/90/04/12/573900412.db2.gz DUOPWVQLQMCAJE-RMKNXTFCSA-N 0 0 155.197 2.079 10 30 AEEERN Cc1ccc([C@@]2(C#N)C[C@@H]2C)o1 258992029 573900425 /nfs/dbraw/zinc/90/04/25/573900425.db2.gz LIIUPGAFHQQYME-OIBJUYFYSA-N 0 0 161.204 2.389 10 30 AEEERN N#Cc1c[nH]nc1-c1ccccc1F 84450238 573900453 /nfs/dbraw/zinc/90/04/53/573900453.db2.gz GWRRUMGYUWANAI-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN Cc1ccc([C@]2(C#N)C[C@@H]2C)o1 258992038 573900594 /nfs/dbraw/zinc/90/05/94/573900594.db2.gz LIIUPGAFHQQYME-XVKPBYJWSA-N 0 0 161.204 2.389 10 30 AEEERN CC(C)(C#N)[C@@](C)(O)C1(C)CC1 87369216 573900604 /nfs/dbraw/zinc/90/06/04/573900604.db2.gz PJMXGCBNSQZBKJ-SNVBAGLBSA-N 0 0 167.252 2.087 10 30 AEEERN C#CCC1=CCC(C)(C)C[C@H]1O 238190945 573900608 /nfs/dbraw/zinc/90/06/08/573900608.db2.gz XPGXBBAJJIZHLB-SNVBAGLBSA-N 0 0 164.248 2.117 10 30 AEEERN CC[C@@](C)(C#N)[C@@](C)(O)C1(C)CC1 87369099 573900611 /nfs/dbraw/zinc/90/06/11/573900611.db2.gz VELIOOKKQSDURR-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@@]2(C#N)C[C@H]2C)o1 258992026 573900619 /nfs/dbraw/zinc/90/06/19/573900619.db2.gz LIIUPGAFHQQYME-GMSGAONNSA-N 0 0 161.204 2.389 10 30 AEEERN CC[C@@H](C#N)[C@](C)(O)C1(C)CC1 87369122 573900735 /nfs/dbraw/zinc/90/07/35/573900735.db2.gz CUNICZXMQOCRHY-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN C=C=C(CC)C(=O)CC 238190882 573900776 /nfs/dbraw/zinc/90/07/76/573900776.db2.gz HYBWNIJRSQVTRE-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN CCC[C@@H](C#N)OC(=O)[C@@H](C)CC 308460899 573900855 /nfs/dbraw/zinc/90/08/55/573900855.db2.gz HLQOIVSNRWJMHG-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN Cc1ccc([C@]2(C#N)C[C@H]2C)o1 258992033 573900872 /nfs/dbraw/zinc/90/08/72/573900872.db2.gz LIIUPGAFHQQYME-XCBNKYQSSA-N 0 0 161.204 2.389 10 30 AEEERN Cc1ccc(C(F)(F)C#N)o1 258992163 573900882 /nfs/dbraw/zinc/90/08/82/573900882.db2.gz LJMXMSKXFHAELP-UHFFFAOYSA-N 0 0 157.119 2.203 10 30 AEEERN CC1(C)Cc2cccc([C@H]3CO3)c2O1 80510736 573900940 /nfs/dbraw/zinc/90/09/40/573900940.db2.gz ZHFNTJUUSQTVRR-SNVBAGLBSA-N 0 0 190.242 2.471 10 30 AEEERN CCC(=O)C(F)=C(C)C 238190999 573900954 /nfs/dbraw/zinc/90/09/54/573900954.db2.gz MJWPGGZZASAAMC-UHFFFAOYSA-N 0 0 130.162 2.229 10 30 AEEERN CC1([C@]2(C)CC(=O)C=CO2)CC1 87367707 573900971 /nfs/dbraw/zinc/90/09/71/573900971.db2.gz ZBFWUTGOJWXCFK-JTQLQIEISA-N 0 0 166.220 2.048 10 30 AEEERN N#Cc1ccc(NO)cc1Cl 306789106 573902589 /nfs/dbraw/zinc/90/25/89/573902589.db2.gz PHPKESCQLLCFDR-UHFFFAOYSA-N 0 0 168.583 2.013 10 30 AEEERN SCCc1nccc(C2CCC2)n1 258997850 573902597 /nfs/dbraw/zinc/90/25/97/573902597.db2.gz CUYPGWCHYRLHKH-UHFFFAOYSA-N 0 0 194.303 2.216 10 30 AEEERN CC(C)c1ccnc(C2(C#N)CC2)n1 258997949 573901851 /nfs/dbraw/zinc/90/18/51/573901851.db2.gz CWWJUKHYOLUSRK-UHFFFAOYSA-N 0 0 187.246 2.155 10 30 AEEERN N#C[C@]12CCCCC[C@H]1C2 259583733 573901876 /nfs/dbraw/zinc/90/18/76/573901876.db2.gz KNPKQLVKUSSQOG-DTWKUNHWSA-N 0 0 135.210 2.480 10 30 AEEERN N#C[C@]12CCCCC[C@@H]1C2 259583743 573901904 /nfs/dbraw/zinc/90/19/04/573901904.db2.gz KNPKQLVKUSSQOG-RKDXNWHRSA-N 0 0 135.210 2.480 10 30 AEEERN C#CC(CC)(CC)C(=O)CC 238190795 573901931 /nfs/dbraw/zinc/90/19/31/573901931.db2.gz HOHGDMVJFHODHK-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN O=CC/C=C/[C@H]1O[C@@H]1C1CCCCC1 393569685 573901941 /nfs/dbraw/zinc/90/19/41/573901941.db2.gz UONGYAVQYRJYLW-CNNIXMGKSA-N 0 0 194.274 2.479 10 30 AEEERN CCCCNc1ccc(N)c(C#N)c1 123035401 573901953 /nfs/dbraw/zinc/90/19/53/573901953.db2.gz SDCGBOVGHPGSRY-UHFFFAOYSA-N 0 0 189.262 2.352 10 30 AEEERN CCC1(Nc2cnccc2C#N)CC1 306775134 573901979 /nfs/dbraw/zinc/90/19/79/573901979.db2.gz WLWOMGNOXSPSSZ-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN CCCC/C=C/C#CCCO 238190139 573902121 /nfs/dbraw/zinc/90/21/21/573902121.db2.gz BFXFRTZALUCTTF-AATRIKPKSA-N 0 0 152.237 2.119 10 30 AEEERN CCc1ccc([C@H](CC#N)NC)cc1 259225181 573902328 /nfs/dbraw/zinc/90/23/28/573902328.db2.gz GGIXCRIPBRPNKN-LBPRGKRZSA-N 0 0 188.274 2.423 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1nc(C)c(C)[nH]1 715055777 573904189 /nfs/dbraw/zinc/90/41/89/573904189.db2.gz YTBBERPFYGNCQA-XCBNKYQSSA-N 0 0 194.278 2.272 10 30 AEEERN C=C[C@H](O)C1=CCC(C)(C)C1 238191131 573904191 /nfs/dbraw/zinc/90/41/91/573904191.db2.gz UHHHWTKTXGNYSX-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN C=C1C=CCC(C)(C)[C@@H]1CO 238191249 573904293 /nfs/dbraw/zinc/90/42/93/573904293.db2.gz ZYSTVWGAMKSNCE-SECBINFHSA-N 0 0 152.237 2.137 10 30 AEEERN C#CCNc1cc(C#N)ccc1Cl 87376042 573904454 /nfs/dbraw/zinc/90/44/54/573904454.db2.gz SUYWUAYYKOBCFV-UHFFFAOYSA-N 0 0 190.633 2.257 10 30 AEEERN CCC/C=C(\F)C(C)=O 222785300 573904544 /nfs/dbraw/zinc/90/45/44/573904544.db2.gz KBPDXIHCBKEFJA-ALCCZGGFSA-N 0 0 130.162 2.229 10 30 AEEERN CN[C@@H](S)c1ccc(C)c(C)c1 259584396 573904560 /nfs/dbraw/zinc/90/45/60/573904560.db2.gz XKRSNXXGWQNIPE-JTQLQIEISA-N 0 0 181.304 2.451 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1nc(C)c(C)[nH]1 715055775 573904568 /nfs/dbraw/zinc/90/45/68/573904568.db2.gz YTBBERPFYGNCQA-GMSGAONNSA-N 0 0 194.278 2.272 10 30 AEEERN CCOc1ccccc1[C@@](C)(F)C=O 257904151 573904633 /nfs/dbraw/zinc/90/46/33/573904633.db2.gz ZEXXFBCHQOSZQI-NSHDSACASA-N 0 0 196.221 2.469 10 30 AEEERN CCCCCN(C)[C@@H](C)C#N 44427515 573904756 /nfs/dbraw/zinc/90/47/56/573904756.db2.gz ZTGJHGCEIPNXCZ-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1ccc(F)nc1 715054413 573904817 /nfs/dbraw/zinc/90/48/17/573904817.db2.gz QVLPQWCEPQFTPL-LDYMZIIASA-N 0 0 195.237 2.466 10 30 AEEERN Cc1cc(Cl)c(C(=O)C#N)cc1F 259229547 573904864 /nfs/dbraw/zinc/90/48/64/573904864.db2.gz QOEWLNCSYUWIDS-UHFFFAOYSA-N 0 0 197.596 2.494 10 30 AEEERN C[C@](F)(C=O)c1ccc(Cl)o1 257904109 573904869 /nfs/dbraw/zinc/90/48/69/573904869.db2.gz PLJXFMAEFNLSQB-ZETCQYMHSA-N 0 0 176.574 2.317 10 30 AEEERN C/C=C\C/C=C/CC=O 78707990 573904887 /nfs/dbraw/zinc/90/48/87/573904887.db2.gz JXWOTJZICSULTA-NDEAWQBTSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCN(CC)c1ccc(C(C)=O)o1 131575635 573904915 /nfs/dbraw/zinc/90/49/15/573904915.db2.gz LQVDCCMLAAAQBG-UHFFFAOYSA-N 0 0 193.246 2.495 10 30 AEEERN C=CC[C@@H](C)S[C@@H](C)CO 715055986 573904921 /nfs/dbraw/zinc/90/49/21/573904921.db2.gz AITCJRWQXKDAQG-SFYZADRCSA-N 0 0 160.282 2.065 10 30 AEEERN CCC(CC)[C@H](O)C#CC(F)(F)F 238192209 573906185 /nfs/dbraw/zinc/90/61/85/573906185.db2.gz CSWKAUCNNJYSNX-MRVPVSSYSA-N 0 0 194.196 2.349 10 30 AEEERN C=C[C@@](C)(C=O)C(C)C 238192769 573906300 /nfs/dbraw/zinc/90/63/00/573906300.db2.gz SQMGITOEKSDIJZ-QMMMGPOBSA-N 0 0 126.199 2.034 10 30 AEEERN C=CC[C@@H]([NH2+]CC)c1ncccc1F 131571716 573906339 /nfs/dbraw/zinc/90/63/39/573906339.db2.gz WRJYVBGCCNYGGA-SNVBAGLBSA-N 0 0 194.253 2.447 10 30 AEEERN CC(C)(C=O)COc1ccccc1 78708657 573906417 /nfs/dbraw/zinc/90/64/17/573906417.db2.gz UWFLLCCUAHIWKU-UHFFFAOYSA-N 0 0 178.231 2.291 10 30 AEEERN O=C[C@@H](F)c1ccc(Cl)o1 258451640 573906451 /nfs/dbraw/zinc/90/64/51/573906451.db2.gz FZKINLFPUVUVMU-SCSAIBSYSA-N 0 0 162.547 2.143 10 30 AEEERN CCC(=O)C=C=C(C)C 238193615 573906571 /nfs/dbraw/zinc/90/65/71/573906571.db2.gz WYLGNBYZEHKKNE-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1nc(C)c(C)[nH]1 715055778 573906584 /nfs/dbraw/zinc/90/65/84/573906584.db2.gz YTBBERPFYGNCQA-XVKPBYJWSA-N 0 0 194.278 2.272 10 30 AEEERN CCC/C=C(/F)C(C)=O 222785232 573906594 /nfs/dbraw/zinc/90/65/94/573906594.db2.gz KBPDXIHCBKEFJA-FNORWQNLSA-N 0 0 130.162 2.229 10 30 AEEERN O=C[C@H](F)c1ccc(Cl)o1 258451637 573906628 /nfs/dbraw/zinc/90/66/28/573906628.db2.gz FZKINLFPUVUVMU-BYPYZUCNSA-N 0 0 162.547 2.143 10 30 AEEERN C=CC[C@H](C)S[C@@H](C)CO 715055989 573906732 /nfs/dbraw/zinc/90/67/32/573906732.db2.gz AITCJRWQXKDAQG-YUMQZZPRSA-N 0 0 160.282 2.065 10 30 AEEERN N#Cc1cc2cc(F)c(N)cc2s1 306799694 573906868 /nfs/dbraw/zinc/90/68/68/573906868.db2.gz GONFQXMMQVMMST-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN Cc1c(CC=O)c2ccccc2n1C 76632397 573908726 /nfs/dbraw/zinc/90/87/26/573908726.db2.gz CKIMNMPFDQFRES-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN C#C[C@@H](O)c1scc(C)c1Cl 235796266 573908826 /nfs/dbraw/zinc/90/88/26/573908826.db2.gz IMGDIKAVKYJMKF-ZCFIWIBFSA-N 0 0 186.663 2.377 10 30 AEEERN Cc1ccc(-n2ccc(CC#N)n2)cc1 259000924 573908847 /nfs/dbraw/zinc/90/88/47/573908847.db2.gz GUIJUAJSYQYEFS-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C=CC[C@@H]1C=CC(=O)C[C@@H]1C 80809991 573908864 /nfs/dbraw/zinc/90/88/64/573908864.db2.gz OLWOTJPIKHMVMD-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN CCCN(CC#N)C(=O)C(CC)CC 44373205 573908888 /nfs/dbraw/zinc/90/88/88/573908888.db2.gz JYNDENYYPQSHDY-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN Cc1cc(O)c(CCC=O)cc1Cl 258180036 573909037 /nfs/dbraw/zinc/90/90/37/573909037.db2.gz QVPBEXFSVZACDA-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN C=CC[C@@](C)(C=O)C(C)C 238193928 573909039 /nfs/dbraw/zinc/90/90/39/573909039.db2.gz DSZIRCYBRXIAQT-VIFPVBQESA-N 0 0 140.226 2.424 10 30 AEEERN CCN(C[C@@H](C)C#N)c1ccccn1 44413319 573909191 /nfs/dbraw/zinc/90/91/91/573909191.db2.gz DTMXMVQWYODIKQ-JTQLQIEISA-N 0 0 189.262 2.068 10 30 AEEERN C=CC[C@H](C)Oc1cccc(O)c1N 715057726 573910024 /nfs/dbraw/zinc/91/00/24/573910024.db2.gz IUJDOGLDLKWGIZ-QMMMGPOBSA-N 0 0 193.246 2.318 10 30 AEEERN CC(C)(C)Cc1nc(CC=O)cs1 257896644 573910036 /nfs/dbraw/zinc/91/00/36/573910036.db2.gz BNHGRYHHYGEVTM-UHFFFAOYSA-N 0 0 197.303 2.473 10 30 AEEERN COc1c(C)cc(CC=O)c(C)c1C 259232099 573910087 /nfs/dbraw/zinc/91/00/87/573910087.db2.gz VDCOQOSFVFUFLX-UHFFFAOYSA-N 0 0 192.258 2.362 10 30 AEEERN CCN(CCC#N)c1ccccc1C#N 44413377 573910184 /nfs/dbraw/zinc/91/01/84/573910184.db2.gz DXFXLWYJQBKZCX-UHFFFAOYSA-N 0 0 199.257 2.298 10 30 AEEERN N#Cc1cc2c(cc1N)CC(=O)S2 306799702 573910274 /nfs/dbraw/zinc/91/02/74/573910274.db2.gz GPHLZWIPTDEUDZ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN Cc1cc(Cl)ccc1/C=N/O 235785252 573910425 /nfs/dbraw/zinc/91/04/25/573910425.db2.gz RGZZMKYVEQPITI-BJMVGYQFSA-N 0 0 169.611 2.457 10 30 AEEERN C=CC[NH2+]C(CCC)(CCC)C(=O)[O-] 41732104 573910482 /nfs/dbraw/zinc/91/04/82/573910482.db2.gz WVHXUONLMFDMLN-UHFFFAOYSA-N 0 0 199.294 2.186 10 30 AEEERN C=CC[C@@H](C)Oc1cccc(O)c1N 715057724 573910536 /nfs/dbraw/zinc/91/05/36/573910536.db2.gz IUJDOGLDLKWGIZ-MRVPVSSYSA-N 0 0 193.246 2.318 10 30 AEEERN C=CC[NH2+][C@@](C)(CCC(C)C)C(=O)[O-] 41731426 573910549 /nfs/dbraw/zinc/91/05/49/573910549.db2.gz UMLXMYYGUFITSG-NSHDSACASA-N 0 0 199.294 2.042 10 30 AEEERN CC1=CC(=O)[C@@H](C(C)C)[C@H]1C 238183596 573910568 /nfs/dbraw/zinc/91/05/68/573910568.db2.gz YIJKIOIFSFMCOT-WPRPVWTQSA-N 0 0 152.237 2.424 10 30 AEEERN CC1=C[C@H]2CC=CC(=O)[C@H]2CC1 238183234 573910752 /nfs/dbraw/zinc/91/07/52/573910752.db2.gz JEBAZWYFIGCZQW-ZJUUUORDSA-N 0 0 162.232 2.488 10 30 AEEERN C=C(CC)[C@@H](O)C1=CCCCO1 238183633 573910906 /nfs/dbraw/zinc/91/09/06/573910906.db2.gz SBIQAYHEEXLNDS-SNVBAGLBSA-N 0 0 168.236 2.008 10 30 AEEERN CCN(C[C@H](C)C#N)c1ccccn1 44413320 573911109 /nfs/dbraw/zinc/91/11/09/573911109.db2.gz DTMXMVQWYODIKQ-SNVBAGLBSA-N 0 0 189.262 2.068 10 30 AEEERN O=CC(F)(F)CC1CCCC1 258451545 573911485 /nfs/dbraw/zinc/91/14/85/573911485.db2.gz FYCAXRIEPSLRTF-UHFFFAOYSA-N 0 0 162.179 2.401 10 30 AEEERN COc1cccc([C@]2(C)C[C@@H]2C=O)c1 257898227 573913558 /nfs/dbraw/zinc/91/35/58/573913558.db2.gz YJKJMSQGIXPRSV-PWSUYJOCSA-N 0 0 190.242 2.172 10 30 AEEERN N#CCc1cnoc1-c1ccco1 259581113 573913569 /nfs/dbraw/zinc/91/35/69/573913569.db2.gz FECKVCGFKOGPMO-UHFFFAOYSA-N 0 0 174.159 2.001 10 30 AEEERN CC1([C@H](O)C2(C#N)CCC2)CCC1 686131932 573912865 /nfs/dbraw/zinc/91/28/65/573912865.db2.gz WXNPWBABZWMAIM-VIFPVBQESA-N 0 0 179.263 2.231 10 30 AEEERN C=CC[C@H]1C=CC(=O)C[C@H]1C 80809986 573912967 /nfs/dbraw/zinc/91/29/67/573912967.db2.gz OLWOTJPIKHMVMD-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN C=CC[C@@H]1C=CC(=O)C[C@H]1C 80809988 573913058 /nfs/dbraw/zinc/91/30/58/573913058.db2.gz OLWOTJPIKHMVMD-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H](O)CC/C=C\CC 44709946 573913182 /nfs/dbraw/zinc/91/31/82/573913182.db2.gz LVQCRSHIONXSCD-SSJHQANKSA-N 0 0 140.226 2.280 10 30 AEEERN C#C[C@H](O)c1scc(C)c1Cl 235794810 573913250 /nfs/dbraw/zinc/91/32/50/573913250.db2.gz IMGDIKAVKYJMKF-LURJTMIESA-N 0 0 186.663 2.377 10 30 AEEERN C[C@@H](COCC=O)c1ccccc1 238384572 573913252 /nfs/dbraw/zinc/91/32/52/573913252.db2.gz ZIJAOVLDNUWVEC-JTQLQIEISA-N 0 0 178.231 2.006 10 30 AEEERN CCSCC[C@@]1(C#N)CCOC1 131653395 573913360 /nfs/dbraw/zinc/91/33/60/573913360.db2.gz OULUEJGJTJSAAS-SECBINFHSA-N 0 0 185.292 2.060 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@@](C)(CC)OC 715057521 573913386 /nfs/dbraw/zinc/91/33/86/573913386.db2.gz HJDZMFBJULPJNI-HBNTYKKESA-N 0 0 186.295 2.375 10 30 AEEERN CCSCCC1(C#N)CCOCC1 131651649 573913429 /nfs/dbraw/zinc/91/34/29/573913429.db2.gz JJVLETAGYQGSIA-UHFFFAOYSA-N 0 0 199.319 2.450 10 30 AEEERN N#CCCCCSCc1c[nH]cn1 238543993 573917307 /nfs/dbraw/zinc/91/73/07/573917307.db2.gz NIPLUNUNOPTVCD-UHFFFAOYSA-N 0 0 195.291 2.337 10 30 AEEERN C=CC[C@@H](C)[C@H](O)C1(C)CC1 715059262 573916454 /nfs/dbraw/zinc/91/64/54/573916454.db2.gz ZXDDEWUZIXEYPB-BDAKNGLRSA-N 0 0 154.253 2.360 10 30 AEEERN CC1(C)CCc2c(c[nH]c2C#N)C1 259581352 573916528 /nfs/dbraw/zinc/91/65/28/573916528.db2.gz FGROZCOYZDKYON-UHFFFAOYSA-N 0 0 174.247 2.401 10 30 AEEERN CC(C)n1nc2c(c1C#N)CSC2 257899457 573916582 /nfs/dbraw/zinc/91/65/82/573916582.db2.gz YOLRWRVSHYMPDO-UHFFFAOYSA-N 0 0 193.275 2.082 10 30 AEEERN C=C(C(C)C)[C@@H](O)C1(O)CCCCC1 238184242 573916610 /nfs/dbraw/zinc/91/66/10/573916610.db2.gz GINHBWKPSNWJPA-LLVKDONJSA-N 0 0 198.306 2.255 10 30 AEEERN CO[C@@H](C=O)Cc1ccc(Cl)cc1 257899846 573916640 /nfs/dbraw/zinc/91/66/40/573916640.db2.gz VQVRSHTULUMBSX-SNVBAGLBSA-N 0 0 198.649 2.096 10 30 AEEERN C=C1CCC[C@]1(Cl)C(C)=O 238184625 573916810 /nfs/dbraw/zinc/91/68/10/573916810.db2.gz HSRUPYYFPZFQJK-MRVPVSSYSA-N 0 0 158.628 2.293 10 30 AEEERN Cn1c(CS)cc2c(O)cccc21 257899528 573916864 /nfs/dbraw/zinc/91/68/64/573916864.db2.gz ATGHCHYFEXMBLN-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN CC(C)C[C@@H](CF)CC=O 258457245 573916993 /nfs/dbraw/zinc/91/69/93/573916993.db2.gz GRSKAXBWKNIFOG-QMMMGPOBSA-N 0 0 146.205 2.207 10 30 AEEERN Cc1ccc2nccc([C@@H](N)C#N)c2c1 259581354 573917011 /nfs/dbraw/zinc/91/70/11/573917011.db2.gz KGZBTIHLSJFSNL-NSHDSACASA-N 0 0 197.241 2.067 10 30 AEEERN C[C@H]1C[C@@H](OC[C@@H]2CO2)CC[C@H]1C 84836981 573917041 /nfs/dbraw/zinc/91/70/41/573917041.db2.gz NPRHKOXHAKIGOY-VPOLOUISSA-N 0 0 184.279 2.227 10 30 AEEERN C=C(C(C)C)[C@H](O)C1(O)CCCCC1 238184688 573917046 /nfs/dbraw/zinc/91/70/46/573917046.db2.gz GINHBWKPSNWJPA-NSHDSACASA-N 0 0 198.306 2.255 10 30 AEEERN C=C(C(C)C)[C@@H](O)C#C[Si](C)(C)C 238184191 573917056 /nfs/dbraw/zinc/91/70/56/573917056.db2.gz CMMIXZBBLSHRRB-NSHDSACASA-N 0 0 196.366 2.440 10 30 AEEERN CC(C)c1ncccc1CC#N 238185277 573917081 /nfs/dbraw/zinc/91/70/81/573917081.db2.gz IKOWWYVNVASUCL-UHFFFAOYSA-N 0 0 160.220 2.271 10 30 AEEERN C=C(C(C)C)[C@H](O)C#C[Si](C)(C)C 238184648 573917145 /nfs/dbraw/zinc/91/71/45/573917145.db2.gz CMMIXZBBLSHRRB-LLVKDONJSA-N 0 0 196.366 2.440 10 30 AEEERN C=C(C(C)C)[C@H](O)C1=CCCCO1 238184703 573917225 /nfs/dbraw/zinc/91/72/25/573917225.db2.gz ZDXNOQUTEFSWQP-NSHDSACASA-N 0 0 182.263 2.254 10 30 AEEERN C=C[C@@H](O)C/C=C/c1ccco1 238720186 573917230 /nfs/dbraw/zinc/91/72/30/573917230.db2.gz KDHCAPSQFNJNOG-BSPAPZMXSA-N 0 0 164.204 2.230 10 30 AEEERN CC(C)(C)[Si](C)(C)[C@@H](O)CS 197136809 573919074 /nfs/dbraw/zinc/91/90/74/573919074.db2.gz FVPQRMGIAAHTDN-SSDOTTSWSA-N 0 0 192.400 2.325 10 30 AEEERN Cn1c(CS)cc2cc(O)ccc21 257899656 573918265 /nfs/dbraw/zinc/91/82/65/573918265.db2.gz AVQLRPLKGKHQFB-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN CC(C)C(=O)C=CNC(C)(C)C 197134985 573918430 /nfs/dbraw/zinc/91/84/30/573918430.db2.gz QGKQPJUFLWMMNE-SREVYHEPSA-N 0 0 169.268 2.113 10 30 AEEERN CC(C)C(=O)C#CC(C)(C)Cl 238185886 573918574 /nfs/dbraw/zinc/91/85/74/573918574.db2.gz XBJBCNZZJUMZET-UHFFFAOYSA-N 0 0 172.655 2.232 10 30 AEEERN CC(C)[C@@H]1C[C@]1(C)C#N 259004979 573918599 /nfs/dbraw/zinc/91/85/99/573918599.db2.gz NHWFCSXDRRNBHT-JGVFFNPUSA-N 0 0 123.199 2.192 10 30 AEEERN N#Cc1nccn1C[C@@H]1CC=CCC1 402155398 573918627 /nfs/dbraw/zinc/91/86/27/573918627.db2.gz POCAVLNPJIUYCA-SNVBAGLBSA-N 0 0 187.246 2.111 10 30 AEEERN CC(C)(C)[Si](C)(C)[C@H](O)CS 197136799 573918648 /nfs/dbraw/zinc/91/86/48/573918648.db2.gz FVPQRMGIAAHTDN-ZETCQYMHSA-N 0 0 192.400 2.325 10 30 AEEERN CC1=CC(=O)[C@@H](C(C)C)[C@@H]1C 238185627 573918703 /nfs/dbraw/zinc/91/87/03/573918703.db2.gz YIJKIOIFSFMCOT-SCZZXKLOSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1cccc(C(=O)CCS)c1 259002976 573918795 /nfs/dbraw/zinc/91/87/95/573918795.db2.gz BNXUMHVXGXNZDY-UHFFFAOYSA-N 0 0 180.272 2.498 10 30 AEEERN C[C@@H]1CCC[C@]2(CO2)[C@@H]1C 84837226 573918904 /nfs/dbraw/zinc/91/89/04/573918904.db2.gz RLUAATSHTNQEHA-HLTSFMKQSA-N 0 0 140.226 2.212 10 30 AEEERN C=C1C[C@@]2(C(C)=O)C=CC=C[C@@H]12 238185941 573918943 /nfs/dbraw/zinc/91/89/43/573918943.db2.gz DRAUZKAIQDORPQ-WDEREUQCSA-N 0 0 160.216 2.264 10 30 AEEERN C=C=C(CC)C(C)(C)C=O 238185678 573920291 /nfs/dbraw/zinc/92/02/91/573920291.db2.gz VVBKRLYNYXGTIN-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN Cc1ccc(F)cc1[C@H](O)CC#N 235805806 573920297 /nfs/dbraw/zinc/92/02/97/573920297.db2.gz DZBCVDMHBAUQOS-SNVBAGLBSA-N 0 0 179.194 2.081 10 30 AEEERN CCc1cnc(C#N)cc1CC 306810283 573920474 /nfs/dbraw/zinc/92/04/74/573920474.db2.gz UEJFRZSUYGIHNK-UHFFFAOYSA-N 0 0 160.220 2.078 10 30 AEEERN N#C[C@@H](N)c1ccc2c(c1)CCCC2 259008362 573920571 /nfs/dbraw/zinc/92/05/71/573920571.db2.gz HLZAEBHDAHQMBB-GFCCVEGCSA-N 0 0 186.258 2.089 10 30 AEEERN N#CCn1cc(C#N)c2ccc(F)cc21 84870692 573920685 /nfs/dbraw/zinc/92/06/85/573920685.db2.gz FZUAOMJRJYITIV-UHFFFAOYSA-N 0 0 199.188 2.176 10 30 AEEERN C=CC[C@H](C)SC[C@H](C)CO 715059198 573920704 /nfs/dbraw/zinc/92/07/04/573920704.db2.gz YYGTYGCTSREGGR-BDAKNGLRSA-N 0 0 174.309 2.313 10 30 AEEERN CC(C)[C@H](C#N)CN(C)c1cc[nH]c1 259009209 573920747 /nfs/dbraw/zinc/92/07/47/573920747.db2.gz OOEKJCNGIIOPMT-SNVBAGLBSA-N 0 0 191.278 2.247 10 30 AEEERN CCC(CC)n1ncc(C#N)c1C 259582606 573920762 /nfs/dbraw/zinc/92/07/62/573920762.db2.gz XQPOSWQBPNZUJU-UHFFFAOYSA-N 0 0 177.251 2.424 10 30 AEEERN CC1(C)O[C@@]1(CC=O)c1ccccc1 238185860 573920840 /nfs/dbraw/zinc/92/08/40/573920840.db2.gz VDBAYPANLZMCJQ-LBPRGKRZSA-N 0 0 190.242 2.280 10 30 AEEERN CC(C)[C@@H](C#N)CN(C)c1cc[nH]c1 259009208 573920929 /nfs/dbraw/zinc/92/09/29/573920929.db2.gz OOEKJCNGIIOPMT-JTQLQIEISA-N 0 0 191.278 2.247 10 30 AEEERN CN[C@H](CC#N)c1ccc(F)c(F)c1 259582390 573920946 /nfs/dbraw/zinc/92/09/46/573920946.db2.gz XHMUOOHJKDMDSO-SNVBAGLBSA-N 0 0 196.200 2.139 10 30 AEEERN CC(C)[C@H]1C[C@@]1(C)C#N 259004982 573920996 /nfs/dbraw/zinc/92/09/96/573920996.db2.gz NHWFCSXDRRNBHT-SFYZADRCSA-N 0 0 123.199 2.192 10 30 AEEERN C=CC[C@H](C)SC[C@@H](C)CO 715059200 573921030 /nfs/dbraw/zinc/92/10/30/573921030.db2.gz YYGTYGCTSREGGR-IUCAKERBSA-N 0 0 174.309 2.313 10 30 AEEERN CC1(C)OCCC[C@H]1CCC#N 259582228 573922093 /nfs/dbraw/zinc/92/20/93/573922093.db2.gz KIYIWJQDDFAWHA-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN COc1c(C)c(Cl)cc(C#N)c1O 258181999 573922142 /nfs/dbraw/zinc/92/21/42/573922142.db2.gz WSEDYRCHNPRWMH-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN C=CCC(=O)[C@@H]1Cc2ccccc21 84888094 573922257 /nfs/dbraw/zinc/92/22/57/573922257.db2.gz FAFRSXNEDZIRSW-LLVKDONJSA-N 0 0 172.227 2.472 10 30 AEEERN CCCc1cc(C)nc(CCC#N)n1 259010109 573922536 /nfs/dbraw/zinc/92/25/36/573922536.db2.gz FBGLDQYRQPFAFJ-UHFFFAOYSA-N 0 0 189.262 2.194 10 30 AEEERN Cc1cc2cc(C#N)ccc2[nH]c1=O 259239383 573922584 /nfs/dbraw/zinc/92/25/84/573922584.db2.gz PSUKETDGLYXHAC-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN O=C[C@@H]1COc2ccc(Cl)cc21 257900514 573922724 /nfs/dbraw/zinc/92/27/24/573922724.db2.gz ANSTWBGZNPLCQG-ZCFIWIBFSA-N 0 0 182.606 2.015 10 30 AEEERN Cc1ccc2c(c1)CC[C@H](C#N)N2 259583274 573922863 /nfs/dbraw/zinc/92/28/63/573922863.db2.gz FMYVVXNYSIRBQQ-SNVBAGLBSA-N 0 0 172.231 2.245 10 30 AEEERN CCC(=O)C=C=CCC(C)C 238188140 573922884 /nfs/dbraw/zinc/92/28/84/573922884.db2.gz OLNCXTFYYCZLOC-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN CN[C@@H](C#N)CC1CCCCC1 87473573 573926436 /nfs/dbraw/zinc/92/64/36/573926436.db2.gz OOISKVHYHLJZDO-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN N#Cc1c(O)ccc2ccc(O)cc12 220525274 573923529 /nfs/dbraw/zinc/92/35/29/573923529.db2.gz QSTAAOJTSFSNPC-UHFFFAOYSA-N 0 0 185.182 2.123 10 30 AEEERN CC1(C)C2=C(CCCC2)[C@H](O)[C@@H]1C#N 238198469 573923657 /nfs/dbraw/zinc/92/36/57/573923657.db2.gz LMHMSTVLZCBRRQ-QWRGUYRKSA-N 0 0 191.274 2.397 10 30 AEEERN CC1([C@H]2OCC[C@H]2C#N)CCC1 686132150 573923718 /nfs/dbraw/zinc/92/37/18/573923718.db2.gz YJSAWLIFHKVNIW-IUCAKERBSA-N 0 0 165.236 2.105 10 30 AEEERN Cc1ccc([C@@H](O)CC=O)cc1Cl 235805089 573923871 /nfs/dbraw/zinc/92/38/71/573923871.db2.gz MWQJMYPAZCERTB-JTQLQIEISA-N 0 0 198.649 2.271 10 30 AEEERN C=CC[C@@H](C)SC[C@@H](C)CO 715059199 573923939 /nfs/dbraw/zinc/92/39/39/573923939.db2.gz YYGTYGCTSREGGR-DTWKUNHWSA-N 0 0 174.309 2.313 10 30 AEEERN Nc1ccc2oc(CS)cc2c1 257904388 573923941 /nfs/dbraw/zinc/92/39/41/573923941.db2.gz BLLORCYWMZIIAW-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN CC1(C)C([C@@H]2CO2)C1(C)C 238195888 573924005 /nfs/dbraw/zinc/92/40/05/573924005.db2.gz KZFTULIYOFPOEO-LURJTMIESA-N 0 0 140.226 2.067 10 30 AEEERN C=CCC[C@H]1CC[C@H](O)[C@H]1C 84876585 573924039 /nfs/dbraw/zinc/92/40/39/573924039.db2.gz NQGYIJFFMPQBFV-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1C[C@@H]2CCC[C@@]12C(C)=O 238187196 573924051 /nfs/dbraw/zinc/92/40/51/573924051.db2.gz DLIXSJYBNHGMEV-UWVGGRQHSA-N 0 0 150.221 2.322 10 30 AEEERN CCC1([C@@H]2OCC[C@@H]2C#N)CCC1 686132010 573924099 /nfs/dbraw/zinc/92/40/99/573924099.db2.gz YBGPOOFLDADPPJ-NXEZZACHSA-N 0 0 179.263 2.495 10 30 AEEERN Cc1cc(C)c([C@H](O)CC=O)cc1C 235803665 573924238 /nfs/dbraw/zinc/92/42/38/573924238.db2.gz QAUAKDTZXHWWPX-GFCCVEGCSA-N 0 0 192.258 2.234 10 30 AEEERN CC[C@H](C)ON=C1CCOC1(C)C 393572453 573924242 /nfs/dbraw/zinc/92/42/42/573924242.db2.gz TVVPVCDTRNPIPY-QMMMGPOBSA-N 0 0 185.267 2.356 10 30 AEEERN CCCCCNC(=O)[C@@H](C#N)C(C)C 44809626 573930638 /nfs/dbraw/zinc/93/06/38/573930638.db2.gz PWMLCPDHAGROKS-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN N#Cc1sc2cccc(F)c2c1N 306813149 573930642 /nfs/dbraw/zinc/93/06/42/573930642.db2.gz BAQLSBWAOVRTKJ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC/C=C/C(=O)c1ncnn1C(C)C 308470968 573930652 /nfs/dbraw/zinc/93/06/52/573930652.db2.gz JFXNSBZVPROVAS-AATRIKPKSA-N 0 0 193.250 2.008 10 30 AEEERN COc1c(Cl)ccc(F)c1C#N 258009000 573929932 /nfs/dbraw/zinc/92/99/32/573929932.db2.gz HHJCMZGGDNDCMA-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CC[C@H](C)n1c(C#N)cnc1C 259240337 573929984 /nfs/dbraw/zinc/92/99/84/573929984.db2.gz CVUUPTIHTACABS-ZETCQYMHSA-N 0 0 163.224 2.034 10 30 AEEERN CCCCCN(C)C(=O)C(C)(C)C#N 44752539 573930009 /nfs/dbraw/zinc/93/00/09/573930009.db2.gz PBZXLJSHMDINEI-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC1(C)CCCC(=O)/C=C/O1 238199445 573930056 /nfs/dbraw/zinc/93/00/56/573930056.db2.gz PWBIPYOLOYGVSZ-FNORWQNLSA-N 0 0 154.209 2.048 10 30 AEEERN CCC1=C(CC)C(=O)C2(CC2)C1=O 238199796 573930080 /nfs/dbraw/zinc/93/00/80/573930080.db2.gz YZJCINWYIWUUFF-UHFFFAOYSA-N 0 0 178.231 2.035 10 30 AEEERN N#CCc1nc(-c2cccs2)c[nH]1 259013244 573930161 /nfs/dbraw/zinc/93/01/61/573930161.db2.gz DKBROOQWJGBRFO-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN C[C@@H]1CCC[C@]1(Cl)C#N 84902415 573930187 /nfs/dbraw/zinc/93/01/87/573930187.db2.gz AOMHVQVWBUWXDX-RQJHMYQMSA-N 0 0 143.617 2.308 10 30 AEEERN CC(C)Cc1cnc([C@H](C)C#N)cn1 74275580 573930189 /nfs/dbraw/zinc/93/01/89/573930189.db2.gz DPXCVGLSICSLJD-SECBINFHSA-N 0 0 189.262 2.302 10 30 AEEERN C=CCN(C)c1ccc(C=O)cc1C 131738670 573930190 /nfs/dbraw/zinc/93/01/90/573930190.db2.gz YWIKNCLREZQYPC-UHFFFAOYSA-N 0 0 189.258 2.430 10 30 AEEERN C[C@@H]1CCC[C@@]1(Cl)C#N 84902420 573930261 /nfs/dbraw/zinc/93/02/61/573930261.db2.gz AOMHVQVWBUWXDX-RNFRBKRXSA-N 0 0 143.617 2.308 10 30 AEEERN CC1=C(C)C[C@H]2C(O)=CC(=O)[C@H]2C1 238198891 573930335 /nfs/dbraw/zinc/93/03/35/573930335.db2.gz TTXSMFUHJLXVOC-BDAKNGLRSA-N 0 0 178.231 2.374 10 30 AEEERN N#Cc1cc2ccc(Cl)nc2[nH]1 217555287 573930345 /nfs/dbraw/zinc/93/03/45/573930345.db2.gz PRUAWAXDCLEBIA-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN CCC1=C(N2CCCC2)CCC1=O 238200007 573930356 /nfs/dbraw/zinc/93/03/56/573930356.db2.gz LNSXABTYVJLFSU-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN C=CCN(CCC)c1ccc(C=O)o1 131745934 573930440 /nfs/dbraw/zinc/93/04/40/573930440.db2.gz NUKBCLOZJFSDEY-UHFFFAOYSA-N 0 0 193.246 2.495 10 30 AEEERN N#Cc1cc(N)c2sccc2c1F 306817946 573930482 /nfs/dbraw/zinc/93/04/82/573930482.db2.gz CPGGAWNLIDSKMC-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C/C=C\COCC1(CS)CC1 211647573 573930512 /nfs/dbraw/zinc/93/05/12/573930512.db2.gz RQIIRGDGHZSIEJ-IHWYPQMZSA-N 0 0 172.293 2.289 10 30 AEEERN COc1cc(C)c(C#N)c(C)c1OC 258181881 573930558 /nfs/dbraw/zinc/93/05/58/573930558.db2.gz WQLJXBGRTZVXPD-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN CCCC(C#N)(CCC)C(=O)NCC 44808851 573930561 /nfs/dbraw/zinc/93/05/61/573930561.db2.gz HGHSZUQIIBEOTB-UHFFFAOYSA-N 0 0 196.294 2.233 10 30 AEEERN C[C@H]1C[C@H](C#N)c2ccccc2O1 259585310 573931953 /nfs/dbraw/zinc/93/19/53/573931953.db2.gz FNABDAPOKQQWDK-DTWKUNHWSA-N 0 0 173.215 2.465 10 30 AEEERN CC(C)C[C@H](C)N(C)C(=O)[C@@H](C)C#N 44826686 573932040 /nfs/dbraw/zinc/93/20/40/573932040.db2.gz JSEOVBXSKYVPBD-UWVGGRQHSA-N 0 0 196.294 2.039 10 30 AEEERN CCCCCNC(=O)[C@@H](C#N)CCC 44809625 573932632 /nfs/dbraw/zinc/93/26/32/573932632.db2.gz RYIYDQPXVRAGFS-SNVBAGLBSA-N 0 0 196.294 2.233 10 30 AEEERN CCc1ccc(N(C)C)c(CC#N)c1 259584880 573932083 /nfs/dbraw/zinc/93/20/83/573932083.db2.gz XVPLFSSEDBCSFU-UHFFFAOYSA-N 0 0 188.274 2.381 10 30 AEEERN O=CCc1ccc(Cl)nc1Cl 81169711 573932106 /nfs/dbraw/zinc/93/21/06/573932106.db2.gz LXPCAENGOHQZHJ-UHFFFAOYSA-N 0 0 190.029 2.130 10 30 AEEERN N#C[C@@H]1CNc2cc(Cl)ccc2O1 87504055 573932157 /nfs/dbraw/zinc/93/21/57/573932157.db2.gz AYMPMWHFNZJSCP-SSDOTTSWSA-N 0 0 194.621 2.036 10 30 AEEERN C#CCCOc1cc(Cl)ncc1C 235813736 573932188 /nfs/dbraw/zinc/93/21/88/573932188.db2.gz ASLVPKXXJRDOQM-UHFFFAOYSA-N 0 0 195.649 2.446 10 30 AEEERN N#Cc1ccc2c(c1)SC(=O)C2N 306812932 573932340 /nfs/dbraw/zinc/93/23/40/573932340.db2.gz AAHWKIPDDOVJKM-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CCC(CC)NC(=O)[C@@H](C#N)C(C)C 44808824 573932366 /nfs/dbraw/zinc/93/23/66/573932366.db2.gz AIIQKCLHWRJDBD-JTQLQIEISA-N 0 0 196.294 2.087 10 30 AEEERN N#Cc1csc2c(N)cc(F)cc12 306813624 573932389 /nfs/dbraw/zinc/93/23/89/573932389.db2.gz AOSYYBJZWPRVME-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#C[C@H]1CNc2cc(Cl)ccc2O1 87504053 573932476 /nfs/dbraw/zinc/93/24/76/573932476.db2.gz AYMPMWHFNZJSCP-ZETCQYMHSA-N 0 0 194.621 2.036 10 30 AEEERN C=C[C@@H](O)C1=CC(C)(C)CC1 238196921 573932527 /nfs/dbraw/zinc/93/25/27/573932527.db2.gz WCOOHZZNCBDEGG-SECBINFHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](O)C1=CC(C)(C)CC1 238196891 573932591 /nfs/dbraw/zinc/93/25/91/573932591.db2.gz WCOOHZZNCBDEGG-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN C=C=C(CC)C[C@H](O)C=C 238200925 573933788 /nfs/dbraw/zinc/93/37/88/573933788.db2.gz HQDGMFSEBZYOPP-SECBINFHSA-N 0 0 138.210 2.045 10 30 AEEERN N#CC1CC2(CCSCC2)C1 259584932 573933829 /nfs/dbraw/zinc/93/38/29/573933829.db2.gz KRSKTILZWXIRMC-UHFFFAOYSA-N 0 0 167.277 2.433 10 30 AEEERN C=CC1=CC(=O)C(C)(C)CC1 238196359 573933038 /nfs/dbraw/zinc/93/30/38/573933038.db2.gz XUIKYQCBICHVAJ-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCN(CC)C(=O)OC(C)C 127614783 573933169 /nfs/dbraw/zinc/93/31/69/573933169.db2.gz BOJBSTOHRVPMBY-UHFFFAOYSA-N 0 0 171.240 2.039 10 30 AEEERN SC/C(Cl)=C/Cl 81143208 573933173 /nfs/dbraw/zinc/93/31/73/573933173.db2.gz MNESDHSRLZIGDP-IWQZZHSRSA-N 0 0 143.038 2.235 10 30 AEEERN CC(C)SCCCS 81119782 573933244 /nfs/dbraw/zinc/93/32/44/573933244.db2.gz FBZMXUOZMMTNGO-UHFFFAOYSA-N 0 0 150.312 2.448 10 30 AEEERN Cc1ccc([C@H](O)CCS)cc1 259017722 573933277 /nfs/dbraw/zinc/93/32/77/573933277.db2.gz CSBGFORMLFFPSV-SNVBAGLBSA-N 0 0 182.288 2.348 10 30 AEEERN CC[C@@H](C)N(C)C(=O)[C@@H](C#N)C(C)C 44815087 573933352 /nfs/dbraw/zinc/93/33/52/573933352.db2.gz SXTOIZRXIDSUQV-ZJUUUORDSA-N 0 0 196.294 2.039 10 30 AEEERN O=CCc1cnc(-c2ccco2)s1 257904810 573933366 /nfs/dbraw/zinc/93/33/66/573933366.db2.gz CACXGHSSVWWCHC-UHFFFAOYSA-N 0 0 193.227 2.145 10 30 AEEERN C=CCN(C)c1ccc(C=O)s1 131737262 573933457 /nfs/dbraw/zinc/93/34/57/573933457.db2.gz FBYJYFGWWOEHNI-UHFFFAOYSA-N 0 0 181.260 2.183 10 30 AEEERN N#Cc1cc(O)c2ccsc2c1N 306827173 573933488 /nfs/dbraw/zinc/93/34/88/573933488.db2.gz CYYGUZRFHTVJSM-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN Cc1ccc([C@@H](O)CCS)cc1 259017721 573933611 /nfs/dbraw/zinc/93/36/11/573933611.db2.gz CSBGFORMLFFPSV-JTQLQIEISA-N 0 0 182.288 2.348 10 30 AEEERN CC1=C(C)C[C@@H](C=O)SC1 238196752 573936470 /nfs/dbraw/zinc/93/64/70/573936470.db2.gz AKWRCJIUKJYQEC-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN C=C(C)C#CC(=O)C[C@H]1C=CCC1 224757280 573936475 /nfs/dbraw/zinc/93/64/75/573936475.db2.gz DZFMHPNBFIDBNJ-NSHDSACASA-N 0 0 174.243 2.491 10 30 AEEERN Cc1ccc([C@@H](C#N)c2cnccn2)o1 259021519 573936501 /nfs/dbraw/zinc/93/65/01/573936501.db2.gz DANYYTXDDSGHQN-VIFPVBQESA-N 0 0 199.213 2.034 10 30 AEEERN C=CC[C@](C#N)(C(C)=O)C(C)C 238197021 573936533 /nfs/dbraw/zinc/93/65/33/573936533.db2.gz PYESLPUNYYPOFY-SNVBAGLBSA-N 0 0 165.236 2.317 10 30 AEEERN C/C=C\C#CC#C/C=C/C=C/[C@H](C)O 308466248 573936739 /nfs/dbraw/zinc/93/67/39/573936739.db2.gz MNGKCBHZJMYXRY-XXYVNYHPSA-N 0 0 186.254 2.063 10 30 AEEERN CON=Cc1cnc([C@H]2C[C@@H]2C)s1 308465982 573936746 /nfs/dbraw/zinc/93/67/46/573936746.db2.gz JBXKJQMNRMPEFB-XPUUQOCRSA-N 0 0 196.275 2.247 10 30 AEEERN CC1(C)C=CC(=O)[C@H]2CC=C[C@@H]21 238197347 573936747 /nfs/dbraw/zinc/93/67/47/573936747.db2.gz JCJDZCIFIGNBOO-IUCAKERBSA-N 0 0 162.232 2.344 10 30 AEEERN C[C@]1(c2ccc3c(c2)CCO3)C[C@H]1C#N 259018237 573936860 /nfs/dbraw/zinc/93/68/60/573936860.db2.gz PGTYOPRKJDCWFG-WCQYABFASA-N 0 0 199.253 2.423 10 30 AEEERN C/C=C\C#CC#C/C=C/C=C\[C@H](C)O 308466247 573936887 /nfs/dbraw/zinc/93/68/87/573936887.db2.gz MNGKCBHZJMYXRY-WPZDDLRUSA-N 0 0 186.254 2.063 10 30 AEEERN CON=Cc1cnc([C@@H]2C[C@@H]2C)s1 308465971 573936945 /nfs/dbraw/zinc/93/69/45/573936945.db2.gz JBXKJQMNRMPEFB-POYBYMJQSA-N 0 0 196.275 2.247 10 30 AEEERN CCCc1sc(N)c(C#N)c1OC 150303380 573936992 /nfs/dbraw/zinc/93/69/92/573936992.db2.gz DCERFVIURVUBLO-UHFFFAOYSA-N 0 0 196.275 2.163 10 30 AEEERN CON=Cc1cnc([C@H]2C[C@H]2C)s1 308465977 573937057 /nfs/dbraw/zinc/93/70/57/573937057.db2.gz JBXKJQMNRMPEFB-SVRRBLITSA-N 0 0 196.275 2.247 10 30 AEEERN C[C@@]1(c2ccc3c(c2)CCO3)C[C@H]1C#N 259018230 573937065 /nfs/dbraw/zinc/93/70/65/573937065.db2.gz PGTYOPRKJDCWFG-AAEUAGOBSA-N 0 0 199.253 2.423 10 30 AEEERN CC(C)(C)Sc1cc(C#N)ncn1 306193325 573937077 /nfs/dbraw/zinc/93/70/77/573937077.db2.gz SPKZYKZIMPCLKP-UHFFFAOYSA-N 0 0 193.275 2.239 10 30 AEEERN CON=Cc1cnc([C@@H]2C[C@H]2C)s1 308465963 573937123 /nfs/dbraw/zinc/93/71/23/573937123.db2.gz JBXKJQMNRMPEFB-HTRCEHHLSA-N 0 0 196.275 2.247 10 30 AEEERN Cc1ccc([C@H](C#N)c2cnccn2)o1 259021516 573937163 /nfs/dbraw/zinc/93/71/63/573937163.db2.gz DANYYTXDDSGHQN-SECBINFHSA-N 0 0 199.213 2.034 10 30 AEEERN CC(C)c1nc2c([nH]1)CC[C@H]2C#N 259585350 573937207 /nfs/dbraw/zinc/93/72/07/573937207.db2.gz FOIGSWLVSYKLQH-ZETCQYMHSA-N 0 0 175.235 2.086 10 30 AEEERN CC(C)NOC(=O)Nc1ccccc1 238197869 573937242 /nfs/dbraw/zinc/93/72/42/573937242.db2.gz SXBXYAFKFOWPSM-UHFFFAOYSA-N 0 0 194.234 2.148 10 30 AEEERN CC[C@@H](C#N)c1nc(C)cc(C)n1 259021481 573938241 /nfs/dbraw/zinc/93/82/41/573938241.db2.gz GGZGHKNKWMAARR-VIFPVBQESA-N 0 0 175.235 2.111 10 30 AEEERN C=CCCC(=O)O[C@@H](C#N)CCC 308467651 573938337 /nfs/dbraw/zinc/93/83/37/573938337.db2.gz JMZJMBZMCTVWAI-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C#CCC[C@H]([NH2+]C)c1coc(C)c1 127770394 573938351 /nfs/dbraw/zinc/93/83/51/573938351.db2.gz HPEWEZDSVIWQKX-NSHDSACASA-N 0 0 177.247 2.262 10 30 AEEERN CC[C@@H](CC#N)Sc1ncns1 87514143 573938448 /nfs/dbraw/zinc/93/84/48/573938448.db2.gz VYOYJHFWEGMQFD-LURJTMIESA-N 0 0 199.304 2.322 10 30 AEEERN C#CCC[C@@H]([NH2+]C)c1coc(C)c1 127770142 573938469 /nfs/dbraw/zinc/93/84/69/573938469.db2.gz HPEWEZDSVIWQKX-LLVKDONJSA-N 0 0 177.247 2.262 10 30 AEEERN CCCOC(=O)NC(C#N)(CC)CC 308469045 573938491 /nfs/dbraw/zinc/93/84/91/573938491.db2.gz IQDXWHKDIRUZER-UHFFFAOYSA-N 0 0 198.266 2.205 10 30 AEEERN C=CCCC(=O)O[C@H](C#N)CCC 308467661 573938534 /nfs/dbraw/zinc/93/85/34/573938534.db2.gz JMZJMBZMCTVWAI-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN C=C=C(CC)C[C@@H](O)C=C 238200753 573938654 /nfs/dbraw/zinc/93/86/54/573938654.db2.gz HQDGMFSEBZYOPP-VIFPVBQESA-N 0 0 138.210 2.045 10 30 AEEERN C=CC[C@H](O)c1cnc(C)s1 235838243 573938662 /nfs/dbraw/zinc/93/86/62/573938662.db2.gz RWACDKLGYBDNBF-ZETCQYMHSA-N 0 0 169.249 2.061 10 30 AEEERN CC/C=C/C(=O)O[C@@H](C#N)CCC 308468360 573938836 /nfs/dbraw/zinc/93/88/36/573938836.db2.gz JUALWZKHFMNCNI-VPIOIWJLSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCCCNC(=O)/C=C/CCC 308467711 573938872 /nfs/dbraw/zinc/93/88/72/573938872.db2.gz JNMVIROCWUXMDM-VQHVLOKHSA-N 0 0 181.279 2.425 10 30 AEEERN C=C[C@H](C)[C@H](C)[C@@H](O)C(C)C 238214575 573938899 /nfs/dbraw/zinc/93/88/99/573938899.db2.gz FGKVHSMAHRQHGY-GUBZILKMSA-N 0 0 156.269 2.462 10 30 AEEERN CC1(C)CCC[C@H](CCC#N)[C@@H]1O 238214716 573938930 /nfs/dbraw/zinc/93/89/30/573938930.db2.gz YDHUZBJFCPCLCB-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN C=CC(=O)Cc1ccc(F)cc1C 235821165 573939740 /nfs/dbraw/zinc/93/97/40/573939740.db2.gz BWPFUELDUCMXET-UHFFFAOYSA-N 0 0 178.206 2.432 10 30 AEEERN CC1(C)CCC[C@H](CCC=O)[C@H]1O 238214762 573939797 /nfs/dbraw/zinc/93/97/97/573939797.db2.gz LKXXUNOTFZWCKF-NXEZZACHSA-N 0 0 184.279 2.153 10 30 AEEERN CCC1=CCC2(CC2)C1=O 238200937 573939900 /nfs/dbraw/zinc/93/99/00/573939900.db2.gz ANXSPPMGHMMUCC-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN C=CC[C@H](N)c1nc([C@@H](C)CC)no1 127761696 573939954 /nfs/dbraw/zinc/93/99/54/573939954.db2.gz AXIRPTGIQMQVOI-YUMQZZPRSA-N 0 0 195.266 2.159 10 30 AEEERN C=C(C)C(=O)c1ccc(Cl)nc1 87545953 573939977 /nfs/dbraw/zinc/93/99/77/573939977.db2.gz INEQXERHGFJVDS-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN CCCC1=CC(=O)C[C@H](C)O1 238201025 573940093 /nfs/dbraw/zinc/94/00/93/573940093.db2.gz JASFOXKSILFLJM-ZETCQYMHSA-N 0 0 154.209 2.048 10 30 AEEERN C=C[C@H](O)C=C=C(C)CC 238200537 573940128 /nfs/dbraw/zinc/94/01/28/573940128.db2.gz CRMHNWRJPFTUEP-HSOSERFQSA-N 0 0 138.210 2.045 10 30 AEEERN CCCC1=CC(=O)C(C)(C)O1 238200929 573940320 /nfs/dbraw/zinc/94/03/20/573940320.db2.gz SWIUNNBUTVFVBN-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN CC1(C)[C@@H]2[C@H]1CC[C@@]2(C)C=O 238214745 573941984 /nfs/dbraw/zinc/94/19/84/573941984.db2.gz ILFUARLGURAIBZ-WEDXCCLWSA-N 0 0 152.237 2.258 10 30 AEEERN COc1ccccc1[C@@]1(C)C[C@@H]1C#N 259022912 573941996 /nfs/dbraw/zinc/94/19/96/573941996.db2.gz PYLJODCQHLKIBM-SKDRFNHKSA-N 0 0 187.242 2.496 10 30 AEEERN C#CC[C@H]1CCCC(C)(C)C1=O 238214655 573942003 /nfs/dbraw/zinc/94/20/03/573942003.db2.gz HBPOEQZEKDSDMT-VIFPVBQESA-N 0 0 164.248 2.405 10 30 AEEERN COc1ccccc1[C@]1(C)C[C@H]1C#N 259022910 573942087 /nfs/dbraw/zinc/94/20/87/573942087.db2.gz PYLJODCQHLKIBM-JOYOIKCWSA-N 0 0 187.242 2.496 10 30 AEEERN C=COc1ccc(C#N)c(F)c1 87542696 573942121 /nfs/dbraw/zinc/94/21/21/573942121.db2.gz UFBWYLXRUXTREM-UHFFFAOYSA-N 0 0 163.151 2.220 10 30 AEEERN CC/C(=N\O)NC1CCCCC1 238214535 573942123 /nfs/dbraw/zinc/94/21/23/573942123.db2.gz CDZYRPDYUHWFQF-UHFFFAOYSA-N 0 0 170.256 2.106 10 30 AEEERN C=CC(=O)c1c(F)cccc1OC 87544818 573942126 /nfs/dbraw/zinc/94/21/26/573942126.db2.gz GUKDGDPOSBJFBG-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN CC1(C)CCC[C@H](CCC=O)[C@@H]1O 238214750 573942157 /nfs/dbraw/zinc/94/21/57/573942157.db2.gz LKXXUNOTFZWCKF-ZJUUUORDSA-N 0 0 184.279 2.153 10 30 AEEERN C=C(C)CC#C[C@@H](O)CC(C)C 238201778 573942437 /nfs/dbraw/zinc/94/24/37/573942437.db2.gz PHRHVQKZBOROSH-LLVKDONJSA-N 0 0 166.264 2.363 10 30 AEEERN C#C[C@H](C)[C@@H](O)/C=C\c1ccccc1 308470435 573942490 /nfs/dbraw/zinc/94/24/90/573942490.db2.gz OYMXQVYUFHOYES-OLSPVFQASA-N 0 0 186.254 2.330 10 30 AEEERN C=C(Cl)COc1cccnc1F 87542372 573942492 /nfs/dbraw/zinc/94/24/92/573942492.db2.gz CQTQICINLHLVBB-UHFFFAOYSA-N 0 0 187.601 2.352 10 30 AEEERN CO[C@](C)(C=O)c1ccc(C)cc1 257907545 573942599 /nfs/dbraw/zinc/94/25/99/573942599.db2.gz PUMUSEQRNPPLPU-LLVKDONJSA-N 0 0 178.231 2.056 10 30 AEEERN C[C@@H](C#N)Oc1ccc(Cl)nc1 87543255 573942647 /nfs/dbraw/zinc/94/26/47/573942647.db2.gz RAFFSVUVLLIXNM-LURJTMIESA-N 0 0 182.610 2.026 10 30 AEEERN CC1CCC([C@](C)(O)CC=O)CC1 84996481 573942649 /nfs/dbraw/zinc/94/26/49/573942649.db2.gz UWXGWDCGEOLGLT-VQXHTEKXSA-N 0 0 184.279 2.153 10 30 AEEERN C#CC(C)(C)[C@H](O)[C@@H](C)CCC 215013367 573943536 /nfs/dbraw/zinc/94/35/36/573943536.db2.gz XPDIAJUXDRXBJA-VHSXEESVSA-N 0 0 168.280 2.443 10 30 AEEERN COc1ccccc1[C@@]1(C)C[C@H]1C#N 259022908 573943566 /nfs/dbraw/zinc/94/35/66/573943566.db2.gz PYLJODCQHLKIBM-CABZTGNLSA-N 0 0 187.242 2.496 10 30 AEEERN C=C[C@H]1C[C@@H](C=O)C1(C)C 238203307 573943588 /nfs/dbraw/zinc/94/35/88/573943588.db2.gz LJBSSQUEGLKVET-YUMQZZPRSA-N 0 0 138.210 2.034 10 30 AEEERN Cc1occc1SC[C@]1(C)CO1 235828437 573943610 /nfs/dbraw/zinc/94/36/10/573943610.db2.gz CNWDCEOSHPYJRO-VIFPVBQESA-N 0 0 184.260 2.469 10 30 AEEERN C=C=CC(C=O)(CC)CC 238203417 573942874 /nfs/dbraw/zinc/94/28/74/573942874.db2.gz NKINKKXWMZKSMI-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN C=CC(=O)c1ccnc(Cl)c1 87545330 573942877 /nfs/dbraw/zinc/94/28/77/573942877.db2.gz FUGBNBRGCOWZRD-UHFFFAOYSA-N 0 0 167.595 2.104 10 30 AEEERN CC1CCC([C@@](C)(O)CC=O)CC1 84996483 573942896 /nfs/dbraw/zinc/94/28/96/573942896.db2.gz UWXGWDCGEOLGLT-ILDUYXDCSA-N 0 0 184.279 2.153 10 30 AEEERN Cc1cccc([C@](C)(O)CC=O)c1C 84996453 573942946 /nfs/dbraw/zinc/94/29/46/573942946.db2.gz VMIWBKQMBRDUBA-GFCCVEGCSA-N 0 0 192.258 2.100 10 30 AEEERN C[C@H]1C[C@@H]([C@](C)(O)CC=O)CC[C@H]1C 84996109 573942951 /nfs/dbraw/zinc/94/29/51/573942951.db2.gz UEMBVTVRROEOHP-NOOOWODRSA-N 0 0 198.306 2.399 10 30 AEEERN CO[C@@](C)(C=O)c1ccc(C)cc1 257907547 573942982 /nfs/dbraw/zinc/94/29/82/573942982.db2.gz PUMUSEQRNPPLPU-NSHDSACASA-N 0 0 178.231 2.056 10 30 AEEERN CCc1ccnc([C@@H](C#N)C(C)C)n1 259023087 573943000 /nfs/dbraw/zinc/94/30/00/573943000.db2.gz GIUAULBREVELHD-JTQLQIEISA-N 0 0 189.262 2.302 10 30 AEEERN Cc1ccc([C@@](C)(O)CC=O)cc1C 84996187 573943002 /nfs/dbraw/zinc/94/30/02/573943002.db2.gz IHKWKWZATXUYQH-LBPRGKRZSA-N 0 0 192.258 2.100 10 30 AEEERN Cc1ccc([C@](C)(O)CC=O)cc1C 84996185 573943122 /nfs/dbraw/zinc/94/31/22/573943122.db2.gz IHKWKWZATXUYQH-GFCCVEGCSA-N 0 0 192.258 2.100 10 30 AEEERN C=C[C@@](C)(Cl)C(=O)C(C)C 238203379 573943152 /nfs/dbraw/zinc/94/31/52/573943152.db2.gz MYBYYXVVORYILV-MRVPVSSYSA-N 0 0 160.644 2.395 10 30 AEEERN CC(C)Cn1ncc(C#N)c1C1CC1 259586975 573943261 /nfs/dbraw/zinc/94/32/61/573943261.db2.gz YAQQJNLMHMTQKM-UHFFFAOYSA-N 0 0 189.262 2.288 10 30 AEEERN Cc1ccc([C@@](C)(O)CC=O)c(C)c1 84996463 573943265 /nfs/dbraw/zinc/94/32/65/573943265.db2.gz WSOCMYXDUFLFLW-LBPRGKRZSA-N 0 0 192.258 2.100 10 30 AEEERN C[C@@](O)(CC=O)c1ccccc1Cl 84996019 573943279 /nfs/dbraw/zinc/94/32/79/573943279.db2.gz VQAQISYHNAJMEN-SNVBAGLBSA-N 0 0 198.649 2.137 10 30 AEEERN C#CC(C)(C)[C@H](O)[C@H](C)CCC 215013319 573943311 /nfs/dbraw/zinc/94/33/11/573943311.db2.gz XPDIAJUXDRXBJA-NXEZZACHSA-N 0 0 168.280 2.443 10 30 AEEERN CC(C)C(=O)C=CNc1ccccn1 238203690 573943364 /nfs/dbraw/zinc/94/33/64/573943364.db2.gz WHNSIOFHCSYEFM-SOFGYWHQSA-N 0 0 190.246 2.232 10 30 AEEERN Cc1ccc(C)c(-n2ccc(C#N)n2)c1 259023783 573943414 /nfs/dbraw/zinc/94/34/14/573943414.db2.gz JJGUCHKTSMTVHO-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CCc1nccn1[C@H](CC)CC#N 42419803 573945144 /nfs/dbraw/zinc/94/51/44/573945144.db2.gz IFYOIMJTMXQJNE-SECBINFHSA-N 0 0 177.251 2.310 10 30 AEEERN C[NH+]1CCC(CC(C)(C)C#N)CC1 259244600 573945180 /nfs/dbraw/zinc/94/51/80/573945180.db2.gz WBDCZGDOFFGQFC-UHFFFAOYSA-N 0 0 180.295 2.268 10 30 AEEERN Cc1ccc([C@](C)(O)CC=O)c(C)c1 84996461 573944513 /nfs/dbraw/zinc/94/45/13/573944513.db2.gz WSOCMYXDUFLFLW-GFCCVEGCSA-N 0 0 192.258 2.100 10 30 AEEERN CC(=C=C(C)CO)C#C[Si](C)(C)C 238203699 573944606 /nfs/dbraw/zinc/94/46/06/573944606.db2.gz QNKVELSELPDUSA-UHFFFAOYSA-N 0 0 194.350 2.351 10 30 AEEERN CC(C)c1cnn([C@@H](C)C#N)c1 402005909 573944924 /nfs/dbraw/zinc/94/49/24/573944924.db2.gz HNPJIRWZWKLWAH-QMMMGPOBSA-N 0 0 163.224 2.091 10 30 AEEERN CC(C)C[C@H](O)C#CC(C)(C)C 238201700 573944949 /nfs/dbraw/zinc/94/49/49/573944949.db2.gz RXFURZMFKGNPMO-SNVBAGLBSA-N 0 0 168.280 2.443 10 30 AEEERN CCSc1cc(C)ncc1C#N 306840865 573944971 /nfs/dbraw/zinc/94/49/71/573944971.db2.gz AUBDKOKVKBBZAE-UHFFFAOYSA-N 0 0 178.260 2.374 10 30 AEEERN N#Cc1cc2scc(C#N)c2cc1N 306842446 573944985 /nfs/dbraw/zinc/94/49/85/573944985.db2.gz CFLWZAYYHKWYRP-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN N#Cc1nccc(C2CCCCC2)n1 259025141 573945061 /nfs/dbraw/zinc/94/50/61/573945061.db2.gz GNLSGWXTPAZPAN-UHFFFAOYSA-N 0 0 187.246 2.396 10 30 AEEERN C#CCC[C@@H](O)c1sc(C)nc1C 235833229 573945066 /nfs/dbraw/zinc/94/50/66/573945066.db2.gz YHKIABSVZXIFLX-SECBINFHSA-N 0 0 195.287 2.207 10 30 AEEERN CC(C)c1cnn([C@H](C)C#N)c1 402005908 573945386 /nfs/dbraw/zinc/94/53/86/573945386.db2.gz HNPJIRWZWKLWAH-MRVPVSSYSA-N 0 0 163.224 2.091 10 30 AEEERN C=C1C(C)=C(C)[C@]1(C)C(C)=O 238203263 573945425 /nfs/dbraw/zinc/94/54/25/573945425.db2.gz RBVRNNGRBUVUCR-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C#CC(C)(C)[C@@H](O)[C@H](C)CCC 215013230 573945470 /nfs/dbraw/zinc/94/54/70/573945470.db2.gz XPDIAJUXDRXBJA-ZJUUUORDSA-N 0 0 168.280 2.443 10 30 AEEERN C#CC(C)(C)[C@@H](O)[C@@H](C)CCC 215013278 573945496 /nfs/dbraw/zinc/94/54/96/573945496.db2.gz XPDIAJUXDRXBJA-UWVGGRQHSA-N 0 0 168.280 2.443 10 30 AEEERN C=CCCC(=O)C1(C)CC1 87549178 573945540 /nfs/dbraw/zinc/94/55/40/573945540.db2.gz PGHCJICLTKTEGM-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1CCC(=C(C)CO)CC1 238203604 573945635 /nfs/dbraw/zinc/94/56/35/573945635.db2.gz DIQUVSFTEGVTHT-UHFFFAOYSA-N 0 0 152.237 2.425 10 30 AEEERN C=CC(C=O)(CC)CC 238203285 573945702 /nfs/dbraw/zinc/94/57/02/573945702.db2.gz RLINOYHHUYLZCS-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@H]1C[C@H](C=O)C1(C)C 238203292 573945878 /nfs/dbraw/zinc/94/58/78/573945878.db2.gz LJBSSQUEGLKVET-JGVFFNPUSA-N 0 0 138.210 2.034 10 30 AEEERN CCc1nccn1[C@@H](CC)CC#N 42419802 573945942 /nfs/dbraw/zinc/94/59/42/573945942.db2.gz IFYOIMJTMXQJNE-VIFPVBQESA-N 0 0 177.251 2.310 10 30 AEEERN CC1=C2C(=O)CC[C@@H]2CCC1 238215221 573945963 /nfs/dbraw/zinc/94/59/63/573945963.db2.gz VCOMGMYWZTYFJU-QMMMGPOBSA-N 0 0 150.221 2.466 10 30 AEEERN C[C@H]1CC([C@](C)(O)CC=O)C[C@H](C)C1 84996698 573946000 /nfs/dbraw/zinc/94/60/00/573946000.db2.gz RNZMMIOXUIHBCM-CKYFFXLPSA-N 0 0 198.306 2.399 10 30 AEEERN CC(C)[C@]1(C)C(=O)C=C[C@@H]1C 238204133 573947436 /nfs/dbraw/zinc/94/74/36/573947436.db2.gz DUYHJJPIRMGZEX-WPRPVWTQSA-N 0 0 152.237 2.424 10 30 AEEERN CO[C@@](C)(C=O)c1ccccc1Cl 257913621 573947548 /nfs/dbraw/zinc/94/75/48/573947548.db2.gz XFXRNSAPLPLTAX-JTQLQIEISA-N 0 0 198.649 2.401 10 30 AEEERN C=C[C@H]1C[C@H](CCO)C1(C)C 238206083 573947557 /nfs/dbraw/zinc/94/75/57/573947557.db2.gz MWVOQPUNAWGMOM-IUCAKERBSA-N 0 0 154.253 2.217 10 30 AEEERN CCCC1CCC2(CC1)O[C@H]2C=O 238204281 573946847 /nfs/dbraw/zinc/94/68/47/573946847.db2.gz VWFWVJLQRWSAAI-YVNMAJEFSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC=C([C@]2(O)C[C@H]2CC=O)C1 238205681 573946858 /nfs/dbraw/zinc/94/68/58/573946858.db2.gz HYPZCCUXXYMLAT-ZYHUDNBSSA-N 0 0 194.274 2.073 10 30 AEEERN C#CCC[C@H](O)c1sc(C)nc1C 235831879 573946870 /nfs/dbraw/zinc/94/68/70/573946870.db2.gz YHKIABSVZXIFLX-VIFPVBQESA-N 0 0 195.287 2.207 10 30 AEEERN CO[C@H](C)c1ccc(C#N)cc1 257915490 573946930 /nfs/dbraw/zinc/94/69/30/573946930.db2.gz BLDIKJXRTWDFEB-MRVPVSSYSA-N 0 0 161.204 2.266 10 30 AEEERN CCCC1CCC2(CC1)O[C@@H]2C=O 238204263 573946956 /nfs/dbraw/zinc/94/69/56/573946956.db2.gz VWFWVJLQRWSAAI-HSOILSAZSA-N 0 0 182.263 2.313 10 30 AEEERN CC1=C2C(=O)CC[C@H]2CCC1 238215313 573946960 /nfs/dbraw/zinc/94/69/60/573946960.db2.gz VCOMGMYWZTYFJU-MRVPVSSYSA-N 0 0 150.221 2.466 10 30 AEEERN CC(C)[C@]1(C)C(=O)C=C[C@H]1C 238204224 573947047 /nfs/dbraw/zinc/94/70/47/573947047.db2.gz DUYHJJPIRMGZEX-SCZZXKLOSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)[C@@]1(C=O)O[C@@H]1c1ccccc1 238204523 573947100 /nfs/dbraw/zinc/94/71/00/573947100.db2.gz LPEKNCQMEMFSOQ-VXGBXAGGSA-N 0 0 190.242 2.352 10 30 AEEERN CC1(C)CC=C([C@@]2(O)C[C@@H]2CC=O)C1 238205607 573947160 /nfs/dbraw/zinc/94/71/60/573947160.db2.gz HYPZCCUXXYMLAT-JQWIXIFHSA-N 0 0 194.274 2.073 10 30 AEEERN CC(C)(C=O)CC[C@@H]1CCCO1 317628761 573947250 /nfs/dbraw/zinc/94/72/50/573947250.db2.gz VZBXEFOPRDRHNV-VIFPVBQESA-N 0 0 170.252 2.171 10 30 AEEERN Cc1occc1SC[C@@]1(C)CO1 235825867 573947300 /nfs/dbraw/zinc/94/73/00/573947300.db2.gz CNWDCEOSHPYJRO-SECBINFHSA-N 0 0 184.260 2.469 10 30 AEEERN C=CC[C@H](O)Cc1ccc(F)cc1 42394696 573947344 /nfs/dbraw/zinc/94/73/44/573947344.db2.gz PCPVECWTYOXATO-NSHDSACASA-N 0 0 180.222 2.305 10 30 AEEERN C=C([C@@H](O)C(C)C)C(F)(F)F 238208557 573951692 /nfs/dbraw/zinc/95/16/92/573951692.db2.gz ZKSLIFUNWPRIJB-LURJTMIESA-N 0 0 168.158 2.122 10 30 AEEERN C=C[C@H](O)C(C)(C)C(C)C 238207069 573951781 /nfs/dbraw/zinc/95/17/81/573951781.db2.gz PQIQGPPZUCQRNM-QMMMGPOBSA-N 0 0 142.242 2.216 10 30 AEEERN CC1(C)CCC[C@@H](CCC=O)[C@H]1O 238208046 573951011 /nfs/dbraw/zinc/95/10/11/573951011.db2.gz LKXXUNOTFZWCKF-VHSXEESVSA-N 0 0 184.279 2.153 10 30 AEEERN C=CC[C@@H](O)Cc1ccc(F)cc1 42394699 573951033 /nfs/dbraw/zinc/95/10/33/573951033.db2.gz PCPVECWTYOXATO-LLVKDONJSA-N 0 0 180.222 2.305 10 30 AEEERN C#CC[C@@H]1CCCC(C)(C)C1=O 238207898 573951802 /nfs/dbraw/zinc/95/18/02/573951802.db2.gz HBPOEQZEKDSDMT-SECBINFHSA-N 0 0 164.248 2.405 10 30 AEEERN N#CCCn1nc(C2CC2)cc1Cl 85018910 573951805 /nfs/dbraw/zinc/95/18/05/573951805.db2.gz KDKAQLCEMRMVKX-UHFFFAOYSA-N 0 0 195.653 2.328 10 30 AEEERN CCc1nn(CCC#N)c(Cl)c1C 85018913 573951135 /nfs/dbraw/zinc/95/11/35/573951135.db2.gz TZZWQRQOPQYXLX-UHFFFAOYSA-N 0 0 197.669 2.321 10 30 AEEERN CC1(C)CCC(=O)[C@H]2[C@@H]1C[C@H]2C#N 238207145 573951152 /nfs/dbraw/zinc/95/11/52/573951152.db2.gz NTXICZUZZPGMLU-OYNCUSHFSA-N 0 0 177.247 2.151 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)C[C@](O)(CO)C1 256225158 573951185 /nfs/dbraw/zinc/95/11/85/573951185.db2.gz KRAFHOKNGBKXNW-IJLUTSLNSA-N 0 0 198.306 2.112 10 30 AEEERN CC1=C(CC=O)C(=O)CC(C)(C)C1 238207309 573951341 /nfs/dbraw/zinc/95/13/41/573951341.db2.gz UBCITQSRVPCVEJ-UHFFFAOYSA-N 0 0 180.247 2.281 10 30 AEEERN Cc1nn(CCC#N)c(Cl)c1C 85018902 573951350 /nfs/dbraw/zinc/95/13/50/573951350.db2.gz FLGMYEUERQJPLE-UHFFFAOYSA-N 0 0 183.642 2.067 10 30 AEEERN N#C[C@@H]1CCC2(CCOCC2)C1 257910082 573951389 /nfs/dbraw/zinc/95/13/89/573951389.db2.gz AQIGQRSMDHQWEM-SECBINFHSA-N 0 0 165.236 2.107 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)C[C@](O)(CO)C1 256225160 573951521 /nfs/dbraw/zinc/95/15/21/573951521.db2.gz KRAFHOKNGBKXNW-QJPTWQEYSA-N 0 0 198.306 2.112 10 30 AEEERN C=C[C@H](C)/C=C/[C@@H](O)C(C)C 238207647 573951666 /nfs/dbraw/zinc/95/16/66/573951666.db2.gz XYZNSCZGYWUITB-LOSXEJPUSA-N 0 0 154.253 2.382 10 30 AEEERN CCc1cc(Cl)n(CCC#N)n1 85018928 573953252 /nfs/dbraw/zinc/95/32/52/573953252.db2.gz CVVLJPILGGOEGQ-UHFFFAOYSA-N 0 0 183.642 2.013 10 30 AEEERN Cc1cc(OC(C)C)ncc1C#N 238208114 573953259 /nfs/dbraw/zinc/95/32/59/573953259.db2.gz XREKHXZAQDETIY-UHFFFAOYSA-N 0 0 176.219 2.049 10 30 AEEERN CCCCCN(CC#N)CCC 45092582 573953311 /nfs/dbraw/zinc/95/33/11/573953311.db2.gz GYUGSTOISHTAMY-UHFFFAOYSA-N 0 0 168.284 2.412 10 30 AEEERN C=C[C@@H](C)/C=C/[C@@H](O)C(C)C 238207665 573953438 /nfs/dbraw/zinc/95/34/38/573953438.db2.gz XYZNSCZGYWUITB-UHHSMLKOSA-N 0 0 154.253 2.382 10 30 AEEERN C=C1[C@H](O)CCCC1(C)C 238208398 573953452 /nfs/dbraw/zinc/95/34/52/573953452.db2.gz WLWYMOLXIKBRTM-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN CC[C@@H](CC#N)N(C)Cc1ccoc1 42448233 573953541 /nfs/dbraw/zinc/95/35/41/573953541.db2.gz JXPNMTLEEZUCDI-NSHDSACASA-N 0 0 192.262 2.404 10 30 AEEERN CC1=CC(=O)[C@H]2C[C@@]12C(C)C 238208570 573953580 /nfs/dbraw/zinc/95/35/80/573953580.db2.gz IOMBVMNZYXOLQH-PSASIEDQSA-N 0 0 150.221 2.178 10 30 AEEERN CCCN(CC#N)CCC(C)C 45092647 573953582 /nfs/dbraw/zinc/95/35/82/573953582.db2.gz OYMFWANZGOMYEL-UHFFFAOYSA-N 0 0 168.284 2.268 10 30 AEEERN CC(C)Oc1c(F)cccc1C#N 238206769 573953619 /nfs/dbraw/zinc/95/36/19/573953619.db2.gz VBXCHQGYCYRUTH-UHFFFAOYSA-N 0 0 179.194 2.485 10 30 AEEERN CCc1c(C)nn(CCC#N)c1Cl 85018898 573953662 /nfs/dbraw/zinc/95/36/62/573953662.db2.gz OVCHZLLDJVBCEI-UHFFFAOYSA-N 0 0 197.669 2.321 10 30 AEEERN CC1(C)CCC[C@@H](CCC#N)[C@H]1O 238207998 573953672 /nfs/dbraw/zinc/95/36/72/573953672.db2.gz YDHUZBJFCPCLCB-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CC[C@H](C)[C@@H]1C=O 104097785 573953692 /nfs/dbraw/zinc/95/36/92/573953692.db2.gz TWPSKUFLOADAND-YIZRAAEISA-N 0 0 140.226 2.258 10 30 AEEERN N#CCc1csc(CC2CC2)n1 87583854 573953780 /nfs/dbraw/zinc/95/37/80/573953780.db2.gz QFQUXDVWPHHWKH-UHFFFAOYSA-N 0 0 178.260 2.162 10 30 AEEERN N#CCC(F)(F)c1ccc[nH]1 259027072 573953815 /nfs/dbraw/zinc/95/38/15/573953815.db2.gz QTGKEAAIESSNFQ-UHFFFAOYSA-N 0 0 156.135 2.020 10 30 AEEERN CC[C@H](CC#N)N(CC)C[C@@H](C)C#N 42447141 573953819 /nfs/dbraw/zinc/95/38/19/573953819.db2.gz ZDYBYPCGLBNXQD-WDEREUQCSA-N 0 0 193.294 2.160 10 30 AEEERN CC(C)[C@]1(C#N)C[C@H]1C 259027373 573953832 /nfs/dbraw/zinc/95/38/32/573953832.db2.gz QWHXBSLCARHJNV-HTQZYQBOSA-N 0 0 123.199 2.192 10 30 AEEERN CC[C@@H]1CC[C@@H](C)[C@@H]1C=O 104097795 573953920 /nfs/dbraw/zinc/95/39/20/573953920.db2.gz TWPSKUFLOADAND-HLTSFMKQSA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)[C@@]1(C#N)C[C@@H]1C 259027378 573953924 /nfs/dbraw/zinc/95/39/24/573953924.db2.gz QWHXBSLCARHJNV-YUMQZZPRSA-N 0 0 123.199 2.192 10 30 AEEERN CN(C)[C@@]1(C#N)CCC[C@H](C2CC2)C1 81648099 573954019 /nfs/dbraw/zinc/95/40/19/573954019.db2.gz LVEZCWZQERRLOB-RYUDHWBXSA-N 0 0 192.306 2.411 10 30 AEEERN CCCN[C@@](C)(C#N)CCOC(C)C 45208285 573954045 /nfs/dbraw/zinc/95/40/45/573954045.db2.gz DBXXOFCEARIZGE-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CC(C)[C@]1(C=O)O[C@H]1c1ccccc1 238209642 573955322 /nfs/dbraw/zinc/95/53/22/573955322.db2.gz LPEKNCQMEMFSOQ-RYUDHWBXSA-N 0 0 190.242 2.352 10 30 AEEERN C=CC[C@@H]1CCC(CO)=C1C 238209906 573954585 /nfs/dbraw/zinc/95/45/85/573954585.db2.gz RDCCOOZUIWAHGL-SECBINFHSA-N 0 0 152.237 2.281 10 30 AEEERN CN(C)[C@]1(C#N)CCC[C@H](C2CC2)C1 81648095 573954615 /nfs/dbraw/zinc/95/46/15/573954615.db2.gz LVEZCWZQERRLOB-NWDGAFQWSA-N 0 0 192.306 2.411 10 30 AEEERN N#C[C@H]1CSc2ccccc2C1=O 104097203 573954663 /nfs/dbraw/zinc/95/46/63/573954663.db2.gz ZDBNYOBLOCLSQV-ZETCQYMHSA-N 0 0 189.239 2.115 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@H](C2CC2)C1 81642432 573954664 /nfs/dbraw/zinc/95/46/64/573954664.db2.gz BXAQIRPHGPFWLF-RYUDHWBXSA-N 0 0 192.306 2.458 10 30 AEEERN CN[C@@]1(C#N)CCC[C@H](C2CC2)C1 81642416 573954685 /nfs/dbraw/zinc/95/46/85/573954685.db2.gz XZAAKRREVXONSH-QWRGUYRKSA-N 0 0 178.279 2.068 10 30 AEEERN C1C[C@H](C2CC2)C[C@@]2(C1)CO2 81649094 573954713 /nfs/dbraw/zinc/95/47/13/573954713.db2.gz PVMAGNLGOIAMSQ-UWVGGRQHSA-N 0 0 152.237 2.356 10 30 AEEERN CCCCOC[C@@](C)(C#N)NCCC 45213434 573954715 /nfs/dbraw/zinc/95/47/15/573954715.db2.gz GJIZENDHYMSQSB-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN C#Cc1ccc(CN[C@H](C)CC#N)cc1 308821721 573954721 /nfs/dbraw/zinc/95/47/21/573954721.db2.gz CHDAEVPPGZYBFK-LLVKDONJSA-N 0 0 198.269 2.060 10 30 AEEERN C[C@@]1(C#N)C[C@H]1c1cc[nH]c1 259026449 573954785 /nfs/dbraw/zinc/95/47/85/573954785.db2.gz QPYBRFMPBDAXJP-IUCAKERBSA-N 0 0 146.193 2.032 10 30 AEEERN N#C[C@H](NC1CCCC1)C1CCC1 87585283 573954822 /nfs/dbraw/zinc/95/48/22/573954822.db2.gz VKCJCLZDHCYNOC-NSHDSACASA-N 0 0 178.279 2.211 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@@H](C2CC2)C1 81642437 573954850 /nfs/dbraw/zinc/95/48/50/573954850.db2.gz BXAQIRPHGPFWLF-NEPJUHHUSA-N 0 0 192.306 2.458 10 30 AEEERN CN(C)[C@@]1(C#N)CCC[C@@H](C2CC2)C1 81648103 573954904 /nfs/dbraw/zinc/95/49/04/573954904.db2.gz LVEZCWZQERRLOB-NEPJUHHUSA-N 0 0 192.306 2.411 10 30 AEEERN CCCCCOC[C@](C)(C#N)NCC 45213532 573954946 /nfs/dbraw/zinc/95/49/46/573954946.db2.gz LBFZIJZENDAGOX-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCCSC[C@](C)(C#N)NC 45215768 573954955 /nfs/dbraw/zinc/95/49/55/573954955.db2.gz LBAHDFARDMSMEH-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCC(N)=[NH+][N-]c1ccccc1Cl 238210543 573954986 /nfs/dbraw/zinc/95/49/86/573954986.db2.gz UQYBTROZIKMTCE-UHFFFAOYSA-N 0 0 197.669 2.434 10 30 AEEERN CCCC[C@H](CCC=O)OC 238210785 573954997 /nfs/dbraw/zinc/95/49/97/573954997.db2.gz JXOXAUQOHJMMDW-SECBINFHSA-N 0 0 158.241 2.171 10 30 AEEERN CC(C)C[C@@H](C)OCC[C@@](C)(N)C#N 45208563 573955105 /nfs/dbraw/zinc/95/51/05/573955105.db2.gz KRSGGMCANAMEIA-GHMZBOCLSA-N 0 0 198.310 2.069 10 30 AEEERN CC(C)[C@@]1(C#N)C[C@H]1C 259027376 573955109 /nfs/dbraw/zinc/95/51/09/573955109.db2.gz QWHXBSLCARHJNV-SFYZADRCSA-N 0 0 123.199 2.192 10 30 AEEERN C#Cc1ccc(CN[C@@H](C)CC#N)cc1 308821722 573955120 /nfs/dbraw/zinc/95/51/20/573955120.db2.gz CHDAEVPPGZYBFK-NSHDSACASA-N 0 0 198.269 2.060 10 30 AEEERN C=C1[C@@H](CCO)[C@@]1(C)C(C)C 238209401 573955134 /nfs/dbraw/zinc/95/51/34/573955134.db2.gz IKFVARWYNMRTAT-ZJUUUORDSA-N 0 0 154.253 2.217 10 30 AEEERN CCCCOC[C@](C)(C#N)NCCC 45213437 573955178 /nfs/dbraw/zinc/95/51/78/573955178.db2.gz GJIZENDHYMSQSB-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CC[C@@H](CC#N)N(CC)C[C@@H](C)C#N 42447139 573955180 /nfs/dbraw/zinc/95/51/80/573955180.db2.gz ZDYBYPCGLBNXQD-QWRGUYRKSA-N 0 0 193.294 2.160 10 30 AEEERN CC(C)C[C@@H](C)OCC[C@](C)(N)C#N 45208559 573955188 /nfs/dbraw/zinc/95/51/88/573955188.db2.gz KRSGGMCANAMEIA-MNOVXSKESA-N 0 0 198.310 2.069 10 30 AEEERN C[C@H](CC#N)N(C)Cc1ccoc1 42448269 573955277 /nfs/dbraw/zinc/95/52/77/573955277.db2.gz CVVHFJJGTIXBHJ-SECBINFHSA-N 0 0 178.235 2.014 10 30 AEEERN C=C[C@H](CC=O)C(C)C 238209350 573955289 /nfs/dbraw/zinc/95/52/89/573955289.db2.gz PWVPHUZIOOCWBB-MRVPVSSYSA-N 0 0 126.199 2.034 10 30 AEEERN COc1ccc([C@H]2C[C@@H]2C#N)cc1F 259252061 573957162 /nfs/dbraw/zinc/95/71/62/573957162.db2.gz TYMPRIDWFNPQGW-RKDXNWHRSA-N 0 0 191.205 2.461 10 30 AEEERN C1C[C@@H](C2CC2)C[C@@]2(C1)CO2 81649096 573957184 /nfs/dbraw/zinc/95/71/84/573957184.db2.gz PVMAGNLGOIAMSQ-ZJUUUORDSA-N 0 0 152.237 2.356 10 30 AEEERN CC1(C)[C@@H](Oc2ccccc2)[C@@H]1C=O 238209902 573957222 /nfs/dbraw/zinc/95/72/22/573957222.db2.gz ULMSDHWCHHITCI-QWRGUYRKSA-N 0 0 190.242 2.289 10 30 AEEERN CCCCCOCC[C@@](C)(C#N)NC 45213593 573957241 /nfs/dbraw/zinc/95/72/41/573957241.db2.gz PFGNXVPGXMHHNR-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN C=C1C(=O)[C@H]2CC=C[C@H]2C1(C)C 238210651 573957275 /nfs/dbraw/zinc/95/72/75/573957275.db2.gz SGVLNWGIVHWDDE-DTWKUNHWSA-N 0 0 162.232 2.344 10 30 AEEERN C#CCN(c1ccccc1O)C(C)C 238210092 573957292 /nfs/dbraw/zinc/95/72/92/573957292.db2.gz KNUSNTAMHBZINS-UHFFFAOYSA-N 0 0 189.258 2.240 10 30 AEEERN CC/C(C)=C/CCC#CCO 238209544 573957348 /nfs/dbraw/zinc/95/73/48/573957348.db2.gz BRXUBYMUOHGKPF-CSKARUKUSA-N 0 0 152.237 2.119 10 30 AEEERN CCCN[C@@](C)(C#N)CO[C@H](C)CC 45213936 573957484 /nfs/dbraw/zinc/95/74/84/573957484.db2.gz YNBVLLSYMQFDBZ-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN N#C[C@H](C1CCC1)N1CCCCC1 87585773 573957514 /nfs/dbraw/zinc/95/75/14/573957514.db2.gz NPKFHYKQGSZTFD-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN N#CC1([C@@H](O)C2CCC2)CCCC1 87586516 573957662 /nfs/dbraw/zinc/95/76/62/573957662.db2.gz CMJJHUNPNJEQNT-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN Oc1cccc2cc(CS)[nH]c12 257911767 573957688 /nfs/dbraw/zinc/95/76/88/573957688.db2.gz PXBQWYPWDWEGPC-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN CCCCSC[C@@](C)(C#N)NC 45215765 573957759 /nfs/dbraw/zinc/95/77/59/573957759.db2.gz LBAHDFARDMSMEH-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN C=C[C@H](NN)c1ccc(Cl)cc1C 235848596 573957784 /nfs/dbraw/zinc/95/77/84/573957784.db2.gz WBFHAUHODFTDBB-JTQLQIEISA-N 0 0 196.681 2.339 10 30 AEEERN CCCN[C@@](C)(C#N)CCOCCC 45213401 573957903 /nfs/dbraw/zinc/95/79/03/573957903.db2.gz QOXFTZWXSKTZKJ-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN C=C[C@]1(CO)CCCC1(C)C 238212576 573957930 /nfs/dbraw/zinc/95/79/30/573957930.db2.gz VDYGRIIQRFBWIN-SNVBAGLBSA-N 0 0 154.253 2.361 10 30 AEEERN N#CC[C@@H](CF)C1CCC1 258463863 573959530 /nfs/dbraw/zinc/95/95/30/573959530.db2.gz HLVKSQYZWXTLDY-QMMMGPOBSA-N 0 0 141.189 2.286 10 30 AEEERN COc1ccc([C@@H]2C[C@H]2C#N)cc1F 259252057 573958580 /nfs/dbraw/zinc/95/85/80/573958580.db2.gz TYMPRIDWFNPQGW-IUCAKERBSA-N 0 0 191.205 2.461 10 30 AEEERN CCCCCOCC[C@](C)(C#N)NC 45213596 573958682 /nfs/dbraw/zinc/95/86/82/573958682.db2.gz PFGNXVPGXMHHNR-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN C=CCC(=O)C[C@H](O)C1CCCCC1 238724060 573958730 /nfs/dbraw/zinc/95/87/30/573958730.db2.gz UIXSCZGOYGZNNS-LBPRGKRZSA-N 0 0 196.290 2.463 10 30 AEEERN N#CC1([C@H](O)C2CCC2)CCCC1 87586515 573958766 /nfs/dbraw/zinc/95/87/66/573958766.db2.gz CMJJHUNPNJEQNT-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN C#C[C@@H](O)/C(=C\c1ccccc1)CC 238211947 573958809 /nfs/dbraw/zinc/95/88/09/573958809.db2.gz VNZBMGSHDOICIJ-KXXVWKPMSA-N 0 0 186.254 2.474 10 30 AEEERN CC1=C/C(=N\CCO)CC(C)(C)C1 238215692 573958874 /nfs/dbraw/zinc/95/88/74/573958874.db2.gz IFRVHHXHUSDTAM-ZRDIBKRKSA-N 0 0 181.279 2.186 10 30 AEEERN C=C(C[C@@H](O)C(C)C)C1CC1 238211248 573959004 /nfs/dbraw/zinc/95/90/04/573959004.db2.gz DHPYYIQUXMXYEQ-SNVBAGLBSA-N 0 0 154.253 2.360 10 30 AEEERN N#CC[C@H](CF)C1CCC1 258463860 573959085 /nfs/dbraw/zinc/95/90/85/573959085.db2.gz HLVKSQYZWXTLDY-MRVPVSSYSA-N 0 0 141.189 2.286 10 30 AEEERN CC1C(=O)C(=O)[C@H]2C[C@@H]1C2(C)C 238212587 573959106 /nfs/dbraw/zinc/95/91/06/573959106.db2.gz QHAVDLREFOOREO-NKWVEPMBSA-N 0 0 166.220 2.063 10 30 AEEERN Nc1cccc2c(CS)c[nH]c12 257913295 573959119 /nfs/dbraw/zinc/95/91/19/573959119.db2.gz QALPQODAZPQJFN-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN CCCCC#CC[C@@H](C)C=O 238215613 573959199 /nfs/dbraw/zinc/95/91/99/573959199.db2.gz PULSHGSYHJHAED-SNVBAGLBSA-N 0 0 152.237 2.405 10 30 AEEERN C=C(C)C#C[C@H](CCO)C(C)C 238212115 573959239 /nfs/dbraw/zinc/95/92/39/573959239.db2.gz UPPJAUKFILGIOG-LLVKDONJSA-N 0 0 166.264 2.221 10 30 AEEERN CC(C)[C@]12CC[C@H](C=O)[C@H]1C2 238212372 573959243 /nfs/dbraw/zinc/95/92/43/573959243.db2.gz ZCGGZKSWNSMSBW-OPRDCNLKSA-N 0 0 152.237 2.258 10 30 AEEERN CC(C)COCCCC[C@@](C)(N)C#N 45325814 573959383 /nfs/dbraw/zinc/95/93/83/573959383.db2.gz CBBNIIVKDKOYNT-LLVKDONJSA-N 0 0 198.310 2.070 10 30 AEEERN C=C[C@@H](C)n1cc(C)nc1C 715091956 573962330 /nfs/dbraw/zinc/96/23/30/573962330.db2.gz OPDUWKXDZIGSOW-MRVPVSSYSA-N 0 0 150.225 2.247 10 30 AEEERN C=C[C@H](C)n1cc(C)nc1C 715091962 573962359 /nfs/dbraw/zinc/96/23/59/573962359.db2.gz OPDUWKXDZIGSOW-QMMMGPOBSA-N 0 0 150.225 2.247 10 30 AEEERN CCC(C)(C)OCC[C@](C)(C#N)NC 45207815 573962404 /nfs/dbraw/zinc/96/24/04/573962404.db2.gz CZQBGKOAYWIGLV-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCCCC#C[C@@H](CC)CO 238216007 573962406 /nfs/dbraw/zinc/96/24/06/573962406.db2.gz CPPMUXYQMVCDNH-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN CC[C@@H](C)SC[C@@](C)(C#N)NC 45216854 573962415 /nfs/dbraw/zinc/96/24/15/573962415.db2.gz AZVFGMILIIUQCY-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN CC(C)N[C@@](C)(C#N)COC(C)(C)C 45207669 573962443 /nfs/dbraw/zinc/96/24/43/573962443.db2.gz XKUCXZYLTCHRRT-NSHDSACASA-N 0 0 198.310 2.082 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(C=O)C2 238216761 573962454 /nfs/dbraw/zinc/96/24/54/573962454.db2.gz XKUCBTFMTYLIAM-APPZFPTMSA-N 0 0 138.210 2.012 10 30 AEEERN C=C1C=CC(=O)C=C(C)C1 238216280 573962459 /nfs/dbraw/zinc/96/24/59/573962459.db2.gz ILUMZLJPMUECFC-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN CC1=CC(=O)CC[C@@]1(C)CCCO 238216912 573962509 /nfs/dbraw/zinc/96/25/09/573962509.db2.gz XOPJXXHLQADWIB-LLVKDONJSA-N 0 0 182.263 2.074 10 30 AEEERN CSC(=NC1(C)CCCC1)NC#N 87587701 573962538 /nfs/dbraw/zinc/96/25/38/573962538.db2.gz QXAZDFGUSYBKTR-UHFFFAOYSA-N 0 0 197.307 2.109 10 30 AEEERN C[C@@H]1Cc2cc(CC=O)ccc2S1 257921140 573962690 /nfs/dbraw/zinc/96/26/90/573962690.db2.gz BZMUYDUYQUJAIV-MRVPVSSYSA-N 0 0 192.283 2.465 10 30 AEEERN C=CC/C(=C\CC)CCO 238217210 573962868 /nfs/dbraw/zinc/96/28/68/573962868.db2.gz VLXKMNMUEIUNHL-RMKNXTFCSA-N 0 0 140.226 2.281 10 30 AEEERN CC(C)N[C@](C)(C#N)COC(C)(C)C 45207668 573962869 /nfs/dbraw/zinc/96/28/69/573962869.db2.gz XKUCXZYLTCHRRT-LLVKDONJSA-N 0 0 198.310 2.082 10 30 AEEERN CSCC[C@](C)(C#N)NC(C)C 45220409 573962895 /nfs/dbraw/zinc/96/28/95/573962895.db2.gz GBMCBAVUHFSHOW-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN C=C(CC)C[C@H](O)[C@@H](C)OCC 85061687 573962940 /nfs/dbraw/zinc/96/29/40/573962940.db2.gz QFBIXUUDCIAZSN-ZJUUUORDSA-N 0 0 172.268 2.129 10 30 AEEERN COc1ccc(C)cc1[C@@H](F)C=O 257920940 573962941 /nfs/dbraw/zinc/96/29/41/573962941.db2.gz RLPHFXZSTDTRBM-VIFPVBQESA-N 0 0 182.194 2.213 10 30 AEEERN CC1=CC(=O)CC[C@]1(C)CCCO 238217119 573963016 /nfs/dbraw/zinc/96/30/16/573963016.db2.gz XOPJXXHLQADWIB-NSHDSACASA-N 0 0 182.263 2.074 10 30 AEEERN CCCCC#C[C@@H](O)c1ccccn1 238216809 573963030 /nfs/dbraw/zinc/96/30/30/573963030.db2.gz KPWGHILGVXQRPA-GFCCVEGCSA-N 0 0 189.258 2.309 10 30 AEEERN C=C(C)[C@@H]1CC=C(C)[C@](O)(CCO)C1 222827896 573963034 /nfs/dbraw/zinc/96/30/34/573963034.db2.gz CSCGMABHQZIUSC-NEPJUHHUSA-N 0 0 196.290 2.032 10 30 AEEERN CCC(C)(C)OCC[C@@](C)(C#N)NC 45207814 573963035 /nfs/dbraw/zinc/96/30/35/573963035.db2.gz CZQBGKOAYWIGLV-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN C=CC[C@@H](O)/C(C)=C\CC 238216526 573963041 /nfs/dbraw/zinc/96/30/41/573963041.db2.gz YUMUHWDQAZGKTO-JGAIRUGNSA-N 0 0 140.226 2.280 10 30 AEEERN CC/C=C/C(=O)/C=C/Cl 238218556 573967293 /nfs/dbraw/zinc/96/72/93/573967293.db2.gz QUSMKMUNUKFSSC-VNKDHWASSA-N 0 0 144.601 2.274 10 30 AEEERN CC[C@@H](CC#N)N(CCC#N)C(C)C 42528740 573967338 /nfs/dbraw/zinc/96/73/38/573967338.db2.gz BMRPVRICZUPKRF-NSHDSACASA-N 0 0 193.294 2.303 10 30 AEEERN CCCCCOCCC[C@](C)(N)C#N 45330422 573967359 /nfs/dbraw/zinc/96/73/59/573967359.db2.gz CAFKPAYCTIJNIH-NSHDSACASA-N 0 0 198.310 2.214 10 30 AEEERN COCC(C)(C)c1ccccc1C#N 259253919 573967369 /nfs/dbraw/zinc/96/73/69/573967369.db2.gz APTLEMPGXJTNST-UHFFFAOYSA-N 0 0 189.258 2.482 10 30 AEEERN C=CCN(CC)c1ccccc1CO 131781002 573967378 /nfs/dbraw/zinc/96/73/78/573967378.db2.gz WVFASSUDIMTOPD-UHFFFAOYSA-N 0 0 191.274 2.191 10 30 AEEERN CCCN=C(C)Nc1ccccn1 238219579 573967408 /nfs/dbraw/zinc/96/74/08/573967408.db2.gz OPJFWYYDHVKGBS-UHFFFAOYSA-N 0 0 177.251 2.322 10 30 AEEERN CCC/C=N/[C@@H]1CCCC[C@H]1O 238219170 573967414 /nfs/dbraw/zinc/96/74/14/573967414.db2.gz TXTXMHNWCOQRQF-DBUSQJFRSA-N 0 0 169.268 2.161 10 30 AEEERN CCCCSC[C@H](C#N)NC1CC1 45332527 573967438 /nfs/dbraw/zinc/96/74/38/573967438.db2.gz DUYNDFIIMKCPRQ-JTQLQIEISA-N 0 0 198.335 2.164 10 30 AEEERN N#Cc1noc(C2CCC2)c1Cl 82320512 573967562 /nfs/dbraw/zinc/96/75/62/573967562.db2.gz RGKFIKDQFQLWHE-UHFFFAOYSA-N 0 0 182.610 2.467 10 30 AEEERN CCCCOCCCC[C@](C)(N)C#N 45330263 573967598 /nfs/dbraw/zinc/96/75/98/573967598.db2.gz UCCGTUHEMPAAOH-NSHDSACASA-N 0 0 198.310 2.214 10 30 AEEERN CC[C@@H](C)SC[C@@H](C#N)NC1CC1 45333564 573967673 /nfs/dbraw/zinc/96/76/73/573967673.db2.gz JDELBWRMTANWJN-PSASIEDQSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)N(CCC#N)C(=O)C(C)(C)C 42530471 573967685 /nfs/dbraw/zinc/96/76/85/573967685.db2.gz SRICCNWPVRSDBH-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN CCCCC#C[C@H]1CCC[C@H](O)O1 238218543 573967689 /nfs/dbraw/zinc/96/76/89/573967689.db2.gz UCIXVNREXYHQQW-WDEREUQCSA-N 0 0 182.263 2.068 10 30 AEEERN CCSCCCC[C@@](C)(N)C#N 45333403 573967759 /nfs/dbraw/zinc/96/77/59/573967759.db2.gz ZUINQUAHOWDNJV-SECBINFHSA-N 0 0 186.324 2.151 10 30 AEEERN CCCCSC[C@@H](C#N)NCC 45332511 573967810 /nfs/dbraw/zinc/96/78/10/573967810.db2.gz PKWBIHADKNVENC-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CC[C@@H](C)OCCCC[C@@](C)(N)C#N 45330732 573967819 /nfs/dbraw/zinc/96/78/19/573967819.db2.gz GBSWAUNKUNPKDF-GHMZBOCLSA-N 0 0 198.310 2.213 10 30 AEEERN CC[C@@H]1CCC[C@@H]([C@](C)(O)C=O)C1 85074308 573967862 /nfs/dbraw/zinc/96/78/62/573967862.db2.gz BPAJWRAOSCQZMF-GMTAPVOTSA-N 0 0 184.279 2.153 10 30 AEEERN CC[C@H](CC#N)N(CCC#N)C(C)C 42528741 573967931 /nfs/dbraw/zinc/96/79/31/573967931.db2.gz BMRPVRICZUPKRF-LLVKDONJSA-N 0 0 193.294 2.303 10 30 AEEERN CC[C@H](C)OCCC[C@](C)(C#N)NC 45330874 573967943 /nfs/dbraw/zinc/96/79/43/573967943.db2.gz SXOKKUGGEIPGBM-WDEREUQCSA-N 0 0 198.310 2.083 10 30 AEEERN CCC/C=N/[C@H]1CCCC[C@@H]1O 238219372 573967968 /nfs/dbraw/zinc/96/79/68/573967968.db2.gz TXTXMHNWCOQRQF-CWIHFQEBSA-N 0 0 169.268 2.161 10 30 AEEERN CCN[C@@H](C#N)CS[C@@H](C)CC 45333553 573967990 /nfs/dbraw/zinc/96/79/90/573967990.db2.gz GYHMMPDZBSUYRF-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN CCN[C@H](C#N)CS[C@@H](C)CC 45333549 573968017 /nfs/dbraw/zinc/96/80/17/573968017.db2.gz GYHMMPDZBSUYRF-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN C=C1[C@H]2CCC(=O)[C@@H]2C1(C)C 238219666 573968056 /nfs/dbraw/zinc/96/80/56/573968056.db2.gz DTKDBYLMESQYSF-VXNVDRBHSA-N 0 0 150.221 2.178 10 30 AEEERN CC1(C)CCC(=O)[C@H](CC#N)C1 259590230 573970114 /nfs/dbraw/zinc/97/01/14/573970114.db2.gz FXFAYAPBORKNKN-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN COc1ccc(C(=O)C#N)c(C)c1C 259253388 573969237 /nfs/dbraw/zinc/96/92/37/573969237.db2.gz SFXRNPZXTQNSIR-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN C=C[C@](C)(Cl)C(=O)CC 238228598 573969277 /nfs/dbraw/zinc/96/92/77/573969277.db2.gz WQBYMPJUIKRVAH-ZETCQYMHSA-N 0 0 146.617 2.149 10 30 AEEERN CCCCSC[C@@H](C#N)NC1CC1 45332525 573970126 /nfs/dbraw/zinc/97/01/26/573970126.db2.gz DUYNDFIIMKCPRQ-SNVBAGLBSA-N 0 0 198.335 2.164 10 30 AEEERN Cc1ccc(/C=C\CC=O)o1 258193030 573969461 /nfs/dbraw/zinc/96/94/61/573969461.db2.gz MUQQYHTUBHJGPW-RQOWECAXSA-N 0 0 150.177 2.190 10 30 AEEERN CCc1nc2csc(C#N)c2n1C 259590076 573969556 /nfs/dbraw/zinc/96/95/56/573969556.db2.gz FLZDLMHPTBJKJD-UHFFFAOYSA-N 0 0 191.259 2.069 10 30 AEEERN Cc1cc(C(C)C)c(C#N)[nH]1 238228226 573969777 /nfs/dbraw/zinc/96/97/77/573969777.db2.gz ASYINMWYDOWEOS-UHFFFAOYSA-N 0 0 148.209 2.318 10 30 AEEERN C#C[C@H]1C[C@@H]1C(=O)CCCC 238228855 573969783 /nfs/dbraw/zinc/96/97/83/573969783.db2.gz VCZDEOCWUQXLJE-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN C[C@H]1CC([C@](C)(O)C=O)C[C@H](C)C1 85074182 573969790 /nfs/dbraw/zinc/96/97/90/573969790.db2.gz HQMDNIYQDXIRHB-FXPVBKGRSA-N 0 0 184.279 2.009 10 30 AEEERN C=C[C@@H](CC=O)C(C)C 238227497 573969905 /nfs/dbraw/zinc/96/99/05/573969905.db2.gz PWVPHUZIOOCWBB-QMMMGPOBSA-N 0 0 126.199 2.034 10 30 AEEERN CC[C@H](C)SC[C@H](C#N)NC1CC1 45333567 573969908 /nfs/dbraw/zinc/96/99/08/573969908.db2.gz JDELBWRMTANWJN-WPRPVWTQSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)(C)SC[C@H](C#N)NC1CC1 45333611 573970021 /nfs/dbraw/zinc/97/00/21/573970021.db2.gz HYEXLYOWGVDFJM-VIFPVBQESA-N 0 0 198.335 2.162 10 30 AEEERN CCCCCOCCC[C@@](C)(N)C#N 45330425 573970061 /nfs/dbraw/zinc/97/00/61/573970061.db2.gz CAFKPAYCTIJNIH-LLVKDONJSA-N 0 0 198.310 2.214 10 30 AEEERN CN[C@@H](C#N)CSC1CCCCC1 45366188 573972182 /nfs/dbraw/zinc/97/21/82/573972182.db2.gz IKGYZWJHKMICSQ-VIFPVBQESA-N 0 0 198.335 2.164 10 30 AEEERN CCCCCC[C@H](C)OC[C@@H](N)C#N 45323968 573972210 /nfs/dbraw/zinc/97/22/10/573972210.db2.gz FYOILYZFOPGBJZ-QWRGUYRKSA-N 0 0 198.310 2.213 10 30 AEEERN O=CCCc1c(F)ccc(F)c1F 104398992 573972636 /nfs/dbraw/zinc/97/26/36/573972636.db2.gz CBRTVEVXLABMKX-UHFFFAOYSA-N 0 0 188.148 2.235 10 30 AEEERN C=C(C)C#C[C@@H](CCO)C(C)C 238229510 573972842 /nfs/dbraw/zinc/97/28/42/573972842.db2.gz UPPJAUKFILGIOG-NSHDSACASA-N 0 0 166.264 2.221 10 30 AEEERN Cc1cc(C(C)C)cc(C#N)n1 238228912 573974712 /nfs/dbraw/zinc/97/47/12/573974712.db2.gz HBXGYBVNOMKYAP-UHFFFAOYSA-N 0 0 160.220 2.385 10 30 AEEERN CCCCC/C=C/C#CCO 238234862 573974747 /nfs/dbraw/zinc/97/47/47/573974747.db2.gz LCMAMZWQORNRLA-VOTSOKGWSA-N 0 0 152.237 2.119 10 30 AEEERN C=CCC[C@H](O)/C=C/CC 238223709 573974844 /nfs/dbraw/zinc/97/48/44/573974844.db2.gz FVEULAIRVHEBOM-ORZBULNSSA-N 0 0 140.226 2.280 10 30 AEEERN CCCC[C@@H](CC)COC[C@@H](N)C#N 45324549 573974947 /nfs/dbraw/zinc/97/49/47/573974947.db2.gz QZDKVXXOXQUXLS-MNOVXSKESA-N 0 0 198.310 2.070 10 30 AEEERN C#C[C@](C)(CC)C(=O)CC 238228427 573974996 /nfs/dbraw/zinc/97/49/96/573974996.db2.gz NCXNSMXQKHBLEZ-SECBINFHSA-N 0 0 138.210 2.015 10 30 AEEERN CCC(=O)C#CC(C)(C)C 104392847 573975007 /nfs/dbraw/zinc/97/50/07/573975007.db2.gz JOLJNQFJPAOOBN-YVMONPNESA-N 0 0 138.210 2.498 10 30 AEEERN C#CCCC[C@@H](NN)[C@H](C)CCC 161016958 573975010 /nfs/dbraw/zinc/97/50/10/573975010.db2.gz FFSKNLYOYSMHJG-GHMZBOCLSA-N 0 0 182.311 2.058 10 30 AEEERN CC1(C)C(=O)[C@]2(C)CC[C@H]1C[C@@H]2C=O 238229436 573975094 /nfs/dbraw/zinc/97/50/94/573975094.db2.gz KFIQOYJCJKSLMK-YGOYTEALSA-N 0 0 194.274 2.217 10 30 AEEERN CCCC#C[C@H](C)CC(C)=O 238220748 573975106 /nfs/dbraw/zinc/97/51/06/573975106.db2.gz YXCSSOYUJRFXLX-VIFPVBQESA-N 0 0 152.237 2.405 10 30 AEEERN C=C(C#CC1=CCCCC1)CO 198635207 573975173 /nfs/dbraw/zinc/97/51/73/573975173.db2.gz DVGPOGJGBALQAX-UHFFFAOYSA-N 0 0 162.232 2.039 10 30 AEEERN C#C[C@@]12CC[C@@](C)([C@@H](O)C1)C2(C)C 238228882 573975210 /nfs/dbraw/zinc/97/52/10/573975210.db2.gz KYGQEHXRKZPAKG-ZMLRMANQSA-N 0 0 178.275 2.197 10 30 AEEERN CC(C)N[C@@H](C#N)CSC(C)C 45366308 573975250 /nfs/dbraw/zinc/97/52/50/573975250.db2.gz DGHCXGUKIWKHJG-VIFPVBQESA-N 0 0 186.324 2.018 10 30 AEEERN CCC(C)(C)OCCC[C@@](C)(N)C#N 45324856 573975303 /nfs/dbraw/zinc/97/53/03/573975303.db2.gz IHJYKLMVGUDIQR-LLVKDONJSA-N 0 0 198.310 2.213 10 30 AEEERN CC1(C)COc2cc(CC#N)ccc21 238230000 573975318 /nfs/dbraw/zinc/97/53/18/573975318.db2.gz AEAIGIRNIMYCOW-UHFFFAOYSA-N 0 0 187.242 2.423 10 30 AEEERN CCCCCCOC[C@H](C#N)NCC 45323383 573975322 /nfs/dbraw/zinc/97/53/22/573975322.db2.gz YQNHAJDUDXSLNX-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CC1(C)O[C@H]1c1ccc2[nH]cnc2c1 259254489 573975668 /nfs/dbraw/zinc/97/56/68/573975668.db2.gz KYURQLFWBCBPSJ-JTQLQIEISA-N 0 0 188.230 2.413 10 30 AEEERN CCC[C@@H](C#CSCC)CO 238229717 573975771 /nfs/dbraw/zinc/97/57/71/573975771.db2.gz FJULSJRLAPLAST-VIFPVBQESA-N 0 0 172.293 2.109 10 30 AEEERN CCCCCC[C@@H](C)OC[C@@H](N)C#N 45323965 573975793 /nfs/dbraw/zinc/97/57/93/573975793.db2.gz FYOILYZFOPGBJZ-MNOVXSKESA-N 0 0 198.310 2.213 10 30 AEEERN CC(C)N[C@H](C#N)CSC(C)C 45366305 573975859 /nfs/dbraw/zinc/97/58/59/573975859.db2.gz DGHCXGUKIWKHJG-SECBINFHSA-N 0 0 186.324 2.018 10 30 AEEERN C=C1C(=O)C(C)(C)C1(C)C 238229290 573975878 /nfs/dbraw/zinc/97/58/78/573975878.db2.gz NQCMYOFYLGOLII-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C#CCCc1ccccc1)CO 198635178 573975906 /nfs/dbraw/zinc/97/59/06/573975906.db2.gz ORTLSKSRUDOAOS-UHFFFAOYSA-N 0 0 186.254 2.171 10 30 AEEERN CC#C[C@H](C)Oc1ccccc1 198629298 573975908 /nfs/dbraw/zinc/97/59/08/573975908.db2.gz QMYHBQAFSAUCCD-JTQLQIEISA-N 0 0 160.216 2.477 10 30 AEEERN CO[C@H](C#N)c1ccc(C)c(F)c1 85090905 573975914 /nfs/dbraw/zinc/97/59/14/573975914.db2.gz SDMJDPYHQFHPJW-SNVBAGLBSA-N 0 0 179.194 2.345 10 30 AEEERN CCO[C@]1(C#N)CCO[C@](C)(CC)C1 85090621 573975920 /nfs/dbraw/zinc/97/59/20/573975920.db2.gz VRAXMASAQQLRQI-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN CO[C@@H](C#N)c1ccccc1F 85091089 573975925 /nfs/dbraw/zinc/97/59/25/573975925.db2.gz RIEFTJOABHTCTF-VIFPVBQESA-N 0 0 165.167 2.037 10 30 AEEERN CCC[C@@](C)(C#N)OCC 85090514 573975935 /nfs/dbraw/zinc/97/59/35/573975935.db2.gz ZOMMTTFCXIKBRK-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CC[C@@H]1CC[C@](C#N)(OC)C1 85090789 573975944 /nfs/dbraw/zinc/97/59/44/573975944.db2.gz LWQAUACOJHWQPB-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@]1(C#N)CCC[C@H](C)C1 85090574 573975947 /nfs/dbraw/zinc/97/59/47/573975947.db2.gz NIHQHQSYKUDAFE-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H](C#N)c1ccc(F)cc1F 85091075 573975989 /nfs/dbraw/zinc/97/59/89/573975989.db2.gz HAGFDSWCSSURNR-SECBINFHSA-N 0 0 183.157 2.176 10 30 AEEERN CCCCCCOC[C@@H](C#N)NCC 45323380 573975992 /nfs/dbraw/zinc/97/59/92/573975992.db2.gz YQNHAJDUDXSLNX-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCCN[C@H](C#N)COC(C)(C)CC 45324834 573975996 /nfs/dbraw/zinc/97/59/96/573975996.db2.gz WGQIZXKIHKAZQU-SNVBAGLBSA-N 0 0 198.310 2.083 10 30 AEEERN CO[C@]1(C#N)CC[C@@H](C)C[C@H]1C 85090870 573976001 /nfs/dbraw/zinc/97/60/01/573976001.db2.gz SFZMENGABZPUGY-BBBLOLIVSA-N 0 0 167.252 2.351 10 30 AEEERN CCc1ccc([C@@H](C#N)OC)cc1 85091025 573976063 /nfs/dbraw/zinc/97/60/63/573976063.db2.gz NHMXTAFTAGRYGZ-LLVKDONJSA-N 0 0 175.231 2.460 10 30 AEEERN CO[C@](C)(C#N)C1CCCC1 85090860 573976068 /nfs/dbraw/zinc/97/60/68/573976068.db2.gz UJTUGIBEDGXECK-SECBINFHSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@H](C#N)c1ccc(F)c(C)c1 85090982 573976088 /nfs/dbraw/zinc/97/60/88/573976088.db2.gz QUUJKDGARHTMFE-JTQLQIEISA-N 0 0 179.194 2.345 10 30 AEEERN CCOC1(C#N)CCC(C)CC1 85090681 573976104 /nfs/dbraw/zinc/97/61/04/573976104.db2.gz IRPHDPXBZLKNAY-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN COC1(C#N)C[C@@H](C)C[C@H](C)C1 85091104 573976111 /nfs/dbraw/zinc/97/61/11/573976111.db2.gz AUZYCCJYDKCXIP-IUCAKERBSA-N 0 0 167.252 2.351 10 30 AEEERN CCO[C@](C)(C#N)[C@H](C)CC 85090465 573976125 /nfs/dbraw/zinc/97/61/25/573976125.db2.gz XZHASQVKLWJWCN-RKDXNWHRSA-N 0 0 155.241 2.351 10 30 AEEERN CCO[C@@H](C#N)C1CCCCC1 85090372 573976130 /nfs/dbraw/zinc/97/61/30/573976130.db2.gz RZWQUDJIFLRJKW-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H](C#N)c1ccc(F)c(C)c1 85090981 573976151 /nfs/dbraw/zinc/97/61/51/573976151.db2.gz QUUJKDGARHTMFE-SNVBAGLBSA-N 0 0 179.194 2.345 10 30 AEEERN CCO[C@H](C#N)C1CCCCC1 85090373 573976186 /nfs/dbraw/zinc/97/61/86/573976186.db2.gz RZWQUDJIFLRJKW-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CCN[C@@](C)(C#N)CCCSC 45366495 573976228 /nfs/dbraw/zinc/97/62/28/573976228.db2.gz GKLSHKXDRDWXJY-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CCO[C@@]1(C#N)CC[C@H](CC)C1 85090338 573976239 /nfs/dbraw/zinc/97/62/39/573976239.db2.gz SDGLXHFUKCXUOX-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CN[C@](C)(C#N)CCCOC(C)(C)C 45324431 573976279 /nfs/dbraw/zinc/97/62/79/573976279.db2.gz SKWCQRHSSFUZGH-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CO[C@H](C#N)C1CCCCCC1 85091007 573976294 /nfs/dbraw/zinc/97/62/94/573976294.db2.gz KOCAGLYVZKBEFM-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CCc1ccc([C@H](C#N)OC)cc1 85091026 573976304 /nfs/dbraw/zinc/97/63/04/573976304.db2.gz NHMXTAFTAGRYGZ-NSHDSACASA-N 0 0 175.231 2.460 10 30 AEEERN CC1=CC(=O)[C@@H]2[C@H]1CCC21CC1 238220445 573976312 /nfs/dbraw/zinc/97/63/12/573976312.db2.gz BKWHZKWDTUSART-WPRPVWTQSA-N 0 0 162.232 2.322 10 30 AEEERN CCCC#C[C@H](O)/C=C/c1ccco1 238221069 573976324 /nfs/dbraw/zinc/97/63/24/573976324.db2.gz RBPFRKYGBLBWJU-FBOQAHMBSA-N 0 0 190.242 2.457 10 30 AEEERN CO[C@](C)(C#N)C1CCCCC1 85090818 573976326 /nfs/dbraw/zinc/97/63/26/573976326.db2.gz QCIWJBLMCAKQIE-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CCCC#C[C@H]1CCCC[C@H]1O 238221263 573976329 /nfs/dbraw/zinc/97/63/29/573976329.db2.gz QEJRJYDNWRJAMT-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)(OC)C1 85090880 573978691 /nfs/dbraw/zinc/97/86/91/573978691.db2.gz UXIXRDLDKZHQRV-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CC1=CC(=O)C2=CC[C@@H]3C=C[C@@H]1[C@H]23 238220466 573978709 /nfs/dbraw/zinc/97/87/09/573978709.db2.gz OUEAXFJDTYVIGJ-QFOLPQNPSA-N 0 0 172.227 2.120 10 30 AEEERN CC(C)/[NH+]=C/c1ccc(O)cc1 110792592 573978721 /nfs/dbraw/zinc/97/87/21/573978721.db2.gz JELJMBCKOPAEOI-YRNVUSSQSA-N 0 0 163.220 2.220 10 30 AEEERN CC1=CC(=O)[C@@](C)(CCC=O)CC1 238220742 573978723 /nfs/dbraw/zinc/97/87/23/573978723.db2.gz DDYLTZJVNOFUTP-NSHDSACASA-N 0 0 180.247 2.281 10 30 AEEERN CC[C@H]1CC[C@](C#N)(OC)C1 85090790 573978732 /nfs/dbraw/zinc/97/87/32/573978732.db2.gz LWQAUACOJHWQPB-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN COC1(C#N)C[C@H](C)C[C@@H](C)C1 85091105 573978736 /nfs/dbraw/zinc/97/87/36/573978736.db2.gz AUZYCCJYDKCXIP-RKDXNWHRSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@]1(C#N)CCCc2sccc21 85091032 573977914 /nfs/dbraw/zinc/97/79/14/573977914.db2.gz QZKNMFAFIVSKQL-SNVBAGLBSA-N 0 0 193.271 2.450 10 30 AEEERN COc1ccc([C@@H](C#N)OC)cc1C 85090915 573977920 /nfs/dbraw/zinc/97/79/20/573977920.db2.gz SBFGAOCAHIYSLX-LLVKDONJSA-N 0 0 191.230 2.215 10 30 AEEERN CCO[C@@](C)(C#N)[C@@H](C)CC 85090468 573977925 /nfs/dbraw/zinc/97/79/25/573977925.db2.gz XZHASQVKLWJWCN-IUCAKERBSA-N 0 0 155.241 2.351 10 30 AEEERN CC[C@@H](C#N)CN(C)c1ccncc1 259030445 573977931 /nfs/dbraw/zinc/97/79/31/573977931.db2.gz QKDACBVJBAZDFD-JTQLQIEISA-N 0 0 189.262 2.068 10 30 AEEERN CO[C@@](C)(C#N)C1CCCC1 85090861 573977942 /nfs/dbraw/zinc/97/79/42/573977942.db2.gz UJTUGIBEDGXECK-VIFPVBQESA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@]1(C#N)CCCC(C)(C)C1 85090775 573977948 /nfs/dbraw/zinc/97/79/48/573977948.db2.gz LAEZFLZXMBIJGU-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@]1(C#N)CC[C@@H](CC)C1 85090335 573977961 /nfs/dbraw/zinc/97/79/61/573977961.db2.gz SDGLXHFUKCXUOX-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CCCC#C[C@H](O)c1ccccc1O 238221113 573977982 /nfs/dbraw/zinc/97/79/82/573977982.db2.gz KSUPGBFLXZWWJF-NSHDSACASA-N 0 0 190.242 2.229 10 30 AEEERN CCO[C@@](C)(C#N)CC(C)C 85090319 573978012 /nfs/dbraw/zinc/97/80/12/573978012.db2.gz RLXQFSRHOXOEPI-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN C=C=CC(=O)C(CC)CC 238221565 573978019 /nfs/dbraw/zinc/97/80/19/573978019.db2.gz PERHBSANNLPPJV-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN CO[C@]1(C#N)CC[C@H](C)C[C@H]1C 85090871 573978048 /nfs/dbraw/zinc/97/80/48/573978048.db2.gz SFZMENGABZPUGY-AEJSXWLSSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 85090838 573978074 /nfs/dbraw/zinc/97/80/74/573978074.db2.gz KLPVUIFYGIXERB-KXUCPTDWSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@H](C#N)c1ccc(C)cc1 85090957 573978089 /nfs/dbraw/zinc/97/80/89/573978089.db2.gz BBOUEKPTRVWLKX-JTQLQIEISA-N 0 0 161.204 2.206 10 30 AEEERN C=C[C@@]1(C)CC(C)=CC1=O 238220614 573978116 /nfs/dbraw/zinc/97/81/16/573978116.db2.gz ZTEKMJKGTOOLMP-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN CO[C@]1(C#N)CCCc2sccc21 85091031 573978126 /nfs/dbraw/zinc/97/81/26/573978126.db2.gz QZKNMFAFIVSKQL-JTQLQIEISA-N 0 0 193.271 2.450 10 30 AEEERN CO[C@@H](C#N)c1cc(F)ccc1F 85091167 573978134 /nfs/dbraw/zinc/97/81/34/573978134.db2.gz AXDXUYZONASHEC-VIFPVBQESA-N 0 0 183.157 2.176 10 30 AEEERN CCO[C@]1(C#N)CCO[C@@H](C(C)C)C1 85090554 573978141 /nfs/dbraw/zinc/97/81/41/573978141.db2.gz IPOZZSGHGZTKHR-GHMZBOCLSA-N 0 0 197.278 2.120 10 30 AEEERN CO[C@H](C#N)c1ccc(C)cc1 85090956 573978147 /nfs/dbraw/zinc/97/81/47/573978147.db2.gz BBOUEKPTRVWLKX-SNVBAGLBSA-N 0 0 161.204 2.206 10 30 AEEERN COC1(C#N)CCC(C)(C)CC1 85091049 573978160 /nfs/dbraw/zinc/97/81/60/573978160.db2.gz VESHLDJWGSURMH-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN CCCC#C[C@H](O)c1ccco1 238221118 573978161 /nfs/dbraw/zinc/97/81/61/573978161.db2.gz LKRCERULHPQNOX-VIFPVBQESA-N 0 0 164.204 2.117 10 30 AEEERN CCC[C@H]([NH+](C)C)C1(C#N)CC1 259255458 573978179 /nfs/dbraw/zinc/97/81/79/573978179.db2.gz BOIHXYWDWJYSHT-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN CO[C@]1(C#N)CC[C@H](C)[C@@H](C)C1 85090839 573978180 /nfs/dbraw/zinc/97/81/80/573978180.db2.gz KLPVUIFYGIXERB-LPEHRKFASA-N 0 0 167.252 2.351 10 30 AEEERN CCO[C@@]1(C#N)CCc2ccccc21 85090315 573978188 /nfs/dbraw/zinc/97/81/88/573978188.db2.gz PMUBAAVSIWMLRC-GFCCVEGCSA-N 0 0 187.242 2.388 10 30 AEEERN CCO[C@@](C)(C#N)CC(C)(C)OC 85090529 573978201 /nfs/dbraw/zinc/97/82/01/573978201.db2.gz BWMSLWMFUPYBPK-SNVBAGLBSA-N 0 0 185.267 2.120 10 30 AEEERN O=C[C@H](F)c1cccc(F)c1F 223765497 573978207 /nfs/dbraw/zinc/97/82/07/573978207.db2.gz MXNCXMVSQDMCEY-ZETCQYMHSA-N 0 0 174.121 2.174 10 30 AEEERN CCO[C@@H](C#N)c1ccccc1F 85090652 573978219 /nfs/dbraw/zinc/97/82/19/573978219.db2.gz YZCGNDGWHOSKKT-JTQLQIEISA-N 0 0 179.194 2.427 10 30 AEEERN CCO[C@@]1(C#N)CCO[C@](C)(CC)C1 85090619 573978242 /nfs/dbraw/zinc/97/82/42/573978242.db2.gz VRAXMASAQQLRQI-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN CCCC#Cc1c(CCC)c1=O 238221641 573978256 /nfs/dbraw/zinc/97/82/56/573978256.db2.gz XHETXVRIYPQDBO-UHFFFAOYSA-N 0 0 162.232 2.027 10 30 AEEERN CO[C@H](C#N)[C@@H](C)c1ccccc1 85090824 573978261 /nfs/dbraw/zinc/97/82/61/573978261.db2.gz IMKZKANHLHNZKJ-GXSJLCMTSA-N 0 0 175.231 2.329 10 30 AEEERN CO[C@@]1(C#N)CCc2ccccc2C1 85090761 573978268 /nfs/dbraw/zinc/97/82/68/573978268.db2.gz LXOCOYTYRVUOFZ-LBPRGKRZSA-N 0 0 187.242 2.084 10 30 AEEERN CC[C@H]1CCCC[C@@]1(C#N)OC 85090894 573978286 /nfs/dbraw/zinc/97/82/86/573978286.db2.gz HAJMVUDNWGFMDY-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@]1(C#N)CCCC[C@@H]1C 85090746 573978305 /nfs/dbraw/zinc/97/83/05/573978305.db2.gz SLOCWVMACJHSDX-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@H](C#N)C1CCCCC1 85090828 573978314 /nfs/dbraw/zinc/97/83/14/573978314.db2.gz LZNHCVKUWWGEGZ-VIFPVBQESA-N 0 0 153.225 2.105 10 30 AEEERN CCC1CCC(C#N)(OC)CC1 85090772 573978321 /nfs/dbraw/zinc/97/83/21/573978321.db2.gz VVQYYNFLFCLBFS-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@@H](C#N)c1cccc(F)c1 85090689 573978343 /nfs/dbraw/zinc/97/83/43/573978343.db2.gz DKBQPZBRHHQUMH-JTQLQIEISA-N 0 0 179.194 2.427 10 30 AEEERN CCOC1(C#N)Cc2ccccc2C1 85090693 573978365 /nfs/dbraw/zinc/97/83/65/573978365.db2.gz JWIOEMUQZGJXCN-UHFFFAOYSA-N 0 0 187.242 2.084 10 30 AEEERN CCO[C@@H](C#N)c1ccsc1 85090364 573978372 /nfs/dbraw/zinc/97/83/72/573978372.db2.gz GYYQAUDLZGBIJJ-QMMMGPOBSA-N 0 0 167.233 2.349 10 30 AEEERN CCO[C@@]1(C#N)CCO[C@@](C)(CC)C1 85090620 573978382 /nfs/dbraw/zinc/97/83/82/573978382.db2.gz VRAXMASAQQLRQI-QWRGUYRKSA-N 0 0 197.278 2.264 10 30 AEEERN C=C[C@@]1(C)CCC(C)=CC1=O 238220628 573978388 /nfs/dbraw/zinc/97/83/88/573978388.db2.gz KQADASYSKJNEEX-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CO[C@]1(C#N)CCC[C@@H](C)[C@H]1C 85091050 573978411 /nfs/dbraw/zinc/97/84/11/573978411.db2.gz WPJYHHDKTIYPCZ-BBBLOLIVSA-N 0 0 167.252 2.351 10 30 AEEERN CCO[C@@]1(C#N)CCC[C@H]1C 85090593 573978430 /nfs/dbraw/zinc/97/84/30/573978430.db2.gz CEKWALRMMVMMGC-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CCCC#C[C@H](O)C(C)(C)C 238220922 573978524 /nfs/dbraw/zinc/97/85/24/573978524.db2.gz CGOLTLAJLIIYJB-VIFPVBQESA-N 0 0 154.253 2.197 10 30 AEEERN CO[C@H](C#N)C1CCC(C)CC1 85091165 573978528 /nfs/dbraw/zinc/97/85/28/573978528.db2.gz ZFGNDJKKXBDQKP-UDNWOFFPSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@]1(C#N)CCCC[C@H]1C 85091190 573978543 /nfs/dbraw/zinc/97/85/43/573978543.db2.gz GEWZRJWEEIOZLR-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CC[C@H]1CCC[C@@](C#N)(OC)C1 85090879 573978550 /nfs/dbraw/zinc/97/85/50/573978550.db2.gz UXIXRDLDKZHQRV-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CCc1ccccc1[C@H](C#N)OC 85091147 573978559 /nfs/dbraw/zinc/97/85/59/573978559.db2.gz KBXXNCZZILKYSK-NSHDSACASA-N 0 0 175.231 2.460 10 30 AEEERN CCOC(C#N)(CC)CC 85090684 573978584 /nfs/dbraw/zinc/97/85/84/573978584.db2.gz AFKMJUYSDOLGCX-UHFFFAOYSA-N 0 0 141.214 2.105 10 30 AEEERN CCO[C@@]1(C#N)CCCC[C@H]1C 85090749 573978591 /nfs/dbraw/zinc/97/85/91/573978591.db2.gz SLOCWVMACJHSDX-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CC(C)[C@H](O)/C=N/c1ccccc1 238220427 573978622 /nfs/dbraw/zinc/97/86/22/573978622.db2.gz FBGSNIXWEYBMBW-OYGDSYQHSA-N 0 0 177.247 2.406 10 30 AEEERN CCO[C@](C#N)(CC)C(C)C 85090503 573978625 /nfs/dbraw/zinc/97/86/25/573978625.db2.gz BILRPWSGTVLIEQ-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CO[C@@H](C#N)[C@@H](C)c1ccccc1 85090826 573978633 /nfs/dbraw/zinc/97/86/33/573978633.db2.gz IMKZKANHLHNZKJ-ONGXEEELSA-N 0 0 175.231 2.329 10 30 AEEERN CC(C)/C=N/[C@H](O)c1ccccc1 238221577 573978642 /nfs/dbraw/zinc/97/86/42/573978642.db2.gz OGPIKULVPBQVHJ-OYGDSYQHSA-N 0 0 177.247 2.404 10 30 AEEERN CC[C@H]1CCCC[C@]1(C#N)OC 85090896 573978649 /nfs/dbraw/zinc/97/86/49/573978649.db2.gz HAJMVUDNWGFMDY-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H](C#N)c1c(F)cccc1F 85091137 573978665 /nfs/dbraw/zinc/97/86/65/573978665.db2.gz PKVPJVIQPYYPJI-MRVPVSSYSA-N 0 0 183.157 2.176 10 30 AEEERN C=C[C@](C)(CCC)[C@@H](C)O 238222803 573980388 /nfs/dbraw/zinc/98/03/88/573980388.db2.gz XOMSOWFJWCILHD-RKDXNWHRSA-N 0 0 142.242 2.360 10 30 AEEERN CC1(C)[C@H]2C=CC=CC(=O)[C@]21C 238224165 573979572 /nfs/dbraw/zinc/97/95/72/573979572.db2.gz BMZXIDJBSLERIZ-KCJUWKMLSA-N 0 0 162.232 2.344 10 30 AEEERN C#Cc1cc(Cl)ccc1[N+](=O)[O-] 104399717 573979646 /nfs/dbraw/zinc/97/96/46/573979646.db2.gz QDDXQSJTLWPMIJ-UHFFFAOYSA-N 0 0 181.578 2.230 10 30 AEEERN CC1(C)[C@@H](C=O)[C@H]1Oc1ccccc1 238223719 573979822 /nfs/dbraw/zinc/97/98/22/573979822.db2.gz ULMSDHWCHHITCI-WDEREUQCSA-N 0 0 190.242 2.289 10 30 AEEERN CC1(C)CC[C@@H](CCC=O)CC1=O 238223374 573980021 /nfs/dbraw/zinc/98/00/21/573980021.db2.gz JASRYMFCHBBCAB-SECBINFHSA-N 0 0 182.263 2.361 10 30 AEEERN CC(=O)CC[C@@H](S)C(C)C 238222573 573980059 /nfs/dbraw/zinc/98/00/59/573980059.db2.gz YPAQZUVOQHGRTM-MRVPVSSYSA-N 0 0 160.282 2.310 10 30 AEEERN C=C1C(=O)[C@H]2CC=C[C@@H]2C1(C)C 238224286 573980101 /nfs/dbraw/zinc/98/01/01/573980101.db2.gz SGVLNWGIVHWDDE-IUCAKERBSA-N 0 0 162.232 2.344 10 30 AEEERN C=C1CO[C@@H](CCCCC)O1 238222608 573980163 /nfs/dbraw/zinc/98/01/63/573980163.db2.gz WDRCRRGSUHPIOI-SECBINFHSA-N 0 0 156.225 2.453 10 30 AEEERN CCC1(CC)C=CC(=O)C1 238224052 573980177 /nfs/dbraw/zinc/98/01/77/573980177.db2.gz WGMFBQPFJIYROJ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CCCn1cc(C#N)c(C(C)C)n1 259257442 573983868 /nfs/dbraw/zinc/98/38/68/573983868.db2.gz AYIVBNLINVQSNI-UHFFFAOYSA-N 0 0 177.251 2.288 10 30 AEEERN C=C1[C@@H]2C(=O)CC[C@@H]2C1(C)C 238225079 573983929 /nfs/dbraw/zinc/98/39/29/573983929.db2.gz CDGTYVBPEGYZPY-CBAPKCEASA-N 0 0 150.221 2.178 10 30 AEEERN CC1(C)CC[C@@](C)(C=O)[C@H]1CC=O 238224929 573984010 /nfs/dbraw/zinc/98/40/10/573984010.db2.gz CXAVNAIVAFNKFM-ONGXEEELSA-N 0 0 182.263 2.217 10 30 AEEERN C=C[C@@H](O)[C@H]1CCc2ccccc2C1 223708199 573983275 /nfs/dbraw/zinc/98/32/75/573983275.db2.gz IBKMRJMXAMHILU-QWHCGFSZSA-N 0 0 188.270 2.338 10 30 AEEERN C=C1C(C)=CC(=O)[C@@H]1C(C)C 238224680 573983544 /nfs/dbraw/zinc/98/35/44/573983544.db2.gz JQDHQLDFNGEJRE-SNVBAGLBSA-N 0 0 150.221 2.344 10 30 AEEERN CCCc1nc(C)c(CC#N)o1 238225826 573983548 /nfs/dbraw/zinc/98/35/48/573983548.db2.gz ZJNBZFGTZLCDIP-UHFFFAOYSA-N 0 0 164.208 2.002 10 30 AEEERN CNc1cccc(CS)c1 82044737 573983549 /nfs/dbraw/zinc/98/35/49/573983549.db2.gz CNUIFVUQWIBLGT-UHFFFAOYSA-N 0 0 153.250 2.158 10 30 AEEERN CC1(C)CC[C@@](C)(C=O)[C@@H]1CC=O 238224917 573983582 /nfs/dbraw/zinc/98/35/82/573983582.db2.gz CXAVNAIVAFNKFM-KOLCDFICSA-N 0 0 182.263 2.217 10 30 AEEERN CC1(C)COc2ccc(CC#N)cc21 238230210 573986581 /nfs/dbraw/zinc/98/65/81/573986581.db2.gz JAZOQADYERMPRR-UHFFFAOYSA-N 0 0 187.242 2.423 10 30 AEEERN C[C@H]1CC[C@@]1(C#N)c1cccnc1 87617387 573986601 /nfs/dbraw/zinc/98/66/01/573986601.db2.gz YQBDDKYRMGNQBF-ONGXEEELSA-N 0 0 172.231 2.273 10 30 AEEERN CCCC(=O)C(C)(C)CC#N 238224828 573985946 /nfs/dbraw/zinc/98/59/46/573985946.db2.gz FYYOYYBQRQBHCL-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN CC1(C)[C@H]2CCC[C@]21CC=O 238225618 573986077 /nfs/dbraw/zinc/98/60/77/573986077.db2.gz MVVWIULYQQVAOE-SCZZXKLOSA-N 0 0 152.237 2.402 10 30 AEEERN C=C(CO)Cc1ccccc1C 258195437 573986174 /nfs/dbraw/zinc/98/61/74/573986174.db2.gz MZTUGYJBLGKJCU-UHFFFAOYSA-N 0 0 162.232 2.086 10 30 AEEERN CCC(CC)[C@H](C)C=O 82094854 573986182 /nfs/dbraw/zinc/98/61/82/573986182.db2.gz UEGZUVXDLQYGOW-SSDOTTSWSA-N 0 0 128.215 2.258 10 30 AEEERN CCC[C@H](C)C[C@@H]1CO1 82101560 573986185 /nfs/dbraw/zinc/98/61/85/573986185.db2.gz ILRVDGBLAUXESJ-JGVFFNPUSA-N 0 0 128.215 2.212 10 30 AEEERN CCC[C@@H](C)C[C@H]1CO1 82101561 573986215 /nfs/dbraw/zinc/98/62/15/573986215.db2.gz ILRVDGBLAUXESJ-SFYZADRCSA-N 0 0 128.215 2.212 10 30 AEEERN CC1CC(C#N)(c2ccccn2)C1 87617243 573986262 /nfs/dbraw/zinc/98/62/62/573986262.db2.gz ABGCGNJQEIFKTH-UHFFFAOYSA-N 0 0 172.231 2.273 10 30 AEEERN CC1=CC=CC(=O)CCC1 238226461 573986266 /nfs/dbraw/zinc/98/62/66/573986266.db2.gz UFKORCIQQCBQAW-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN FC(F)(F)C(F)(F)CS 82095437 573986289 /nfs/dbraw/zinc/98/62/89/573986289.db2.gz OBGPHCHCMZFIGX-UHFFFAOYSA-N 0 0 166.114 2.114 10 30 AEEERN CN1CCc2ccccc2[C@@H]1S 259259047 573986318 /nfs/dbraw/zinc/98/63/18/573986318.db2.gz APTLCWVETXWEQC-JTQLQIEISA-N 0 0 179.288 2.103 10 30 AEEERN O=CCCc1cc(Cl)ccc1O 82060013 573986367 /nfs/dbraw/zinc/98/63/67/573986367.db2.gz GBGUZZUDSFSKCD-UHFFFAOYSA-N 0 0 184.622 2.177 10 30 AEEERN CC1=CC=C(C)C(C)(C)C1=O 238226125 573986454 /nfs/dbraw/zinc/98/64/54/573986454.db2.gz YUDWUSYVTLEONC-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)[C@@H](C=O)C(C)C 238225885 573986519 /nfs/dbraw/zinc/98/65/19/573986519.db2.gz BVTFTCYXEVIWAQ-MRVPVSSYSA-N 0 0 126.199 2.034 10 30 AEEERN CC/C=N/N=c1/cccccc1NC 238226070 573987033 /nfs/dbraw/zinc/98/70/33/573987033.db2.gz GVBDEGMVJVOXND-UKTHLTGXSA-N 0 0 189.262 2.025 10 30 AEEERN C=Nc1cccc(OC)c1 104458163 573987143 /nfs/dbraw/zinc/98/71/43/573987143.db2.gz APJBEOPCBIFXHU-UHFFFAOYSA-N 0 0 135.166 2.027 10 30 AEEERN N#CC1(c2ccccn2)CC2(CC2)C1 87617277 573987279 /nfs/dbraw/zinc/98/72/79/573987279.db2.gz CHHGMBNNBBRUHN-UHFFFAOYSA-N 0 0 184.242 2.417 10 30 AEEERN C=Nc1c(C)cccc1OC 104458493 573987427 /nfs/dbraw/zinc/98/74/27/573987427.db2.gz STZMIDSOIIQHBX-UHFFFAOYSA-N 0 0 149.193 2.336 10 30 AEEERN CC(C)[C@H]1CC(=O)C=CS1 238226006 573987484 /nfs/dbraw/zinc/98/74/84/573987484.db2.gz HPWHPBZGFGQVNT-MRVPVSSYSA-N 0 0 156.250 2.231 10 30 AEEERN C[C@@H]1CC[C@]1(C#N)c1ccccn1 87617269 573987489 /nfs/dbraw/zinc/98/74/89/573987489.db2.gz FNYNPGGHDRLTKM-MWLCHTKSSA-N 0 0 172.231 2.273 10 30 AEEERN CCCC(O)=C(Br)C=O 238226185 573987521 /nfs/dbraw/zinc/98/75/21/573987521.db2.gz HQIHAOUNUAUGSA-PLNGDYQASA-N 0 0 193.040 2.150 10 30 AEEERN CC1(C)CC[C@H](CCC=O)CC1=O 238226198 573987593 /nfs/dbraw/zinc/98/75/93/573987593.db2.gz JASRYMFCHBBCAB-VIFPVBQESA-N 0 0 182.263 2.361 10 30 AEEERN CC1(C)C2=C(CCCC2)[C@H](O)[C@H]1C#N 238230348 573987600 /nfs/dbraw/zinc/98/76/00/573987600.db2.gz LMHMSTVLZCBRRQ-MNOVXSKESA-N 0 0 191.274 2.397 10 30 AEEERN Cc1cc2c(c(Cl)c1C#N)OCO2 258196442 573989534 /nfs/dbraw/zinc/98/95/34/573989534.db2.gz XWVALLXXRQRXDP-UHFFFAOYSA-N 0 0 195.605 2.249 10 30 AEEERN C=Nc1ccc(OCC)cc1 104458157 573989699 /nfs/dbraw/zinc/98/96/99/573989699.db2.gz OPXMQOBEPISHKX-UHFFFAOYSA-N 0 0 149.193 2.417 10 30 AEEERN FC1(F)CCCN(CCCS)C1 259259122 573989358 /nfs/dbraw/zinc/98/93/58/573989358.db2.gz AQEWMQKTCVVHLD-UHFFFAOYSA-N 0 0 195.278 2.037 10 30 AEEERN C=Nc1ccc(OC)cc1OC 104458514 573989370 /nfs/dbraw/zinc/98/93/70/573989370.db2.gz VQNBFIKXEZCCAT-UHFFFAOYSA-N 0 0 165.192 2.036 10 30 AEEERN Cc1cc(C)c(C(C)(C)O)cc1C#N 258196410 573989475 /nfs/dbraw/zinc/98/94/75/573989475.db2.gz XVSHPAYKLBIQSH-UHFFFAOYSA-N 0 0 189.258 2.403 10 30 AEEERN CSCCCCCC=O 82131709 573990149 /nfs/dbraw/zinc/99/01/49/573990149.db2.gz QMJCETNNCZBLGE-UHFFFAOYSA-N 0 0 146.255 2.109 10 30 AEEERN CC1=CCCC[C@H]1CC=O 238230825 573990202 /nfs/dbraw/zinc/99/02/02/573990202.db2.gz NMHVGVJGNCKATP-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CCC[C@](C)(O)[C@H](C#N)CC 87650011 573990253 /nfs/dbraw/zinc/99/02/53/573990253.db2.gz DAZLMHKFDXCTDM-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN CCc1ncc(C#N)n1-c1ccccc1 259260293 573990323 /nfs/dbraw/zinc/99/03/23/573990323.db2.gz FNABCLOFKAVDGR-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CC1CC(C#N)(c2ccncc2)C1 87618225 573990386 /nfs/dbraw/zinc/99/03/86/573990386.db2.gz NXMHSVYHAZYGPJ-UHFFFAOYSA-N 0 0 172.231 2.273 10 30 AEEERN C[C@@H]1CC[C@@]1(C#N)c1ccncc1 87618253 573990407 /nfs/dbraw/zinc/99/04/07/573990407.db2.gz HLSJJSJRJFQNRH-KOLCDFICSA-N 0 0 172.231 2.273 10 30 AEEERN CCC[C@](C)(O)C1(C#N)CCC1 87650019 573990455 /nfs/dbraw/zinc/99/04/55/573990455.db2.gz IMVRLMKKFNSJGB-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN O=C[C@H](F)c1cccc(F)c1 104468036 573990528 /nfs/dbraw/zinc/99/05/28/573990528.db2.gz HUTOXSFSRHNCML-QMMMGPOBSA-N 0 0 156.131 2.035 10 30 AEEERN O=C[C@H](F)c1ccccc1F 104468026 573990558 /nfs/dbraw/zinc/99/05/58/573990558.db2.gz HMUFVJJPEAGOKA-QMMMGPOBSA-N 0 0 156.131 2.035 10 30 AEEERN O=C[C@H](F)Cc1cccc(F)c1F 104463375 573990588 /nfs/dbraw/zinc/99/05/88/573990588.db2.gz LYCBRTXECLUUDD-SSDOTTSWSA-N 0 0 188.148 2.044 10 30 AEEERN O=C[C@H](F)C1CCCCC1 104466840 573990759 /nfs/dbraw/zinc/99/07/59/573990759.db2.gz ODIUBOAOVNDAMC-QMMMGPOBSA-N 0 0 144.189 2.104 10 30 AEEERN C=CCCC(=O)C[C@H]1CCCCO1 128010843 573990762 /nfs/dbraw/zinc/99/07/62/573990762.db2.gz YIZMZTUROIMALG-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN O=C[C@H](F)Cc1ccccc1Cl 104463355 573990785 /nfs/dbraw/zinc/99/07/85/573990785.db2.gz VEWPMNGARPRYAG-MRVPVSSYSA-N 0 0 186.613 2.420 10 30 AEEERN C=CCC(=O)C[C@H]1CCCCO1 128014927 573990814 /nfs/dbraw/zinc/99/08/14/573990814.db2.gz KBNGVYHXFULWHC-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1ccccc1[C@H](F)C=O 104467348 573992456 /nfs/dbraw/zinc/99/24/56/573992456.db2.gz BLXHTSKRCCADAI-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN O=C[C@@H](F)c1ccc(F)cc1 104468039 573992480 /nfs/dbraw/zinc/99/24/80/573992480.db2.gz GPYNVTRIIQLRNY-MRVPVSSYSA-N 0 0 156.131 2.035 10 30 AEEERN O=C[C@@H](F)Cc1ccccc1Cl 104463351 573993208 /nfs/dbraw/zinc/99/32/08/573993208.db2.gz VEWPMNGARPRYAG-QMMMGPOBSA-N 0 0 186.613 2.420 10 30 AEEERN O=C[C@H](F)Cc1c(F)cccc1F 104463730 573992542 /nfs/dbraw/zinc/99/25/42/573992542.db2.gz NPHGNICOEUZONB-ZCFIWIBFSA-N 0 0 188.148 2.044 10 30 AEEERN CC1(C)[C@H]2CC=C([C@@H]3CO3)[C@@H]1C2 238232867 573993230 /nfs/dbraw/zinc/99/32/30/573993230.db2.gz SGSCQNLCCPMGQT-HGNGGELXSA-N 0 0 164.248 2.378 10 30 AEEERN O=C[C@@H](F)Cc1ccc(Cl)cc1 104463366 573992635 /nfs/dbraw/zinc/99/26/35/573992635.db2.gz CMFDVFDNQWILBD-VIFPVBQESA-N 0 0 186.613 2.420 10 30 AEEERN C[C@@H]1CC[C@]1(C#N)c1ccncc1 87618257 573992650 /nfs/dbraw/zinc/99/26/50/573992650.db2.gz HLSJJSJRJFQNRH-MWLCHTKSSA-N 0 0 172.231 2.273 10 30 AEEERN O=C[C@@H](F)Cc1cccc(Cl)c1 104463359 573992679 /nfs/dbraw/zinc/99/26/79/573992679.db2.gz CVYVEHSLGLKHFE-VIFPVBQESA-N 0 0 186.613 2.420 10 30 AEEERN CCC[C@@](C)(O)C1(C#N)CCC1 87650020 573992712 /nfs/dbraw/zinc/99/27/12/573992712.db2.gz IMVRLMKKFNSJGB-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN O=C[C@@H](F)Cc1c(F)cccc1F 104463728 573992738 /nfs/dbraw/zinc/99/27/38/573992738.db2.gz NPHGNICOEUZONB-LURJTMIESA-N 0 0 188.148 2.044 10 30 AEEERN CC1(C)C(CC#N)=CC[C@H]1CC=O 238233900 573992811 /nfs/dbraw/zinc/99/28/11/573992811.db2.gz YRKMFNWJUVRERO-JTQLQIEISA-N 0 0 177.247 2.462 10 30 AEEERN O=C[C@@H](F)c1ccccc1F 104468022 573992832 /nfs/dbraw/zinc/99/28/32/573992832.db2.gz HMUFVJJPEAGOKA-MRVPVSSYSA-N 0 0 156.131 2.035 10 30 AEEERN C#Cc1ccc(C(C)C)c(N)c1 238233839 573992866 /nfs/dbraw/zinc/99/28/66/573992866.db2.gz VCUHAAHWVQSFPX-UHFFFAOYSA-N 0 0 159.232 2.374 10 30 AEEERN O=C[C@H](F)Cc1cc(F)ccc1F 104463724 573992868 /nfs/dbraw/zinc/99/28/68/573992868.db2.gz DZDUEUJTPQAAEB-MRVPVSSYSA-N 0 0 188.148 2.044 10 30 AEEERN CCC[C@](C)(O)[C@@H](C#N)CC 87650013 573992939 /nfs/dbraw/zinc/99/29/39/573992939.db2.gz DAZLMHKFDXCTDM-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN O=C[C@H](F)c1ccc(F)cc1 104468044 573993011 /nfs/dbraw/zinc/99/30/11/573993011.db2.gz GPYNVTRIIQLRNY-QMMMGPOBSA-N 0 0 156.131 2.035 10 30 AEEERN Cc1c(CC#N)c2ccccn2c1C#N 259590850 573993032 /nfs/dbraw/zinc/99/30/32/573993032.db2.gz FPNRXGJXRQKUKU-UHFFFAOYSA-N 0 0 195.225 2.185 10 30 AEEERN O=C[C@H](F)Cc1ccc(F)cc1F 104463382 573993119 /nfs/dbraw/zinc/99/31/19/573993119.db2.gz YCXKHOPQLVTOFC-MRVPVSSYSA-N 0 0 188.148 2.044 10 30 AEEERN CC#C[C@H]1C=CC[C@@H]1C(=O)CC 238233284 573993129 /nfs/dbraw/zinc/99/31/29/573993129.db2.gz IISHZQUSFTUKCS-UWVGGRQHSA-N 0 0 162.232 2.181 10 30 AEEERN CC[C@@H](C#N)NC[C@H]1CC=CCC1 45629531 573994033 /nfs/dbraw/zinc/99/40/33/573994033.db2.gz XSQGNYQFEUNKBP-QWRGUYRKSA-N 0 0 178.279 2.234 10 30 AEEERN CC#C[C@@H]1C=CC[C@@H]1C(=O)CC 238233300 573993429 /nfs/dbraw/zinc/99/34/29/573993429.db2.gz IISHZQUSFTUKCS-ZJUUUORDSA-N 0 0 162.232 2.181 10 30 AEEERN Cc1ccc([C@H](F)C=O)cc1 104467340 573993458 /nfs/dbraw/zinc/99/34/58/573993458.db2.gz GONZDOQZIAIWBR-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN N#Cc1cc2cc(N)c(F)cc2s1 259311234 573993531 /nfs/dbraw/zinc/99/35/31/573993531.db2.gz CLHFNXGCWOUPBY-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC1(C)C[C@@H]2C=CC(=O)[C@@H]2C1 238234054 573993611 /nfs/dbraw/zinc/99/36/11/573993611.db2.gz YEPVCZSUVSKIRZ-JGVFFNPUSA-N 0 0 150.221 2.178 10 30 AEEERN CCCCC[C@H](F)C=O 104466818 573993699 /nfs/dbraw/zinc/99/36/99/573993699.db2.gz NLUYELGXACNDKZ-ZETCQYMHSA-N 0 0 132.178 2.104 10 30 AEEERN O=C[C@H](F)Cc1ccc(F)c(F)c1 104463734 573993752 /nfs/dbraw/zinc/99/37/52/573993752.db2.gz YIOILMGKWKONGU-SSDOTTSWSA-N 0 0 188.148 2.044 10 30 AEEERN Cc1cccc([C@@H](F)C=O)c1 104467360 573993767 /nfs/dbraw/zinc/99/37/67/573993767.db2.gz RGBYHNSIDLJZTD-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN N#CCn1cnc(-c2ccccc2)c1 104469125 573995270 /nfs/dbraw/zinc/99/52/70/573995270.db2.gz INSUOBTXFMTQFQ-UHFFFAOYSA-N 0 0 183.214 2.074 10 30 AEEERN C[C@H](c1ccccc1)[C@@H](F)C=O 104468677 573994563 /nfs/dbraw/zinc/99/45/63/573994563.db2.gz YVJOGTRWYHBXEI-SCZZXKLOSA-N 0 0 166.195 2.327 10 30 AEEERN CC1(C)C[C@@H]2CCC[C@]21C=O 238234985 573994633 /nfs/dbraw/zinc/99/46/33/573994633.db2.gz RTARYTYUIWNRDM-WPRPVWTQSA-N 0 0 152.237 2.402 10 30 AEEERN CC[C@H](C#N)NC[C@H]1CC=CCC1 45629532 573994705 /nfs/dbraw/zinc/99/47/05/573994705.db2.gz XSQGNYQFEUNKBP-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN CC1(C)C[C@@H]2C(=O)C=C[C@H]2C1 238234072 573994742 /nfs/dbraw/zinc/99/47/42/573994742.db2.gz YEPVCZSUVSKIRZ-YUMQZZPRSA-N 0 0 150.221 2.178 10 30 AEEERN N#CCOCCCc1ccccc1 45627699 573994743 /nfs/dbraw/zinc/99/47/43/573994743.db2.gz MWVYMYIKOLHSSZ-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN CC(C)(CO)c1cccc(CC#N)c1 259263724 573994802 /nfs/dbraw/zinc/99/48/02/573994802.db2.gz BHKDXSLBNICCMU-UHFFFAOYSA-N 0 0 189.258 2.023 10 30 AEEERN Cc1c(F)cc(F)cc1[C@@H](N)CC#N 104474899 573994839 /nfs/dbraw/zinc/99/48/39/573994839.db2.gz DRTYPPMURFFWHH-JTQLQIEISA-N 0 0 196.200 2.187 10 30 AEEERN CC[C@H](C#N)NC[C@@H]1CC=CCC1 45629534 573994843 /nfs/dbraw/zinc/99/48/43/573994843.db2.gz XSQGNYQFEUNKBP-GHMZBOCLSA-N 0 0 178.279 2.234 10 30 AEEERN CC1=CC(=O)[C@@]23C=CC[C@@H](C2)[C@@H]3C1 238234742 573994899 /nfs/dbraw/zinc/99/48/99/573994899.db2.gz UKJCLNALKPKFCZ-NHCYSSNCSA-N 0 0 174.243 2.488 10 30 AEEERN Cc1ccc(C[C@H](F)C=O)cc1 104468705 573994912 /nfs/dbraw/zinc/99/49/12/573994912.db2.gz CVFPGSFHMSWTJO-JTQLQIEISA-N 0 0 166.195 2.075 10 30 AEEERN CCC1=C(C)C(=O)C[C@H](C)O1 238235588 573994982 /nfs/dbraw/zinc/99/49/82/573994982.db2.gz VGGJEEJAZXWVKM-LURJTMIESA-N 0 0 154.209 2.048 10 30 AEEERN CC1(C)CC(=O)C(=O)C1(C)C 238235093 573995013 /nfs/dbraw/zinc/99/50/13/573995013.db2.gz OZHHCCLEGQQKSP-UHFFFAOYSA-N 0 0 154.209 2.063 10 30 AEEERN O=C[C@@H](F)c1cc(F)ccc1F 104471599 573995063 /nfs/dbraw/zinc/99/50/63/573995063.db2.gz FCGCKSHBCMAVOM-MRVPVSSYSA-N 0 0 174.121 2.174 10 30 AEEERN Cc1cccc(C[C@H](F)C=O)c1 104469416 573995130 /nfs/dbraw/zinc/99/51/30/573995130.db2.gz NIZQNIRWLKRSQY-JTQLQIEISA-N 0 0 166.195 2.075 10 30 AEEERN CCCCC(N)=C1CCCC1=O 238234142 573995134 /nfs/dbraw/zinc/99/51/34/573995134.db2.gz MANAJMPZGIZHDZ-CMDGGOBGSA-N 0 0 167.252 2.142 10 30 AEEERN C[C@@H](c1ccccc1)[C@H](F)C=O 104468669 573997647 /nfs/dbraw/zinc/99/76/47/573997647.db2.gz YVJOGTRWYHBXEI-WCBMZHEXSA-N 0 0 166.195 2.327 10 30 AEEERN C=C(Cl)[C@@H](O)CSCCC 238236326 573997920 /nfs/dbraw/zinc/99/79/20/573997920.db2.gz GWIRLIFTAXFSFX-ZETCQYMHSA-N 0 0 180.700 2.243 10 30 AEEERN CCCOC1=C(C)C(=O)CC1 238235922 573997934 /nfs/dbraw/zinc/99/79/34/573997934.db2.gz WQEDVAWFBDJBGM-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN C[C@@H]1C[C@]1(C#N)C(F)(F)F 259591189 573998016 /nfs/dbraw/zinc/99/80/16/573998016.db2.gz LHQRSFFXSXCPCM-RFZPGFLSSA-N 0 0 149.115 2.098 10 30 AEEERN C=C1C[C@@H](O)C(C)(C)C1(C)C 238236549 573998020 /nfs/dbraw/zinc/99/80/20/573998020.db2.gz IGPWQHKSRKKOBH-MRVPVSSYSA-N 0 0 154.253 2.360 10 30 AEEERN CN(C)c1cc(F)c(F)cc1CC#N 259263973 573998028 /nfs/dbraw/zinc/99/80/28/573998028.db2.gz BKOKZFHZFWPGIR-UHFFFAOYSA-N 0 0 196.200 2.097 10 30 AEEERN CCc1c(C)oc(C)cc1=O 238236312 573998138 /nfs/dbraw/zinc/99/81/38/573998138.db2.gz POSQNMSRCZOIFJ-UHFFFAOYSA-N 0 0 152.193 2.174 10 30 AEEERN C[C@H]1C[C@@]1(C#N)C(F)(F)F 259591195 573998178 /nfs/dbraw/zinc/99/81/78/573998178.db2.gz LHQRSFFXSXCPCM-WHFBIAKZSA-N 0 0 149.115 2.098 10 30 AEEERN CC(C)(C#N)c1ccc2c(c1)CCN2 259265106 574000943 /nfs/dbraw/zinc/00/09/43/574000943.db2.gz RPHXGFXDHLFTCS-UHFFFAOYSA-N 0 0 186.258 2.456 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)C(F)(F)F 259591192 574000345 /nfs/dbraw/zinc/00/03/45/574000345.db2.gz LHQRSFFXSXCPCM-UHNVWZDZSA-N 0 0 149.115 2.098 10 30 AEEERN COc1c(C)cc(C)cc1[C@@H](N)S 259266630 574000446 /nfs/dbraw/zinc/00/04/46/574000446.db2.gz GZWIUXQUBWEOLL-JTQLQIEISA-N 0 0 197.303 2.199 10 30 AEEERN N#Cc1cc(-c2ccncc2)ccc1O 47216569 574000531 /nfs/dbraw/zinc/00/05/31/574000531.db2.gz VDYNVIDKAMDYDU-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C[C@H]1Cc2cc(CCC=O)ccc2O1 258198761 574000558 /nfs/dbraw/zinc/00/05/58/574000558.db2.gz YCIGHIJYLCXAAO-VIFPVBQESA-N 0 0 190.242 2.142 10 30 AEEERN C#C/C(C)=C\[C@@H](O)CCCC 238236769 574000635 /nfs/dbraw/zinc/00/06/35/574000635.db2.gz JTVPMGVMPJLTPF-QROTZFDESA-N 0 0 152.237 2.117 10 30 AEEERN O/N=C(/Cl)c1ccsc1 104479983 574000662 /nfs/dbraw/zinc/00/06/62/574000662.db2.gz CJCWWHJXHUFRIM-FNORWQNLSA-N 0 0 161.613 2.123 10 30 AEEERN CC1(C)C[C@@H](C=O)C1(C)C 238237149 574000663 /nfs/dbraw/zinc/00/06/63/574000663.db2.gz BKPWFRVDHAJVHM-ZETCQYMHSA-N 0 0 140.226 2.258 10 30 AEEERN CCC1CC[C@H](C)C(=O)C1=O 238238617 574002426 /nfs/dbraw/zinc/00/24/26/574002426.db2.gz YRTCKMGPRXOZLB-LURJTMIESA-N 0 0 154.209 2.208 10 30 AEEERN Cc1coc2ccc(CC=O)cc12 258198143 574002438 /nfs/dbraw/zinc/00/24/38/574002438.db2.gz ULJYNPRSPLOFFP-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C=CC[C@@H]1CC=C(C)C(=O)C1 238237309 574002452 /nfs/dbraw/zinc/00/24/52/574002452.db2.gz CPZHATRQXPATIF-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CCC1CCCCC(=O)C1=O 238238544 574002486 /nfs/dbraw/zinc/00/24/86/574002486.db2.gz YKSBFQXKAWKLIF-UHFFFAOYSA-N 0 0 154.209 2.352 10 30 AEEERN CCC1C(=O)C(=O)C(C)(C)[C@@H]1C 238238515 574002583 /nfs/dbraw/zinc/00/25/83/574002583.db2.gz LOEDLGQHYNZZIL-ZCFIWIBFSA-N 0 0 168.236 2.454 10 30 AEEERN CCC1CC(C)(C)C(=O)C1=O 238238496 574002700 /nfs/dbraw/zinc/00/27/00/574002700.db2.gz RBGDWKHYYUXUON-UHFFFAOYSA-N 0 0 154.209 2.208 10 30 AEEERN C=C[C@@H](O)[C@@H]1CC=C(C)CC1 238238415 574002910 /nfs/dbraw/zinc/00/29/10/574002910.db2.gz YCDHEQIKKXZOJM-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@](C)(CO)SCCC 238237868 574002981 /nfs/dbraw/zinc/00/29/81/574002981.db2.gz CFUKRDLOKCSOOC-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN CC1(C)[C@H]2CC=C([C@@H](O)CC#N)[C@@H]1C2 238239036 574003762 /nfs/dbraw/zinc/00/37/62/574003762.db2.gz YQUGQMUESXWTOK-LSJOCFKGSA-N 0 0 191.274 2.253 10 30 AEEERN C#Cc1cnc2[nH]c(CC)cc2c1 209771155 574003799 /nfs/dbraw/zinc/00/37/99/574003799.db2.gz MSVKMNMIQWHGFI-UHFFFAOYSA-N 0 0 170.215 2.107 10 30 AEEERN Cc1ccnc(N=[N+]=[N-])c1[N+](=O)[O-] 87667243 574003910 /nfs/dbraw/zinc/00/39/10/574003910.db2.gz ZSNFSZUDVVLOIG-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN CC1=CC[C@@H](O)C[C@H]1C(C)(C)C#N 238238016 574004003 /nfs/dbraw/zinc/00/40/03/574004003.db2.gz CGDGRULDESCCGK-NXEZZACHSA-N 0 0 179.263 2.253 10 30 AEEERN CCC1CC[C@@H](C)C(=O)C1=O 238238635 574004006 /nfs/dbraw/zinc/00/40/06/574004006.db2.gz YRTCKMGPRXOZLB-ZCFIWIBFSA-N 0 0 154.209 2.208 10 30 AEEERN C=CCc1cc(O)c(OC)c(OC)c1 14680124 574004015 /nfs/dbraw/zinc/00/40/15/574004015.db2.gz WIGZLFBLFZYGEE-UHFFFAOYSA-N 0 0 194.230 2.138 10 30 AEEERN C=CC(=O)C1C(CC)=C1CC 238237689 574004043 /nfs/dbraw/zinc/00/40/43/574004043.db2.gz HGZKJHQIKNXQJP-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CCCCC1=C(C)CC(=O)C1=O 238238880 574004054 /nfs/dbraw/zinc/00/40/54/574004054.db2.gz OTDNXWQUUARHPK-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN C#Cc1cccc(CCC)n1 209772676 574004176 /nfs/dbraw/zinc/00/41/76/574004176.db2.gz OAXONGVHCDNVHF-UHFFFAOYSA-N 0 0 145.205 2.015 10 30 AEEERN CCC1C(=O)C(=O)CC[C@H]1C 238238570 574004186 /nfs/dbraw/zinc/00/41/86/574004186.db2.gz HXPOTTHQVIDCMV-ZCFIWIBFSA-N 0 0 154.209 2.208 10 30 AEEERN CCC1C(=O)C(=O)C(C)(C)[C@H]1C 238238526 574004234 /nfs/dbraw/zinc/00/42/34/574004234.db2.gz LOEDLGQHYNZZIL-LURJTMIESA-N 0 0 168.236 2.454 10 30 AEEERN C#Cc1ccc(CCC)cn1 209772808 574004235 /nfs/dbraw/zinc/00/42/35/574004235.db2.gz SRVBDTYKWFDZJA-UHFFFAOYSA-N 0 0 145.205 2.015 10 30 AEEERN CCCCC1=C(C)C(=O)CC1=O 238238760 574004265 /nfs/dbraw/zinc/00/42/65/574004265.db2.gz DVYQPXBDSGXNHQ-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN Cc1csc(N=[N+]=[N-])n1 87667285 574004369 /nfs/dbraw/zinc/00/43/69/574004369.db2.gz CGCNAHWBROYWJB-UHFFFAOYSA-N 0 0 140.171 2.393 10 30 AEEERN C/C(Cl)=C\C(=O)C(C)C 223736867 574004422 /nfs/dbraw/zinc/00/44/22/574004422.db2.gz SQOGHLQUFZPDAZ-GQCTYLIASA-N 0 0 146.617 2.354 10 30 AEEERN C#Cc1cc(CC)nc(CC)c1 209770209 574004729 /nfs/dbraw/zinc/00/47/29/574004729.db2.gz AQBSUEFEIMGEPE-UHFFFAOYSA-N 0 0 159.232 2.188 10 30 AEEERN C#Cc1ccnc(CCC)c1 209772937 574004748 /nfs/dbraw/zinc/00/47/48/574004748.db2.gz YOSFHHOUGHPCDZ-UHFFFAOYSA-N 0 0 145.205 2.015 10 30 AEEERN CC1=C(C)C(=O)C2(CCC2)C1 238245469 574004756 /nfs/dbraw/zinc/00/47/56/574004756.db2.gz XJWWXDBVHSLFAD-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN N#Cc1ccc(F)cc1N1CCCC1 259270719 574004759 /nfs/dbraw/zinc/00/47/59/574004759.db2.gz BRGQFQLZBTZNIL-UHFFFAOYSA-N 0 0 190.221 2.298 10 30 AEEERN COc1cccc(N=[N+]=[N-])n1 87667275 574004780 /nfs/dbraw/zinc/00/47/80/574004780.db2.gz OSGLTBCTHMSHIC-UHFFFAOYSA-N 0 0 150.141 2.032 10 30 AEEERN CCC1=CC(=O)C[C@@H](C(C)C)O1 238239171 574004803 /nfs/dbraw/zinc/00/48/03/574004803.db2.gz XEXHXPUXGFEPCP-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN Cc1cc([N+](=O)[O-])cnc1N=[N+]=[N-] 87667253 574004904 /nfs/dbraw/zinc/00/49/04/574004904.db2.gz MMENEQLXEDOOCB-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN C=C[C@]1(CO)CC=C(C)CC1 238240305 574004932 /nfs/dbraw/zinc/00/49/32/574004932.db2.gz ZNGYUCVMLOFQQG-JTQLQIEISA-N 0 0 152.237 2.281 10 30 AEEERN Cc1cc(CCCO)cc(C#N)c1C 258198882 574005056 /nfs/dbraw/zinc/00/50/56/574005056.db2.gz YFOFUYHQBQDHCR-UHFFFAOYSA-N 0 0 189.258 2.100 10 30 AEEERN CC(C)CN(CCC#N)C[C@@H](C)C#N 48323237 574005310 /nfs/dbraw/zinc/00/53/10/574005310.db2.gz GSPUMKVKVUEJLP-NSHDSACASA-N 0 0 193.294 2.018 10 30 AEEERN C[C@H](CC=O)c1cccc2c1COC2 258201023 574004717 /nfs/dbraw/zinc/00/47/17/574004717.db2.gz YHTQOHZQUJBWID-SECBINFHSA-N 0 0 190.242 2.409 10 30 AEEERN CC#CC[C@@]1(C)OC(CC)=CC1=O 238239531 574007561 /nfs/dbraw/zinc/00/75/61/574007561.db2.gz IHJMVYFVZLVKEH-LLVKDONJSA-N 0 0 178.231 2.052 10 30 AEEERN Cc1cnc(N=[N+]=[N-])c([N+](=O)[O-])c1 87667362 574006932 /nfs/dbraw/zinc/00/69/32/574006932.db2.gz NKXYPLDVXZUSIH-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN CCC(=O)c1cc(C)cc(C#N)c1 238240118 574007086 /nfs/dbraw/zinc/00/70/86/574007086.db2.gz UXMQHRKSVOQDAS-UHFFFAOYSA-N 0 0 173.215 2.459 10 30 AEEERN CCC1=CC(=O)C[C@H](C(C)C)O1 238239287 574007166 /nfs/dbraw/zinc/00/71/66/574007166.db2.gz XEXHXPUXGFEPCP-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN COc1ccc(C#N)c(OC)c1Cl 258198889 574007171 /nfs/dbraw/zinc/00/71/71/574007171.db2.gz YFXFMBXJDWFLMC-UHFFFAOYSA-N 0 0 197.621 2.229 10 30 AEEERN Cc1cc(N=[N+]=[N-])nc(C)n1 87667417 574007238 /nfs/dbraw/zinc/00/72/38/574007238.db2.gz GWNRNXPDFYECLO-UHFFFAOYSA-N 0 0 149.157 2.035 10 30 AEEERN CCCC[C@H]1C[C@@]1(C)C=O 238245670 574007291 /nfs/dbraw/zinc/00/72/91/574007291.db2.gz TUYVLQIIBLPUSF-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN C#Cc1cc(C(C)C)ccc1N 238239251 574007299 /nfs/dbraw/zinc/00/72/99/574007299.db2.gz FJXSQGSJJUAVHH-UHFFFAOYSA-N 0 0 159.232 2.374 10 30 AEEERN CCn1nc(C)c([N+](=O)[O-])c1N=[N+]=[N-] 87667401 574007387 /nfs/dbraw/zinc/00/73/87/574007387.db2.gz WIVLDISIIPVWFV-UHFFFAOYSA-N 0 0 196.170 2.061 10 30 AEEERN CC=C=C(C)C(C)(C)C=O 238240273 574007415 /nfs/dbraw/zinc/00/74/15/574007415.db2.gz AVDZOYULSXTBNM-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN CC(C)Oc1cncc(N=[N+]=[N-])n1 87667463 574007442 /nfs/dbraw/zinc/00/74/42/574007442.db2.gz TZILLIPMOUWDFY-UHFFFAOYSA-N 0 0 179.183 2.206 10 30 AEEERN CC1=CC[C@@](C)(CC=O)C1 238240085 574007503 /nfs/dbraw/zinc/00/75/03/574007503.db2.gz CEILRUPNNNRBDA-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)(C)[S@](=O)/N=C/c1ccoc1 104493973 574009185 /nfs/dbraw/zinc/00/91/85/574009185.db2.gz HDIBBRPEFCQVJM-BCRSCGJKSA-N 0 0 199.275 2.161 10 30 AEEERN [N-]=[N+]=Nc1ncncc1Br 87667335 574009188 /nfs/dbraw/zinc/00/91/88/574009188.db2.gz YMGBHPKOEAYMFP-UHFFFAOYSA-N 0 0 199.999 2.181 10 30 AEEERN CC1(C)C[C@@]2(C=O)CCC[C@H]12 238246280 574009207 /nfs/dbraw/zinc/00/92/07/574009207.db2.gz FLNYYIZPRYZQCC-PSASIEDQSA-N 0 0 152.237 2.402 10 30 AEEERN O=CC/C=C\Cc1ccc(O)cc1 258203918 574009328 /nfs/dbraw/zinc/00/93/28/574009328.db2.gz NNBUTVQUJRTHIH-UPHRSURJSA-N 0 0 176.215 2.080 10 30 AEEERN CCOc1cccc(N=[N+]=[N-])n1 87667383 574009403 /nfs/dbraw/zinc/00/94/03/574009403.db2.gz OQSMNQAQNXSGSG-UHFFFAOYSA-N 0 0 164.168 2.422 10 30 AEEERN CCc1nsc(N=[N+]=[N-])n1 87667371 574009502 /nfs/dbraw/zinc/00/95/02/574009502.db2.gz RQTNRSTWEVBPKV-UHFFFAOYSA-N 0 0 155.186 2.042 10 30 AEEERN C=C1C(=O)C(=C)[C@@H]2C[C@H]1C2(C)C 238247268 574009550 /nfs/dbraw/zinc/00/95/50/574009550.db2.gz PPYJVNHOSGGOOR-DTORHVGOSA-N 0 0 162.232 2.344 10 30 AEEERN [N-]=[N+]=Nc1nccc(C(F)(F)F)n1 87667391 574009614 /nfs/dbraw/zinc/00/96/14/574009614.db2.gz KLDUWIKVTRVQPQ-UHFFFAOYSA-N 0 0 189.100 2.437 10 30 AEEERN C=C(CCO)Cc1ccccc1F 258201733 574009679 /nfs/dbraw/zinc/00/96/79/574009679.db2.gz NIMJUOQZZVTMOZ-UHFFFAOYSA-N 0 0 180.222 2.307 10 30 AEEERN CCCC[C@H]1C[C@@]12C[C@@H]2C=O 238245777 574009833 /nfs/dbraw/zinc/00/98/33/574009833.db2.gz AHGMMHGVWUUYLG-IVZWLZJFSA-N 0 0 152.237 2.402 10 30 AEEERN C#CC[C@@H](CC)Nc1cnccc1C#N 128050277 574009902 /nfs/dbraw/zinc/00/99/02/574009902.db2.gz VCEKWRGDQKTGAZ-LLVKDONJSA-N 0 0 199.257 2.167 10 30 AEEERN SC[C@H]1CNc2ccccc21 258201310 574009936 /nfs/dbraw/zinc/00/99/36/574009936.db2.gz PWIKDUBJCQZKHA-SSDOTTSWSA-N 0 0 165.261 2.126 10 30 AEEERN C=CC[C@@H]1C=C(C)C(=O)C1 238247512 574009938 /nfs/dbraw/zinc/00/99/38/574009938.db2.gz RDVNAJSODVOWCW-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN CCCCCC#C[C@H](C)CO 238245921 574011496 /nfs/dbraw/zinc/01/14/96/574011496.db2.gz LXBVLXZBPYWCOO-JTQLQIEISA-N 0 0 154.253 2.199 10 30 AEEERN CCCCCC#C[C@H](C)C#CCO 238245899 574010775 /nfs/dbraw/zinc/01/07/75/574010775.db2.gz BHPMLNIWWYPTCX-LBPRGKRZSA-N 0 0 178.275 2.202 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C=O)C2 238246458 574010810 /nfs/dbraw/zinc/01/08/10/574010810.db2.gz XKUCBTFMTYLIAM-IONNQARKSA-N 0 0 138.210 2.012 10 30 AEEERN C=CC[C@@H]1C=C(C)CCC1=O 238247494 574010937 /nfs/dbraw/zinc/01/09/37/574010937.db2.gz RMMIOOBSXPNJLU-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CCCCSC[C@@H](C)C=O 238246887 574011169 /nfs/dbraw/zinc/01/11/69/574011169.db2.gz QFAKNVBWEWFOCT-QMMMGPOBSA-N 0 0 160.282 2.355 10 30 AEEERN CCCC[C@H]1C[C@H]1C=O 238246245 574011251 /nfs/dbraw/zinc/01/12/51/574011251.db2.gz KQPILNRTJUWQMO-YUMQZZPRSA-N 0 0 126.199 2.012 10 30 AEEERN CCCNC(=S)C(C)(C)S 238246983 574011336 /nfs/dbraw/zinc/01/13/36/574011336.db2.gz HQQUCSZZOHQSFC-UHFFFAOYSA-N 0 0 177.338 2.022 10 30 AEEERN CC1(C)C[C@]2(C)C(=O)C=C[C@@H]12 238246241 574011342 /nfs/dbraw/zinc/01/13/42/574011342.db2.gz AVJNOTAHAZAPHK-XVKPBYJWSA-N 0 0 150.221 2.178 10 30 AEEERN CCC[C@@H](C)CCC#CCO 238247023 574011434 /nfs/dbraw/zinc/01/14/34/574011434.db2.gz HYJNWBYOKXHKEC-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN C=C[C@](C)(/C=C\C)[C@@H](C)O 393496608 574011444 /nfs/dbraw/zinc/01/14/44/574011444.db2.gz HGAYISBSCSCBJN-XOPPAYCJSA-N 0 0 140.226 2.136 10 30 AEEERN C=C[C@@H](O)C#CCCCCC 238246100 574011458 /nfs/dbraw/zinc/01/14/58/574011458.db2.gz ZDXFGVYAORNYBS-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN CCCC[C@H]1C[C@]1(Cl)C=O 238246485 574011641 /nfs/dbraw/zinc/01/16/41/574011641.db2.gz XYUMRIJZOXVWCR-YUMQZZPRSA-N 0 0 160.644 2.373 10 30 AEEERN CC1(C)C[C@@]2(C=O)CCC[C@@H]12 238246269 574011776 /nfs/dbraw/zinc/01/17/76/574011776.db2.gz FLNYYIZPRYZQCC-WCBMZHEXSA-N 0 0 152.237 2.402 10 30 AEEERN CCCCSC[C@H](C)C=O 238247168 574011780 /nfs/dbraw/zinc/01/17/80/574011780.db2.gz QFAKNVBWEWFOCT-MRVPVSSYSA-N 0 0 160.282 2.355 10 30 AEEERN CC1(C)C[C@H](CS)CCO1 238247954 574011932 /nfs/dbraw/zinc/01/19/32/574011932.db2.gz SKJLIGMWPIERJF-SSDOTTSWSA-N 0 0 160.282 2.121 10 30 AEEERN C#CC[C@H]1C[C@H]2C[C@@H](C1=O)C2(C)C 238248005 574011971 /nfs/dbraw/zinc/01/19/71/574011971.db2.gz DXACXEJCGPUJAI-GUBZILKMSA-N 0 0 176.259 2.261 10 30 AEEERN Cc1nc2[nH]c(C#N)c(C)c2s1 259593063 574012352 /nfs/dbraw/zinc/01/23/52/574012352.db2.gz GFHFALFZWRPVNR-UHFFFAOYSA-N 0 0 177.232 2.113 10 30 AEEERN C/C(=N\O)c1sc(=S)[nH]c1C 111351262 574012930 /nfs/dbraw/zinc/01/29/30/574012930.db2.gz ZFYHJVSPWMVAQL-XBXARRHUSA-N 0 0 188.277 2.312 10 30 AEEERN C#CC[C@H](CC)Nc1cnccc1C#N 128050037 574012939 /nfs/dbraw/zinc/01/29/39/574012939.db2.gz VCEKWRGDQKTGAZ-NSHDSACASA-N 0 0 199.257 2.167 10 30 AEEERN N#CC[C@H](N)c1cc2ccccc2[nH]1 104497884 574012997 /nfs/dbraw/zinc/01/29/97/574012997.db2.gz ANEPYFBEZJKIMX-VIFPVBQESA-N 0 0 185.230 2.081 10 30 AEEERN C[C@H]1Cc2cc3cc(C#N)[nH]c3cc2O1 259593298 574013173 /nfs/dbraw/zinc/01/31/73/574013173.db2.gz FRLILLNXUUMZSN-ZETCQYMHSA-N 0 0 198.225 2.363 10 30 AEEERN Cc1ccc(C2(CCS)COC2)o1 259273714 574013298 /nfs/dbraw/zinc/01/32/98/574013298.db2.gz OWOMVXJSDNFWLL-UHFFFAOYSA-N 0 0 198.287 2.176 10 30 AEEERN C=Cc1cc(Cl)cnc1C#N 209790434 574013300 /nfs/dbraw/zinc/01/33/00/574013300.db2.gz GIXSHWFJSYBXET-UHFFFAOYSA-N 0 0 164.595 2.250 10 30 AEEERN CCc1nc2n(c1C)CCC[C@@H]2C#N 259593502 574013310 /nfs/dbraw/zinc/01/33/10/574013310.db2.gz FTCRIXGIRNKCHM-SECBINFHSA-N 0 0 189.262 2.155 10 30 AEEERN CCCc1ccnc(CC#N)c1 259593230 574013350 /nfs/dbraw/zinc/01/33/50/574013350.db2.gz CFNWJQIDWYWGSB-UHFFFAOYSA-N 0 0 160.220 2.100 10 30 AEEERN C=C[C@](C)(/C=C\C)[C@H](C)O 393496607 574013374 /nfs/dbraw/zinc/01/33/74/574013374.db2.gz HGAYISBSCSCBJN-QRJDUPJOSA-N 0 0 140.226 2.136 10 30 AEEERN N#Cc1cc(Cl)cc(C2CC2)n1 259593617 574013401 /nfs/dbraw/zinc/01/34/01/574013401.db2.gz DUAXERPMWCPPQE-UHFFFAOYSA-N 0 0 178.622 2.484 10 30 AEEERN C=C[C@H](O)C#CCCCCC 238245351 574013413 /nfs/dbraw/zinc/01/34/13/574013413.db2.gz ZDXFGVYAORNYBS-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN CCO[C@@H]1CCC[C@H]1CC#N 259592776 574013570 /nfs/dbraw/zinc/01/35/70/574013570.db2.gz CAOISTHHFKPIAM-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1Cc2cc3cc(C#N)[nH]c3cc2O1 259593292 574013555 /nfs/dbraw/zinc/01/35/55/574013555.db2.gz FRLILLNXUUMZSN-SSDOTTSWSA-N 0 0 198.225 2.363 10 30 AEEERN N#Cc1c(C2CC2)noc1C1CC1 259592822 574014462 /nfs/dbraw/zinc/01/44/62/574014462.db2.gz LMFMRFMWDKRQOX-UHFFFAOYSA-N 0 0 174.203 2.301 10 30 AEEERN C=C[C@H](CO)SCCCC 238248029 574014480 /nfs/dbraw/zinc/01/44/80/574014480.db2.gz MBQMJCGNASCWFH-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN Cc1occc1[C@H](C#N)N1CCCC1 259593150 574014577 /nfs/dbraw/zinc/01/45/77/574014577.db2.gz FQQPRSDJFSHBBW-NSHDSACASA-N 0 0 190.246 2.249 10 30 AEEERN CCC(=O)c1[nH]cc(C#N)c1C1CC1 259592876 574014671 /nfs/dbraw/zinc/01/46/71/574014671.db2.gz DSOJLMXALKWPKM-UHFFFAOYSA-N 0 0 188.230 2.356 10 30 AEEERN O=C1C2=C(CCC2)C(=O)C2=C1CCC2 104496957 574014678 /nfs/dbraw/zinc/01/46/78/574014678.db2.gz UXAZAWQNQBFRGH-UHFFFAOYSA-N 0 0 188.226 2.099 10 30 AEEERN C=C[C@@]1(CO)CC=C(C)CC1 238244988 574014851 /nfs/dbraw/zinc/01/48/51/574014851.db2.gz ZNGYUCVMLOFQQG-SNVBAGLBSA-N 0 0 152.237 2.281 10 30 AEEERN CCC/C(C)=C/C(C)=O 111354812 574014857 /nfs/dbraw/zinc/01/48/57/574014857.db2.gz URFGREAPSNSHAH-VOTSOKGWSA-N 0 0 126.199 2.322 10 30 AEEERN CCO[C@@H]1CCC[C@@H]1CC#N 259592781 574014922 /nfs/dbraw/zinc/01/49/22/574014922.db2.gz CAOISTHHFKPIAM-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN N#CC[C@@H](N)c1cc2ccccc2[nH]1 104497878 574014998 /nfs/dbraw/zinc/01/49/98/574014998.db2.gz ANEPYFBEZJKIMX-SECBINFHSA-N 0 0 185.230 2.081 10 30 AEEERN N#Cc1ccsc1-c1ncco1 259592960 574015048 /nfs/dbraw/zinc/01/50/48/574015048.db2.gz GEQAASXVGKPWNM-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN CC1(C)[C@H]2C[C@H](CC#N)C(=O)[C@@H]1C2 238248010 574015066 /nfs/dbraw/zinc/01/50/66/574015066.db2.gz ZPNBPXNIEAJAKJ-CIUDSAMLSA-N 0 0 177.247 2.151 10 30 AEEERN C=CC(=C)[C@H](O)[C@H]1CC1(C)C 238240681 574015095 /nfs/dbraw/zinc/01/50/95/574015095.db2.gz XNURXNYMUGIRSC-BDAKNGLRSA-N 0 0 152.237 2.136 10 30 AEEERN C/C=C(C)/C=N/[S@@](=O)C(C)(C)C 104502434 574016574 /nfs/dbraw/zinc/01/65/74/574016574.db2.gz SOBLFAWEMRDWIQ-ROAAOTSXSA-N 0 0 187.308 2.486 10 30 AEEERN CCc1cccc2c1C(=O)C=CC2=O 104500184 574016578 /nfs/dbraw/zinc/01/65/78/574016578.db2.gz CMYZVVRBSAQGIQ-UHFFFAOYSA-N 0 0 186.210 2.184 10 30 AEEERN CCc1ccc2c(c1)C(=O)C=CC2=O 104501214 574016687 /nfs/dbraw/zinc/01/66/87/574016687.db2.gz UVHMQBSPOCXMKB-UHFFFAOYSA-N 0 0 186.210 2.184 10 30 AEEERN N#CC[C@H](N)c1coc2ccccc12 104503312 574016992 /nfs/dbraw/zinc/01/69/92/574016992.db2.gz MFEPAOMOTORZIF-JTQLQIEISA-N 0 0 186.214 2.346 10 30 AEEERN CC(O)=CC(=O)CC(C)C 111394666 574017891 /nfs/dbraw/zinc/01/78/91/574017891.db2.gz INFAIQJJHHRHCF-VMPITWQZSA-N 0 0 142.198 2.063 10 30 AEEERN C=CC(=O)[C@H]1CCCCS1 87701689 574018067 /nfs/dbraw/zinc/01/80/67/574018067.db2.gz WNKKWOGKDFYNEZ-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN C=C(C)C(=O)[C@@H]1CCCS1 87701071 574018124 /nfs/dbraw/zinc/01/81/24/574018124.db2.gz JPNCXUVEVJNLSG-ZETCQYMHSA-N 0 0 156.250 2.027 10 30 AEEERN C=C(C)C(=O)[C@H]1CCCS1 87701073 574018183 /nfs/dbraw/zinc/01/81/83/574018183.db2.gz JPNCXUVEVJNLSG-SSDOTTSWSA-N 0 0 156.250 2.027 10 30 AEEERN C=C(CC)C[C@H](O)C[C@@H](C)OC 128127490 574018291 /nfs/dbraw/zinc/01/82/91/574018291.db2.gz QXMIZWHMXFMTFA-ZJUUUORDSA-N 0 0 172.268 2.129 10 30 AEEERN C=CC(=O)[C@@H]1CCCCS1 87701687 574017673 /nfs/dbraw/zinc/01/76/73/574017673.db2.gz WNKKWOGKDFYNEZ-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN C=CC[C@H](O)[C@H]1CCCCS1 87704856 574019854 /nfs/dbraw/zinc/01/98/54/574019854.db2.gz AKGFJDIWARXBFU-DTWKUNHWSA-N 0 0 172.293 2.209 10 30 AEEERN C=C(CC)C[C@@H](O)C[C@H](C)OC 128128065 574019868 /nfs/dbraw/zinc/01/98/68/574019868.db2.gz QXMIZWHMXFMTFA-VHSXEESVSA-N 0 0 172.268 2.129 10 30 AEEERN C#CCC[C@@H](O)[C@H]1CCCCS1 87704932 574021370 /nfs/dbraw/zinc/02/13/70/574021370.db2.gz SJVGVZIWGVRYPL-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN CC(C)Cc1cc2noc(C#N)c2[nH]1 259278609 574021530 /nfs/dbraw/zinc/02/15/30/574021530.db2.gz GUYYRUSWEOQZKD-UHFFFAOYSA-N 0 0 189.218 2.226 10 30 AEEERN Cc1ccc([C@@H](S)N(C)C)cc1 259277810 574021555 /nfs/dbraw/zinc/02/15/55/574021555.db2.gz CGYOHNKAADXESJ-SNVBAGLBSA-N 0 0 181.304 2.485 10 30 AEEERN C#Cc1cc(F)c(C)cc1F 223740493 574021629 /nfs/dbraw/zinc/02/16/29/574021629.db2.gz GOUBCCZUHNLFBY-UHFFFAOYSA-N 0 0 152.143 2.255 10 30 AEEERN C=CCN1C[C@@H](C#N)CCC1(C)C 259277559 574021648 /nfs/dbraw/zinc/02/16/48/574021648.db2.gz GIQGXFRHTMGNKW-SNVBAGLBSA-N 0 0 178.279 2.187 10 30 AEEERN Cc1[nH]c(-c2ccccn2)cc1C#N 259277389 574022122 /nfs/dbraw/zinc/02/21/22/574022122.db2.gz RIERTPQEUYPWQV-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C=C(CO)C[C@@]1(C)CCC[C@H](C)C1=O 211438748 574022406 /nfs/dbraw/zinc/02/24/06/574022406.db2.gz CJUHLOYWAZFCNU-CMPLNLGQSA-N 0 0 196.290 2.320 10 30 AEEERN Cc1ccc([C@@H](C)CC=O)cc1N 259277998 574022854 /nfs/dbraw/zinc/02/28/54/574022854.db2.gz CBHARIMEODJORO-QMMMGPOBSA-N 0 0 177.247 2.270 10 30 AEEERN C=C(C)C(=O)[C@]1(C)CCCCO1 87761407 574025084 /nfs/dbraw/zinc/02/50/84/574025084.db2.gz WMMPXHAJSSPSGM-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN C#CCCNc1ccnc2ccncc12 308826133 574025086 /nfs/dbraw/zinc/02/50/86/574025086.db2.gz HYVJBKWWNDZBJK-UHFFFAOYSA-N 0 0 197.241 2.065 10 30 AEEERN COc1cc(C)c(CC=O)cc1Cl 259033153 574025479 /nfs/dbraw/zinc/02/54/79/574025479.db2.gz BUBYGXHYTVLGTB-UHFFFAOYSA-N 0 0 198.649 2.398 10 30 AEEERN Cc1cc([C@H](N)CC#N)c(C)s1 104517020 574025558 /nfs/dbraw/zinc/02/55/58/574025558.db2.gz QECJSRIYIILUDS-SECBINFHSA-N 0 0 180.276 2.278 10 30 AEEERN C=CCN[C@]1(C#N)CCC(C)(C)C1 87772704 574027696 /nfs/dbraw/zinc/02/76/96/574027696.db2.gz XLYJKCJELDRWGC-LLVKDONJSA-N 0 0 178.279 2.234 10 30 AEEERN CCCN[C@]1(C#N)CCC(C)(C)C1 87772644 574027706 /nfs/dbraw/zinc/02/77/06/574027706.db2.gz JGCGIWGGUBPSCD-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN CC1(C)CC[C@](C#N)(NCC2CC2)C1 87772683 574027936 /nfs/dbraw/zinc/02/79/36/574027936.db2.gz SYADDWKSNMLKSJ-LBPRGKRZSA-N 0 0 192.306 2.458 10 30 AEEERN CC1(C)CC[C@](C#N)(NC2CC2)C1 87772649 574028192 /nfs/dbraw/zinc/02/81/92/574028192.db2.gz URJFDACBOIWCAA-NSHDSACASA-N 0 0 178.279 2.211 10 30 AEEERN CCCN[C@@]1(C#N)CCC(C)(C)C1 87772645 574028244 /nfs/dbraw/zinc/02/82/44/574028244.db2.gz JGCGIWGGUBPSCD-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CC(C)N[C@]1(C#N)CCC(C)(C)C1 87772646 574028370 /nfs/dbraw/zinc/02/83/70/574028370.db2.gz TZBKIVUIKKTGLY-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)(C)c1cc(C#N)sn1 259283674 574029899 /nfs/dbraw/zinc/02/98/99/574029899.db2.gz AMDDJAXWMHGTPC-UHFFFAOYSA-N 0 0 166.249 2.312 10 30 AEEERN CC=CC(=O)Cc1ccc(O)cc1 393496772 574029090 /nfs/dbraw/zinc/02/90/90/574029090.db2.gz WKNQBSHUUOZCAG-IHWYPQMZSA-N 0 0 176.215 2.080 10 30 AEEERN CC[C@@H](C#N)[C@@H](c1cc[nH]c1)N(C)C 259281866 574029125 /nfs/dbraw/zinc/02/91/25/574029125.db2.gz VBLBYSXUVWDELB-ONGXEEELSA-N 0 0 191.278 2.167 10 30 AEEERN CC1(C)CC[C@@](O)(C(C)(C)C#N)C1 87773906 574029197 /nfs/dbraw/zinc/02/91/97/574029197.db2.gz XCJASTXZGKAXMZ-NSHDSACASA-N 0 0 181.279 2.477 10 30 AEEERN CCO[C@]1(C#N)CCC(C)(C)C1 87773837 574029200 /nfs/dbraw/zinc/02/92/00/574029200.db2.gz DPYVORWRNSECPH-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCC(C)(C)C1 87773900 574029248 /nfs/dbraw/zinc/02/92/48/574029248.db2.gz ZBIMBIVVKKOHBL-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@@H](c1cc[nH]c1)N(C)C 259281860 574029341 /nfs/dbraw/zinc/02/93/41/574029341.db2.gz VBLBYSXUVWDELB-KOLCDFICSA-N 0 0 191.278 2.167 10 30 AEEERN CC1(C)CC[C@@]2(CC(=O)C=CO2)C1 87773612 574029345 /nfs/dbraw/zinc/02/93/45/574029345.db2.gz RLFBYFRXOHIHQN-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN CC1(C)CC/C(=N\O)C1 87773581 574029362 /nfs/dbraw/zinc/02/93/62/574029362.db2.gz SGPYVVFPMGNZGT-SOFGYWHQSA-N 0 0 127.187 2.027 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCC(C)(C)C1 87773897 574029371 /nfs/dbraw/zinc/02/93/71/574029371.db2.gz ZBIMBIVVKKOHBL-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCC(C)(C)C1 87773910 574029455 /nfs/dbraw/zinc/02/94/55/574029455.db2.gz JTOQPUMTXUOZOM-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CN(C)[C@]1(C#N)CCC(C)(C)C1 87773382 574029460 /nfs/dbraw/zinc/02/94/60/574029460.db2.gz RERWDZBOKYFJJX-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CO[C@@]1(C#N)CCC(C)(C)C1 87773836 574029546 /nfs/dbraw/zinc/02/95/46/574029546.db2.gz UJXIMCPSBBTUFH-VIFPVBQESA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@@]1(C#N)CCC(C)(C)C1 87773838 574029598 /nfs/dbraw/zinc/02/95/98/574029598.db2.gz DPYVORWRNSECPH-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN CCS[C@H](C#N)C(C)C 85289860 574029641 /nfs/dbraw/zinc/02/96/41/574029641.db2.gz IOZPETZHFJCTQQ-SSDOTTSWSA-N 0 0 143.255 2.288 10 30 AEEERN CO[C@]1(C#N)CCC(C)(C)C1 87773835 574029677 /nfs/dbraw/zinc/02/96/77/574029677.db2.gz UJXIMCPSBBTUFH-SECBINFHSA-N 0 0 153.225 2.105 10 30 AEEERN N#CCc1cc(C2CC2)ns1 259283588 574029714 /nfs/dbraw/zinc/02/97/14/574029714.db2.gz AKSKVRIOYHDELP-UHFFFAOYSA-N 0 0 164.233 2.087 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCC(C)(C)C1 87773908 574029722 /nfs/dbraw/zinc/02/97/22/574029722.db2.gz JTOQPUMTXUOZOM-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CC1(C)CC[C@](O)(C(C)(C)C#N)C1 87773905 574029742 /nfs/dbraw/zinc/02/97/42/574029742.db2.gz XCJASTXZGKAXMZ-LLVKDONJSA-N 0 0 181.279 2.477 10 30 AEEERN N#CC1(SC2CCCCC2)COC1 259285185 574029758 /nfs/dbraw/zinc/02/97/58/574029758.db2.gz SEQDLHJUPZZIMG-UHFFFAOYSA-N 0 0 197.303 2.345 10 30 AEEERN CN(C)[C@@]1(C#N)CCC(C)(C)C1 87773383 574029778 /nfs/dbraw/zinc/02/97/78/574029778.db2.gz RERWDZBOKYFJJX-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN CCCC(=O)C1(C#N)CCC1 259284711 574029798 /nfs/dbraw/zinc/02/97/98/574029798.db2.gz VGLAFZLELUSIBN-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN CC(C)[C@@H]1CCC(=O)[C@]1(C)CC=O 223766280 574029801 /nfs/dbraw/zinc/02/98/01/574029801.db2.gz OOCOGLHHNVSEOH-GXSJLCMTSA-N 0 0 182.263 2.217 10 30 AEEERN CC[C@@H](C#N)[C@@]1(O)CCC(C)(C)C1 87773909 574029836 /nfs/dbraw/zinc/02/98/36/574029836.db2.gz JTOQPUMTXUOZOM-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CCCC#C[C@H]1CCC(=O)[C@@H]1C 143716664 574031983 /nfs/dbraw/zinc/03/19/83/574031983.db2.gz CGHLTXDUZHXJJV-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN CCCC#C/C=C/CC#CCCO 143769927 574032271 /nfs/dbraw/zinc/03/22/71/574032271.db2.gz STMNFBPJPQGVON-VOTSOKGWSA-N 0 0 176.259 2.122 10 30 AEEERN CC[C@H](C)N(C)c1ccncc1C#N 306957042 574032319 /nfs/dbraw/zinc/03/23/19/574032319.db2.gz SLNIOQKMFUUOAW-VIFPVBQESA-N 0 0 189.262 2.188 10 30 AEEERN CC[C@@H](C)N(C)c1ccncc1C#N 306957041 574032392 /nfs/dbraw/zinc/03/23/92/574032392.db2.gz SLNIOQKMFUUOAW-SECBINFHSA-N 0 0 189.262 2.188 10 30 AEEERN C[C@@H](Nc1ccncc1C#N)C1CC1 306954432 574032426 /nfs/dbraw/zinc/03/24/26/574032426.db2.gz ODSOHBHAYUHAJK-MRVPVSSYSA-N 0 0 187.246 2.164 10 30 AEEERN Cc1nc(C)c(C2(C#N)CC2)s1 259288368 574036389 /nfs/dbraw/zinc/03/63/89/574036389.db2.gz MLYFOSPHJJFTHG-UHFFFAOYSA-N 0 0 178.260 2.315 10 30 AEEERN N#CC(=O)c1cc2ccccc2o1 165907176 574036624 /nfs/dbraw/zinc/03/66/24/574036624.db2.gz HYQPFCDRPWNARI-UHFFFAOYSA-N 0 0 171.155 2.139 10 30 AEEERN COc1ncc(Cl)c(N=[N+]=[N-])n1 87799879 574036769 /nfs/dbraw/zinc/03/67/69/574036769.db2.gz BLTTYPMFSVNMCW-UHFFFAOYSA-N 0 0 185.574 2.080 10 30 AEEERN N#Cc1ccc(F)c(F)c1CF 306978723 574036918 /nfs/dbraw/zinc/03/69/18/574036918.db2.gz FFFIEEYLUNGSBN-UHFFFAOYSA-N 0 0 171.121 2.306 10 30 AEEERN CC[C@@H]1CCCC/C1=N/O 112434823 574036943 /nfs/dbraw/zinc/03/69/43/574036943.db2.gz HTRMWUORSYXIAP-HPWUZBQLSA-N 0 0 141.214 2.417 10 30 AEEERN Cc1ccccc1-c1cc(C#N)nn1C 259290532 574036987 /nfs/dbraw/zinc/03/69/87/574036987.db2.gz MRAIDOZCXFGYRP-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN N#Cc1cc(N)c2sccc2c1C#N 306962302 574037062 /nfs/dbraw/zinc/03/70/62/574037062.db2.gz BWVRZOBLKLYPOL-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C[C@@H](Cn1cc(C#N)cn1)C1CCC1 306973967 574037132 /nfs/dbraw/zinc/03/71/32/574037132.db2.gz VYMGKFJYLVFZDE-VIFPVBQESA-N 0 0 189.262 2.191 10 30 AEEERN N#Cc1c(N)ccc2c1CC(=O)S2 306987995 574038327 /nfs/dbraw/zinc/03/83/27/574038327.db2.gz QXWATJRLHLIYIJ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CCC[C@H](CC=O)[C@@H](C)F 258470524 574038566 /nfs/dbraw/zinc/03/85/66/574038566.db2.gz IDRGVMBPGDKGMZ-HTQZYQBOSA-N 0 0 146.205 2.350 10 30 AEEERN O=CC[C@@H](F)c1ccc(F)cc1 258470532 574038724 /nfs/dbraw/zinc/03/87/24/574038724.db2.gz IEFZASCHTBMGRT-SECBINFHSA-N 0 0 170.158 2.425 10 30 AEEERN O=CC[C@H](F)c1ccc(F)cc1 258470533 574038875 /nfs/dbraw/zinc/03/88/75/574038875.db2.gz IEFZASCHTBMGRT-VIFPVBQESA-N 0 0 170.158 2.425 10 30 AEEERN Cc1ccc(Cn2cncc2C#N)cc1 259293268 574038942 /nfs/dbraw/zinc/03/89/42/574038942.db2.gz HZMJTGWWSQTQNS-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN N#C[C@@H](c1ccccc1)c1ccncn1 258468009 574039014 /nfs/dbraw/zinc/03/90/14/574039014.db2.gz ACBAJWGLPDICOL-NSHDSACASA-N 0 0 195.225 2.132 10 30 AEEERN Cc1ccc([C@H](C#N)c2ncc[nH]2)cc1 259294700 574041529 /nfs/dbraw/zinc/04/15/29/574041529.db2.gz WMANKBQLMXJWCJ-NSHDSACASA-N 0 0 197.241 2.374 10 30 AEEERN Cc1cccc(C#N)c1N1CCCC1 220979750 574041667 /nfs/dbraw/zinc/04/16/67/574041667.db2.gz ZKHCGRJRVBFQMH-UHFFFAOYSA-N 0 0 186.258 2.467 10 30 AEEERN N#C[C@@H](F)C1CCCC1 259295572 574041846 /nfs/dbraw/zinc/04/18/46/574041846.db2.gz MYYUWZJUWVDSGQ-SSDOTTSWSA-N 0 0 127.162 2.038 10 30 AEEERN Cc1[nH]c(C(C)(C)C)cc1C#N 259295856 574041922 /nfs/dbraw/zinc/04/19/22/574041922.db2.gz SFQGAUFMHGLLBR-UHFFFAOYSA-N 0 0 162.236 2.492 10 30 AEEERN Cc1csc(CCCC#N)n1 259295120 574041942 /nfs/dbraw/zinc/04/19/42/574041942.db2.gz OALGABRMEBXHEH-UHFFFAOYSA-N 0 0 166.249 2.298 10 30 AEEERN Cc1cccc([C@@H](O)CCS)c1 259296852 574043470 /nfs/dbraw/zinc/04/34/70/574043470.db2.gz WPPMUEIVEOMTSU-JTQLQIEISA-N 0 0 182.288 2.348 10 30 AEEERN O[C@@H](CCS)c1cccs1 259296829 574043473 /nfs/dbraw/zinc/04/34/73/574043473.db2.gz WPDZQFYPSSZILR-LURJTMIESA-N 0 0 174.290 2.101 10 30 AEEERN O[C@H](CCS)c1cccs1 259296830 574043578 /nfs/dbraw/zinc/04/35/78/574043578.db2.gz WPDZQFYPSSZILR-ZCFIWIBFSA-N 0 0 174.290 2.101 10 30 AEEERN Cc1cccc([C@H](O)CCS)c1 259296854 574043638 /nfs/dbraw/zinc/04/36/38/574043638.db2.gz WPPMUEIVEOMTSU-SNVBAGLBSA-N 0 0 182.288 2.348 10 30 AEEERN C[C@H]1CCC=C[C@]1(C)C=O 113233945 574047441 /nfs/dbraw/zinc/04/74/41/574047441.db2.gz SRIZYAYLDKGIHN-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[Si](C)(C)C#CC(C)=O 197949408 574047726 /nfs/dbraw/zinc/04/77/26/574047726.db2.gz YAHNGYIEGUGSJH-UHFFFAOYSA-N 0 0 166.296 2.012 10 30 AEEERN C[C@@H]1CCC=C[C@]1(C)C=O 113233943 574048054 /nfs/dbraw/zinc/04/80/54/574048054.db2.gz SRIZYAYLDKGIHN-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CCCCNc1cc(C)c(C#N)cn1 1154827819 760683007 /nfs/dbraw/zinc/68/30/07/760683007.db2.gz SAEBULFXOFYXFS-UHFFFAOYSA-N 0 0 189.262 2.474 10 30 AEEERN C#CCCCNc1ncc(F)cc1C 1155010786 760688653 /nfs/dbraw/zinc/68/86/53/760688653.db2.gz UJUCZFUNMLMIAJ-UHFFFAOYSA-N 0 0 192.237 2.354 10 30 AEEERN C#CCCCNc1nccc(C)c1F 1155013980 760688982 /nfs/dbraw/zinc/68/89/82/760688982.db2.gz GWIDVYXLVAIVRI-UHFFFAOYSA-N 0 0 192.237 2.354 10 30 AEEERN C=C(CC)C(=O)NC[C@@]12CCC[C@@H]1C2 1156401975 760695548 /nfs/dbraw/zinc/69/55/48/760695548.db2.gz BQLJLNRPHQNFDA-PWSUYJOCSA-N 0 0 193.290 2.259 10 30 AEEERN CCCN(C)c1cc(C)c(C#N)cn1 1156873245 760704216 /nfs/dbraw/zinc/70/42/16/760704216.db2.gz DPZQRGSWCCUHPT-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN CC[C@@H](C)Nc1cc(C)c(C#N)cn1 1157229993 760730682 /nfs/dbraw/zinc/73/06/82/760730682.db2.gz GDMHCHJUHNMQQK-SECBINFHSA-N 0 0 189.262 2.472 10 30 AEEERN CC[C@H](C)Nc1cc(C)c(C#N)cn1 1157229994 760731672 /nfs/dbraw/zinc/73/16/72/760731672.db2.gz GDMHCHJUHNMQQK-VIFPVBQESA-N 0 0 189.262 2.472 10 30 AEEERN C=CCCCNc1ncc(CC)cn1 1159258443 760802806 /nfs/dbraw/zinc/80/28/06/760802806.db2.gz UGBXANUREPUJTP-UHFFFAOYSA-N 0 0 191.278 2.417 10 30 AEEERN C=CCCCNc1nc(C)ncc1C 1159259854 760804113 /nfs/dbraw/zinc/80/41/13/760804113.db2.gz VMOFDLPZALVHMT-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=C(C)CCC(=O)NOCC(C)C 1161057215 760814249 /nfs/dbraw/zinc/81/42/49/760814249.db2.gz UGZOOEKCFIGLCZ-UHFFFAOYSA-N 0 0 185.267 2.047 10 30 AEEERN C#CC(=O)Nc1cccc(C(=C)C)c1 1161884778 760827042 /nfs/dbraw/zinc/82/70/42/760827042.db2.gz VSWPOMRXKXXKDW-UHFFFAOYSA-N 0 0 185.226 2.291 10 30 AEEERN C#C[C@H](C)Nc1nc(Cl)ccc1F 1163159939 760833610 /nfs/dbraw/zinc/83/36/10/760833610.db2.gz QKEWVBXQPQZZQJ-LURJTMIESA-N 0 0 198.628 2.308 10 30 AEEERN C#C[C@H](C)Nc1cccc(C2CC2)n1 1163161534 760834203 /nfs/dbraw/zinc/83/42/03/760834203.db2.gz NBCRWJMNDOSFBL-VIFPVBQESA-N 0 0 186.258 2.393 10 30 AEEERN C#C[C@H](C)Nc1nccc(C)c1Cl 1163160099 760834512 /nfs/dbraw/zinc/83/45/12/760834512.db2.gz UACFRTORZSDLMP-QMMMGPOBSA-N 0 0 194.665 2.477 10 30 AEEERN C#CCNc1cccc(C(C)C)n1 1163361948 760836900 /nfs/dbraw/zinc/83/69/00/760836900.db2.gz IFXIPNDBPRROPA-UHFFFAOYSA-N 0 0 174.247 2.250 10 30 AEEERN C=C(C)CNc1nccc(Cl)n1 1163381958 760840363 /nfs/dbraw/zinc/84/03/63/760840363.db2.gz NBXBGFQZISTWCB-UHFFFAOYSA-N 0 0 183.642 2.118 10 30 AEEERN C=C(C)CNc1nnc(C)c(C)c1C 1163375798 760840429 /nfs/dbraw/zinc/84/04/29/760840429.db2.gz LLCJWYXJUNGHGN-UHFFFAOYSA-N 0 0 191.278 2.390 10 30 AEEERN Cc1cc(N(C)C(C)C)ncc1C#N 1163619236 760846700 /nfs/dbraw/zinc/84/67/00/760846700.db2.gz MLPLQTGBTFGRFI-UHFFFAOYSA-N 0 0 189.262 2.106 10 30 AEEERN C=CCOCSc1ccccn1 1164518617 760856275 /nfs/dbraw/zinc/85/62/75/760856275.db2.gz NPXGHNZOOLIHJE-UHFFFAOYSA-N 0 0 181.260 2.334 10 30 AEEERN C#CCSc1cccc(F)c1C#N 1166246805 760859668 /nfs/dbraw/zinc/85/96/68/760859668.db2.gz MLCABRKZAZWACS-UHFFFAOYSA-N 0 0 191.230 2.423 10 30 AEEERN CCCNc1nc(Cl)ccc1C#N 1168132063 760894893 /nfs/dbraw/zinc/89/48/93/760894893.db2.gz FKOQIKFLAGQUHW-UHFFFAOYSA-N 0 0 195.653 2.429 10 30 AEEERN C#C[C@@](C)(CC)Nc1cccc(N)c1 1169699818 760984510 /nfs/dbraw/zinc/98/45/10/760984510.db2.gz AQNVFGWXAWPKFK-LBPRGKRZSA-N 0 0 188.274 2.483 10 30 AEEERN C#C[C@](C)(CC)Nc1cccc(N)c1 1169699817 760993192 /nfs/dbraw/zinc/99/31/92/760993192.db2.gz AQNVFGWXAWPKFK-GFCCVEGCSA-N 0 0 188.274 2.483 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CC[C@@H](CC)C1 1173275739 761242668 /nfs/dbraw/zinc/24/26/68/761242668.db2.gz SWEJXWXPHORMDU-OUAUKWLOSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H]1CC[C@H](N[C@@H](C#N)CC)C1 1173275737 761247191 /nfs/dbraw/zinc/24/71/91/761247191.db2.gz SWEJXWXPHORMDU-MXWKQRLJSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H]1CC[C@@H](N[C@@H](C#N)CC)C1 1173275735 761250050 /nfs/dbraw/zinc/25/00/50/761250050.db2.gz SWEJXWXPHORMDU-GMTAPVOTSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CC[C@@H](CC)C1 1173275741 761252744 /nfs/dbraw/zinc/25/27/44/761252744.db2.gz SWEJXWXPHORMDU-VWYCJHECSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H]1CC[C@@H](N(C)[C@@H](C)C#N)C1 1173283863 761260556 /nfs/dbraw/zinc/26/05/56/761260556.db2.gz OCWYAXGYYXFLCL-HBNTYKKESA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@@H]1CC[C@H](N(C)[C@H](C)C#N)C1 1173283864 761260737 /nfs/dbraw/zinc/26/07/37/761260737.db2.gz OCWYAXGYYXFLCL-MXWKQRLJSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@@H]1CC[C@H](N(C)[C@@H](C)C#N)C1 1173283861 761263683 /nfs/dbraw/zinc/26/36/83/761263683.db2.gz OCWYAXGYYXFLCL-AXFHLTTASA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@@H]1CC[C@@H](N(C)[C@H](C)C#N)C1 1173283862 761266550 /nfs/dbraw/zinc/26/65/50/761266550.db2.gz OCWYAXGYYXFLCL-GMTAPVOTSA-N 0 0 180.295 2.409 10 30 AEEERN N#CCN1CCC[C@@H](C2CCCC2)C1 1176932788 761446386 /nfs/dbraw/zinc/44/63/86/761446386.db2.gz REHNEYYMVAECQO-GFCCVEGCSA-N 0 0 192.306 2.412 10 30 AEEERN N#CCN1CCC[C@H](C2CCCC2)C1 1176932789 761454146 /nfs/dbraw/zinc/45/41/46/761454146.db2.gz REHNEYYMVAECQO-LBPRGKRZSA-N 0 0 192.306 2.412 10 30 AEEERN C#CCNc1nc2ccc(F)cc2o1 1184572276 761563551 /nfs/dbraw/zinc/56/35/51/761563551.db2.gz NTZGNVFRQCLUHH-UHFFFAOYSA-N 0 0 190.177 2.012 10 30 AEEERN C=CCNc1nc(C#N)c(Cl)s1 1184618093 761564089 /nfs/dbraw/zinc/56/40/89/761564089.db2.gz YPKFCNMNCDIWSS-UHFFFAOYSA-N 0 0 199.666 2.266 10 30 AEEERN C=C[C@H](C)Nc1cc(C)c(C#N)cn1 1185775434 761569487 /nfs/dbraw/zinc/56/94/87/761569487.db2.gz NWMNHFXLHQSKCI-VIFPVBQESA-N 0 0 187.246 2.248 10 30 AEEERN C=C[C@@H](C)Nc1cc(C)c(C#N)cn1 1185775433 761569568 /nfs/dbraw/zinc/56/95/68/761569568.db2.gz NWMNHFXLHQSKCI-SECBINFHSA-N 0 0 187.246 2.248 10 30 AEEERN C=C=CCNc1ccc(C#N)c(C)n1 1186571188 761572395 /nfs/dbraw/zinc/57/23/95/761572395.db2.gz FXBBFBHQDDMFGI-UHFFFAOYSA-N 0 0 185.230 2.015 10 30 AEEERN Cc1cc(N[C@@H](C)CF)ncc1C#N 1186585709 761572441 /nfs/dbraw/zinc/57/24/41/761572441.db2.gz PZSCOQLLLGSNHA-QMMMGPOBSA-N 0 0 193.225 2.032 10 30 AEEERN C#Cc1ccc(Nc2cnccn2)cc1 1187841690 761578072 /nfs/dbraw/zinc/57/80/72/761578072.db2.gz KZJCWAGFPLZZJH-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CCc1cccc(F)c1OC(C)=O 1191496227 761606423 /nfs/dbraw/zinc/60/64/23/761606423.db2.gz NBRCILZAVAHRMQ-UHFFFAOYSA-N 0 0 194.205 2.480 10 30 AEEERN C#CC(CC)(CC)NC(=O)OC(C)C 1193449073 761621885 /nfs/dbraw/zinc/62/18/85/761621885.db2.gz KVJPLECDUICBAY-UHFFFAOYSA-N 0 0 197.278 2.313 10 30 AEEERN COC(=O)Nc1ccc(C)c(C#N)c1 1193902997 761643644 /nfs/dbraw/zinc/64/36/44/761643644.db2.gz CLIXNAVVHSYWEI-UHFFFAOYSA-N 0 0 190.202 2.045 10 30 AEEERN COC(=O)Nc1ccc(C#N)c(C)c1 1193912979 761650804 /nfs/dbraw/zinc/65/08/04/761650804.db2.gz YYXWYJOJZYDZLJ-UHFFFAOYSA-N 0 0 190.202 2.045 10 30 AEEERN C#CC(CC)(CC)NC(=O)OCCC 1194086328 761656429 /nfs/dbraw/zinc/65/64/29/761656429.db2.gz CUCVWNUNMNCUOO-UHFFFAOYSA-N 0 0 197.278 2.315 10 30 AEEERN C#CC(CC)(CC)NC(=O)OCC=C 1194283383 761661197 /nfs/dbraw/zinc/66/11/97/761661197.db2.gz YHSUYSBUYWAUCE-UHFFFAOYSA-N 0 0 195.262 2.091 10 30 AEEERN C=CCOC(=O)N1CC[C@@H](C)C[C@H]1C 1194304513 761662668 /nfs/dbraw/zinc/66/26/68/761662668.db2.gz KBJMFLOJDHIJFB-NXEZZACHSA-N 0 0 197.278 2.429 10 30 AEEERN C=CCOC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 1194334809 761668355 /nfs/dbraw/zinc/66/83/55/761668355.db2.gz WGCKMXVWAKKJAQ-IVZWLZJFSA-N 0 0 195.262 2.087 10 30 AEEERN C=CCOC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2 1194347439 761669380 /nfs/dbraw/zinc/66/93/80/761669380.db2.gz WGCKMXVWAKKJAQ-KXUCPTDWSA-N 0 0 195.262 2.087 10 30 AEEERN C#CCCCNC(=O)OCC(C)(C)C 1194402213 761670812 /nfs/dbraw/zinc/67/08/12/761670812.db2.gz WBUURGJYXPNXBR-UHFFFAOYSA-N 0 0 197.278 2.172 10 30 AEEERN CC[C@@H](C#N)NC(=O)OCC(C)(C)C 1194409291 761671626 /nfs/dbraw/zinc/67/16/26/761671626.db2.gz LXPSYRQFZNUBKH-QMMMGPOBSA-N 0 0 198.266 2.061 10 30 AEEERN CN(CCC#N)C(=O)OCC(C)(C)C 1194353562 761671764 /nfs/dbraw/zinc/67/17/64/761671764.db2.gz JZVHXHUDMHPZIV-UHFFFAOYSA-N 0 0 198.266 2.015 10 30 AEEERN C=CCCNC(=O)OCC(C)(C)C 1194404744 761671796 /nfs/dbraw/zinc/67/17/96/761671796.db2.gz VKUREPWDKOCOKX-UHFFFAOYSA-N 0 0 185.267 2.335 10 30 AEEERN C#CC(C)(C)NC(=O)OCC(C)(C)C 1194401423 761672294 /nfs/dbraw/zinc/67/22/94/761672294.db2.gz LOZXPBICIZZOHK-UHFFFAOYSA-N 0 0 197.278 2.171 10 30 AEEERN C[C@@H](CC#N)NC(=O)OCC(C)(C)C 1194410097 761673070 /nfs/dbraw/zinc/67/30/70/761673070.db2.gz RSIONEDQZRQLOC-QMMMGPOBSA-N 0 0 198.266 2.061 10 30 AEEERN CC[C@H](C#N)NC(=O)OCC(C)(C)C 1194409289 761673179 /nfs/dbraw/zinc/67/31/79/761673179.db2.gz LXPSYRQFZNUBKH-MRVPVSSYSA-N 0 0 198.266 2.061 10 30 AEEERN C[C@H](C#N)N(C)C(=O)OCC(C)(C)C 1194377765 761673630 /nfs/dbraw/zinc/67/36/30/761673630.db2.gz AKQBFIOYCJWYKS-MRVPVSSYSA-N 0 0 198.266 2.013 10 30 AEEERN CC(C)(C)COC(=O)NCCCC#N 1194406130 761674525 /nfs/dbraw/zinc/67/45/25/761674525.db2.gz QGIZWUJZLULBPM-UHFFFAOYSA-N 0 0 198.266 2.062 10 30 AEEERN C[C@@H](C#N)N(C)C(=O)OCC(C)(C)C 1194377766 761674848 /nfs/dbraw/zinc/67/48/48/761674848.db2.gz AKQBFIOYCJWYKS-QMMMGPOBSA-N 0 0 198.266 2.013 10 30 AEEERN CC(C)(C)COC(=O)NC(C)(C)C#N 1194398992 761674907 /nfs/dbraw/zinc/67/49/07/761674907.db2.gz YJVFISDNCXNXKC-UHFFFAOYSA-N 0 0 198.266 2.061 10 30 AEEERN C=CCC(CC=C)OCC(=O)OCC 1204701581 761865265 /nfs/dbraw/zinc/86/52/65/761865265.db2.gz OBQQPDVUQZDSHD-UHFFFAOYSA-N 0 0 198.262 2.087 10 30 AEEERN C#CCOC(CC=C)CC=C 1205006257 761881242 /nfs/dbraw/zinc/88/12/42/761881242.db2.gz GSTHCCDKXPKCRE-UHFFFAOYSA-N 0 0 150.221 2.157 10 30 AEEERN C#CCO[C@@H]1CCC[C@H](C)[C@@H]1C 1205012125 761882705 /nfs/dbraw/zinc/88/27/05/761882705.db2.gz HZHVEFPCAYZZNV-GARJFASQSA-N 0 0 166.264 2.461 10 30 AEEERN C#CCO[C@@H]1CCC[C@@H](C)[C@@H]1C 1205012128 761882940 /nfs/dbraw/zinc/88/29/40/761882940.db2.gz HZHVEFPCAYZZNV-OUAUKWLOSA-N 0 0 166.264 2.461 10 30 AEEERN C#CCO[C@@H]1CCC[C@@H](C)[C@H]1C 1205012126 761883112 /nfs/dbraw/zinc/88/31/12/761883112.db2.gz HZHVEFPCAYZZNV-GMTAPVOTSA-N 0 0 166.264 2.461 10 30 AEEERN C#CCO[C@@H]1CCC[C@H](C)[C@H]1C 1205012127 761884181 /nfs/dbraw/zinc/88/41/81/761884181.db2.gz HZHVEFPCAYZZNV-HBNTYKKESA-N 0 0 166.264 2.461 10 30 AEEERN C=CCC(CC=C)OCCC(=O)OC 1205051221 761892115 /nfs/dbraw/zinc/89/21/15/761892115.db2.gz MFXISLHUXGQUNI-UHFFFAOYSA-N 0 0 198.262 2.087 10 30 AEEERN C[C@@H](C#N)N(C)C[C@H](C)C(F)(F)F 1208899037 762272002 /nfs/dbraw/zinc/27/20/02/762272002.db2.gz DBQMYTKBFYJCEW-BQBZGAKWSA-N 0 0 194.200 2.029 10 30 AEEERN C[C@H](C#N)N(C)C[C@@H](C)C(F)(F)F 1208899043 762272929 /nfs/dbraw/zinc/27/29/29/762272929.db2.gz DBQMYTKBFYJCEW-RNFRBKRXSA-N 0 0 194.200 2.029 10 30 AEEERN C[C@@H](CN(C)[C@H](C)C#N)C(F)(F)F 1208899042 762274324 /nfs/dbraw/zinc/27/43/24/762274324.db2.gz DBQMYTKBFYJCEW-NKWVEPMBSA-N 0 0 194.200 2.029 10 30 AEEERN C[C@@H](C#N)N(C)C[C@@H](C)C(F)(F)F 1208899045 762275371 /nfs/dbraw/zinc/27/53/71/762275371.db2.gz DBQMYTKBFYJCEW-RQJHMYQMSA-N 0 0 194.200 2.029 10 30 AEEERN C=CCCCN1Cc2ncsc2C1 1209163496 762285258 /nfs/dbraw/zinc/28/52/58/762285258.db2.gz GECPUKAVICJHEK-UHFFFAOYSA-N 0 0 194.303 2.425 10 30 AEEERN C=CCCCCN1CC(F)(F)C1 1209201842 762288806 /nfs/dbraw/zinc/28/88/06/762288806.db2.gz UZMDYVJLPKDALI-UHFFFAOYSA-N 0 0 175.222 2.294 10 30 AEEERN C=CCCCCN1CC(C)(F)C1 1209201835 762288816 /nfs/dbraw/zinc/28/88/16/762288816.db2.gz UTPLIAYIDOUXOO-UHFFFAOYSA-N 0 0 171.259 2.387 10 30 AEEERN C=CCCCCN1C[C@@H](F)[C@H](F)C1 1209201877 762289674 /nfs/dbraw/zinc/28/96/74/762289674.db2.gz XPGOQBXVDUFFCV-NXEZZACHSA-N 0 0 189.249 2.335 10 30 AEEERN C=CCCCCN1CCC[C@H]1C#N 1209201787 762290157 /nfs/dbraw/zinc/29/01/57/762290157.db2.gz SNCFLXDXFIAHMI-NSHDSACASA-N 0 0 178.279 2.331 10 30 AEEERN C=CCCCCN1CCCCO1 1209201793 762290770 /nfs/dbraw/zinc/29/07/70/762290770.db2.gz SWJCFKFNXVWVIJ-UHFFFAOYSA-N 0 0 169.268 2.370 10 30 AEEERN C=CCCCCN1C[C@H](F)[C@H](F)C1 1209201876 762291477 /nfs/dbraw/zinc/29/14/77/762291477.db2.gz XPGOQBXVDUFFCV-AOOOYVTPSA-N 0 0 189.249 2.335 10 30 AEEERN C=CCCCCCN1CC(F)C1 1209423685 762311284 /nfs/dbraw/zinc/31/12/84/762311284.db2.gz XIYOWIDOFNLPKM-UHFFFAOYSA-N 0 0 171.259 2.387 10 30 AEEERN C=CCCCCCCN1CC(=O)C1 1209435704 762313098 /nfs/dbraw/zinc/31/30/98/762313098.db2.gz IDROBARNDMTWHN-UHFFFAOYSA-N 0 0 181.279 2.008 10 30 AEEERN C#Cc1ccc(Nc2ncccn2)cc1 1210116045 762336960 /nfs/dbraw/zinc/33/69/60/762336960.db2.gz UPQOMIWIMMZTOJ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C(C)c1cccc(NC(N)=O)c1 1220335301 764019061 /nfs/dbraw/zinc/01/90/61/764019061.db2.gz RCWFJIYFUIPJCQ-UHFFFAOYSA-N 0 0 176.219 2.210 10 30 AEEERN C=C1CN(C(=O)NCCC(C)(C)C)C1 1220783197 764028480 /nfs/dbraw/zinc/02/84/80/764028480.db2.gz ZDPJQJFYNPAWJU-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=C1CN(C(=O)NCCCCCC)C1 1220547317 764029072 /nfs/dbraw/zinc/02/90/72/764029072.db2.gz ROUBWRJGAPABKB-UHFFFAOYSA-N 0 0 196.294 2.148 10 30 AEEERN C=C[C@@H](C)OCc1ccc(C#N)cn1 1222978116 764118308 /nfs/dbraw/zinc/11/83/08/764118308.db2.gz BFGSAFNAPJAKBS-SECBINFHSA-N 0 0 188.230 2.044 10 30 AEEERN CC[C@H](C)OCc1ccc(C#N)cn1 1222979641 764118669 /nfs/dbraw/zinc/11/86/69/764118669.db2.gz YPTBYWAWNCNVRP-VIFPVBQESA-N 0 0 190.246 2.268 10 30 AEEERN C=C[C@H](C)OCc1ccc(C#N)cn1 1222978117 764122711 /nfs/dbraw/zinc/12/27/11/764122711.db2.gz BFGSAFNAPJAKBS-VIFPVBQESA-N 0 0 188.230 2.044 10 30 AEEERN N#Cc1ccc(COC2CCC2)nc1 1222979696 764122801 /nfs/dbraw/zinc/12/28/01/764122801.db2.gz ZYIQUYUJXBSGCO-UHFFFAOYSA-N 0 0 188.230 2.022 10 30 AEEERN CC[C@@H](C)OCc1ccc(C#N)cn1 1222979640 764122843 /nfs/dbraw/zinc/12/28/43/764122843.db2.gz YPTBYWAWNCNVRP-SECBINFHSA-N 0 0 190.246 2.268 10 30 AEEERN C=C[C@H](C)OCc1cccc(C#N)n1 1223060732 764144132 /nfs/dbraw/zinc/14/41/32/764144132.db2.gz YSHDMCMCMOXZGZ-VIFPVBQESA-N 0 0 188.230 2.044 10 30 AEEERN CC[C@@H](C)OCc1cccc(C#N)n1 1223060752 764144424 /nfs/dbraw/zinc/14/44/24/764144424.db2.gz ZGRZPZVNRLXXAD-SECBINFHSA-N 0 0 190.246 2.268 10 30 AEEERN C=C[C@@H](C)OCc1cccc(C#N)n1 1223060731 764144485 /nfs/dbraw/zinc/14/44/85/764144485.db2.gz YSHDMCMCMOXZGZ-SECBINFHSA-N 0 0 188.230 2.044 10 30 AEEERN CC[C@H](C)OCc1cccc(C#N)n1 1223060753 764145805 /nfs/dbraw/zinc/14/58/05/764145805.db2.gz ZGRZPZVNRLXXAD-VIFPVBQESA-N 0 0 190.246 2.268 10 30 AEEERN N#Cc1cccc(COC2CCC2)n1 1223059819 764145819 /nfs/dbraw/zinc/14/58/19/764145819.db2.gz ABDWLJJVCTVWRA-UHFFFAOYSA-N 0 0 188.230 2.022 10 30 AEEERN C#C[C@@H](C)OCc1ccsc1 1223335844 764156517 /nfs/dbraw/zinc/15/65/17/764156517.db2.gz JPNCZMWIDBWGBA-MRVPVSSYSA-N 0 0 166.245 2.286 10 30 AEEERN C#C[C@H](C)OCc1ccsc1 1223338282 764160435 /nfs/dbraw/zinc/16/04/35/764160435.db2.gz JPNCZMWIDBWGBA-QMMMGPOBSA-N 0 0 166.245 2.286 10 30 AEEERN C=CCC(CC=C)OCC#N 1224378758 764201041 /nfs/dbraw/zinc/20/10/41/764201041.db2.gz MCDDKKYBCSOVRN-UHFFFAOYSA-N 0 0 151.209 2.047 10 30 AEEERN C[C@@H]1[C@@H](OCC#N)CCC[C@H]1C 1224380186 764201832 /nfs/dbraw/zinc/20/18/32/764201832.db2.gz DPPVAZVLRQNLSG-UTLUCORTSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@@H]1CCC[C@H](OCC#N)[C@@H]1C 1224380182 764202338 /nfs/dbraw/zinc/20/23/38/764202338.db2.gz DPPVAZVLRQNLSG-BBBLOLIVSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@H]1OCC#N 1224380183 764202758 /nfs/dbraw/zinc/20/27/58/764202758.db2.gz DPPVAZVLRQNLSG-KXUCPTDWSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@@H]1CCC[C@@H](OCC#N)[C@@H]1C 1224380184 764202924 /nfs/dbraw/zinc/20/29/24/764202924.db2.gz DPPVAZVLRQNLSG-OPRDCNLKSA-N 0 0 167.252 2.351 10 30 AEEERN C=C[C@@H](C)OCC#C[Si](C)(C)C 1224616010 764225429 /nfs/dbraw/zinc/22/54/29/764225429.db2.gz OCAKUNXBXHDICI-SNVBAGLBSA-N 0 0 182.339 2.458 10 30 AEEERN C[Si](C)(C)C#CCOC1CCC1 1224615459 764225692 /nfs/dbraw/zinc/22/56/92/764225692.db2.gz DQJKECHGERDDGB-UHFFFAOYSA-N 0 0 182.339 2.436 10 30 AEEERN CC(C)OCC#C[Si](C)(C)C 1224615606 764225949 /nfs/dbraw/zinc/22/59/49/764225949.db2.gz OICHBTPLPWWBEJ-UHFFFAOYSA-N 0 0 170.328 2.292 10 30 AEEERN C=C[C@H](C)OCC#C[Si](C)(C)C 1224616007 764226185 /nfs/dbraw/zinc/22/61/85/764226185.db2.gz OCAKUNXBXHDICI-JTQLQIEISA-N 0 0 182.339 2.458 10 30 AEEERN C[Si](C)(C)C#CCOC1CC1 1224616336 764226194 /nfs/dbraw/zinc/22/61/94/764226194.db2.gz SCBNPJHYRAIAAN-UHFFFAOYSA-N 0 0 168.312 2.046 10 30 AEEERN C#C[C@H](C)OCC1CC(C)(C)C1 1224766451 764262260 /nfs/dbraw/zinc/26/22/60/764262260.db2.gz ICUDGXQCNSATGO-VIFPVBQESA-N 0 0 166.264 2.461 10 30 AEEERN C#C[C@@H](C)OCC1CC(C)(C)C1 1224766450 764264032 /nfs/dbraw/zinc/26/40/32/764264032.db2.gz ICUDGXQCNSATGO-SECBINFHSA-N 0 0 166.264 2.461 10 30 AEEERN C#C[C@@H](C)Oc1cnc(Cl)c(C)c1 1225821995 764335400 /nfs/dbraw/zinc/33/54/00/764335400.db2.gz DRCZEEZKTSLFJJ-MRVPVSSYSA-N 0 0 195.649 2.444 10 30 AEEERN C#C[C@H](C)Oc1cnc(Cl)c(C)c1 1225821997 764334172 /nfs/dbraw/zinc/33/41/72/764334172.db2.gz DRCZEEZKTSLFJJ-QMMMGPOBSA-N 0 0 195.649 2.444 10 30 AEEERN C#C[C@@H](CCC)Oc1cccc(F)n1 1226189856 764346251 /nfs/dbraw/zinc/34/62/51/764346251.db2.gz GQIKECBFHVNHFH-VIFPVBQESA-N 0 0 193.221 2.401 10 30 AEEERN C#C[C@@H](Oc1cccc(F)n1)C(C)C 1226194216 764346185 /nfs/dbraw/zinc/34/61/85/764346185.db2.gz RGMSAXLIQAMRKF-SECBINFHSA-N 0 0 193.221 2.257 10 30 AEEERN C#C[C@@H](CC)Oc1cccc(F)n1 1226189219 764346287 /nfs/dbraw/zinc/34/62/87/764346287.db2.gz BUACUBGQGRHRIW-QMMMGPOBSA-N 0 0 179.194 2.011 10 30 AEEERN C#C[C@H](CCC)Oc1cccc(F)n1 1226189855 764346644 /nfs/dbraw/zinc/34/66/44/764346644.db2.gz GQIKECBFHVNHFH-SECBINFHSA-N 0 0 193.221 2.401 10 30 AEEERN C#C[C@H](CC)Oc1cccc(F)n1 1226189217 764347090 /nfs/dbraw/zinc/34/70/90/764347090.db2.gz BUACUBGQGRHRIW-MRVPVSSYSA-N 0 0 179.194 2.011 10 30 AEEERN C#C[C@H](Oc1cccc(F)n1)C(C)C 1226194218 764347399 /nfs/dbraw/zinc/34/73/99/764347399.db2.gz RGMSAXLIQAMRKF-VIFPVBQESA-N 0 0 193.221 2.257 10 30 AEEERN CC[C@H](C)Oc1cncc(C#N)c1 1226684539 764371492 /nfs/dbraw/zinc/37/14/92/764371492.db2.gz NKHRALFDWAIYTP-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN CC(C)[C@H](C)Oc1cncc(C#N)c1 1226686067 764371859 /nfs/dbraw/zinc/37/18/59/764371859.db2.gz LSMKQDUDDNAOHF-VIFPVBQESA-N 0 0 190.246 2.377 10 30 AEEERN N#Cc1cncc(OC2CC=CC2)c1 1226685377 764372193 /nfs/dbraw/zinc/37/21/93/764372193.db2.gz ZPBQSLSPFDMOIF-UHFFFAOYSA-N 0 0 186.214 2.051 10 30 AEEERN CC(C)[C@@H](C)Oc1cncc(C#N)c1 1226686066 764374020 /nfs/dbraw/zinc/37/40/20/764374020.db2.gz LSMKQDUDDNAOHF-SECBINFHSA-N 0 0 190.246 2.377 10 30 AEEERN CC[C@@H](C)Oc1cncc(C#N)c1 1226684538 764374090 /nfs/dbraw/zinc/37/40/90/764374090.db2.gz NKHRALFDWAIYTP-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN C=CC[C@@H](C)Oc1cncc(C#N)c1 1226683091 764374936 /nfs/dbraw/zinc/37/49/36/764374936.db2.gz AHWWNMKYKSMWKQ-SECBINFHSA-N 0 0 188.230 2.297 10 30 AEEERN C#C[C@H](CC)Oc1ccnc(F)c1 1226788444 764383924 /nfs/dbraw/zinc/38/39/24/764383924.db2.gz PYOLFMNCGVXVAO-MRVPVSSYSA-N 0 0 179.194 2.011 10 30 AEEERN C#C[C@@H](Oc1ccnc(F)c1)C(C)C 1226790116 764384200 /nfs/dbraw/zinc/38/42/00/764384200.db2.gz OSNIBJZWVGSNLG-SNVBAGLBSA-N 0 0 193.221 2.257 10 30 AEEERN C#C[C@H](Oc1ccnc(F)c1)C(C)C 1226790115 764384929 /nfs/dbraw/zinc/38/49/29/764384929.db2.gz OSNIBJZWVGSNLG-JTQLQIEISA-N 0 0 193.221 2.257 10 30 AEEERN C#C[C@@H](CC)Oc1ccnc(F)c1 1226788445 764386029 /nfs/dbraw/zinc/38/60/29/764386029.db2.gz PYOLFMNCGVXVAO-QMMMGPOBSA-N 0 0 179.194 2.011 10 30 AEEERN C#C[C@H](CCC)Oc1ccnc(F)c1 1226788509 764386164 /nfs/dbraw/zinc/38/61/64/764386164.db2.gz RJULLOLMNUNMFE-SECBINFHSA-N 0 0 193.221 2.401 10 30 AEEERN C#C[C@@H](CCC)Oc1ccnc(F)c1 1226788510 764386378 /nfs/dbraw/zinc/38/63/78/764386378.db2.gz RJULLOLMNUNMFE-VIFPVBQESA-N 0 0 193.221 2.401 10 30 AEEERN C#C[C@@H](C)Oc1nc(Cl)ccc1F 1227878358 764442129 /nfs/dbraw/zinc/44/21/29/764442129.db2.gz ATDYSCBCXVZVDR-ZCFIWIBFSA-N 0 0 199.612 2.275 10 30 AEEERN C#C[C@H](C)Oc1nc(Cl)ccc1F 1227878356 764443110 /nfs/dbraw/zinc/44/31/10/764443110.db2.gz ATDYSCBCXVZVDR-LURJTMIESA-N 0 0 199.612 2.275 10 30 AEEERN C=CCC(CC=C)Oc1cnn(C)c1 1231180724 764527362 /nfs/dbraw/zinc/52/73/62/764527362.db2.gz UGKZJORCPWNIJL-UHFFFAOYSA-N 0 0 192.262 2.320 10 30 AEEERN C=C1CN(C(=O)NCC(C)(C)CC)C1 1234073717 764573874 /nfs/dbraw/zinc/57/38/74/764573874.db2.gz SMAITKMNMWXGAB-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CC[C@@H](C)Oc1nccc(Cl)n1 1234533469 764575969 /nfs/dbraw/zinc/57/59/69/764575969.db2.gz CXPCMUUIWNRGJB-SSDOTTSWSA-N 0 0 198.653 2.473 10 30 AEEERN C=C[C@H](C)Oc1nccc(Cl)n1 1234534633 764577069 /nfs/dbraw/zinc/57/70/69/764577069.db2.gz OVUWWMFQVMCJHA-LURJTMIESA-N 0 0 184.626 2.083 10 30 AEEERN C=C[C@@H](C)Oc1nccc(Cl)n1 1234534634 764577418 /nfs/dbraw/zinc/57/74/18/764577418.db2.gz OVUWWMFQVMCJHA-ZCFIWIBFSA-N 0 0 184.626 2.083 10 30 AEEERN C=C(C)c1ncccc1F 1240831145 764892839 /nfs/dbraw/zinc/89/28/39/764892839.db2.gz UESNRSAFXZFSDO-UHFFFAOYSA-N 0 0 137.157 2.254 10 30 AEEERN C=C(C)c1ccncc1F 1240834709 764924707 /nfs/dbraw/zinc/92/47/07/764924707.db2.gz IAACEYRBQXTCBQ-UHFFFAOYSA-N 0 0 137.157 2.254 10 30 AEEERN C=C(C)c1ccc(OC)c(F)n1 1240835610 764926633 /nfs/dbraw/zinc/92/66/33/764926633.db2.gz WZNHXGMISLXYAX-UHFFFAOYSA-N 0 0 167.183 2.262 10 30 AEEERN C=C(C)c1ccncc1C 1240835178 764927474 /nfs/dbraw/zinc/92/74/74/764927474.db2.gz VFFTUEOKYUZDEA-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C=C(C)c1cncc(C)c1 1240835169 764931159 /nfs/dbraw/zinc/93/11/59/764931159.db2.gz UMANCQCBYKDVCD-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C#CCc1ccc(OC)cc1C 1249946194 765396742 /nfs/dbraw/zinc/39/67/42/765396742.db2.gz NHQBOFUZIAANOP-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1cccc(F)c1C 1249946297 765396816 /nfs/dbraw/zinc/39/68/16/765396816.db2.gz TYJWFRUZXUAAOG-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1cscc1C 1249947367 765396828 /nfs/dbraw/zinc/39/68/28/765396828.db2.gz DBBUSTLTDHTHAH-UHFFFAOYSA-N 0 0 136.219 2.232 10 30 AEEERN C#CCc1ccc(F)c(C)c1 1249947389 765396839 /nfs/dbraw/zinc/39/68/39/765396839.db2.gz FOLBOTUVRFAWDY-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1c(F)cc(OC)cc1F 1249947402 765396900 /nfs/dbraw/zinc/39/69/00/765396900.db2.gz GHZYSBQSTCTEIJ-UHFFFAOYSA-N 0 0 182.169 2.149 10 30 AEEERN C#CCc1ccc2[nH]ccc2c1 1249946352 765397073 /nfs/dbraw/zinc/39/70/73/765397073.db2.gz WINVFXSYARLMHF-UHFFFAOYSA-N 0 0 155.200 2.344 10 30 AEEERN C#CCc1cc(C)ccc1OC 1249946228 765397083 /nfs/dbraw/zinc/39/70/83/765397083.db2.gz OWPJQBXEEKOPOK-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1ccc(C)c(F)c1 1249946042 765397275 /nfs/dbraw/zinc/39/72/75/765397275.db2.gz DBFBUTCJQBMJCK-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1cc(F)ccc1F 1249946304 765397319 /nfs/dbraw/zinc/39/73/19/765397319.db2.gz UHRPZJXRDVLHNP-UHFFFAOYSA-N 0 0 152.143 2.141 10 30 AEEERN C#CCc1ccccc1CC 1249946373 765397323 /nfs/dbraw/zinc/39/73/23/765397323.db2.gz XZZBUYKLVQPSJL-UHFFFAOYSA-N 0 0 144.217 2.425 10 30 AEEERN C#CCc1cccc(F)c1F 1249946007 765397341 /nfs/dbraw/zinc/39/73/41/765397341.db2.gz AFJZCFIKTAGJQJ-UHFFFAOYSA-N 0 0 152.143 2.141 10 30 AEEERN C#CCc1ccc(F)c(OC)c1 1249947465 765397419 /nfs/dbraw/zinc/39/74/19/765397419.db2.gz HHEKBSLICQHDDO-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1cc(C)cc(C)c1 1249946345 765397588 /nfs/dbraw/zinc/39/75/88/765397588.db2.gz VWTNLVGJKMAARE-UHFFFAOYSA-N 0 0 144.217 2.479 10 30 AEEERN C#CCc1ccc2c(ccn2C)c1 1249946189 765397917 /nfs/dbraw/zinc/39/79/17/765397917.db2.gz MVIQVISIGLERGQ-UHFFFAOYSA-N 0 0 169.227 2.354 10 30 AEEERN C#CCc1cccc2cnccc12 1249946128 765397852 /nfs/dbraw/zinc/39/78/52/765397852.db2.gz JEVHRKYWVWIGEX-UHFFFAOYSA-N 0 0 167.211 2.411 10 30 AEEERN C#CCc1cc(C)ccc1F 1249946363 765397954 /nfs/dbraw/zinc/39/79/54/765397954.db2.gz WZFBSPNFPYUHDS-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1ccc(F)c(F)c1F 1249946103 765398042 /nfs/dbraw/zinc/39/80/42/765398042.db2.gz HXSRZSMSSZEZCN-UHFFFAOYSA-N 0 0 170.133 2.280 10 30 AEEERN C#CCc1cccc2[nH]ccc12 1249946299 765398078 /nfs/dbraw/zinc/39/80/78/765398078.db2.gz UENKIRFIUOCOLT-UHFFFAOYSA-N 0 0 155.200 2.344 10 30 AEEERN C#CCc1cc(C)c(OC)c(C)c1 1249946049 765398121 /nfs/dbraw/zinc/39/81/21/765398121.db2.gz DLDCAFWGXGQFPD-UHFFFAOYSA-N 0 0 174.243 2.488 10 30 AEEERN C#CCc1cc(F)c(F)c(F)c1 1249946139 765398132 /nfs/dbraw/zinc/39/81/32/765398132.db2.gz JYIOPJYDIAZVCL-UHFFFAOYSA-N 0 0 170.133 2.280 10 30 AEEERN C#CCc1cnn(Cc2ccccc2)c1 1249946305 765398150 /nfs/dbraw/zinc/39/81/50/765398150.db2.gz UHZGSIOQPQTCFL-UHFFFAOYSA-N 0 0 196.253 2.107 10 30 AEEERN C#CCc1c(F)ccc(F)c1F 1249946396 765398165 /nfs/dbraw/zinc/39/81/65/765398165.db2.gz ZHARJQPSWZUZQV-UHFFFAOYSA-N 0 0 170.133 2.280 10 30 AEEERN C#CCc1cccc(COC)c1 1249946385 765398313 /nfs/dbraw/zinc/39/83/13/765398313.db2.gz YSJBCILFBLPMGF-UHFFFAOYSA-N 0 0 160.216 2.009 10 30 AEEERN C#CCc1ccc2cc[nH]c2c1 1249946282 765398332 /nfs/dbraw/zinc/39/83/32/765398332.db2.gz RYVWLSDYNBULLZ-UHFFFAOYSA-N 0 0 155.200 2.344 10 30 AEEERN C#CCc1ccc(C)c(OC)c1 1249946285 765398474 /nfs/dbraw/zinc/39/84/74/765398474.db2.gz SIQWXVJAYQYSTH-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1ccc(COC)cc1 1249946329 765398519 /nfs/dbraw/zinc/39/85/19/765398519.db2.gz VGEWTJUXPYZLQI-UHFFFAOYSA-N 0 0 160.216 2.009 10 30 AEEERN C#CCc1cc(F)ccc1OC 1249946278 765398589 /nfs/dbraw/zinc/39/85/89/765398589.db2.gz RUMSTXVTMHSQNS-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1c(F)cccc1OC 1249946237 765398659 /nfs/dbraw/zinc/39/86/59/765398659.db2.gz PGTQLXWXWBHHCT-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1cc(F)c(F)cc1F 1249947388 765398640 /nfs/dbraw/zinc/39/86/40/765398640.db2.gz FMNZDWCHQRNYKF-UHFFFAOYSA-N 0 0 170.133 2.280 10 30 AEEERN C#CCc1ccc(OC)c(C)c1 1249946349 765398744 /nfs/dbraw/zinc/39/87/44/765398744.db2.gz WDROVSJTAFQSHX-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1ccc(OC)cc1F 1249946096 765398805 /nfs/dbraw/zinc/39/88/05/765398805.db2.gz HIHOKFZHQGOYKR-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1ccc2ccn(C)c2c1 1249946175 765398824 /nfs/dbraw/zinc/39/88/24/765398824.db2.gz LZSJBCFMUTZFOO-UHFFFAOYSA-N 0 0 169.227 2.354 10 30 AEEERN C#CCc1ccc(F)cc1C 1249946078 765398831 /nfs/dbraw/zinc/39/88/31/765398831.db2.gz GFHABUKLZVROCG-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1cc(C)cc(F)c1 1249946298 765398838 /nfs/dbraw/zinc/39/88/38/765398838.db2.gz TZTSFHHIDUWKAL-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1ccc(C)cc1F 1249947201 765398891 /nfs/dbraw/zinc/39/88/91/765398891.db2.gz APLASTNFZRHYJU-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1cc(F)ccc1C 1249946154 765398917 /nfs/dbraw/zinc/39/89/17/765398917.db2.gz KYIGDJCKEWDXST-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1ccc(F)cc1OC 1249946257 765398955 /nfs/dbraw/zinc/39/89/55/765398955.db2.gz QNPZOKFYZDOFKT-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1ccccc1OCC 1249946365 765399071 /nfs/dbraw/zinc/39/90/71/765399071.db2.gz XMYJXKKBQXLBKN-UHFFFAOYSA-N 0 0 160.216 2.261 10 30 AEEERN C#CCc1ccc(OC)c(F)c1 1249946206 765399296 /nfs/dbraw/zinc/39/92/96/765399296.db2.gz NQUURVJXLVMTQS-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1cccc(C)c1OC 1249948750 765399958 /nfs/dbraw/zinc/39/99/58/765399958.db2.gz DRUAMUXHLHUOIF-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1cc(F)c(C)cc1F 1249948733 765400422 /nfs/dbraw/zinc/40/04/22/765400422.db2.gz CQUDTLFFFQULEU-UHFFFAOYSA-N 0 0 166.170 2.449 10 30 AEEERN C#CCc1ccccc1OC(F)F 1249948036 765401156 /nfs/dbraw/zinc/40/11/56/765401156.db2.gz PKGCUDRRAGJWMR-UHFFFAOYSA-N 0 0 182.169 2.464 10 30 AEEERN C#CCc1cc(C)c(C)cc1OC 1249948705 765401254 /nfs/dbraw/zinc/40/12/54/765401254.db2.gz ATHJWWVTSMQCMF-UHFFFAOYSA-N 0 0 174.243 2.488 10 30 AEEERN C#CCc1cn(C)c2ccccc12 1249947957 765401418 /nfs/dbraw/zinc/40/14/18/765401418.db2.gz MOJCOUFOWPARQV-UHFFFAOYSA-N 0 0 169.227 2.354 10 30 AEEERN C#CCc1cccc(OC)c1C 1249948861 765402037 /nfs/dbraw/zinc/40/20/37/765402037.db2.gz KNHWGENAYSCZBN-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1c(F)cc(F)cc1F 1249947979 765402253 /nfs/dbraw/zinc/40/22/53/765402253.db2.gz NXFDWFUSWFKSPZ-UHFFFAOYSA-N 0 0 170.133 2.280 10 30 AEEERN C#CCc1ccc(O)cc1Cl 1249948726 765402268 /nfs/dbraw/zinc/40/22/68/765402268.db2.gz CCHMFOZPHJYXDX-UHFFFAOYSA-N 0 0 166.607 2.221 10 30 AEEERN C#CCc1ccc(-n2cccn2)cc1 1249948398 765402725 /nfs/dbraw/zinc/40/27/25/765402725.db2.gz WXTSOXQLVHAHPP-UHFFFAOYSA-N 0 0 182.226 2.048 10 30 AEEERN C#CCc1cccc2c1ccn2C 1249948344 765402924 /nfs/dbraw/zinc/40/29/24/765402924.db2.gz UJQKOYWUQXNEMD-UHFFFAOYSA-N 0 0 169.227 2.354 10 30 AEEERN C#CCc1cccc(OCC)c1 1249947963 765403224 /nfs/dbraw/zinc/40/32/24/765403224.db2.gz MYGLTOYDTGCDOL-UHFFFAOYSA-N 0 0 160.216 2.261 10 30 AEEERN C#CCc1cnn(-c2ccccc2)c1 1249948448 765403279 /nfs/dbraw/zinc/40/32/79/765403279.db2.gz ZRRQPIRAFJJLSD-UHFFFAOYSA-N 0 0 182.226 2.048 10 30 AEEERN C#CCc1ccccc1N1CCCC1 1249949152 765404564 /nfs/dbraw/zinc/40/45/64/765404564.db2.gz DJVLMMQOIQMMLS-UHFFFAOYSA-N 0 0 185.270 2.463 10 30 AEEERN C#CCc1c(F)cc(C)cc1OC 1249949255 765404568 /nfs/dbraw/zinc/40/45/68/765404568.db2.gz UWGWTUGGFRSJNQ-UHFFFAOYSA-N 0 0 178.206 2.318 10 30 AEEERN C#CCc1ccncc1C(F)(F)F 1249949222 765404570 /nfs/dbraw/zinc/40/45/70/765404570.db2.gz SDHSXKZYICIKSV-UHFFFAOYSA-N 0 0 185.148 2.276 10 30 AEEERN C#CCc1c(O)cccc1Cl 1249949508 765404624 /nfs/dbraw/zinc/40/46/24/765404624.db2.gz ZUAVAGYXHNTOIQ-UHFFFAOYSA-N 0 0 166.607 2.221 10 30 AEEERN C#CCc1ccccc1-n1cccn1 1249949424 765404615 /nfs/dbraw/zinc/40/46/15/765404615.db2.gz KDRJOCPISNXPQG-UHFFFAOYSA-N 0 0 182.226 2.048 10 30 AEEERN C#CCc1cc(C)c(O)c(C)c1 1249949304 765404657 /nfs/dbraw/zinc/40/46/57/765404657.db2.gz HGOPZRCUJWROHO-UHFFFAOYSA-N 0 0 160.216 2.185 10 30 AEEERN C#CCc1cc(C)oc1C 1249949835 765407708 /nfs/dbraw/zinc/40/77/08/765407708.db2.gz SVZONHBBOQNQBZ-UHFFFAOYSA-N 0 0 134.178 2.072 10 30 AEEERN C#CCc1cc(Cl)ccc1O 1249949456 765405335 /nfs/dbraw/zinc/40/53/35/765405335.db2.gz YHQNRPZVFTZTTF-UHFFFAOYSA-N 0 0 166.607 2.221 10 30 AEEERN C#CCc1cccc(Cl)c1O 1249949376 765405504 /nfs/dbraw/zinc/40/55/04/765405504.db2.gz JGYNQYZSVUEMEP-UHFFFAOYSA-N 0 0 166.607 2.221 10 30 AEEERN C#CCc1ccc(OC(F)F)cc1 1249949334 765405788 /nfs/dbraw/zinc/40/57/88/765405788.db2.gz HUNGSYZBCCXBJR-UHFFFAOYSA-N 0 0 182.169 2.464 10 30 AEEERN C#CCc1cnccc1C(F)(F)F 1249949102 765405845 /nfs/dbraw/zinc/40/58/45/765405845.db2.gz AVYPJNPRBUCLIQ-UHFFFAOYSA-N 0 0 185.148 2.276 10 30 AEEERN C#CCc1ccc(F)c(F)c1OC 1249949452 765406740 /nfs/dbraw/zinc/40/67/40/765406740.db2.gz KKLXAAMKUYIOGX-UHFFFAOYSA-N 0 0 182.169 2.149 10 30 AEEERN C#CCc1cc(F)cc(F)c1OC 1249949425 765406754 /nfs/dbraw/zinc/40/67/54/765406754.db2.gz KFFDAFIEKGEVOW-UHFFFAOYSA-N 0 0 182.169 2.149 10 30 AEEERN C#CCc1cccc(F)c1OC 1249949730 765407339 /nfs/dbraw/zinc/40/73/39/765407339.db2.gz ORWIHCLDVXYPDP-UHFFFAOYSA-N 0 0 164.179 2.010 10 30 AEEERN C#CCc1cccnc1C(F)(F)F 1249949672 765407420 /nfs/dbraw/zinc/40/74/20/765407420.db2.gz NRHJXSXGMLOAIL-UHFFFAOYSA-N 0 0 185.148 2.276 10 30 AEEERN C#CCc1cccc2cc[nH]c12 1249949935 765407954 /nfs/dbraw/zinc/40/79/54/765407954.db2.gz XMDMXIZDCSGJQS-UHFFFAOYSA-N 0 0 155.200 2.344 10 30 AEEERN C#CCc1ccc(OC)c(OCC)c1 1249949813 765408279 /nfs/dbraw/zinc/40/82/79/765408279.db2.gz RUCIADBMYRIBDK-UHFFFAOYSA-N 0 0 190.242 2.270 10 30 AEEERN C#CCc1cccc(C)c1F 1249949860 765408327 /nfs/dbraw/zinc/40/83/27/765408327.db2.gz VDFPVLLEXOWTCC-UHFFFAOYSA-N 0 0 148.180 2.310 10 30 AEEERN C#CCc1ccc2cccnc2c1 1249949852 765408369 /nfs/dbraw/zinc/40/83/69/765408369.db2.gz ULZIUFCTXIWFIC-UHFFFAOYSA-N 0 0 167.211 2.411 10 30 AEEERN C#CCc1cc2ccccc2n1C 1249949846 765408475 /nfs/dbraw/zinc/40/84/75/765408475.db2.gz UHHJJSMJHBFMEU-UHFFFAOYSA-N 0 0 169.227 2.354 10 30 AEEERN C#CCc1ccc(C)cc1OC 1249949952 765408776 /nfs/dbraw/zinc/40/87/76/765408776.db2.gz XWTDLSRPKBGSTP-UHFFFAOYSA-N 0 0 160.216 2.179 10 30 AEEERN C#CCc1cccc(OC(F)F)c1 1249949717 765409393 /nfs/dbraw/zinc/40/93/93/765409393.db2.gz OPHGITYVXBNJGI-UHFFFAOYSA-N 0 0 182.169 2.464 10 30 AEEERN C#CCc1ccc(Cl)cc1O 1249949888 765409794 /nfs/dbraw/zinc/40/97/94/765409794.db2.gz WCLWZGUKDQQXSQ-UHFFFAOYSA-N 0 0 166.607 2.221 10 30 AEEERN C#CCc1cc(F)c(F)cc1OC 1249950000 765410323 /nfs/dbraw/zinc/41/03/23/765410323.db2.gz ZOMYVZHGOUHZAF-UHFFFAOYSA-N 0 0 182.169 2.149 10 30 AEEERN C=CCc1ccc2cnn(C)c2c1 1249953009 765413289 /nfs/dbraw/zinc/41/32/89/765413289.db2.gz SVEROSWFOIJBOR-UHFFFAOYSA-N 0 0 172.231 2.302 10 30 AEEERN CN(C)c1cccc(CCC#N)c1 1250054594 766897299 /nfs/dbraw/zinc/89/72/99/766897299.db2.gz MCGSUYIUMDKJOM-UHFFFAOYSA-N 0 0 174.247 2.209 10 30 AEEERN CC(=O)Nc1cccc(CCC#N)c1 1250054954 766897655 /nfs/dbraw/zinc/89/76/55/766897655.db2.gz XEOQMWFNTKMIQP-UHFFFAOYSA-N 0 0 188.230 2.101 10 30 AEEERN N#CCCc1cnn(-c2ccccc2)c1 1250054951 766898038 /nfs/dbraw/zinc/89/80/38/766898038.db2.gz WWCMQDOGNJZYLA-UHFFFAOYSA-N 0 0 197.241 2.328 10 30 AEEERN C#Cc1ccc(CCC#N)cc1 1250056270 766898125 /nfs/dbraw/zinc/89/81/25/766898125.db2.gz LYTZPMCPAHTUNB-UHFFFAOYSA-N 0 0 155.200 2.124 10 30 AEEERN N#CCCc1ccc(-n2cccn2)cc1 1250054841 766898350 /nfs/dbraw/zinc/89/83/50/766898350.db2.gz SGTMGRBEBUFEJX-UHFFFAOYSA-N 0 0 197.241 2.328 10 30 AEEERN C#Cc1cccc(CCC#N)c1 1250056491 766898819 /nfs/dbraw/zinc/89/88/19/766898819.db2.gz VEOFLDXSPKAWPG-UHFFFAOYSA-N 0 0 155.200 2.124 10 30 AEEERN C=C(C)Cc1ccc(F)cn1 1250241617 767004139 /nfs/dbraw/zinc/00/41/39/767004139.db2.gz XMMDHZLZMFKONW-UHFFFAOYSA-N 0 0 151.184 2.339 10 30 AEEERN C=C(C)Cc1ncccc1F 1250244313 767008050 /nfs/dbraw/zinc/00/80/50/767008050.db2.gz SXJKLCGUZUTIJF-UHFFFAOYSA-N 0 0 151.184 2.339 10 30 AEEERN C=C(C)Cc1cnc2c(cnn2C)c1 1250246767 767010418 /nfs/dbraw/zinc/01/04/18/767010418.db2.gz VPGIVDGNNJCYAG-UHFFFAOYSA-N 0 0 187.246 2.087 10 30 AEEERN C#Cc1ccc(-c2ncccn2)cc1 1250445193 767055737 /nfs/dbraw/zinc/05/57/37/767055737.db2.gz KWSKNCWIOHMUIH-UHFFFAOYSA-N 0 0 180.210 2.125 10 30 AEEERN C=C(C)c1cccnc1F 1250484417 767060982 /nfs/dbraw/zinc/06/09/82/767060982.db2.gz UEWWWSQSNUCSHH-UHFFFAOYSA-N 0 0 137.157 2.254 10 30 AEEERN N#Cc1cc(-c2cn[nH]c2)ccc1F 1250635264 767078001 /nfs/dbraw/zinc/07/80/01/767078001.db2.gz VWGIQHHAUOZCHG-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN C=C[C@@H](O)CNc1cccc(Cl)c1 1253564072 767218604 /nfs/dbraw/zinc/21/86/04/767218604.db2.gz AIHQDFRNZLBEEE-SNVBAGLBSA-N 0 0 197.665 2.299 10 30 AEEERN C=C[C@H](O)CNc1cccc(Cl)c1 1253564069 767218890 /nfs/dbraw/zinc/21/88/90/767218890.db2.gz AIHQDFRNZLBEEE-JTQLQIEISA-N 0 0 197.665 2.299 10 30 AEEERN C=C[C@@H](O)CNc1ccc(Cl)cc1 1253566135 767220609 /nfs/dbraw/zinc/22/06/09/767220609.db2.gz VWAQOEKZWLPKEN-SNVBAGLBSA-N 0 0 197.665 2.299 10 30 AEEERN C=C[C@H](O)CNc1ccccc1Cl 1253565883 767220919 /nfs/dbraw/zinc/22/09/19/767220919.db2.gz UFQPOJQEBPSQMZ-QMMMGPOBSA-N 0 0 197.665 2.299 10 30 AEEERN C=C[C@H](O)CNc1ccc(Cl)cc1 1253566133 767222607 /nfs/dbraw/zinc/22/26/07/767222607.db2.gz VWAQOEKZWLPKEN-JTQLQIEISA-N 0 0 197.665 2.299 10 30 AEEERN C=C[C@@H](O)CNc1ccccc1Cl 1253565881 767223906 /nfs/dbraw/zinc/22/39/06/767223906.db2.gz UFQPOJQEBPSQMZ-MRVPVSSYSA-N 0 0 197.665 2.299 10 30 AEEERN CC#CC#CCc1ccccc1 56874285 560083191 /nfs/dbraw/zinc/08/31/91/560083191.db2.gz WXQYRBLGGSLJHA-UHFFFAOYSA-N 0 0 154.212 2.256 10 30 endogenous,in-man AEEERN CC1(C)[C@@H]2CC[C@@H](C=O)[C@H]1C2 34566862 560087189 /nfs/dbraw/zinc/08/71/89/560087189.db2.gz OOCLVMCVOWKECB-DJLDLDEBSA-N 0 0 152.237 2.258 10 30 biogenic,in-vitro AEEERN C=C(C)/C=C/[C@@H](CO)C(=C)C 33832025 560088537 /nfs/dbraw/zinc/08/85/37/560088537.db2.gz KBVFHOKBXAUWHI-PORFMDCZSA-N 0 0 152.237 2.303 10 30 biogenic,in-vitro AEEERN CC(C)[C@@H]1C=C[C@]2(C)O[C@@H]2C1 32164898 560089336 /nfs/dbraw/zinc/08/93/36/560089336.db2.gz YYOYQZIEGSUHQG-BBBLOLIVSA-N 0 0 152.237 2.376 10 30 biogenic AEEERN C=C(C)c1ccc(O)c(OC)c1 3860528 560190230 /nfs/dbraw/zinc/19/02/30/560190230.db2.gz UVMRYBDEERADNV-UHFFFAOYSA-N 0 0 164.204 2.434 10 30 biogenic,in-vitro AEEERN C=C(C)[C@H]1CC[C@H](C)C(=O)OC1 4099112 560196413 /nfs/dbraw/zinc/19/64/13/560196413.db2.gz BBKYOZJVRPOMGL-IUCAKERBSA-N 0 0 168.236 2.152 10 30 in-vitro AEEERN C=C(C)[C@@H]1CC[C@H](C)C(=O)OC1 4099106 560196421 /nfs/dbraw/zinc/19/64/21/560196421.db2.gz BBKYOZJVRPOMGL-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 in-vitro AEEERN C=C(C)[C@@H]1CC[C@@H](C)OC(=O)C1 4099105 560196425 /nfs/dbraw/zinc/19/64/25/560196425.db2.gz DNWZWUWUDAGNJB-RKDXNWHRSA-N 0 0 168.236 2.294 10 30 in-vitro AEEERN C=C(C)[C@H]1CC[C@@H](C)OC(=O)C1 4099109 560196435 /nfs/dbraw/zinc/19/64/35/560196435.db2.gz DNWZWUWUDAGNJB-BDAKNGLRSA-N 0 0 168.236 2.294 10 30 in-vitro AEEERN CCC(=O)C1=C(C)C[C@H](O)CC1(C)C 13410824 560216382 /nfs/dbraw/zinc/21/63/82/560216382.db2.gz AWEBWMVKWDSYSS-VIFPVBQESA-N 0 0 196.290 2.463 10 30 biogenic,in-vitro AEEERN C=CCc1ccc2c(c1OC)OCO2 13411094 560216593 /nfs/dbraw/zinc/21/65/93/560216593.db2.gz VGXJTTXSNPYTSK-UHFFFAOYSA-N 0 0 192.214 2.152 10 30 biogenic,in-vitro AEEERN C=C(C)[C@H]1Cc2ccc(O)cc2O1 13462934 560217137 /nfs/dbraw/zinc/21/71/37/560217137.db2.gz NUDTXQJCDWVIJC-SNVBAGLBSA-N 0 0 176.215 2.272 10 30 biogenic,in-vitro AEEERN CC1CC[C@@H](C(C)C)C(=O)C1=O 14488027 560221787 /nfs/dbraw/zinc/22/17/87/560221787.db2.gz QSIMLPCPCXVYDD-QMMMGPOBSA-N 0 0 168.236 2.454 10 30 biogenic,in-vitro AEEERN C[C@H](O)CC#CCc1ccccc1 14651968 560223970 /nfs/dbraw/zinc/22/39/70/560223970.db2.gz WWNYBNQWIHBNIE-NSHDSACASA-N 0 0 174.243 2.003 10 30 biogenic,in-vitro AEEERN N#Cc1ncc(-c2cccc(F)c2)cn1 32234535 1169064269 /nfs/dbraw/zinc/06/42/69/1169064269.db2.gz VDDJXTBKOJURLS-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C#C[C@H](OC)c1ccccc1 32137164 1169064756 /nfs/dbraw/zinc/06/47/56/1169064756.db2.gz BUHKAOPBZBSTSX-JTQLQIEISA-N 0 0 146.189 2.007 10 30 AEEERN C#C[C@@H](OC)c1ccccc1 32137165 1169065209 /nfs/dbraw/zinc/06/52/09/1169065209.db2.gz BUHKAOPBZBSTSX-SNVBAGLBSA-N 0 0 146.189 2.007 10 30 AEEERN N#Cc1nccc(-c2ccc(F)cc2)n1 32234405 1169065934 /nfs/dbraw/zinc/06/59/34/1169065934.db2.gz AVDFWALSDCMETF-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C#CC[N@@H+](C)Cc1c[nH]c2ccccc12 31570970 1169065962 /nfs/dbraw/zinc/06/59/62/1169065962.db2.gz LRXPYCZVVIRGRT-UHFFFAOYSA-N 0 0 198.269 2.233 10 30 AEEERN N#CCCCCNc1ccc(O)cc1 34306308 1169067853 /nfs/dbraw/zinc/06/78/53/1169067853.db2.gz KAOPDNLLCGCWQP-UHFFFAOYSA-N 0 0 190.246 2.498 10 30 AEEERN C#C[C@H](C)OCc1ccccc1 33914910 1169068384 /nfs/dbraw/zinc/06/83/84/1169068384.db2.gz LJCJDCHOKLCFEJ-JTQLQIEISA-N 0 0 160.216 2.225 10 30 AEEERN C=CC[C@@H](OCCO)c1ccccc1 34216607 1169068404 /nfs/dbraw/zinc/06/84/04/1169068404.db2.gz MJZZSXPXDVRODZ-GFCCVEGCSA-N 0 0 192.258 2.313 10 30 AEEERN C=CC[C@H](OCCO)c1ccccc1 34216606 1169070583 /nfs/dbraw/zinc/07/05/83/1169070583.db2.gz MJZZSXPXDVRODZ-LBPRGKRZSA-N 0 0 192.258 2.313 10 30 AEEERN N#Cc1ccc(Nc2cccnn2)cc1 34480552 1169071856 /nfs/dbraw/zinc/07/18/56/1169071856.db2.gz KYCOQYCXHBMFJA-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN CCCCOC1=C(C)O[C@@H](C)C1=O 34479891 1169073008 /nfs/dbraw/zinc/07/30/08/1169073008.db2.gz SQHHYGNRSINKBH-ZETCQYMHSA-N 0 0 184.235 2.022 10 30 AEEERN CC(C)=CCCC#N 36436717 1169073381 /nfs/dbraw/zinc/07/33/81/1169073381.db2.gz AMMLKWMWRWHTEL-UHFFFAOYSA-N 0 0 109.172 2.256 10 30 AEEERN C=C(CC(=O)OC)c1ccccc1 36404406 1169073905 /nfs/dbraw/zinc/07/39/05/1169073905.db2.gz CDFURAWOUYUFMW-UHFFFAOYSA-N 0 0 176.215 2.263 10 30 AEEERN CCC[C@](C)(C#N)N[C@H](C)CC 38064385 1169077081 /nfs/dbraw/zinc/07/70/81/1169077081.db2.gz XDQIRRPXJZHDCQ-NXEZZACHSA-N 0 0 168.284 2.457 10 30 AEEERN CC[C@H](C)N[C@@](C)(C#N)CC 38064401 1169077262 /nfs/dbraw/zinc/07/72/62/1169077262.db2.gz ADYUXBBODNHTRV-DTWKUNHWSA-N 0 0 154.257 2.067 10 30 AEEERN CC[C@](C)(C#N)NC(=O)OCC(C)C 40361846 1169086094 /nfs/dbraw/zinc/08/60/94/1169086094.db2.gz AKDCIMOCCGOBKR-SNVBAGLBSA-N 0 0 198.266 2.061 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)CC(C)C 38064718 1169077738 /nfs/dbraw/zinc/07/77/38/1169077738.db2.gz GWRPGTALIKVTHR-NXEZZACHSA-N 0 0 168.284 2.313 10 30 AEEERN CC[C@@H](C)NC(C#N)(CC)CC 38064344 1169077759 /nfs/dbraw/zinc/07/77/59/1169077759.db2.gz FVQOKWOIUMJBEL-SECBINFHSA-N 0 0 168.284 2.457 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)CC(C)C 38064716 1169077781 /nfs/dbraw/zinc/07/77/81/1169077781.db2.gz GWRPGTALIKVTHR-ZJUUUORDSA-N 0 0 168.284 2.313 10 30 AEEERN COCCC1=CC(=O)CC(C)(C)C1 39233004 1169082410 /nfs/dbraw/zinc/08/24/10/1169082410.db2.gz MUSNKCSJWKYKPG-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN CC[C@@H](C)N[C@](C)(C#N)CC 38064398 1169078486 /nfs/dbraw/zinc/07/84/86/1169078486.db2.gz ADYUXBBODNHTRV-BDAKNGLRSA-N 0 0 154.257 2.067 10 30 AEEERN CC[C@H](C)N[C@H](C#N)CC(C)C 38064717 1169078736 /nfs/dbraw/zinc/07/87/36/1169078736.db2.gz GWRPGTALIKVTHR-UWVGGRQHSA-N 0 0 168.284 2.313 10 30 AEEERN CCC[C@](C)(C#N)N[C@@H](C)CC 38064383 1169078946 /nfs/dbraw/zinc/07/89/46/1169078946.db2.gz XDQIRRPXJZHDCQ-VHSXEESVSA-N 0 0 168.284 2.457 10 30 AEEERN CC[C@H](C)NC(C#N)(CC)CC 38064345 1169079052 /nfs/dbraw/zinc/07/90/52/1169079052.db2.gz FVQOKWOIUMJBEL-VIFPVBQESA-N 0 0 168.284 2.457 10 30 AEEERN CC(C)C[C@@H](C#N)NC1CCCC1 37968494 1169079915 /nfs/dbraw/zinc/07/99/15/1169079915.db2.gz WFHCKXVSCDNBCI-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN CCCC#CC(=O)Nc1ccccc1 38292914 1169079997 /nfs/dbraw/zinc/07/99/97/1169079997.db2.gz DWJRSSVNZIGMGD-UHFFFAOYSA-N 0 0 187.242 2.429 10 30 AEEERN CC(C)C[C@H](C#N)NC1CCCC1 37968495 1169080590 /nfs/dbraw/zinc/08/05/90/1169080590.db2.gz WFHCKXVSCDNBCI-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CCC[C@@](C)(C#N)N[C@@H](C)CC 38064382 1169081145 /nfs/dbraw/zinc/08/11/45/1169081145.db2.gz XDQIRRPXJZHDCQ-UWVGGRQHSA-N 0 0 168.284 2.457 10 30 AEEERN CC[C@@H](C)N[C@@](C)(C#N)CC 38064400 1169081251 /nfs/dbraw/zinc/08/12/51/1169081251.db2.gz ADYUXBBODNHTRV-RKDXNWHRSA-N 0 0 154.257 2.067 10 30 AEEERN CC[C@H](C)N[C@](C)(C#N)CC 38064399 1169081397 /nfs/dbraw/zinc/08/13/97/1169081397.db2.gz ADYUXBBODNHTRV-IUCAKERBSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@@](C)(C#N)N[C@H](C)CC 38064384 1169081499 /nfs/dbraw/zinc/08/14/99/1169081499.db2.gz XDQIRRPXJZHDCQ-ZJUUUORDSA-N 0 0 168.284 2.457 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)CC(C)C 38064719 1169081667 /nfs/dbraw/zinc/08/16/67/1169081667.db2.gz GWRPGTALIKVTHR-VHSXEESVSA-N 0 0 168.284 2.313 10 30 AEEERN C#CCNc1ccccc1C=C 39184724 1169082059 /nfs/dbraw/zinc/08/20/59/1169082059.db2.gz IKJQSMVKSVTELS-UHFFFAOYSA-N 0 0 157.216 2.375 10 30 AEEERN C=CCCC[C@@H](C)NC(=O)C=C 39147680 1169083653 /nfs/dbraw/zinc/08/36/53/1169083653.db2.gz HQZOQAOHUZUCCF-SECBINFHSA-N 0 0 167.252 2.033 10 30 AEEERN C#C[C@H](C)Oc1ccccc1 39241033 1169084073 /nfs/dbraw/zinc/08/40/73/1169084073.db2.gz SQTYUDHPJGXEFH-VIFPVBQESA-N 0 0 146.189 2.087 10 30 AEEERN C=CCCC[C@H](C)NC(=O)C=C 39147679 1169084157 /nfs/dbraw/zinc/08/41/57/1169084157.db2.gz HQZOQAOHUZUCCF-VIFPVBQESA-N 0 0 167.252 2.033 10 30 AEEERN C=C[C@@H](NC(=O)OC)c1ccccc1 39168847 1169084324 /nfs/dbraw/zinc/08/43/24/1169084324.db2.gz FLUFWTHOIZWRBD-SNVBAGLBSA-N 0 0 191.230 2.270 10 30 AEEERN C#C[C@@H](C)Oc1ccccc1 39241034 1169084645 /nfs/dbraw/zinc/08/46/45/1169084645.db2.gz SQTYUDHPJGXEFH-SECBINFHSA-N 0 0 146.189 2.087 10 30 AEEERN N#Cc1ccnc(-c2cccnc2)c1F 39140274 1169085204 /nfs/dbraw/zinc/08/52/04/1169085204.db2.gz ONOTWLIGJIEEQO-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CC[C@@](C)(C#N)NC(=O)OCC(C)C 40361844 1169086368 /nfs/dbraw/zinc/08/63/68/1169086368.db2.gz AKDCIMOCCGOBKR-JTQLQIEISA-N 0 0 198.266 2.061 10 30 AEEERN CC(C)Oc1ccc(C#N)c(C#N)c1 39343558 1169086341 /nfs/dbraw/zinc/08/63/41/1169086341.db2.gz ORSALJBXKVIZJL-UHFFFAOYSA-N 0 0 186.214 2.217 10 30 AEEERN C=C(C)C(=O)N(C(C)C)C(C)C 39347313 1169087703 /nfs/dbraw/zinc/08/77/03/1169087703.db2.gz VAASJZAOHDHRSY-UHFFFAOYSA-N 0 0 169.268 2.208 10 30 AEEERN N#CCc1nccnc1-c1ccccc1 39306996 1169088335 /nfs/dbraw/zinc/08/83/35/1169088335.db2.gz YTCDKNLPQUUDTH-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN N#Cc1ccc(-c2ccncc2)c(N)c1 47216319 1169090384 /nfs/dbraw/zinc/09/03/84/1169090384.db2.gz GHESKHIDIDPQKQ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1ncc(-c2ccncc2)cc1F 47216187 1169090475 /nfs/dbraw/zinc/09/04/75/1169090475.db2.gz YBNSWVCWZNBWGI-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN N#Cc1ccc(-c2cccnc2)c(N)c1 47216317 1169090553 /nfs/dbraw/zinc/09/05/53/1169090553.db2.gz IKQIASKMFWSWSU-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN Cc1cc(C#N)cnc1-c1cccnc1 47216189 1169090828 /nfs/dbraw/zinc/09/08/28/1169090828.db2.gz USADNNWKZZEYRU-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C#CCNc1ccc2ccccc2n1 47948274 1169090927 /nfs/dbraw/zinc/09/09/27/1169090927.db2.gz DPOQQVGTBJTTLE-UHFFFAOYSA-N 0 0 182.226 2.280 10 30 AEEERN N#Cc1ncc(-c2cccnc2)cc1F 47216185 1169091112 /nfs/dbraw/zinc/09/11/12/1169091112.db2.gz KRDCTVMFBNYZQB-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1cc(C#N)cnc1-c1ccncc1 47216191 1169091350 /nfs/dbraw/zinc/09/13/50/1169091350.db2.gz KRAKRFRDVLFZAQ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1cc(-c2ccncc2)ncc1C#N 47216194 1169091517 /nfs/dbraw/zinc/09/15/17/1169091517.db2.gz HIXJGPRXLNBGIK-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1cc(-c2cccnc2)ncc1C#N 47216192 1169091554 /nfs/dbraw/zinc/09/15/54/1169091554.db2.gz XTQVEPNVSFISSY-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1nnc(SCCCCC#N)o1 51038131 1169092826 /nfs/dbraw/zinc/09/28/26/1169092826.db2.gz HEZVSLSHBWDJIS-UHFFFAOYSA-N 0 0 197.263 2.164 10 30 AEEERN CC[C@@H](CC#N)NC(=O)OCC(C)C 54178171 1169095227 /nfs/dbraw/zinc/09/52/27/1169095227.db2.gz LKTCQUHYPCVNOA-VIFPVBQESA-N 0 0 198.266 2.061 10 30 AEEERN CC[C@H](CC#N)NC(=O)OCC(C)C 54178173 1169096155 /nfs/dbraw/zinc/09/61/55/1169096155.db2.gz LKTCQUHYPCVNOA-SECBINFHSA-N 0 0 198.266 2.061 10 30 AEEERN N#Cc1cccc(-c2ccccc2O)n1 60201303 1169100088 /nfs/dbraw/zinc/10/00/88/1169100088.db2.gz NJARLJHXVBQGIH-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=CCC1CCC1 80479601 1169104121 /nfs/dbraw/zinc/10/41/21/1169104121.db2.gz KSAULQKVBKDNFQ-UHFFFAOYSA-N 0 0 96.173 2.363 10 30 AEEERN Cc1ccc(CCC#N)cc1N 78970362 1169104355 /nfs/dbraw/zinc/10/43/55/1169104355.db2.gz OACPKFKRAUZBIM-UHFFFAOYSA-N 0 0 160.220 2.033 10 30 AEEERN C#CCC1=CCCC1 79720299 1169104660 /nfs/dbraw/zinc/10/46/60/1169104660.db2.gz GVEXXAXWYZBNQV-UHFFFAOYSA-N 0 0 106.168 2.120 10 30 AEEERN CC[C@@H](C)Oc1cccc(C#N)n1 81621394 1169107409 /nfs/dbraw/zinc/10/74/09/1169107409.db2.gz BXAUHEAYNLYORO-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CC[C@H](C)Oc1cccc(C#N)n1 81621396 1169107538 /nfs/dbraw/zinc/10/75/38/1169107538.db2.gz BXAUHEAYNLYORO-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN CCc1cc(C)ccc1C#N 82409074 1169110857 /nfs/dbraw/zinc/11/08/57/1169110857.db2.gz KHVGRMAPSIUGJE-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN C=C(C)CC(F)F 82168004 1169111058 /nfs/dbraw/zinc/11/10/58/1169111058.db2.gz NQRRDWDXLFTCKB-UHFFFAOYSA-N 0 0 106.115 2.218 10 30 AEEERN N#CCCCc1ccc2c(c1)CCO2 83256250 1169112859 /nfs/dbraw/zinc/11/28/59/1169112859.db2.gz CITYJUHGJAWZSF-UHFFFAOYSA-N 0 0 187.242 2.468 10 30 AEEERN C#CCC1=CC(=O)CC(C)(C)C1 83546649 1169112871 /nfs/dbraw/zinc/11/28/71/1169112871.db2.gz VJTINJBIOZPUJQ-UHFFFAOYSA-N 0 0 162.232 2.325 10 30 AEEERN Cc1nccc(-c2ccccc2C#N)n1 82895929 1169114612 /nfs/dbraw/zinc/11/46/12/1169114612.db2.gz AMTHRQZKGHPBFI-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C#CCc1ccc2ccccc2n1 83951479 1169117226 /nfs/dbraw/zinc/11/72/26/1169117226.db2.gz XISJNNRMMHJARF-UHFFFAOYSA-N 0 0 167.211 2.411 10 30 AEEERN C#CCc1ccnc2ccccc12 83951478 1169117718 /nfs/dbraw/zinc/11/77/18/1169117718.db2.gz DWNHOULEXJIDTB-UHFFFAOYSA-N 0 0 167.211 2.411 10 30 AEEERN COc1cccc(F)c1CCC#N 84931306 1169118959 /nfs/dbraw/zinc/11/89/59/1169118959.db2.gz KODNUJSKEVEYDS-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN N#CCCc1cc(F)cc(F)c1 84931310 1169119479 /nfs/dbraw/zinc/11/94/79/1169119479.db2.gz HALXUIOQICKWLL-UHFFFAOYSA-N 0 0 167.158 2.421 10 30 AEEERN COc1ccc(F)c(CCC#N)c1 84931311 1169119552 /nfs/dbraw/zinc/11/95/52/1169119552.db2.gz JFQWRGGUZPMATF-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN C=CCOc1ccc(C=O)c(C)c1 85873914 1169120816 /nfs/dbraw/zinc/12/08/16/1169120816.db2.gz IUZGWCJJKDSYTN-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN N#Cc1cncc(-c2cccc(N)c2)c1 87282181 1169124055 /nfs/dbraw/zinc/12/40/55/1169124055.db2.gz HKIKJCLOIGVVMX-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cncc(-c2ccccc2N)c1 87282145 1169124490 /nfs/dbraw/zinc/12/44/90/1169124490.db2.gz IQRMLQMPGVGJIQ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cncc(-c2ccc(N)cc2)c1 87282160 1169124540 /nfs/dbraw/zinc/12/45/40/1169124540.db2.gz APWCQMZNEMHQFG-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CCC[C@@H](O)CNc1ccccc1 90735655 1169125143 /nfs/dbraw/zinc/12/51/43/1169125143.db2.gz HVAKOFNDRLLIFA-GFCCVEGCSA-N 0 0 191.274 2.426 10 30 AEEERN N#Cc1cncnc1-c1ccccc1 88189854 1169126048 /nfs/dbraw/zinc/12/60/48/1169126048.db2.gz UXDIFJAVEMORON-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN CC(=O)c1ccccc1CCC#N 90568707 1169126916 /nfs/dbraw/zinc/12/69/16/1169126916.db2.gz PORVOCWKNHJCHA-UHFFFAOYSA-N 0 0 173.215 2.345 10 30 AEEERN C=CCC[C@H](O)CNc1ccccc1 90735654 1169126957 /nfs/dbraw/zinc/12/69/57/1169126957.db2.gz HVAKOFNDRLLIFA-LBPRGKRZSA-N 0 0 191.274 2.426 10 30 AEEERN C[C@H](NCC#N)C1CCCCCC1 88169165 1169127003 /nfs/dbraw/zinc/12/70/03/1169127003.db2.gz UXXTVXVHUKUXBG-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN C[C@@H](NCC#N)C1CCCCCC1 88169260 1169127023 /nfs/dbraw/zinc/12/70/23/1169127023.db2.gz UXXTVXVHUKUXBG-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN C#CCc1ccccc1C 88263238 1169127246 /nfs/dbraw/zinc/12/72/46/1169127246.db2.gz FVDUCMMUTJKINH-UHFFFAOYSA-N 0 0 130.190 2.171 10 30 AEEERN CC(C)Oc1cc(O)ccc1C#N 95710646 1169128681 /nfs/dbraw/zinc/12/86/81/1169128681.db2.gz CBVWIVPYZAPOST-UHFFFAOYSA-N 0 0 177.203 2.051 10 30 AEEERN CC(C)Oc1cc(O)cc(C#N)c1 95710615 1169128829 /nfs/dbraw/zinc/12/88/29/1169128829.db2.gz OEIGVSLNKAVPTL-UHFFFAOYSA-N 0 0 177.203 2.051 10 30 AEEERN Cc1c(C#N)cccc1OC1CC1 95736205 1169129745 /nfs/dbraw/zinc/12/97/45/1169129745.db2.gz DNLWTSPPSZGAPZ-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN Cc1cc(OC2CC2)ccc1C#N 95736117 1169130300 /nfs/dbraw/zinc/13/03/00/1169130300.db2.gz CDQPXMMUVYHFHI-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN COc1c(F)cccc1CCC#N 95699055 1169130343 /nfs/dbraw/zinc/13/03/43/1169130343.db2.gz WNNPYNLSHCHFBD-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN Cc1cc(C#N)cc(OC2CC2)c1 95734966 1169130666 /nfs/dbraw/zinc/13/06/66/1169130666.db2.gz UBBCCZTVNKWVDN-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN Cc1cccc(OC2CC2)c1C#N 95734855 1169130704 /nfs/dbraw/zinc/13/07/04/1169130704.db2.gz YTGWOTHAONDAIB-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN CC(C)Oc1cc(C#N)ccc1O 95710577 1169130743 /nfs/dbraw/zinc/13/07/43/1169130743.db2.gz ZFYMWLPYTXNGCT-UHFFFAOYSA-N 0 0 177.203 2.051 10 30 AEEERN CC(C)Oc1c(O)cccc1C#N 95710549 1169130833 /nfs/dbraw/zinc/13/08/33/1169130833.db2.gz XUUHHAQMHLGPDO-UHFFFAOYSA-N 0 0 177.203 2.051 10 30 AEEERN Cc1cccc(C#N)c1OC1CC1 95736187 1169130881 /nfs/dbraw/zinc/13/08/81/1169130881.db2.gz DQBOYULDZOBBSK-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN CC(C)CCCCNC(=O)[C@@H](C)C#N 96867636 1169131745 /nfs/dbraw/zinc/13/17/45/1169131745.db2.gz ZPNXVPGXCOENSQ-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN N#Cc1cccc(OC2CCC2)c1 96029200 1169132181 /nfs/dbraw/zinc/13/21/81/1169132181.db2.gz HFIPSHHSDUNLJJ-UHFFFAOYSA-N 0 0 173.215 2.490 10 30 AEEERN N#CCc1ccc(OC2CC2)cc1 96029207 1169132377 /nfs/dbraw/zinc/13/23/77/1169132377.db2.gz LGONFIQXXMRRKB-UHFFFAOYSA-N 0 0 173.215 2.294 10 30 AEEERN CC(C)CCCCNC(=O)[C@H](C)C#N 96867637 1169132510 /nfs/dbraw/zinc/13/25/10/1169132510.db2.gz ZPNXVPGXCOENSQ-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN C#C[C@@]1(O)CCc2cc(Cl)ccc21 757122673 673914401 /nfs/dbraw/zinc/91/44/01/673914401.db2.gz IPSTXLLXQYSDDJ-LLVKDONJSA-N 0 0 192.645 2.107 10 30 AEEERN C#C[C@]1(O)CCc2cc(Cl)ccc21 757122709 673915040 /nfs/dbraw/zinc/91/50/40/673915040.db2.gz IPSTXLLXQYSDDJ-NSHDSACASA-N 0 0 192.645 2.107 10 30 AEEERN CC1(C=NOC2CCC2)CCOCC1 812236448 673915223 /nfs/dbraw/zinc/91/52/23/673915223.db2.gz MIXDGAVCUUJHFH-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)CNc1cccc(CC#N)n1 307233782 673918293 /nfs/dbraw/zinc/91/82/93/673918293.db2.gz CZBAZZLCBBJPBO-UHFFFAOYSA-N 0 0 189.262 2.216 10 30 AEEERN Cc1scc(C(=O)OCC#N)c1C 307332258 673919221 /nfs/dbraw/zinc/91/92/21/673919221.db2.gz ADWZIOYCQCFPHX-UHFFFAOYSA-N 0 0 195.243 2.045 10 30 AEEERN CCCCOC1=C(C)O[C@H](C)C1=O 104530548 1169139306 /nfs/dbraw/zinc/13/93/06/1169139306.db2.gz SQHHYGNRSINKBH-SSDOTTSWSA-N 0 0 184.235 2.022 10 30 AEEERN C=C(C)CON=C1COC(C)(C)C1 844620019 673919677 /nfs/dbraw/zinc/91/96/77/673919677.db2.gz FZANXCSJPCDPGW-UHFFFAOYSA-N 0 0 183.251 2.134 10 30 AEEERN C=C(C)CON=CCC[C@@H]1CCO1 844620057 673919888 /nfs/dbraw/zinc/91/98/88/673919888.db2.gz GZGGWAWSAMYNHP-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN C=C(C)CON=CCC[C@H]1CCO1 844620056 673919919 /nfs/dbraw/zinc/91/99/19/673919919.db2.gz GZGGWAWSAMYNHP-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN N#Cc1cc(-c2ncc[nH]2)ccc1F 104399667 1169139995 /nfs/dbraw/zinc/13/99/95/1169139995.db2.gz ANDIMSSPXUMEIB-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN COc1cc(CCCC#N)ccc1O 104531037 1169140021 /nfs/dbraw/zinc/14/00/21/1169140021.db2.gz WLAMIELSDLMDSH-UHFFFAOYSA-N 0 0 191.230 2.247 10 30 AEEERN N#Cc1ccc(F)c(-c2ncc[nH]2)c1 104470632 1169140128 /nfs/dbraw/zinc/14/01/28/1169140128.db2.gz VWJIZJLUYPPRGB-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN COc1cc(CCC#N)cc(OC)c1 104527230 1169140138 /nfs/dbraw/zinc/14/01/38/1169140138.db2.gz BVDMDQUQOAXBTE-UHFFFAOYSA-N 0 0 191.230 2.160 10 30 AEEERN C=C(Cl)CN1CCC=C(C)C1 307727012 673922123 /nfs/dbraw/zinc/92/21/23/673922123.db2.gz CUSMNXCVDLDMJE-UHFFFAOYSA-N 0 0 171.671 2.391 10 30 AEEERN C#CCN1Cc2cccc(Cl)c2C1 307727768 673922160 /nfs/dbraw/zinc/92/21/60/673922160.db2.gz DQIVOACZTADLKU-UHFFFAOYSA-N 0 0 191.661 2.289 10 30 AEEERN N#CCCCc1ccc(C#N)cc1 107525239 1169142970 /nfs/dbraw/zinc/14/29/70/1169142970.db2.gz DNZSQGGDRZNWEP-UHFFFAOYSA-N 0 0 170.215 2.405 10 30 AEEERN C=C(CC)CNC(=O)C1(C2CC2)CC1 891370448 673924922 /nfs/dbraw/zinc/92/49/22/673924922.db2.gz MSBCLZLGCUMLQC-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=C(Cl)CNC(=O)C1(C)CC=CC1 933170063 673925909 /nfs/dbraw/zinc/92/59/09/673925909.db2.gz NBOGBKHAIQVEMJ-UHFFFAOYSA-N 0 0 199.681 2.211 10 30 AEEERN C#CCCSc1ccc(C#N)cn1 307104078 673925972 /nfs/dbraw/zinc/92/59/72/673925972.db2.gz CDQOIIKJFAGHPP-UHFFFAOYSA-N 0 0 188.255 2.069 10 30 AEEERN CC#CCSC1=N[C@H](C)CS1 307201536 673925992 /nfs/dbraw/zinc/92/59/92/673925992.db2.gz FCNAIHKAXKFSCG-SSDOTTSWSA-N 0 0 185.317 2.234 10 30 AEEERN N#Cc1ccc(C2=CCOCC2)cc1 113391940 1169147039 /nfs/dbraw/zinc/14/70/39/1169147039.db2.gz UNMWQTBNRSNASI-UHFFFAOYSA-N 0 0 185.226 2.362 10 30 AEEERN C=CCc1ccsc1 112972292 1169147130 /nfs/dbraw/zinc/14/71/30/1169147130.db2.gz NYAXLWYPCFGKJQ-UHFFFAOYSA-N 0 0 124.208 2.477 10 30 AEEERN C=C(C)COC(=O)CC(C)(C)C#N 308142254 673926687 /nfs/dbraw/zinc/92/66/87/673926687.db2.gz ABDIARQCSFBSRJ-UHFFFAOYSA-N 0 0 181.235 2.046 10 30 AEEERN C=CCCCC(=O)OCCSC 308155426 673926709 /nfs/dbraw/zinc/92/67/09/673926709.db2.gz ONIFWVUBALFEFB-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN CO[C@@H](C)C(C)=NOC/C=C\Cl 308141499 673926746 /nfs/dbraw/zinc/92/67/46/673926746.db2.gz HQKPBYWXWFGUNO-ZFVNELMZSA-N 0 0 191.658 2.166 10 30 AEEERN C=C(C)CCOC(=O)CCSC 308154833 673926900 /nfs/dbraw/zinc/92/69/00/673926900.db2.gz ODVSAINLMYHISZ-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C=CCCOC(=O)CCCSC 308175485 673927720 /nfs/dbraw/zinc/92/77/20/673927720.db2.gz ZDZFLMAEUCNJKD-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C#CCCCOC(=O)/C(=C/C)CC 308176110 673927767 /nfs/dbraw/zinc/92/77/67/673927767.db2.gz FMFRSXWAUGZYJW-BJMVGYQFSA-N 0 0 180.247 2.299 10 30 AEEERN C=CCCCC(=O)N(CC)C1CC1 308175142 673927898 /nfs/dbraw/zinc/92/78/98/673927898.db2.gz CZQZLGXERQFWFA-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN C=CCOC(=O)NCCCCC 112971324 1169148426 /nfs/dbraw/zinc/14/84/26/1169148426.db2.gz JAHSIPMXVHHTSM-UHFFFAOYSA-N 0 0 171.240 2.089 10 30 AEEERN C=CCOC(=O)Nc1ccc(C)cn1 113073516 1169148546 /nfs/dbraw/zinc/14/85/46/1169148546.db2.gz XZADWQAITLMVBH-UHFFFAOYSA-N 0 0 192.218 2.125 10 30 AEEERN C=C[C@@H](C)OC(=O)C[C@@H](C)SC 308161989 673928119 /nfs/dbraw/zinc/92/81/19/673928119.db2.gz RTLMPZQFKPUGHP-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN CCN(CC#N)CC1(C)CCCC1 308187073 673928352 /nfs/dbraw/zinc/92/83/52/673928352.db2.gz GOGHUEUORYFRDM-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN C=C[C@@H](C)OC(=O)C[C@H](C)SC 308161995 673928448 /nfs/dbraw/zinc/92/84/48/673928448.db2.gz RTLMPZQFKPUGHP-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN CC#CCCSc1nccn1CC 308217204 673928814 /nfs/dbraw/zinc/92/88/14/673928814.db2.gz APRLUSCOOSLZJY-UHFFFAOYSA-N 0 0 194.303 2.409 10 30 AEEERN C#CCCCCCC(=O)OCCF 308354254 673929403 /nfs/dbraw/zinc/92/94/03/673929403.db2.gz AFVIDMOJPMMKAL-UHFFFAOYSA-N 0 0 186.226 2.083 10 30 AEEERN C#CCCCC(=O)OC[C@H](C)CC 308288227 673930094 /nfs/dbraw/zinc/93/00/94/673930094.db2.gz FLCRJZQOJVIJLX-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN CC[C@@H](C)CON=CCCCOC 308291369 673930139 /nfs/dbraw/zinc/93/01/39/673930139.db2.gz HEOXJMJARRWBKM-SNVBAGLBSA-N 0 0 187.283 2.462 10 30 AEEERN C=CCc1cccc2[nH]c(=O)ccc12 113815463 1169151121 /nfs/dbraw/zinc/15/11/21/1169151121.db2.gz QPFXFQDKBBIFTN-UHFFFAOYSA-N 0 0 185.226 2.257 10 30 AEEERN C#CCCOC(=O)c1csc(C)c1 308369282 673930660 /nfs/dbraw/zinc/93/06/60/673930660.db2.gz JVETYQOLGMGVSG-UHFFFAOYSA-N 0 0 194.255 2.237 10 30 AEEERN COC(=O)Nc1ccc(C)cc1C#N 113753140 1169151535 /nfs/dbraw/zinc/15/15/35/1169151535.db2.gz WCAGPCINTGOHNV-UHFFFAOYSA-N 0 0 190.202 2.045 10 30 AEEERN C=CC(C)(C)NC(=O)NC(CC)CC 891454431 673931273 /nfs/dbraw/zinc/93/12/73/673931273.db2.gz YBIDRHOQQOVYOK-UHFFFAOYSA-N 0 0 198.310 2.439 10 30 AEEERN CON=Cc1cnc(CC(C)C)s1 308466681 673931381 /nfs/dbraw/zinc/93/13/81/673931381.db2.gz JIACKKDKTNNYPN-UHFFFAOYSA-N 0 0 198.291 2.322 10 30 AEEERN C=CCCCNC(=O)/C=C\CCC 308467704 673931385 /nfs/dbraw/zinc/93/13/85/673931385.db2.gz JNMVIROCWUXMDM-CLFYSBASSA-N 0 0 181.279 2.425 10 30 AEEERN C=CCc1cccc(O)c1C 114457268 1169152448 /nfs/dbraw/zinc/15/24/48/1169152448.db2.gz LVBAHMWMAYNQTQ-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN C#CCN1CC2(CC2)Oc2ccccc21 934487498 673936651 /nfs/dbraw/zinc/93/66/51/673936651.db2.gz OUDXZFMRIGZTRU-UHFFFAOYSA-N 0 0 199.253 2.051 10 30 AEEERN C=C[C@H](C)OCCCC 114655826 1169153743 /nfs/dbraw/zinc/15/37/43/1169153743.db2.gz CQJQTXVQMQMNBT-QMMMGPOBSA-N 0 0 128.215 2.378 10 30 AEEERN C=C[C@@H](C)OCCCC 114655828 1169154176 /nfs/dbraw/zinc/15/41/76/1169154176.db2.gz CQJQTXVQMQMNBT-MRVPVSSYSA-N 0 0 128.215 2.378 10 30 AEEERN C[C@@]1(C(=O)OCCCC#N)C=CCC1 924407005 673935623 /nfs/dbraw/zinc/93/56/23/673935623.db2.gz IADDCRLXDOCRPC-LLVKDONJSA-N 0 0 193.246 2.190 10 30 AEEERN C[C@]1(C(=O)OCCCC#N)C=CCC1 924407006 673935701 /nfs/dbraw/zinc/93/57/01/673935701.db2.gz IADDCRLXDOCRPC-NSHDSACASA-N 0 0 193.246 2.190 10 30 AEEERN C=CCNCc1nc(C(C)(C)C)co1 724438582 673935821 /nfs/dbraw/zinc/93/58/21/673935821.db2.gz PMDYFXULSTYMBT-UHFFFAOYSA-N 0 0 194.278 2.248 10 30 AEEERN C=C1CCC(CNC(=O)N(C)C)CC1 724469142 673935991 /nfs/dbraw/zinc/93/59/91/673935991.db2.gz DPQWRDUPZIBWQK-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=C1CCC(CNC(=O)NCC)CC1 724470255 673936013 /nfs/dbraw/zinc/93/60/13/673936013.db2.gz MNDKOHGZYVZSSJ-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CC[C@@H]1CCN1Cc1cc(C)on1 934460471 673936469 /nfs/dbraw/zinc/93/64/69/673936469.db2.gz PPEICXQOAPDWPM-LLVKDONJSA-N 0 0 192.262 2.133 10 30 AEEERN C=CC[C@H]1CCN1Cc1cc(C)on1 934460472 673936530 /nfs/dbraw/zinc/93/65/30/673936530.db2.gz PPEICXQOAPDWPM-NSHDSACASA-N 0 0 192.262 2.133 10 30 AEEERN C=C[C@@H](C)OC(=O)C=C(C)C 39184686 673936536 /nfs/dbraw/zinc/93/65/36/673936536.db2.gz KEOXUZBXBJXCGH-MRVPVSSYSA-N 0 0 154.209 2.070 10 30 AEEERN CCCCC1(C(=O)OCC#N)CC1 924424705 673936551 /nfs/dbraw/zinc/93/65/51/673936551.db2.gz DMJRRWDHYHIGFV-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN C=C[C@H](C)OC(=O)C=C(C)C 39184685 673936553 /nfs/dbraw/zinc/93/65/53/673936553.db2.gz KEOXUZBXBJXCGH-QMMMGPOBSA-N 0 0 154.209 2.070 10 30 AEEERN CCC(=NN[C@H](C)CC#N)[C@@H]1C[C@@H]1C 841634133 673938490 /nfs/dbraw/zinc/93/84/90/673938490.db2.gz WDXKDURRZYDGSR-IVZWLZJFSA-N 0 0 193.294 2.300 10 30 AEEERN CCC(=NN[C@H](C)CC#N)[C@H]1C[C@@H]1C 841634108 673938586 /nfs/dbraw/zinc/93/85/86/673938586.db2.gz WDXKDURRZYDGSR-AEJSXWLSSA-N 0 0 193.294 2.300 10 30 AEEERN CCC(=NN[C@H](C)CC#N)[C@@H]1C[C@H]1C 841634138 673938589 /nfs/dbraw/zinc/93/85/89/673938589.db2.gz WDXKDURRZYDGSR-OPRDCNLKSA-N 0 0 193.294 2.300 10 30 AEEERN CCC(=NN[C@H](C)CC#N)[C@H]1C[C@H]1C 841634130 673938633 /nfs/dbraw/zinc/93/86/33/673938633.db2.gz WDXKDURRZYDGSR-BBBLOLIVSA-N 0 0 193.294 2.300 10 30 AEEERN C=CCc1ccoc1 117731256 1169159440 /nfs/dbraw/zinc/15/94/40/1169159440.db2.gz ZMJUHLYFIDYLRE-UHFFFAOYSA-N 0 0 108.140 2.008 10 30 AEEERN C=CCN1CC[C@H](O)c2ccccc21 158714628 673939463 /nfs/dbraw/zinc/93/94/63/673939463.db2.gz KTYJXPDXSIVCOE-LBPRGKRZSA-N 0 0 189.258 2.116 10 30 AEEERN C=CCN1CC[C@@H](O)c2ccccc21 158714774 673939489 /nfs/dbraw/zinc/93/94/89/673939489.db2.gz KTYJXPDXSIVCOE-GFCCVEGCSA-N 0 0 189.258 2.116 10 30 AEEERN N#Cc1cc(C2CC2)ccc1O 117309302 1169159536 /nfs/dbraw/zinc/15/95/36/1169159536.db2.gz WMGCDLASWAUQHO-UHFFFAOYSA-N 0 0 159.188 2.141 10 30 AEEERN CCCCCCCOC1CC(O)C1 117305850 1169160155 /nfs/dbraw/zinc/16/01/55/1169160155.db2.gz ZXKMKESHAVNEPC-UHFFFAOYSA-N 0 0 186.295 2.497 10 30 AEEERN N#Cc1cc(-c2ccccn2)ccn1 118086543 1169160212 /nfs/dbraw/zinc/16/02/12/1169160212.db2.gz KRUKKYGXVFGQRM-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN CCc1ccc(C#N)c(F)c1 118788563 1169161914 /nfs/dbraw/zinc/16/19/14/1169161914.db2.gz POZXQPWFEBKHJH-UHFFFAOYSA-N 0 0 149.168 2.260 10 30 AEEERN N#Cc1cc(CC(F)(F)F)ccn1 118657533 1169162188 /nfs/dbraw/zinc/16/21/88/1169162188.db2.gz SZLNDTDAHNBDKT-UHFFFAOYSA-N 0 0 186.136 2.058 10 30 AEEERN C=C(C)CSCCC1(O)CC1 307850281 673942730 /nfs/dbraw/zinc/94/27/30/673942730.db2.gz APWQNZICWWRTOF-UHFFFAOYSA-N 0 0 172.293 2.211 10 30 AEEERN CC(C)(C)C=NOCC(F)F 307854873 673942749 /nfs/dbraw/zinc/94/27/49/673942749.db2.gz BXBVSWWMMSYWIR-UHFFFAOYSA-N 0 0 165.183 2.300 10 30 AEEERN CCCSCCO[C@H](C)C#N 307866935 673942750 /nfs/dbraw/zinc/94/27/50/673942750.db2.gz GWVPRMAFGDLXBL-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN CON=C(C)c1sccc1C 307855948 673942754 /nfs/dbraw/zinc/94/27/54/673942754.db2.gz COUHVKDZIUFFLZ-UHFFFAOYSA-N 0 0 169.249 2.427 10 30 AEEERN C=CCC[C@@H](C)OC(=O)CC 307890082 673942756 /nfs/dbraw/zinc/94/27/56/673942756.db2.gz YOKOPYPONBCJCY-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN CC1(C=NOCC(F)F)CC1 307853510 673942977 /nfs/dbraw/zinc/94/29/77/673942977.db2.gz CNBHITFXXGGJME-UHFFFAOYSA-N 0 0 163.167 2.054 10 30 AEEERN CC[C@@H](C)CON=CC1CC1 307861800 673943064 /nfs/dbraw/zinc/94/30/64/673943064.db2.gz HJTNKMTVZBNHNN-MRVPVSSYSA-N 0 0 155.241 2.445 10 30 AEEERN CC(C)C=NOCCC1CC1 307892277 673943226 /nfs/dbraw/zinc/94/32/26/673943226.db2.gz FUQZPAVJCGQPGJ-UHFFFAOYSA-N 0 0 155.241 2.445 10 30 AEEERN C=C(CC)COC(=O)C(C)C 307850235 673943249 /nfs/dbraw/zinc/94/32/49/673943249.db2.gz AKTMHHAMWZVIDU-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN CON=C1CCC[C@@H](C)C1 307808019 673943302 /nfs/dbraw/zinc/94/33/02/673943302.db2.gz CIIVPILAXQZPMV-SSDOTTSWSA-N 0 0 141.214 2.199 10 30 AEEERN CC[C@@H](C)Oc1ccc(C#N)nc1 122478779 1169163156 /nfs/dbraw/zinc/16/31/56/1169163156.db2.gz QWWTUQAUIJXHBD-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CON=Cc1ccc(C)s1 307827642 673943422 /nfs/dbraw/zinc/94/34/22/673943422.db2.gz HWMKOUKBXSMOHZ-UHFFFAOYSA-N 0 0 155.222 2.037 10 30 AEEERN N#Cc1ccc(OC2CCCC2)cn1 122474655 1169164051 /nfs/dbraw/zinc/16/40/51/1169164051.db2.gz AAVORNDICBYTON-UHFFFAOYSA-N 0 0 188.230 2.275 10 30 AEEERN CC(C)[C@H](C)Oc1ccc(C#N)nc1 122481340 1169164121 /nfs/dbraw/zinc/16/41/21/1169164121.db2.gz OLYOSASASGLDEX-VIFPVBQESA-N 0 0 190.246 2.377 10 30 AEEERN C#C[C@@H](C)OC(=O)CC1CCCC1 308143261 673944413 /nfs/dbraw/zinc/94/44/13/673944413.db2.gz ACSZIDFNERUNHT-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN CC(C)[C@@H](C)Oc1ccc(C#N)nc1 122481127 1169164148 /nfs/dbraw/zinc/16/41/48/1169164148.db2.gz OLYOSASASGLDEX-SECBINFHSA-N 0 0 190.246 2.377 10 30 AEEERN C#C[C@H](C)OC(=O)CC1CCCC1 308143262 673944500 /nfs/dbraw/zinc/94/45/00/673944500.db2.gz ACSZIDFNERUNHT-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C#CCCOC(=O)[C@H](C)CC(C)C 308154568 673944512 /nfs/dbraw/zinc/94/45/12/673944512.db2.gz QMCIJCKLISFIBP-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C=C[C@H](CC)OC(=O)c1cscn1 308422368 673944792 /nfs/dbraw/zinc/94/47/92/673944792.db2.gz PCYBLJMOLJPTCS-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN COC(C)(C)CCON=C1CCC1 308433310 673945067 /nfs/dbraw/zinc/94/50/67/673945067.db2.gz UWFDFEPVIAKUCL-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN C=C[C@@H](CC)OC(=O)/C=C\C1CC1 308421763 673945132 /nfs/dbraw/zinc/94/51/32/673945132.db2.gz OYVNQFCFRDLSIG-DMEOUFDRSA-N 0 0 180.247 2.460 10 30 AEEERN CC[C@H](C)Oc1ccc(C#N)nc1 122479032 1169164792 /nfs/dbraw/zinc/16/47/92/1169164792.db2.gz QWWTUQAUIJXHBD-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN CCN(CC#N)CCCC(F)(F)F 123651806 1169166298 /nfs/dbraw/zinc/16/62/98/1169166298.db2.gz NTQAZMWFJHSLMQ-UHFFFAOYSA-N 0 0 194.200 2.174 10 30 AEEERN C=CC1(OC(=O)/C=C\C2CC2)CC1 893362751 673947121 /nfs/dbraw/zinc/94/71/21/673947121.db2.gz JQZGHLGLGOFFIL-WAYWQWQTSA-N 0 0 178.231 2.214 10 30 AEEERN C=CC1(OC(=O)C2(CCF)CC2)CC1 893359413 673947138 /nfs/dbraw/zinc/94/71/38/673947138.db2.gz XTYYYHOFMPUWNB-UHFFFAOYSA-N 0 0 198.237 2.388 10 30 AEEERN C=CC1(OC(=O)[C@@H]2C[C@H]2CC)CC1 893359163 673947306 /nfs/dbraw/zinc/94/73/06/673947306.db2.gz SQLVDCRPCRCAEY-RKDXNWHRSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC1(OC(=O)[C@@H]2CC2(C)C)CC1 893363264 673947576 /nfs/dbraw/zinc/94/75/76/673947576.db2.gz VZDPOXYPHOIVRI-QMMMGPOBSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC1(OC(=O)/C=C/C2CC2)CC1 893362750 673947597 /nfs/dbraw/zinc/94/75/97/673947597.db2.gz JQZGHLGLGOFFIL-AATRIKPKSA-N 0 0 178.231 2.214 10 30 AEEERN C=CC1(OC(=O)CCCCC#N)CC1 893359164 673947675 /nfs/dbraw/zinc/94/76/75/673947675.db2.gz OALCASIGEFMPKQ-UHFFFAOYSA-N 0 0 193.246 2.332 10 30 AEEERN C=CC1(OC(=O)[C@@H]2CC23CC3)CC1 893359468 673947762 /nfs/dbraw/zinc/94/77/62/673947762.db2.gz ZBJOFODZJVNUCT-QMMMGPOBSA-N 0 0 178.231 2.048 10 30 AEEERN C=CC1(OC(=O)[C@H]2CC23CC3)CC1 893359467 673947786 /nfs/dbraw/zinc/94/77/86/673947786.db2.gz ZBJOFODZJVNUCT-MRVPVSSYSA-N 0 0 178.231 2.048 10 30 AEEERN C=CC(C)(C)NC(=O)NC1CC(C)C1 893398760 673948154 /nfs/dbraw/zinc/94/81/54/673948154.db2.gz ZQKXDSSDEXYZKH-UHFFFAOYSA-N 0 0 196.294 2.049 10 30 AEEERN C#CCN(CCC#N)Cc1ccccc1 197622832 673948334 /nfs/dbraw/zinc/94/83/34/673948334.db2.gz GCSRTZFWQOYZKK-UHFFFAOYSA-N 0 0 198.269 2.035 10 30 AEEERN C[C@@H](C#N)N(C)CCCC(F)(F)F 123652403 1169168349 /nfs/dbraw/zinc/16/83/49/1169168349.db2.gz FYHQTNFFVRUOQT-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C=C(CC)CNC(=O)OC(C)C 313536275 673949207 /nfs/dbraw/zinc/94/92/07/673949207.db2.gz MLQRAAZKKHEMDX-UHFFFAOYSA-N 0 0 171.240 2.087 10 30 AEEERN C=CCc1cncc(OCC)c1 124659027 1169170695 /nfs/dbraw/zinc/17/06/95/1169170695.db2.gz BPNBCIWMPLNFQR-UHFFFAOYSA-N 0 0 163.220 2.209 10 30 AEEERN Cc1nccn1CC1(C#N)CCCC1 259978372 673950972 /nfs/dbraw/zinc/95/09/72/673950972.db2.gz DQZWSTHAYGUDIN-UHFFFAOYSA-N 0 0 189.262 2.276 10 30 AEEERN CNc1ccc(CCC#N)cc1 261138703 673951642 /nfs/dbraw/zinc/95/16/42/673951642.db2.gz OOLSWSWPDPZYMP-UHFFFAOYSA-N 0 0 160.220 2.184 10 30 AEEERN C#CCN(C)C(=O)/C=C(\C)C(C)(C)C 790970789 673952370 /nfs/dbraw/zinc/95/23/70/673952370.db2.gz GANHLLNFIVXABM-MDZDMXLPSA-N 0 0 193.290 2.070 10 30 AEEERN C#CCN(C)C(=O)/C=C(/C)C(C)(C)C 790970787 673952453 /nfs/dbraw/zinc/95/24/53/673952453.db2.gz GANHLLNFIVXABM-KTKRTIGZSA-N 0 0 193.290 2.070 10 30 AEEERN CCC#CCOC(=O)/C=C(/C)C1CC1 893838249 673952752 /nfs/dbraw/zinc/95/27/52/673952752.db2.gz FQIXPWOFWSFRKX-KTKRTIGZSA-N 0 0 192.258 2.299 10 30 AEEERN CCC#CCOC(=O)[C@H](C)CCC 893838450 673952804 /nfs/dbraw/zinc/95/28/04/673952804.db2.gz ATYCWZUWBJGBHV-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN CCC#CCOC(=O)c1ccccc1 893834774 673952818 /nfs/dbraw/zinc/95/28/18/673952818.db2.gz ICMFAZYDGVFGJH-UHFFFAOYSA-N 0 0 188.226 2.257 10 30 AEEERN CCC#CCOC(=O)/C=C(\C)C1CC1 893838250 673952893 /nfs/dbraw/zinc/95/28/93/673952893.db2.gz FQIXPWOFWSFRKX-MDZDMXLPSA-N 0 0 192.258 2.299 10 30 AEEERN CCC#CCOC(=O)[C@@H](C)CCC 893838449 673952897 /nfs/dbraw/zinc/95/28/97/673952897.db2.gz ATYCWZUWBJGBHV-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN C=CCN(C(=O)NC1CC1)C(C)(C)C 127625224 1169174389 /nfs/dbraw/zinc/17/43/89/1169174389.db2.gz FQIRUPXHHAERRY-UHFFFAOYSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(C)CN(CC)Cc1nocc1C 877934648 673954415 /nfs/dbraw/zinc/95/44/15/673954415.db2.gz CORUHMGDAVAHKB-UHFFFAOYSA-N 0 0 194.278 2.381 10 30 AEEERN C=CCN(C(=O)NCC)C(C)(C)C 127626120 1169175022 /nfs/dbraw/zinc/17/50/22/1169175022.db2.gz RRCWOPLDKZPCOE-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C(CC1CCOCC1)=NOCC1CC1 814241029 673954729 /nfs/dbraw/zinc/95/47/29/673954729.db2.gz BYAHCSPEWAYVCD-UHFFFAOYSA-N 0 0 197.278 2.216 10 30 AEEERN C=CCN(C(=O)NC(C)C)C(C)(C)C 127624992 1169175579 /nfs/dbraw/zinc/17/55/79/1169175579.db2.gz NJLYTBDULZXASP-UHFFFAOYSA-N 0 0 198.310 2.391 10 30 AEEERN C=CCN(C(=O)OC)C(C)(C)C 127627543 1169175878 /nfs/dbraw/zinc/17/58/78/1169175878.db2.gz GVTQLHHFXLWKSE-UHFFFAOYSA-N 0 0 171.240 2.039 10 30 AEEERN C=CCN(C(=O)NCCC)C(C)(C)C 127624742 1169176231 /nfs/dbraw/zinc/17/62/31/1169176231.db2.gz INNQVONOONRCNK-UHFFFAOYSA-N 0 0 198.310 2.393 10 30 AEEERN CC[C@@H](C)CON=C(C)[C@H]1CCOC1 793157745 673956878 /nfs/dbraw/zinc/95/68/78/673956878.db2.gz COLMNXNBGSXUFS-KOLCDFICSA-N 0 0 199.294 2.462 10 30 AEEERN CON=C1CCC[C@H](C)C1 307808021 673956914 /nfs/dbraw/zinc/95/69/14/673956914.db2.gz CIIVPILAXQZPMV-ZETCQYMHSA-N 0 0 141.214 2.199 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC(C)(C)C1 128996284 1169177628 /nfs/dbraw/zinc/17/76/28/1169177628.db2.gz DWPWYDCQJBDPMM-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](C)NN=C1CCC(C)(O)CC1 863107202 673961525 /nfs/dbraw/zinc/96/15/25/673961525.db2.gz HNMPCGYNRFOBRU-BFHBGLAWSA-N 0 0 198.310 2.056 10 30 AEEERN CC/C=C(/F)C(=O)N(C)[C@@H](C)CC#N 865164682 673962952 /nfs/dbraw/zinc/96/29/52/673962952.db2.gz MJEYCYJTIATXPO-MOIHINDBSA-N 0 0 198.241 2.010 10 30 AEEERN CON=C(C)c1ccc(C)s1 307857658 673957068 /nfs/dbraw/zinc/95/70/68/673957068.db2.gz DCHGMCWFNFBMFA-UHFFFAOYSA-N 0 0 169.249 2.427 10 30 AEEERN CC[C@@H](C)CON=C(C)[C@@H]1CCOC1 793157747 673957073 /nfs/dbraw/zinc/95/70/73/673957073.db2.gz COLMNXNBGSXUFS-MWLCHTKSSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@H](C)CON=C(C)[C@H]1CCOC1 793157750 673957074 /nfs/dbraw/zinc/95/70/74/673957074.db2.gz COLMNXNBGSXUFS-ONGXEEELSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@H](C)CON=C(C)[C@@H]1CCOC1 793157743 673957119 /nfs/dbraw/zinc/95/71/19/673957119.db2.gz COLMNXNBGSXUFS-GXSJLCMTSA-N 0 0 199.294 2.462 10 30 AEEERN C1CCC(ON=C2CCOC2)CC1 308326256 673957540 /nfs/dbraw/zinc/95/75/40/673957540.db2.gz GFPGVSZIYQPLOO-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CCC(C)(C)C1 128995682 1169178533 /nfs/dbraw/zinc/17/85/33/1169178533.db2.gz DWPWYDCQJBDPMM-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN C=C[C@H](C)[NH2+]Cc1cccc(F)c1[O-] 163178076 673957813 /nfs/dbraw/zinc/95/78/13/673957813.db2.gz XSWJJNZRZXWOJM-QMMMGPOBSA-N 0 0 195.237 2.195 10 30 AEEERN C=C[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] 163178195 673957876 /nfs/dbraw/zinc/95/78/76/673957876.db2.gz XSWJJNZRZXWOJM-MRVPVSSYSA-N 0 0 195.237 2.195 10 30 AEEERN CC[C@H](C#N)N[C@H]1CC[C@H](C)C1 128954139 1169179118 /nfs/dbraw/zinc/17/91/18/1169179118.db2.gz RMUVDGILIMKVML-AEJSXWLSSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCC(C)(C)C1 128995909 1169179666 /nfs/dbraw/zinc/17/96/66/1169179666.db2.gz DWPWYDCQJBDPMM-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CC[C@H](C)C1 128953699 1169179873 /nfs/dbraw/zinc/17/98/73/1169179873.db2.gz RMUVDGILIMKVML-IVZWLZJFSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CCC(C)(C)C1 128996110 1169179962 /nfs/dbraw/zinc/17/99/62/1169179962.db2.gz DWPWYDCQJBDPMM-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN C=CCCC(=O)OC1CCC1 144463069 673959501 /nfs/dbraw/zinc/95/95/01/673959501.db2.gz LHKVXJRTNLEVDV-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN CCc1ncc(CS)s1 82688950 673959619 /nfs/dbraw/zinc/95/96/19/673959619.db2.gz KVDPEKODLFVSOB-UHFFFAOYSA-N 0 0 159.279 2.135 10 30 AEEERN N#Cc1ncccc1Nc1cccnc1 129807038 1169180836 /nfs/dbraw/zinc/18/08/36/1169180836.db2.gz IMZFUXONWSRPIE-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN CC[C@@H](C)Oc1cccnc1C#N 130135983 1169181942 /nfs/dbraw/zinc/18/19/42/1169181942.db2.gz WJJJWHWGMIFXSK-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CC[C@H](C)Oc1cccnc1C#N 130136197 1169181890 /nfs/dbraw/zinc/18/18/90/1169181890.db2.gz WJJJWHWGMIFXSK-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN CC[C@H](C)NN=C1CCC(C)(O)CC1 863107203 673961581 /nfs/dbraw/zinc/96/15/81/673961581.db2.gz HNMPCGYNRFOBRU-FTNKSUMCSA-N 0 0 198.310 2.056 10 30 AEEERN CC/C=C(\F)C(=O)N(C)[C@H](C)CC#N 865164680 673962585 /nfs/dbraw/zinc/96/25/85/673962585.db2.gz MJEYCYJTIATXPO-CPJBWDMUSA-N 0 0 198.241 2.010 10 30 AEEERN COC[C@@H](C)C=NNC1CCCCC1 786043246 673962623 /nfs/dbraw/zinc/96/26/23/673962623.db2.gz LTUHBIBYQXKIRC-JTQLQIEISA-N 0 0 198.310 2.177 10 30 AEEERN CC/C=C(/F)C(=O)N(C)[C@H](C)CC#N 865164679 673962707 /nfs/dbraw/zinc/96/27/07/673962707.db2.gz MJEYCYJTIATXPO-CBVZUMJXSA-N 0 0 198.241 2.010 10 30 AEEERN COC[C@H](C)C=NNC1CCCCC1 786043258 673962868 /nfs/dbraw/zinc/96/28/68/673962868.db2.gz LTUHBIBYQXKIRC-SNVBAGLBSA-N 0 0 198.310 2.177 10 30 AEEERN CC/C=C(\F)C(=O)N(C)[C@@H](C)CC#N 865164681 673962896 /nfs/dbraw/zinc/96/28/96/673962896.db2.gz MJEYCYJTIATXPO-HXOPTJOXSA-N 0 0 198.241 2.010 10 30 AEEERN C#CCN1CCCCc2ccccc21 83870138 673963218 /nfs/dbraw/zinc/96/32/18/673963218.db2.gz AMYFROWHHWHCCM-UHFFFAOYSA-N 0 0 185.270 2.463 10 30 AEEERN C#CCCOc1cccnc1Cl 83454800 673963240 /nfs/dbraw/zinc/96/32/40/673963240.db2.gz GJXNDYLTDMLTRP-UHFFFAOYSA-N 0 0 181.622 2.137 10 30 AEEERN C#CCCNc1nc(C(C)C)ns1 83669136 673963319 /nfs/dbraw/zinc/96/33/19/673963319.db2.gz LAAFYOMPZXXZST-UHFFFAOYSA-N 0 0 195.291 2.097 10 30 AEEERN C#CCCNc1nc(C)c(C)s1 83532957 673963351 /nfs/dbraw/zinc/96/33/51/673963351.db2.gz BZQPZQMGPXOZGJ-UHFFFAOYSA-N 0 0 180.276 2.195 10 30 AEEERN C=CCc1cccc2c1OCC2 132669853 1169185917 /nfs/dbraw/zinc/18/59/17/1169185917.db2.gz VVQRHJUZILEXIL-UHFFFAOYSA-N 0 0 160.216 2.350 10 30 AEEERN CCc1ccc(CN[C@@H](C)CC#N)o1 134972114 1169189659 /nfs/dbraw/zinc/18/96/59/1169189659.db2.gz KMOXIAYJRKMATD-VIFPVBQESA-N 0 0 192.262 2.234 10 30 AEEERN Cc1occc1CS 167577670 673968470 /nfs/dbraw/zinc/96/84/70/673968470.db2.gz ZIVUXHSTEDEYKF-UHFFFAOYSA-N 0 0 128.196 2.018 10 30 AEEERN SCc1ccc(Br)o1 167638694 673968521 /nfs/dbraw/zinc/96/85/21/673968521.db2.gz HACSUYFCNWUJMB-UHFFFAOYSA-N 0 0 193.065 2.472 10 30 AEEERN CC#CCCOc1cccc(C=O)c1 157747302 673968584 /nfs/dbraw/zinc/96/85/84/673968584.db2.gz CWWRKRQBEVOSMQ-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C=CCCO[C@H](C)c1nc(CC)no1 349794492 673969519 /nfs/dbraw/zinc/96/95/19/673969519.db2.gz DODAOHXVZLPHII-MRVPVSSYSA-N 0 0 196.250 2.286 10 30 AEEERN C=CCCO[C@@H](C)c1nc(CC)no1 349794493 673969529 /nfs/dbraw/zinc/96/95/29/673969529.db2.gz DODAOHXVZLPHII-QMMMGPOBSA-N 0 0 196.250 2.286 10 30 AEEERN CC[C@H](C)Oc1nccc(C)c1C#N 135092518 1169191613 /nfs/dbraw/zinc/19/16/13/1169191613.db2.gz OBQARKLQPZKKKO-VIFPVBQESA-N 0 0 190.246 2.439 10 30 AEEERN CC[C@@H](C)Oc1nccc(C)c1C#N 135092504 1169191779 /nfs/dbraw/zinc/19/17/79/1169191779.db2.gz OBQARKLQPZKKKO-SECBINFHSA-N 0 0 190.246 2.439 10 30 AEEERN CCc1ccc(CN[C@H](C)CC#N)o1 134972138 1169192087 /nfs/dbraw/zinc/19/20/87/1169192087.db2.gz KMOXIAYJRKMATD-SECBINFHSA-N 0 0 192.262 2.234 10 30 AEEERN C=CC[C@H](C)OC(=O)CCC 32165571 673973646 /nfs/dbraw/zinc/97/36/46/673973646.db2.gz GBDHZZRHBRVVII-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN C=CCSCCSC 32163227 673973748 /nfs/dbraw/zinc/97/37/48/673973748.db2.gz KYQJVWSAHLHJPF-UHFFFAOYSA-N 0 0 148.296 2.269 10 30 AEEERN C=CC[C@@H](C)OC(=O)CCC 32165573 673973788 /nfs/dbraw/zinc/97/37/88/673973788.db2.gz GBDHZZRHBRVVII-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN C#CCCNC(=O)CC1CCCCC1 69791811 673974335 /nfs/dbraw/zinc/97/43/35/673974335.db2.gz GWULCBJOCGFROY-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C#CCCNC(=O)CC1=CCCCC1 69791850 673974437 /nfs/dbraw/zinc/97/44/37/673974437.db2.gz BIXGCJBWEOKSLI-UHFFFAOYSA-N 0 0 191.274 2.016 10 30 AEEERN C#CCCNC(=O)CCC1CCCC1 69791799 673974524 /nfs/dbraw/zinc/97/45/24/673974524.db2.gz ZZQYDAWBOQXTIM-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C#CCCNC(=O)[C@H](CC)CCCC 69791843 673974525 /nfs/dbraw/zinc/97/45/25/673974525.db2.gz OBDDNINBVXQOGF-LLVKDONJSA-N 0 0 195.306 2.342 10 30 AEEERN C#CCCNC(=O)[C@@H](CC)CCCC 69791845 673974595 /nfs/dbraw/zinc/97/45/95/673974595.db2.gz OBDDNINBVXQOGF-NSHDSACASA-N 0 0 195.306 2.342 10 30 AEEERN COCCCc1ccc(C#N)cc1 137933352 1169195619 /nfs/dbraw/zinc/19/56/19/1169195619.db2.gz ASLRFXLVWMAEDQ-UHFFFAOYSA-N 0 0 175.231 2.137 10 30 AEEERN CCc1cccc(C#N)c1F 138461161 1169196662 /nfs/dbraw/zinc/19/66/62/1169196662.db2.gz IKNHYEALMWGMJE-UHFFFAOYSA-N 0 0 149.168 2.260 10 30 AEEERN C#CCc1cc(C)ccc1C 138221966 1169196895 /nfs/dbraw/zinc/19/68/95/1169196895.db2.gz KXOKBDKFIHQBKO-UHFFFAOYSA-N 0 0 144.217 2.479 10 30 AEEERN C#CCCCCC(=O)N1C[C@H](C)[C@H]1C 706879787 673976330 /nfs/dbraw/zinc/97/63/30/673976330.db2.gz COFFCOPSLIPTLT-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCCC(=O)N1C[C@H](C)[C@@H]1C 706879782 673976351 /nfs/dbraw/zinc/97/63/51/673976351.db2.gz COFFCOPSLIPTLT-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN C=CCc1csc(C)n1 138431280 1169197628 /nfs/dbraw/zinc/19/76/28/1169197628.db2.gz DAWNXNRANKINPU-UHFFFAOYSA-N 0 0 139.223 2.180 10 30 AEEERN C#CCc1cccc(C)c1C 138222090 1169198316 /nfs/dbraw/zinc/19/83/16/1169198316.db2.gz VOIZQJHLZFMVLL-UHFFFAOYSA-N 0 0 144.217 2.479 10 30 AEEERN CC/C=C(/C)C(=O)N(C)[C@H](C)CC#N 701335581 673979019 /nfs/dbraw/zinc/97/90/19/673979019.db2.gz BENUXEGZMVQBTM-ABRRARGCSA-N 0 0 194.278 2.103 10 30 AEEERN CC/C=C(\C)C(=O)N(C)[C@H](C)CC#N 701335585 673979079 /nfs/dbraw/zinc/97/90/79/673979079.db2.gz BENUXEGZMVQBTM-OLKPEBQYSA-N 0 0 194.278 2.103 10 30 AEEERN C=CCc1cc(O)ccc1C 140560903 1169199841 /nfs/dbraw/zinc/19/98/41/1169199841.db2.gz JPCRONBUGJFNRK-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN CC/C=C(/C)C(=O)N(C)[C@@H](C)CC#N 701335582 673979162 /nfs/dbraw/zinc/97/91/62/673979162.db2.gz BENUXEGZMVQBTM-MBACFSSFSA-N 0 0 194.278 2.103 10 30 AEEERN CC/C=C(\C)C(=O)N(C)[C@@H](C)CC#N 701335586 673979323 /nfs/dbraw/zinc/97/93/23/673979323.db2.gz BENUXEGZMVQBTM-ZKXNXJMVSA-N 0 0 194.278 2.103 10 30 AEEERN N#CCCCc1ccccc1N 140636396 1169200485 /nfs/dbraw/zinc/20/04/85/1169200485.db2.gz SAFNULYMNFGMLA-UHFFFAOYSA-N 0 0 160.220 2.115 10 30 AEEERN C#CCCCCC(=O)NCC[C@@H](C)F 702587553 673979818 /nfs/dbraw/zinc/97/98/18/673979818.db2.gz AUFFEVPPYWENKF-SNVBAGLBSA-N 0 0 199.269 2.044 10 30 AEEERN N#CCCc1cccc2[nH]cnc12 140418288 1169200769 /nfs/dbraw/zinc/20/07/69/1169200769.db2.gz ZCPGZWUUUHGIKM-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN C#CCCCCC(=O)NCC[C@H](C)F 702587552 673980094 /nfs/dbraw/zinc/98/00/94/673980094.db2.gz AUFFEVPPYWENKF-JTQLQIEISA-N 0 0 199.269 2.044 10 30 AEEERN C#CCCS[C@H]1COC(C)(C)C1 703048905 673981269 /nfs/dbraw/zinc/98/12/69/673981269.db2.gz QRSLBNHIOKFRRO-SECBINFHSA-N 0 0 184.304 2.310 10 30 AEEERN C#CCCS[C@@H]1COC(C)(C)C1 703048906 673981417 /nfs/dbraw/zinc/98/14/17/673981417.db2.gz QRSLBNHIOKFRRO-VIFPVBQESA-N 0 0 184.304 2.310 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)C=C(C)C)C1 703668041 673983000 /nfs/dbraw/zinc/98/30/00/673983000.db2.gz QQPDTNCBCPSUOQ-LLVKDONJSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@H]1CCN(C(=O)C=C(C)C)C1 703668042 673983139 /nfs/dbraw/zinc/98/31/39/673983139.db2.gz QQPDTNCBCPSUOQ-NSHDSACASA-N 0 0 193.290 2.377 10 30 AEEERN Cc1ccnc(-c2ccc(C#N)cc2)n1 141673128 1169204044 /nfs/dbraw/zinc/20/40/44/1169204044.db2.gz IEDUMXRGXOSUQH-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C#CCCNc1nccnc1C(C)C 703825176 673983800 /nfs/dbraw/zinc/98/38/00/673983800.db2.gz SHHLXBWPRNAYOI-UHFFFAOYSA-N 0 0 189.262 2.035 10 30 AEEERN C=CCCNC(=O)/C(C)=C/CC 704264423 673983975 /nfs/dbraw/zinc/98/39/75/673983975.db2.gz DAMQPPZZLBTXIO-VQHVLOKHSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCNC(=O)/C(C)=C\CC 704264422 673984327 /nfs/dbraw/zinc/98/43/27/673984327.db2.gz DAMQPPZZLBTXIO-CLFYSBASSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C 704160076 673984601 /nfs/dbraw/zinc/98/46/01/673984601.db2.gz JHTYZPVYSQTDJS-NXEZZACHSA-N 0 0 195.306 2.361 10 30 AEEERN C#CCCCn1ccnc1C1CC1 704173317 673984664 /nfs/dbraw/zinc/98/46/64/673984664.db2.gz DDPVYSIILDVRDS-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C#C[C@@H](CC)NC(=O)[C@@H](C)CC(C)C 704608392 673985050 /nfs/dbraw/zinc/98/50/50/673985050.db2.gz DATTZHHYBPQJLP-QWRGUYRKSA-N 0 0 195.306 2.197 10 30 AEEERN C#CCN(CC)C(=O)[C@@H](C)CC(C)C 704611123 673985067 /nfs/dbraw/zinc/98/50/67/673985067.db2.gz MDIOQOYBSVOMSG-NSHDSACASA-N 0 0 195.306 2.150 10 30 AEEERN C#C[C@@H](CC)NC(=O)[C@H](C)CC(C)C 704608388 673985107 /nfs/dbraw/zinc/98/51/07/673985107.db2.gz DATTZHHYBPQJLP-MNOVXSKESA-N 0 0 195.306 2.197 10 30 AEEERN C#CCCNC(=O)[C@H](C)CC(C)(C)C 704567518 673985125 /nfs/dbraw/zinc/98/51/25/673985125.db2.gz AJOCHCNNSDOVHZ-SNVBAGLBSA-N 0 0 195.306 2.198 10 30 AEEERN C#C[C@](C)(CC)NCC(F)(F)CC 704793596 673985126 /nfs/dbraw/zinc/98/51/26/673985126.db2.gz IPDPEQGQDXGQLJ-SECBINFHSA-N 0 0 189.249 2.423 10 30 AEEERN C#C[C@H](CC)NC(=O)[C@@H](C)CC(C)C 704608393 673985178 /nfs/dbraw/zinc/98/51/78/673985178.db2.gz DATTZHHYBPQJLP-WDEREUQCSA-N 0 0 195.306 2.197 10 30 AEEERN C=CCOC(=O)N[C@H]1CC=CCC1 141941010 1169205685 /nfs/dbraw/zinc/20/56/85/1169205685.db2.gz PCNZDIULPDVXRN-VIFPVBQESA-N 0 0 181.235 2.007 10 30 AEEERN C#CC(C)(C)NC(=O)[C@H](C)CC(C)C 704611130 673985358 /nfs/dbraw/zinc/98/53/58/673985358.db2.gz MDKFUIGGYZLWCK-SNVBAGLBSA-N 0 0 195.306 2.197 10 30 AEEERN C#C[C@H](CC)NC(=O)[C@H](C)CC(C)C 704608385 673985382 /nfs/dbraw/zinc/98/53/82/673985382.db2.gz DATTZHHYBPQJLP-GHMZBOCLSA-N 0 0 195.306 2.197 10 30 AEEERN C#CC(C)(C)NC(=O)[C@@H](C)CC(C)C 704611127 673985420 /nfs/dbraw/zinc/98/54/20/673985420.db2.gz MDKFUIGGYZLWCK-JTQLQIEISA-N 0 0 195.306 2.197 10 30 AEEERN C#CCCCNC(=O)[C@@H](C)CC(C)C 704610148 673985490 /nfs/dbraw/zinc/98/54/90/673985490.db2.gz IAUXBCAHMCFFKU-NSHDSACASA-N 0 0 195.306 2.198 10 30 AEEERN C#CCN(C)C(=O)[C@H](C)CC(C)(C)C 704570038 673985572 /nfs/dbraw/zinc/98/55/72/673985572.db2.gz PSKXZFRSRNYLOH-SNVBAGLBSA-N 0 0 195.306 2.150 10 30 AEEERN C#CCCCNC(=O)[C@H](C)CC(C)C 704610147 673985595 /nfs/dbraw/zinc/98/55/95/673985595.db2.gz IAUXBCAHMCFFKU-LLVKDONJSA-N 0 0 195.306 2.198 10 30 AEEERN C#CCN(CC)C(=O)[C@H](C)CC(C)C 704610846 673985598 /nfs/dbraw/zinc/98/55/98/673985598.db2.gz MDIOQOYBSVOMSG-LLVKDONJSA-N 0 0 195.306 2.150 10 30 AEEERN C#CCN(C)C(=O)[C@@H](C)CC(C)(C)C 704570037 673985614 /nfs/dbraw/zinc/98/56/14/673985614.db2.gz PSKXZFRSRNYLOH-JTQLQIEISA-N 0 0 195.306 2.150 10 30 AEEERN C#CCCNC(=O)[C@@H](C)CC(C)(C)C 704567517 673985633 /nfs/dbraw/zinc/98/56/33/673985633.db2.gz AJOCHCNNSDOVHZ-JTQLQIEISA-N 0 0 195.306 2.198 10 30 AEEERN C#C[C@@](C)(CC)NCC(F)(F)CC 704793597 673985674 /nfs/dbraw/zinc/98/56/74/673985674.db2.gz IPDPEQGQDXGQLJ-VIFPVBQESA-N 0 0 189.249 2.423 10 30 AEEERN C=CCOC(=O)N[C@@H]1CC=CCC1 141941198 1169206382 /nfs/dbraw/zinc/20/63/82/1169206382.db2.gz PCNZDIULPDVXRN-SECBINFHSA-N 0 0 181.235 2.007 10 30 AEEERN C#C[C@H](NC(=O)OC(C)C)C(C)(C)C 705299678 673986730 /nfs/dbraw/zinc/98/67/30/673986730.db2.gz HTIFEBOPUXWBOX-VIFPVBQESA-N 0 0 197.278 2.169 10 30 AEEERN C#C[C@@H](NC(=O)OC(C)C)C(C)(C)C 705299677 673986864 /nfs/dbraw/zinc/98/68/64/673986864.db2.gz HTIFEBOPUXWBOX-SECBINFHSA-N 0 0 197.278 2.169 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)OCCC)C1 705862689 673987210 /nfs/dbraw/zinc/98/72/10/673987210.db2.gz QUTMWWKPLMQXDB-SNVBAGLBSA-N 0 0 197.278 2.431 10 30 AEEERN C=CC[C@H]1CCN(C(=O)OCCC)C1 705862686 673987335 /nfs/dbraw/zinc/98/73/35/673987335.db2.gz QUTMWWKPLMQXDB-JTQLQIEISA-N 0 0 197.278 2.431 10 30 AEEERN C=C(C)CCOC(C)C 142500576 1169208142 /nfs/dbraw/zinc/20/81/42/1169208142.db2.gz NVYOBGKFNFFTTC-UHFFFAOYSA-N 0 0 128.215 2.378 10 30 AEEERN C#CCCCCC(=O)N1C[C@@H](C)[C@@H]1C 706879779 673988408 /nfs/dbraw/zinc/98/84/08/673988408.db2.gz COFFCOPSLIPTLT-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCCC(=O)N1C[C@@H](C)[C@H]1C 706879771 673988435 /nfs/dbraw/zinc/98/84/35/673988435.db2.gz COFFCOPSLIPTLT-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN N#Cc1ccnc(-c2ccc(O)cc2)c1 142781371 1169210717 /nfs/dbraw/zinc/21/07/17/1169210717.db2.gz OJSARFIXIWVNLW-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C[C@H](NCC#N)[C@@]12CCCC[C@@H]1C2 708844085 673991637 /nfs/dbraw/zinc/99/16/37/673991637.db2.gz WIUHNKBQDAAAAA-AXFHLTTASA-N 0 0 178.279 2.068 10 30 AEEERN C[C@H](NCC#N)[C@]12CCCC[C@H]1C2 708844088 673991694 /nfs/dbraw/zinc/99/16/94/673991694.db2.gz WIUHNKBQDAAAAA-GARJFASQSA-N 0 0 178.279 2.068 10 30 AEEERN C=Cc1ccc2c(C#N)c[nH]c2n1 143515815 1169211942 /nfs/dbraw/zinc/21/19/42/1169211942.db2.gz BSLQWXKUYNIHEP-UHFFFAOYSA-N 0 0 169.187 2.078 10 30 AEEERN C#CCCCCC(=O)NCCCC=C 710323940 673996917 /nfs/dbraw/zinc/99/69/17/673996917.db2.gz VHKAJMBLYVXYAN-UHFFFAOYSA-N 0 0 193.290 2.262 10 30 AEEERN N#Cc1ccc(-c2ccc(O)cc2)cn1 144096496 1169216127 /nfs/dbraw/zinc/21/61/27/1169216127.db2.gz CBSMKXRUHBGAFQ-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C[C@H](Cn1ccnc1C#N)C(C)(C)C 711202904 673998913 /nfs/dbraw/zinc/99/89/13/673998913.db2.gz VSEPNFAQVDLDNH-SECBINFHSA-N 0 0 191.278 2.437 10 30 AEEERN C[C@H](Cn1cc(C#N)cn1)C(C)(C)C 711198483 673998997 /nfs/dbraw/zinc/99/89/97/673998997.db2.gz JJVUURJJIMPFCY-SECBINFHSA-N 0 0 191.278 2.437 10 30 AEEERN C[C@@H](Cn1cc(C#N)cn1)C(C)(C)C 711198485 673999212 /nfs/dbraw/zinc/99/92/12/673999212.db2.gz JJVUURJJIMPFCY-VIFPVBQESA-N 0 0 191.278 2.437 10 30 AEEERN C#CCNC(=O)C[C@H](CC)C(C)(C)C 711209999 673999410 /nfs/dbraw/zinc/99/94/10/673999410.db2.gz GTIQXPMJIRHLGJ-JTQLQIEISA-N 0 0 195.306 2.198 10 30 AEEERN C#CCCCSc1ccc(C)nn1 711317001 673999427 /nfs/dbraw/zinc/99/94/27/673999427.db2.gz FPOCBBISXRRTSH-UHFFFAOYSA-N 0 0 192.287 2.291 10 30 AEEERN C#CCNC(=O)C[C@@H](CC)C(C)(C)C 711210001 673999537 /nfs/dbraw/zinc/99/95/37/673999537.db2.gz GTIQXPMJIRHLGJ-SNVBAGLBSA-N 0 0 195.306 2.198 10 30 AEEERN C#CC[N@@H+]1CCc2ccsc2[C@H]1C 712324011 674005610 /nfs/dbraw/zinc/00/56/10/674005610.db2.gz FNQWCQYTUNWDOP-SECBINFHSA-N 0 0 191.299 2.300 10 30 AEEERN CCc1cc(F)cc(C#N)c1 144857947 1169220162 /nfs/dbraw/zinc/22/01/62/1169220162.db2.gz KAIWLKLRXUWQST-UHFFFAOYSA-N 0 0 149.168 2.260 10 30 AEEERN C#CCOC(=O)C1CC(C(C)(C)C)C1 838414918 674006713 /nfs/dbraw/zinc/00/67/13/674006713.db2.gz XSNLCBCYFBTUDM-UHFFFAOYSA-N 0 0 194.274 2.235 10 30 AEEERN C=CCOC(=O)[C@@H](CC)CC(F)F 838397717 674006727 /nfs/dbraw/zinc/00/67/27/674006727.db2.gz OCYTVGKZQXITMW-ZETCQYMHSA-N 0 0 192.205 2.397 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C1(C)CCCC1 767228927 674007959 /nfs/dbraw/zinc/00/79/59/674007959.db2.gz FJJKCALCGZLZCX-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN C=C(C)COC(=O)[C@@]1(C)CCCCO1 838435311 674006732 /nfs/dbraw/zinc/00/67/32/674006732.db2.gz BWPHITXUVRKWFZ-LLVKDONJSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCOC(=O)[C@]1(C)CCCCO1 838434781 674006735 /nfs/dbraw/zinc/00/67/35/674006735.db2.gz BIBGJLSWNRUZLI-NSHDSACASA-N 0 0 198.262 2.065 10 30 AEEERN C=CCOC(=O)[C@@H](C)CC(F)(F)F 838402771 674006740 /nfs/dbraw/zinc/00/67/40/674006740.db2.gz ORFAXGFDAXBZRP-LURJTMIESA-N 0 0 196.168 2.304 10 30 AEEERN C=CCOC(=O)[C@H](CC)CC(F)F 838397716 674006755 /nfs/dbraw/zinc/00/67/55/674006755.db2.gz OCYTVGKZQXITMW-SSDOTTSWSA-N 0 0 192.205 2.397 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)/C=C/C(C)(C)C 767232753 674007972 /nfs/dbraw/zinc/00/79/72/674007972.db2.gz QRDGDOGDDGAKJJ-AAXQSMANSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)/C=C\C(C)(C)C 767232755 674007976 /nfs/dbraw/zinc/00/79/76/674007976.db2.gz QRDGDOGDDGAKJJ-HSTULFTRSA-N 0 0 193.290 2.069 10 30 AEEERN CC#CCCOC(=O)C[C@H]1C=CCC1 760290359 674007253 /nfs/dbraw/zinc/00/72/53/674007253.db2.gz YHVNUMRGIAMMLA-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCCOC(=O)C[C@@H](C)C1CC1 760291526 674007268 /nfs/dbraw/zinc/00/72/68/674007268.db2.gz FKQOBJRFXMDUFK-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCOC(=O)C[C@@H]1C=CCC1 760290357 674007272 /nfs/dbraw/zinc/00/72/72/674007272.db2.gz YHVNUMRGIAMMLA-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)[C@@](C)(C=C)CC 767231460 674007978 /nfs/dbraw/zinc/00/79/78/674007978.db2.gz AIXNIQOAQUWZGJ-PWSUYJOCSA-N 0 0 193.290 2.069 10 30 AEEERN C[C@@H]1c2sccc2CCN1CC#N 712260983 674004845 /nfs/dbraw/zinc/00/48/45/674004845.db2.gz MMPSIBMGDZHEPI-MRVPVSSYSA-N 0 0 192.287 2.191 10 30 AEEERN C[C@H]1c2sccc2CCN1CC#N 712260984 674004877 /nfs/dbraw/zinc/00/48/77/674004877.db2.gz MMPSIBMGDZHEPI-QMMMGPOBSA-N 0 0 192.287 2.191 10 30 AEEERN CC(C)(C)C1CC(C(=O)OCC#N)C1 838411603 674006661 /nfs/dbraw/zinc/00/66/61/674006661.db2.gz DOGVBTIARHNULD-UHFFFAOYSA-N 0 0 195.262 2.125 10 30 AEEERN C=CCOC(=O)c1[nH]ccc1C1CC1 838461598 674006675 /nfs/dbraw/zinc/00/66/75/674006675.db2.gz ARTNCUBPGOLDAD-UHFFFAOYSA-N 0 0 191.230 2.235 10 30 AEEERN C=CCCOC(=O)[C@@]1(C)CCCCO1 838434780 674006685 /nfs/dbraw/zinc/00/66/85/674006685.db2.gz BIBGJLSWNRUZLI-LLVKDONJSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCOC(=O)[C@H](C)CC(F)(F)F 838402772 674006699 /nfs/dbraw/zinc/00/66/99/674006699.db2.gz ORFAXGFDAXBZRP-ZCFIWIBFSA-N 0 0 196.168 2.304 10 30 AEEERN CC#CCCOC(=O)/C=C(\C)C1CC1 760291105 674007247 /nfs/dbraw/zinc/00/72/47/674007247.db2.gz BSNUVWFEHSTJRH-MDZDMXLPSA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCCOC(=O)/C=C(/C)C1CC1 760291104 674007244 /nfs/dbraw/zinc/00/72/44/674007244.db2.gz BSNUVWFEHSTJRH-KTKRTIGZSA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCCOC(=O)C[C@H](C)C1CC1 760291524 674007293 /nfs/dbraw/zinc/00/72/93/674007293.db2.gz FKQOBJRFXMDUFK-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C/C=C(\C)C(=O)O[C@@H](C)C(C)(C)C#N 761015235 674007529 /nfs/dbraw/zinc/00/75/29/674007529.db2.gz FQHWWGVTDGJCJQ-ORZBULNSSA-N 0 0 195.262 2.434 10 30 AEEERN C/C=C(/C)C(=O)O[C@@H](C)C(C)(C)C#N 761015238 674007541 /nfs/dbraw/zinc/00/75/41/674007541.db2.gz FQHWWGVTDGJCJQ-XZLDQRQTSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCCSCC 145249734 1169226326 /nfs/dbraw/zinc/22/63/26/1169226326.db2.gz VYTWFGBTIDTBGB-UHFFFAOYSA-N 0 0 116.229 2.316 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@@](C)(C=C)CC 767231459 674007936 /nfs/dbraw/zinc/00/79/36/674007936.db2.gz AIXNIQOAQUWZGJ-JQWIXIFHSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@H](C)N(C)C(=O)/C=C/C(C)(C)C 767232754 674007939 /nfs/dbraw/zinc/00/79/39/674007939.db2.gz QRDGDOGDDGAKJJ-DDXVTDLHSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@H](C)N(C)C(=O)/C=C\C(C)(C)C 767232756 674007945 /nfs/dbraw/zinc/00/79/45/674007945.db2.gz QRDGDOGDDGAKJJ-QROTZFDESA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@](C)(C=C)CC 767231458 674007952 /nfs/dbraw/zinc/00/79/52/674007952.db2.gz AIXNIQOAQUWZGJ-CMPLNLGQSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CC(CC)CC 767231475 674007985 /nfs/dbraw/zinc/00/79/85/674007985.db2.gz BUNICMJYHQFRDK-SNVBAGLBSA-N 0 0 195.306 2.293 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CC(CC)CC 767231474 674007992 /nfs/dbraw/zinc/00/79/92/674007992.db2.gz BUNICMJYHQFRDK-JTQLQIEISA-N 0 0 195.306 2.293 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)[C@](C)(C=C)CC 767231461 674007997 /nfs/dbraw/zinc/00/79/97/674007997.db2.gz AIXNIQOAQUWZGJ-ZYHUDNBSSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C1(C)CCCC1 767228931 674008008 /nfs/dbraw/zinc/00/80/08/674008008.db2.gz FJJKCALCGZLZCX-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCC(=O)CC 767700821 674008272 /nfs/dbraw/zinc/00/82/72/674008272.db2.gz UCUCZJWHPFHGOP-SECBINFHSA-N 0 0 198.262 2.111 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCC(=O)CC 767700823 674008297 /nfs/dbraw/zinc/00/82/97/674008297.db2.gz UCUCZJWHPFHGOP-VIFPVBQESA-N 0 0 198.262 2.111 10 30 AEEERN C#Cc1cccc(NC(=O)C2=CCC2)c1 770470459 674008867 /nfs/dbraw/zinc/00/88/67/674008867.db2.gz VXEDRNOAWPKYPL-UHFFFAOYSA-N 0 0 197.237 2.327 10 30 AEEERN CC(C)C(C)(C)C(=O)OC[C@H](C)C#N 784526519 674009573 /nfs/dbraw/zinc/00/95/73/674009573.db2.gz OSNYBIANNFLTGX-SECBINFHSA-N 0 0 197.278 2.371 10 30 AEEERN CC(C)C(C)(C)C(=O)OC[C@@H](C)C#N 784526520 674009716 /nfs/dbraw/zinc/00/97/16/674009716.db2.gz OSNYBIANNFLTGX-VIFPVBQESA-N 0 0 197.278 2.371 10 30 AEEERN C[C@H](OC(=O)CC(C)(C)C#N)C1CC1 784489561 674009742 /nfs/dbraw/zinc/00/97/42/674009742.db2.gz PRADJBABXSBTHV-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN CCCC(CCC)NCC#N 145762706 1169228597 /nfs/dbraw/zinc/22/85/97/1169228597.db2.gz CLISETTYCHVKGQ-UHFFFAOYSA-N 0 0 154.257 2.068 10 30 AEEERN CC1(C)CCCC[C@H]1C(=O)OCC#N 789068728 674009967 /nfs/dbraw/zinc/00/99/67/674009967.db2.gz YYUBMMUATLMBCO-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C=CCCOC(=O)c1ccnc(C)c1 789026051 674010030 /nfs/dbraw/zinc/01/00/30/674010030.db2.gz FJYQFMLRIMHUBY-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN C#CCOC(=O)[C@@H]1CCCCC1(C)C 789061150 674010060 /nfs/dbraw/zinc/01/00/60/674010060.db2.gz BRVFUNXZHXDVOG-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCNC(=O)CC1(C)CCCC1 808393998 674010069 /nfs/dbraw/zinc/01/00/69/674010069.db2.gz ZOKHTWZOAKDVLT-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN CC1(C)CCC1=NOC1CCOCC1 789050600 674010078 /nfs/dbraw/zinc/01/00/78/674010078.db2.gz HXSNUUZPYNXWRM-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN C[C@@H](CC#N)OC(=O)C(C)(C)C1CC1 805882152 674010090 /nfs/dbraw/zinc/01/00/90/674010090.db2.gz SGDBZIDSLOTHCC-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](CC#N)OC(=O)C(C)(C)C1CC1 805882151 674010106 /nfs/dbraw/zinc/01/01/06/674010106.db2.gz SGDBZIDSLOTHCC-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN CC1(C)CCCC[C@@H]1C(=O)OCC#N 789068726 674010113 /nfs/dbraw/zinc/01/01/13/674010113.db2.gz YYUBMMUATLMBCO-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCOC(=O)[C@H]1CCCCC1(C)C 789061157 674010157 /nfs/dbraw/zinc/01/01/57/674010157.db2.gz BRVFUNXZHXDVOG-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)c1ccoc1C(C)C 796392063 674010525 /nfs/dbraw/zinc/01/05/25/674010525.db2.gz ANYQFACOESPMTF-UHFFFAOYSA-N 0 0 192.214 2.193 10 30 AEEERN Cc1ccc(C(=O)OC(C)(C)C#N)o1 796356022 674010683 /nfs/dbraw/zinc/01/06/83/674010683.db2.gz JSSIVHMAZLVWRG-UHFFFAOYSA-N 0 0 193.202 2.047 10 30 AEEERN C#CCN(CC#N)C[C@@H](C)CC(C)C 799200630 674010773 /nfs/dbraw/zinc/01/07/73/674010773.db2.gz DGCBCWIJYJQYAY-LBPRGKRZSA-N 0 0 192.306 2.127 10 30 AEEERN C#CCN(CC#N)CCCCCC=C 799200633 674010808 /nfs/dbraw/zinc/01/08/08/674010808.db2.gz DRNAGHBJJUOOID-UHFFFAOYSA-N 0 0 190.290 2.192 10 30 AEEERN C#CCN(CC#N)C[C@H](C)CC(C)C 799200629 674010827 /nfs/dbraw/zinc/01/08/27/674010827.db2.gz DGCBCWIJYJQYAY-GFCCVEGCSA-N 0 0 192.306 2.127 10 30 AEEERN C#CCN(CC#N)CCC1CCCC1 799200587 674010908 /nfs/dbraw/zinc/01/09/08/674010908.db2.gz CSKMUOQLCIGLFZ-UHFFFAOYSA-N 0 0 190.290 2.025 10 30 AEEERN CC#CC(=O)N1CCC[C@@](C)(CC)C1 801162767 674010938 /nfs/dbraw/zinc/01/09/38/674010938.db2.gz HEQPEKFMDOEDJH-GFCCVEGCSA-N 0 0 193.290 2.048 10 30 AEEERN CC(C)Oc1cc(F)ccc1C#N 146209008 1169231494 /nfs/dbraw/zinc/23/14/94/1169231494.db2.gz QZNFMXMBSQESLB-UHFFFAOYSA-N 0 0 179.194 2.485 10 30 AEEERN C=CCc1ccc(O)c(F)c1 146856957 1169233697 /nfs/dbraw/zinc/23/36/97/1169233697.db2.gz QZUYCUVKLNLQHU-UHFFFAOYSA-N 0 0 152.168 2.260 10 30 AEEERN C=CCc1cc(O)cc(F)c1 147138263 1169234253 /nfs/dbraw/zinc/23/42/53/1169234253.db2.gz GRMWXUDGISXLEH-UHFFFAOYSA-N 0 0 152.168 2.260 10 30 AEEERN CON=C1c2ccccc2CC[C@@H]1F 713735370 674016052 /nfs/dbraw/zinc/01/60/52/674016052.db2.gz ZFRNFGPKZBWHSH-JTQLQIEISA-N 0 0 193.221 2.321 10 30 AEEERN CON=C1c2ccccc2CC[C@H]1F 713735371 674016353 /nfs/dbraw/zinc/01/63/53/674016353.db2.gz ZFRNFGPKZBWHSH-SNVBAGLBSA-N 0 0 193.221 2.321 10 30 AEEERN C=CCOC(=O)NCCCCCC 147070877 1169235277 /nfs/dbraw/zinc/23/52/77/1169235277.db2.gz NDMHCQBXLFZUIQ-UHFFFAOYSA-N 0 0 185.267 2.479 10 30 AEEERN C=C(C)CO[C@@H]1CCCCC1=O 147622490 1169236515 /nfs/dbraw/zinc/23/65/15/1169236515.db2.gz ROGUVOIIIFQLPK-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C=CC[C@H](C)SCCCO 715058784 674019241 /nfs/dbraw/zinc/01/92/41/674019241.db2.gz TZFDWVNZNKORKZ-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN C=CC[C@H](C)Sc1nccnc1N 715070270 674019243 /nfs/dbraw/zinc/01/92/43/674019243.db2.gz QVNDVDJZHVWGOF-ZETCQYMHSA-N 0 0 195.291 2.116 10 30 AEEERN CCN(CC#N)CC[C@@H]1C[C@H]1C1CC1 714825072 674018958 /nfs/dbraw/zinc/01/89/58/674018958.db2.gz WCRDCMVDTMLDTM-NEPJUHHUSA-N 0 0 192.306 2.268 10 30 AEEERN C=C(C)Cn1cc(C)nc1CC 715071424 674019381 /nfs/dbraw/zinc/01/93/81/674019381.db2.gz DJYKCYQWQBCRQW-UHFFFAOYSA-N 0 0 164.252 2.330 10 30 AEEERN C=CCCn1cc(C)nc1CC 715071439 674019594 /nfs/dbraw/zinc/01/95/94/674019594.db2.gz FCCMLAQHXMZSLN-UHFFFAOYSA-N 0 0 164.252 2.330 10 30 AEEERN CCc1nc(C)cn1CCCC#N 715071330 674019599 /nfs/dbraw/zinc/01/95/99/674019599.db2.gz BVSWZCUXFLUJBO-UHFFFAOYSA-N 0 0 177.251 2.058 10 30 AEEERN C=CC[C@H](C)S[C@H](C)[C@@H](C)O 715057864 674019602 /nfs/dbraw/zinc/01/96/02/674019602.db2.gz KZKWLGIYMWDCMT-DJLDLDEBSA-N 0 0 174.309 2.454 10 30 AEEERN C=CC[C@@H](C)S[C@H](C)CCO 715059089 674019660 /nfs/dbraw/zinc/01/96/60/674019660.db2.gz XFVJEGKYYGMWDL-RKDXNWHRSA-N 0 0 174.309 2.455 10 30 AEEERN C=CC[C@H](C)S[C@H](C)[C@H](C)O 715057865 674019699 /nfs/dbraw/zinc/01/96/99/674019699.db2.gz KZKWLGIYMWDCMT-XHNCKOQMSA-N 0 0 174.309 2.454 10 30 AEEERN C=CC[C@@H](C)S[C@@H](C)CCO 715059086 674019791 /nfs/dbraw/zinc/01/97/91/674019791.db2.gz XFVJEGKYYGMWDL-BDAKNGLRSA-N 0 0 174.309 2.455 10 30 AEEERN C=CC[C@H](C)S[C@@H](C)CCO 715059088 674019838 /nfs/dbraw/zinc/01/98/38/674019838.db2.gz XFVJEGKYYGMWDL-IUCAKERBSA-N 0 0 174.309 2.455 10 30 AEEERN C=CC[C@@H](C)SCCCO 715058783 674019839 /nfs/dbraw/zinc/01/98/39/674019839.db2.gz TZFDWVNZNKORKZ-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN C=CC[C@H](C)S[C@H](C)CCO 715059087 674019867 /nfs/dbraw/zinc/01/98/67/674019867.db2.gz XFVJEGKYYGMWDL-DTWKUNHWSA-N 0 0 174.309 2.455 10 30 AEEERN C=CC[C@H](C)S[C@@H](C)[C@H](C)O 715057863 674019899 /nfs/dbraw/zinc/01/98/99/674019899.db2.gz KZKWLGIYMWDCMT-CIUDSAMLSA-N 0 0 174.309 2.454 10 30 AEEERN C=CC[C@@H](C)Sc1nccnc1N 715070268 674019937 /nfs/dbraw/zinc/01/99/37/674019937.db2.gz QVNDVDJZHVWGOF-SSDOTTSWSA-N 0 0 195.291 2.116 10 30 AEEERN C=CC[C@H](C)S[C@@H](C)[C@@H](C)O 715057867 674019951 /nfs/dbraw/zinc/01/99/51/674019951.db2.gz KZKWLGIYMWDCMT-YIZRAAEISA-N 0 0 174.309 2.454 10 30 AEEERN C#CCCCn1cc(C)nc1CC 715090037 674020405 /nfs/dbraw/zinc/02/04/05/674020405.db2.gz BUIPHIFUEUBFST-UHFFFAOYSA-N 0 0 176.263 2.167 10 30 AEEERN C=C(C)CO[C@H]1CCCCC1=O 147622710 1169238735 /nfs/dbraw/zinc/23/87/35/1169238735.db2.gz ROGUVOIIIFQLPK-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CC(C)Cc1ccc(O)c(C#N)c1 147862933 1169242631 /nfs/dbraw/zinc/24/26/31/1169242631.db2.gz AITWQSLHCSVJNM-UHFFFAOYSA-N 0 0 175.231 2.462 10 30 AEEERN C=CCc1ccnn1CCC 148298457 1169244259 /nfs/dbraw/zinc/24/42/59/1169244259.db2.gz QEPWKDRMCBETIL-UHFFFAOYSA-N 0 0 150.225 2.022 10 30 AEEERN CCC[C@@H]1C[C@H]1C(=O)O[C@H](C)CC#N 813067856 674028269 /nfs/dbraw/zinc/02/82/69/674028269.db2.gz DDNPOIKSLGLHDP-OPRDCNLKSA-N 0 0 195.262 2.268 10 30 AEEERN C=C(CC(C)C)C(=O)NCCC 148576474 1169245386 /nfs/dbraw/zinc/24/53/86/1169245386.db2.gz JDODHGLWDLUDPV-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCc1cnn(CCC)c1 148287564 1169245580 /nfs/dbraw/zinc/24/55/80/1169245580.db2.gz KTBPGGQNUFSZFJ-UHFFFAOYSA-N 0 0 150.225 2.022 10 30 AEEERN N#CCCCC(=O)OCc1ccoc1 813063237 674028176 /nfs/dbraw/zinc/02/81/76/674028176.db2.gz NSJLXKHJUCVCKP-UHFFFAOYSA-N 0 0 193.202 2.017 10 30 AEEERN CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)CC#N 813067855 674028231 /nfs/dbraw/zinc/02/82/31/674028231.db2.gz DDNPOIKSLGLHDP-IVZWLZJFSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@H]1CC12CC2 817741913 674029677 /nfs/dbraw/zinc/02/96/77/674029677.db2.gz UUXGIOVRQOGTIX-VHSXEESVSA-N 0 0 192.258 2.132 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@@H]1CC12CC2 817741914 674029732 /nfs/dbraw/zinc/02/97/32/674029732.db2.gz UUXGIOVRQOGTIX-ZJUUUORDSA-N 0 0 192.258 2.132 10 30 AEEERN C=C[C@@H](C)NC(=O)C(F)=C1CCC1 819377690 674029860 /nfs/dbraw/zinc/02/98/60/674029860.db2.gz QAFIBAWVMRZLGF-SSDOTTSWSA-N 0 0 183.226 2.085 10 30 AEEERN C=C[C@H](C)NC(=O)C(F)=C1CCC1 819377691 674029872 /nfs/dbraw/zinc/02/98/72/674029872.db2.gz QAFIBAWVMRZLGF-ZETCQYMHSA-N 0 0 183.226 2.085 10 30 AEEERN C=C(C)CNC(=O)C(F)=C1CCC1 819504482 674030197 /nfs/dbraw/zinc/03/01/97/674030197.db2.gz VQCLKMZEEAMJDF-UHFFFAOYSA-N 0 0 183.226 2.086 10 30 AEEERN C=C(C)CN(C)C(=O)C(F)=C1CCC1 819473020 674030297 /nfs/dbraw/zinc/03/02/97/674030297.db2.gz FONLEFGHIDVNDY-UHFFFAOYSA-N 0 0 197.253 2.428 10 30 AEEERN C=CCN(C)C(=O)C(F)=C1CCC1 819502088 674030316 /nfs/dbraw/zinc/03/03/16/674030316.db2.gz FPLOJSRGJYOQEI-UHFFFAOYSA-N 0 0 183.226 2.038 10 30 AEEERN C=C(C)Cc1ccc(CO)cc1 149125271 1169248869 /nfs/dbraw/zinc/24/88/69/1169248869.db2.gz WXRUDYMIIBTYPB-UHFFFAOYSA-N 0 0 162.232 2.298 10 30 AEEERN N#CCCc1ccc(N)c(Cl)c1 149926717 1169251899 /nfs/dbraw/zinc/25/18/99/1169251899.db2.gz KHZSIAORKZZTAI-UHFFFAOYSA-N 0 0 180.638 2.378 10 30 AEEERN C=CCOC(=O)N1CCCCCC1 149368219 1169252045 /nfs/dbraw/zinc/25/20/45/1169252045.db2.gz MWHNERFNJLIFDW-UHFFFAOYSA-N 0 0 183.251 2.185 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C(/C)CC 835308531 674033992 /nfs/dbraw/zinc/03/39/92/674033992.db2.gz FZDUVRZFFVSOQR-QROTZFDESA-N 0 0 180.247 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C(\C)CC 835308528 674034027 /nfs/dbraw/zinc/03/40/27/674034027.db2.gz FZDUVRZFFVSOQR-AAXQSMANSA-N 0 0 180.247 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C(\C)CC 835308529 674034075 /nfs/dbraw/zinc/03/40/75/674034075.db2.gz FZDUVRZFFVSOQR-DDXVTDLHSA-N 0 0 180.247 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C(/C)CC 835308530 674034195 /nfs/dbraw/zinc/03/41/95/674034195.db2.gz FZDUVRZFFVSOQR-HSTULFTRSA-N 0 0 180.247 2.298 10 30 AEEERN C=C(C)CN(C)C(=O)C#CC(C)(C)C 837515794 674034443 /nfs/dbraw/zinc/03/44/43/674034443.db2.gz BSXCOMXRTFSREJ-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN N#Cc1cncc(-c2cccc(O)c2)c1 156633402 1169254758 /nfs/dbraw/zinc/25/47/58/1169254758.db2.gz XQRKFSANHQFWCI-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=CCCC(=O)O[C@H]1C[C@H](OCC)C1 847920710 674036624 /nfs/dbraw/zinc/03/66/24/674036624.db2.gz JOXIKSAGWHDRAO-MGCOHNPYSA-N 0 0 198.262 2.063 10 30 AEEERN N#Cc1cncc(-c2ccc(O)cc2)c1 156649246 1169255448 /nfs/dbraw/zinc/25/54/48/1169255448.db2.gz JFMUYXJQGNPHAD-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=C(C)CCC(=O)OCC(=C)C 150177830 1169255488 /nfs/dbraw/zinc/25/54/88/1169255488.db2.gz FDHGSINMTKTQED-UHFFFAOYSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H](C)CC#N 850946824 674037241 /nfs/dbraw/zinc/03/72/41/674037241.db2.gz ZQDSWVODQAJKEK-BDAKNGLRSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H](C)CC#N 850946826 674037262 /nfs/dbraw/zinc/03/72/62/674037262.db2.gz ZQDSWVODQAJKEK-IUCAKERBSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@H](C)CC#N 850946827 674037269 /nfs/dbraw/zinc/03/72/69/674037269.db2.gz ZQDSWVODQAJKEK-RKDXNWHRSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@H](C)CC#N 850946825 674037279 /nfs/dbraw/zinc/03/72/79/674037279.db2.gz ZQDSWVODQAJKEK-DTWKUNHWSA-N 0 0 181.235 2.044 10 30 AEEERN CC[C@@H]1CC(=NNC2CCCC2)CO1 853302348 674037527 /nfs/dbraw/zinc/03/75/27/674037527.db2.gz XOMGMLLZYNFWNV-LLVKDONJSA-N 0 0 196.294 2.074 10 30 AEEERN CCC(CC)NN=C1CO[C@H](CC)C1 853308268 674037536 /nfs/dbraw/zinc/03/75/36/674037536.db2.gz CVECCMLHDSRZHX-LLVKDONJSA-N 0 0 198.310 2.320 10 30 AEEERN COCCON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853314368 674037560 /nfs/dbraw/zinc/03/75/60/674037560.db2.gz LNZLTPODJPUFFR-MXWKQRLJSA-N 0 0 197.278 2.071 10 30 AEEERN CC[C@H]1CC(=NNC2CCCC2)CO1 853302350 674037697 /nfs/dbraw/zinc/03/76/97/674037697.db2.gz XOMGMLLZYNFWNV-NSHDSACASA-N 0 0 196.294 2.074 10 30 AEEERN CC(C)CON=C1CO[C@H](C2CC2)C1 853322842 674037740 /nfs/dbraw/zinc/03/77/40/674037740.db2.gz FUOQPQFQRBTONZ-NSHDSACASA-N 0 0 197.278 2.214 10 30 AEEERN CCC(CC)NN=C1CO[C@@H](CC)C1 853308269 674037773 /nfs/dbraw/zinc/03/77/73/674037773.db2.gz CVECCMLHDSRZHX-NSHDSACASA-N 0 0 198.310 2.320 10 30 AEEERN COCCON=C[C@@H]1CC[C@H]2C[C@H]2C1 853314369 674037868 /nfs/dbraw/zinc/03/78/68/674037868.db2.gz LNZLTPODJPUFFR-OUAUKWLOSA-N 0 0 197.278 2.071 10 30 AEEERN FC(F)CNN=C1CCCC12CC2 853310638 674037892 /nfs/dbraw/zinc/03/78/92/674037892.db2.gz KQOUPVAWXNNZJV-UHFFFAOYSA-N 0 0 188.221 2.161 10 30 AEEERN C#CCCOC(=O)N(CC)[C@@H](C)CC 859216222 674039992 /nfs/dbraw/zinc/03/99/92/674039992.db2.gz GRTVMCXKXCDTSY-JTQLQIEISA-N 0 0 197.278 2.267 10 30 AEEERN C#CCCOC(=O)N(CC)[C@H](C)CC 859216223 674040330 /nfs/dbraw/zinc/04/03/30/674040330.db2.gz GRTVMCXKXCDTSY-SNVBAGLBSA-N 0 0 197.278 2.267 10 30 AEEERN C=CCN(C(=O)C12CC(C1)C2)C(C)C 859190005 674040480 /nfs/dbraw/zinc/04/04/80/674040480.db2.gz KKZHXOHAFNWEFV-UHFFFAOYSA-N 0 0 193.290 2.210 10 30 AEEERN Cc1cc(C=NOCC2CC2)ccn1 863115322 674041502 /nfs/dbraw/zinc/04/15/02/674041502.db2.gz KYDLLJAHHLTVDT-UHFFFAOYSA-N 0 0 190.246 2.151 10 30 AEEERN CC(C)OCCON=C[C@H]1CC12CC2 863114381 674041508 /nfs/dbraw/zinc/04/15/08/674041508.db2.gz ICQZWOHWXWHSHS-SNVBAGLBSA-N 0 0 197.278 2.214 10 30 AEEERN C(=NOC1CCC1)[C@H]1CC12CC2 863114781 674041511 /nfs/dbraw/zinc/04/15/11/674041511.db2.gz UHEBIDUODMPPFC-MRVPVSSYSA-N 0 0 165.236 2.341 10 30 AEEERN CC(C)OCCON=C[C@@H]1CC12CC2 863114380 674041555 /nfs/dbraw/zinc/04/15/55/674041555.db2.gz ICQZWOHWXWHSHS-JTQLQIEISA-N 0 0 197.278 2.214 10 30 AEEERN CC(=NOCC1CC1)c1ccns1 863114924 674041562 /nfs/dbraw/zinc/04/15/62/674041562.db2.gz BNGOGVAADPTPNX-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN CC1(O)CCC(=NOCC2CC2)CC1 863114881 674041573 /nfs/dbraw/zinc/04/15/73/674041573.db2.gz AMYJDXXBVMMKPP-UHFFFAOYSA-N 0 0 197.278 2.094 10 30 AEEERN CC1(O)CCC(=NOC2CCC2)CC1 863114286 674041591 /nfs/dbraw/zinc/04/15/91/674041591.db2.gz GFKKGYAGRJKOPE-UHFFFAOYSA-N 0 0 197.278 2.237 10 30 AEEERN C#CCCCCCCN(CC)CC#N 876632524 674042266 /nfs/dbraw/zinc/04/22/66/674042266.db2.gz UYXXFQBYDPWVPX-UHFFFAOYSA-N 0 0 192.306 2.416 10 30 AEEERN N#CCCCCOC1CCC(O)CC1 164197668 1169269567 /nfs/dbraw/zinc/26/95/67/1169269567.db2.gz ZZKXUJYWCAAXTL-UHFFFAOYSA-N 0 0 197.278 2.000 10 30 AEEERN C=CCCCOC1CCC(O)CC1 164201788 1169269984 /nfs/dbraw/zinc/26/99/84/1169269984.db2.gz XNGXWRJDJRPLCJ-UHFFFAOYSA-N 0 0 184.279 2.273 10 30 AEEERN Cc1cc(CN[C@@H](C)CC#N)c(C)o1 164068324 1169270460 /nfs/dbraw/zinc/27/04/60/1169270460.db2.gz QUJGHDRSXMTJRV-QMMMGPOBSA-N 0 0 192.262 2.288 10 30 AEEERN C=CCCCOC1CCC(=O)CC1 164157018 1169270820 /nfs/dbraw/zinc/27/08/20/1169270820.db2.gz TVURBNVDAHEBCG-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCCOC1CCC(=O)CC1 164181256 1169271000 /nfs/dbraw/zinc/27/10/00/1169271000.db2.gz GGLUGQQRRJTQNF-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C#CCON=C1CCC(C)CC1 5645253 674052522 /nfs/dbraw/zinc/05/25/22/674052522.db2.gz ABSQHAHOUYSFAS-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN Cc1cc(CN[C@H](C)CC#N)c(C)o1 164068438 1169271644 /nfs/dbraw/zinc/27/16/44/1169271644.db2.gz QUJGHDRSXMTJRV-MRVPVSSYSA-N 0 0 192.262 2.288 10 30 AEEERN CC(C)CCCN(C)[C@H](C)C#N 165327407 1169273439 /nfs/dbraw/zinc/27/34/39/1169273439.db2.gz IBOYEBNSKQJTBI-SNVBAGLBSA-N 0 0 168.284 2.266 10 30 AEEERN C=Cc1ccc(F)c(C#N)c1 165634975 1169274467 /nfs/dbraw/zinc/27/44/67/1169274467.db2.gz DRMCSJACTSFPSD-UHFFFAOYSA-N 0 0 147.152 2.340 10 30 AEEERN CC(C)CCCN(C)[C@@H](C)C#N 165327272 1169274924 /nfs/dbraw/zinc/27/49/24/1169274924.db2.gz IBOYEBNSKQJTBI-JTQLQIEISA-N 0 0 168.284 2.266 10 30 AEEERN C=CC[C@@H]1CCN1Cc1cscn1 934471822 674056495 /nfs/dbraw/zinc/05/64/95/674056495.db2.gz MWEKMKYGUSHDNJ-SNVBAGLBSA-N 0 0 194.303 2.294 10 30 AEEERN C=CC[C@@H]1CCN1CC(F)(F)F 934469737 674056622 /nfs/dbraw/zinc/05/66/22/674056622.db2.gz GFHZDAMLUPCYPM-SSDOTTSWSA-N 0 0 179.185 2.199 10 30 AEEERN C=CC[C@H]1CCN1CC(F)(F)F 934469743 674056627 /nfs/dbraw/zinc/05/66/27/674056627.db2.gz GFHZDAMLUPCYPM-ZETCQYMHSA-N 0 0 179.185 2.199 10 30 AEEERN C=CC[C@H]1CCN1Cc1cscn1 934471821 674056670 /nfs/dbraw/zinc/05/66/70/674056670.db2.gz MWEKMKYGUSHDNJ-JTQLQIEISA-N 0 0 194.303 2.294 10 30 AEEERN CC(C)Cc1ccnc(C#N)c1 165594911 1169275703 /nfs/dbraw/zinc/27/57/03/1169275703.db2.gz DVOYAJJIIUJRBU-UHFFFAOYSA-N 0 0 160.220 2.152 10 30 AEEERN C=C(Cl)CNCc1cc(C)co1 718071479 674058014 /nfs/dbraw/zinc/05/80/14/674058014.db2.gz WQOPXVBGLRZSDR-UHFFFAOYSA-N 0 0 185.654 2.430 10 30 AEEERN Cc1coc(CNCC(C)(C)C#N)c1 718107453 674058799 /nfs/dbraw/zinc/05/87/99/674058799.db2.gz HFOIAYZFZNJOIN-UHFFFAOYSA-N 0 0 192.262 2.227 10 30 AEEERN CC[C@H](CC#N)NCc1cc(C)co1 718109800 674058904 /nfs/dbraw/zinc/05/89/04/674058904.db2.gz QSCIJJGSNOFMDL-SNVBAGLBSA-N 0 0 192.262 2.370 10 30 AEEERN C#C[C@H](C)Nc1nncc2ccccc12 166903779 1169277851 /nfs/dbraw/zinc/27/78/51/1169277851.db2.gz QGIAYEYTQYNGOM-VIFPVBQESA-N 0 0 197.241 2.063 10 30 AEEERN CC[C@@H](CC#N)NCc1cc(C)co1 718109797 674059071 /nfs/dbraw/zinc/05/90/71/674059071.db2.gz QSCIJJGSNOFMDL-JTQLQIEISA-N 0 0 192.262 2.370 10 30 AEEERN C#C[C@H](C)Nc1ccc2c(n1)CCC2 166917177 1169278010 /nfs/dbraw/zinc/27/80/10/1169278010.db2.gz WFDAZDCEYCAXAT-VIFPVBQESA-N 0 0 186.258 2.004 10 30 AEEERN C#CCCOc1c(F)cccc1F 88121379 674059711 /nfs/dbraw/zinc/05/97/11/674059711.db2.gz FNBBRMHRFCYKNK-UHFFFAOYSA-N 0 0 182.169 2.367 10 30 AEEERN CCCCCCn1ccnc1C#N 87343040 674059788 /nfs/dbraw/zinc/05/97/88/674059788.db2.gz CZZQAXIIGQVPLF-UHFFFAOYSA-N 0 0 177.251 2.335 10 30 AEEERN CC(F)(F)CCCn1ccnc1C#N 718629775 674062970 /nfs/dbraw/zinc/06/29/70/674062970.db2.gz KYYQRHWKKJMANK-UHFFFAOYSA-N 0 0 199.204 2.190 10 30 AEEERN C=CCCN(C)C(=O)c1cc(C)co1 718563999 674063079 /nfs/dbraw/zinc/06/30/79/674063079.db2.gz BPLBEBMEZKXTOS-UHFFFAOYSA-N 0 0 193.246 2.236 10 30 AEEERN CCN(CC#N)CCCC(C)(F)F 718625578 674063095 /nfs/dbraw/zinc/06/30/95/674063095.db2.gz VFSQNZFIZOHFBQ-UHFFFAOYSA-N 0 0 190.237 2.267 10 30 AEEERN C=CCNC(=O)[C@@H]1CCC=CCCC1 719063221 674064283 /nfs/dbraw/zinc/06/42/83/674064283.db2.gz FYPHLBGCMUCCOA-LLVKDONJSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCNC(=O)[C@H]1CCC=CCCC1 719063228 674064744 /nfs/dbraw/zinc/06/47/44/674064744.db2.gz FYPHLBGCMUCCOA-NSHDSACASA-N 0 0 193.290 2.425 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CC 38324838 674071503 /nfs/dbraw/zinc/07/15/03/674071503.db2.gz YBXFIVYBTYFHFB-MRVPVSSYSA-N 0 0 154.209 2.070 10 30 AEEERN C#CCOc1ccccc1OCC=C 38251548 674067278 /nfs/dbraw/zinc/06/72/78/674067278.db2.gz DWQJEGZMBOXUJY-UHFFFAOYSA-N 0 0 188.226 2.263 10 30 AEEERN C#CCCN(C)C1(C(F)(F)F)CC1 720327308 674067324 /nfs/dbraw/zinc/06/73/24/674067324.db2.gz PTGNGRIESVADMI-UHFFFAOYSA-N 0 0 191.196 2.036 10 30 AEEERN Cc1ccc(-c2ncc(C#N)cn2)cc1 168621973 1169289219 /nfs/dbraw/zinc/28/92/19/1169289219.db2.gz HVNJQPOYKLUCMV-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1ccccc1-c1ncc(C#N)cn1 168622325 1169289690 /nfs/dbraw/zinc/28/96/90/1169289690.db2.gz JFRUBDDMUYIYAR-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CC 38324839 674071354 /nfs/dbraw/zinc/07/13/54/674071354.db2.gz YBXFIVYBTYFHFB-QMMMGPOBSA-N 0 0 154.209 2.070 10 30 AEEERN C#CCCNc1ccc([N+](=O)[O-])s1 306416379 674072249 /nfs/dbraw/zinc/07/22/49/674072249.db2.gz RDDSJWBFJUKXQS-UHFFFAOYSA-N 0 0 196.231 2.092 10 30 AEEERN Cc1cc(C(=O)OCC#N)c(C)s1 306367150 674072933 /nfs/dbraw/zinc/07/29/33/674072933.db2.gz IDKOMGIGFPIKTM-UHFFFAOYSA-N 0 0 195.243 2.045 10 30 AEEERN C=C[C@H](C)Oc1ccc(F)nc1 169212754 1169292543 /nfs/dbraw/zinc/29/25/43/1169292543.db2.gz LDDLNFQKDSFMDG-ZETCQYMHSA-N 0 0 167.183 2.174 10 30 AEEERN CC1=CC(=NO)C(C(C)C)=CC1=NO 254764946 674073242 /nfs/dbraw/zinc/07/32/42/674073242.db2.gz QZOSTSJUKMOFDQ-UHFFFAOYSA-N 0 0 194.234 2.189 10 30 AEEERN CCC(=O)[C@H](C#N)c1nc(C)cs1 306502904 674073750 /nfs/dbraw/zinc/07/37/50/674073750.db2.gz OZVFCUSQSSCLET-ZETCQYMHSA-N 0 0 194.259 2.038 10 30 AEEERN CCC(=O)[C@@H](C#N)c1nc(C)cs1 306502902 674073794 /nfs/dbraw/zinc/07/37/94/674073794.db2.gz OZVFCUSQSSCLET-SSDOTTSWSA-N 0 0 194.259 2.038 10 30 AEEERN N#Cc1ccnc(-c2ccccc2O)c1 169472935 1169293439 /nfs/dbraw/zinc/29/34/39/1169293439.db2.gz MKFJJOQHHVJORW-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN CN(C)Cc1ccc(C#N)cc1Cl 169024583 1169293925 /nfs/dbraw/zinc/29/39/25/1169293925.db2.gz AXUQKMWJBUSNDE-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN C=C[C@@H](C)Oc1ccc(F)nc1 169212830 1169293941 /nfs/dbraw/zinc/29/39/41/1169293941.db2.gz LDDLNFQKDSFMDG-SSDOTTSWSA-N 0 0 167.183 2.174 10 30 AEEERN N#Cc1cc2ccc(N)cc2cc1C#N 196418362 1169295425 /nfs/dbraw/zinc/29/54/25/1169295425.db2.gz UNAQEMQAWLDMLJ-UHFFFAOYSA-N 0 0 193.209 2.165 10 30 AEEERN CCC1(CC)CCCN1CC#N 721220230 674078591 /nfs/dbraw/zinc/07/85/91/674078591.db2.gz GVVLTDODGBQCGG-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN C=C(Br)CSC 113086427 674078612 /nfs/dbraw/zinc/07/86/12/674078612.db2.gz DOMDZDDXOLJLFW-UHFFFAOYSA-N 0 0 167.071 2.258 10 30 AEEERN N#Cc1cc(-c2cccnc2)ccn1 199491421 1169298357 /nfs/dbraw/zinc/29/83/57/1169298357.db2.gz UQBWWOAGNJCSMD-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN C=C1CCC(CNC(=O)OC)CC1 724469844 674080699 /nfs/dbraw/zinc/08/06/99/674080699.db2.gz GFICCUYYTCRRLC-UHFFFAOYSA-N 0 0 183.251 2.089 10 30 AEEERN N#CCCN1CCC(F)(C2CC2)CC1 724836732 674080800 /nfs/dbraw/zinc/08/08/00/674080800.db2.gz WAVOIXZJMYKDFD-UHFFFAOYSA-N 0 0 196.269 2.114 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C\c1ccc[nH]1 802203036 674081587 /nfs/dbraw/zinc/08/15/87/674081587.db2.gz FPCHVRIFRABARM-ATJFRQLMSA-N 0 0 191.230 2.146 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C/c1ccc[nH]1 802203040 674081633 /nfs/dbraw/zinc/08/16/33/674081633.db2.gz FPCHVRIFRABARM-UCUJLANTSA-N 0 0 191.230 2.146 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C\c1ccc[nH]1 802203038 674081658 /nfs/dbraw/zinc/08/16/58/674081658.db2.gz FPCHVRIFRABARM-NMTCXDENSA-N 0 0 191.230 2.146 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C/c1ccc[nH]1 802203041 674081668 /nfs/dbraw/zinc/08/16/68/674081668.db2.gz FPCHVRIFRABARM-XCODYQFDSA-N 0 0 191.230 2.146 10 30 AEEERN C=C(C)c1cncc(F)c1 201988593 1169306704 /nfs/dbraw/zinc/30/67/04/1169306704.db2.gz LCWCNUFMLXTVAJ-UHFFFAOYSA-N 0 0 137.157 2.254 10 30 AEEERN C=C(C)COC(=O)CSCCC 202147489 1169308006 /nfs/dbraw/zinc/30/80/06/1169308006.db2.gz COBUIFCYUJJXER-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN CCc1cc(C#N)ccc1C 202955611 1169309541 /nfs/dbraw/zinc/30/95/41/1169309541.db2.gz SQMHGJMYEPGOSA-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN N#Cc1cncc(-c2nccs2)c1 203988808 1169310139 /nfs/dbraw/zinc/31/01/39/1169310139.db2.gz IWWJQPUIPPXLSK-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cccc(C2=CCOCC2)c1 204202378 1169310243 /nfs/dbraw/zinc/31/02/43/1169310243.db2.gz KXEHZTWJGWCYCQ-UHFFFAOYSA-N 0 0 185.226 2.362 10 30 AEEERN N#CCCc1cccc2n[nH]cc12 204586016 1169313898 /nfs/dbraw/zinc/31/38/98/1169313898.db2.gz SXCQZZRETMVSQI-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN CC(C)(O)c1ccc(CCC#N)cc1 204388823 1169315926 /nfs/dbraw/zinc/31/59/26/1169315926.db2.gz JFAUPFZULGZNNW-UHFFFAOYSA-N 0 0 189.258 2.370 10 30 AEEERN N#CCCc1c(F)cc(O)cc1F 214319974 1169334873 /nfs/dbraw/zinc/33/48/73/1169334873.db2.gz YXONXYNETYEUCM-UHFFFAOYSA-N 0 0 183.157 2.127 10 30 AEEERN N#CCCc1cc(F)c(O)c(F)c1 214320063 1169334967 /nfs/dbraw/zinc/33/49/67/1169334967.db2.gz NNHGZPMHPKHVIW-UHFFFAOYSA-N 0 0 183.157 2.127 10 30 AEEERN COc1ccc(CCC#N)cc1C#N 214447816 1169335055 /nfs/dbraw/zinc/33/50/55/1169335055.db2.gz FCUYMOMZMMJCHD-UHFFFAOYSA-N 0 0 186.214 2.023 10 30 AEEERN N#CCc1ccccc1-c1ncc[nH]1 214331873 1169335098 /nfs/dbraw/zinc/33/50/98/1169335098.db2.gz YHBBFOLTLSEREP-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN N#CCc1ccc(-c2ncc[nH]2)cc1 214331950 1169335107 /nfs/dbraw/zinc/33/51/07/1169335107.db2.gz UKPUMVWMXQQOOG-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN N#CCCc1c(F)ccc(O)c1F 214320148 1169335177 /nfs/dbraw/zinc/33/51/77/1169335177.db2.gz MZRAPFPUTIUOBT-UHFFFAOYSA-N 0 0 183.157 2.127 10 30 AEEERN N#CCCc1cc(F)cc(F)c1O 214319729 1169335220 /nfs/dbraw/zinc/33/52/20/1169335220.db2.gz CJFGMKUYSSGCIB-UHFFFAOYSA-N 0 0 183.157 2.127 10 30 AEEERN N#CCCc1cc(Cl)ccc1N 217108957 1169336394 /nfs/dbraw/zinc/33/63/94/1169336394.db2.gz SHXOUZYAWJGDEL-UHFFFAOYSA-N 0 0 180.638 2.378 10 30 AEEERN C=Cc1cc(F)c(C#N)c(OC)c1 217625481 1169337838 /nfs/dbraw/zinc/33/78/38/1169337838.db2.gz JNNQWWCCYVCFHL-UHFFFAOYSA-N 0 0 177.178 2.349 10 30 AEEERN Cc1ccccc1-c1ccnc(C#N)n1 217705639 1169338724 /nfs/dbraw/zinc/33/87/24/1169338724.db2.gz JKXIOUCRFDTBCO-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=Cc1cc(F)c(C#N)c(F)c1 217634945 1169338924 /nfs/dbraw/zinc/33/89/24/1169338924.db2.gz PSFFQUGYWLDBSU-UHFFFAOYSA-N 0 0 165.142 2.479 10 30 AEEERN C=Cc1ccc(F)c(C#N)c1OC 218208709 1169340232 /nfs/dbraw/zinc/34/02/32/1169340232.db2.gz ARZIROCFEKBGOI-UHFFFAOYSA-N 0 0 177.178 2.349 10 30 AEEERN CC(C)Cc1ccncc1C#N 218678364 1169342163 /nfs/dbraw/zinc/34/21/63/1169342163.db2.gz CASRJKJSGGGXBJ-UHFFFAOYSA-N 0 0 160.220 2.152 10 30 AEEERN C=Cc1ccc(F)c(C#N)c1F 218207940 1169343269 /nfs/dbraw/zinc/34/32/69/1169343269.db2.gz FIIOWGWFEVVBRP-UHFFFAOYSA-N 0 0 165.142 2.479 10 30 AEEERN CCSC[C@@H](C)N[C@@H](C#N)CC 219490072 1169345114 /nfs/dbraw/zinc/34/51/14/1169345114.db2.gz JLWXDMUYNBRPKJ-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN CCSC[C@H](C)N[C@H](C#N)CC 219490283 1169346039 /nfs/dbraw/zinc/34/60/39/1169346039.db2.gz JLWXDMUYNBRPKJ-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN CCSC[C@H](C)N[C@@H](C#N)CC 219490137 1169346214 /nfs/dbraw/zinc/34/62/14/1169346214.db2.gz JLWXDMUYNBRPKJ-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN CCSC[C@@H](C)N[C@H](C#N)CC 219490221 1169347555 /nfs/dbraw/zinc/34/75/55/1169347555.db2.gz JLWXDMUYNBRPKJ-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN C[C@@H]1CCC[C@@H](N(C)[C@H](C)C#N)C1 221232346 1169350430 /nfs/dbraw/zinc/35/04/30/1169350430.db2.gz LHFXSULJFAITHK-GMTAPVOTSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC[C@@H](C)C1 221295953 1169350951 /nfs/dbraw/zinc/35/09/51/1169350951.db2.gz WSSAXJXGQOOFMQ-MXWKQRLJSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCC[C@@H](C)C1 221295846 1169351340 /nfs/dbraw/zinc/35/13/40/1169351340.db2.gz WSSAXJXGQOOFMQ-GMTAPVOTSA-N 0 0 180.295 2.457 10 30 AEEERN C=CCc1cc(O)ccc1OC 222310208 1169356402 /nfs/dbraw/zinc/35/64/02/1169356402.db2.gz MSXGINIUVJNMLI-UHFFFAOYSA-N 0 0 164.204 2.129 10 30 AEEERN C=CCN(CC=C)C(=O)C(=C)CC 222333887 1169357219 /nfs/dbraw/zinc/35/72/19/1169357219.db2.gz CJVJQZTVBIKZDT-UHFFFAOYSA-N 0 0 179.263 2.153 10 30 AEEERN N#CCCCCCOC[C@@H]1CCCO1 222859968 1169359611 /nfs/dbraw/zinc/35/96/11/1169359611.db2.gz FZQFNWZZHBUMEG-NSHDSACASA-N 0 0 197.278 2.266 10 30 AEEERN N#CCCCCCOC[C@H]1CCCO1 222859905 1169359810 /nfs/dbraw/zinc/35/98/10/1169359810.db2.gz FZQFNWZZHBUMEG-LLVKDONJSA-N 0 0 197.278 2.266 10 30 AEEERN CCc1ccc(C)cc1C#N 223909422 1169360362 /nfs/dbraw/zinc/36/03/62/1169360362.db2.gz DELUMLOIIRVVGE-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN C=C(C)c1cc(F)ccn1 225640882 1169371682 /nfs/dbraw/zinc/37/16/82/1169371682.db2.gz YBCPKULIRMFWRF-UHFFFAOYSA-N 0 0 137.157 2.254 10 30 AEEERN CCCC[C@@H](CCC)NCC#N 226026191 1169374543 /nfs/dbraw/zinc/37/45/43/1169374543.db2.gz ZLGBTPUBDLEZSH-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN CCCC[C@H](CCC)NCC#N 226026197 1169375663 /nfs/dbraw/zinc/37/56/63/1169375663.db2.gz ZLGBTPUBDLEZSH-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN C#CCc1ccc(F)c(F)c1 226053075 1169375785 /nfs/dbraw/zinc/37/57/85/1169375785.db2.gz RVQIBUKUMJROPR-UHFFFAOYSA-N 0 0 152.143 2.141 10 30 AEEERN C#C[C@H](C)[NH2+]Cc1ccccc1CC 229535241 1169386246 /nfs/dbraw/zinc/38/62/46/1169386246.db2.gz ZZFQDPRLDCJPJD-NSHDSACASA-N 0 0 187.286 2.360 10 30 AEEERN C#C[C@@H](C)[NH2+]Cc1ccccc1CC 229535249 1169386656 /nfs/dbraw/zinc/38/66/56/1169386656.db2.gz ZZFQDPRLDCJPJD-LLVKDONJSA-N 0 0 187.286 2.360 10 30 AEEERN C#CCCCCNC(=O)OCC(C)C 229647088 1169391920 /nfs/dbraw/zinc/39/19/20/1169391920.db2.gz ZMRGSXKRCRRUNB-UHFFFAOYSA-N 0 0 197.278 2.172 10 30 AEEERN CCC[C@@H](C)OCCC#N 230446118 1169397512 /nfs/dbraw/zinc/39/75/12/1169397512.db2.gz JQDGWQLWLMRQNW-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN CCC[C@H](C)OCCC#N 230446134 1169397725 /nfs/dbraw/zinc/39/77/25/1169397725.db2.gz JQDGWQLWLMRQNW-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CCC[C@@H](C)OCCCC#N 230446148 1169398155 /nfs/dbraw/zinc/39/81/55/1169398155.db2.gz IYNFQIRMIHIGPP-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN CCC[C@H](C)OCCCC#N 230446167 1169399624 /nfs/dbraw/zinc/39/96/24/1169399624.db2.gz IYNFQIRMIHIGPP-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN C#CCc1ccc(CC)cc1 230846620 1169401661 /nfs/dbraw/zinc/40/16/61/1169401661.db2.gz IJDCHCWYRLQBER-UHFFFAOYSA-N 0 0 144.217 2.425 10 30 AEEERN C#CCCCNc1ccc(C)cn1 230919937 1169401949 /nfs/dbraw/zinc/40/19/49/1169401949.db2.gz ROWQDWNLINMTGK-UHFFFAOYSA-N 0 0 174.247 2.215 10 30 AEEERN CCOC[C@H](C)OCCCCC#N 233761705 1169411817 /nfs/dbraw/zinc/41/18/17/1169411817.db2.gz KKAMIACZSCHCRD-JTQLQIEISA-N 0 0 185.267 2.122 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)CC(F)(F)F 233889286 1169412443 /nfs/dbraw/zinc/41/24/43/1169412443.db2.gz OLYWWSZMBBZJRP-NKWVEPMBSA-N 0 0 194.200 2.219 10 30 AEEERN CCOC[C@@H](C)OCCCCC#N 233725688 1169412536 /nfs/dbraw/zinc/41/25/36/1169412536.db2.gz KKAMIACZSCHCRD-SNVBAGLBSA-N 0 0 185.267 2.122 10 30 AEEERN C=C(C)CN(CC)c1ncccc1N 233450607 1169412657 /nfs/dbraw/zinc/41/26/57/1169412657.db2.gz WYBLYCLGUWSVST-UHFFFAOYSA-N 0 0 191.278 2.066 10 30 AEEERN C=C(C)CN(CC)c1ccc(N)cn1 233448510 1169412758 /nfs/dbraw/zinc/41/27/58/1169412758.db2.gz KXRGQYKRZOIUCA-UHFFFAOYSA-N 0 0 191.278 2.066 10 30 AEEERN CC[C@H](C#N)N[C@H](C)CC(F)(F)F 233891676 1169413833 /nfs/dbraw/zinc/41/38/33/1169413833.db2.gz OLYWWSZMBBZJRP-RNFRBKRXSA-N 0 0 194.200 2.219 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)CC(F)(F)F 234048502 1169414562 /nfs/dbraw/zinc/41/45/62/1169414562.db2.gz OLYWWSZMBBZJRP-RQJHMYQMSA-N 0 0 194.200 2.219 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)CC(F)(F)F 234042206 1169415777 /nfs/dbraw/zinc/41/57/77/1169415777.db2.gz OLYWWSZMBBZJRP-BQBZGAKWSA-N 0 0 194.200 2.219 10 30 AEEERN C#C[C@@H](C)Oc1cc(C)ccc1C#N 235246949 1169416182 /nfs/dbraw/zinc/41/61/82/1169416182.db2.gz FGLQZJHOIPGQPH-SNVBAGLBSA-N 0 0 185.226 2.267 10 30 AEEERN C#C[C@@H](C)Oc1cc(F)cc(C#N)c1 235251512 1169417004 /nfs/dbraw/zinc/41/70/04/1169417004.db2.gz NDNCAOKZVXHZEQ-MRVPVSSYSA-N 0 0 189.189 2.098 10 30 AEEERN CC(C)Oc1ccc(F)c(C#N)c1 238154236 1169417872 /nfs/dbraw/zinc/41/78/72/1169417872.db2.gz UPBMCOLJIBPOLK-UHFFFAOYSA-N 0 0 179.194 2.485 10 30 AEEERN C#C[C@H](C)Oc1ccc(C(C)=O)cc1 235566458 1169418644 /nfs/dbraw/zinc/41/86/44/1169418644.db2.gz UNLAOGOTHQTUEO-VIFPVBQESA-N 0 0 188.226 2.290 10 30 AEEERN C=CCc1c[nH]c2ncccc12 238099158 1169419161 /nfs/dbraw/zinc/41/91/61/1169419161.db2.gz QYMCTPHNOKUTHJ-UHFFFAOYSA-N 0 0 158.204 2.291 10 30 AEEERN C#Cc1cccc(-c2cnccn2)c1 238008805 1169419417 /nfs/dbraw/zinc/41/94/17/1169419417.db2.gz UZEOJZSMKPGNRF-UHFFFAOYSA-N 0 0 180.210 2.125 10 30 AEEERN N#CCCCc1ccc(O)cc1F 238715872 1169421547 /nfs/dbraw/zinc/42/15/47/1169421547.db2.gz GTKLKRBQMPZOGJ-UHFFFAOYSA-N 0 0 179.194 2.378 10 30 AEEERN N#Cc1ccccc1-c1ncccc1N 238654937 1169421662 /nfs/dbraw/zinc/42/16/62/1169421662.db2.gz MWYGLLILHPHHEY-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1ccc(C2CC2)c(N)c1 238609719 1169421919 /nfs/dbraw/zinc/42/19/19/1169421919.db2.gz JNXIRSABKXCZIA-UHFFFAOYSA-N 0 0 158.204 2.018 10 30 AEEERN N#Cc1ccc(-c2ncccc2N)cc1 238654720 1169422804 /nfs/dbraw/zinc/42/28/04/1169422804.db2.gz BJJZQOONFNYWND-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1ccccc1-c1ccnc(N)c1 238620336 1169422809 /nfs/dbraw/zinc/42/28/09/1169422809.db2.gz MSPGRGOHCPIDMM-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CCNc1cc(F)ccc1C#N 238621666 1169422841 /nfs/dbraw/zinc/42/28/41/1169422841.db2.gz PFTDRLJDFZHDMZ-UHFFFAOYSA-N 0 0 176.194 2.295 10 30 AEEERN N#Cc1c(F)cc(OC2CC2)cc1F 238639402 1169422985 /nfs/dbraw/zinc/42/29/85/1169422985.db2.gz WXETZDTYAAPOOP-UHFFFAOYSA-N 0 0 195.168 2.378 10 30 AEEERN CC[C@@H](C)CN1CCCC[C@H]1C#N 251754149 1169430348 /nfs/dbraw/zinc/43/03/48/1169430348.db2.gz HDIMRWIJBCIOKB-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H](C)N(C)[C@H](C)C#N 251357452 1169429159 /nfs/dbraw/zinc/42/91/59/1169429159.db2.gz RTEOOFVZTXVCHP-DTWKUNHWSA-N 0 0 154.257 2.019 10 30 AEEERN CCC[C@@H](C)N(C)[C@H](C)C#N 251357454 1169429139 /nfs/dbraw/zinc/42/91/39/1169429139.db2.gz RTEOOFVZTXVCHP-RKDXNWHRSA-N 0 0 154.257 2.019 10 30 AEEERN CCC[C@H](C)CN1CCC[C@H]1C#N 251275250 1169429369 /nfs/dbraw/zinc/42/93/69/1169429369.db2.gz FQJNUAFWDHIFEE-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@@H](C)CN1CCC[C@H]1C#N 251275247 1169429391 /nfs/dbraw/zinc/42/93/91/1169429391.db2.gz FQJNUAFWDHIFEE-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C)CN1CCC[C@H]1C#N 251728472 1169430067 /nfs/dbraw/zinc/43/00/67/1169430067.db2.gz FIYIUCIILXXYJL-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CCC[C@H](N(C)[C@H](C)C#N)C1 251784644 1169430295 /nfs/dbraw/zinc/43/02/95/1169430295.db2.gz LHFXSULJFAITHK-MXWKQRLJSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H]1CC[C@@H](OCC#N)C[C@H]1C 251650043 1169430452 /nfs/dbraw/zinc/43/04/52/1169430452.db2.gz FNLDVXXRDRLWOY-OPRDCNLKSA-N 0 0 167.252 2.351 10 30 AEEERN CC[C@@H](C)CN1CCC[C@H]1C#N 251728480 1169431315 /nfs/dbraw/zinc/43/13/15/1169431315.db2.gz FIYIUCIILXXYJL-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CC[C@@H](N(C)CC#N)C[C@H]1C 251874975 1169431758 /nfs/dbraw/zinc/43/17/58/1169431758.db2.gz QUULHGFLCGWZGK-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H](OCC#N)C1 252168869 1169431803 /nfs/dbraw/zinc/43/18/03/1169431803.db2.gz QWAVECFIDHSAFH-MYJAWHEDSA-N 0 0 167.252 2.351 10 30 AEEERN CC[C@H](C)CN1CCCC[C@H]1C#N 251754152 1169431855 /nfs/dbraw/zinc/43/18/55/1169431855.db2.gz HDIMRWIJBCIOKB-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H]1CC[C@H](OCC#N)C[C@H]1C 251650042 1169431870 /nfs/dbraw/zinc/43/18/70/1169431870.db2.gz FNLDVXXRDRLWOY-BBBLOLIVSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@@H]1CC[C@H](N(C)CC#N)C[C@H]1C 251874977 1169432226 /nfs/dbraw/zinc/43/22/26/1169432226.db2.gz QUULHGFLCGWZGK-MXWKQRLJSA-N 0 0 180.295 2.266 10 30 AEEERN N#Cc1cnccc1-c1nccs1 259789369 1169442998 /nfs/dbraw/zinc/44/29/98/1169442998.db2.gz XIWIREBAGBEHRB-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1ccc(-c2cnc(C#N)cn2)cc1 259665916 1169438882 /nfs/dbraw/zinc/43/88/82/1169438882.db2.gz KCEPORSQTDHQPB-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN COc1c(C)cccc1CCC#N 259656622 1169438907 /nfs/dbraw/zinc/43/89/07/1169438907.db2.gz KFLMHRXZEVBLBR-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN N#Cc1cccnc1-c1cscn1 259661917 1169439635 /nfs/dbraw/zinc/43/96/35/1169439635.db2.gz KGVCBWKMOWFTSX-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1ccsc1CN(C)[C@@H](C)C#N 258698528 1169439834 /nfs/dbraw/zinc/43/98/34/1169439834.db2.gz DLYVZUHZYHLQIY-VIFPVBQESA-N 0 0 194.303 2.400 10 30 AEEERN N#Cc1cccc(-c2cscn2)n1 259624872 1169439852 /nfs/dbraw/zinc/43/98/52/1169439852.db2.gz HBJHZGDFHXXKEB-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1ccsc1CN(C)[C@H](C)C#N 258698524 1169440054 /nfs/dbraw/zinc/44/00/54/1169440054.db2.gz DLYVZUHZYHLQIY-SECBINFHSA-N 0 0 194.303 2.400 10 30 AEEERN Cc1ccc(-c2ccncc2C#N)cn1 259672315 1169440367 /nfs/dbraw/zinc/44/03/67/1169440367.db2.gz KOPALWPYOJNKQW-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=C(C)c1cnn(C(C)C)c1 259133838 1169440905 /nfs/dbraw/zinc/44/09/05/1169440905.db2.gz GGEKDRCXURIDIN-UHFFFAOYSA-N 0 0 150.225 2.497 10 30 AEEERN Cc1ccccc1-c1cc(C#N)cnn1 259856355 1169441694 /nfs/dbraw/zinc/44/16/94/1169441694.db2.gz ZSJLJDGITYOIBV-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1ccc(-c2ccccc2O)nc1 259806119 1169441874 /nfs/dbraw/zinc/44/18/74/1169441874.db2.gz VQCXRPJJNREUNH-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN CC[C@@H](C)c1ccncc1C#N 259853333 1169441909 /nfs/dbraw/zinc/44/19/09/1169441909.db2.gz RFQIRGQXLOYFQC-MRVPVSSYSA-N 0 0 160.220 2.467 10 30 AEEERN N#CCCc1ccc2c(c1)OCC2 259760487 1169441947 /nfs/dbraw/zinc/44/19/47/1169441947.db2.gz KXTVPCMDNVCVLC-UHFFFAOYSA-N 0 0 173.215 2.078 10 30 AEEERN N#Cc1cnccc1-c1ccc(F)nc1 259826442 1169441974 /nfs/dbraw/zinc/44/19/74/1169441974.db2.gz JMECUJIESVTJJU-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1cccc(-c2cncc(C#N)n2)c1 259841484 1169442388 /nfs/dbraw/zinc/44/23/88/1169442388.db2.gz YQCGUCVKTFVUHG-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CN(CC#N)c1cccc2cc[nH]c12 259755609 1169442523 /nfs/dbraw/zinc/44/25/23/1169442523.db2.gz ULPWPBVYBYWRDT-UHFFFAOYSA-N 0 0 185.230 2.128 10 30 AEEERN Cc1cccc(-c2ccnc(C#N)c2)n1 259723087 1169442674 /nfs/dbraw/zinc/44/26/74/1169442674.db2.gz OMROGCAOEQSZER-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CCCCc1ccc2n[nH]cc2c1 259751394 1169442703 /nfs/dbraw/zinc/44/27/03/1169442703.db2.gz UATQHXIFTJJLDA-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN N#Cc1cnccc1-c1ccc(O)cc1 259748804 1169442759 /nfs/dbraw/zinc/44/27/59/1169442759.db2.gz QVJIMWUAUHFVSZ-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN Cn1cnc2ccc(CCC#N)cc21 259807848 1169442868 /nfs/dbraw/zinc/44/28/68/1169442868.db2.gz ZHDVMFXYORWVTN-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN N#Cc1cc(-c2cscn2)ccn1 259773371 1169442918 /nfs/dbraw/zinc/44/29/18/1169442918.db2.gz VVYYZZKDPRONMP-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1nc(C#N)cnc1-c1ccccc1 259701689 1169442949 /nfs/dbraw/zinc/44/29/49/1169442949.db2.gz MYHZRCZBIRJPFJ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1cncc(-c2ccnc(C#N)c2)c1 259732304 1169442972 /nfs/dbraw/zinc/44/29/72/1169442972.db2.gz PIWRRKHQSLURBP-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1cc(CCC#N)cc(C)n1 259843991 1169442975 /nfs/dbraw/zinc/44/29/75/1169442975.db2.gz QAZSJPTVHNYWKQ-UHFFFAOYSA-N 0 0 160.220 2.155 10 30 AEEERN Cc1ccc(-c2ccnc(C#N)c2)cn1 259758199 1169443049 /nfs/dbraw/zinc/44/30/49/1169443049.db2.gz RNKBQHFNYLOJGI-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1noc(C)c1-c1ccncc1C#N 259849395 1169443079 /nfs/dbraw/zinc/44/30/79/1169443079.db2.gz LMYNLLNEQSVFMG-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN N#Cc1cnc(-c2cccc(F)c2)cn1 259710745 1169443142 /nfs/dbraw/zinc/44/31/42/1169443142.db2.gz IXQXBCIOVBTJLB-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN COc1cc(CCC#N)ccc1F 259780280 1169443228 /nfs/dbraw/zinc/44/32/28/1169443228.db2.gz WNVUMFNVCZVZMM-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN N#CCCCc1cccc2[nH]cnc12 259687614 1169443415 /nfs/dbraw/zinc/44/34/15/1169443415.db2.gz MUBLWQAMHDQLDF-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN N#Cc1cc(-c2cncs2)ccn1 259809327 1169443470 /nfs/dbraw/zinc/44/34/70/1169443470.db2.gz ZIWSNLDEEWHXTJ-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cnccc1-c1cccnc1F 259834719 1169443825 /nfs/dbraw/zinc/44/38/25/1169443825.db2.gz KAYQMQTYWVTDLM-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1cccc(-c2ccncc2C#N)n1 259732188 1169443903 /nfs/dbraw/zinc/44/39/03/1169443903.db2.gz PFJSWNGYNJWWRB-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC[C@H](C)c1ccncc1C#N 259853343 1169444034 /nfs/dbraw/zinc/44/40/34/1169444034.db2.gz RFQIRGQXLOYFQC-QMMMGPOBSA-N 0 0 160.220 2.467 10 30 AEEERN N#CCCc1cnccc1Cl 260331124 1169448589 /nfs/dbraw/zinc/44/85/89/1169448589.db2.gz CJHNMKGGUTZWHJ-UHFFFAOYSA-N 0 0 166.611 2.191 10 30 AEEERN Cc1cccc(-c2cnc(C#N)cn2)c1 259818298 1169444076 /nfs/dbraw/zinc/44/40/76/1169444076.db2.gz WNKIMLJUWMTMBI-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1cnccc1Nc1ccccn1 259724417 1169444105 /nfs/dbraw/zinc/44/41/05/1169444105.db2.gz NFEKCGFOHOKMPD-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN Cc1ccccc1-c1cncc(C#N)n1 259705512 1169444127 /nfs/dbraw/zinc/44/41/27/1169444127.db2.gz NFCKGUZYHVITEJ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1cnccc1-c1cscn1 259741444 1169444134 /nfs/dbraw/zinc/44/41/34/1169444134.db2.gz SCIOJSPMMWSDBI-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1ncncc1-c1ccccc1C#N 260697739 1169451168 /nfs/dbraw/zinc/45/11/68/1169451168.db2.gz KPDLHQQGBXMQGS-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1cnnc(-c2ccc(F)cc2)c1 259916765 1169444668 /nfs/dbraw/zinc/44/46/68/1169444668.db2.gz CVAIZNLGDFSHPO-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN COCc1cccc(CCC#N)c1 260042077 1169444732 /nfs/dbraw/zinc/44/47/32/1169444732.db2.gz HQWNGOOFOKQKOF-UHFFFAOYSA-N 0 0 175.231 2.289 10 30 AEEERN COc1c(O)cccc1CCCC#N 260008431 1169444806 /nfs/dbraw/zinc/44/48/06/1169444806.db2.gz FMGMGZXJEDDDMA-UHFFFAOYSA-N 0 0 191.230 2.247 10 30 AEEERN N#Cc1cncc(-c2ccccc2F)n1 260039827 1169444940 /nfs/dbraw/zinc/44/49/40/1169444940.db2.gz ZPZKXMHVKDVTGA-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1noc(C)c1-c1ccnc(C#N)c1 259929582 1169445143 /nfs/dbraw/zinc/44/51/43/1169445143.db2.gz RVCCGWRFVQDZTR-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN N#Cc1cccc(-c2nccs2)n1 259993451 1169445169 /nfs/dbraw/zinc/44/51/69/1169445169.db2.gz FPJWYQMXAUYBIP-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cc(-c2ccc(F)cn2)ccn1 259914186 1169445228 /nfs/dbraw/zinc/44/52/28/1169445228.db2.gz QOCCQGTVTSQUQE-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CCc1cncc(CCC#N)c1 260091148 1169445294 /nfs/dbraw/zinc/44/52/94/1169445294.db2.gz OCJCRHYWOHDYNO-UHFFFAOYSA-N 0 0 160.220 2.100 10 30 AEEERN N#CCCc1cccc2c[nH]nc12 260066805 1169445423 /nfs/dbraw/zinc/44/54/23/1169445423.db2.gz IPBUJFALJDMLTH-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN N#CCCc1cccc2c1OCC2 259893320 1169445447 /nfs/dbraw/zinc/44/54/47/1169445447.db2.gz XOQZIWZGJIDJNQ-UHFFFAOYSA-N 0 0 173.215 2.078 10 30 AEEERN N#Cc1cnnc(-c2ccccc2F)c1 259875708 1169445470 /nfs/dbraw/zinc/44/54/70/1169445470.db2.gz NUGYCCQTEIIUCK-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN COc1cc(CCC#N)c(F)cc1F 260028261 1169445532 /nfs/dbraw/zinc/44/55/32/1169445532.db2.gz GUPDHBGUMWBEBS-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN COc1cc(CCC#N)c(Cl)cn1 259997278 1169445553 /nfs/dbraw/zinc/44/55/53/1169445553.db2.gz FYVFACXKOPVDED-UHFFFAOYSA-N 0 0 196.637 2.200 10 30 AEEERN Cc1cccc(-c2cc(C#N)cnn2)c1 259890838 1169445564 /nfs/dbraw/zinc/44/55/64/1169445564.db2.gz AASJMGXGLDUWOX-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1ccc(Nc2cnoc2)cc1 259890322 1169445583 /nfs/dbraw/zinc/44/55/83/1169445583.db2.gz BSLJJUBHKFCSAH-UHFFFAOYSA-N 0 0 185.186 2.290 10 30 AEEERN COc1ncc(CCC#N)cc1Cl 259955446 1169445751 /nfs/dbraw/zinc/44/57/51/1169445751.db2.gz CHPYNKSFMPXIAY-UHFFFAOYSA-N 0 0 196.637 2.200 10 30 AEEERN N#Cc1cnnc(-c2cccc(F)c2)c1 260033066 1169445776 /nfs/dbraw/zinc/44/57/76/1169445776.db2.gz ZENHKZFRXXNWEU-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN N#Cc1cncc(-c2cccc(F)c2)n1 260010421 1169445786 /nfs/dbraw/zinc/44/57/86/1169445786.db2.gz XYNQHSJPWIZVKD-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1n[nH]c2cc(CCC#N)ccc12 259943705 1169445853 /nfs/dbraw/zinc/44/58/53/1169445853.db2.gz FBHXBJIEJHVOHT-UHFFFAOYSA-N 0 0 185.230 2.328 10 30 AEEERN COc1ccc(CCC#N)c(F)c1F 260003785 1169445898 /nfs/dbraw/zinc/44/58/98/1169445898.db2.gz GGJYGBPROPWSIM-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN Cc1ccc(F)c(CCC#N)c1O 259983011 1169445932 /nfs/dbraw/zinc/44/59/32/1169445932.db2.gz HKQKRPIRFZDAOB-UHFFFAOYSA-N 0 0 179.194 2.296 10 30 AEEERN CC(C)(O)c1cccc(CCC#N)c1 260065136 1169446123 /nfs/dbraw/zinc/44/61/23/1169446123.db2.gz AOUNIUJBHJQFMB-UHFFFAOYSA-N 0 0 189.258 2.370 10 30 AEEERN N#CCCc1ccc2cc[nH]c(=O)c2c1 260048178 1169446550 /nfs/dbraw/zinc/44/65/50/1169446550.db2.gz IBIHPNKXEBAUOL-UHFFFAOYSA-N 0 0 198.225 2.397 10 30 AEEERN Cn1ncc2ccc(CCCC#N)cc21 260028425 1169446672 /nfs/dbraw/zinc/44/66/72/1169446672.db2.gz GXUVIZNOALSKJO-UHFFFAOYSA-N 0 0 199.257 2.420 10 30 AEEERN N#CCCc1ccc2c[nH]nc2c1 260010582 1169446786 /nfs/dbraw/zinc/44/67/86/1169446786.db2.gz GIOWZAZNKHZBKN-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN Cc1cnc(-c2cccnc2)c(C#N)c1 260202294 1169447440 /nfs/dbraw/zinc/44/74/40/1169447440.db2.gz FTGCWTGLFNSVHC-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CCCc1ccc2n[nH]cc2c1 260472663 1169447448 /nfs/dbraw/zinc/44/74/48/1169447448.db2.gz OQDSWGTTWVMURY-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN Cc1ccc(CCC#N)c(O)c1 260429201 1169447523 /nfs/dbraw/zinc/44/75/23/1169447523.db2.gz MIVZYEBDDBIPNY-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN N#C[C@H]1CC[C@@H](Oc2cccnc2)C1 260399550 1169447639 /nfs/dbraw/zinc/44/76/39/1169447639.db2.gz DGCKKTQWJQQHDW-VHSXEESVSA-N 0 0 188.230 2.153 10 30 AEEERN N#CCCCc1cc(CO)ccc1F 260332071 1169447936 /nfs/dbraw/zinc/44/79/36/1169447936.db2.gz ZCKXPZIHGQJDAS-UHFFFAOYSA-N 0 0 193.221 2.164 10 30 AEEERN Cn1ncc2cccc(CCCC#N)c21 260211482 1169447972 /nfs/dbraw/zinc/44/79/72/1169447972.db2.gz RAOAKQKFOFPUMC-UHFFFAOYSA-N 0 0 199.257 2.420 10 30 AEEERN N#CCCCc1cccc2c1OCO2 260289000 1169448055 /nfs/dbraw/zinc/44/80/55/1169448055.db2.gz WJKHBOJEYOQMCG-UHFFFAOYSA-N 0 0 189.214 2.262 10 30 AEEERN N#C[C@@H]1CC[C@@H](Oc2cccnc2)C1 260399545 1169448151 /nfs/dbraw/zinc/44/81/51/1169448151.db2.gz DGCKKTQWJQQHDW-NXEZZACHSA-N 0 0 188.230 2.153 10 30 AEEERN COc1cc(O)ccc1CCCC#N 260214965 1169448287 /nfs/dbraw/zinc/44/82/87/1169448287.db2.gz RFDFAHRYXLKHER-UHFFFAOYSA-N 0 0 191.230 2.247 10 30 AEEERN Cc1cnc(-c2ccncc2)c(C#N)c1 260298740 1169448294 /nfs/dbraw/zinc/44/82/94/1169448294.db2.gz HZKVIHHTYBSSLK-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CCCc1cc(F)c(O)cc1F 260168324 1169448326 /nfs/dbraw/zinc/44/83/26/1169448326.db2.gz OLOZDRKPWBMHAJ-UHFFFAOYSA-N 0 0 183.157 2.127 10 30 AEEERN COCc1ccc(CCC#N)cc1 260305077 1169448583 /nfs/dbraw/zinc/44/85/83/1169448583.db2.gz XIRBWLWYVDNKEG-UHFFFAOYSA-N 0 0 175.231 2.289 10 30 AEEERN N#CCCCc1ccc(F)c(CO)c1 260192974 1169448817 /nfs/dbraw/zinc/44/88/17/1169448817.db2.gz PZUCEORUSRETDU-UHFFFAOYSA-N 0 0 193.221 2.164 10 30 AEEERN N#Cc1ccccc1Nc1cnoc1 260203688 1169448822 /nfs/dbraw/zinc/44/88/22/1169448822.db2.gz NMDMYTXBVQBGQH-UHFFFAOYSA-N 0 0 185.186 2.290 10 30 AEEERN COc1c(F)ccc(CCC#N)c1F 260281561 1169448999 /nfs/dbraw/zinc/44/89/99/1169448999.db2.gz VZLLJGWOFOKXCG-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN Cc1cc(CCC#N)cc(O)c1F 260319431 1169449073 /nfs/dbraw/zinc/44/90/73/1169449073.db2.gz YFVFWKCSKNQLDR-UHFFFAOYSA-N 0 0 179.194 2.296 10 30 AEEERN N#CCCCc1cccc2c[nH]nc12 260285870 1169449079 /nfs/dbraw/zinc/44/90/79/1169449079.db2.gz WDJNMIUKUFELES-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN N#Cc1ccnnc1-c1ccccc1 260334290 1169449081 /nfs/dbraw/zinc/44/90/81/1169449081.db2.gz XNFHASDGQPMCMU-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#CCCC1=CCSCC1 260181520 1169449087 /nfs/dbraw/zinc/44/90/87/1169449087.db2.gz QQSIBEAINKPHOR-UHFFFAOYSA-N 0 0 153.250 2.353 10 30 AEEERN COc1ccc(O)cc1CCCC#N 260298909 1169449163 /nfs/dbraw/zinc/44/91/63/1169449163.db2.gz XASBYTYHBYCREB-UHFFFAOYSA-N 0 0 191.230 2.247 10 30 AEEERN N#CCCc1cc2cccnc2[nH]1 260434392 1169449259 /nfs/dbraw/zinc/44/92/59/1169449259.db2.gz MPVUJVYPFIYUCA-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN N#CCCCc1ccc2c[nH]nc2c1 260270056 1169449293 /nfs/dbraw/zinc/44/92/93/1169449293.db2.gz VGVAIGWGHGENRN-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN COc1ccc(F)c(F)c1CCC#N 260560652 1169449331 /nfs/dbraw/zinc/44/93/31/1169449331.db2.gz YJMZPERMHTXZDY-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN N#CCCc1ccc(O)c(F)c1F 260175162 1169449496 /nfs/dbraw/zinc/44/94/96/1169449496.db2.gz OWYBTWOVPZWDGN-UHFFFAOYSA-N 0 0 183.157 2.127 10 30 AEEERN N#Cc1ccnc(-c2nccs2)c1 260290998 1169449523 /nfs/dbraw/zinc/44/95/23/1169449523.db2.gz SDKCYQGHZXOHLO-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#CCCCc1ccc2c(c1)OCC2 260301861 1169449558 /nfs/dbraw/zinc/44/95/58/1169449558.db2.gz XEXSALIATIXGNI-UHFFFAOYSA-N 0 0 187.242 2.468 10 30 AEEERN COCc1ccccc1CCC#N 260307552 1169449578 /nfs/dbraw/zinc/44/95/78/1169449578.db2.gz XOECGRBVPNXCIY-UHFFFAOYSA-N 0 0 175.231 2.289 10 30 AEEERN N#CCCCc1ccccc1C#N 260326361 1169449620 /nfs/dbraw/zinc/44/96/20/1169449620.db2.gz YQLBHNUBYUHKGU-UHFFFAOYSA-N 0 0 170.215 2.405 10 30 AEEERN N#Cc1cccc(Nc2cnoc2)c1 260314585 1169449663 /nfs/dbraw/zinc/44/96/63/1169449663.db2.gz UDSUNCVDMHCXQM-UHFFFAOYSA-N 0 0 185.186 2.290 10 30 AEEERN COc1ccc(CCCC#N)cc1N 260995519 1169450305 /nfs/dbraw/zinc/45/03/05/1169450305.db2.gz FCEKTXFMDJDSTF-UHFFFAOYSA-N 0 0 190.246 2.124 10 30 AEEERN N#CCCCc1cccc(CCO)c1 260994852 1169450477 /nfs/dbraw/zinc/45/04/77/1169450477.db2.gz DZMYJJPPPXBTIV-UHFFFAOYSA-N 0 0 189.258 2.068 10 30 AEEERN Cc1cc(-c2ccccc2C#N)ncn1 260695030 1169450485 /nfs/dbraw/zinc/45/04/85/1169450485.db2.gz KKAUIVRQUMEEFW-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CCn1nccc1-c1ccc(C#N)cc1 260600359 1169450577 /nfs/dbraw/zinc/45/05/77/1169450577.db2.gz AYXMEBUYTCOYGV-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN N#Cc1cccc(-c2ccccc2N)n1 260876176 1169450690 /nfs/dbraw/zinc/45/06/90/1169450690.db2.gz YUOWJDAFWJTAIV-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cnccc1-c1ccccc1N 260819366 1169450697 /nfs/dbraw/zinc/45/06/97/1169450697.db2.gz OGNVZEMNNMVBEW-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN COc1ncc(Cl)cc1CCC#N 261008293 1169450728 /nfs/dbraw/zinc/45/07/28/1169450728.db2.gz XRIGYDLUCMOYAV-UHFFFAOYSA-N 0 0 196.637 2.200 10 30 AEEERN Cc1cc(CCC#N)c(C)o1 260646899 1169450882 /nfs/dbraw/zinc/45/08/82/1169450882.db2.gz ZZPOFSZMSCSYIP-UHFFFAOYSA-N 0 0 149.193 2.353 10 30 AEEERN N#Cc1cccc(-c2ccc(N)cc2)n1 260862461 1169451201 /nfs/dbraw/zinc/45/12/01/1169451201.db2.gz WILXBLMIRXTTHE-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cnccc1-c1ccc(N)cc1 260880811 1169451282 /nfs/dbraw/zinc/45/12/82/1169451282.db2.gz ZVSWMNNGLGOGOS-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1ncncc1-c1cccc(F)c1 260824043 1169451334 /nfs/dbraw/zinc/45/13/34/1169451334.db2.gz YWWAKPWSXHEZEK-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1c(-c2ccc(C#N)cc2)cnn1C 260757086 1169451733 /nfs/dbraw/zinc/45/17/33/1169451733.db2.gz QKMQXFABVQDYKR-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN Cc1cc(-c2ccc(C#N)cc2)ncn1 260692571 1169451746 /nfs/dbraw/zinc/45/17/46/1169451746.db2.gz KAXBCZYWGKPRPO-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1ccc(-c2ccccc2N)cn1 260703057 1169451904 /nfs/dbraw/zinc/45/19/04/1169451904.db2.gz BGRZIXFNALNTOV-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cc(-c2ccccc2N)ccn1 260736869 1169451974 /nfs/dbraw/zinc/45/19/74/1169451974.db2.gz FFIWPQMAOKJIMT-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN Cc1ncncc1-c1ccc(C#N)cc1 260661629 1169452004 /nfs/dbraw/zinc/45/20/04/1169452004.db2.gz HOBGGFRTQNROKO-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1cc(-c2ccc(C#N)cc2)n(C)n1 260730697 1169452009 /nfs/dbraw/zinc/45/20/09/1169452009.db2.gz NXEKWPTVJDTNNY-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN CN(C)Cc1ccc(Cl)cc1C#N 260843879 1169452222 /nfs/dbraw/zinc/45/22/22/1169452222.db2.gz SLVWJZZGGSDUOU-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN COc1cc(C)ccc1CCC#N 260602644 1169452311 /nfs/dbraw/zinc/45/23/11/1169452311.db2.gz WNNHOAOQFYJTDC-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN N#Cc1ncncc1-c1ccccc1F 260615670 1169452371 /nfs/dbraw/zinc/45/23/71/1169452371.db2.gz CIWPQBOXRCFGGH-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CCC(CC)OCCC#N 261039288 1169452400 /nfs/dbraw/zinc/45/24/00/1169452400.db2.gz HKBUEZQEABKAPQ-UHFFFAOYSA-N 0 0 141.214 2.105 10 30 AEEERN N#CCCCc1ccc(CCO)cc1 260865406 1169452475 /nfs/dbraw/zinc/45/24/75/1169452475.db2.gz DFUVEFSUTITHDC-UHFFFAOYSA-N 0 0 189.258 2.068 10 30 AEEERN N#Cc1ccnc(-c2cccc(O)c2)c1 260693953 1169452433 /nfs/dbraw/zinc/45/24/33/1169452433.db2.gz KGBRSTJMWCPXOL-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN N#CCCc1cccc(-n2cccn2)c1 261034018 1169452561 /nfs/dbraw/zinc/45/25/61/1169452561.db2.gz KIQPUCWIYJHJKY-UHFFFAOYSA-N 0 0 197.241 2.328 10 30 AEEERN COc1c(F)ccc(F)c1CCC#N 261043380 1169452709 /nfs/dbraw/zinc/45/27/09/1169452709.db2.gz ICFHSGCZGWXRIH-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN Cc1c(-c2ccccc2C#N)cnn1C 260607393 1169452717 /nfs/dbraw/zinc/45/27/17/1169452717.db2.gz BPUKTMQTNJSPMY-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN Cc1c(-c2cccc(C#N)c2)cnn1C 260768382 1169453163 /nfs/dbraw/zinc/45/31/63/1169453163.db2.gz RLBZSYQEABBXLD-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN N#Cc1ncncc1-c1ccc(F)cc1 260701051 1169452822 /nfs/dbraw/zinc/45/28/22/1169452822.db2.gz KYEMOSQBZOKPQW-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cc1ccc(-c2cncc(C#N)n2)cc1 260827879 1169452838 /nfs/dbraw/zinc/45/28/38/1169452838.db2.gz UJAMFPDYQHXJKW-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CC1CN(CC2CCCCC2)C1 260977536 1169452877 /nfs/dbraw/zinc/45/28/77/1169452877.db2.gz MLDNPDXZTOOMAD-UHFFFAOYSA-N 0 0 178.279 2.022 10 30 AEEERN CCn1nccc1-c1cccc(C#N)c1 260788584 1169452926 /nfs/dbraw/zinc/45/29/26/1169452926.db2.gz UFLSUHPTKDNKTG-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN Cc1cccc(-c2cncnc2C#N)c1 260600372 1169452967 /nfs/dbraw/zinc/45/29/67/1169452967.db2.gz AZBOLUOROPKHJC-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1cc(-c2ccc(N)cc2)ccn1 260739369 1169452975 /nfs/dbraw/zinc/45/29/75/1169452975.db2.gz FOZIJRYFWSNDPU-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN Cc1ccccc1-c1cncnc1C#N 260598429 1169453069 /nfs/dbraw/zinc/45/30/69/1169453069.db2.gz AWPROBANUNKNNJ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1ccc(CCCC#N)cc1N 261028925 1169453218 /nfs/dbraw/zinc/45/32/18/1169453218.db2.gz JDDXMPNJJSZBEK-UHFFFAOYSA-N 0 0 174.247 2.424 10 30 AEEERN Cn1cncc1-c1ccc(CC#N)cc1 261152796 1169453732 /nfs/dbraw/zinc/45/37/32/1169453732.db2.gz SPAWIWXFQREIDF-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN Cn1cncc1-c1ccccc1CC#N 261110054 1169453858 /nfs/dbraw/zinc/45/38/58/1169453858.db2.gz FQVHUGDPEMUQBU-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN CC(C)CO[C@@H]1CC[C@H](C#N)C1 261110226 1169453904 /nfs/dbraw/zinc/45/39/04/1169453904.db2.gz DCPWCLQDJFOMAF-VHSXEESVSA-N 0 0 167.252 2.351 10 30 AEEERN N#Cc1cccc(-c2cnoc2)c1 261107232 1169454144 /nfs/dbraw/zinc/45/41/44/1169454144.db2.gz GCEQRZQSCMBKAB-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN CC(C)CO[C@@H]1CC[C@@H](C#N)C1 261110224 1169454167 /nfs/dbraw/zinc/45/41/67/1169454167.db2.gz DCPWCLQDJFOMAF-NXEZZACHSA-N 0 0 167.252 2.351 10 30 AEEERN Cn1cncc1-c1cccc(CC#N)c1 261172899 1169454264 /nfs/dbraw/zinc/45/42/64/1169454264.db2.gz ZHAOSCKSYANZCL-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN Cc1n[nH]c2ccc(CCC#N)cc12 261195683 1169454272 /nfs/dbraw/zinc/45/42/72/1169454272.db2.gz RUZGIZXZFMEJBN-UHFFFAOYSA-N 0 0 185.230 2.328 10 30 AEEERN Cc1ncc(-c2cccc(C#N)c2)cn1 261137559 1169454301 /nfs/dbraw/zinc/45/43/01/1169454301.db2.gz OAUGZHZJOLNXOK-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1ccccc1-c1cnc(C#N)nc1 261123281 1169454378 /nfs/dbraw/zinc/45/43/78/1169454378.db2.gz JFUSIDMTBLGFIZ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CC1(COC2CCCC2)CC1 261140300 1169454445 /nfs/dbraw/zinc/45/44/45/1169454445.db2.gz OITGKOKCCGDOTN-UHFFFAOYSA-N 0 0 165.236 2.249 10 30 AEEERN CC(C)O[C@@H]1CC[C@H](C#N)C1 261125947 1169454653 /nfs/dbraw/zinc/45/46/53/1169454653.db2.gz IRSYPJGCRRQCCK-DTWKUNHWSA-N 0 0 153.225 2.104 10 30 AEEERN N#Cc1ncc(-c2ccccc2F)cn1 261128306 1169454678 /nfs/dbraw/zinc/45/46/78/1169454678.db2.gz KQXDNOJQLPJWFI-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN N#CCCc1cnccc1C1CC1 261156819 1169454744 /nfs/dbraw/zinc/45/47/44/1169454744.db2.gz VBDSLYRXAGIUKL-UHFFFAOYSA-N 0 0 172.231 2.415 10 30 AEEERN N#Cc1ccccc1-c1cnoc1 261128846 1169454773 /nfs/dbraw/zinc/45/47/73/1169454773.db2.gz LJGMQHUMJUYPCM-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN CC(C)Cc1cccnc1C#N 261182263 1169454896 /nfs/dbraw/zinc/45/48/96/1169454896.db2.gz JZXLOXMUUHDCON-UHFFFAOYSA-N 0 0 160.220 2.152 10 30 AEEERN N#Cc1ccc(-c2cnoc2)cc1 261161373 1169454973 /nfs/dbraw/zinc/45/49/73/1169454973.db2.gz XCOPZDOCRSNLSM-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#CCCC1=CCCC1 261171166 1169455081 /nfs/dbraw/zinc/45/50/81/1169455081.db2.gz ADQZRFNEMNNSEH-UHFFFAOYSA-N 0 0 121.183 2.400 10 30 AEEERN CCOC1CCC(C#N)CC1 261146589 1169455151 /nfs/dbraw/zinc/45/51/51/1169455151.db2.gz QAANPMOWVVIMQQ-UHFFFAOYSA-N 0 0 153.225 2.105 10 30 AEEERN N#CCCc1ccc(C2CC2)nc1 261111144 1169455236 /nfs/dbraw/zinc/45/52/36/1169455236.db2.gz DIYPVBWZKHDLMS-UHFFFAOYSA-N 0 0 172.231 2.415 10 30 AEEERN CC(C)(C)n1cc(CCCC#N)cn1 261130944 1169455241 /nfs/dbraw/zinc/45/52/41/1169455241.db2.gz LLORIOOIFGOPBL-UHFFFAOYSA-N 0 0 191.278 2.484 10 30 AEEERN CC(C)OC1CCC(C#N)CC1 261127190 1169455415 /nfs/dbraw/zinc/45/54/15/1169455415.db2.gz JDXSVOUEWSZNFW-UHFFFAOYSA-N 0 0 167.252 2.494 10 30 AEEERN N#CCCCc1ccc(F)c(N)c1 261065372 1169455437 /nfs/dbraw/zinc/45/54/37/1169455437.db2.gz UJCMXFXZOHLNMQ-UHFFFAOYSA-N 0 0 178.210 2.254 10 30 AEEERN Cc1ncc(-c2ccccc2C#N)cn1 261168869 1169455467 /nfs/dbraw/zinc/45/54/67/1169455467.db2.gz ZHCGBQHLCAPVLR-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC(C)O[C@@H]1CC[C@@H](C#N)C1 261125950 1169455623 /nfs/dbraw/zinc/45/56/23/1169455623.db2.gz IRSYPJGCRRQCCK-RKDXNWHRSA-N 0 0 153.225 2.104 10 30 AEEERN N#Cc1ccccc1-c1ccncn1 261169191 1169455706 /nfs/dbraw/zinc/45/57/06/1169455706.db2.gz ZLSCASNFTHJBIX-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN Cc1cc(C)c(CCC#N)cn1 261142419 1169455886 /nfs/dbraw/zinc/45/58/86/1169455886.db2.gz OQVOUELLARCODG-UHFFFAOYSA-N 0 0 160.220 2.155 10 30 AEEERN C[C@H](O)c1cccc(CCC#N)c1 261294115 1169456533 /nfs/dbraw/zinc/45/65/33/1169456533.db2.gz MYRWNOVDNJFRTJ-VIFPVBQESA-N 0 0 175.231 2.196 10 30 AEEERN Cc1nn(C)c2ccc(CCC#N)cc12 261274846 1169456623 /nfs/dbraw/zinc/45/66/23/1169456623.db2.gz MNWCUFMJULVWCW-UHFFFAOYSA-N 0 0 199.257 2.338 10 30 AEEERN N#CCCCc1cnn2ccccc12 261208156 1169456647 /nfs/dbraw/zinc/45/66/47/1169456647.db2.gz GHHDPFPWPGVEDF-UHFFFAOYSA-N 0 0 185.230 2.181 10 30 AEEERN Cc1ccc(CCCC#N)cn1 261216304 1169456661 /nfs/dbraw/zinc/45/66/61/1169456661.db2.gz KPORXCFAYQIVPU-UHFFFAOYSA-N 0 0 160.220 2.236 10 30 AEEERN Cc1ccc(CCCC#N)nc1 261211042 1169456666 /nfs/dbraw/zinc/45/66/66/1169456666.db2.gz HWDOFCJFJBZWMS-UHFFFAOYSA-N 0 0 160.220 2.236 10 30 AEEERN N#CCCCc1cnn(C2CCC2)c1 261202409 1169456682 /nfs/dbraw/zinc/45/66/82/1169456682.db2.gz CJVFFRVEDMTKAS-UHFFFAOYSA-N 0 0 189.262 2.454 10 30 AEEERN Cn1ncc2ccc(CCC#N)cc21 261298363 1169456718 /nfs/dbraw/zinc/45/67/18/1169456718.db2.gz YCGNGHZIGOGUSV-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN C[C@@H](O)c1cccc(CCC#N)c1 261294114 1169456746 /nfs/dbraw/zinc/45/67/46/1169456746.db2.gz MYRWNOVDNJFRTJ-SECBINFHSA-N 0 0 175.231 2.196 10 30 AEEERN Cc1cncnc1-c1ccc(C#N)cc1 261292797 1169456775 /nfs/dbraw/zinc/45/67/75/1169456775.db2.gz VOZAMUAGFUELLO-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CCCCc1cc(F)ccc1N 261262318 1169456870 /nfs/dbraw/zinc/45/68/70/1169456870.db2.gz FTFIFWXVZBSIPL-UHFFFAOYSA-N 0 0 178.210 2.254 10 30 AEEERN Cn1cc(CCC#N)c2ccncc21 261263291 1169456925 /nfs/dbraw/zinc/45/69/25/1169456925.db2.gz LTXWVXFBYVAMJB-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN Cc1cncnc1-c1ccccc1C#N 261278573 1169457167 /nfs/dbraw/zinc/45/71/67/1169457167.db2.gz NOJUTKDUAIRVGY-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC(C)(C)n1cc(CCC#N)cn1 261254912 1169457039 /nfs/dbraw/zinc/45/70/39/1169457039.db2.gz BMFRFVWKDIZABN-UHFFFAOYSA-N 0 0 177.251 2.094 10 30 AEEERN CC(C)n1nccc1CCCC#N 261211230 1169457108 /nfs/dbraw/zinc/45/71/08/1169457108.db2.gz HZCMNMOBKFPNPD-UHFFFAOYSA-N 0 0 177.251 2.310 10 30 AEEERN Cc1nn(C)c2cc(CCC#N)ccc12 261254128 1169457175 /nfs/dbraw/zinc/45/71/75/1169457175.db2.gz FUMIAUQGHABHKY-UHFFFAOYSA-N 0 0 199.257 2.338 10 30 AEEERN C[C@H](O)c1ccc(CCC#N)cc1 261313427 1169457238 /nfs/dbraw/zinc/45/72/38/1169457238.db2.gz ZIRXSJYVBBPRTC-VIFPVBQESA-N 0 0 175.231 2.196 10 30 AEEERN N#CCCc1cccc(Cl)c1N 261265793 1169457260 /nfs/dbraw/zinc/45/72/60/1169457260.db2.gz HLYSDGBDQNMDEP-UHFFFAOYSA-N 0 0 180.638 2.378 10 30 AEEERN N#Cc1ccccc1C1=CCOCC1 261305616 1169457266 /nfs/dbraw/zinc/45/72/66/1169457266.db2.gz TXNNHOITPLYHOH-UHFFFAOYSA-N 0 0 185.226 2.362 10 30 AEEERN C[C@@H](O)c1ccc(CCC#N)cc1 261313426 1169457404 /nfs/dbraw/zinc/45/74/04/1169457404.db2.gz ZIRXSJYVBBPRTC-SECBINFHSA-N 0 0 175.231 2.196 10 30 AEEERN N#CCCc1ccccc1-n1cccn1 261243928 1169457640 /nfs/dbraw/zinc/45/76/40/1169457640.db2.gz BOPXNNBEEBXUMZ-UHFFFAOYSA-N 0 0 197.241 2.328 10 30 AEEERN N#CCCc1ccc2c(c1)NCC2 261265563 1169457500 /nfs/dbraw/zinc/45/75/00/1169457500.db2.gz HIPMLKCGUMHNDD-UHFFFAOYSA-N 0 0 172.231 2.111 10 30 AEEERN Cn1cnc2ccc(CCCC#N)cc21 261205509 1169457588 /nfs/dbraw/zinc/45/75/88/1169457588.db2.gz DWQTWRTWZNDPQN-UHFFFAOYSA-N 0 0 199.257 2.420 10 30 AEEERN Cc1ccncc1CCCC#N 261208228 1169457609 /nfs/dbraw/zinc/45/76/09/1169457609.db2.gz GKCNCAXVZAZAJE-UHFFFAOYSA-N 0 0 160.220 2.236 10 30 AEEERN N#CCCc1cnn(C2CCC2)c1 261302111 1169457716 /nfs/dbraw/zinc/45/77/16/1169457716.db2.gz RFJQPXWJQXPDSX-UHFFFAOYSA-N 0 0 175.235 2.064 10 30 AEEERN Cn1ncc2cccc(CCC#N)c21 261279110 1169457770 /nfs/dbraw/zinc/45/77/70/1169457770.db2.gz NUBLWTCESBRPSK-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN CC(C)n1cc(CCCC#N)cn1 261203375 1169457854 /nfs/dbraw/zinc/45/78/54/1169457854.db2.gz CZDWEXBKMQEDKQ-UHFFFAOYSA-N 0 0 177.251 2.310 10 30 AEEERN Cn1ncc2cc(CCCC#N)ccc21 261225257 1169457863 /nfs/dbraw/zinc/45/78/63/1169457863.db2.gz PPPBMLXZPQVONO-UHFFFAOYSA-N 0 0 199.257 2.420 10 30 AEEERN Cn1ncc2cc(CCC#N)ccc21 261244419 1169457866 /nfs/dbraw/zinc/45/78/66/1169457866.db2.gz BSCRNFRVMPELRB-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN CCC[C@@H](C)N1CCC[C@H]1C#N 300348755 1169459433 /nfs/dbraw/zinc/45/94/33/1169459433.db2.gz OWGTUWPWGHXQNY-ZJUUUORDSA-N 0 0 166.268 2.163 10 30 AEEERN CCC[C@H](C)N1CCC[C@H]1C#N 300348754 1169460163 /nfs/dbraw/zinc/46/01/63/1169460163.db2.gz OWGTUWPWGHXQNY-UWVGGRQHSA-N 0 0 166.268 2.163 10 30 AEEERN COc1ccc(CCC#N)c(C#N)c1 306671244 1169486476 /nfs/dbraw/zinc/48/64/76/1169486476.db2.gz GBTKFMIHYWPKEE-UHFFFAOYSA-N 0 0 186.214 2.023 10 30 AEEERN Cc1cc(C#N)ccc1CCC#N 306669177 1169486618 /nfs/dbraw/zinc/48/66/18/1169486618.db2.gz AVIQDHZVWXOTOM-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN N#CCCc1ccc(CO)c(Cl)c1 306902566 1169490424 /nfs/dbraw/zinc/49/04/24/1169490424.db2.gz QPFYHOYFKAHULN-UHFFFAOYSA-N 0 0 195.649 2.288 10 30 AEEERN Cc1ccc(CCC#N)cc1C#N 306898569 1169490998 /nfs/dbraw/zinc/49/09/98/1169490998.db2.gz XOQUAERLURVYAL-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN N#CCCc1cc(F)cc(C#N)c1 306905203 1169492727 /nfs/dbraw/zinc/49/27/27/1169492727.db2.gz WJYRBOZKPSQZCO-UHFFFAOYSA-N 0 0 174.178 2.154 10 30 AEEERN CCc1cc(CCC#N)ccc1N 306912186 1169492976 /nfs/dbraw/zinc/49/29/76/1169492976.db2.gz LZEIQKJNVPECPN-UHFFFAOYSA-N 0 0 174.247 2.287 10 30 AEEERN COc1cc(C)cc(CCC#N)c1 306906049 1169493335 /nfs/dbraw/zinc/49/33/35/1169493335.db2.gz LUNKJROJPACPIE-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN COc1ccc(C#N)cc1CCC#N 306950937 1169495202 /nfs/dbraw/zinc/49/52/02/1169495202.db2.gz DEIBWLOEACHXEQ-UHFFFAOYSA-N 0 0 186.214 2.023 10 30 AEEERN Cc1cc(CCC#N)ccc1C#N 307032697 1169497848 /nfs/dbraw/zinc/49/78/48/1169497848.db2.gz RRYPGCVAPXFFLC-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN N#CCSC[C@H]1CC1(Cl)Cl 307087128 1169503168 /nfs/dbraw/zinc/50/31/68/1169503168.db2.gz ZQWWKYNCJXPZDM-RXMQYKEDSA-N 0 0 196.102 2.437 10 30 AEEERN N#CCSC[C@@H]1CC1(Cl)Cl 307087129 1169503485 /nfs/dbraw/zinc/50/34/85/1169503485.db2.gz ZQWWKYNCJXPZDM-YFKPBYRVSA-N 0 0 196.102 2.437 10 30 AEEERN Cc1ccc(CCC#N)cc1O 307096698 1169503615 /nfs/dbraw/zinc/50/36/15/1169503615.db2.gz ICOYCFFHECHPBD-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN Cc1c(O)cccc1CCC#N 307169051 1169505247 /nfs/dbraw/zinc/50/52/47/1169505247.db2.gz WWDXZFNQQCVAFH-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN CCCNc1cc(C)c(C#N)c(C)n1 307206739 1169509251 /nfs/dbraw/zinc/50/92/51/1169509251.db2.gz ISPUJQRFPINFFY-UHFFFAOYSA-N 0 0 189.262 2.392 10 30 AEEERN N#CCCc1cc(C#N)ccc1F 307372195 1169517891 /nfs/dbraw/zinc/51/78/91/1169517891.db2.gz QSYLGDIQTUGWKL-UHFFFAOYSA-N 0 0 174.178 2.154 10 30 AEEERN COc1cc(C#N)ccc1CCC#N 307431407 1169519262 /nfs/dbraw/zinc/51/92/62/1169519262.db2.gz WZNZNPDZLDTFPC-UHFFFAOYSA-N 0 0 186.214 2.023 10 30 AEEERN COc1ccc(C)c(CCC#N)c1 307409690 1169519519 /nfs/dbraw/zinc/51/95/19/1169519519.db2.gz INDUCCYHQXCTDJ-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN Cc1ccc(CCC#N)c(N)c1 307499208 1169524268 /nfs/dbraw/zinc/52/42/68/1169524268.db2.gz LAZUGBCGYSRTCB-UHFFFAOYSA-N 0 0 160.220 2.033 10 30 AEEERN CC[C@H](C)OCC1(C#N)CC1 307728107 1169538187 /nfs/dbraw/zinc/53/81/87/1169538187.db2.gz GMABSYIUUAMKBB-QMMMGPOBSA-N 0 0 153.225 2.105 10 30 AEEERN CC[C@@H](C)OCC1(C#N)CC1 307728105 1169539236 /nfs/dbraw/zinc/53/92/36/1169539236.db2.gz GMABSYIUUAMKBB-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1CC(=NOC(C)(C)C)CCO1 308251485 1169547517 /nfs/dbraw/zinc/54/75/17/1169547517.db2.gz HONNZXFOBVNEMH-MRVPVSSYSA-N 0 0 185.267 2.356 10 30 AEEERN C[C@H]1CC(=NOC(C)(C)C)CCO1 308251486 1169547523 /nfs/dbraw/zinc/54/75/23/1169547523.db2.gz HONNZXFOBVNEMH-QMMMGPOBSA-N 0 0 185.267 2.356 10 30 AEEERN C=CCCO[C@H](C)c1nnc(C)o1 308220760 1169547784 /nfs/dbraw/zinc/54/77/84/1169547784.db2.gz CADCHRLDBGYKDM-SSDOTTSWSA-N 0 0 182.223 2.032 10 30 AEEERN CC#CCOC(=O)[C@@H](C)CC(C)C 308270619 1169548280 /nfs/dbraw/zinc/54/82/80/1169548280.db2.gz RUMFRMBIPZHVLC-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN CC#CCOC(=O)[C@H](C)CC(C)C 308270621 1169548416 /nfs/dbraw/zinc/54/84/16/1169548416.db2.gz RUMFRMBIPZHVLC-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(C)CCC1 308325029 1169548915 /nfs/dbraw/zinc/54/89/15/1169548915.db2.gz DSSPDNXEXFBHDR-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN CC(=NNCC(C)C)C(C)C 379148765 1169565486 /nfs/dbraw/zinc/56/54/86/1169565486.db2.gz BDUPACCZJKGHGK-UHFFFAOYSA-N 0 0 156.273 2.264 10 30 AEEERN CCC(CC)N[C@@](C)(C#N)CC 379298681 1169565804 /nfs/dbraw/zinc/56/58/04/1169565804.db2.gz KASQSIRFYKVXEO-SNVBAGLBSA-N 0 0 168.284 2.457 10 30 AEEERN CCC(CC)N[C@](C)(C#N)CC 379298680 1169566231 /nfs/dbraw/zinc/56/62/31/1169566231.db2.gz KASQSIRFYKVXEO-JTQLQIEISA-N 0 0 168.284 2.457 10 30 AEEERN C=C(CC)CSc1nnc(C)o1 379313365 1169567991 /nfs/dbraw/zinc/56/79/91/1169567991.db2.gz HBYRWPMKCTYKEC-UHFFFAOYSA-N 0 0 184.264 2.436 10 30 AEEERN CCC(CC)OCC1(C#N)CC1 379316316 1169569084 /nfs/dbraw/zinc/56/90/84/1169569084.db2.gz YBJZIYOQRNQHLR-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C=C(C)CCSc1n[nH]c(C)n1 379322148 1169569245 /nfs/dbraw/zinc/56/92/45/1169569245.db2.gz HFNPWLODRQATPL-UHFFFAOYSA-N 0 0 183.280 2.171 10 30 AEEERN CC(C)(C)ON=Cc1ccc[nH]1 379321480 1169569256 /nfs/dbraw/zinc/56/92/56/1169569256.db2.gz CLJJRSZJDPGJMJ-UHFFFAOYSA-N 0 0 166.224 2.164 10 30 AEEERN CC(C)(C)ON=Cc1ccoc1 379323335 1169570757 /nfs/dbraw/zinc/57/07/57/1169570757.db2.gz PHYJSSIYYMVOGC-UHFFFAOYSA-N 0 0 167.208 2.429 10 30 AEEERN CO[C@H](C)C(C)=NOC(C)(C)C 379330299 1169571291 /nfs/dbraw/zinc/57/12/91/1169571291.db2.gz ABDGZEGIBVDRPQ-MRVPVSSYSA-N 0 0 173.256 2.212 10 30 AEEERN CO[C@@H](C)C(C)=NOC(C)(C)C 379330300 1169571364 /nfs/dbraw/zinc/57/13/64/1169571364.db2.gz ABDGZEGIBVDRPQ-QMMMGPOBSA-N 0 0 173.256 2.212 10 30 AEEERN COCCCC=NOCCC1CC1 379367570 1169575689 /nfs/dbraw/zinc/57/56/89/1169575689.db2.gz VNFBWCPVRIDUMJ-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN COCC(=NOC(C)(C)C)C1CC1 379359994 1169575974 /nfs/dbraw/zinc/57/59/74/1169575974.db2.gz BHTACNNHHPTVNM-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN CC#CCCSCCn1cccn1 379382061 1169578779 /nfs/dbraw/zinc/57/87/79/1169578779.db2.gz DOKGZENDTMDKDK-UHFFFAOYSA-N 0 0 194.303 2.030 10 30 AEEERN C=CCSCc1cn(C(C)C)nn1 379388789 1169580571 /nfs/dbraw/zinc/58/05/71/1169580571.db2.gz KDGXQDWENJNNQJ-UHFFFAOYSA-N 0 0 197.307 2.278 10 30 AEEERN C[C@H](CC#N)NCc1ccc(Cl)o1 379412779 1169581447 /nfs/dbraw/zinc/58/14/47/1169581447.db2.gz KXGOZNYECFRQJC-SSDOTTSWSA-N 0 0 198.653 2.325 10 30 AEEERN C[C@@H](CC#N)NCc1ccc(Cl)o1 379412780 1169581757 /nfs/dbraw/zinc/58/17/57/1169581757.db2.gz KXGOZNYECFRQJC-ZETCQYMHSA-N 0 0 198.653 2.325 10 30 AEEERN C[C@@H](CC(F)(F)F)N(C)CCC#N 382040819 1169599900 /nfs/dbraw/zinc/59/99/00/1169599900.db2.gz VDVRKJHBCYBRGO-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C[C@H](CC(F)(F)F)N(C)CCC#N 382040817 1169600174 /nfs/dbraw/zinc/60/01/74/1169600174.db2.gz VDVRKJHBCYBRGO-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN C=C1CCN(c2cccnc2C#N)CC1 382526917 1169601481 /nfs/dbraw/zinc/60/14/81/1169601481.db2.gz BPCOKYSFWMRTEM-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C#C[C@@](C)(CC)Nc1ncccc1C#N 384175889 1169603907 /nfs/dbraw/zinc/60/39/07/1169603907.db2.gz OENXVPVRGQVTFC-LBPRGKRZSA-N 0 0 199.257 2.167 10 30 AEEERN C#C[C@](C)(CC)Nc1cccc(C#N)n1 384130173 1169604493 /nfs/dbraw/zinc/60/44/93/1169604493.db2.gz AJDVJCNPNFFGPE-GFCCVEGCSA-N 0 0 199.257 2.167 10 30 AEEERN C#C[C@](C)(CC)Nc1ncccc1C#N 384175888 1169604525 /nfs/dbraw/zinc/60/45/25/1169604525.db2.gz OENXVPVRGQVTFC-GFCCVEGCSA-N 0 0 199.257 2.167 10 30 AEEERN C#C[C@@](C)(CC)NC(=O)OCC(C)C 384196437 1169604678 /nfs/dbraw/zinc/60/46/78/1169604678.db2.gz JNNNJHZLWWPPPV-NSHDSACASA-N 0 0 197.278 2.171 10 30 AEEERN C=C(C)c1ccc(C(=O)OCC)cn1 382694065 1169606154 /nfs/dbraw/zinc/60/61/54/1169606154.db2.gz RNGRHYPUGQQFBK-UHFFFAOYSA-N 0 0 191.230 2.291 10 30 AEEERN C#C[C@](C)(CC)NC(=O)OCC(C)C 384196435 1169606446 /nfs/dbraw/zinc/60/64/46/1169606446.db2.gz JNNNJHZLWWPPPV-LLVKDONJSA-N 0 0 197.278 2.171 10 30 AEEERN C#C[C@@](C)(CC)Nc1cccc(C#N)n1 384130187 1169606547 /nfs/dbraw/zinc/60/65/47/1169606547.db2.gz AJDVJCNPNFFGPE-LBPRGKRZSA-N 0 0 199.257 2.167 10 30 AEEERN C=CC(C)(C)CNC(=O)CCC 384905536 1169608027 /nfs/dbraw/zinc/60/80/27/1169608027.db2.gz AFAWOXIMAONWPL-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCN(C)Cc1c(N)cccc1F 384764703 1169608295 /nfs/dbraw/zinc/60/82/95/1169608295.db2.gz MVFWHVRPBBVZSE-UHFFFAOYSA-N 0 0 194.253 2.026 10 30 AEEERN N#CCCCCCOC1CCOCC1 385798823 1169610451 /nfs/dbraw/zinc/61/04/51/1169610451.db2.gz GHQRTBZJWAQDSD-UHFFFAOYSA-N 0 0 197.278 2.266 10 30 AEEERN COC[C@H](C)OCCCCCC#N 385823679 1169610686 /nfs/dbraw/zinc/61/06/86/1169610686.db2.gz KIMASXRZDUZNQT-JTQLQIEISA-N 0 0 185.267 2.122 10 30 AEEERN CCCCC=NNCC(C)C 388115800 1169620221 /nfs/dbraw/zinc/62/02/21/1169620221.db2.gz GQWNJUGJEBOOLM-UHFFFAOYSA-N 0 0 156.273 2.408 10 30 AEEERN C=CCCCSc1nnc(C)o1 388489131 1169628002 /nfs/dbraw/zinc/62/80/02/1169628002.db2.gz FPPLCUYNOGUDPC-UHFFFAOYSA-N 0 0 184.264 2.436 10 30 AEEERN C=CCN(C(=O)CC1CC1)C(C)C 388585663 1169628732 /nfs/dbraw/zinc/62/87/32/1169628732.db2.gz HXGNYDTWLZRYDW-UHFFFAOYSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCSc1nncn1CC=C 388593922 1169629493 /nfs/dbraw/zinc/62/94/93/1169629493.db2.gz BWOVWVWVQYZINV-UHFFFAOYSA-N 0 0 195.291 2.132 10 30 AEEERN C=CCCCNc1cnc(C)c(C)n1 388768686 1169633761 /nfs/dbraw/zinc/63/37/61/1169633761.db2.gz CSINXLWAWWZCES-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=CCCCCCCN1CCC(=O)C1 389219070 1169636100 /nfs/dbraw/zinc/63/61/00/1169636100.db2.gz MGTIRFAIZJDVHK-UHFFFAOYSA-N 0 0 195.306 2.398 10 30 AEEERN CC(C)[C@H](C#N)C=NOCC1CC1 393713350 1169644225 /nfs/dbraw/zinc/64/42/25/1169644225.db2.gz CHTTUGYCJUFKGJ-SNVBAGLBSA-N 0 0 180.251 2.195 10 30 AEEERN CC(C)[C@@H](C#N)C=NOCC1CC1 393713308 1169644595 /nfs/dbraw/zinc/64/45/95/1169644595.db2.gz CHTTUGYCJUFKGJ-JTQLQIEISA-N 0 0 180.251 2.195 10 30 AEEERN C#C[C@](C)(CC)Nc1cc(C#N)ccn1 395239882 1169653022 /nfs/dbraw/zinc/65/30/22/1169653022.db2.gz VGDWFXLLTLBVNS-GFCCVEGCSA-N 0 0 199.257 2.167 10 30 AEEERN C#C[C@@](C)(CC)Nc1cc(C#N)ccn1 395239884 1169653194 /nfs/dbraw/zinc/65/31/94/1169653194.db2.gz VGDWFXLLTLBVNS-LBPRGKRZSA-N 0 0 199.257 2.167 10 30 AEEERN CC(C)OCCCCCC#N 395421000 1169654085 /nfs/dbraw/zinc/65/40/85/1169654085.db2.gz BYGVIYQINFPKMT-UHFFFAOYSA-N 0 0 155.241 2.495 10 30 AEEERN CCCCCCCN1CCC(=O)C1 396526894 1169655538 /nfs/dbraw/zinc/65/55/38/1169655538.db2.gz FPFGFVCNVPXZKI-UHFFFAOYSA-N 0 0 183.295 2.232 10 30 AEEERN C=CCCCCCN1CCC(=O)C1 396569117 1169656154 /nfs/dbraw/zinc/65/61/54/1169656154.db2.gz XDODBFXROCYWLL-UHFFFAOYSA-N 0 0 181.279 2.008 10 30 AEEERN CCc1cc(CCC#N)ccc1CO 396099755 1169656446 /nfs/dbraw/zinc/65/64/46/1169656446.db2.gz OPVAQRCAYDJBQS-UHFFFAOYSA-N 0 0 189.258 2.197 10 30 AEEERN C#CCCOc1ccc(C=O)c(F)c1 404113255 1169683500 /nfs/dbraw/zinc/68/35/00/1169683500.db2.gz JOSUPEMEYQEWSZ-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C[C@@H](Oc1cccc(C#N)n1)C1CC1 585655182 1169689158 /nfs/dbraw/zinc/68/91/58/1169689158.db2.gz WDPZRBCGSTYSRW-MRVPVSSYSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@H](Oc1cccc(C#N)n1)C1CC1 585655183 1169689703 /nfs/dbraw/zinc/68/97/03/1169689703.db2.gz WDPZRBCGSTYSRW-QMMMGPOBSA-N 0 0 188.230 2.131 10 30 AEEERN C#CCOC1CCC(F)(F)CC1 606252940 1169690506 /nfs/dbraw/zinc/69/05/06/1169690506.db2.gz FBDWWTAQYFTCJR-UHFFFAOYSA-N 0 0 174.190 2.214 10 30 AEEERN N#CCOC1CCC(F)(F)CC1 606252136 1169690876 /nfs/dbraw/zinc/69/08/76/1169690876.db2.gz HJBFCYDZDIUHFY-UHFFFAOYSA-N 0 0 175.178 2.104 10 30 AEEERN C[C@H]1CCN1Cc1ccccc1C#N 606260516 1169691604 /nfs/dbraw/zinc/69/16/04/1169691604.db2.gz KFQXOMAYYKHMGH-JTQLQIEISA-N 0 0 186.258 2.152 10 30 AEEERN Cc1cc(C#N)cnc1NCC(C)C 606262373 1169691632 /nfs/dbraw/zinc/69/16/32/1169691632.db2.gz HGBVNCGVSVPMGG-UHFFFAOYSA-N 0 0 189.262 2.330 10 30 AEEERN CC1CN(Cc2ccccc2C#N)C1 606260021 1169691691 /nfs/dbraw/zinc/69/16/91/1169691691.db2.gz QEVOMCPLEFQYGV-UHFFFAOYSA-N 0 0 186.258 2.010 10 30 AEEERN C=C1CN(c2cccc(F)c2C#N)C1 606260313 1169691771 /nfs/dbraw/zinc/69/17/71/1169691771.db2.gz YDNYOYZAFQVMPF-UHFFFAOYSA-N 0 0 188.205 2.074 10 30 AEEERN C#CCNc1cc(C(C)(C)C)ccn1 606261455 1169691881 /nfs/dbraw/zinc/69/18/81/1169691881.db2.gz XSYHSQBYIAYDSX-UHFFFAOYSA-N 0 0 188.274 2.424 10 30 AEEERN C[C@@H]1CCN1Cc1ccccc1C#N 606260517 1169691983 /nfs/dbraw/zinc/69/19/83/1169691983.db2.gz KFQXOMAYYKHMGH-SNVBAGLBSA-N 0 0 186.258 2.152 10 30 AEEERN CC[C@H](C)Nc1ncc(C#N)cc1C 606262380 1169692055 /nfs/dbraw/zinc/69/20/55/1169692055.db2.gz HLNDZZMYOPNYOT-VIFPVBQESA-N 0 0 189.262 2.472 10 30 AEEERN CC[C@@H](C)Nc1ncc(C#N)cc1C 606262377 1169692243 /nfs/dbraw/zinc/69/22/43/1169692243.db2.gz HLNDZZMYOPNYOT-SECBINFHSA-N 0 0 189.262 2.472 10 30 AEEERN C#CC(=O)Nc1ccc(C(F)F)cc1 606268169 1169693268 /nfs/dbraw/zinc/69/32/68/1169693268.db2.gz UVKZLWXEXOHAGM-UHFFFAOYSA-N 0 0 195.168 2.196 10 30 AEEERN C=C(C)CNc1nccnc1CC 700154988 1169700008 /nfs/dbraw/zinc/70/00/08/1169700008.db2.gz GJVTUNXEEZJBMG-UHFFFAOYSA-N 0 0 177.251 2.027 10 30 AEEERN C=CCCCNc1nccnc1CC 700171246 1169700645 /nfs/dbraw/zinc/70/06/45/1169700645.db2.gz WQXIRDSWZXOSCN-UHFFFAOYSA-N 0 0 191.278 2.417 10 30 AEEERN C[C@H]1CC(=O)C=C(C[C@H]2CCCO2)C1 701875932 1169703876 /nfs/dbraw/zinc/70/38/76/1169703876.db2.gz KCULCKLVMHYAJL-BXKDBHETSA-N 0 0 194.274 2.481 10 30 AEEERN C=CC(C)(C)CCNc1nc(C)no1 701906021 1169704064 /nfs/dbraw/zinc/70/40/64/1169704064.db2.gz OFLVTJYNISXKND-UHFFFAOYSA-N 0 0 195.266 2.392 10 30 AEEERN C[C@H]1CC(=O)C=C(C[C@@H]2CCCO2)C1 701875938 1169704181 /nfs/dbraw/zinc/70/41/81/1169704181.db2.gz KCULCKLVMHYAJL-SKDRFNHKSA-N 0 0 194.274 2.481 10 30 AEEERN C=CCc1ccnc(OC)c1Cl 701621134 1169704868 /nfs/dbraw/zinc/70/48/68/1169704868.db2.gz FTZJDXWRKVKCLA-UHFFFAOYSA-N 0 0 183.638 2.472 10 30 AEEERN C[C@@H]1CC(=O)C=C(C[C@@H]2CCCO2)C1 701875934 1169704980 /nfs/dbraw/zinc/70/49/80/1169704980.db2.gz KCULCKLVMHYAJL-CABZTGNLSA-N 0 0 194.274 2.481 10 30 AEEERN C[C@@H]1CC(=O)C=C(C[C@H]2CCCO2)C1 701875936 1169705128 /nfs/dbraw/zinc/70/51/28/1169705128.db2.gz KCULCKLVMHYAJL-JOYOIKCWSA-N 0 0 194.274 2.481 10 30 AEEERN C=CC[C@@H](C=C)O[C@@H](C)C(=O)OCC 706023842 1169711300 /nfs/dbraw/zinc/71/13/00/1169711300.db2.gz IUIFWRBBMLRZBY-VHSXEESVSA-N 0 0 198.262 2.085 10 30 AEEERN C=CCc1cc(C(F)(F)F)nn1C 705333944 1169709668 /nfs/dbraw/zinc/70/96/68/1169709668.db2.gz UBJNMKRAUPFFMP-UHFFFAOYSA-N 0 0 190.168 2.167 10 30 AEEERN C=CC[C@@H](C=C)OCC1(C#N)CC1 705995226 1169710605 /nfs/dbraw/zinc/71/06/05/1169710605.db2.gz DCNYPNXZLXSWFE-SNVBAGLBSA-N 0 0 177.247 2.437 10 30 AEEERN C=C[C@H](C)OCc1ccnc(C#N)c1 705984072 1169710643 /nfs/dbraw/zinc/71/06/43/1169710643.db2.gz XXRGADDUBHKVNP-VIFPVBQESA-N 0 0 188.230 2.044 10 30 AEEERN C=C[C@@H](C)Oc1ncccc1C(C)=O 706038587 1169710770 /nfs/dbraw/zinc/71/07/70/1169710770.db2.gz IYAGCFQFZCRJSI-MRVPVSSYSA-N 0 0 191.230 2.238 10 30 AEEERN C=C[C@@H](C)Oc1nc(C)ccc1C#N 706110199 1169710830 /nfs/dbraw/zinc/71/08/30/1169710830.db2.gz NAMABPWVNNGAAI-SECBINFHSA-N 0 0 188.230 2.215 10 30 AEEERN C=CC[C@@H](C=C)Oc1cccc(N)n1 706038038 1169710846 /nfs/dbraw/zinc/71/08/46/1169710846.db2.gz CDZSKOXOKJSASF-SECBINFHSA-N 0 0 190.246 2.173 10 30 AEEERN C=C[C@H](C)Oc1cccc(F)n1 706048967 1169710866 /nfs/dbraw/zinc/71/08/66/1169710866.db2.gz NAXSTNQNYSHTJZ-ZETCQYMHSA-N 0 0 167.183 2.174 10 30 AEEERN C=CC[C@@H](C=C)O[C@@H](C)C(C)=O 706060616 1169710905 /nfs/dbraw/zinc/71/09/05/1169710905.db2.gz IZYIRIDHKUGMPQ-VHSXEESVSA-N 0 0 168.236 2.111 10 30 AEEERN C=CC[C@H](C=C)Oc1cccc(N)n1 706038040 1169710955 /nfs/dbraw/zinc/71/09/55/1169710955.db2.gz CDZSKOXOKJSASF-VIFPVBQESA-N 0 0 190.246 2.173 10 30 AEEERN C=C[C@@H](C)Oc1ncnc(Cl)c1C 706048323 1169710984 /nfs/dbraw/zinc/71/09/84/1169710984.db2.gz CEMIDYVPXRCVCK-ZCFIWIBFSA-N 0 0 198.653 2.392 10 30 AEEERN C=CC[C@H](C=C)OCC1(C#N)CC1 705995222 1169710993 /nfs/dbraw/zinc/71/09/93/1169710993.db2.gz DCNYPNXZLXSWFE-JTQLQIEISA-N 0 0 177.247 2.437 10 30 AEEERN C=C[C@H](C)OCc1cccnc1C#N 705978380 1169711068 /nfs/dbraw/zinc/71/10/68/1169711068.db2.gz CVKQVNBBRVYKFR-VIFPVBQESA-N 0 0 188.230 2.044 10 30 AEEERN C=C[C@H](C)Oc1ccc(C(C)=O)cn1 706039143 1169711082 /nfs/dbraw/zinc/71/10/82/1169711082.db2.gz NGDMQFLPXVREBW-QMMMGPOBSA-N 0 0 191.230 2.238 10 30 AEEERN C=CC[C@@H](C=C)OCCC#N 705998000 1169711140 /nfs/dbraw/zinc/71/11/40/1169711140.db2.gz SJEJBUDQUPJLGM-SECBINFHSA-N 0 0 151.209 2.047 10 30 AEEERN C=C[C@H](C)Oc1ccc(C(C)=O)nc1 706039949 1169711148 /nfs/dbraw/zinc/71/11/48/1169711148.db2.gz SKLHPECNUIZVTL-QMMMGPOBSA-N 0 0 191.230 2.238 10 30 AEEERN C=C[C@H](C)Oc1ccc(Cl)nn1 706048330 1169711196 /nfs/dbraw/zinc/71/11/96/1169711196.db2.gz CFEYNRZUFLBVAG-LURJTMIESA-N 0 0 184.626 2.083 10 30 AEEERN C=C[C@H](C)Oc1nc(C)ccc1C#N 706110201 1169711272 /nfs/dbraw/zinc/71/12/72/1169711272.db2.gz NAMABPWVNNGAAI-VIFPVBQESA-N 0 0 188.230 2.215 10 30 AEEERN C=CC[C@@H](C=C)Oc1ncccc1N 706040404 1169711313 /nfs/dbraw/zinc/71/13/13/1169711313.db2.gz WZXOHJOYOPRSCU-SECBINFHSA-N 0 0 190.246 2.173 10 30 AEEERN C=C[C@H](C)OCCCCC#N 705984045 1169711368 /nfs/dbraw/zinc/71/13/68/1169711368.db2.gz XKNDEDRKYGTBCF-VIFPVBQESA-N 0 0 153.225 2.271 10 30 AEEERN C=C[C@H](C)Oc1nccc(C)c1C#N 706109385 1169711384 /nfs/dbraw/zinc/71/13/84/1169711384.db2.gz JEQSFFRBVOZDTD-VIFPVBQESA-N 0 0 188.230 2.215 10 30 AEEERN C=C[C@@H](C)Oc1cc(Cl)ncn1 706048998 1169711424 /nfs/dbraw/zinc/71/14/24/1169711424.db2.gz NFAHRNZKGKCZKE-ZCFIWIBFSA-N 0 0 184.626 2.083 10 30 AEEERN C=C[C@@H](C)Oc1ccc(C(C)=O)nc1 706039945 1169711434 /nfs/dbraw/zinc/71/14/34/1169711434.db2.gz SKLHPECNUIZVTL-MRVPVSSYSA-N 0 0 191.230 2.238 10 30 AEEERN C=CC[C@H](C=C)OCCC(=O)OCC 706025550 1169711523 /nfs/dbraw/zinc/71/15/23/1169711523.db2.gz UIASXQQTYCEYCM-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=C[C@@H](C)OCc1cccnc1C#N 705978378 1169712194 /nfs/dbraw/zinc/71/21/94/1169712194.db2.gz CVKQVNBBRVYKFR-SECBINFHSA-N 0 0 188.230 2.044 10 30 AEEERN C=CC[C@@H](C=C)OCCCC#N 705997204 1169711648 /nfs/dbraw/zinc/71/16/48/1169711648.db2.gz PJEHITNFLNYJMY-SNVBAGLBSA-N 0 0 165.236 2.437 10 30 AEEERN C=CC[C@@H](C=C)OCC(=O)CC 706060985 1169711762 /nfs/dbraw/zinc/71/17/62/1169711762.db2.gz LRMSSEADJALDBG-SNVBAGLBSA-N 0 0 168.236 2.113 10 30 AEEERN C=C[C@@H](C)Oc1ccc(C(C)=O)cn1 706039135 1169712580 /nfs/dbraw/zinc/71/25/80/1169712580.db2.gz NGDMQFLPXVREBW-MRVPVSSYSA-N 0 0 191.230 2.238 10 30 AEEERN C=C[C@H](C)OCC(=O)C(C)(C)C 706040390 1169711797 /nfs/dbraw/zinc/71/17/97/1169711797.db2.gz WXTGJZSTFAZHJB-QMMMGPOBSA-N 0 0 170.252 2.193 10 30 AEEERN C=CC[C@@H](C=C)O[C@H](C)C(C)=O 706060611 1169711805 /nfs/dbraw/zinc/71/18/05/1169711805.db2.gz IZYIRIDHKUGMPQ-NXEZZACHSA-N 0 0 168.236 2.111 10 30 AEEERN C=C[C@H](C)Oc1cc(Cl)ncn1 706048996 1169711834 /nfs/dbraw/zinc/71/18/34/1169711834.db2.gz NFAHRNZKGKCZKE-LURJTMIESA-N 0 0 184.626 2.083 10 30 AEEERN C=C[C@@H](C)Oc1ccnc(F)c1 706038756 1169711895 /nfs/dbraw/zinc/71/18/95/1169711895.db2.gz LEKZPYRRESNUIR-SSDOTTSWSA-N 0 0 167.183 2.174 10 30 AEEERN C=CC[C@H](C=C)O[C@H](C)C(C)=O 706060617 1169711915 /nfs/dbraw/zinc/71/19/15/1169711915.db2.gz IZYIRIDHKUGMPQ-ZJUUUORDSA-N 0 0 168.236 2.111 10 30 AEEERN C=C[C@@H](C)OCc1ccnc(C#N)c1 705984068 1169711972 /nfs/dbraw/zinc/71/19/72/1169711972.db2.gz XXRGADDUBHKVNP-SECBINFHSA-N 0 0 188.230 2.044 10 30 AEEERN C=CC[C@H](C=C)OCCCC(=O)OC 706024932 1169711979 /nfs/dbraw/zinc/71/19/79/1169711979.db2.gz PEBIUXUKZQXGEA-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=C[C@@H](C)Oc1cccc(F)n1 706048965 1169712072 /nfs/dbraw/zinc/71/20/72/1169712072.db2.gz NAXSTNQNYSHTJZ-SSDOTTSWSA-N 0 0 167.183 2.174 10 30 AEEERN C=CC[C@H](C=C)OCCC#N 705998002 1169712077 /nfs/dbraw/zinc/71/20/77/1169712077.db2.gz SJEJBUDQUPJLGM-VIFPVBQESA-N 0 0 151.209 2.047 10 30 AEEERN C=C[C@H](C)Oc1ncnc(Cl)c1C 706048321 1169712082 /nfs/dbraw/zinc/71/20/82/1169712082.db2.gz CEMIDYVPXRCVCK-LURJTMIESA-N 0 0 198.653 2.392 10 30 AEEERN C=CC[C@H](C=C)OCCCC#N 705997190 1169712114 /nfs/dbraw/zinc/71/21/14/1169712114.db2.gz PJEHITNFLNYJMY-JTQLQIEISA-N 0 0 165.236 2.437 10 30 AEEERN C=CC[C@@H](C=C)O[C@H](C)C(=O)OCC 706023840 1169712127 /nfs/dbraw/zinc/71/21/27/1169712127.db2.gz IUIFWRBBMLRZBY-NXEZZACHSA-N 0 0 198.262 2.085 10 30 AEEERN C=C[C@H](C)Oc1ccnc(Cl)n1 706048536 1169712170 /nfs/dbraw/zinc/71/21/70/1169712170.db2.gz DZLNHKMAFZEEEY-LURJTMIESA-N 0 0 184.626 2.083 10 30 AEEERN C=C[C@H](C)Oc1ccnc(F)c1 706038757 1169712226 /nfs/dbraw/zinc/71/22/26/1169712226.db2.gz LEKZPYRRESNUIR-ZETCQYMHSA-N 0 0 167.183 2.174 10 30 AEEERN C=C[C@@H](C)Oc1ccnc(Cl)n1 706048537 1169712269 /nfs/dbraw/zinc/71/22/69/1169712269.db2.gz DZLNHKMAFZEEEY-ZCFIWIBFSA-N 0 0 184.626 2.083 10 30 AEEERN C=C[C@@H](C)OCC(=O)C(C)(C)C 706040385 1169712303 /nfs/dbraw/zinc/71/23/03/1169712303.db2.gz WXTGJZSTFAZHJB-MRVPVSSYSA-N 0 0 170.252 2.193 10 30 AEEERN C=CC[C@H](C=C)Oc1ncccc1N 706040409 1169712441 /nfs/dbraw/zinc/71/24/41/1169712441.db2.gz WZXOHJOYOPRSCU-VIFPVBQESA-N 0 0 190.246 2.173 10 30 AEEERN C=C[C@@H](C)Oc1ccc(Cl)nn1 706048332 1169712483 /nfs/dbraw/zinc/71/24/83/1169712483.db2.gz CFEYNRZUFLBVAG-ZCFIWIBFSA-N 0 0 184.626 2.083 10 30 AEEERN C=CC[C@H](C=C)O[C@@H](C)C(C)=O 706060613 1169712503 /nfs/dbraw/zinc/71/25/03/1169712503.db2.gz IZYIRIDHKUGMPQ-UWVGGRQHSA-N 0 0 168.236 2.111 10 30 AEEERN C=CC[C@@H](C=C)OCCC(=O)OCC 706025551 1169712525 /nfs/dbraw/zinc/71/25/25/1169712525.db2.gz UIASXQQTYCEYCM-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=C[C@@H](C)OCCCCC#N 705984043 1169712537 /nfs/dbraw/zinc/71/25/37/1169712537.db2.gz XKNDEDRKYGTBCF-SECBINFHSA-N 0 0 153.225 2.271 10 30 AEEERN C=CC[C@@H](C=C)OCCCC(=O)OC 706024933 1169712540 /nfs/dbraw/zinc/71/25/40/1169712540.db2.gz PEBIUXUKZQXGEA-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C=C)O[C@@H](C)C(=O)OCC 706023841 1169712558 /nfs/dbraw/zinc/71/25/58/1169712558.db2.gz IUIFWRBBMLRZBY-UWVGGRQHSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OCC(=O)CC 706060983 1169712624 /nfs/dbraw/zinc/71/26/24/1169712624.db2.gz LRMSSEADJALDBG-JTQLQIEISA-N 0 0 168.236 2.113 10 30 AEEERN C=CCNC(=O)NC1CCC(C)CC1 705715457 1169712641 /nfs/dbraw/zinc/71/26/41/1169712641.db2.gz VWSJDGJNMOLUAH-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC[C@H](C=C)O[C@H](C)C(=O)OCC 706023843 1169712781 /nfs/dbraw/zinc/71/27/81/1169712781.db2.gz IUIFWRBBMLRZBY-ZJUUUORDSA-N 0 0 198.262 2.085 10 30 AEEERN C=C[C@H](C)Oc1ncccc1C(C)=O 706038590 1169712841 /nfs/dbraw/zinc/71/28/41/1169712841.db2.gz IYAGCFQFZCRJSI-QMMMGPOBSA-N 0 0 191.230 2.238 10 30 AEEERN C=C[C@@H](C)Oc1nccc(C)c1C#N 706109382 1169712856 /nfs/dbraw/zinc/71/28/56/1169712856.db2.gz JEQSFFRBVOZDTD-SECBINFHSA-N 0 0 188.230 2.215 10 30 AEEERN C=CC[C@@H](C=C)OCC(=O)OC(C)C 706720770 1169713435 /nfs/dbraw/zinc/71/34/35/1169713435.db2.gz XJRZTUFALXHQBZ-SNVBAGLBSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OCC(=O)OC(C)C 706720753 1169716347 /nfs/dbraw/zinc/71/63/47/1169716347.db2.gz XJRZTUFALXHQBZ-JTQLQIEISA-N 0 0 198.262 2.085 10 30 AEEERN CN(CC#N)[C@@H]1CCCC(C)(C)C1 708575409 1169722688 /nfs/dbraw/zinc/72/26/88/1169722688.db2.gz IMUUEQPBKYOURZ-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CN(CC#N)[C@H]1CCCC(C)(C)C1 708575408 1169722237 /nfs/dbraw/zinc/72/22/37/1169722237.db2.gz IMUUEQPBKYOURZ-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C#CC[C@@H](C)Oc1cccc(C#N)c1 709265364 1169723801 /nfs/dbraw/zinc/72/38/01/1169723801.db2.gz MLQJBTIIRXMILQ-SNVBAGLBSA-N 0 0 185.226 2.349 10 30 AEEERN C#CC[C@H](C)Oc1ccccc1C#N 709268645 1169723846 /nfs/dbraw/zinc/72/38/46/1169723846.db2.gz ZQXOUVMQXWYRKZ-JTQLQIEISA-N 0 0 185.226 2.349 10 30 AEEERN C#CC[C@H](C)Oc1cccc(F)n1 709332467 1169723970 /nfs/dbraw/zinc/72/39/70/1169723970.db2.gz DVFOPBZNMIOVDH-QMMMGPOBSA-N 0 0 179.194 2.011 10 30 AEEERN C#CC[C@H](C)Oc1cccc(C#N)c1 709265361 1169725036 /nfs/dbraw/zinc/72/50/36/1169725036.db2.gz MLQJBTIIRXMILQ-JTQLQIEISA-N 0 0 185.226 2.349 10 30 AEEERN C#CC[C@@H](C)Oc1ccccc1C#N 709268647 1169725069 /nfs/dbraw/zinc/72/50/69/1169725069.db2.gz ZQXOUVMQXWYRKZ-SNVBAGLBSA-N 0 0 185.226 2.349 10 30 AEEERN C#CC[C@@H](C)Oc1cccc(F)n1 709332464 1169725357 /nfs/dbraw/zinc/72/53/57/1169725357.db2.gz DVFOPBZNMIOVDH-MRVPVSSYSA-N 0 0 179.194 2.011 10 30 AEEERN C#CC[C@@H](C)Oc1ccc(C#N)cc1 709281786 1169725364 /nfs/dbraw/zinc/72/53/64/1169725364.db2.gz IFQWORFVQSUOBQ-SNVBAGLBSA-N 0 0 185.226 2.349 10 30 AEEERN C#CC[C@H](C)Oc1ccnc(F)c1 709323213 1169725824 /nfs/dbraw/zinc/72/58/24/1169725824.db2.gz GBUCOJNSJFTMKL-QMMMGPOBSA-N 0 0 179.194 2.011 10 30 AEEERN C#CC[C@@H](C)Oc1ccnc(F)c1 709323211 1169725949 /nfs/dbraw/zinc/72/59/49/1169725949.db2.gz GBUCOJNSJFTMKL-MRVPVSSYSA-N 0 0 179.194 2.011 10 30 AEEERN C#CC[C@H](C)Oc1ccc(C#N)cc1 709281761 1169726032 /nfs/dbraw/zinc/72/60/32/1169726032.db2.gz IFQWORFVQSUOBQ-JTQLQIEISA-N 0 0 185.226 2.349 10 30 AEEERN CCCCNc1ncc(C#N)cc1C 709779487 1169726996 /nfs/dbraw/zinc/72/69/96/1169726996.db2.gz MWQTWLSQYGZLOK-UHFFFAOYSA-N 0 0 189.262 2.474 10 30 AEEERN CCC[C@@H](C)OCC1(C#N)CC1 709456826 1169727511 /nfs/dbraw/zinc/72/75/11/1169727511.db2.gz WELQPHJOKFPVLO-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN CCC[C@H](C)OCC1(C#N)CC1 709456829 1169728159 /nfs/dbraw/zinc/72/81/59/1169728159.db2.gz WELQPHJOKFPVLO-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN C=C(C)Cc1cnc(OC)s1 711272934 1169729681 /nfs/dbraw/zinc/72/96/81/1169729681.db2.gz CYNPFJFTKKYFQC-UHFFFAOYSA-N 0 0 169.249 2.270 10 30 AEEERN C=C(C)Cc1ccnn1CCC 711292381 1169730053 /nfs/dbraw/zinc/73/00/53/1169730053.db2.gz BNHSVHBPMGXNFT-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN C=C(C)Cc1cncc(OC)c1 711285794 1169730078 /nfs/dbraw/zinc/73/00/78/1169730078.db2.gz GTJVOEKTLQSDQS-UHFFFAOYSA-N 0 0 163.220 2.209 10 30 AEEERN C=C(C)Cc1cnccc1OC 711289912 1169730445 /nfs/dbraw/zinc/73/04/45/1169730445.db2.gz UEDYOOISROHCKM-UHFFFAOYSA-N 0 0 163.220 2.209 10 30 AEEERN C=C(C)Cc1cnn(CCC)c1 711296796 1169730817 /nfs/dbraw/zinc/73/08/17/1169730817.db2.gz NNIOBWRIYUGYNQ-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN C=C(C)Cc1cccnc1OC 711289290 1169730935 /nfs/dbraw/zinc/73/09/35/1169730935.db2.gz RIKRZDCTRPVTOU-UHFFFAOYSA-N 0 0 163.220 2.209 10 30 AEEERN N#Cc1cc(F)c(OC2CC2)c(F)c1 713201067 1169732468 /nfs/dbraw/zinc/73/24/68/1169732468.db2.gz UBZACCYEZQTZJJ-UHFFFAOYSA-N 0 0 195.168 2.378 10 30 AEEERN CC(C)(C)CN1CCCC[C@H]1C#N 713328441 1169732517 /nfs/dbraw/zinc/73/25/17/1169732517.db2.gz DQAQSGNWPLKGFI-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN N#CCCCCCOC1CC1 713218694 1169732820 /nfs/dbraw/zinc/73/28/20/1169732820.db2.gz RFGNBYRUBQKOSY-UHFFFAOYSA-N 0 0 153.225 2.249 10 30 AEEERN CC(C)(C)CN1CCCC[C@@H]1C#N 713328442 1169733964 /nfs/dbraw/zinc/73/39/64/1169733964.db2.gz DQAQSGNWPLKGFI-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN N#Cc1cccc(COC2CC2)c1 713213042 1169734158 /nfs/dbraw/zinc/73/41/58/1169734158.db2.gz YGFKIQZVSJNEDB-UHFFFAOYSA-N 0 0 173.215 2.237 10 30 AEEERN N#Cc1ccccc1COC1CC1 713213074 1169734499 /nfs/dbraw/zinc/73/44/99/1169734499.db2.gz YOLLMSPXGBNATO-UHFFFAOYSA-N 0 0 173.215 2.237 10 30 AEEERN C=CCc1cnn(C(C)(C)C)c1 714324208 1169734624 /nfs/dbraw/zinc/73/46/24/1169734624.db2.gz RTPCAKVTIHARSA-UHFFFAOYSA-N 0 0 164.252 2.367 10 30 AEEERN N#Cc1ccc(COC2CC2)cc1 713213119 1169735204 /nfs/dbraw/zinc/73/52/04/1169735204.db2.gz ZBIKYGJDFJKQSH-UHFFFAOYSA-N 0 0 173.215 2.237 10 30 AEEERN CC(C)(C)CN1CCC[C@H]1C#N 713328895 1169735310 /nfs/dbraw/zinc/73/53/10/1169735310.db2.gz JJFCCGOIWZSTDL-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C=C(C)c1nc(C)cc(C)n1 715439730 1169739517 /nfs/dbraw/zinc/73/95/17/1169739517.db2.gz TYECSBMFHWEFOZ-UHFFFAOYSA-N 0 0 148.209 2.127 10 30 AEEERN C=CC[C@@H](C)Oc1cccnc1 715721845 1169740662 /nfs/dbraw/zinc/74/06/62/1169740662.db2.gz BKKSTKUTBVATHS-SECBINFHSA-N 0 0 163.220 2.425 10 30 AEEERN C[C@@H](OCCCC#N)C1CC1 719026487 1169753032 /nfs/dbraw/zinc/75/30/32/1169753032.db2.gz YJVBWRHZVHPLAC-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H](NC2(C#N)CC2)C1 719360102 1169753547 /nfs/dbraw/zinc/75/35/47/1169753547.db2.gz HHTAUJUFVCGMGS-URLYPYJESA-N 0 0 192.306 2.457 10 30 AEEERN C[C@@H](Oc1ccc(C#N)nc1)C1CC1 718998827 1169753711 /nfs/dbraw/zinc/75/37/11/1169753711.db2.gz DBKHBQZMMWLMAZ-MRVPVSSYSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@@H](OCCCC#N)C1CCC1 719686953 1169754021 /nfs/dbraw/zinc/75/40/21/1169754021.db2.gz QHZUDSMEWJRGEU-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC(NC2(C#N)CC2)C[C@H](C)C1 719360101 1169754124 /nfs/dbraw/zinc/75/41/24/1169754124.db2.gz HHTAUJUFVCGMGS-NXEZZACHSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H](OCCCC#N)C1CCC1 719686954 1169754132 /nfs/dbraw/zinc/75/41/32/1169754132.db2.gz QHZUDSMEWJRGEU-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN C[C@@H](OCCCCC#N)C1CC1 719022599 1169754182 /nfs/dbraw/zinc/75/41/82/1169754182.db2.gz LDYHBDZTQKOULH-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H](OCCC#N)C1CCC1 719685166 1169754337 /nfs/dbraw/zinc/75/43/37/1169754337.db2.gz ASJTVDJBJAKTMA-QMMMGPOBSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1CC(NC2(C#N)CC2)C[C@@H](C)C1 719360103 1169754416 /nfs/dbraw/zinc/75/44/16/1169754416.db2.gz HHTAUJUFVCGMGS-UWVGGRQHSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H](OCC1(C#N)CC1)C1CC1 719026602 1169754453 /nfs/dbraw/zinc/75/44/53/1169754453.db2.gz WUWAJFDEQVWPEI-QMMMGPOBSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@H](OCCCC#N)C1CC1 719026488 1169754539 /nfs/dbraw/zinc/75/45/39/1169754539.db2.gz YJVBWRHZVHPLAC-QMMMGPOBSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H](Oc1cccnc1C#N)C1CC1 719001063 1169754743 /nfs/dbraw/zinc/75/47/43/1169754743.db2.gz MKYWAQKTZFPZQV-MRVPVSSYSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@H](Oc1cccnc1C#N)C1CC1 719001065 1169754978 /nfs/dbraw/zinc/75/49/78/1169754978.db2.gz MKYWAQKTZFPZQV-QMMMGPOBSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@@H](OCC1(C#N)CC1)C1CC1 719026601 1169755367 /nfs/dbraw/zinc/75/53/67/1169755367.db2.gz WUWAJFDEQVWPEI-MRVPVSSYSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H](OCCC#N)C1CCC1 719685164 1169755482 /nfs/dbraw/zinc/75/54/82/1169755482.db2.gz ASJTVDJBJAKTMA-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H](OCC1(C#N)CC1)C1CCC1 719692562 1169755682 /nfs/dbraw/zinc/75/56/82/1169755682.db2.gz LVKLVUHFDOSQDK-VIFPVBQESA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H](OCC1(C#N)CC1)C1CCC1 719692560 1169755824 /nfs/dbraw/zinc/75/58/24/1169755824.db2.gz LVKLVUHFDOSQDK-SECBINFHSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@H](Oc1ccc(C#N)nc1)C1CC1 718998830 1169755968 /nfs/dbraw/zinc/75/59/68/1169755968.db2.gz DBKHBQZMMWLMAZ-QMMMGPOBSA-N 0 0 188.230 2.131 10 30 AEEERN C[C@H](OCCCCC#N)C1CC1 719022600 1169756037 /nfs/dbraw/zinc/75/60/37/1169756037.db2.gz LDYHBDZTQKOULH-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC[C@H](OCCC#N)C1 721550014 1169760047 /nfs/dbraw/zinc/76/00/47/1169760047.db2.gz KKWMRYMFWSUUMD-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1CC[C@@H](OCC2(C#N)CC2)C1 721552632 1169760177 /nfs/dbraw/zinc/76/01/77/1169760177.db2.gz ATIXBPNWRXVDBG-NXEZZACHSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CC[C@H](OCCCC#N)C1 721547216 1169760365 /nfs/dbraw/zinc/76/03/65/1169760365.db2.gz BQGRCSSPLDWFKK-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC[C@H](OCC2(C#N)CC2)C1 721552633 1169760330 /nfs/dbraw/zinc/76/03/30/1169760330.db2.gz ATIXBPNWRXVDBG-UWVGGRQHSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CC[C@@H](OCCC#N)C1 721550015 1169760608 /nfs/dbraw/zinc/76/06/08/1169760608.db2.gz KKWMRYMFWSUUMD-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1CC[C@H](OCC2(C#N)CC2)C1 721552637 1169760640 /nfs/dbraw/zinc/76/06/40/1169760640.db2.gz ATIXBPNWRXVDBG-ZJUUUORDSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@H]1CC[C@@H](OCC2(C#N)CC2)C1 721552635 1169760906 /nfs/dbraw/zinc/76/09/06/1169760906.db2.gz ATIXBPNWRXVDBG-VHSXEESVSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@H]1CC[C@@H](OCCCC#N)C1 721547215 1169761679 /nfs/dbraw/zinc/76/16/79/1169761679.db2.gz BQGRCSSPLDWFKK-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H](C)OCc1cncc(C#N)c1 721580367 1169761777 /nfs/dbraw/zinc/76/17/77/1169761777.db2.gz IIEVABOVZVLEBU-VIFPVBQESA-N 0 0 190.246 2.268 10 30 AEEERN CC[C@@H](C)OCc1cncc(C#N)c1 721580366 1169762142 /nfs/dbraw/zinc/76/21/42/1169762142.db2.gz IIEVABOVZVLEBU-SECBINFHSA-N 0 0 190.246 2.268 10 30 AEEERN N#Cc1cncc(COC2CCC2)c1 721571011 1169762450 /nfs/dbraw/zinc/76/24/50/1169762450.db2.gz APPQEIRCYQZDNK-UHFFFAOYSA-N 0 0 188.230 2.022 10 30 AEEERN C[C@@H]1CC[C@H](OCCC#N)C1 721550011 1169762468 /nfs/dbraw/zinc/76/24/68/1169762468.db2.gz KKWMRYMFWSUUMD-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1CC[C@@H](OCCCC#N)C1 721547211 1169762714 /nfs/dbraw/zinc/76/27/14/1169762714.db2.gz BQGRCSSPLDWFKK-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC[C@H](OCCCC#N)C1 721547213 1169762735 /nfs/dbraw/zinc/76/27/35/1169762735.db2.gz BQGRCSSPLDWFKK-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC[C@@H](OCCC#N)C1 721550013 1169762915 /nfs/dbraw/zinc/76/29/15/1169762915.db2.gz KKWMRYMFWSUUMD-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CCC(CC)OCCCC#N 721632068 1169763667 /nfs/dbraw/zinc/76/36/67/1169763667.db2.gz QMPGDSSANWFBHC-UHFFFAOYSA-N 0 0 155.241 2.495 10 30 AEEERN C=C[C@@H](C)OCc1cncc(C#N)c1 721623753 1169763701 /nfs/dbraw/zinc/76/37/01/1169763701.db2.gz NULOMXUQCAVCOI-SECBINFHSA-N 0 0 188.230 2.044 10 30 AEEERN C=C[C@H](C)OCc1cncc(C#N)c1 721623754 1169766177 /nfs/dbraw/zinc/76/61/77/1169766177.db2.gz NULOMXUQCAVCOI-VIFPVBQESA-N 0 0 188.230 2.044 10 30 AEEERN C[C@@H]1C[C@@H]1CN1CCCC[C@@H]1C#N 722875107 1169767496 /nfs/dbraw/zinc/76/74/96/1169767496.db2.gz RXBODEICLPKAPJ-GMTAPVOTSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@@H]1C[C@H]1CN1CCCC[C@@H]1C#N 722875109 1169767894 /nfs/dbraw/zinc/76/78/94/1169767894.db2.gz RXBODEICLPKAPJ-OUAUKWLOSA-N 0 0 178.279 2.020 10 30 AEEERN CCCN(CCC#N)Cc1ccoc1 723744770 1169768588 /nfs/dbraw/zinc/76/85/88/1169768588.db2.gz KUEIBTTTZMNMIJ-UHFFFAOYSA-N 0 0 192.262 2.405 10 30 AEEERN CN(CC#N)C1CCC2(CC1)CC2 723414730 1169769025 /nfs/dbraw/zinc/76/90/25/1169769025.db2.gz VIWCWHZDFMEALB-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN C#CCN(C(=O)CC1CC1)C(C)(C)C 723031172 1169769642 /nfs/dbraw/zinc/76/96/42/1169769642.db2.gz ZTPIEZDJUXOSFS-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C[C@@H]1C[C@@H]1CN1CCCC[C@H]1C#N 722875108 1169770355 /nfs/dbraw/zinc/77/03/55/1169770355.db2.gz RXBODEICLPKAPJ-MXWKQRLJSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@@H]1C[C@H]1CN1CCCC[C@H]1C#N 722875110 1169770521 /nfs/dbraw/zinc/77/05/21/1169770521.db2.gz RXBODEICLPKAPJ-VWYCJHECSA-N 0 0 178.279 2.020 10 30 AEEERN C#C[C@H](CC)Oc1cccc(O)c1 725329235 1169771825 /nfs/dbraw/zinc/77/18/25/1169771825.db2.gz BABPKFJSNXQGAG-SNVBAGLBSA-N 0 0 176.215 2.183 10 30 AEEERN C#C[C@@H](CC)Oc1ccccc1OC 725329871 1169771831 /nfs/dbraw/zinc/77/18/31/1169771831.db2.gz XLKARKKGVTYWSJ-JTQLQIEISA-N 0 0 190.242 2.486 10 30 AEEERN C#C[C@H](CC)Oc1ccccc1O 725329351 1169771839 /nfs/dbraw/zinc/77/18/39/1169771839.db2.gz GCOGNUFDEBXMJZ-SECBINFHSA-N 0 0 176.215 2.183 10 30 AEEERN C#C[C@@H](CC)Oc1cccc(O)c1 725329234 1169772435 /nfs/dbraw/zinc/77/24/35/1169772435.db2.gz BABPKFJSNXQGAG-JTQLQIEISA-N 0 0 176.215 2.183 10 30 AEEERN C#C[C@H](CC)Oc1cccc(OC)c1 725329578 1169772822 /nfs/dbraw/zinc/77/28/22/1169772822.db2.gz OBZRFAXLVIPQDQ-SNVBAGLBSA-N 0 0 190.242 2.486 10 30 AEEERN C#C[C@@H](CC)Oc1ccc(OC)cc1 725329327 1169772836 /nfs/dbraw/zinc/77/28/36/1169772836.db2.gz FEBBAFCDAGTZHQ-JTQLQIEISA-N 0 0 190.242 2.486 10 30 AEEERN C#C[C@H](CC)Oc1ccccc1OC 725329872 1169773080 /nfs/dbraw/zinc/77/30/80/1169773080.db2.gz XLKARKKGVTYWSJ-SNVBAGLBSA-N 0 0 190.242 2.486 10 30 AEEERN C#C[C@H](CC)Oc1ccc(OC)cc1 725329328 1169773124 /nfs/dbraw/zinc/77/31/24/1169773124.db2.gz FEBBAFCDAGTZHQ-SNVBAGLBSA-N 0 0 190.242 2.486 10 30 AEEERN C#C[C@@H](CC)Oc1cccc(C#N)c1 725329863 1169773254 /nfs/dbraw/zinc/77/32/54/1169773254.db2.gz XGCDMLGPMBQVNE-NSHDSACASA-N 0 0 185.226 2.349 10 30 AEEERN C#C[C@H](CC)Oc1cccc(C#N)c1 725329862 1169773425 /nfs/dbraw/zinc/77/34/25/1169773425.db2.gz XGCDMLGPMBQVNE-LLVKDONJSA-N 0 0 185.226 2.349 10 30 AEEERN C#C[C@@H](CC)Oc1ccc(O)cc1 725329413 1169773719 /nfs/dbraw/zinc/77/37/19/1169773719.db2.gz IJJHIZCXXHTAHE-JTQLQIEISA-N 0 0 176.215 2.183 10 30 AEEERN C#C[C@@H](CC)Oc1ccc(C#N)cc1 725329897 1169773781 /nfs/dbraw/zinc/77/37/81/1169773781.db2.gz YEASTBATRVXLBP-NSHDSACASA-N 0 0 185.226 2.349 10 30 AEEERN C#C[C@@H](CC)Oc1cccc(OC)c1 725329576 1169773900 /nfs/dbraw/zinc/77/39/00/1169773900.db2.gz OBZRFAXLVIPQDQ-JTQLQIEISA-N 0 0 190.242 2.486 10 30 AEEERN C#C[C@H](CC)Oc1ccc(O)cc1 725329414 1169774268 /nfs/dbraw/zinc/77/42/68/1169774268.db2.gz IJJHIZCXXHTAHE-SNVBAGLBSA-N 0 0 176.215 2.183 10 30 AEEERN C#C[C@H](CC)Oc1ccc(C#N)cc1 725329896 1169774689 /nfs/dbraw/zinc/77/46/89/1169774689.db2.gz YEASTBATRVXLBP-LLVKDONJSA-N 0 0 185.226 2.349 10 30 AEEERN C#C[C@@H](CC)Oc1ccccc1O 725329352 1169775303 /nfs/dbraw/zinc/77/53/03/1169775303.db2.gz GCOGNUFDEBXMJZ-VIFPVBQESA-N 0 0 176.215 2.183 10 30 AEEERN C#CCCNC(=O)C[C@@H](CC)C(C)C 733246822 1169775702 /nfs/dbraw/zinc/77/57/02/1169775702.db2.gz RSPCQTNLODQIMP-LLVKDONJSA-N 0 0 195.306 2.198 10 30 AEEERN C#CCCNC(=O)C[C@H](CC)C(C)C 733246824 1169775762 /nfs/dbraw/zinc/77/57/62/1169775762.db2.gz RSPCQTNLODQIMP-NSHDSACASA-N 0 0 195.306 2.198 10 30 AEEERN C#CCCNC(=O)C=C1CCCCC1 733247163 1169775801 /nfs/dbraw/zinc/77/58/01/1169775801.db2.gz AUFQRTOIGOJYMB-UHFFFAOYSA-N 0 0 191.274 2.016 10 30 AEEERN C#CC(=O)N1CCCC[C@@H]1[C@H](C)CC 754036133 1169776201 /nfs/dbraw/zinc/77/62/01/1169776201.db2.gz BPQWWTMXAMGKGT-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN C#CC(=O)N1CCCC[C@H]1[C@@H](C)CC 754036139 1169776217 /nfs/dbraw/zinc/77/62/17/1169776217.db2.gz BPQWWTMXAMGKGT-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN C#CC(=O)N1CCCC[C@@H]1[C@@H](C)CC 754036140 1169776237 /nfs/dbraw/zinc/77/62/37/1169776237.db2.gz BPQWWTMXAMGKGT-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN C#CC(=O)N1CCCC[C@H]1[C@H](C)CC 754036135 1169776265 /nfs/dbraw/zinc/77/62/65/1169776265.db2.gz BPQWWTMXAMGKGT-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN C=CCNN=C1C[C@H]2CCC[C@@H]2C1 905466095 1169782653 /nfs/dbraw/zinc/78/26/53/1169782653.db2.gz GJEGTTOXLSDHQD-NXEZZACHSA-N 0 0 178.279 2.328 10 30 AEEERN C=CCNN=C1C[C@@H]2CCC[C@H]2C1 905466096 1169782744 /nfs/dbraw/zinc/78/27/44/1169782744.db2.gz GJEGTTOXLSDHQD-UWVGGRQHSA-N 0 0 178.279 2.328 10 30 AEEERN C#CCON=C1C[C@@H]2CCC[C@@H]2C1 905472274 1169782765 /nfs/dbraw/zinc/78/27/65/1169782765.db2.gz UHDKNSJDOMFSJF-AOOOYVTPSA-N 0 0 177.247 2.202 10 30 AEEERN C#CCON=C1C[C@@H]2CCC[C@H]2C1 905472276 1169782831 /nfs/dbraw/zinc/78/28/31/1169782831.db2.gz UHDKNSJDOMFSJF-UWVGGRQHSA-N 0 0 177.247 2.202 10 30 AEEERN C#CCON=C1C[C@H]2CCC[C@@H]2C1 905472275 1169782864 /nfs/dbraw/zinc/78/28/64/1169782864.db2.gz UHDKNSJDOMFSJF-NXEZZACHSA-N 0 0 177.247 2.202 10 30 AEEERN c1cnn(N=C2C[C@@H]3CCC[C@@H]3C2)c1 905489385 1169782913 /nfs/dbraw/zinc/78/29/13/1169782913.db2.gz UHIFPWMTUAROEW-AOOOYVTPSA-N 0 0 189.262 2.297 10 30 AEEERN C=CCNN=C1C[C@@H]2CCC[C@@H]2C1 905466094 1169782952 /nfs/dbraw/zinc/78/29/52/1169782952.db2.gz GJEGTTOXLSDHQD-AOOOYVTPSA-N 0 0 178.279 2.328 10 30 AEEERN c1cnn(N=C2C[C@H]3CCC[C@@H]3C2)c1 905489387 1169782932 /nfs/dbraw/zinc/78/29/32/1169782932.db2.gz UHIFPWMTUAROEW-NXEZZACHSA-N 0 0 189.262 2.297 10 30 AEEERN C=C[C@@](C)(CC)c1nnc(COC)o1 1118432339 1169784652 /nfs/dbraw/zinc/78/46/52/1169784652.db2.gz DQMVTYGLMITXSF-JTQLQIEISA-N 0 0 196.250 2.070 10 30 AEEERN C=C[C@](C)(CC)c1nnc(COC)o1 1118432341 1169784666 /nfs/dbraw/zinc/78/46/66/1169784666.db2.gz DQMVTYGLMITXSF-SNVBAGLBSA-N 0 0 196.250 2.070 10 30 AEEERN CC(C)Cc1nnc(CCCC#N)o1 1118425868 1169784752 /nfs/dbraw/zinc/78/47/52/1169784752.db2.gz AZBDHOIOVGAOIL-UHFFFAOYSA-N 0 0 193.250 2.114 10 30 AEEERN C=C(C)CNc1ccc(COC)cn1 1155661674 1169794774 /nfs/dbraw/zinc/79/47/74/1169794774.db2.gz BSLZZMFZFZVHNO-UHFFFAOYSA-N 0 0 192.262 2.216 10 30 AEEERN CCc1nnc(C#Cc2ccccc2)o1 1255050306 1169901370 /nfs/dbraw/zinc/90/13/70/1169901370.db2.gz ACKFIPMVQDREKB-UHFFFAOYSA-N 0 0 198.225 2.032 10 30 AEEERN CC[C@@H](CC#N)N1CCC[C@@H]1CF 1255177861 1169911711 /nfs/dbraw/zinc/91/17/11/1169911711.db2.gz XRXJSRQMCHKIGI-VHSXEESVSA-N 0 0 184.258 2.113 10 30 AEEERN CC[C@H](CC#N)N1CCC[C@@H]1CF 1255177860 1169913655 /nfs/dbraw/zinc/91/36/55/1169913655.db2.gz XRXJSRQMCHKIGI-NXEZZACHSA-N 0 0 184.258 2.113 10 30 AEEERN CCC[C@@H](CC)N(C)CC#N 1257264296 1169983747 /nfs/dbraw/zinc/98/37/47/1169983747.db2.gz JSXNOUOUTIWXCV-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN CCC[C@H](CC)N(C)CC#N 1257264297 1169984194 /nfs/dbraw/zinc/98/41/94/1169984194.db2.gz JSXNOUOUTIWXCV-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN CCC[C@@H](CC)N(C)[C@@H](C)C#N 1257268310 1169988148 /nfs/dbraw/zinc/98/81/48/1169988148.db2.gz GCTXDUDHVCWWDH-VHSXEESVSA-N 0 0 168.284 2.409 10 30 AEEERN CCC[C@H](CC)N(C)[C@@H](C)C#N 1257268309 1169988777 /nfs/dbraw/zinc/98/87/77/1169988777.db2.gz GCTXDUDHVCWWDH-UWVGGRQHSA-N 0 0 168.284 2.409 10 30 AEEERN CCC[C@@H](CC)N(C)[C@H](C)C#N 1257268307 1169989123 /nfs/dbraw/zinc/98/91/23/1169989123.db2.gz GCTXDUDHVCWWDH-NXEZZACHSA-N 0 0 168.284 2.409 10 30 AEEERN CCC[C@H](CC)N(C)[C@H](C)C#N 1257268311 1169989177 /nfs/dbraw/zinc/98/91/77/1169989177.db2.gz GCTXDUDHVCWWDH-ZJUUUORDSA-N 0 0 168.284 2.409 10 30 AEEERN CCO/C=C/C(=O)c1csc(C)n1 135376428 566265562 /nfs/dbraw/zinc/26/55/62/566265562.db2.gz YWXUYZSXWKQGGP-SNAWJCMRSA-N 0 0 197.259 2.184 10 30 AEEERN C=CCN(CC=C)Cc1nccs1 143300058 566267288 /nfs/dbraw/zinc/26/72/88/566267288.db2.gz CMWCGWAXHFTCOC-UHFFFAOYSA-N 0 0 194.303 2.317 10 30 AEEERN C#C[C@H](C)c1cccs1 143369520 566267685 /nfs/dbraw/zinc/26/76/85/566267685.db2.gz CUUZMQSLTPIRMT-ZETCQYMHSA-N 0 0 136.219 2.485 10 30 AEEERN C#C[C@@H](C)c1cccs1 143369619 566267907 /nfs/dbraw/zinc/26/79/07/566267907.db2.gz CUUZMQSLTPIRMT-SSDOTTSWSA-N 0 0 136.219 2.485 10 30 AEEERN CC(C)(C)C#CC(=O)OC(C)(C)C 196445759 566274559 /nfs/dbraw/zinc/27/45/59/566274559.db2.gz ZIJPZRKTYWGAIC-UHFFFAOYSA-N 0 0 182.263 2.378 10 30 AEEERN CSCC#Cc1ccccc1 196283733 566275066 /nfs/dbraw/zinc/27/50/66/566275066.db2.gz ARPHVKDQOZRKFH-UHFFFAOYSA-N 0 0 162.257 2.401 10 30 AEEERN Nc1ccc(C#CC(F)(F)F)cc1 196364812 566275101 /nfs/dbraw/zinc/27/51/01/566275101.db2.gz VAZMWUXWSGSTFQ-UHFFFAOYSA-N 0 0 185.148 2.183 10 30 AEEERN C#C[C@@H]1CC[C@@H](C)C1 199969560 566277293 /nfs/dbraw/zinc/27/72/93/566277293.db2.gz YLPWDNCQUFIPKT-HTQZYQBOSA-N 0 0 108.184 2.056 10 30 AEEERN C#C[C@H]1CC[C@H](C)C1 199969520 566277347 /nfs/dbraw/zinc/27/73/47/566277347.db2.gz YLPWDNCQUFIPKT-YUMQZZPRSA-N 0 0 108.184 2.056 10 30 AEEERN C#C[C@@H]1CC[C@H](C)C1 199969594 566277379 /nfs/dbraw/zinc/27/73/79/566277379.db2.gz YLPWDNCQUFIPKT-JGVFFNPUSA-N 0 0 108.184 2.056 10 30 AEEERN C#C[C@H]1CC[C@@H](C)C1 199969488 566277464 /nfs/dbraw/zinc/27/74/64/566277464.db2.gz YLPWDNCQUFIPKT-SFYZADRCSA-N 0 0 108.184 2.056 10 30 AEEERN N#C[C@@H](C1CCOCC1)C(F)(F)F 261132404 566290964 /nfs/dbraw/zinc/29/09/64/566290964.db2.gz MKXFGMOCFADNKT-ZETCQYMHSA-N 0 0 193.168 2.115 10 30 AEEERN CCO[C@H]1CCC[C@@H](C#N)C1 261147487 566291129 /nfs/dbraw/zinc/29/11/29/566291129.db2.gz QLEVICHOLSRWEV-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@H]1CCC[C@H](C#N)C1 261147489 566291153 /nfs/dbraw/zinc/29/11/53/566291153.db2.gz QLEVICHOLSRWEV-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@@H]1CCC[C@H](C#N)C1 261147488 566291159 /nfs/dbraw/zinc/29/11/59/566291159.db2.gz QLEVICHOLSRWEV-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN N#C[C@H]1CCOC12CCCCC2 261255407 566291205 /nfs/dbraw/zinc/29/12/05/566291205.db2.gz BQXIUHBEQSRJCP-SECBINFHSA-N 0 0 165.236 2.249 10 30 AEEERN CCO[C@@H]1CCC[C@@H](C#N)C1 261147490 566291235 /nfs/dbraw/zinc/29/12/35/566291235.db2.gz QLEVICHOLSRWEV-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN N#CCc1cnc(C2CCCC2)o1 261210989 566291283 /nfs/dbraw/zinc/29/12/83/566291283.db2.gz PLQBRRCFZYBVFK-UHFFFAOYSA-N 0 0 176.219 2.398 10 30 AEEERN N#CCc1cnc(C2CCC2)o1 261181824 566291294 /nfs/dbraw/zinc/29/12/94/566291294.db2.gz FKBZQHZFYVEAAX-UHFFFAOYSA-N 0 0 162.192 2.008 10 30 AEEERN N#C[C@@H]1CCOC12CCCCC2 261255411 566291340 /nfs/dbraw/zinc/29/13/40/566291340.db2.gz BQXIUHBEQSRJCP-VIFPVBQESA-N 0 0 165.236 2.249 10 30 AEEERN N#C[C@H](C1CCOCC1)C(F)(F)F 261132403 566291356 /nfs/dbraw/zinc/29/13/56/566291356.db2.gz MKXFGMOCFADNKT-SSDOTTSWSA-N 0 0 193.168 2.115 10 30 AEEERN C(#CC1CC1)c1ccnc(C2CC2)n1 585143982 566308181 /nfs/dbraw/zinc/30/81/81/566308181.db2.gz WTCOJXAPGOUQMV-UHFFFAOYSA-N 0 0 184.242 2.116 10 30 AEEERN Cc1cc(C#CC(C)(C)C)nc(C)n1 585143984 566308191 /nfs/dbraw/zinc/30/81/91/566308191.db2.gz WVEQOHHFWQFBQH-UHFFFAOYSA-N 0 0 188.274 2.491 10 30 AEEERN O=Cc1cccc(C#CC2CC2)c1 585143978 566308217 /nfs/dbraw/zinc/30/82/17/566308217.db2.gz WRRCXRGDIACKNC-UHFFFAOYSA-N 0 0 170.211 2.261 10 30 AEEERN Oc1ccc(C#CC(F)(F)F)cc1 675079149 566310951 /nfs/dbraw/zinc/31/09/51/566310951.db2.gz PYLYLUUADZYGRZ-UHFFFAOYSA-N 0 0 186.132 2.306 10 30 AEEERN C#Cc1ccccc1NC(=O)C1CC1 675078761 566311438 /nfs/dbraw/zinc/31/14/38/566311438.db2.gz KSUIAENKONVVDF-UHFFFAOYSA-N 0 0 185.226 2.016 10 30 AEEERN Cc1cc(C#CC(F)(F)F)ccc1N 675078709 566311627 /nfs/dbraw/zinc/31/16/27/566311627.db2.gz JHJHNOLQOCAYMP-UHFFFAOYSA-N 0 0 199.175 2.491 10 30 AEEERN C#Cc1ccccc1NC(=O)C(C)C 675078644 566311673 /nfs/dbraw/zinc/31/16/73/566311673.db2.gz HWGMNDAWGUCORM-UHFFFAOYSA-N 0 0 187.242 2.262 10 30 AEEERN N#Cc1cccc(C#CC(F)(F)F)c1 675079267 566312030 /nfs/dbraw/zinc/31/20/30/566312030.db2.gz SKBFEXVVXJSYOS-UHFFFAOYSA-N 0 0 195.143 2.472 10 30 AEEERN O=C1C=COC12CCC(F)(F)CC2 675078913 566312163 /nfs/dbraw/zinc/31/21/63/566312163.db2.gz NIOBFEZPZRMDHT-UHFFFAOYSA-N 0 0 188.173 2.048 10 30 AEEERN CCC1CCC2(CC1)OC=CC2=O 675078668 566312170 /nfs/dbraw/zinc/31/21/70/566312170.db2.gz ILUBAMWEYFXQNG-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN C#Cc1ccccc1NC(=O)C1CCC1 675078870 566312215 /nfs/dbraw/zinc/31/22/15/566312215.db2.gz MJSMDSZADFKSIZ-UHFFFAOYSA-N 0 0 199.253 2.407 10 30 AEEERN C#Cc1ccccc1NC(=O)CC1CC1 675078667 566312381 /nfs/dbraw/zinc/31/23/81/566312381.db2.gz IKMNEKQFNXFVDC-UHFFFAOYSA-N 0 0 199.253 2.407 10 30 AEEERN C#Cc1ccccc1NC(=O)CC 675079208 566312939 /nfs/dbraw/zinc/31/29/39/566312939.db2.gz ROGSJRRYQGSULE-UHFFFAOYSA-N 0 0 173.215 2.016 10 30 AEEERN CC1(C)CCC2(CC1)OC=CC2=O 675079175 566313425 /nfs/dbraw/zinc/31/34/25/566313425.db2.gz QRISYOMGOWAXEF-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN CCCC[C@H](CC)N[C@@H](C)C#N 1257413186 1170012963 /nfs/dbraw/zinc/01/29/63/1170012963.db2.gz UBJARWYFBPHAHY-UWVGGRQHSA-N 0 0 168.284 2.457 10 30 AEEERN CCCC[C@@H](CC)N[C@H](C)C#N 1257413184 1170013159 /nfs/dbraw/zinc/01/31/59/1170013159.db2.gz UBJARWYFBPHAHY-NXEZZACHSA-N 0 0 168.284 2.457 10 30 AEEERN CCCC[C@H](CC)N[C@H](C)C#N 1257413188 1170013520 /nfs/dbraw/zinc/01/35/20/1170013520.db2.gz UBJARWYFBPHAHY-ZJUUUORDSA-N 0 0 168.284 2.457 10 30 AEEERN CCCC[C@@H](CC)NCC#N 1257410698 1170013902 /nfs/dbraw/zinc/01/39/02/1170013902.db2.gz XOUAIQKOMHFYJE-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN CCCC[C@@H](CC)N[C@@H](C)C#N 1257413187 1170014995 /nfs/dbraw/zinc/01/49/95/1170014995.db2.gz UBJARWYFBPHAHY-VHSXEESVSA-N 0 0 168.284 2.457 10 30 AEEERN CCCC[C@H](CC)NCC#N 1257410700 1170015398 /nfs/dbraw/zinc/01/53/98/1170015398.db2.gz XOUAIQKOMHFYJE-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN CCCC[C@@H](CC)N(C)CC#N 1257425543 1170017526 /nfs/dbraw/zinc/01/75/26/1170017526.db2.gz UGCOTDNBKAFNOQ-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN CCCC[C@H](CC)N(C)CC#N 1257425542 1170018498 /nfs/dbraw/zinc/01/84/98/1170018498.db2.gz UGCOTDNBKAFNOQ-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN CCCCC[C@@H](CC)NCC#N 1258430950 1170065471 /nfs/dbraw/zinc/06/54/71/1170065471.db2.gz VPIWZRSQBWEVDP-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN CCCCC[C@H](CC)NCC#N 1258430949 1170067301 /nfs/dbraw/zinc/06/73/01/1170067301.db2.gz VPIWZRSQBWEVDP-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN C[C@@H](CC1CC1)N1CC(C)(C#N)C1 1258458173 1170073132 /nfs/dbraw/zinc/07/31/32/1170073132.db2.gz RATKNQUKHWXROS-VIFPVBQESA-N 0 0 178.279 2.020 10 30 AEEERN C[C@H](CC1CC1)N1CC(C)(C#N)C1 1258458172 1170074560 /nfs/dbraw/zinc/07/45/60/1170074560.db2.gz RATKNQUKHWXROS-SECBINFHSA-N 0 0 178.279 2.020 10 30 AEEERN C=CCC[C@@H](C)N[C@@H]1CC1(F)F 1258716598 1170086481 /nfs/dbraw/zinc/08/64/81/1170086481.db2.gz CFQFVONPDJIMCB-HTQZYQBOSA-N 0 0 175.222 2.338 10 30 AEEERN C=CCC[C@H](C)N[C@@H]1CC1(F)F 1258716599 1170086971 /nfs/dbraw/zinc/08/69/71/1170086971.db2.gz CFQFVONPDJIMCB-JGVFFNPUSA-N 0 0 175.222 2.338 10 30 AEEERN C=CCC[C@@H](C)N[C@H]1CC1(F)F 1258716600 1170087038 /nfs/dbraw/zinc/08/70/38/1170087038.db2.gz CFQFVONPDJIMCB-SFYZADRCSA-N 0 0 175.222 2.338 10 30 AEEERN C=CCC[C@H](C)N[C@H]1CC1(F)F 1258716601 1170087853 /nfs/dbraw/zinc/08/78/53/1170087853.db2.gz CFQFVONPDJIMCB-YUMQZZPRSA-N 0 0 175.222 2.338 10 30 AEEERN C=CCC[C@H](C)[N@H+](C)Cc1ccno1 1258732767 1170098665 /nfs/dbraw/zinc/09/86/65/1170098665.db2.gz BZEHFNYSCWCMKZ-JTQLQIEISA-N 0 0 194.278 2.461 10 30 AEEERN C=CCC[C@@H](C)[N@H+](C)Cc1ccno1 1258732768 1170099283 /nfs/dbraw/zinc/09/92/83/1170099283.db2.gz BZEHFNYSCWCMKZ-SNVBAGLBSA-N 0 0 194.278 2.461 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1CCC[C@H](F)C1 1261437514 1170114228 /nfs/dbraw/zinc/11/42/28/1170114228.db2.gz DQFODLPCRAJRNM-GUBZILKMSA-N 0 0 199.269 2.205 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1CCC[C@@H](F)C1 1261437516 1170114868 /nfs/dbraw/zinc/11/48/68/1170114868.db2.gz DQFODLPCRAJRNM-LPEHRKFASA-N 0 0 199.269 2.205 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC[C@H](F)C1 1261437513 1170115738 /nfs/dbraw/zinc/11/57/38/1170115738.db2.gz DQFODLPCRAJRNM-AEJSXWLSSA-N 0 0 199.269 2.205 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC[C@@H](F)C1 1261437515 1170115789 /nfs/dbraw/zinc/11/57/89/1170115789.db2.gz DQFODLPCRAJRNM-IVZWLZJFSA-N 0 0 199.269 2.205 10 30 AEEERN C[C@@H](CC#N)c1nnc(C2CCC2)o1 1261575976 1170117485 /nfs/dbraw/zinc/11/74/85/1170117485.db2.gz APOZJKNVHYXELE-ZETCQYMHSA-N 0 0 191.234 2.354 10 30 AEEERN C[C@H](CC#N)c1nnc(C2CCC2)o1 1261575975 1170117818 /nfs/dbraw/zinc/11/78/18/1170117818.db2.gz APOZJKNVHYXELE-SSDOTTSWSA-N 0 0 191.234 2.354 10 30 AEEERN CC(C)(C)ON=C1CO[C@H](C2CC2)C1 1261652140 1170117854 /nfs/dbraw/zinc/11/78/54/1170117854.db2.gz BGOHUVNVLQQSLQ-JTQLQIEISA-N 0 0 197.278 2.356 10 30 AEEERN CC(C)(C)ON=C1CO[C@@H](C2CC2)C1 1261652141 1170117860 /nfs/dbraw/zinc/11/78/60/1170117860.db2.gz BGOHUVNVLQQSLQ-SNVBAGLBSA-N 0 0 197.278 2.356 10 30 AEEERN CC(C)C#Cc1nnc(CC(C)C)o1 1261572860 1170118214 /nfs/dbraw/zinc/11/82/14/1170118214.db2.gz BMBHUMIAOVJQSW-UHFFFAOYSA-N 0 0 192.262 2.276 10 30 AEEERN C=CCN(C)Cc1c(C)noc1CC 1262264490 1170127960 /nfs/dbraw/zinc/12/79/60/1170127960.db2.gz SYPBOBGUUSDYOP-UHFFFAOYSA-N 0 0 194.278 2.163 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@@H]1CC[C@H]1C 1262372462 1170131341 /nfs/dbraw/zinc/13/13/41/1170131341.db2.gz RZIHKTXUMXWNMA-RKDXNWHRSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H]1CC=CCC1 1262387206 1170130056 /nfs/dbraw/zinc/13/00/56/1170130056.db2.gz VOJZQVYTWIHEGG-JTQLQIEISA-N 0 0 193.290 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@H]1CC[C@H]1C 1262372459 1170130109 /nfs/dbraw/zinc/13/01/09/1170130109.db2.gz RZIHKTXUMXWNMA-BDAKNGLRSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@H]1CCN1C(=O)CC1(C)CC1 1262350238 1170130585 /nfs/dbraw/zinc/13/05/85/1170130585.db2.gz MREWIVWLXKELSC-JTQLQIEISA-N 0 0 193.290 2.354 10 30 AEEERN C=CC(C)(C)NC(=O)CC(C)C 1262351347 1170130796 /nfs/dbraw/zinc/13/07/96/1170130796.db2.gz ZOIQBTTUOPKMSJ-UHFFFAOYSA-N 0 0 169.268 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@@H]1CC[C@@H]1C 1262372460 1170130813 /nfs/dbraw/zinc/13/08/13/1170130813.db2.gz RZIHKTXUMXWNMA-DTWKUNHWSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@H]1CC[C@@H]1C 1262372461 1170131037 /nfs/dbraw/zinc/13/10/37/1170131037.db2.gz RZIHKTXUMXWNMA-IUCAKERBSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1CC=CCC1 1262387207 1170131292 /nfs/dbraw/zinc/13/12/92/1170131292.db2.gz VOJZQVYTWIHEGG-SNVBAGLBSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)C1CCCC1 1262387118 1170131281 /nfs/dbraw/zinc/13/12/81/1170131281.db2.gz RUEOZDBKJBAYRD-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)CC1(C)CC1 1262350239 1170131359 /nfs/dbraw/zinc/13/13/59/1170131359.db2.gz MREWIVWLXKELSC-SNVBAGLBSA-N 0 0 193.290 2.354 10 30 AEEERN C=C(C)CCC(=O)N1CC(C2CC2)C1 1262625248 1170134873 /nfs/dbraw/zinc/13/48/73/1170134873.db2.gz DHPQTJYCVWZECG-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)CCC(=O)N[C@@H]1CC[C@H]1C 1262624499 1170134949 /nfs/dbraw/zinc/13/49/49/1170134949.db2.gz IMKYBRMNZWBCKJ-NXEZZACHSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(C)CCC(=O)N[C@@H]1CC[C@@H]1C 1262624501 1170135000 /nfs/dbraw/zinc/13/50/00/1170135000.db2.gz IMKYBRMNZWBCKJ-VHSXEESVSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(C)CCC(=O)N[C@H]1CC[C@H]1C 1262624502 1170135320 /nfs/dbraw/zinc/13/53/20/1170135320.db2.gz IMKYBRMNZWBCKJ-ZJUUUORDSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(C)CCC(=O)N[C@H]1CC[C@@H]1C 1262624500 1170135341 /nfs/dbraw/zinc/13/53/41/1170135341.db2.gz IMKYBRMNZWBCKJ-UWVGGRQHSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(C)CCC(=O)N1CCC(F)CC1 1262637858 1170135650 /nfs/dbraw/zinc/13/56/50/1170135650.db2.gz GXHIVWPOYNTGRK-UHFFFAOYSA-N 0 0 199.269 2.303 10 30 AEEERN C=C1CCN(c2ccc(F)cn2)CC1 1262682532 1170137331 /nfs/dbraw/zinc/13/73/31/1170137331.db2.gz AOZXSNZTLAETLM-UHFFFAOYSA-N 0 0 192.237 2.377 10 30 AEEERN C#CC[C@H](C)OC(=O)C(F)=C1CCC1 1263383592 1170142240 /nfs/dbraw/zinc/14/22/40/1170142240.db2.gz AWWPVMSZWGSHNI-QMMMGPOBSA-N 0 0 196.221 2.349 10 30 AEEERN C=C(C)CCOC(=O)[C@@H](F)CC 1263391573 1170142460 /nfs/dbraw/zinc/14/24/60/1170142460.db2.gz FVIUDTNHKBRTQE-QMMMGPOBSA-N 0 0 174.215 2.244 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@@H]1CC=CCC1 1263388818 1170142515 /nfs/dbraw/zinc/14/25/15/1170142515.db2.gz DMQBAQCWYWTCHM-GHMZBOCLSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H]1CC=CCC1 1263388821 1170142730 /nfs/dbraw/zinc/14/27/30/1170142730.db2.gz DMQBAQCWYWTCHM-WDEREUQCSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@H]1CC=CCC1 1263388819 1170142828 /nfs/dbraw/zinc/14/28/28/1170142828.db2.gz DMQBAQCWYWTCHM-MNOVXSKESA-N 0 0 192.258 2.298 10 30 AEEERN C=C(C)CCC(=O)O[C@@H](C)CC#N 1263373318 1170143129 /nfs/dbraw/zinc/14/31/29/1170143129.db2.gz CZVIYXILTNUHNX-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN C=C(C)CCC(=O)O[C@H](C)CC#N 1263373317 1170143134 /nfs/dbraw/zinc/14/31/34/1170143134.db2.gz CZVIYXILTNUHNX-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C=C(C)CCOC(=O)[C@H](F)CC 1263391572 1170143319 /nfs/dbraw/zinc/14/33/19/1170143319.db2.gz FVIUDTNHKBRTQE-MRVPVSSYSA-N 0 0 174.215 2.244 10 30 AEEERN C#CC[C@@H](C)OC(=O)C(F)=C1CCC1 1263383591 1170143695 /nfs/dbraw/zinc/14/36/95/1170143695.db2.gz AWWPVMSZWGSHNI-MRVPVSSYSA-N 0 0 196.221 2.349 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H]1CC=CCC1 1263388820 1170143917 /nfs/dbraw/zinc/14/39/17/1170143917.db2.gz DMQBAQCWYWTCHM-QWRGUYRKSA-N 0 0 192.258 2.298 10 30 AEEERN CCCCC(=O)O[C@@H](CC#N)C1CC1 1263659687 1170144454 /nfs/dbraw/zinc/14/44/54/1170144454.db2.gz QOMRFJBATXCPLS-JTQLQIEISA-N 0 0 195.262 2.412 10 30 AEEERN C=C[C@@H](CC)CC(=O)OC1CC1 1263470366 1170144767 /nfs/dbraw/zinc/14/47/67/1170144767.db2.gz BBBTVGJNVOXPNJ-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN CCCCC(=O)O[C@H](CC#N)C1CC1 1263659688 1170145422 /nfs/dbraw/zinc/14/54/22/1170145422.db2.gz QOMRFJBATXCPLS-SNVBAGLBSA-N 0 0 195.262 2.412 10 30 AEEERN C=C[C@H](CC)CC(=O)OC1CC1 1263470365 1170145762 /nfs/dbraw/zinc/14/57/62/1170145762.db2.gz BBBTVGJNVOXPNJ-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(CC)C(=O)N[C@H](C)C1(C)CC1 1263967011 1170147875 /nfs/dbraw/zinc/14/78/75/1170147875.db2.gz DJAUYPZIBOYKOK-SECBINFHSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(CC(C)C)C(=O)NOC(C)C 1263836096 1170148808 /nfs/dbraw/zinc/14/88/08/1170148808.db2.gz PPPQEVSDZKUPHY-UHFFFAOYSA-N 0 0 185.267 2.045 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1CCCC[C@@H]1F 1263870869 1170148817 /nfs/dbraw/zinc/14/88/17/1170148817.db2.gz LPKNTPJBASWBJG-VHSXEESVSA-N 0 0 199.269 2.350 10 30 AEEERN C=C(CC(C)C)C(=O)N(C)CC#CC 1263834865 1170148984 /nfs/dbraw/zinc/14/89/84/1170148984.db2.gz WWLXXKINTMOJMN-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN C#CCC1(NC(=O)C(=C)CC)CCC1 1263947304 1170149197 /nfs/dbraw/zinc/14/91/97/1170149197.db2.gz NYKDOLZDHDSZLD-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C=C(CC)C(=O)NC1(C)CC=CC1 1263859091 1170149398 /nfs/dbraw/zinc/14/93/98/1170149398.db2.gz BNPYQLQVQOWSGR-UHFFFAOYSA-N 0 0 179.263 2.178 10 30 AEEERN C=C(CC)C(=O)N[C@@H](C)C1(C)CC1 1263967012 1170150099 /nfs/dbraw/zinc/15/00/99/1170150099.db2.gz DJAUYPZIBOYKOK-VIFPVBQESA-N 0 0 181.279 2.257 10 30 AEEERN C#CCCCCNC(=O)C/C=C/C=C 1294993943 1170172801 /nfs/dbraw/zinc/17/28/01/1170172801.db2.gz REUNVZZYOPVMQP-SOFGYWHQSA-N 0 0 191.274 2.038 10 30 AEEERN C#CCCCCNC(=O)C/C=C\C=C 1294993964 1170173215 /nfs/dbraw/zinc/17/32/15/1170173215.db2.gz REUNVZZYOPVMQP-VURMDHGXSA-N 0 0 191.274 2.038 10 30 AEEERN C=CC[C@H](C)NC(=O)CC(C)(C)C#N 1293501560 1170174536 /nfs/dbraw/zinc/17/45/36/1170174536.db2.gz BOLURCIKFLFERL-VIFPVBQESA-N 0 0 194.278 2.007 10 30 AEEERN C=CC[C@@H](C)NC(=O)CC(C)(C)C#N 1293501533 1170175103 /nfs/dbraw/zinc/17/51/03/1170175103.db2.gz BOLURCIKFLFERL-SECBINFHSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(CC)C(=O)Nc1ccsn1 1302926636 1170178540 /nfs/dbraw/zinc/17/85/40/1170178540.db2.gz NQJOESOWIGCENU-UHFFFAOYSA-N 0 0 182.248 2.048 10 30 AEEERN C#C[C@@H](C)Nc1cc(F)ccc1C#N 1307103529 1170180395 /nfs/dbraw/zinc/18/03/95/1170180395.db2.gz SICDSCRJZYZFKJ-MRVPVSSYSA-N 0 0 188.205 2.131 10 30 AEEERN CC1CN(c2cc(F)ccc2C#N)C1 1307090693 1170180499 /nfs/dbraw/zinc/18/04/99/1170180499.db2.gz LSNBNSPSYQJSKS-UHFFFAOYSA-N 0 0 190.221 2.153 10 30 AEEERN C#C[C@H](C)Nc1cc(F)ccc1C#N 1307103552 1170180518 /nfs/dbraw/zinc/18/05/18/1170180518.db2.gz SICDSCRJZYZFKJ-QMMMGPOBSA-N 0 0 188.205 2.131 10 30 AEEERN C=C=CCNc1snc(C)c1C#N 1307128227 1170180586 /nfs/dbraw/zinc/18/05/86/1170180586.db2.gz IDOSSTCOOJKRDN-UHFFFAOYSA-N 0 0 191.259 2.076 10 30 AEEERN C[C@@H](Cc1ccsc1)N(C)CC#N 1307514205 1170182798 /nfs/dbraw/zinc/18/27/98/1170182798.db2.gz QSFVKLWXWJRYSX-VIFPVBQESA-N 0 0 194.303 2.134 10 30 AEEERN C[C@H](Cc1ccsc1)N(C)CC#N 1307514204 1170184128 /nfs/dbraw/zinc/18/41/28/1170184128.db2.gz QSFVKLWXWJRYSX-SECBINFHSA-N 0 0 194.303 2.134 10 30 AEEERN N#CCN1CC=CC12CCCCC2 1308170421 1170190954 /nfs/dbraw/zinc/19/09/54/1170190954.db2.gz GMSQCOKFCXREAT-UHFFFAOYSA-N 0 0 176.263 2.085 10 30 AEEERN CCn1cc(C=NOC(C)(C)C)cn1 1320325125 1170208686 /nfs/dbraw/zinc/20/86/86/1170208686.db2.gz IDQGSZZINXOSGO-UHFFFAOYSA-N 0 0 195.266 2.052 10 30 AEEERN CC#CCC[N@H+](C)CCC(F)(F)F 1321161640 1170211160 /nfs/dbraw/zinc/21/11/60/1170211160.db2.gz CZHDOVSSMYBFOW-UHFFFAOYSA-N 0 0 193.212 2.284 10 30 AEEERN CC#CCOC(=O)c1occ(C)c1C 1321986502 1170218070 /nfs/dbraw/zinc/21/80/70/1170218070.db2.gz HCFVIZCDJUSXSF-UHFFFAOYSA-N 0 0 192.214 2.077 10 30 AEEERN CC#CC(=O)Nc1ccc2cc[nH]c2c1 1322704436 1170219083 /nfs/dbraw/zinc/21/90/83/1170219083.db2.gz QDRVSWIULHDROC-UHFFFAOYSA-N 0 0 198.225 2.130 10 30 AEEERN C=CCNC(=O)c1c(C)cccc1F 1323739397 1170220241 /nfs/dbraw/zinc/22/02/41/1170220241.db2.gz VDKOSFQFVULQOH-UHFFFAOYSA-N 0 0 193.221 2.050 10 30 AEEERN CCc1nocc1C=NOC(C)(C)C 1324206566 1170220424 /nfs/dbraw/zinc/22/04/24/1170220424.db2.gz ASMYATLZYLHMMM-UHFFFAOYSA-N 0 0 196.250 2.386 10 30 AEEERN COC1(C=NOCCC2CC2)CCC1 1324429724 1170224024 /nfs/dbraw/zinc/22/40/24/1170224024.db2.gz HBBSSBKPGKAGES-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NOC(C)C 1324790960 1170225926 /nfs/dbraw/zinc/22/59/26/1170225926.db2.gz DHUGFAXHBPAYFY-VIFPVBQESA-N 0 0 185.267 2.045 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NOC(C)C 1324790959 1170226761 /nfs/dbraw/zinc/22/67/61/1170226761.db2.gz DHUGFAXHBPAYFY-SECBINFHSA-N 0 0 185.267 2.045 10 30 AEEERN CCN1CCCc2c(C#N)cccc21 1326027474 1170236748 /nfs/dbraw/zinc/23/67/48/1170236748.db2.gz QMYLCJQQKFPYQL-UHFFFAOYSA-N 0 0 186.258 2.331 10 30 AEEERN C=C(CC)CNC(=O)C1(CF)CCC1 1326364428 1170240381 /nfs/dbraw/zinc/24/03/81/1170240381.db2.gz PZRNHFFCXQZQJI-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=C(C)CCNC(=O)C1(CF)CCC1 1326354731 1170240960 /nfs/dbraw/zinc/24/09/60/1170240960.db2.gz LKPWAOJXHUFQHS-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=CCCN(C)c1nc(C)ncc1C 1326885358 1170244227 /nfs/dbraw/zinc/24/42/27/1170244227.db2.gz GLEPLVWYLQKVOD-UHFFFAOYSA-N 0 0 191.278 2.106 10 30 AEEERN C=C(C)CCNc1nc(C)ncc1C 1326886003 1170244603 /nfs/dbraw/zinc/24/46/03/1170244603.db2.gz MLPBPWPAISMDMN-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C#CCCCc1nnc(C(C)(C)C)o1 1327024949 1170245412 /nfs/dbraw/zinc/24/54/12/1170245412.db2.gz BAIMLLURUYAEHV-UHFFFAOYSA-N 0 0 192.262 2.323 10 30 AEEERN C=C(CC)COC(=O)[C@H](C)CC#N 1327174935 1170246211 /nfs/dbraw/zinc/24/62/11/1170246211.db2.gz HEFVDVQGDKIWRK-SECBINFHSA-N 0 0 181.235 2.046 10 30 AEEERN C[C@@H](CC#N)C(=O)OCC1CCCC1 1327174401 1170246770 /nfs/dbraw/zinc/24/67/70/1170246770.db2.gz CDLWPHNVFNGPRL-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@@H](CC#N)C(=O)OC1CCCC1 1327136888 1170247630 /nfs/dbraw/zinc/24/76/30/1170247630.db2.gz HZKDTEAEOIHRIG-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN C[C@H](CC#N)C(=O)OCC1CCCC1 1327174392 1170248070 /nfs/dbraw/zinc/24/80/70/1170248070.db2.gz CDLWPHNVFNGPRL-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](CC#N)C(=O)OC1CCCC1 1327136886 1170248396 /nfs/dbraw/zinc/24/83/96/1170248396.db2.gz HZKDTEAEOIHRIG-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN C=C(CC)COC(=O)[C@@H](C)CC#N 1327174936 1170248598 /nfs/dbraw/zinc/24/85/98/1170248598.db2.gz HEFVDVQGDKIWRK-VIFPVBQESA-N 0 0 181.235 2.046 10 30 AEEERN C=CCSCC[C@@H]1CCOC1 1327519231 1170249299 /nfs/dbraw/zinc/24/92/99/1170249299.db2.gz HHUMTSIWHFMRIW-VIFPVBQESA-N 0 0 172.293 2.332 10 30 AEEERN CC[C@H](C)COC(=O)[C@H](C)CC#N 1327504381 1170249733 /nfs/dbraw/zinc/24/97/33/1170249733.db2.gz IOVJQWJEOUICNW-DTWKUNHWSA-N 0 0 183.251 2.125 10 30 AEEERN C[C@@H](CC#N)c1nnc(CC2CC2)o1 1327352277 1170249904 /nfs/dbraw/zinc/24/99/04/1170249904.db2.gz GDCSQGYNBNDRRA-ZETCQYMHSA-N 0 0 191.234 2.039 10 30 AEEERN C=CCSCC[C@H]1CCOC1 1327519213 1170250010 /nfs/dbraw/zinc/25/00/10/1170250010.db2.gz HHUMTSIWHFMRIW-SECBINFHSA-N 0 0 172.293 2.332 10 30 AEEERN C[C@H](CC#N)c1nnc(CC2CC2)o1 1327352276 1170250329 /nfs/dbraw/zinc/25/03/29/1170250329.db2.gz GDCSQGYNBNDRRA-SSDOTTSWSA-N 0 0 191.234 2.039 10 30 AEEERN CC[C@@H](C)COC(=O)[C@H](C)CC#N 1327504386 1170250495 /nfs/dbraw/zinc/25/04/95/1170250495.db2.gz IOVJQWJEOUICNW-RKDXNWHRSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)(C)ON=CCC[C@@H]1CCO1 1327459690 1170250572 /nfs/dbraw/zinc/25/05/72/1170250572.db2.gz GPRZMDHVJYNLHA-SECBINFHSA-N 0 0 185.267 2.356 10 30 AEEERN C[C@H](CC#N)C(=O)O[C@@H]1C=CCCC1 1327505357 1170250925 /nfs/dbraw/zinc/25/09/25/1170250925.db2.gz NXVTUSAMXHQTPM-NXEZZACHSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)C(=O)O[C@@H]1C=CCCC1 1327505358 1170251316 /nfs/dbraw/zinc/25/13/16/1170251316.db2.gz NXVTUSAMXHQTPM-VHSXEESVSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)(C)C#Cc1nnc(C2CC2)o1 1327317547 1170251503 /nfs/dbraw/zinc/25/15/03/1170251503.db2.gz BOCDDNRKWAZVFC-UHFFFAOYSA-N 0 0 190.246 2.345 10 30 AEEERN CC[C@H](C)COC(=O)[C@@H](C)CC#N 1327504383 1170251629 /nfs/dbraw/zinc/25/16/29/1170251629.db2.gz IOVJQWJEOUICNW-IUCAKERBSA-N 0 0 183.251 2.125 10 30 AEEERN CC[C@@H](C)COC(=O)[C@@H](C)CC#N 1327504377 1170251800 /nfs/dbraw/zinc/25/18/00/1170251800.db2.gz IOVJQWJEOUICNW-BDAKNGLRSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)(C)ON=CCC[C@H]1CCO1 1327459691 1170251831 /nfs/dbraw/zinc/25/18/31/1170251831.db2.gz GPRZMDHVJYNLHA-VIFPVBQESA-N 0 0 185.267 2.356 10 30 AEEERN CC#CCCCc1nnc(C2CC2)o1 1327822124 1170256075 /nfs/dbraw/zinc/25/60/75/1170256075.db2.gz CHFXELHSEPOQAS-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN CCCCCOC(=O)[C@@H](C)CC#N 1327995511 1170257025 /nfs/dbraw/zinc/25/70/25/1170257025.db2.gz JFKXPHAYEAFVIZ-VIFPVBQESA-N 0 0 183.251 2.270 10 30 AEEERN CCCCCOC(=O)[C@H](C)CC#N 1327995510 1170257173 /nfs/dbraw/zinc/25/71/73/1170257173.db2.gz JFKXPHAYEAFVIZ-SECBINFHSA-N 0 0 183.251 2.270 10 30 AEEERN C=CCC1(c2nnc(C)o2)CCC1 1327916171 1170258476 /nfs/dbraw/zinc/25/84/76/1170258476.db2.gz HHWUHWJSAZAOJM-UHFFFAOYSA-N 0 0 178.235 2.376 10 30 AEEERN CC[C@H]1CC(=NOC(C)(C)C)CO1 1328537529 1170263881 /nfs/dbraw/zinc/26/38/81/1170263881.db2.gz LGCOYZZWSFPQDQ-VIFPVBQESA-N 0 0 185.267 2.356 10 30 AEEERN CC[C@@H]1CC(=NOC(C)(C)C)CO1 1328537527 1170264103 /nfs/dbraw/zinc/26/41/03/1170264103.db2.gz LGCOYZZWSFPQDQ-SECBINFHSA-N 0 0 185.267 2.356 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC[C@@H](F)C1 1329159866 1170265819 /nfs/dbraw/zinc/26/58/19/1170265819.db2.gz GUCCNCZDZKKEFO-RKDXNWHRSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCOC(=O)[C@H]1CCC[C@H](F)C1 1329159865 1170266157 /nfs/dbraw/zinc/26/61/57/1170266157.db2.gz GUCCNCZDZKKEFO-IUCAKERBSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCOC(=O)[C@H]1CCC[C@@H](F)C1 1329159864 1170266384 /nfs/dbraw/zinc/26/63/84/1170266384.db2.gz GUCCNCZDZKKEFO-DTWKUNHWSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC[C@H](F)C1 1329159863 1170266624 /nfs/dbraw/zinc/26/66/24/1170266624.db2.gz GUCCNCZDZKKEFO-BDAKNGLRSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCCCOC(=O)[C@@H](C)CC#N 1329469680 1170269299 /nfs/dbraw/zinc/26/92/99/1170269299.db2.gz MLWWYRGQBFBJGG-VIFPVBQESA-N 0 0 181.235 2.046 10 30 AEEERN C=CCCCOC(=O)[C@H](C)CC#N 1329469652 1170269404 /nfs/dbraw/zinc/26/94/04/1170269404.db2.gz MLWWYRGQBFBJGG-SECBINFHSA-N 0 0 181.235 2.046 10 30 AEEERN C=C(C)CN(C)c1nc(C)ncc1C 1329460580 1170270171 /nfs/dbraw/zinc/27/01/71/1170270171.db2.gz LXNQMNZDCGOQBF-UHFFFAOYSA-N 0 0 191.278 2.106 10 30 AEEERN CC(C)(C)c1cn(CCCC#N)cn1 1329721737 1170272114 /nfs/dbraw/zinc/27/21/14/1170272114.db2.gz BSZLNBRDQXZTST-UHFFFAOYSA-N 0 0 191.278 2.484 10 30 AEEERN C=C(CC)CNc1nc(C)ncc1C 1329975907 1170274147 /nfs/dbraw/zinc/27/41/47/1170274147.db2.gz ARTVVUDQZFRWHB-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN CCC[C@H](C)OC(=O)[C@H](C)CC#N 1330230348 1170276593 /nfs/dbraw/zinc/27/65/93/1170276593.db2.gz GYHBZFCBGFDPQB-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN CCC[C@@H](C)OC(=O)[C@@H](C)CC#N 1330230350 1170276973 /nfs/dbraw/zinc/27/69/73/1170276973.db2.gz GYHBZFCBGFDPQB-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN CC(C)CON=C1CC[C@@H]2C[C@H]12 1330107778 1170277388 /nfs/dbraw/zinc/27/73/88/1170277388.db2.gz CZGCSGQOAJZLIM-BDAKNGLRSA-N 0 0 167.252 2.445 10 30 AEEERN CCC[C@H](C)OC(=O)[C@@H](C)CC#N 1330230351 1170277417 /nfs/dbraw/zinc/27/74/17/1170277417.db2.gz GYHBZFCBGFDPQB-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN C#CCCCc1nnc(C2CCC2)o1 1330109256 1170277572 /nfs/dbraw/zinc/27/75/72/1170277572.db2.gz DVPGMJFUIYLSAN-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN CCC[C@@H](C)OC(=O)[C@H](C)CC#N 1330230353 1170277637 /nfs/dbraw/zinc/27/76/37/1170277637.db2.gz GYHBZFCBGFDPQB-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN CC(C)(C)c1nnc(C#CC2CC2)o1 1330092035 1170277866 /nfs/dbraw/zinc/27/78/66/1170277866.db2.gz GPOZDYHSWSJIIN-UHFFFAOYSA-N 0 0 190.246 2.129 10 30 AEEERN C=CCCC(=O)NC/C=C\C1CC1 1330562636 1170278831 /nfs/dbraw/zinc/27/88/31/1170278831.db2.gz DAFPPCXNDAKYEO-PLNGDYQASA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCC(=O)NC/C=C/C1CC1 1330562642 1170280285 /nfs/dbraw/zinc/28/02/85/1170280285.db2.gz DAFPPCXNDAKYEO-SNAWJCMRSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCCC(=O)N(OC)C(C)C 1330703103 1170282666 /nfs/dbraw/zinc/28/26/66/1170282666.db2.gz BIRYIWWJXJVARY-UHFFFAOYSA-N 0 0 185.267 2.141 10 30 AEEERN CCCON=C1CCc2cccnc21 1330882632 1170287108 /nfs/dbraw/zinc/28/71/08/1170287108.db2.gz HQEOFFZHCSDCGD-UHFFFAOYSA-N 0 0 190.246 2.159 10 30 AEEERN C1CCC(=NNC2CCSCC2)C1 1331347667 1170289773 /nfs/dbraw/zinc/28/97/73/1170289773.db2.gz YWNBSFMFAQIQQT-UHFFFAOYSA-N 0 0 198.335 2.402 10 30 AEEERN CC/C(C)=C\C(=O)N(CC)[C@H](C)C#N 1331279567 1170289793 /nfs/dbraw/zinc/28/97/93/1170289793.db2.gz CRFOKFUBXCQTDB-UJICNMFASA-N 0 0 194.278 2.103 10 30 AEEERN CC/C(C)=C/C(=O)N(CC)[C@H](C)C#N 1331279566 1170289830 /nfs/dbraw/zinc/28/98/30/1170289830.db2.gz CRFOKFUBXCQTDB-TTZKWOQHSA-N 0 0 194.278 2.103 10 30 AEEERN C=CC[C@@H](C)Sc1n[nH]c(C)n1 1331257020 1170289919 /nfs/dbraw/zinc/28/99/19/1170289919.db2.gz IZFSYJRPFWUXFX-ZCFIWIBFSA-N 0 0 183.280 2.170 10 30 AEEERN CC/C(C)=C\C(=O)N(CC)[C@@H](C)C#N 1331279565 1170290222 /nfs/dbraw/zinc/29/02/22/1170290222.db2.gz CRFOKFUBXCQTDB-RNKPRXRFSA-N 0 0 194.278 2.103 10 30 AEEERN C#CCNN=C1CC(C)(C)CC[C@H]1C 1331329479 1170290481 /nfs/dbraw/zinc/29/04/81/1170290481.db2.gz ADCYJUAKVFQXNH-SNVBAGLBSA-N 0 0 192.306 2.411 10 30 AEEERN C1CCC(=NN[C@@H]2CCCSC2)C1 1331366009 1170290503 /nfs/dbraw/zinc/29/05/03/1170290503.db2.gz ZTZOWXMOAYSIEB-SNVBAGLBSA-N 0 0 198.335 2.402 10 30 AEEERN CC/C(C)=C/C(=O)N(CC)[C@@H](C)C#N 1331279562 1170290532 /nfs/dbraw/zinc/29/05/32/1170290532.db2.gz CRFOKFUBXCQTDB-PCYYEKQGSA-N 0 0 194.278 2.103 10 30 AEEERN C=CC[C@H](C)Sc1n[nH]c(C)n1 1331256995 1170290627 /nfs/dbraw/zinc/29/06/27/1170290627.db2.gz IZFSYJRPFWUXFX-LURJTMIESA-N 0 0 183.280 2.170 10 30 AEEERN C#CCNN=C1CC(C)(C)CC[C@@H]1C 1331329462 1170291064 /nfs/dbraw/zinc/29/10/64/1170291064.db2.gz ADCYJUAKVFQXNH-JTQLQIEISA-N 0 0 192.306 2.411 10 30 AEEERN C1CCC(=NN[C@H]2CCCSC2)C1 1331366008 1170291374 /nfs/dbraw/zinc/29/13/74/1170291374.db2.gz ZTZOWXMOAYSIEB-JTQLQIEISA-N 0 0 198.335 2.402 10 30 AEEERN C=C1CC(c2noc(CC3CC3)n2)C1 1331617313 1170292769 /nfs/dbraw/zinc/29/27/69/1170292769.db2.gz FURVLSYGQVVYAX-UHFFFAOYSA-N 0 0 190.246 2.456 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cc[nH]c1C 1331541360 1170292825 /nfs/dbraw/zinc/29/28/25/1170292825.db2.gz HHKORTICIMGFRQ-MRVPVSSYSA-N 0 0 193.246 2.445 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cc[nH]c1C 1331541361 1170293478 /nfs/dbraw/zinc/29/34/78/1170293478.db2.gz HHKORTICIMGFRQ-QMMMGPOBSA-N 0 0 193.246 2.445 10 30 AEEERN CCN(CC#N)C(=O)OCCC(C)C 1331552475 1170294047 /nfs/dbraw/zinc/29/40/47/1170294047.db2.gz GGDVYDFSZUIFJC-UHFFFAOYSA-N 0 0 198.266 2.015 10 30 AEEERN C=C1CC(C)(C(=O)NOC(C)(C)C)C1 1331803746 1170296087 /nfs/dbraw/zinc/29/60/87/1170296087.db2.gz VZGGYEHFGCQGBF-UHFFFAOYSA-N 0 0 197.278 2.189 10 30 AEEERN Cc1nnc(-c2ccc(C#N)cc2C)o1 1331860578 1170296841 /nfs/dbraw/zinc/29/68/41/1170296841.db2.gz OXCZUNZJZZDGDG-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C=C(C)COC(=O)C1(CF)CCC1 1332134161 1170300094 /nfs/dbraw/zinc/30/00/94/1170300094.db2.gz BRBRLOXILRKNKN-UHFFFAOYSA-N 0 0 186.226 2.246 10 30 AEEERN C=CCOC(=O)c1c(C)cccc1F 1332161511 1170301523 /nfs/dbraw/zinc/30/15/23/1170301523.db2.gz WMYWNVPDQSINBW-UHFFFAOYSA-N 0 0 194.205 2.477 10 30 AEEERN C=CCCC(=O)Nc1ccns1 1332211046 1170302431 /nfs/dbraw/zinc/30/24/31/1170302431.db2.gz SVDDWVKFPVPBDX-UHFFFAOYSA-N 0 0 182.248 2.048 10 30 AEEERN CC(C)Cc1nnc([C@@H](C)CC#N)o1 1333105339 1170317523 /nfs/dbraw/zinc/31/75/23/1170317523.db2.gz MTABVSQCEDJQMV-QMMMGPOBSA-N 0 0 193.250 2.285 10 30 AEEERN CC(C)Cc1nnc([C@H](C)CC#N)o1 1333105338 1170318652 /nfs/dbraw/zinc/31/86/52/1170318652.db2.gz MTABVSQCEDJQMV-MRVPVSSYSA-N 0 0 193.250 2.285 10 30 AEEERN C=CCON=C1COC[C@H]1CC(C)C 1333184462 1170318910 /nfs/dbraw/zinc/31/89/10/1170318910.db2.gz YOPMXUMICKNVET-SNVBAGLBSA-N 0 0 197.278 2.238 10 30 AEEERN C=CCON=C1COC[C@@H]1CC(C)C 1333184460 1170320960 /nfs/dbraw/zinc/32/09/60/1170320960.db2.gz YOPMXUMICKNVET-JTQLQIEISA-N 0 0 197.278 2.238 10 30 AEEERN CC(C)ON=C1CCc2cccnc21 1333183101 1170321189 /nfs/dbraw/zinc/32/11/89/1170321189.db2.gz BCPCKRYIXVQPEJ-UHFFFAOYSA-N 0 0 190.246 2.157 10 30 AEEERN C=CC(C)(C)NC(=O)c1occc1C 1333580708 1170325104 /nfs/dbraw/zinc/32/51/04/1170325104.db2.gz HGKMFLLJNZVHIF-UHFFFAOYSA-N 0 0 193.246 2.282 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C/C=C/C 1333627953 1170327752 /nfs/dbraw/zinc/32/77/52/1170327752.db2.gz PXLOUAWVYVMNFG-ZIRGRKGMSA-N 0 0 179.263 2.200 10 30 AEEERN C=C(C)CCNC(=O)C1(C2CC2)CC1 1333683613 1170328393 /nfs/dbraw/zinc/32/83/93/1170328393.db2.gz VSSSDMXRNVOBHI-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H](F)C(C)C 1333627720 1170328913 /nfs/dbraw/zinc/32/89/13/1170328913.db2.gz KPYVNSWDEZSTAX-QMMMGPOBSA-N 0 0 187.258 2.061 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H](F)C(C)C 1333627719 1170329916 /nfs/dbraw/zinc/32/99/16/1170329916.db2.gz KPYVNSWDEZSTAX-MRVPVSSYSA-N 0 0 187.258 2.061 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C/C=C\C 1333627952 1170330238 /nfs/dbraw/zinc/33/02/38/1170330238.db2.gz PXLOUAWVYVMNFG-SUHGFZJFSA-N 0 0 179.263 2.200 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccc[nH]1 1333811573 1170330407 /nfs/dbraw/zinc/33/04/07/1170330407.db2.gz AJBLTOFOXUEZOR-MRVPVSSYSA-N 0 0 179.219 2.136 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccc[nH]1 1333811574 1170331730 /nfs/dbraw/zinc/33/17/30/1170331730.db2.gz AJBLTOFOXUEZOR-QMMMGPOBSA-N 0 0 179.219 2.136 10 30 AEEERN C=CCN(C)Cc1ccc(OCC)o1 1333719316 1170331759 /nfs/dbraw/zinc/33/17/59/1170331759.db2.gz VKHAFLQJLAZDAU-UHFFFAOYSA-N 0 0 195.262 2.296 10 30 AEEERN C#CCCCC(=O)OCC/C=C\C=C 1333926483 1170334737 /nfs/dbraw/zinc/33/47/37/1170334737.db2.gz DUCRTGDNYJOWCQ-ALCCZGGFSA-N 0 0 192.258 2.465 10 30 AEEERN C#CCCCC(=O)OCC/C=C/C=C 1333926506 1170335236 /nfs/dbraw/zinc/33/52/36/1170335236.db2.gz DUCRTGDNYJOWCQ-FNORWQNLSA-N 0 0 192.258 2.465 10 30 AEEERN C#CCCCCNc1ncc(C)o1 1333911259 1170335799 /nfs/dbraw/zinc/33/57/99/1170335799.db2.gz GHEDJCCTGAPMPI-UHFFFAOYSA-N 0 0 178.235 2.198 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)CC1CCC1 1333921518 1170335983 /nfs/dbraw/zinc/33/59/83/1170335983.db2.gz OIIKEQPHGABYOV-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@H]1CCN1C(=O)CC1CCC1 1333921519 1170336347 /nfs/dbraw/zinc/33/63/47/1170336347.db2.gz OIIKEQPHGABYOV-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C=CC(C)(C)NC(=O)CCCC#CC 1334066438 1170337735 /nfs/dbraw/zinc/33/77/35/1170337735.db2.gz NXADPWCXAFDCRE-UHFFFAOYSA-N 0 0 193.290 2.261 10 30 AEEERN C=CC(C)(C)C(=O)Nc1ccns1 1334238728 1170340977 /nfs/dbraw/zinc/34/09/77/1170340977.db2.gz PGSSFKHEZYMFFV-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN C=CC(C)(C)NC(=O)/C(=C\C)CC 1334428161 1170341943 /nfs/dbraw/zinc/34/19/43/1170341943.db2.gz PUKZLSMBXFHEMA-TWGQIWQCSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)/C(=C/C)CC 1334428157 1170342081 /nfs/dbraw/zinc/34/20/81/1170342081.db2.gz PUKZLSMBXFHEMA-RMKNXTFCSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)CC1CCC1 1334843617 1170346442 /nfs/dbraw/zinc/34/64/42/1170346442.db2.gz YLMCCMVGRTXYMR-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C=CC(C)(C)NC(=O)C1(F)CCCC1 1335647670 1170358114 /nfs/dbraw/zinc/35/81/14/1170358114.db2.gz OIKPMPGELCUREX-UHFFFAOYSA-N 0 0 199.269 2.350 10 30 AEEERN C=CCN(C)[C@H](C)c1snnc1C 1335832464 1170359361 /nfs/dbraw/zinc/35/93/61/1170359361.db2.gz TZSIWEKMJYTPDD-MRVPVSSYSA-N 0 0 197.307 2.025 10 30 AEEERN C=CCN(C)[C@@H](C)c1snnc1C 1335832466 1170359919 /nfs/dbraw/zinc/35/99/19/1170359919.db2.gz TZSIWEKMJYTPDD-QMMMGPOBSA-N 0 0 197.307 2.025 10 30 AEEERN C#CCC1(NC(=O)C=C)CCCCC1 1335867590 1170361206 /nfs/dbraw/zinc/36/12/06/1170361206.db2.gz UKLBYHMTDHERPU-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C=C(C)CCC(=O)N[C@@H]1C[C@H]1C1CC1 1335940802 1170364209 /nfs/dbraw/zinc/36/42/09/1170364209.db2.gz NJQWZDKCEIERDI-WDEREUQCSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(C)CCC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1335962187 1170364491 /nfs/dbraw/zinc/36/44/91/1170364491.db2.gz NBYDXAYPZPDTQH-JGPRNRPPSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](F)CC)C1 1335997554 1170364815 /nfs/dbraw/zinc/36/48/15/1170364815.db2.gz NDXARAXWGNMVEL-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=CC[C@H]1CCN(C(=O)[C@H](F)CC)C1 1335997553 1170365739 /nfs/dbraw/zinc/36/57/39/1170365739.db2.gz NDXARAXWGNMVEL-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@H](F)CC)C1 1335997550 1170366187 /nfs/dbraw/zinc/36/61/87/1170366187.db2.gz NDXARAXWGNMVEL-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CC[C@H]1CCN(C(=O)[C@@H](F)CC)C1 1335997552 1170366355 /nfs/dbraw/zinc/36/63/55/1170366355.db2.gz NDXARAXWGNMVEL-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCN(C(=O)[C@H](F)CC)C(C)C 1336329277 1170370340 /nfs/dbraw/zinc/37/03/40/1170370340.db2.gz AXYLCWUEQIQTNE-SECBINFHSA-N 0 0 187.258 2.158 10 30 AEEERN C#Cc1ccc(N[C@H](C)CC)nc1 1336437272 1170371819 /nfs/dbraw/zinc/37/18/19/1170371819.db2.gz BJISNDQUZKOUBW-SECBINFHSA-N 0 0 174.247 2.273 10 30 AEEERN C=CCN(C(=O)[C@@H](F)CC)C(C)C 1336329278 1170372160 /nfs/dbraw/zinc/37/21/60/1170372160.db2.gz AXYLCWUEQIQTNE-VIFPVBQESA-N 0 0 187.258 2.158 10 30 AEEERN C#Cc1ccc(N[C@@H](C)CC)nc1 1336437302 1170372403 /nfs/dbraw/zinc/37/24/03/1170372403.db2.gz BJISNDQUZKOUBW-VIFPVBQESA-N 0 0 174.247 2.273 10 30 AEEERN C=CC(C)(C)NC(=O)C[C@H]1C=CCC1 1336626639 1170377014 /nfs/dbraw/zinc/37/70/14/1170377014.db2.gz HRTONNOVBXDOJZ-JTQLQIEISA-N 0 0 193.290 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)C[C@@H]1C=CCC1 1336626641 1170377154 /nfs/dbraw/zinc/37/71/54/1170377154.db2.gz HRTONNOVBXDOJZ-SNVBAGLBSA-N 0 0 193.290 2.424 10 30 AEEERN C#Cc1ccc(N2CCC=C(C)C2)nc1 1336621635 1170377967 /nfs/dbraw/zinc/37/79/67/1170377967.db2.gz AOLCXSAGYGOZTO-UHFFFAOYSA-N 0 0 198.269 2.219 10 30 AEEERN C=C(C)CCC(=O)NC(C)(C)C 1336907185 1170384031 /nfs/dbraw/zinc/38/40/31/1170384031.db2.gz FJDOSDDDXDCBME-UHFFFAOYSA-N 0 0 169.268 2.257 10 30 AEEERN C=CC(C)(C)NC(=O)CC1(C)CC1 1336957483 1170385133 /nfs/dbraw/zinc/38/51/33/1170385133.db2.gz ZBSMWRVTZFZFRI-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C#Cc1ccc(NCC[C@H](C)F)nc1 1337177635 1170388411 /nfs/dbraw/zinc/38/84/11/1170388411.db2.gz NZQUKQDXHHGQEY-VIFPVBQESA-N 0 0 192.237 2.223 10 30 AEEERN C=C(C)CCC(=O)NCCCCF 1337236108 1170388611 /nfs/dbraw/zinc/38/86/11/1170388611.db2.gz JSLRCPPIPSNYMU-UHFFFAOYSA-N 0 0 187.258 2.209 10 30 AEEERN C=C(C)CCC(=O)N1CC[C@@H]1C1CC1 1337255402 1170389803 /nfs/dbraw/zinc/38/98/03/1170389803.db2.gz ZRRBCTMSZVAESU-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN C#Cc1ccc(NCC[C@@H](C)F)nc1 1337177634 1170390112 /nfs/dbraw/zinc/39/01/12/1170390112.db2.gz NZQUKQDXHHGQEY-SECBINFHSA-N 0 0 192.237 2.223 10 30 AEEERN C=C(C)CCC(=O)N1CC[C@H]1C1CC1 1337255404 1170390190 /nfs/dbraw/zinc/39/01/90/1170390190.db2.gz ZRRBCTMSZVAESU-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C=C[C@H](C)Nc1ccnc(CC)n1 1337359838 1170390543 /nfs/dbraw/zinc/39/05/43/1170390543.db2.gz YTDQTQGBNYSRNJ-QMMMGPOBSA-N 0 0 177.251 2.025 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H]1CCC=CO1 1337405179 1170390732 /nfs/dbraw/zinc/39/07/32/1170390732.db2.gz WHIPEOVXKWAQIF-VHSXEESVSA-N 0 0 196.246 2.187 10 30 AEEERN C=CCSCCNc1ncc(C)o1 1337300323 1170390811 /nfs/dbraw/zinc/39/08/11/1170390811.db2.gz UXZWLFNCYLTHGO-UHFFFAOYSA-N 0 0 198.291 2.314 10 30 AEEERN C=CC1CCN(c2ncc(C)o2)CC1 1337324229 1170390970 /nfs/dbraw/zinc/39/09/70/1170390970.db2.gz RFDGYJKQMIDRRR-UHFFFAOYSA-N 0 0 192.262 2.385 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H]1CCC=CO1 1337405180 1170390991 /nfs/dbraw/zinc/39/09/91/1170390991.db2.gz WHIPEOVXKWAQIF-ZJUUUORDSA-N 0 0 196.246 2.187 10 30 AEEERN C=C(C)CNc1ccnc(CC)n1 1337405174 1170391360 /nfs/dbraw/zinc/39/13/60/1170391360.db2.gz WHDPVIDVWFGTQT-UHFFFAOYSA-N 0 0 177.251 2.027 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1oncc1C 1337295135 1170391470 /nfs/dbraw/zinc/39/14/70/1170391470.db2.gz AXADBCUCUJORAX-MRVPVSSYSA-N 0 0 195.218 2.104 10 30 AEEERN C=C(C)CN(CC)c1ncc(C)o1 1337275892 1170391737 /nfs/dbraw/zinc/39/17/37/1170391737.db2.gz SIXIULBZISNSLA-UHFFFAOYSA-N 0 0 180.251 2.385 10 30 AEEERN C=CC(C)(C)NC(=O)CCC(=C)C 1337399278 1170391786 /nfs/dbraw/zinc/39/17/86/1170391786.db2.gz DBUDPQWCNGUHSR-UHFFFAOYSA-N 0 0 181.279 2.424 10 30 AEEERN C=CCCN(C)C(=O)CCC(=C)C 1337356896 1170391878 /nfs/dbraw/zinc/39/18/78/1170391878.db2.gz GSBDXWDHWXGPCZ-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H]1CCC=CO1 1337405176 1170392089 /nfs/dbraw/zinc/39/20/89/1170392089.db2.gz WHIPEOVXKWAQIF-NXEZZACHSA-N 0 0 196.246 2.187 10 30 AEEERN C=C[C@@H](C)Nc1ccnc(CC)n1 1337359837 1170392134 /nfs/dbraw/zinc/39/21/34/1170392134.db2.gz YTDQTQGBNYSRNJ-MRVPVSSYSA-N 0 0 177.251 2.025 10 30 AEEERN C=CC[C@H](C)OC(=O)c1oncc1C 1337295138 1170392174 /nfs/dbraw/zinc/39/21/74/1170392174.db2.gz AXADBCUCUJORAX-QMMMGPOBSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1CCC=CO1 1337405177 1170392895 /nfs/dbraw/zinc/39/28/95/1170392895.db2.gz WHIPEOVXKWAQIF-UWVGGRQHSA-N 0 0 196.246 2.187 10 30 AEEERN C=CCC[C@H]1CCCN1C(=O)CCF 1337487250 1170393602 /nfs/dbraw/zinc/39/36/02/1170393602.db2.gz ATHBRHFNYZLAED-JTQLQIEISA-N 0 0 199.269 2.303 10 30 AEEERN C=CCC[C@@H]1CCCN1C(=O)CCF 1337487255 1170393894 /nfs/dbraw/zinc/39/38/94/1170393894.db2.gz ATHBRHFNYZLAED-SNVBAGLBSA-N 0 0 199.269 2.303 10 30 AEEERN C=CC(C)(C)NC(=O)c1coc(C)c1 1337542480 1170395145 /nfs/dbraw/zinc/39/51/45/1170395145.db2.gz BTNGUGULAAONPG-UHFFFAOYSA-N 0 0 193.246 2.282 10 30 AEEERN C=CCCCN(CC)C(=O)[C@@H]1C[C@@H]1F 1337742012 1170396339 /nfs/dbraw/zinc/39/63/39/1170396339.db2.gz LSBBIFSYNNFFJM-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCCN(CC)C(=O)[C@H]1C[C@@H]1F 1337741991 1170396965 /nfs/dbraw/zinc/39/69/65/1170396965.db2.gz LSBBIFSYNNFFJM-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1F 1337741989 1170397629 /nfs/dbraw/zinc/39/76/29/1170397629.db2.gz LSBBIFSYNNFFJM-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCCN(CC)C(=O)[C@H]1C[C@H]1F 1337742002 1170398557 /nfs/dbraw/zinc/39/85/57/1170398557.db2.gz LSBBIFSYNNFFJM-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=C1CCN(c2ncc(C)o2)CC1 1337772160 1170401949 /nfs/dbraw/zinc/40/19/49/1170401949.db2.gz NOYLOYFABNTTKO-UHFFFAOYSA-N 0 0 178.235 2.139 10 30 AEEERN C=C(C)CCC(=O)NCC(C)(C)F 1338080136 1170405491 /nfs/dbraw/zinc/40/54/91/1170405491.db2.gz MKEAWZSAWLMDGR-UHFFFAOYSA-N 0 0 187.258 2.207 10 30 AEEERN C#Cc1ccc(NCCCCF)nc1 1337991686 1170406552 /nfs/dbraw/zinc/40/65/52/1170406552.db2.gz HAAGCKSIPSKAAK-UHFFFAOYSA-N 0 0 192.237 2.225 10 30 AEEERN C=CCN(C(=O)[C@@H]1C[C@@H]1F)C(C)(C)C 1338213353 1170406979 /nfs/dbraw/zinc/40/69/79/1170406979.db2.gz GZAWYXOCDVQYQF-BDAKNGLRSA-N 0 0 199.269 2.158 10 30 AEEERN C=CCN(C(=O)[C@H]1C[C@H]1F)C(C)(C)C 1338213355 1170407065 /nfs/dbraw/zinc/40/70/65/1170407065.db2.gz GZAWYXOCDVQYQF-DTWKUNHWSA-N 0 0 199.269 2.158 10 30 AEEERN Cc1coc(CN(CC#N)C2CC2)c1 1338234711 1170408360 /nfs/dbraw/zinc/40/83/60/1170408360.db2.gz MRWMRAHHAFAFES-UHFFFAOYSA-N 0 0 190.246 2.076 10 30 AEEERN C=CCN(C(=O)[C@H]1C[C@@H]1F)C(C)(C)C 1338213357 1170408705 /nfs/dbraw/zinc/40/87/05/1170408705.db2.gz GZAWYXOCDVQYQF-IUCAKERBSA-N 0 0 199.269 2.158 10 30 AEEERN C=CCN(C(=O)[C@@H]1C[C@H]1F)C(C)(C)C 1338213359 1170409809 /nfs/dbraw/zinc/40/98/09/1170409809.db2.gz GZAWYXOCDVQYQF-RKDXNWHRSA-N 0 0 199.269 2.158 10 30 AEEERN C=C(C)CCC(=O)N1CCC[C@@H](F)C1 1338958993 1170412554 /nfs/dbraw/zinc/41/25/54/1170412554.db2.gz BUWCAAFMABKOMQ-SNVBAGLBSA-N 0 0 199.269 2.303 10 30 AEEERN C=C(C)CCC(=O)NC1(C)CC1 1338849675 1170413701 /nfs/dbraw/zinc/41/37/01/1170413701.db2.gz GJTLJEWENURXJW-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN C=C(C)CCC(=O)NCC[C@H](C)F 1338959011 1170413712 /nfs/dbraw/zinc/41/37/12/1170413712.db2.gz CCCGCABMPOJQKH-VIFPVBQESA-N 0 0 187.258 2.207 10 30 AEEERN C=C(C)CCC(=O)N1CCC=C(F)C1 1338935894 1170414539 /nfs/dbraw/zinc/41/45/39/1170414539.db2.gz DWQNLNOFGIDKQX-UHFFFAOYSA-N 0 0 197.253 2.428 10 30 AEEERN C=C(C)CCC(=O)N1CCC[C@H](F)C1 1338958992 1170414786 /nfs/dbraw/zinc/41/47/86/1170414786.db2.gz BUWCAAFMABKOMQ-JTQLQIEISA-N 0 0 199.269 2.303 10 30 AEEERN C=C(C)CCC(=O)NCC[C@@H](C)F 1338959010 1170414809 /nfs/dbraw/zinc/41/48/09/1170414809.db2.gz CCCGCABMPOJQKH-SECBINFHSA-N 0 0 187.258 2.207 10 30 AEEERN C=CC(C)(C)NC(=O)CC(F)(F)F 1339020346 1170416611 /nfs/dbraw/zinc/41/66/11/1170416611.db2.gz YRFRWVSPBHWDJW-UHFFFAOYSA-N 0 0 195.184 2.020 10 30 AEEERN C=CCCCC(=O)OCCOC1CC1 1339780566 1170422533 /nfs/dbraw/zinc/42/25/33/1170422533.db2.gz YQSRCMSRFGBWAN-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCCN(CC)c1nc(C)no1 1339842654 1170423285 /nfs/dbraw/zinc/42/32/85/1170423285.db2.gz IMTMNPJNWXQAKP-UHFFFAOYSA-N 0 0 195.266 2.171 10 30 AEEERN C#CCCCOC(=O)C1(CF)CCC1 1341842807 1170440187 /nfs/dbraw/zinc/44/01/87/1170440187.db2.gz XQSAUVHXPRKSPR-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@H]1CCC1(C)C 1342635358 1170449051 /nfs/dbraw/zinc/44/90/51/1170449051.db2.gz ZOMBSOUWROJIML-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)CCC1(C)CC1 1342748239 1170449095 /nfs/dbraw/zinc/44/90/95/1170449095.db2.gz AAKUNFJPVIHELV-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#CC[C@@H](C)OC(=O)c1cc(C)co1 1342725886 1170449530 /nfs/dbraw/zinc/44/95/30/1170449530.db2.gz BJIXEOVZOPAFJQ-SECBINFHSA-N 0 0 192.214 2.157 10 30 AEEERN C#CC[C@@H](C)OC(=O)C1(C2CC2)CC1 1342728044 1170449643 /nfs/dbraw/zinc/44/96/43/1170449643.db2.gz KTKSMCSGIYXJAI-SECBINFHSA-N 0 0 192.258 2.132 10 30 AEEERN C#CC[C@H](C)OC(=O)C1(C2CC2)CC1 1342728049 1170449686 /nfs/dbraw/zinc/44/96/86/1170449686.db2.gz KTKSMCSGIYXJAI-VIFPVBQESA-N 0 0 192.258 2.132 10 30 AEEERN CC#CCCCCOC(=O)CCF 1342659701 1170449726 /nfs/dbraw/zinc/44/97/26/1170449726.db2.gz GGBHAXSDCUIVEF-UHFFFAOYSA-N 0 0 186.226 2.083 10 30 AEEERN C#C[C@H](C)OC(=O)CCC1(C)CC1 1342748258 1170449825 /nfs/dbraw/zinc/44/98/25/1170449825.db2.gz AAKUNFJPVIHELV-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@H]1CCC1(C)C 1342635354 1170449840 /nfs/dbraw/zinc/44/98/40/1170449840.db2.gz ZOMBSOUWROJIML-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@@H]1CCC1(C)C 1342635355 1170449900 /nfs/dbraw/zinc/44/99/00/1170449900.db2.gz ZOMBSOUWROJIML-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@H](C)OC(=O)c1cc(C)co1 1342725889 1170449990 /nfs/dbraw/zinc/44/99/90/1170449990.db2.gz BJIXEOVZOPAFJQ-VIFPVBQESA-N 0 0 192.214 2.157 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@@H]1CCC1(C)C 1342635359 1170450332 /nfs/dbraw/zinc/45/03/32/1170450332.db2.gz ZOMBSOUWROJIML-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C=C1CCC(C(=O)OC2CC2)CC1 1342662488 1170450817 /nfs/dbraw/zinc/45/08/17/1170450817.db2.gz QSFOZGDCTVEMOM-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN C=CCN(C)Cc1nc(C)sc1C 1343046592 1170454396 /nfs/dbraw/zinc/45/43/96/1170454396.db2.gz GQYQIODPCUAKFF-UHFFFAOYSA-N 0 0 196.319 2.378 10 30 AEEERN C=CCCOC(=O)CCC(=C)C 1343014813 1170455479 /nfs/dbraw/zinc/45/54/79/1170455479.db2.gz DDAHVIWZPXYQRG-UHFFFAOYSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(C)CCC(=O)OC1CC1 1343328485 1170456488 /nfs/dbraw/zinc/45/64/88/1170456488.db2.gz RJHSEIHZNIXPHF-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C=C(C)CCC(=O)OCC(F)(F)F 1343736236 1170460968 /nfs/dbraw/zinc/46/09/68/1170460968.db2.gz GPGNXIUQJYFWTO-UHFFFAOYSA-N 0 0 196.168 2.448 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@]1(C)C=CCC1 1344388528 1170462006 /nfs/dbraw/zinc/46/20/06/1170462006.db2.gz OCKKJIKHLIKWTK-KOLCDFICSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)[C@]1(C)C=CCC1 1344388527 1170462572 /nfs/dbraw/zinc/46/25/72/1170462572.db2.gz OCKKJIKHLIKWTK-GXSJLCMTSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@]1(C)C=CCC1 1344388531 1170463218 /nfs/dbraw/zinc/46/32/18/1170463218.db2.gz OCKKJIKHLIKWTK-ONGXEEELSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@]1(C)C=CCC1 1344388530 1170463656 /nfs/dbraw/zinc/46/36/56/1170463656.db2.gz OCKKJIKHLIKWTK-MWLCHTKSSA-N 0 0 180.247 2.460 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCC[C@@H](F)C1 1344670289 1170464056 /nfs/dbraw/zinc/46/40/56/1170464056.db2.gz CDXWWSYXSZDTDN-LPEHRKFASA-N 0 0 198.237 2.080 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(CF)CCC1 1344685605 1170464261 /nfs/dbraw/zinc/46/42/61/1170464261.db2.gz IWOVJDFSDHJYDR-VIFPVBQESA-N 0 0 198.237 2.081 10 30 AEEERN CC(C)(C)ON=C[C@H]1CC1(F)F 1344437191 1170464271 /nfs/dbraw/zinc/46/42/71/1170464271.db2.gz CQIOFLRMEASNKR-ZCFIWIBFSA-N 0 0 177.194 2.443 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCC[C@@H](F)C1 1344670287 1170464825 /nfs/dbraw/zinc/46/48/25/1170464825.db2.gz CDXWWSYXSZDTDN-IVZWLZJFSA-N 0 0 198.237 2.080 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCC[C@H](F)C1 1344670284 1170464868 /nfs/dbraw/zinc/46/48/68/1170464868.db2.gz CDXWWSYXSZDTDN-AEJSXWLSSA-N 0 0 198.237 2.080 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCC[C@H](F)C1 1344670286 1170465207 /nfs/dbraw/zinc/46/52/07/1170465207.db2.gz CDXWWSYXSZDTDN-GUBZILKMSA-N 0 0 198.237 2.080 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(CF)CCC1 1344685604 1170465719 /nfs/dbraw/zinc/46/57/19/1170465719.db2.gz IWOVJDFSDHJYDR-SECBINFHSA-N 0 0 198.237 2.081 10 30 AEEERN CC(C)(C)ON=C[C@@H]1CC1(F)F 1344437183 1170465730 /nfs/dbraw/zinc/46/57/30/1170465730.db2.gz CQIOFLRMEASNKR-LURJTMIESA-N 0 0 177.194 2.443 10 30 AEEERN CC(C)=CC(=O)O[C@@H](CC#N)C1CC1 1344936011 1170466364 /nfs/dbraw/zinc/46/63/64/1170466364.db2.gz HZAPBHNDHQYITP-JTQLQIEISA-N 0 0 193.246 2.188 10 30 AEEERN C=CC(C)(C)CNC(=O)[C@@H]1CC1(C)C 1344886659 1170467447 /nfs/dbraw/zinc/46/74/47/1170467447.db2.gz SZNIVPISTHZDAL-VIFPVBQESA-N 0 0 195.306 2.361 10 30 AEEERN CC(C)=CC(=O)O[C@H](CC#N)C1CC1 1344936013 1170467452 /nfs/dbraw/zinc/46/74/52/1170467452.db2.gz HZAPBHNDHQYITP-SNVBAGLBSA-N 0 0 193.246 2.188 10 30 AEEERN C=CC(C)(C)COC(=O)[C@@H](F)CC 1345031817 1170467693 /nfs/dbraw/zinc/46/76/93/1170467693.db2.gz GHLHXNXHVPVUHP-QMMMGPOBSA-N 0 0 188.242 2.490 10 30 AEEERN C=CCC1(COC(C)=O)CCC1 1345039319 1170468116 /nfs/dbraw/zinc/46/81/16/1170468116.db2.gz OXXRXTWWXWGMSC-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=CC(C)(C)COC(=O)[C@H](F)CC 1345031816 1170468186 /nfs/dbraw/zinc/46/81/86/1170468186.db2.gz GHLHXNXHVPVUHP-MRVPVSSYSA-N 0 0 188.242 2.490 10 30 AEEERN N#CC[C@H](OC(=O)CC1CC1)C1CC1 1345546984 1170471745 /nfs/dbraw/zinc/47/17/45/1170471745.db2.gz IKRXZVACFAFVHE-JTQLQIEISA-N 0 0 193.246 2.022 10 30 AEEERN C=C(CC(C)C)C(=O)NC[C@H]1C[C@H]1C 1345622779 1170471884 /nfs/dbraw/zinc/47/18/84/1170471884.db2.gz OGLLKGOMOBPKTJ-MWLCHTKSSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC(C)C)C(=O)NC[C@H]1C[C@@H]1C 1345622777 1170472124 /nfs/dbraw/zinc/47/21/24/1170472124.db2.gz OGLLKGOMOBPKTJ-GXSJLCMTSA-N 0 0 195.306 2.361 10 30 AEEERN C=C[C@@H](C(=O)NCC)c1ccccc1 1345492551 1170472173 /nfs/dbraw/zinc/47/21/73/1170472173.db2.gz ZBKXVARNPWVTOL-LLVKDONJSA-N 0 0 189.258 2.092 10 30 AEEERN C=C[C@H](C(=O)NCC)c1ccccc1 1345492553 1170472203 /nfs/dbraw/zinc/47/22/03/1170472203.db2.gz ZBKXVARNPWVTOL-NSHDSACASA-N 0 0 189.258 2.092 10 30 AEEERN C=C(CC(C)C)C(=O)NCC1CC1 1345577727 1170472223 /nfs/dbraw/zinc/47/22/23/1170472223.db2.gz VTEDEUJIFLUEGD-UHFFFAOYSA-N 0 0 181.279 2.115 10 30 AEEERN N#CC[C@@H](OC(=O)CC1CC1)C1CC1 1345546985 1170472334 /nfs/dbraw/zinc/47/23/34/1170472334.db2.gz IKRXZVACFAFVHE-SNVBAGLBSA-N 0 0 193.246 2.022 10 30 AEEERN C=C(CC(C)C)C(=O)NC[C@@H]1C[C@H]1C 1345622778 1170472399 /nfs/dbraw/zinc/47/23/99/1170472399.db2.gz OGLLKGOMOBPKTJ-KOLCDFICSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC(C)C)C(=O)NC[C@@H]1C[C@@H]1C 1345622780 1170472922 /nfs/dbraw/zinc/47/29/22/1170472922.db2.gz OGLLKGOMOBPKTJ-ONGXEEELSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC)C(=O)N1CCCC1(C)C 1345881149 1170473887 /nfs/dbraw/zinc/47/38/87/1170473887.db2.gz CXPUGJNPIGEGRV-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN C=C(CC)C(=O)N(C)CC(C)(C)C 1345868755 1170475477 /nfs/dbraw/zinc/47/54/77/1170475477.db2.gz DGQHGAYACOTOLD-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C[C@@H](C)ON=CC1(OC)CCC1 1346128323 1170476277 /nfs/dbraw/zinc/47/62/77/1170476277.db2.gz RIWZBPPAOMMIRO-SECBINFHSA-N 0 0 183.251 2.132 10 30 AEEERN C=CCCCNC(=O)C1(CF)CCC1 1346093221 1170476447 /nfs/dbraw/zinc/47/64/47/1170476447.db2.gz AMYBDUJNNALUFT-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN CC(C)(C)ON=Cc1ccns1 1346129229 1170476990 /nfs/dbraw/zinc/47/69/90/1170476990.db2.gz ZECGVTMYVYCLBN-UHFFFAOYSA-N 0 0 184.264 2.292 10 30 AEEERN C=C[C@H](C)ON=CC1(OC)CCC1 1346128324 1170477686 /nfs/dbraw/zinc/47/76/86/1170477686.db2.gz RIWZBPPAOMMIRO-VIFPVBQESA-N 0 0 183.251 2.132 10 30 AEEERN C=C(CC)C(=O)N(CCC)C1CC1 1346373596 1170480648 /nfs/dbraw/zinc/48/06/48/1170480648.db2.gz HJHSAOWZUXUBQW-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@H]1C[C@H]1F 1346570695 1170481010 /nfs/dbraw/zinc/48/10/10/1170481010.db2.gz SSHRBXYIYNLLOB-LPEHRKFASA-N 0 0 198.237 2.080 10 30 AEEERN CC(C)c1nnc(CCCCC#N)o1 1346650887 1170481416 /nfs/dbraw/zinc/48/14/16/1170481416.db2.gz HWSXHHZLCOICMP-UHFFFAOYSA-N 0 0 193.250 2.429 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@@H]1C[C@H]1F 1346570693 1170481469 /nfs/dbraw/zinc/48/14/69/1170481469.db2.gz SSHRBXYIYNLLOB-IVZWLZJFSA-N 0 0 198.237 2.080 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@H]1C[C@@H]1F 1346570692 1170481729 /nfs/dbraw/zinc/48/17/29/1170481729.db2.gz SSHRBXYIYNLLOB-GUBZILKMSA-N 0 0 198.237 2.080 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1F 1346570680 1170481837 /nfs/dbraw/zinc/48/18/37/1170481837.db2.gz SSHRBXYIYNLLOB-AEJSXWLSSA-N 0 0 198.237 2.080 10 30 AEEERN C=C(CC)C(=O)N(C)c1cccnc1 1346494642 1170482203 /nfs/dbraw/zinc/48/22/03/1170482203.db2.gz GYKIIXUXULNJJU-UHFFFAOYSA-N 0 0 190.246 2.011 10 30 AEEERN C=C(C)CNC(=O)C(=C)CC(C)C 1346766359 1170484258 /nfs/dbraw/zinc/48/42/58/1170484258.db2.gz HTDCHIUHFXQKMX-UHFFFAOYSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCN(C)C(=O)C(=C)CC(C)C 1346768744 1170484305 /nfs/dbraw/zinc/48/43/05/1170484305.db2.gz ZISNQHRPEYDXAQ-UHFFFAOYSA-N 0 0 181.279 2.233 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC[C@H]2C[C@H]21 1346788248 1170484672 /nfs/dbraw/zinc/48/46/72/1170484672.db2.gz VVUWTAWENLBDGM-IVZWLZJFSA-N 0 0 180.247 2.152 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 1346788247 1170485317 /nfs/dbraw/zinc/48/53/17/1170485317.db2.gz VVUWTAWENLBDGM-BBBLOLIVSA-N 0 0 180.247 2.152 10 30 AEEERN C#C[C@@H](CC)NC(=O)C(=C)CC(C)C 1346882382 1170485766 /nfs/dbraw/zinc/48/57/66/1170485766.db2.gz HZMFBAFGAIJQRN-NSHDSACASA-N 0 0 193.290 2.117 10 30 AEEERN C=C(CC)C(=O)NC/C=C/C1CC1 1347014516 1170485891 /nfs/dbraw/zinc/48/58/91/1170485891.db2.gz CZMNYOHZAMNDFO-SNAWJCMRSA-N 0 0 179.263 2.035 10 30 AEEERN C=C(CC)C(=O)NC/C=C\C1CC1 1347014514 1170486243 /nfs/dbraw/zinc/48/62/43/1170486243.db2.gz CZMNYOHZAMNDFO-PLNGDYQASA-N 0 0 179.263 2.035 10 30 AEEERN C=C(CC(C)C)C(=O)NOCC1CC1 1347009821 1170486402 /nfs/dbraw/zinc/48/64/02/1170486402.db2.gz QPBVLNSIUOUGRM-UHFFFAOYSA-N 0 0 197.278 2.047 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC(C)C1 1346912431 1170486560 /nfs/dbraw/zinc/48/65/60/1170486560.db2.gz GHDAGHLOORBLCL-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC[C@@H](F)C1 1347020272 1170486570 /nfs/dbraw/zinc/48/65/70/1170486570.db2.gz CPBDQLMTNXZMMN-SNVBAGLBSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)CCC(=O)N[C@@H]1[C@H]2CCC[C@H]21 1347050530 1170486747 /nfs/dbraw/zinc/48/67/47/1170486747.db2.gz PZBFYOGSMQMTSP-IAZYJMLFSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(C)CCC(=O)N[C@H]1[C@H]2CCC[C@H]21 1347050531 1170487144 /nfs/dbraw/zinc/48/71/44/1170487144.db2.gz PZBFYOGSMQMTSP-PEGIJTEDSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC(C)(F)C1 1347018675 1170487318 /nfs/dbraw/zinc/48/73/18/1170487318.db2.gz ONOOMVIDGXIMAY-UHFFFAOYSA-N 0 0 199.269 2.159 10 30 AEEERN C#C[C@H](CC)NC(=O)C(=C)CC(C)C 1346882378 1170487369 /nfs/dbraw/zinc/48/73/69/1170487369.db2.gz HZMFBAFGAIJQRN-LLVKDONJSA-N 0 0 193.290 2.117 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 1347098402 1170488050 /nfs/dbraw/zinc/48/80/50/1170488050.db2.gz RTXABIXZHAPFRY-GARJFASQSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC(C)C)C(=O)N1C[C@H]2C[C@H]2C1 1347132380 1170488495 /nfs/dbraw/zinc/48/84/95/1170488495.db2.gz NCBLYZOBVUEIKQ-PHIMTYICSA-N 0 0 193.290 2.067 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 1347098404 1170488660 /nfs/dbraw/zinc/48/86/60/1170488660.db2.gz RTXABIXZHAPFRY-GMTAPVOTSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@H](C)OC(=O)C1(C2CC2)CC1 1347273338 1170490649 /nfs/dbraw/zinc/49/06/49/1170490649.db2.gz DLGAUJDXRLZOPI-QMMMGPOBSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@@H](CC)OC(=O)C12CC(C1)C2 1347246366 1170490696 /nfs/dbraw/zinc/49/06/96/1170490696.db2.gz QJAGBTAADZYNQP-YUCVTWSNSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(C2CC2)CC1 1347273337 1170490857 /nfs/dbraw/zinc/49/08/57/1170490857.db2.gz DLGAUJDXRLZOPI-MRVPVSSYSA-N 0 0 180.247 2.294 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(C2CC2)CC1 1347273197 1170490894 /nfs/dbraw/zinc/49/08/94/1170490894.db2.gz CSIHVVQIEGDSOI-JTQLQIEISA-N 0 0 192.258 2.132 10 30 AEEERN C=C(C)CCC(=O)N(CC)OCC 1347278204 1170490930 /nfs/dbraw/zinc/49/09/30/1170490930.db2.gz CKJPRCOKRLUBQQ-UHFFFAOYSA-N 0 0 185.267 2.143 10 30 AEEERN C=CCC[C@@H](C)OC(=O)[C@@H](C)CC#N 1347232521 1170490976 /nfs/dbraw/zinc/49/09/76/1170490976.db2.gz ZJPYQIXZXMAIHQ-VHSXEESVSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCC[C@H](C)OC(=O)[C@@H](C)CC#N 1347232520 1170490983 /nfs/dbraw/zinc/49/09/83/1170490983.db2.gz ZJPYQIXZXMAIHQ-UWVGGRQHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(CC)C(=O)N1CC(CC2CC2)C1 1347341934 1170491086 /nfs/dbraw/zinc/49/10/86/1170491086.db2.gz CNXMVQHECQZHAW-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=CCC[C@@H](C)OC(=O)[C@H](C)CC#N 1347232519 1170491300 /nfs/dbraw/zinc/49/13/00/1170491300.db2.gz ZJPYQIXZXMAIHQ-NXEZZACHSA-N 0 0 195.262 2.434 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(C2CC2)CC1 1347273199 1170491349 /nfs/dbraw/zinc/49/13/49/1170491349.db2.gz CSIHVVQIEGDSOI-SNVBAGLBSA-N 0 0 192.258 2.132 10 30 AEEERN C=CCC[C@H](C)OC(=O)[C@H](C)CC#N 1347232522 1170491572 /nfs/dbraw/zinc/49/15/72/1170491572.db2.gz ZJPYQIXZXMAIHQ-ZJUUUORDSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)CCC(=O)OCC#CCC 1347261547 1170491839 /nfs/dbraw/zinc/49/18/39/1170491839.db2.gz BYQUQXKAMNHFAK-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C=C[C@H](CC)OC(=O)C12CC(C1)C2 1347246365 1170491906 /nfs/dbraw/zinc/49/19/06/1170491906.db2.gz QJAGBTAADZYNQP-INWMGODYSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(C)CCC(=O)OCCCC(C)=O 1347379123 1170492356 /nfs/dbraw/zinc/49/23/56/1170492356.db2.gz FPMFOJHZWRWEEN-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C=C(CC)C(=O)N1OC2CCC1CC2 1347464203 1170492612 /nfs/dbraw/zinc/49/26/12/1170492612.db2.gz VLVPXNIXVMNIDE-UHFFFAOYSA-N 0 0 195.262 2.038 10 30 AEEERN C=C(CC(C)C)C(=O)Nc1cnoc1 1347554651 1170492645 /nfs/dbraw/zinc/49/26/45/1170492645.db2.gz RWAVPUMAZPELEW-UHFFFAOYSA-N 0 0 194.234 2.215 10 30 AEEERN C=C(C)CCC(=O)O[C@@H](C#N)CC 1347469930 1170493793 /nfs/dbraw/zinc/49/37/93/1170493793.db2.gz DXTAGFYMIPRBJL-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C=C(C)CCC(=O)O[C@H](C#N)CC 1347469931 1170493857 /nfs/dbraw/zinc/49/38/57/1170493857.db2.gz DXTAGFYMIPRBJL-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN C=C(CC(C)C)C(=O)NOC1CCC1 1347651364 1170494848 /nfs/dbraw/zinc/49/48/48/1170494848.db2.gz TUZXCYLEIVQZKE-UHFFFAOYSA-N 0 0 197.278 2.189 10 30 AEEERN CC[C@H](C)C(=O)O[C@@H](CC#N)C1CC1 1347938077 1170496852 /nfs/dbraw/zinc/49/68/52/1170496852.db2.gz WCFFDPFPNKMLLQ-WPRPVWTQSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](C)C(=O)O[C@@H](CC#N)C1CC1 1347938074 1170497611 /nfs/dbraw/zinc/49/76/11/1170497611.db2.gz WCFFDPFPNKMLLQ-SCZZXKLOSA-N 0 0 195.262 2.268 10 30 AEEERN N#CC[C@@H](OC(=O)C1CCC1)C1CC1 1347936915 1170497741 /nfs/dbraw/zinc/49/77/41/1170497741.db2.gz LSBLVXSNLPTDCA-SNVBAGLBSA-N 0 0 193.246 2.022 10 30 AEEERN CC[C@@H](C)C(=O)O[C@H](CC#N)C1CC1 1347938072 1170498340 /nfs/dbraw/zinc/49/83/40/1170498340.db2.gz WCFFDPFPNKMLLQ-PSASIEDQSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](C)C(=O)O[C@H](CC#N)C1CC1 1347938075 1170498363 /nfs/dbraw/zinc/49/83/63/1170498363.db2.gz WCFFDPFPNKMLLQ-WCBMZHEXSA-N 0 0 195.262 2.268 10 30 AEEERN N#CC[C@H](OC(=O)C1CCC1)C1CC1 1347936914 1170498413 /nfs/dbraw/zinc/49/84/13/1170498413.db2.gz LSBLVXSNLPTDCA-JTQLQIEISA-N 0 0 193.246 2.022 10 30 AEEERN C#Cc1ccc(N[C@H]2CC[C@@H]2C)nc1 1348170975 1170498857 /nfs/dbraw/zinc/49/88/57/1170498857.db2.gz BZPMIKUQIFXOBR-ONGXEEELSA-N 0 0 186.258 2.273 10 30 AEEERN C#Cc1ccc(N[C@@H]2CC[C@@H]2C)nc1 1348170966 1170499988 /nfs/dbraw/zinc/49/99/88/1170499988.db2.gz BZPMIKUQIFXOBR-GXSJLCMTSA-N 0 0 186.258 2.273 10 30 AEEERN C#Cc1ccc(N[C@H]2CC[C@H]2C)nc1 1348170973 1170500264 /nfs/dbraw/zinc/50/02/64/1170500264.db2.gz BZPMIKUQIFXOBR-KOLCDFICSA-N 0 0 186.258 2.273 10 30 AEEERN C#Cc1ccc(N[C@@H]2CC[C@H]2C)nc1 1348170974 1170500789 /nfs/dbraw/zinc/50/07/89/1170500789.db2.gz BZPMIKUQIFXOBR-MWLCHTKSSA-N 0 0 186.258 2.273 10 30 AEEERN C=C(CC(C)C)C(=O)N1CCCC1 1348415214 1170501466 /nfs/dbraw/zinc/50/14/66/1170501466.db2.gz FPYLUHQTHZNEMO-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C#Cc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 1348225182 1170502581 /nfs/dbraw/zinc/50/25/81/1170502581.db2.gz OXYNQVNEBICGCJ-ZSBIGDGJSA-N 0 0 198.269 2.273 10 30 AEEERN C=C=CCNC(=O)C(=C)CC(C)C 1348655693 1170503661 /nfs/dbraw/zinc/50/36/61/1170503661.db2.gz WUCSEHMFYGHBPM-UHFFFAOYSA-N 0 0 179.263 2.046 10 30 AEEERN C#CCN(CC)C(=O)C(=C)CC(C)C 1348570432 1170503720 /nfs/dbraw/zinc/50/37/20/1170503720.db2.gz MOWKHLBFISRMKB-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN C=CC1CCN(C(=O)[C@H](F)CC)CC1 1348716782 1170503834 /nfs/dbraw/zinc/50/38/34/1170503834.db2.gz CPTPVJDXZJNFOI-SNVBAGLBSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(CC(C)C)C(=O)N(C)CC1CC1 1348547939 1170503906 /nfs/dbraw/zinc/50/39/06/1170503906.db2.gz IYTBQHQXCYBISG-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(CC(C)C)C(=O)N1C[C@@H](C)[C@H]1C 1348684966 1170504098 /nfs/dbraw/zinc/50/40/98/1170504098.db2.gz NDZVAIRZRYKKTP-GHMZBOCLSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(CC(C)C)C(=O)N1C[C@H](C)[C@@H]1C 1348684968 1170504196 /nfs/dbraw/zinc/50/41/96/1170504196.db2.gz NDZVAIRZRYKKTP-QWRGUYRKSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC1CCN(C(=O)[C@@H](F)CC)CC1 1348716781 1170504202 /nfs/dbraw/zinc/50/42/02/1170504202.db2.gz CPTPVJDXZJNFOI-JTQLQIEISA-N 0 0 199.269 2.159 10 30 AEEERN C=C(CC(C)C)C(=O)N1C[C@H](C)[C@H]1C 1348684969 1170504377 /nfs/dbraw/zinc/50/43/77/1170504377.db2.gz NDZVAIRZRYKKTP-WDEREUQCSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(CC(C)C)C(=O)N1C[C@@H](C)[C@@H]1C 1348684967 1170504388 /nfs/dbraw/zinc/50/43/88/1170504388.db2.gz NDZVAIRZRYKKTP-MNOVXSKESA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)CCC(=O)N(C)CC(C)C 1348716780 1170504460 /nfs/dbraw/zinc/50/44/60/1170504460.db2.gz CPIKCVRXWWLNOF-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@@H](C)CF 1348675518 1170504664 /nfs/dbraw/zinc/50/46/64/1170504664.db2.gz YATPETZCUHNYAZ-VIFPVBQESA-N 0 0 187.258 2.063 10 30 AEEERN C=CC1CCN(C(=O)C(=C)CC)CC1 1348829011 1170505349 /nfs/dbraw/zinc/50/53/49/1170505349.db2.gz HHNZOBFHQGMGGN-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)C(=C)CC)C1 1348887733 1170505694 /nfs/dbraw/zinc/50/56/94/1170505694.db2.gz OEWKMHVLYQXEPU-LLVKDONJSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(CC)C(=O)Nc1ccns1 1348901398 1170505783 /nfs/dbraw/zinc/50/57/83/1170505783.db2.gz XCLGXUPVXUOZIV-UHFFFAOYSA-N 0 0 182.248 2.048 10 30 AEEERN C=C(CC)C(=O)NC1CC(C)(C)C1 1348879184 1170506405 /nfs/dbraw/zinc/50/64/05/1170506405.db2.gz IHKJEVWDQBBYSK-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCc1nnc([C@H]2CCCO2)o1 1348942461 1170506423 /nfs/dbraw/zinc/50/64/23/1170506423.db2.gz VFPZYUWMMGDNAV-MRVPVSSYSA-N 0 0 194.234 2.040 10 30 AEEERN C=CCCONC(=O)C(=C)CC(C)C 1348878971 1170506528 /nfs/dbraw/zinc/50/65/28/1170506528.db2.gz HHKFNTDWUDFZDA-UHFFFAOYSA-N 0 0 197.278 2.213 10 30 AEEERN C=CC[C@H]1CCN(C(=O)C(=C)CC)C1 1348887734 1170507413 /nfs/dbraw/zinc/50/74/13/1170507413.db2.gz OEWKMHVLYQXEPU-NSHDSACASA-N 0 0 193.290 2.377 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC[C@H]1C 1349147848 1170507843 /nfs/dbraw/zinc/50/78/43/1170507843.db2.gz MOGUHJRAXJHASM-SNVBAGLBSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC[C@@H]1C 1349147847 1170509751 /nfs/dbraw/zinc/50/97/51/1170509751.db2.gz MOGUHJRAXJHASM-JTQLQIEISA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCN(C)C(=O)C1(CF)CCC1 1349470054 1170511289 /nfs/dbraw/zinc/51/12/89/1170511289.db2.gz UUJWHADKDZZHOI-UHFFFAOYSA-N 0 0 199.269 2.161 10 30 AEEERN C#CCNN=C1CCC[C@H](C)CC1 1349816378 1170512935 /nfs/dbraw/zinc/51/29/35/1170512935.db2.gz BFIJJCVFUZXWRC-JTQLQIEISA-N 0 0 178.279 2.165 10 30 AEEERN C#CCNN=C1CCC[C@@H](C)CC1 1349816388 1170513290 /nfs/dbraw/zinc/51/32/90/1170513290.db2.gz BFIJJCVFUZXWRC-SNVBAGLBSA-N 0 0 178.279 2.165 10 30 AEEERN C=C(CC)C(=O)NCCC1(F)CCC1 1349845007 1170513740 /nfs/dbraw/zinc/51/37/40/1170513740.db2.gz FVOIHQXQNGBVGN-UHFFFAOYSA-N 0 0 199.269 2.351 10 30 AEEERN C=C(CC(C)C)C(=O)NOCCC 1349961214 1170515207 /nfs/dbraw/zinc/51/52/07/1170515207.db2.gz YYTZAMYOJBJXQI-UHFFFAOYSA-N 0 0 185.267 2.047 10 30 AEEERN C=C(C)CONC(=O)C(=C)CC(C)C 1349969466 1170516363 /nfs/dbraw/zinc/51/63/63/1170516363.db2.gz NWGHETFJXBCRHB-UHFFFAOYSA-N 0 0 197.278 2.213 10 30 AEEERN C[C@@H](CC#N)c1nnc(C(C)(C)C)o1 1349974685 1170516662 /nfs/dbraw/zinc/51/66/62/1170516662.db2.gz NARQLUYJYJUCCV-ZETCQYMHSA-N 0 0 193.250 2.384 10 30 AEEERN C[C@H](CC#N)c1nnc(C(C)(C)C)o1 1349974684 1170516695 /nfs/dbraw/zinc/51/66/95/1170516695.db2.gz NARQLUYJYJUCCV-SSDOTTSWSA-N 0 0 193.250 2.384 10 30 AEEERN CC(C)CCOC(=O)[C@@H](C)CC#N 1350087597 1170517132 /nfs/dbraw/zinc/51/71/32/1170517132.db2.gz ABZJVVSWIUSFKT-VIFPVBQESA-N 0 0 183.251 2.125 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@@H](CF)C1 1350385220 1170517215 /nfs/dbraw/zinc/51/72/15/1170517215.db2.gz FBBOKTRFDTWIAB-JTQLQIEISA-N 0 0 199.269 2.161 10 30 AEEERN CC/C=C/CCOC(=O)[C@H](C)CC#N 1350091207 1170517315 /nfs/dbraw/zinc/51/73/15/1170517315.db2.gz WINQJJZYCNUTMN-ORAHPGNNSA-N 0 0 195.262 2.436 10 30 AEEERN C=C(CC)C(=O)N[C@@]12CCCC[C@@H]1C2 1350145244 1170517477 /nfs/dbraw/zinc/51/74/77/1170517477.db2.gz ZGAAZAJJEPSMPJ-ZYHUDNBSSA-N 0 0 193.290 2.402 10 30 AEEERN CC/C=C\CCOC(=O)[C@H](C)CC#N 1350091209 1170517754 /nfs/dbraw/zinc/51/77/54/1170517754.db2.gz WINQJJZYCNUTMN-UMCURTJPSA-N 0 0 195.262 2.436 10 30 AEEERN CCC(CC)OC(=O)[C@@H](C)CC#N 1350088065 1170517780 /nfs/dbraw/zinc/51/77/80/1170517780.db2.gz DPCDAQAIXYUPPJ-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1CCCC12CC2 1350135489 1170518584 /nfs/dbraw/zinc/51/85/84/1170518584.db2.gz PGGKGDSDXJWTIF-SNVBAGLBSA-N 0 0 193.290 2.402 10 30 AEEERN CCC(CC)OC(=O)[C@H](C)CC#N 1350088058 1170518624 /nfs/dbraw/zinc/51/86/24/1170518624.db2.gz DPCDAQAIXYUPPJ-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@H](CF)C1 1350385222 1170518691 /nfs/dbraw/zinc/51/86/91/1170518691.db2.gz FBBOKTRFDTWIAB-SNVBAGLBSA-N 0 0 199.269 2.161 10 30 AEEERN CC(C)CCOC(=O)[C@H](C)CC#N 1350087594 1170518761 /nfs/dbraw/zinc/51/87/61/1170518761.db2.gz ABZJVVSWIUSFKT-SECBINFHSA-N 0 0 183.251 2.125 10 30 AEEERN CC/C=C/CCOC(=O)[C@@H](C)CC#N 1350091210 1170518853 /nfs/dbraw/zinc/51/88/53/1170518853.db2.gz WINQJJZYCNUTMN-YEZKRMTDSA-N 0 0 195.262 2.436 10 30 AEEERN CC/C=C\CCOC(=O)[C@@H](C)CC#N 1350091176 1170519399 /nfs/dbraw/zinc/51/93/99/1170519399.db2.gz WINQJJZYCNUTMN-LWTINBJPSA-N 0 0 195.262 2.436 10 30 AEEERN C=C(CC)C(=O)N[C@H]1CCCC12CC2 1350135488 1170519528 /nfs/dbraw/zinc/51/95/28/1170519528.db2.gz PGGKGDSDXJWTIF-JTQLQIEISA-N 0 0 193.290 2.402 10 30 AEEERN C=C(CC)C(=O)N[C@]12CCCC[C@H]1C2 1350145239 1170519671 /nfs/dbraw/zinc/51/96/71/1170519671.db2.gz ZGAAZAJJEPSMPJ-JQWIXIFHSA-N 0 0 193.290 2.402 10 30 AEEERN COC1(C=NOCC2CCC2)CCC1 1350473171 1170520983 /nfs/dbraw/zinc/52/09/83/1170520983.db2.gz ABDMRPFEQBXIEJ-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1CC=CC[C@H]1C 1350804234 1170521775 /nfs/dbraw/zinc/52/17/75/1170521775.db2.gz PUPIZVMTRRGPAN-GHMZBOCLSA-N 0 0 193.290 2.424 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@@H](C)C1 1350784589 1170522099 /nfs/dbraw/zinc/52/20/99/1170522099.db2.gz GEWPYTWXEZBPRS-SECBINFHSA-N 0 0 181.279 2.211 10 30 AEEERN C=C[C@@H](C(=O)N(C)C)c1ccccc1 1350860758 1170522368 /nfs/dbraw/zinc/52/23/68/1170522368.db2.gz BOHATSJZYAYYSZ-LLVKDONJSA-N 0 0 189.258 2.044 10 30 AEEERN C=CC(C)(C)NC(=O)C(=C)CC 1350805266 1170522422 /nfs/dbraw/zinc/52/24/22/1170522422.db2.gz XGJNGPSCRVPVTP-UHFFFAOYSA-N 0 0 167.252 2.033 10 30 AEEERN C=C(CC(C)C)C(=O)N(C)CC 1350882182 1170522994 /nfs/dbraw/zinc/52/29/94/1170522994.db2.gz RGUGFHXPTMDOSG-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@H](C)C1 1350784590 1170523428 /nfs/dbraw/zinc/52/34/28/1170523428.db2.gz GEWPYTWXEZBPRS-VIFPVBQESA-N 0 0 181.279 2.211 10 30 AEEERN C=C[C@H](C(=O)N(C)C)c1ccccc1 1350860764 1170523489 /nfs/dbraw/zinc/52/34/89/1170523489.db2.gz BOHATSJZYAYYSZ-NSHDSACASA-N 0 0 189.258 2.044 10 30 AEEERN C=C(CC)C(=O)N1CC[C@@H](C)[C@H](F)C1 1351730476 1170525630 /nfs/dbraw/zinc/52/56/30/1170525630.db2.gz BWGAJOFVCALTHR-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(CC)C(=O)N1CC[C@H](C)[C@H](F)C1 1351730478 1170526386 /nfs/dbraw/zinc/52/63/86/1170526386.db2.gz BWGAJOFVCALTHR-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(CC)C(=O)N1CC[C@H](C)[C@@H](F)C1 1351730477 1170526975 /nfs/dbraw/zinc/52/69/75/1170526975.db2.gz BWGAJOFVCALTHR-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(CC)C(=O)N1CC[C@@H](C)[C@@H](F)C1 1351730479 1170527037 /nfs/dbraw/zinc/52/70/37/1170527037.db2.gz BWGAJOFVCALTHR-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(CC(C)C)C(=O)N1CCCCO1 1351885291 1170529874 /nfs/dbraw/zinc/52/98/74/1170529874.db2.gz ANBCKDUYFLEXSC-UHFFFAOYSA-N 0 0 197.278 2.143 10 30 AEEERN C=C(CC)C(=O)NC(C)(C)C(F)F 1352149915 1170530866 /nfs/dbraw/zinc/53/08/66/1170530866.db2.gz PQMRWUFHWSIOEA-UHFFFAOYSA-N 0 0 191.221 2.113 10 30 AEEERN C=C(CC)C(=O)N1CCC12CCCC2 1352315217 1170532227 /nfs/dbraw/zinc/53/22/27/1170532227.db2.gz SSYGCIYFQDNAHT-UHFFFAOYSA-N 0 0 193.290 2.498 10 30 AEEERN C=CC[C@@H](C)OC(=O)CC1CC1 1353055955 1170534750 /nfs/dbraw/zinc/53/47/50/1170534750.db2.gz PZDHBFQDXQMGCY-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=CC[C@H](C)OC(=O)CC1CC1 1353055961 1170534778 /nfs/dbraw/zinc/53/47/78/1170534778.db2.gz PZDHBFQDXQMGCY-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCCC(=O)N[C@H]1CCCC[C@H]1F 1352959929 1170535889 /nfs/dbraw/zinc/53/58/89/1170535889.db2.gz CBKUPHUSFQUSMR-ZJUUUORDSA-N 0 0 199.269 2.350 10 30 AEEERN C=C(C)CCC(=O)N(CC)CC 1353258573 1170536976 /nfs/dbraw/zinc/53/69/76/1170536976.db2.gz AGBOFJKDBDEIQF-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cc[nH]c1 1353233660 1170537041 /nfs/dbraw/zinc/53/70/41/1170537041.db2.gz BNBHEIDXOYIZEJ-MRVPVSSYSA-N 0 0 179.219 2.136 10 30 AEEERN C=C(C)CN(C)c1ccnc(CC)n1 1353273723 1170537368 /nfs/dbraw/zinc/53/73/68/1170537368.db2.gz UKWCNXIOTLXZQH-UHFFFAOYSA-N 0 0 191.278 2.051 10 30 AEEERN C=CC(=O)NCCCC(C)(C)C=C 1353216828 1170538043 /nfs/dbraw/zinc/53/80/43/1170538043.db2.gz VOHJJCSELFSDPW-UHFFFAOYSA-N 0 0 181.279 2.281 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cc[nH]c1 1353233661 1170538386 /nfs/dbraw/zinc/53/83/86/1170538386.db2.gz BNBHEIDXOYIZEJ-QMMMGPOBSA-N 0 0 179.219 2.136 10 30 AEEERN C=CCCCCCN(C)C(=O)C=C 1353213804 1170538405 /nfs/dbraw/zinc/53/84/05/1170538405.db2.gz BVDFQKQSVYYOOH-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C=CCCC(=O)N[C@@H](C)C1(C)CC1 1353888613 1170541342 /nfs/dbraw/zinc/54/13/42/1170541342.db2.gz QCEDGVHCBIFNCO-VIFPVBQESA-N 0 0 181.279 2.257 10 30 AEEERN C=CCC[C@@H]1CCCN1C(=O)CC 1353903337 1170541375 /nfs/dbraw/zinc/54/13/75/1170541375.db2.gz CQMURLVKNQOJLI-SNVBAGLBSA-N 0 0 181.279 2.354 10 30 AEEERN C#CCCCC(=O)N[C@H](C)C1(C)CC1 1353889560 1170541893 /nfs/dbraw/zinc/54/18/93/1170541893.db2.gz XLQBVLNANZYTEL-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C=CCCC(=O)N[C@H](C)C1(C)CC1 1353888607 1170541959 /nfs/dbraw/zinc/54/19/59/1170541959.db2.gz QCEDGVHCBIFNCO-SECBINFHSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCC[C@H]1CCCN1C(=O)CC 1353903336 1170542493 /nfs/dbraw/zinc/54/24/93/1170542493.db2.gz CQMURLVKNQOJLI-JTQLQIEISA-N 0 0 181.279 2.354 10 30 AEEERN C#CCCCC(=O)N[C@@H](C)C1(C)CC1 1353889559 1170542907 /nfs/dbraw/zinc/54/29/07/1170542907.db2.gz XLQBVLNANZYTEL-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN C#C[C@@H](C)N(C)c1cc(Cl)ccn1 1354177685 1170543926 /nfs/dbraw/zinc/54/39/26/1170543926.db2.gz GNYVOHZLPUOLOR-MRVPVSSYSA-N 0 0 194.665 2.193 10 30 AEEERN C=CCCCN(CC)c1nncs1 1354040661 1170544245 /nfs/dbraw/zinc/54/42/45/1170544245.db2.gz KVOYMUMXHUHGIC-UHFFFAOYSA-N 0 0 197.307 2.331 10 30 AEEERN C#C[C@H](C)N(C)c1cc(Cl)ccn1 1354177686 1170544518 /nfs/dbraw/zinc/54/45/18/1170544518.db2.gz GNYVOHZLPUOLOR-QMMMGPOBSA-N 0 0 194.665 2.193 10 30 AEEERN C#Cc1ccc(N(C)CC(=C)C)nc1 1354150722 1170544587 /nfs/dbraw/zinc/54/45/87/1170544587.db2.gz FEIGKXVWQFATST-UHFFFAOYSA-N 0 0 186.258 2.075 10 30 AEEERN C#Cc1ccc(N2CC3CC2(C)C3)nc1 1354235615 1170546921 /nfs/dbraw/zinc/54/69/21/1170546921.db2.gz ISGQDWMERYOPJA-UHFFFAOYSA-N 0 0 198.269 2.052 10 30 AEEERN C#CCCCCC(=O)NC(C)(C)C=C 1355059484 1170549613 /nfs/dbraw/zinc/54/96/13/1170549613.db2.gz FEAYWRBZXXWCML-UHFFFAOYSA-N 0 0 193.290 2.261 10 30 AEEERN C#CCN(CC1(C#N)CC1)C(C)(C)C 1354950549 1170551673 /nfs/dbraw/zinc/55/16/73/1170551673.db2.gz JKLQMEPNPIMVLM-UHFFFAOYSA-N 0 0 190.290 2.024 10 30 AEEERN C=CCN(C)Cc1csc(C#N)c1 1355284537 1170553002 /nfs/dbraw/zinc/55/30/02/1170553002.db2.gz UYEPWKCIXHGEPH-UHFFFAOYSA-N 0 0 192.287 2.238 10 30 AEEERN C/C=C(\C)C(=O)N(CC)[C@H](C#N)CC 1355087674 1170553044 /nfs/dbraw/zinc/55/30/44/1170553044.db2.gz CWEOKPGXDSUMNV-CYNRKNSPSA-N 0 0 194.278 2.103 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H]1C[C@H]1C(C)C 1355177834 1170553072 /nfs/dbraw/zinc/55/30/72/1170553072.db2.gz CGSYSLCUGPJITE-UWVGGRQHSA-N 0 0 195.306 2.359 10 30 AEEERN C/C=C(/C)C(=O)N(CC)[C@@H](C#N)CC 1355087675 1170553085 /nfs/dbraw/zinc/55/30/85/1170553085.db2.gz CWEOKPGXDSUMNV-HYHWUIIZSA-N 0 0 194.278 2.103 10 30 AEEERN C/C=C(/C)C(=O)N(CC)[C@H](C#N)CC 1355087673 1170553090 /nfs/dbraw/zinc/55/30/90/1170553090.db2.gz CWEOKPGXDSUMNV-BSKOKIOFSA-N 0 0 194.278 2.103 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H]1C[C@@H]1C(C)C 1355177842 1170553234 /nfs/dbraw/zinc/55/32/34/1170553234.db2.gz CGSYSLCUGPJITE-ZJUUUORDSA-N 0 0 195.306 2.359 10 30 AEEERN C/C=C(\C)C(=O)N(CC)[C@@H](C#N)CC 1355087676 1170553374 /nfs/dbraw/zinc/55/33/74/1170553374.db2.gz CWEOKPGXDSUMNV-NAZIUFLLSA-N 0 0 194.278 2.103 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1C[C@@H]1C(C)C 1355177833 1170553987 /nfs/dbraw/zinc/55/39/87/1170553987.db2.gz CGSYSLCUGPJITE-NXEZZACHSA-N 0 0 195.306 2.359 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1C[C@H]1C(C)C 1355177839 1170554429 /nfs/dbraw/zinc/55/44/29/1170554429.db2.gz CGSYSLCUGPJITE-VHSXEESVSA-N 0 0 195.306 2.359 10 30 AEEERN C=CCOC(=O)C(C)(C)C(F)(F)F 1356608321 1170557972 /nfs/dbraw/zinc/55/79/72/1170557972.db2.gz YQXYUQAROOHYPD-UHFFFAOYSA-N 0 0 196.168 2.304 10 30 AEEERN C#CC[C@H](C)OC(=O)C1(C)CC=CC1 1357917836 1170561472 /nfs/dbraw/zinc/56/14/72/1170561472.db2.gz DNODAWSRIQFWFZ-JTQLQIEISA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@@H](C)OC(=O)C1(C)CC=CC1 1357917849 1170562354 /nfs/dbraw/zinc/56/23/54/1170562354.db2.gz DNODAWSRIQFWFZ-SNVBAGLBSA-N 0 0 192.258 2.298 10 30 AEEERN C=CC(C)(C)CC(=O)OC1CC1 1357729243 1170562605 /nfs/dbraw/zinc/56/26/05/1170562605.db2.gz MXAMBLUCPDLVKM-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C=CC(C)(C)C(=O)N(C)CC1CCC1 1358451662 1170563659 /nfs/dbraw/zinc/56/36/59/1170563659.db2.gz GEEDXEIWCQNGSQ-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)CCC(=O)N1CC2CC1(C)C2 1358437159 1170563808 /nfs/dbraw/zinc/56/38/08/1170563808.db2.gz NOWZYTKUNNDPOV-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=C(C)CCC(=O)N[C@H](C)C(F)F 1438848897 1170565352 /nfs/dbraw/zinc/56/53/52/1170565352.db2.gz CCLXFIDPHBTERV-SSDOTTSWSA-N 0 0 191.221 2.113 10 30 AEEERN C=C(C)CCC(=O)N[C@@H](C)C(F)F 1438848989 1170565359 /nfs/dbraw/zinc/56/53/59/1170565359.db2.gz CCLXFIDPHBTERV-ZETCQYMHSA-N 0 0 191.221 2.113 10 30 AEEERN C=C(CC)C(=O)Nc1ccccc1O 1441975619 1170567713 /nfs/dbraw/zinc/56/77/13/1170567713.db2.gz GEMHUSIURAAGNR-UHFFFAOYSA-N 0 0 191.230 2.297 10 30 AEEERN C=C(CC)C(=O)Nc1ccc(O)cc1 1445717540 1170568306 /nfs/dbraw/zinc/56/83/06/1170568306.db2.gz SVPMSBNJBTWRQM-UHFFFAOYSA-N 0 0 191.230 2.297 10 30 AEEERN C=CC(C)(C)C(=O)NCCCCC#N 1456156997 1170571344 /nfs/dbraw/zinc/57/13/44/1170571344.db2.gz KVSLYBPBSWAGOT-UHFFFAOYSA-N 0 0 194.278 2.009 10 30 AEEERN CC#CC(=O)Nc1ccc2occc2c1 1454734465 1170571611 /nfs/dbraw/zinc/57/16/11/1170571611.db2.gz LWKQUGWIMJTAIP-UHFFFAOYSA-N 0 0 199.209 2.395 10 30 AEEERN C#CC(=O)N[C@H](C)C1CCCCCC1 1457742376 1170573895 /nfs/dbraw/zinc/57/38/95/1170573895.db2.gz KZQNCPFYZYWXBU-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC(=O)Nc1ccc(C2CC2)c(C)c1 1457770951 1170574088 /nfs/dbraw/zinc/57/40/88/1170574088.db2.gz DMOMWEFDRUGCNC-UHFFFAOYSA-N 0 0 199.253 2.444 10 30 AEEERN C#Cc1ccc(NCc2c[nH]cn2)cc1 1461810111 1170581705 /nfs/dbraw/zinc/58/17/05/1170581705.db2.gz BRQSXLZYPJHMJJ-UHFFFAOYSA-N 0 0 197.241 2.003 10 30 AEEERN C=CCCC(=O)Nc1cc(F)ccn1 1461415001 1170582813 /nfs/dbraw/zinc/58/28/13/1170582813.db2.gz ZNGHYYIWJJCYOP-UHFFFAOYSA-N 0 0 194.209 2.125 10 30 AEEERN C#Cc1ccc(NC[C@@H](C)OC)cc1 1462641201 1170583486 /nfs/dbraw/zinc/58/34/86/1170583486.db2.gz FJTCUHIHESIYQD-SNVBAGLBSA-N 0 0 189.258 2.115 10 30 AEEERN C=C(C)CCC(=O)Nc1ccsn1 1462401344 1170584912 /nfs/dbraw/zinc/58/49/12/1170584912.db2.gz GVJLWCMQZFHIIN-UHFFFAOYSA-N 0 0 196.275 2.438 10 30 AEEERN C#Cc1ccc(NC[C@H](C)OC)cc1 1462641185 1170585325 /nfs/dbraw/zinc/58/53/25/1170585325.db2.gz FJTCUHIHESIYQD-JTQLQIEISA-N 0 0 189.258 2.115 10 30 AEEERN C#CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1463573446 1170585870 /nfs/dbraw/zinc/58/58/70/1170585870.db2.gz CKPFEYGGXZALSZ-NXEZZACHSA-N 0 0 195.306 2.054 10 30 AEEERN C#CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C 1463573453 1170586635 /nfs/dbraw/zinc/58/66/35/1170586635.db2.gz CKPFEYGGXZALSZ-ZJUUUORDSA-N 0 0 195.306 2.054 10 30 AEEERN C#CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1463573452 1170586662 /nfs/dbraw/zinc/58/66/62/1170586662.db2.gz CKPFEYGGXZALSZ-VHSXEESVSA-N 0 0 195.306 2.054 10 30 AEEERN C#CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C 1463573448 1170586827 /nfs/dbraw/zinc/58/68/27/1170586827.db2.gz CKPFEYGGXZALSZ-UWVGGRQHSA-N 0 0 195.306 2.054 10 30 AEEERN C=CC(C)(C)C(=O)N1CC2(CCC2)C1 1465939698 1170588418 /nfs/dbraw/zinc/58/84/18/1170588418.db2.gz YZFOMYCVOVRWNZ-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C/C=C\CC(=O)N1CC[C@H]1CC=C 1472261587 1170591293 /nfs/dbraw/zinc/59/12/93/1170591293.db2.gz NDSMPLUNMVMIFT-ISALQUGTSA-N 0 0 191.274 2.296 10 30 AEEERN C=C(C)CCC(=O)NOC(C)(C)C 1472531909 1170591346 /nfs/dbraw/zinc/59/13/46/1170591346.db2.gz AEXSTWGPGDYPIG-UHFFFAOYSA-N 0 0 185.267 2.189 10 30 AEEERN C=C/C=C/CC(=O)N1CC[C@@H]1CC=C 1472261589 1170591541 /nfs/dbraw/zinc/59/15/41/1170591541.db2.gz NDSMPLUNMVMIFT-QRGHLMKCSA-N 0 0 191.274 2.296 10 30 AEEERN C=C/C=C/CC(=O)N1CC[C@H]1CC=C 1472261588 1170591688 /nfs/dbraw/zinc/59/16/88/1170591688.db2.gz NDSMPLUNMVMIFT-MVIFTORASA-N 0 0 191.274 2.296 10 30 AEEERN C=C/C=C\CC(=O)N1CC[C@@H]1CC=C 1472261586 1170591820 /nfs/dbraw/zinc/59/18/20/1170591820.db2.gz NDSMPLUNMVMIFT-GZTOBOFZSA-N 0 0 191.274 2.296 10 30 AEEERN N#CCCNc1cc(F)ccc1C#N 1472769784 1170593342 /nfs/dbraw/zinc/59/33/42/1170593342.db2.gz PGTWJXIBOSJWCO-UHFFFAOYSA-N 0 0 189.193 2.023 10 30 AEEERN C=C(C)CCC(=O)N(O)CCCC 1472620429 1170593361 /nfs/dbraw/zinc/59/33/61/1170593361.db2.gz BGGWHZGGNLBEGG-UHFFFAOYSA-N 0 0 185.267 2.361 10 30 AEEERN C=Cc1ccc(C(=O)N2CC(=C)C2)cc1 1472597932 1170593412 /nfs/dbraw/zinc/59/34/12/1170593412.db2.gz PONPDYBUQNXJCA-UHFFFAOYSA-N 0 0 199.253 2.342 10 30 AEEERN C=CCNC(=O)Nc1csc(C)c1 1476922481 1170600331 /nfs/dbraw/zinc/60/03/31/1170600331.db2.gz TUDZYTZZSXVSEJ-UHFFFAOYSA-N 0 0 196.275 2.364 10 30 AEEERN C=CCNC(=O)NCCCCC(C)C 1477975252 1170601366 /nfs/dbraw/zinc/60/13/66/1170601366.db2.gz QKNGJBBYKAMJLH-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN C=C[C@H](C)OC(=O)C1(C)CC=CC1 1514677989 1170608562 /nfs/dbraw/zinc/60/85/62/1170608562.db2.gz QRJPMEWOFQSMCG-VIFPVBQESA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cccn1CC 1514678051 1170609077 /nfs/dbraw/zinc/60/90/77/1170609077.db2.gz QZPTYCNUSUKRRK-SECBINFHSA-N 0 0 193.246 2.239 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(C)CC=CC1 1514677987 1170609162 /nfs/dbraw/zinc/60/91/62/1170609162.db2.gz QRJPMEWOFQSMCG-SECBINFHSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)c1cccn1CC 1514678053 1170610030 /nfs/dbraw/zinc/61/00/30/1170610030.db2.gz QZPTYCNUSUKRRK-VIFPVBQESA-N 0 0 193.246 2.239 10 30 AEEERN C=C(C)CCC(=O)OCC1(C#N)CC1 1515070823 1170612742 /nfs/dbraw/zinc/61/27/42/1170612742.db2.gz DHTWXLTWJWVFIM-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN CCC#CCOC(=O)[C@@]1(C)C=CCC1 1516952895 1170614433 /nfs/dbraw/zinc/61/44/33/1170614433.db2.gz JLAJCRNWEOVDHP-LBPRGKRZSA-N 0 0 192.258 2.299 10 30 AEEERN CCC#CCOC(=O)[C@]1(C)C=CCC1 1516952877 1170614501 /nfs/dbraw/zinc/61/45/01/1170614501.db2.gz JLAJCRNWEOVDHP-GFCCVEGCSA-N 0 0 192.258 2.299 10 30 AEEERN C#CC[C@@H](C)OC(=O)C1(CF)CCC1 1516843684 1170614689 /nfs/dbraw/zinc/61/46/89/1170614689.db2.gz IPEHCOFBEIANFO-SECBINFHSA-N 0 0 198.237 2.081 10 30 AEEERN C#CC[C@H](C)OC(=O)C1(CF)CCC1 1516843685 1170614814 /nfs/dbraw/zinc/61/48/14/1170614814.db2.gz IPEHCOFBEIANFO-VIFPVBQESA-N 0 0 198.237 2.081 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@]1(C)C=CCC1 1518159099 1170615613 /nfs/dbraw/zinc/61/56/13/1170615613.db2.gz DCQWIKWNHQVOLI-PWSUYJOCSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(C)CC=CC1 1518162869 1170615974 /nfs/dbraw/zinc/61/59/74/1170615974.db2.gz ZMFXVLXZFYILBE-SNVBAGLBSA-N 0 0 192.258 2.298 10 30 AEEERN CC(C)CC(=O)O[C@H](CC#N)C1CC1 1518001412 1170616028 /nfs/dbraw/zinc/61/60/28/1170616028.db2.gz LWJVTKUVOYFINN-SNVBAGLBSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@]1(C)C=CCC1 1518159098 1170616161 /nfs/dbraw/zinc/61/61/61/1170616161.db2.gz DCQWIKWNHQVOLI-JQWIXIFHSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@]1(C)C=CCC1 1518159101 1170616410 /nfs/dbraw/zinc/61/64/10/1170616410.db2.gz DCQWIKWNHQVOLI-ZYHUDNBSSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(C)CC=CC1 1518162868 1170616575 /nfs/dbraw/zinc/61/65/75/1170616575.db2.gz ZMFXVLXZFYILBE-JTQLQIEISA-N 0 0 192.258 2.298 10 30 AEEERN C=CCCC(=O)O[C@H](CC#N)C1CC1 1518001682 1170616937 /nfs/dbraw/zinc/61/69/37/1170616937.db2.gz OVTJNTFPIZKBDZ-SNVBAGLBSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)CC(=O)O[C@@H](CC#N)C1CC1 1518001411 1170617078 /nfs/dbraw/zinc/61/70/78/1170617078.db2.gz LWJVTKUVOYFINN-JTQLQIEISA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCC(=O)O[C@@H](CC#N)C1CC1 1518001680 1170617238 /nfs/dbraw/zinc/61/72/38/1170617238.db2.gz OVTJNTFPIZKBDZ-JTQLQIEISA-N 0 0 193.246 2.188 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@]1(C)C=CCC1 1518159093 1170617278 /nfs/dbraw/zinc/61/72/78/1170617278.db2.gz DCQWIKWNHQVOLI-CMPLNLGQSA-N 0 0 192.258 2.298 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H]1[C@@H](C)C1(F)F 1518231458 1170617331 /nfs/dbraw/zinc/61/73/31/1170617331.db2.gz ASQQRGKVETYQCB-QYNIQEEDSA-N 0 0 190.189 2.005 10 30 AEEERN CC[C@@H](C#N)N(CC)C(=O)CC(C)C 1518560774 1170617850 /nfs/dbraw/zinc/61/78/50/1170617850.db2.gz CAKYXNZNAAPMPW-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@H]1C[C@H]1F 1518335602 1170618443 /nfs/dbraw/zinc/61/84/43/1170618443.db2.gz GZORGNQHVIABOX-DTWKUNHWSA-N 0 0 199.269 2.063 10 30 AEEERN C=CC(C)(C)NC(=O)CCCC 1518466137 1170618912 /nfs/dbraw/zinc/61/89/12/1170618912.db2.gz CFDVDGYLKPJNKC-UHFFFAOYSA-N 0 0 169.268 2.257 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@@H]1C[C@@H]1F 1518335600 1170618948 /nfs/dbraw/zinc/61/89/48/1170618948.db2.gz GZORGNQHVIABOX-BDAKNGLRSA-N 0 0 199.269 2.063 10 30 AEEERN CC[C@H](C#N)N(CC)C(=O)CC(C)C 1518560783 1170618969 /nfs/dbraw/zinc/61/89/69/1170618969.db2.gz CAKYXNZNAAPMPW-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN C=C(CC(C)C)C(=O)N(CC)CC 1518741915 1170619251 /nfs/dbraw/zinc/61/92/51/1170619251.db2.gz NLKRIKWCDJOIEQ-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1F 1518335604 1170619387 /nfs/dbraw/zinc/61/93/87/1170619387.db2.gz GZORGNQHVIABOX-RKDXNWHRSA-N 0 0 199.269 2.063 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@H]1C[C@@H]1F 1518335603 1170619402 /nfs/dbraw/zinc/61/94/02/1170619402.db2.gz GZORGNQHVIABOX-IUCAKERBSA-N 0 0 199.269 2.063 10 30 AEEERN C=C(CC(C)C)C(=O)N(C)CCC 1519251004 1170619424 /nfs/dbraw/zinc/61/94/24/1170619424.db2.gz QRUIUWCKHZVLEW-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(CC(C)C)C(=O)NC1(C)CC1 1519493164 1170621225 /nfs/dbraw/zinc/62/12/25/1170621225.db2.gz JXCZLCJRCLGTMC-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@H](C#N)CC 1519890594 1170621250 /nfs/dbraw/zinc/62/12/50/1170621250.db2.gz CNYXXLDTMPIQQR-JTQLQIEISA-N 0 0 194.278 2.007 10 30 AEEERN C=C(CC(C)C)C(=O)N(C)C(C)C 1520773616 1170622161 /nfs/dbraw/zinc/62/21/61/1170622161.db2.gz VIRZJLAPTNRNIL-UHFFFAOYSA-N 0 0 183.295 2.456 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@@H]1CC12CC2 1520258977 1170622375 /nfs/dbraw/zinc/62/23/75/1170622375.db2.gz XPWGKCLXGKLOCY-SNVBAGLBSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC)C(=O)NC1(C2CC2)CCC1 1520653472 1170622543 /nfs/dbraw/zinc/62/25/43/1170622543.db2.gz GKOPIBASIPDGFN-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@](C)(F)C1 1520214197 1170622678 /nfs/dbraw/zinc/62/26/78/1170622678.db2.gz ZPQCPVHTOOYRQT-NSHDSACASA-N 0 0 199.269 2.303 10 30 AEEERN C=C(CC)C(=O)NCCC(C)C 1520728963 1170622813 /nfs/dbraw/zinc/62/28/13/1170622813.db2.gz AQBYVEIPQYYURE-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 1520804449 1170622853 /nfs/dbraw/zinc/62/28/53/1170622853.db2.gz ZBSCWNYMCMWNAX-OUAUKWLOSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 1520804447 1170622859 /nfs/dbraw/zinc/62/28/59/1170622859.db2.gz ZBSCWNYMCMWNAX-GMTAPVOTSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@H]1CC12CC2 1520258976 1170622994 /nfs/dbraw/zinc/62/29/94/1170622994.db2.gz XPWGKCLXGKLOCY-JTQLQIEISA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC)C(=O)N(OCC)C(C)C 1520263667 1170623199 /nfs/dbraw/zinc/62/31/99/1170623199.db2.gz FBEIBZMVUARWNT-UHFFFAOYSA-N 0 0 185.267 2.141 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@@](C)(F)C1 1520214195 1170623329 /nfs/dbraw/zinc/62/33/29/1170623329.db2.gz ZPQCPVHTOOYRQT-LLVKDONJSA-N 0 0 199.269 2.303 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]21 1520804448 1170623473 /nfs/dbraw/zinc/62/34/73/1170623473.db2.gz ZBSCWNYMCMWNAX-HBNTYKKESA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]21 1520804446 1170623510 /nfs/dbraw/zinc/62/35/10/1170623510.db2.gz ZBSCWNYMCMWNAX-GARJFASQSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(CC(C)C)C(=O)N(C)C1CC1 1520780730 1170623619 /nfs/dbraw/zinc/62/36/19/1170623619.db2.gz PUMWXMCIYMVYQF-UHFFFAOYSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCNC(=O)N1CC[C@H]1C(C)(C)C 1521144352 1170624332 /nfs/dbraw/zinc/62/43/32/1170624332.db2.gz AFOISDXHLZXGBA-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=C(CC)C(=O)N1CCC2(CCC2)C1 1521466589 1170624423 /nfs/dbraw/zinc/62/44/23/1170624423.db2.gz GDPZRVJPXJEQDQ-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC[C@H](C)C1 1521238426 1170624490 /nfs/dbraw/zinc/62/44/90/1170624490.db2.gz YJFCAXIGXHUNIK-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCNC(=O)N1CC[C@@H]1C(C)(C)C 1521144347 1170624926 /nfs/dbraw/zinc/62/49/26/1170624926.db2.gz AFOISDXHLZXGBA-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(CC(C)C)C(=O)N(OC)C(C)C 1521260123 1170625842 /nfs/dbraw/zinc/62/58/42/1170625842.db2.gz CYKHVPVXVQYJNB-UHFFFAOYSA-N 0 0 199.294 2.387 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC[C@@H](C)C1 1521238427 1170626005 /nfs/dbraw/zinc/62/60/05/1170626005.db2.gz YJFCAXIGXHUNIK-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(CC)C(=O)N(C1CC1)C1CC1 1521752020 1170626674 /nfs/dbraw/zinc/62/66/74/1170626674.db2.gz BBOAIHCNHCIMIQ-UHFFFAOYSA-N 0 0 179.263 2.106 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC[C@H](F)C1 1521645760 1170626692 /nfs/dbraw/zinc/62/66/92/1170626692.db2.gz CPBDQLMTNXZMMN-JTQLQIEISA-N 0 0 199.269 2.159 10 30 AEEERN C#CC1(NC(=O)C(=C)CC)CCCC1 1521899261 1170627408 /nfs/dbraw/zinc/62/74/08/1170627408.db2.gz XJVMDYGWALQEKH-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@@H]1C=CCC1 1521733478 1170627436 /nfs/dbraw/zinc/62/74/36/1170627436.db2.gz VYLYDALGOZIIDY-LLVKDONJSA-N 0 0 193.290 2.424 10 30 AEEERN C=C(CC(C)C)C(=O)N[C@H]1C=CCC1 1521733479 1170627992 /nfs/dbraw/zinc/62/79/92/1170627992.db2.gz VYLYDALGOZIIDY-NSHDSACASA-N 0 0 193.290 2.424 10 30 AEEERN C=C(CC)C(=O)NCCC1CC=CC1 1522249771 1170630585 /nfs/dbraw/zinc/63/05/85/1170630585.db2.gz PPDYCBPLCBMUSX-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCOC(=O)c1cccn1CC 1524379395 1170630990 /nfs/dbraw/zinc/63/09/90/1170630990.db2.gz HXYLPXTXHRHEEQ-UHFFFAOYSA-N 0 0 193.246 2.241 10 30 AEEERN CC(C)(C)C(=O)O[C@H](CC#N)C1CC1 1526992629 1170637011 /nfs/dbraw/zinc/63/70/11/1170637011.db2.gz NNRDKJMYOJFLSF-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCN(C)C(=O)c1ccc(F)s1 1523791643 1170631927 /nfs/dbraw/zinc/63/19/27/1170631927.db2.gz AFEOSNQMACUFOM-UHFFFAOYSA-N 0 0 199.250 2.145 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@@H](C=C)CC 1524792252 1170632907 /nfs/dbraw/zinc/63/29/07/1170632907.db2.gz AGSWQXRLHNPBOI-ZJUUUORDSA-N 0 0 180.247 2.154 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@@]1(C)C=CCC1 1524898667 1170633040 /nfs/dbraw/zinc/63/30/40/1170633040.db2.gz YXVHMONWCIKXNO-JQWIXIFHSA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@]1(C)C=CCC1 1524898670 1170633567 /nfs/dbraw/zinc/63/35/67/1170633567.db2.gz YXVHMONWCIKXNO-ZYHUDNBSSA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@@H](C)OC(=O)C(C)(C)C=C 1524745965 1170633637 /nfs/dbraw/zinc/63/36/37/1170633637.db2.gz HPKHWYCGIIMTOR-SECBINFHSA-N 0 0 180.247 2.154 10 30 AEEERN C=C(C)CCC(=O)O[C@H]1C[C@@H](OC)C1 1525587593 1170633791 /nfs/dbraw/zinc/63/37/91/1170633791.db2.gz DLZCEFYWRSVUOU-AOOOYVTPSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)CCC(=O)OCC(=O)C(C)C 1525482734 1170633915 /nfs/dbraw/zinc/63/39/15/1170633915.db2.gz ABQBLTFMKHYTKG-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@@]1(C)C=CCC1 1524898669 1170634063 /nfs/dbraw/zinc/63/40/63/1170634063.db2.gz YXVHMONWCIKXNO-PWSUYJOCSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@H](C=C)CC 1524792249 1170634141 /nfs/dbraw/zinc/63/41/41/1170634141.db2.gz AGSWQXRLHNPBOI-NXEZZACHSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H](C=C)CC 1524792250 1170634180 /nfs/dbraw/zinc/63/41/80/1170634180.db2.gz AGSWQXRLHNPBOI-UWVGGRQHSA-N 0 0 180.247 2.154 10 30 AEEERN C=C(C)CCC(=O)O[C@@H]1CCCOC1 1524942083 1170634307 /nfs/dbraw/zinc/63/43/07/1170634307.db2.gz HBAVPJWPRLGVLQ-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN C#CC[C@H](C)OC(=O)C(C)(C)C=C 1524745969 1170634408 /nfs/dbraw/zinc/63/44/08/1170634408.db2.gz HPKHWYCGIIMTOR-VIFPVBQESA-N 0 0 180.247 2.154 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)CCF 1526001433 1170634388 /nfs/dbraw/zinc/63/43/88/1170634388.db2.gz UVFFHRVGRYAFHL-SECBINFHSA-N 0 0 186.226 2.081 10 30 AEEERN C#CCCC[C@H](C)OC(=O)CCF 1526001438 1170634499 /nfs/dbraw/zinc/63/44/99/1170634499.db2.gz UVFFHRVGRYAFHL-VIFPVBQESA-N 0 0 186.226 2.081 10 30 AEEERN C=C(C)CCC(=O)O[C@H]1CCCOC1 1524942079 1170634647 /nfs/dbraw/zinc/63/46/47/1170634647.db2.gz HBAVPJWPRLGVLQ-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H](C=C)CC 1524792251 1170634708 /nfs/dbraw/zinc/63/47/08/1170634708.db2.gz AGSWQXRLHNPBOI-VHSXEESVSA-N 0 0 180.247 2.154 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@]1(C)C=CCC1 1524898666 1170634751 /nfs/dbraw/zinc/63/47/51/1170634751.db2.gz YXVHMONWCIKXNO-CMPLNLGQSA-N 0 0 192.258 2.298 10 30 AEEERN CC(C)(C)C(=O)O[C@@H](CC#N)C1CC1 1526992638 1170636017 /nfs/dbraw/zinc/63/60/17/1170636017.db2.gz NNRDKJMYOJFLSF-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN C=C(C)CCC(=O)OCCOC1CC1 1526530737 1170636948 /nfs/dbraw/zinc/63/69/48/1170636948.db2.gz XXXZSNJYOQXFPE-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C=C(CC(C)C)C(=O)NC1CCC1 1528252946 1170637548 /nfs/dbraw/zinc/63/75/48/1170637548.db2.gz DBPCEADFQNOHEU-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(CC)C(=O)NC1(C2(C)CC2)CC1 1528478057 1170637779 /nfs/dbraw/zinc/63/77/79/1170637779.db2.gz XXYJJJSTCMEDQU-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN C=C(CC(C)C)C(=O)NCCC#CC 1528086653 1170637844 /nfs/dbraw/zinc/63/78/44/1170637844.db2.gz BXGNIFMJMBEKNP-UHFFFAOYSA-N 0 0 193.290 2.118 10 30 AEEERN C=C(CC(C)C)C(=O)N(CC)OCC 1528712299 1170638029 /nfs/dbraw/zinc/63/80/29/1170638029.db2.gz JSHHMJHOPAEEMW-UHFFFAOYSA-N 0 0 199.294 2.389 10 30 AEEERN C=C[C@@H](C)ONC(=O)C(=C)CC(C)C 1528517197 1170638123 /nfs/dbraw/zinc/63/81/23/1170638123.db2.gz DLKCTCOOFGCHQF-SNVBAGLBSA-N 0 0 197.278 2.211 10 30 AEEERN C=CCN(C)C(=O)N[C@H](C)C1(C)CC1 1527992426 1170638277 /nfs/dbraw/zinc/63/82/77/1170638277.db2.gz KCJDPRXGTWBARF-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCN(C)C(=O)N[C@@H](C)C1(C)CC1 1527992427 1170638700 /nfs/dbraw/zinc/63/87/00/1170638700.db2.gz KCJDPRXGTWBARF-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=C[C@H](C)ONC(=O)C(=C)CC(C)C 1528517196 1170638969 /nfs/dbraw/zinc/63/89/69/1170638969.db2.gz DLKCTCOOFGCHQF-JTQLQIEISA-N 0 0 197.278 2.211 10 30 AEEERN C=C(CC(C)C)C(=O)NC1CC=CC1 1528259426 1170639101 /nfs/dbraw/zinc/63/91/01/1170639101.db2.gz HXYMZUKWFPHOMD-UHFFFAOYSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C(=C)CC 1529188097 1170640103 /nfs/dbraw/zinc/64/01/03/1170640103.db2.gz PROJJPDHKMABML-JTQLQIEISA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C(=C)CC 1529188101 1170640518 /nfs/dbraw/zinc/64/05/18/1170640518.db2.gz PROJJPDHKMABML-SNVBAGLBSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC1(OCc2ccccc2)COC1 1529596295 1170640556 /nfs/dbraw/zinc/64/05/56/1170640556.db2.gz GEQNGODHNOPBMI-UHFFFAOYSA-N 0 0 190.242 2.158 10 30 AEEERN C#Cc1ccc(OCC2CC2)c(C#N)c1 1529596151 1170640892 /nfs/dbraw/zinc/64/08/92/1170640892.db2.gz IPFFMHNTKIRPMA-UHFFFAOYSA-N 0 0 197.237 2.328 10 30 AEEERN C=C[C@@H](C)NC(=O)c1ccc(F)s1 1535151307 1170642909 /nfs/dbraw/zinc/64/29/09/1170642909.db2.gz HEOREEDEQFPDLF-ZCFIWIBFSA-N 0 0 199.250 2.192 10 30 AEEERN C=C[C@H](C)NC(=O)c1ccc(F)s1 1535151306 1170643343 /nfs/dbraw/zinc/64/33/43/1170643343.db2.gz HEOREEDEQFPDLF-LURJTMIESA-N 0 0 199.250 2.192 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1C[C@H]1CCC 1559035345 1170654293 /nfs/dbraw/zinc/65/42/93/1170654293.db2.gz MSIBXHPCKJTGKB-NXEZZACHSA-N 0 0 199.294 2.441 10 30 AEEERN C=C1CN(c2ncnc3ccccc23)C1 1559233830 1170655285 /nfs/dbraw/zinc/65/52/85/1170655285.db2.gz IBRMBAHEKSQZKB-UHFFFAOYSA-N 0 0 197.241 2.006 10 30 AEEERN Cc1cc(N[C@@H]2C[C@H]2C)ncc1C#N 1559250013 1170655310 /nfs/dbraw/zinc/65/53/10/1170655310.db2.gz PQRSGHBEGGOFFW-PSASIEDQSA-N 0 0 187.246 2.082 10 30 AEEERN C[C@@H]1CCN1c1cc(F)ccc1C#N 1559272513 1170655451 /nfs/dbraw/zinc/65/54/51/1170655451.db2.gz CMRCOOMWFLUWNJ-MRVPVSSYSA-N 0 0 190.221 2.296 10 30 AEEERN N#CCCCCSCCC#N 1559422244 1170655479 /nfs/dbraw/zinc/65/54/79/1170655479.db2.gz CVZSIFLVEMNTEB-UHFFFAOYSA-N 0 0 168.265 2.327 10 30 AEEERN C[C@H]1CCN1c1cc(F)ccc1C#N 1559272514 1170655690 /nfs/dbraw/zinc/65/56/90/1170655690.db2.gz CMRCOOMWFLUWNJ-QMMMGPOBSA-N 0 0 190.221 2.296 10 30 AEEERN CC#CCN1CC(F)(F)CC[C@@H]1C 1560219851 1170661580 /nfs/dbraw/zinc/66/15/80/1170661580.db2.gz VVQQDNHKCLXIDV-VIFPVBQESA-N 0 0 187.233 2.129 10 30 AEEERN CC#CCN1CC(F)(F)CC[C@H]1C 1560219850 1170662935 /nfs/dbraw/zinc/66/29/35/1170662935.db2.gz VVQQDNHKCLXIDV-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN C=C/C=C\CC(=O)N(CC=C)C1CC1 1566845414 1170669968 /nfs/dbraw/zinc/66/99/68/1170669968.db2.gz CTAGUPGWHHFTJN-WAYWQWQTSA-N 0 0 191.274 2.296 10 30 AEEERN C=C/C=C/CC(=O)N(CC=C)C1CC1 1566845413 1170671120 /nfs/dbraw/zinc/67/11/20/1170671120.db2.gz CTAGUPGWHHFTJN-AATRIKPKSA-N 0 0 191.274 2.296 10 30 AEEERN C=CC(C)(C)C(=O)Nc1ccsn1 1583225643 1170766574 /nfs/dbraw/zinc/76/65/74/1170766574.db2.gz ZHTKQXMAOKOLCW-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN C=C(CC)C(=O)Nc1ccc(F)nc1 1588062118 1170768007 /nfs/dbraw/zinc/76/80/07/1170768007.db2.gz UJGAXXRSELVQQE-UHFFFAOYSA-N 0 0 194.209 2.125 10 30 AEEERN CC#CCOc1ccsc1[N+](=O)[O-] 1613792255 1170805241 /nfs/dbraw/zinc/80/52/41/1170805241.db2.gz DFJUKFCKWOZFGR-UHFFFAOYSA-N 0 0 197.215 2.058 10 30 AEEERN C=C(C)CNc1ncc(C#N)cc1F 1612278314 1170805392 /nfs/dbraw/zinc/80/53/92/1170805392.db2.gz BMAOZIUOZKYPLC-UHFFFAOYSA-N 0 0 191.209 2.080 10 30 AEEERN C=C/C=C\CC(=O)N(CC=C)CC=C 1624103402 1170832402 /nfs/dbraw/zinc/83/24/02/1170832402.db2.gz KTPMPIYWIBKJKX-FPLPWBNLSA-N 0 0 191.274 2.319 10 30 AEEERN C=C/C=C/CC(=O)NCCC(=C)C 1624588628 1170832559 /nfs/dbraw/zinc/83/25/59/1170832559.db2.gz YVTVBYOREWEBDJ-AATRIKPKSA-N 0 0 179.263 2.201 10 30 AEEERN C=CCCC(=O)Nc1ccsn1 1624939757 1170832831 /nfs/dbraw/zinc/83/28/31/1170832831.db2.gz KKOHKWGNLWFYGG-UHFFFAOYSA-N 0 0 182.248 2.048 10 30 AEEERN C=C/C=C\CC(=O)NCCC(=C)C 1624588634 1170833223 /nfs/dbraw/zinc/83/32/23/1170833223.db2.gz YVTVBYOREWEBDJ-WAYWQWQTSA-N 0 0 179.263 2.201 10 30 AEEERN C=C/C=C/CC(=O)N(CC=C)CC=C 1624103369 1170834621 /nfs/dbraw/zinc/83/46/21/1170834621.db2.gz KTPMPIYWIBKJKX-BQYQJAHWSA-N 0 0 191.274 2.319 10 30 AEEERN C=C/C=C\CC(=O)N(C)CCC=C 1625357421 1170835181 /nfs/dbraw/zinc/83/51/81/1170835181.db2.gz RBNJQHSEOMMHBZ-VURMDHGXSA-N 0 0 179.263 2.153 10 30 AEEERN C=C/C=C/CC(=O)N(C)CCC=C 1625357420 1170835855 /nfs/dbraw/zinc/83/58/55/1170835855.db2.gz RBNJQHSEOMMHBZ-SOFGYWHQSA-N 0 0 179.263 2.153 10 30 AEEERN C=C1CN(C(=O)/C=C/c2ccccc2)C1 1629145568 1170841899 /nfs/dbraw/zinc/84/18/99/1170841899.db2.gz VFTKMWNVVXCJPR-BQYQJAHWSA-N 0 0 199.253 2.098 10 30 AEEERN C=C1CN(C(=O)/C=C\c2ccccc2)C1 1629145569 1170843078 /nfs/dbraw/zinc/84/30/78/1170843078.db2.gz VFTKMWNVVXCJPR-FPLPWBNLSA-N 0 0 199.253 2.098 10 30 AEEERN C=C/C=C/CC(=O)N(C)CC(=C)C 1629824287 1170844394 /nfs/dbraw/zinc/84/43/94/1170844394.db2.gz ZSHGCOZOHDQNKU-VOTSOKGWSA-N 0 0 179.263 2.153 10 30 AEEERN C=C/C=C\CC(=O)N(C)CC(=C)C 1629824281 1170844769 /nfs/dbraw/zinc/84/47/69/1170844769.db2.gz ZSHGCOZOHDQNKU-SREVYHEPSA-N 0 0 179.263 2.153 10 30 AEEERN C=C(CC)C(=O)N1C[C@H]2CCCC[C@H]21 1632118338 1170845048 /nfs/dbraw/zinc/84/50/48/1170845048.db2.gz PYCZKSOGPAYRBY-GHMZBOCLSA-N 0 0 193.290 2.354 10 30 AEEERN C=C/C=C\CC(=O)N1CCC(=C)CC1 1632623611 1170845160 /nfs/dbraw/zinc/84/51/60/1170845160.db2.gz GLFLHNDBHJNGEC-PLNGDYQASA-N 0 0 191.274 2.297 10 30 AEEERN C=C/C=C/CC(=O)N1CCC(=C)CC1 1632623625 1170845662 /nfs/dbraw/zinc/84/56/62/1170845662.db2.gz GLFLHNDBHJNGEC-SNAWJCMRSA-N 0 0 191.274 2.297 10 30 AEEERN C=C(C)CCC(=O)N1CC2(CCC2)C1 1635913844 1170851727 /nfs/dbraw/zinc/85/17/27/1170851727.db2.gz VJWHVSJZDZRQCM-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C#C[C@@H](CCC)NC(=O)C/C=C/C=C 1635835271 1170850495 /nfs/dbraw/zinc/85/04/95/1170850495.db2.gz PHXSKTIIKKYLPO-AEZGRPFRSA-N 0 0 191.274 2.037 10 30 AEEERN C#C[C@H](CCC)NC(=O)C/C=C\C=C 1635835276 1170850615 /nfs/dbraw/zinc/85/06/15/1170850615.db2.gz PHXSKTIIKKYLPO-SKVAFPRGSA-N 0 0 191.274 2.037 10 30 AEEERN C#C[C@H](CCC)NC(=O)C/C=C/C=C 1635835279 1170850875 /nfs/dbraw/zinc/85/08/75/1170850875.db2.gz PHXSKTIIKKYLPO-WSKFYRRCSA-N 0 0 191.274 2.037 10 30 AEEERN C#C[C@@H](CCC)NC(=O)C/C=C\C=C 1635835277 1170851386 /nfs/dbraw/zinc/85/13/86/1170851386.db2.gz PHXSKTIIKKYLPO-TVRMLOFPSA-N 0 0 191.274 2.037 10 30 AEEERN C#CC(=O)N[C@@H](C)C1CCCCCC1 1638559080 1170853566 /nfs/dbraw/zinc/85/35/66/1170853566.db2.gz KZQNCPFYZYWXBU-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN Cc1cccc(C#N)c1SCC#N 1641378349 1170858176 /nfs/dbraw/zinc/85/81/76/1170858176.db2.gz RAPGIHBHWGHSIZ-UHFFFAOYSA-N 0 0 188.255 2.482 10 30 AEEERN C=CCSC1CCC1 1641145776 1170858701 /nfs/dbraw/zinc/85/87/01/1170858701.db2.gz MVMNDGLHDYBWMY-UHFFFAOYSA-N 0 0 128.240 2.458 10 30 AEEERN N#C[C@H](SCCCO)C1CCCC1 1641207921 1170859639 /nfs/dbraw/zinc/85/96/39/1170859639.db2.gz LDCAZTLILVLXBR-JTQLQIEISA-N 0 0 199.319 2.184 10 30 AEEERN N#C[C@@H](SCCCO)C1CCCC1 1641207922 1170860002 /nfs/dbraw/zinc/86/00/02/1170860002.db2.gz LDCAZTLILVLXBR-SNVBAGLBSA-N 0 0 199.319 2.184 10 30 AEEERN C#CCCNc1cc(F)ccc1C#N 1642262792 1170862361 /nfs/dbraw/zinc/86/23/61/1170862361.db2.gz PXFXBUPEQPZWKU-UHFFFAOYSA-N 0 0 188.205 2.133 10 30 AEEERN Cc1cc(NC2(C)CC2)ncc1C#N 1642746206 1170866348 /nfs/dbraw/zinc/86/63/48/1170866348.db2.gz QYUPHAJROMRBHF-UHFFFAOYSA-N 0 0 187.246 2.226 10 30 AEEERN C=C1CN(c2nc3ccccc3o2)C1 1642922402 1170866914 /nfs/dbraw/zinc/86/69/14/1170866914.db2.gz VCWVFJRUOCDMEE-UHFFFAOYSA-N 0 0 186.214 2.204 10 30 AEEERN CN(CCF)c1cc(F)ccc1C#N 1642735079 1170867906 /nfs/dbraw/zinc/86/79/06/1170867906.db2.gz QOFAUZWQQUKMCC-UHFFFAOYSA-N 0 0 196.200 2.103 10 30 AEEERN CCC#C[C@H](C)Sc1cccnn1 1643840273 1170871446 /nfs/dbraw/zinc/87/14/46/1170871446.db2.gz JEIFMGIMXJZVCN-VIFPVBQESA-N 0 0 192.287 2.371 10 30 AEEERN CCC#C[C@@H](C)Sc1cccnn1 1643840272 1170872953 /nfs/dbraw/zinc/87/29/53/1170872953.db2.gz JEIFMGIMXJZVCN-SECBINFHSA-N 0 0 192.287 2.371 10 30 AEEERN C=C(CC)C(=O)Nc1nc(C)c(C)o1 1645815057 1170880365 /nfs/dbraw/zinc/88/03/65/1170880365.db2.gz CSSUPGOILMJCIW-UHFFFAOYSA-N 0 0 194.234 2.196 10 30 AEEERN C#CCCN1CC(F)(F)CC[C@@H]1C 1648598806 1170884406 /nfs/dbraw/zinc/88/44/06/1170884406.db2.gz YMJCZEYFSPYYTQ-VIFPVBQESA-N 0 0 187.233 2.129 10 30 AEEERN CC#CC(=O)Nc1ccsc1C 1648726989 1170886761 /nfs/dbraw/zinc/88/67/61/1170886761.db2.gz QZFJJAWXFGUCLB-UHFFFAOYSA-N 0 0 179.244 2.018 10 30 AEEERN C#CCCN1CC(F)(F)CC[C@H]1C 1648598805 1170887089 /nfs/dbraw/zinc/88/70/89/1170887089.db2.gz YMJCZEYFSPYYTQ-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN CC#CC(=O)Nc1cscc1Cl 1651293748 1170889787 /nfs/dbraw/zinc/88/97/87/1170889787.db2.gz ZRRVXTYLOJTPBQ-UHFFFAOYSA-N 0 0 199.662 2.363 10 30 AEEERN C=Cc1ccc(C(=O)NCC#CC)cc1 1650914667 1170890797 /nfs/dbraw/zinc/89/07/97/1170890797.db2.gz CIBMKHYFLNZWDS-UHFFFAOYSA-N 0 0 199.253 2.083 10 30 AEEERN Cc1cc(NC2CCC2)ncc1C#N 1651126341 1170890840 /nfs/dbraw/zinc/89/08/40/1170890840.db2.gz QWKYCZASNBEWGO-UHFFFAOYSA-N 0 0 187.246 2.226 10 30 AEEERN C=CCN(C)c1cc(F)ccc1C#N 1650988661 1170891421 /nfs/dbraw/zinc/89/14/21/1170891421.db2.gz BWMRVKWPZYMLID-UHFFFAOYSA-N 0 0 190.221 2.320 10 30 AEEERN C[C@@H](CF)Nc1cc(F)ccc1C#N 1651896448 1170892282 /nfs/dbraw/zinc/89/22/82/1170892282.db2.gz HRWNCDQRXFSOST-ZETCQYMHSA-N 0 0 196.200 2.467 10 30 AEEERN C=C1CN(c2cc(F)ccc2C#N)C1 1652034817 1170892626 /nfs/dbraw/zinc/89/26/26/1170892626.db2.gz QWIYWPHSZMIRPO-UHFFFAOYSA-N 0 0 188.205 2.074 10 30 AEEERN C=C[C@H](C)Nc1ncc(C#N)cc1F 1651638821 1170892716 /nfs/dbraw/zinc/89/27/16/1170892716.db2.gz OMGMDVYUVQJBLJ-ZETCQYMHSA-N 0 0 191.209 2.079 10 30 AEEERN C=C[C@@H](C)Nc1ncc(C#N)cc1F 1651638819 1170892984 /nfs/dbraw/zinc/89/29/84/1170892984.db2.gz OMGMDVYUVQJBLJ-SSDOTTSWSA-N 0 0 191.209 2.079 10 30 AEEERN C=CCOc1ccsc1[N+](=O)[O-] 1651988989 1170893303 /nfs/dbraw/zinc/89/33/03/1170893303.db2.gz OGEXTYZCOZEKIH-UHFFFAOYSA-N 0 0 185.204 2.221 10 30 AEEERN Cc1nnc([C@@H](C)SCCC#N)o1 1652030018 1170893526 /nfs/dbraw/zinc/89/35/26/1170893526.db2.gz GCNKRJFQEXUQFB-ZCFIWIBFSA-N 0 0 197.263 2.086 10 30 AEEERN Cc1nnc([C@H](C)SCCC#N)o1 1652030017 1170893603 /nfs/dbraw/zinc/89/36/03/1170893603.db2.gz GCNKRJFQEXUQFB-LURJTMIESA-N 0 0 197.263 2.086 10 30 AEEERN C=C1CN(c2cnc3ccccc3n2)C1 1652034078 1170893646 /nfs/dbraw/zinc/89/36/46/1170893646.db2.gz BAKQEDMDRFONOD-UHFFFAOYSA-N 0 0 197.241 2.006 10 30 AEEERN CC#CCOc1cnc(Cl)c(F)c1 1652112418 1170894072 /nfs/dbraw/zinc/89/40/72/1170894072.db2.gz XABIYYRSBXYWJL-UHFFFAOYSA-N 0 0 199.612 2.276 10 30 AEEERN C=C=CCNc1cc(C#N)cc(C)n1 1651891023 1170894707 /nfs/dbraw/zinc/89/47/07/1170894707.db2.gz VDNQZIDGHUAMGX-UHFFFAOYSA-N 0 0 185.230 2.015 10 30 AEEERN C=CCCN(C)Cc1ncccc1F 1652210249 1170897182 /nfs/dbraw/zinc/89/71/82/1170897182.db2.gz SJLWFZKBNAYKEK-UHFFFAOYSA-N 0 0 194.253 2.229 10 30 AEEERN COCCS[C@H](C#N)C1CCCC1 1652683211 1170900451 /nfs/dbraw/zinc/90/04/51/1170900451.db2.gz QETXKTWTGYGSHV-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN Cc1noc([C@@H](C)SCCC#N)n1 1652879083 1170900924 /nfs/dbraw/zinc/90/09/24/1170900924.db2.gz AWUOQXGKGHWINV-ZCFIWIBFSA-N 0 0 197.263 2.086 10 30 AEEERN COCCS[C@@H](C#N)C1CCCC1 1652683210 1170902689 /nfs/dbraw/zinc/90/26/89/1170902689.db2.gz QETXKTWTGYGSHV-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN Cc1noc([C@H](C)SCCC#N)n1 1652879082 1170903130 /nfs/dbraw/zinc/90/31/30/1170903130.db2.gz AWUOQXGKGHWINV-LURJTMIESA-N 0 0 197.263 2.086 10 30 AEEERN C=C(C)CCn1cnc(CC)c1 1653083462 1170905989 /nfs/dbraw/zinc/90/59/89/1170905989.db2.gz DYYQQCNJPXBSJZ-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN N#CCN1C[C@@H](C2CC2)C[C@H]1C1CC1 1654956906 1170917993 /nfs/dbraw/zinc/91/79/93/1170917993.db2.gz XRCJRSRJCAUFDD-RYUDHWBXSA-N 0 0 190.290 2.020 10 30 AEEERN N#Cc1ccc(F)cc1NC1CC1 1654888161 1170918189 /nfs/dbraw/zinc/91/81/89/1170918189.db2.gz SGYNEYJIPLKDCT-UHFFFAOYSA-N 0 0 176.194 2.272 10 30 AEEERN Cc1cc(N2CC=CCC2)ncc1C#N 1655322464 1170920804 /nfs/dbraw/zinc/92/08/04/1170920804.db2.gz ZKOFGYSZFCERBL-UHFFFAOYSA-N 0 0 199.257 2.028 10 30 AEEERN C=CCOCSc1ccncc1 1656331605 1170922275 /nfs/dbraw/zinc/92/22/75/1170922275.db2.gz HHCCKZUHOUDGHQ-UHFFFAOYSA-N 0 0 181.260 2.334 10 30 AEEERN CC12CC(CSCCC#N)(CO1)C2 1656618884 1170925014 /nfs/dbraw/zinc/92/50/14/1170925014.db2.gz CLZPODLZLXJJID-UHFFFAOYSA-N 0 0 197.303 2.202 10 30 AEEERN C#Cc1ccc(NCc2cc[nH]n2)cc1 1657104687 1170925482 /nfs/dbraw/zinc/92/54/82/1170925482.db2.gz ZPQRNCAMKBJPLM-UHFFFAOYSA-N 0 0 197.241 2.003 10 30 AEEERN C#Cc1ccc(NCc2ncc[nH]2)cc1 1657104258 1170925774 /nfs/dbraw/zinc/92/57/74/1170925774.db2.gz SWSLQZQBHKPKPU-UHFFFAOYSA-N 0 0 197.241 2.003 10 30 AEEERN C#Cc1ccc(NCc2ccon2)cc1 1658122443 1170928385 /nfs/dbraw/zinc/92/83/85/1170928385.db2.gz FUHBYDOAYCFOOM-UHFFFAOYSA-N 0 0 198.225 2.268 10 30 AEEERN C#CCN(C)Cc1cscc1Cl 1660819371 1170946810 /nfs/dbraw/zinc/94/68/10/1170946810.db2.gz HSRKYELGCDEBEV-UHFFFAOYSA-N 0 0 199.706 2.467 10 30 AEEERN C#CCN(C)Cc1ccc(SC)o1 1660819845 1170947049 /nfs/dbraw/zinc/94/70/49/1170947049.db2.gz ZKSOZVPIOKIIAX-UHFFFAOYSA-N 0 0 195.287 2.067 10 30 AEEERN C=CCC[C@@H]1CCCN1C(=O)N(C)C 1664619340 1170949764 /nfs/dbraw/zinc/94/97/64/1170949764.db2.gz AXEKRHJVOJPVCS-SNVBAGLBSA-N 0 0 196.294 2.099 10 30 AEEERN C=CCC[C@H]1CCCN1C(=O)N(C)C 1664619339 1170951176 /nfs/dbraw/zinc/95/11/76/1170951176.db2.gz AXEKRHJVOJPVCS-JTQLQIEISA-N 0 0 196.294 2.099 10 30 AEEERN C=C1CN(C(=O)Nc2ccccc2)C1 1665701586 1170952269 /nfs/dbraw/zinc/95/22/69/1170952269.db2.gz YSPLJSRCKFIGFS-UHFFFAOYSA-N 0 0 188.230 2.090 10 30 AEEERN C=C1CN(C(=O)Nc2ccsc2)C1 1669897964 1170956795 /nfs/dbraw/zinc/95/67/95/1170956795.db2.gz XQPUFZOPBPKJJL-UHFFFAOYSA-N 0 0 194.259 2.152 10 30 AEEERN C=C(C)c1cccc(NC(=O)NC)c1 1673600299 1170956184 /nfs/dbraw/zinc/95/61/84/1170956184.db2.gz BUIOQZOCGJUCSG-UHFFFAOYSA-N 0 0 190.246 2.471 10 30 AEEERN C=C1CN(C(=O)N[C@H](C)CC(C)C)C1 1670840494 1170957489 /nfs/dbraw/zinc/95/74/89/1170957489.db2.gz CKGMBYCNTLNVCF-SNVBAGLBSA-N 0 0 196.294 2.002 10 30 AEEERN C=C1CN(C(=O)N[C@@H](C)CC(C)C)C1 1670840492 1170958128 /nfs/dbraw/zinc/95/81/28/1170958128.db2.gz CKGMBYCNTLNVCF-JTQLQIEISA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)Nc1ccsc1C 1673726819 1170959299 /nfs/dbraw/zinc/95/92/99/1170959299.db2.gz RTUIHAGQACIYFC-UHFFFAOYSA-N 0 0 196.275 2.364 10 30 AEEERN C=Cc1cc(C)c([N+](=O)[O-])cc1C#N 1690107357 1170962435 /nfs/dbraw/zinc/96/24/35/1170962435.db2.gz YISIKXDAKXEBFG-UHFFFAOYSA-N 0 0 188.186 2.418 10 30 AEEERN C=CCCSc1ccc(N)nc1 70592731 571673400 /nfs/dbraw/zinc/67/34/00/571673400.db2.gz COFQTDOHURWGOW-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=CCCSc1ncccc1N 70592727 571673435 /nfs/dbraw/zinc/67/34/35/571673435.db2.gz UURAWMOLGPHWLV-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=CCCCC(=O)c1cnccn1 70593478 571675676 /nfs/dbraw/zinc/67/56/76/571675676.db2.gz AAGOLGQWDGPSQP-UHFFFAOYSA-N 0 0 176.219 2.016 10 30 AEEERN CC/C=C1\C=CC(=O)CC1 138742010 571672331 /nfs/dbraw/zinc/67/23/31/571672331.db2.gz WCJSDDLCJBVPKY-FPYGCLRLSA-N 0 0 136.194 2.242 10 30 AEEERN C=CCCC(=O)c1c(C)nn(C)c1C 160434862 571672420 /nfs/dbraw/zinc/67/24/20/571672420.db2.gz VIXBBTXLKNMUFT-UHFFFAOYSA-N 0 0 192.262 2.186 10 30 AEEERN CC(=O)/C(N)=C/C=C\c1ccccc1 213808234 571672556 /nfs/dbraw/zinc/67/25/56/571672556.db2.gz YXRPRNXUVXVENL-CVNCVQKXSA-N 0 0 187.242 2.131 10 30 AEEERN CC=CC(=O)C=CC(C)C 213821329 571672529 /nfs/dbraw/zinc/67/25/29/571672529.db2.gz CDLNZZBYLNYUDV-PLNGDYQASA-N 0 0 138.210 2.488 10 30 AEEERN C=C[C@]1(O)C=CC(C)(C)CC1 725355891 571672655 /nfs/dbraw/zinc/67/26/55/571672655.db2.gz QWFNQXJLKJWKAV-JTQLQIEISA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](/C=C\C)NCc1ccco1 225041933 571672712 /nfs/dbraw/zinc/67/27/12/571672712.db2.gz ZDTJAMWDSJSVIM-XICOKMJESA-N 0 0 177.247 2.500 10 30 AEEERN C=CCCCC(=O)C[C@H]1CCCO1 70593461 571673180 /nfs/dbraw/zinc/67/31/80/571673180.db2.gz IAYKGZLZVKYUDL-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCCCC(=O)C[C@@H]1CCCO1 70593460 571673212 /nfs/dbraw/zinc/67/32/12/571673212.db2.gz IAYKGZLZVKYUDL-NSHDSACASA-N 0 0 182.263 2.481 10 30 AEEERN CCCC(=O)/C=C(\C)n1ccnc1 225001219 571673344 /nfs/dbraw/zinc/67/33/44/571673344.db2.gz KBMKESHBSUKOTH-VQHVLOKHSA-N 0 0 178.235 2.113 10 30 AEEERN C=CCCC[NH2+][C@H](CC(C)C)C(=O)[O-] 70593090 571673504 /nfs/dbraw/zinc/67/35/04/571673504.db2.gz YQSJARRIVLATRP-SNVBAGLBSA-N 0 0 199.294 2.042 10 30 AEEERN C=CCCC(=O)c1ccccn1 70593440 571673765 /nfs/dbraw/zinc/67/37/65/571673765.db2.gz BFMCJGKHMJACTO-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C=C[C@H]1COc2ccccc2O1 116539928 571673796 /nfs/dbraw/zinc/67/37/96/571673796.db2.gz ZUKWSWFYIBXDMP-QMMMGPOBSA-N 0 0 162.188 2.012 10 30 AEEERN C[C@]1(CC2(C=O)CC2)CC1(F)F 689306871 571673864 /nfs/dbraw/zinc/67/38/64/571673864.db2.gz WGMFSXPYTGMMTP-ZETCQYMHSA-N 0 0 174.190 2.401 10 30 AEEERN C=CCCSc1ccc(N)cn1 70592729 571673889 /nfs/dbraw/zinc/67/38/89/571673889.db2.gz UPOAZNJXSMXHPR-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=CCC[N@@H+](CCCC(=O)[O-])C(C)C 70593050 571673894 /nfs/dbraw/zinc/67/38/94/571673894.db2.gz MWCUOJNERYIMEH-UHFFFAOYSA-N 0 0 199.294 2.138 10 30 AEEERN C=CCCC[NH2+][C@@H](CC(C)C)C(=O)[O-] 70593089 571673954 /nfs/dbraw/zinc/67/39/54/571673954.db2.gz YQSJARRIVLATRP-JTQLQIEISA-N 0 0 199.294 2.042 10 30 AEEERN C=CCCOc1ccc(C)cc1CO 70592861 571673989 /nfs/dbraw/zinc/67/39/89/571673989.db2.gz XQVHFWXWRUSOFM-UHFFFAOYSA-N 0 0 192.258 2.442 10 30 AEEERN C=CCCC[N@@H+](CC)[C@@H](C)CC(=O)[O-] 70593139 571674037 /nfs/dbraw/zinc/67/40/37/571674037.db2.gz ZVVVKLLDYLRCTP-JTQLQIEISA-N 0 0 199.294 2.138 10 30 AEEERN C=CCCCSC(C)=O 224835816 571674047 /nfs/dbraw/zinc/67/40/47/571674047.db2.gz LSMFGULWDBUPBS-UHFFFAOYSA-N 0 0 144.239 2.232 10 30 AEEERN CC(C)(C)C#CC[C@@H]1CSC[C@@H]1O 300736863 571674102 /nfs/dbraw/zinc/67/41/02/571674102.db2.gz HLAFCUHYCNFSRO-ZJUUUORDSA-N 0 0 198.331 2.150 10 30 AEEERN C/C=C/COCCCCC#N 51173888 571674240 /nfs/dbraw/zinc/67/42/40/571674240.db2.gz NJCQBLMCMBOCKF-NSCUHMNNSA-N 0 0 153.225 2.273 10 30 AEEERN C=CCCC(=O)c1cccnc1 70593442 571674272 /nfs/dbraw/zinc/67/42/72/571674272.db2.gz ISHDKSYPOUNCOK-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C[C@@]1(CC2(C=O)CC2)CC1(F)F 689306868 571674391 /nfs/dbraw/zinc/67/43/91/571674391.db2.gz WGMFSXPYTGMMTP-SSDOTTSWSA-N 0 0 174.190 2.401 10 30 AEEERN C=C[C@H](C)C[C@](C)(C=C)CO 213823207 571674563 /nfs/dbraw/zinc/67/45/63/571674563.db2.gz JIEXNUZQUKLWQQ-UWVGGRQHSA-N 0 0 154.253 2.383 10 30 AEEERN C=CCCCN(CC#N)CCC 70592549 571674658 /nfs/dbraw/zinc/67/46/58/571674658.db2.gz OBGDHQUNSBIVRC-UHFFFAOYSA-N 0 0 166.268 2.188 10 30 AEEERN C=CCCC(=O)C[C@H]1CCCO1 70593459 571674860 /nfs/dbraw/zinc/67/48/60/571674860.db2.gz MBUKCKPCDFHUAL-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C=CCCC[N@@H+](CC)[C@H](C)CC(=O)[O-] 70593140 571674866 /nfs/dbraw/zinc/67/48/66/571674866.db2.gz ZVVVKLLDYLRCTP-SNVBAGLBSA-N 0 0 199.294 2.138 10 30 AEEERN C=C[C@@H](C)C[C@@](C)(C=C)CO 213823266 571674880 /nfs/dbraw/zinc/67/48/80/571674880.db2.gz JIEXNUZQUKLWQQ-NXEZZACHSA-N 0 0 154.253 2.383 10 30 AEEERN C=CCCCn1nc(C)c(C=O)c1C 70593406 571675198 /nfs/dbraw/zinc/67/51/98/571675198.db2.gz QFKDOMATRSQQRC-UHFFFAOYSA-N 0 0 192.262 2.279 10 30 AEEERN C=CCC[N@H+](CCC(=O)[O-])C(C)(C)C 70593054 571675256 /nfs/dbraw/zinc/67/52/56/571675256.db2.gz YOUHLUDLTXOWIX-UHFFFAOYSA-N 0 0 199.294 2.138 10 30 AEEERN C=C[C@@H](C)C[C@](C)(C=C)CO 213823155 571675353 /nfs/dbraw/zinc/67/53/53/571675353.db2.gz JIEXNUZQUKLWQQ-ZJUUUORDSA-N 0 0 154.253 2.383 10 30 AEEERN C=CCCCC(=O)COCCC 70593520 571675426 /nfs/dbraw/zinc/67/54/26/571675426.db2.gz NHHLXASLAWUTRB-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C=CCCC(=O)c1ccncc1 70593444 571675688 /nfs/dbraw/zinc/67/56/88/571675688.db2.gz CIWVJFRKXHDTRC-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C=CCCCC(=O)c1ncccn1 70593480 571675476 /nfs/dbraw/zinc/67/54/76/571675476.db2.gz AZNXAMHKSFCQSP-UHFFFAOYSA-N 0 0 176.219 2.016 10 30 AEEERN C=C[C@H](C)C[C@@](C)(C=C)CO 213823314 571675819 /nfs/dbraw/zinc/67/58/19/571675819.db2.gz JIEXNUZQUKLWQQ-VHSXEESVSA-N 0 0 154.253 2.383 10 30 AEEERN C=CCC[C@@H](O)Cc1csc(C)n1 70593897 571676142 /nfs/dbraw/zinc/67/61/42/571676142.db2.gz VPRRPAVOJWCVGU-SNVBAGLBSA-N 0 0 197.303 2.321 10 30 AEEERN C=CCCC[C@H](O)C(F)(F)F 70593911 571676172 /nfs/dbraw/zinc/67/61/72/571676172.db2.gz XRJQTZTXSBLNLI-LURJTMIESA-N 0 0 168.158 2.266 10 30 AEEERN C=CCCC[C@@H](O)COCCC 70593825 571676331 /nfs/dbraw/zinc/67/63/31/571676331.db2.gz YPMSCJGYEUEORY-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN C=CCCC[C@H](O)COCCC 70593826 571676221 /nfs/dbraw/zinc/67/62/21/571676221.db2.gz YPMSCJGYEUEORY-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN C=CCCC[C@@H](O)c1cccnc1 70593668 571676224 /nfs/dbraw/zinc/67/62/24/571676224.db2.gz QNQMVXIMJCIUIT-LLVKDONJSA-N 0 0 177.247 2.471 10 30 AEEERN C=CCC[C@@H](O)c1ncccc1C 70593815 571676256 /nfs/dbraw/zinc/67/62/56/571676256.db2.gz YNPFOADXVKGLRS-SNVBAGLBSA-N 0 0 177.247 2.390 10 30 AEEERN C=CCCC[C@@H](O)C[C@H]1CCCO1 70593698 571676266 /nfs/dbraw/zinc/67/62/66/571676266.db2.gz SMYYCAMSPJGECN-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN C=CCC[C@@H](O)c1cc(C)ccn1 70593977 571676284 /nfs/dbraw/zinc/67/62/84/571676284.db2.gz PFKGXQTUTFKQSO-LLVKDONJSA-N 0 0 177.247 2.390 10 30 AEEERN C=CCCC[C@@H](O)Cc1ccncc1 70593870 571676403 /nfs/dbraw/zinc/67/64/03/571676403.db2.gz CIRUFGCONVJCBK-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=CCC[C@H](O)Cc1csc(C)n1 70593898 571676417 /nfs/dbraw/zinc/67/64/17/571676417.db2.gz VPRRPAVOJWCVGU-JTQLQIEISA-N 0 0 197.303 2.321 10 30 AEEERN C=CCCC(=O)Cc1ccncc1 70593545 571676453 /nfs/dbraw/zinc/67/64/53/571676453.db2.gz PDWBFYDXJSLOHW-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN C=CCCCC(=O)C(F)(F)F 70593568 571676461 /nfs/dbraw/zinc/67/64/61/571676461.db2.gz CATBFCFVSDCHHK-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN C=CCC[C@@H](O)CC(F)(F)F 70593776 571676477 /nfs/dbraw/zinc/67/64/77/571676477.db2.gz JFILMHCZLNOLLU-ZCFIWIBFSA-N 0 0 168.158 2.266 10 30 AEEERN C=CCC[C@H](O)Cc1nc(C)cs1 70593892 571676480 /nfs/dbraw/zinc/67/64/80/571676480.db2.gz WFJGNGNZDPLHIB-VIFPVBQESA-N 0 0 197.303 2.321 10 30 AEEERN Cc1ccc([C@@H](C)NC[C@@H](C)C#N)o1 37980919 571676712 /nfs/dbraw/zinc/67/67/12/571676712.db2.gz AMOHLSHNOZVEKA-WCBMZHEXSA-N 0 0 192.262 2.398 10 30 AEEERN C=CCC[C@H](O)c1cccc(C)n1 70593962 571676586 /nfs/dbraw/zinc/67/65/86/571676586.db2.gz WSKPXQROZZVLCY-NSHDSACASA-N 0 0 177.247 2.390 10 30 AEEERN C=CCCC[C@@H](O)c1ccncc1 70593670 571676621 /nfs/dbraw/zinc/67/66/21/571676621.db2.gz KDWINJDGUHUPCF-LLVKDONJSA-N 0 0 177.247 2.471 10 30 AEEERN C=CCCC[C@H](O)c1ccncc1 70593669 571676663 /nfs/dbraw/zinc/67/66/63/571676663.db2.gz KDWINJDGUHUPCF-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN C=CCCCC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 70593611 571676690 /nfs/dbraw/zinc/67/66/90/571676690.db2.gz JWCNKITZYPTBLR-FOGDFJRCSA-N 0 0 194.274 2.479 10 30 AEEERN C=CCCC[C@@H](O)C[C@@H]1CCCO1 70593696 571676752 /nfs/dbraw/zinc/67/67/52/571676752.db2.gz SMYYCAMSPJGECN-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN C=CCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 70593610 571676764 /nfs/dbraw/zinc/67/67/64/571676764.db2.gz JWCNKITZYPTBLR-SCVCMEIPSA-N 0 0 194.274 2.479 10 30 AEEERN C=CCC[C@H](O)CC(F)(F)F 70593775 571676777 /nfs/dbraw/zinc/67/67/77/571676777.db2.gz JFILMHCZLNOLLU-LURJTMIESA-N 0 0 168.158 2.266 10 30 AEEERN CC(C)(F)CCn1nccc1CC#N 213860442 571676889 /nfs/dbraw/zinc/67/68/89/571676889.db2.gz AYWISROKJBQCLN-UHFFFAOYSA-N 0 0 195.241 2.087 10 30 AEEERN O=C[C@@H](CF)Cc1ccccc1 213886646 571677341 /nfs/dbraw/zinc/67/73/41/571677341.db2.gz ATURHVRSCSVYTO-SNVBAGLBSA-N 0 0 166.195 2.014 10 30 AEEERN C=CCC[C@@H](O)COc1ccccc1 70593880 571676901 /nfs/dbraw/zinc/67/69/01/571676901.db2.gz ZZKYVKVHGSNPAG-LLVKDONJSA-N 0 0 192.258 2.393 10 30 AEEERN C=CCCCC(=O)c1ccncn1 70593605 571676923 /nfs/dbraw/zinc/67/69/23/571676923.db2.gz IHZJIBLKXCFMKJ-UHFFFAOYSA-N 0 0 176.219 2.016 10 30 AEEERN C=CCCC[C@H](O)C[C@H]1CCCO1 70593697 571676983 /nfs/dbraw/zinc/67/69/83/571676983.db2.gz SMYYCAMSPJGECN-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN C=CCCC[C@@H](O)Cc1ccccn1 70593710 571677093 /nfs/dbraw/zinc/67/70/93/571677093.db2.gz KUXPTMWCUYMGBO-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=CCCC[C@H](O)C[C@@H]1CCCO1 70593695 571677129 /nfs/dbraw/zinc/67/71/29/571677129.db2.gz SMYYCAMSPJGECN-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN C=CCC[C@H](O)c1ncccc1C 70593816 571677161 /nfs/dbraw/zinc/67/71/61/571677161.db2.gz YNPFOADXVKGLRS-JTQLQIEISA-N 0 0 177.247 2.390 10 30 AEEERN C=CCCC[C@H](O)c1cccnc1 70593667 571677318 /nfs/dbraw/zinc/67/73/18/571677318.db2.gz QNQMVXIMJCIUIT-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN C=CCC[C@H](O)COc1ccccc1 70593879 571677400 /nfs/dbraw/zinc/67/74/00/571677400.db2.gz ZZKYVKVHGSNPAG-NSHDSACASA-N 0 0 192.258 2.393 10 30 AEEERN C=CCC[C@H](O)c1cc(C)ccn1 70593978 571677459 /nfs/dbraw/zinc/67/74/59/571677459.db2.gz PFKGXQTUTFKQSO-NSHDSACASA-N 0 0 177.247 2.390 10 30 AEEERN C=CCCC[C@H](O)Cc1ccncc1 70593869 571677558 /nfs/dbraw/zinc/67/75/58/571677558.db2.gz CIRUFGCONVJCBK-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN C=CCCC[C@H](O)Cc1ccccn1 70593709 571677637 /nfs/dbraw/zinc/67/76/37/571677637.db2.gz KUXPTMWCUYMGBO-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN C=CCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 70593608 571677657 /nfs/dbraw/zinc/67/76/57/571677657.db2.gz KIOYHDFBUPYJCV-YWVKMMECSA-N 0 0 180.247 2.089 10 30 AEEERN C=CCC[C@@H](O)Cc1nc(C)cs1 70593891 571677885 /nfs/dbraw/zinc/67/78/85/571677885.db2.gz WFJGNGNZDPLHIB-SECBINFHSA-N 0 0 197.303 2.321 10 30 AEEERN C[C@H]1CC[C@@H](OC[C@@H]2CO2)C[C@@H]1C 84836984 571677728 /nfs/dbraw/zinc/67/77/28/571677728.db2.gz NPRHKOXHAKIGOY-UKKRHICBSA-N 0 0 184.279 2.227 10 30 AEEERN C=CCCC[C@@H](O)C(F)(F)F 70593912 571677779 /nfs/dbraw/zinc/67/77/79/571677779.db2.gz XRJQTZTXSBLNLI-ZCFIWIBFSA-N 0 0 168.158 2.266 10 30 AEEERN C=CCCC[C@@H](O)Cc1cccnc1 70593866 571677829 /nfs/dbraw/zinc/67/78/29/571677829.db2.gz RUNCUOQQOVVLOI-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=CCCC(=O)Cc1cccnc1 70593543 571677895 /nfs/dbraw/zinc/67/78/95/571677895.db2.gz OBBWBTFLSDLCRK-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN C=CCCC[C@H](O)Cc1cccnc1 70593865 571677973 /nfs/dbraw/zinc/67/79/73/571677973.db2.gz RUNCUOQQOVVLOI-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN COC(=O)/C=C/C=C/C#C/C=C\Cl 213886764 571677976 /nfs/dbraw/zinc/67/79/76/571677976.db2.gz KBOLPNPWXVVRJX-MOVSYZGBSA-N 0 0 196.633 2.028 10 30 AEEERN C=CCCC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 70593609 571678021 /nfs/dbraw/zinc/67/80/21/571678021.db2.gz KIOYHDFBUPYJCV-KKZNHRDASA-N 0 0 180.247 2.089 10 30 AEEERN C=CCC[C@@H](O)c1cccc(C)n1 70593961 571678062 /nfs/dbraw/zinc/67/80/62/571678062.db2.gz WSKPXQROZZVLCY-LLVKDONJSA-N 0 0 177.247 2.390 10 30 AEEERN C=C(OC)[C@H](O)CCCCC 213859984 571678330 /nfs/dbraw/zinc/67/83/30/571678330.db2.gz AOEBIEBBZLXFNE-SECBINFHSA-N 0 0 158.241 2.088 10 30 AEEERN C[C@H]1CC[C@H](OC[C@@H]2CO2)C[C@@H]1C 84836982 571678482 /nfs/dbraw/zinc/67/84/82/571678482.db2.gz NPRHKOXHAKIGOY-XWLWVQCSSA-N 0 0 184.279 2.227 10 30 AEEERN C=C(C(=O)CC)[C@@H](O)c1ccccc1 34568201 571678725 /nfs/dbraw/zinc/67/87/25/571678725.db2.gz PXOOQBNEPVYSLK-GFCCVEGCSA-N 0 0 190.242 2.255 10 30 AEEERN COC(=O)/C=C/C=C\C#C/C=C\Cl 213886659 571678785 /nfs/dbraw/zinc/67/87/85/571678785.db2.gz KBOLPNPWXVVRJX-LJOAQRKISA-N 0 0 196.633 2.028 10 30 AEEERN C=C(OC)[C@@H](O)CCCCC 213859930 571679005 /nfs/dbraw/zinc/67/90/05/571679005.db2.gz AOEBIEBBZLXFNE-VIFPVBQESA-N 0 0 158.241 2.088 10 30 AEEERN CC(C)(F)CCn1cc(CC#N)cn1 213860272 571679016 /nfs/dbraw/zinc/67/90/16/571679016.db2.gz AWMILTMDFOZTAY-UHFFFAOYSA-N 0 0 195.241 2.087 10 30 AEEERN C=CCCCc1cccnc1N 70595754 571679825 /nfs/dbraw/zinc/67/98/25/571679825.db2.gz CBFXLPXJFYBEMO-UHFFFAOYSA-N 0 0 162.236 2.173 10 30 AEEERN C=C[C@@H](O)[C@@H]1CCCC(F)(F)C1 300767202 571680114 /nfs/dbraw/zinc/68/01/14/571680114.db2.gz OYESNTHRZBLARY-HTQZYQBOSA-N 0 0 176.206 2.359 10 30 AEEERN C/C=C\C(=O)COc1ccccc1 213873719 571680584 /nfs/dbraw/zinc/68/05/84/571680584.db2.gz GZQXZXREEJYSDK-KXFIGUGUSA-N 0 0 176.215 2.211 10 30 AEEERN C=CCCC(=O)c1cccnc1OC 160435692 571680632 /nfs/dbraw/zinc/68/06/32/571680632.db2.gz IVHZPZCZLFIFAY-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN Cc1c(C=NO)n(C)c2ccccc12 308636631 571680718 /nfs/dbraw/zinc/68/07/18/571680718.db2.gz ZFDCEFYGUDTGLI-UHFFFAOYSA-N 0 0 188.230 2.295 10 30 AEEERN O=C[C@H](CF)Cc1ccccc1 213886589 571680771 /nfs/dbraw/zinc/68/07/71/571680771.db2.gz ATURHVRSCSVYTO-JTQLQIEISA-N 0 0 166.195 2.014 10 30 AEEERN N#C[C@@H](C1CC1)[C@@H]1CCCCCO1 213934372 571682508 /nfs/dbraw/zinc/68/25/08/571682508.db2.gz AFCVSSCVKCPFSG-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CC1)[C@H]1CCCCOC1 213934112 571682725 /nfs/dbraw/zinc/68/27/25/571682725.db2.gz VQYDVMHQHQXZGW-QWRGUYRKSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCCCC1)C1COC1 213936332 571682866 /nfs/dbraw/zinc/68/28/66/571682866.db2.gz AJBLWFJRVGXLTQ-NSHDSACASA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CCC1)[C@H]1CCCCO1 213934756 571683108 /nfs/dbraw/zinc/68/31/08/571683108.db2.gz UGDJCWFILNLPNI-GHMZBOCLSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CC1)[C@H]1CCCCCO1 213934314 571683118 /nfs/dbraw/zinc/68/31/18/571683118.db2.gz AFCVSSCVKCPFSG-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CCCCC1)[C@H]1CCO1 213935278 571683247 /nfs/dbraw/zinc/68/32/47/571683247.db2.gz KGYJBGBZASYJMJ-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CCCC1)[C@@H]1CCCO1 213934891 571683317 /nfs/dbraw/zinc/68/33/17/571683317.db2.gz FMPFCZAOWUGYQQ-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN CN1CC[C@@H]1[C@@H](C#N)C1CCCC1 213932627 571683627 /nfs/dbraw/zinc/68/36/27/571683627.db2.gz YQNPALMANKGPPE-WDEREUQCSA-N 0 0 178.279 2.020 10 30 AEEERN N#C[C@@H](C1CCC1)[C@@H]1CCCOC1 213935808 571683664 /nfs/dbraw/zinc/68/36/64/571683664.db2.gz YCVFJTRHBQRMPC-MNOVXSKESA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCCC1)[C@@H]1CCOC1 213936075 571683720 /nfs/dbraw/zinc/68/37/20/571683720.db2.gz JGQYACWCAXYWLF-MNOVXSKESA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CC1)[C@H]1CCCCCO1 213934434 571683854 /nfs/dbraw/zinc/68/38/54/571683854.db2.gz AFCVSSCVKCPFSG-GHMZBOCLSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@H](C1CCCCC1)[C@@H]1CCO1 213935092 571683816 /nfs/dbraw/zinc/68/38/16/571683816.db2.gz KGYJBGBZASYJMJ-MNOVXSKESA-N 0 0 179.263 2.495 10 30 AEEERN N#CCC(=N)OCc1ccccc1 22006817 571683874 /nfs/dbraw/zinc/68/38/74/571683874.db2.gz YMJZVTRXKMWFCW-UHFFFAOYSA-N 0 0 174.203 2.094 10 30 AEEERN N#C[C@H](C1CCCCC1)C1COC1 213936278 571684101 /nfs/dbraw/zinc/68/41/01/571684101.db2.gz AJBLWFJRVGXLTQ-LLVKDONJSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CCCC1)[C@@H]1CCOC1 213936013 571684168 /nfs/dbraw/zinc/68/41/68/571684168.db2.gz JGQYACWCAXYWLF-GHMZBOCLSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CCC1)C1CCOCC1 213935620 571684296 /nfs/dbraw/zinc/68/42/96/571684296.db2.gz AZSURYUZEDELOP-LLVKDONJSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCCC1)[C@H]1CCCO1 213935014 571684306 /nfs/dbraw/zinc/68/43/06/571684306.db2.gz FMPFCZAOWUGYQQ-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CC1)[C@@H]1CCCCOC1 213934051 571684329 /nfs/dbraw/zinc/68/43/29/571684329.db2.gz VQYDVMHQHQXZGW-MNOVXSKESA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CC1)[C@@H]1CCCOCC1 213935531 571684362 /nfs/dbraw/zinc/68/43/62/571684362.db2.gz VWNHPMBKQCBDNA-KOLCDFICSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCC1)C1CCOCC1 213935679 571684375 /nfs/dbraw/zinc/68/43/75/571684375.db2.gz AZSURYUZEDELOP-NSHDSACASA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCC1)[C@H]1CCCCO1 213934634 571684489 /nfs/dbraw/zinc/68/44/89/571684489.db2.gz UGDJCWFILNLPNI-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CCCC1)[C@H]1CCOC1 213936183 571684504 /nfs/dbraw/zinc/68/45/04/571684504.db2.gz JGQYACWCAXYWLF-QWRGUYRKSA-N 0 0 179.263 2.353 10 30 AEEERN CN1CC[C@H]1[C@@H](C#N)C1CCCC1 213932687 571684540 /nfs/dbraw/zinc/68/45/40/571684540.db2.gz YQNPALMANKGPPE-QWRGUYRKSA-N 0 0 178.279 2.020 10 30 AEEERN N#C[C@@H](C1CC1)[C@H]1CCCOCC1 213935366 571684741 /nfs/dbraw/zinc/68/47/41/571684741.db2.gz VWNHPMBKQCBDNA-GXSJLCMTSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCC1)[C@@H]1CCCCO1 213934579 571684778 /nfs/dbraw/zinc/68/47/78/571684778.db2.gz UGDJCWFILNLPNI-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@H](C1CC1)[C@@H]1CCCCOC1 213934171 571684782 /nfs/dbraw/zinc/68/47/82/571684782.db2.gz VQYDVMHQHQXZGW-GHMZBOCLSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@@H](C1CCC1)[C@H]1CCCOC1 213935923 571684845 /nfs/dbraw/zinc/68/48/45/571684845.db2.gz YCVFJTRHBQRMPC-QWRGUYRKSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CCCC1)[C@H]1CCOC1 213936126 571684855 /nfs/dbraw/zinc/68/48/55/571684855.db2.gz JGQYACWCAXYWLF-WDEREUQCSA-N 0 0 179.263 2.353 10 30 AEEERN N#C[C@H](C1CCCC1)[C@H]1CCCO1 213934955 571684887 /nfs/dbraw/zinc/68/48/87/571684887.db2.gz FMPFCZAOWUGYQQ-GHMZBOCLSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@H](C1CC1)[C@@H]1CCCCCO1 213934496 571684967 /nfs/dbraw/zinc/68/49/67/571684967.db2.gz AFCVSSCVKCPFSG-MNOVXSKESA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H](C1CCCCC1)[C@@H]1CCO1 213935152 571685086 /nfs/dbraw/zinc/68/50/86/571685086.db2.gz KGYJBGBZASYJMJ-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN C/C=C/C=C(/C)C(=O)CC 213924708 571685307 /nfs/dbraw/zinc/68/53/07/571685307.db2.gz DYIIEUIGTQKOBS-AQXDOAQYSA-N 0 0 138.210 2.488 10 30 AEEERN Cc1oc(-c2ccncc2)nc1CC#N 11585037 571686008 /nfs/dbraw/zinc/68/60/08/571686008.db2.gz WKHWVSKGKFLUJL-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN CC(=O)c1c(C#N)n(C)c2ccccc12 34568553 571687089 /nfs/dbraw/zinc/68/70/89/571687089.db2.gz PZWTZIVREQZBRX-UHFFFAOYSA-N 0 0 198.225 2.253 10 30 AEEERN Cc1oc(-c2cccnc2)nc1CC#N 11585035 571687262 /nfs/dbraw/zinc/68/72/62/571687262.db2.gz AFMMVZIHRUZXJG-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN CC(=O)C1=C(O)Cc2ccccc21 11552416 571687423 /nfs/dbraw/zinc/68/74/23/571687423.db2.gz HENNLLOXPLEFIH-YRNVUSSQSA-N 0 0 174.199 2.101 10 30 AEEERN CC1=CC(=O)[C@@H](CCCC=O)CC1 213896893 571687581 /nfs/dbraw/zinc/68/75/81/571687581.db2.gz ZGGJVBDAMOHRGC-JTQLQIEISA-N 0 0 180.247 2.281 10 30 AEEERN Cc1oc(-c2ccccn2)nc1CC#N 11585032 571687584 /nfs/dbraw/zinc/68/75/84/571687584.db2.gz DRXNKHKUBRVDTP-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN Cn1ccc2cc(CC#N)ccc21 213973193 571688535 /nfs/dbraw/zinc/68/85/35/571688535.db2.gz IIRUFEUGKJBTEF-UHFFFAOYSA-N 0 0 170.215 2.244 10 30 AEEERN C=CCO[C@@H]1CC(=O)CCC1(C)C 725360497 571688932 /nfs/dbraw/zinc/68/89/32/571688932.db2.gz IJXHFAFKBDTEFJ-SNVBAGLBSA-N 0 0 182.263 2.337 10 30 AEEERN C[C@H](S)C(=O)OCC1CCCC1 235565451 571689731 /nfs/dbraw/zinc/68/97/31/571689731.db2.gz VXUAGNPWXDJRGA-ZETCQYMHSA-N 0 0 188.292 2.038 10 30 AEEERN C[C@](N)(C#N)c1ccc(Cl)cc1 22209911 571690445 /nfs/dbraw/zinc/69/04/45/571690445.db2.gz XHKHEJOQRCPUDU-VIFPVBQESA-N 0 0 180.638 2.037 10 30 AEEERN C[C@](N)(C#N)c1cccc(Cl)c1 22170711 571690851 /nfs/dbraw/zinc/69/08/51/571690851.db2.gz ODFAPLVCYVTWNN-VIFPVBQESA-N 0 0 180.638 2.037 10 30 AEEERN Cc1ccc(C)c([C@@](C)(N)C#N)c1 22173706 571690885 /nfs/dbraw/zinc/69/08/85/571690885.db2.gz MFAQCKBDPAFKSL-NSHDSACASA-N 0 0 174.247 2.001 10 30 AEEERN C[C@@](N)(C#N)c1cccc(Cl)c1 22170707 571691074 /nfs/dbraw/zinc/69/10/74/571691074.db2.gz ODFAPLVCYVTWNN-SECBINFHSA-N 0 0 180.638 2.037 10 30 AEEERN Cc1ccc(C)c([C@](C)(N)C#N)c1 22173709 571691120 /nfs/dbraw/zinc/69/11/20/571691120.db2.gz MFAQCKBDPAFKSL-LLVKDONJSA-N 0 0 174.247 2.001 10 30 AEEERN Cc1cc(C)c([C@](C)(N)C#N)c(C)c1 22215247 571691736 /nfs/dbraw/zinc/69/17/36/571691736.db2.gz FICYJXUAYDLFFI-GFCCVEGCSA-N 0 0 188.274 2.309 10 30 AEEERN Cc1cc(C)c([C@@](C)(N)C#N)c(C)c1 22215245 571691901 /nfs/dbraw/zinc/69/19/01/571691901.db2.gz FICYJXUAYDLFFI-LBPRGKRZSA-N 0 0 188.274 2.309 10 30 AEEERN C[C@@](N)(C#N)c1ccc(Cl)cc1 22209908 571692608 /nfs/dbraw/zinc/69/26/08/571692608.db2.gz XHKHEJOQRCPUDU-SECBINFHSA-N 0 0 180.638 2.037 10 30 AEEERN CC(C)(O)c1ccccc1CS 336614 571693204 /nfs/dbraw/zinc/69/32/04/571693204.db2.gz RNFJEPLCIPTEPX-UHFFFAOYSA-N 0 0 182.288 2.344 10 30 AEEERN CC[C@@H]1CCC[C@H](OC[C@@H]2CO2)C1 70564362 571694144 /nfs/dbraw/zinc/69/41/44/571694144.db2.gz JZMSXBWDNXUNNE-OUAUKWLOSA-N 0 0 184.279 2.371 10 30 AEEERN CC[C@H]1CCC[C@@H](OCC=O)C1 70564589 571694578 /nfs/dbraw/zinc/69/45/78/571694578.db2.gz ISPRSAXDQXYXLW-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN Cc1ccc(-c2nc(CC#N)no2)cc1 57354735 571694595 /nfs/dbraw/zinc/69/45/95/571694595.db2.gz PWNMYOBBJNEWTE-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN C=CCC1C(=O)CCCC1=O 393185 571694598 /nfs/dbraw/zinc/69/45/98/571694598.db2.gz IOAHPFYKKURRGG-UHFFFAOYSA-N 0 0 152.193 2.128 10 30 AEEERN CC[C@@H]1CCC[C@@H](OCC=O)C1 70564588 571694607 /nfs/dbraw/zinc/69/46/07/571694607.db2.gz ISPRSAXDQXYXLW-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@@H]1CCC/C(=N/O)C1 70563856 571695021 /nfs/dbraw/zinc/69/50/21/571695021.db2.gz YSJCDSZJXLJPOS-HPWUZBQLSA-N 0 0 141.214 2.417 10 30 AEEERN CC[C@H]1CCC[C@@H](OC[C@@H]2CO2)C1 70564365 571695168 /nfs/dbraw/zinc/69/51/68/571695168.db2.gz JZMSXBWDNXUNNE-HBNTYKKESA-N 0 0 184.279 2.371 10 30 AEEERN CC[C@H]1CCC[C@H](OC[C@@H]2CO2)C1 70564363 571695358 /nfs/dbraw/zinc/69/53/58/571695358.db2.gz JZMSXBWDNXUNNE-GARJFASQSA-N 0 0 184.279 2.371 10 30 AEEERN CC[C@H]1CCC[C@H](OCC=O)C1 70564587 571695472 /nfs/dbraw/zinc/69/54/72/571695472.db2.gz ISPRSAXDQXYXLW-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN CC1C(=O)[C@@H](C)C[C@@H](C)C1=O 391416 571695622 /nfs/dbraw/zinc/69/56/22/571695622.db2.gz BQAZZGWREFKQNH-NTSWFWBYSA-N 0 0 154.209 2.063 10 30 AEEERN CC[C@H]1CCC/C(=N/O)C1 70563857 571695827 /nfs/dbraw/zinc/69/58/27/571695827.db2.gz YSJCDSZJXLJPOS-RDONPILCSA-N 0 0 141.214 2.417 10 30 AEEERN CC[C@@H]1CCC[C@@H](OC[C@@H]2CO2)C1 70564364 571696213 /nfs/dbraw/zinc/69/62/13/571696213.db2.gz JZMSXBWDNXUNNE-GMTAPVOTSA-N 0 0 184.279 2.371 10 30 AEEERN CC1C(=O)[C@@H](C)C[C@H](C)C1=O 391415 571696220 /nfs/dbraw/zinc/69/62/20/571696220.db2.gz BQAZZGWREFKQNH-WDSKDSINSA-N 0 0 154.209 2.063 10 30 AEEERN CC#CCCC[C@@H](O)/C=C\C 225828740 571696420 /nfs/dbraw/zinc/69/64/20/571696420.db2.gz FVBAVWJQSVAXPN-PENHIPQLSA-N 0 0 152.237 2.117 10 30 AEEERN CC[C@@H]1CCC[C@H](OCC=O)C1 70564586 571696653 /nfs/dbraw/zinc/69/66/53/571696653.db2.gz ISPRSAXDQXYXLW-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCOc1cccc(C(C)=NO)c1 687716621 571696723 /nfs/dbraw/zinc/69/67/23/571696723.db2.gz DVDPBBYTIBCGSY-UHFFFAOYSA-N 0 0 191.230 2.450 10 30 AEEERN C=C[C@@H](C)Oc1ccc(F)cc1CO 235235725 571696950 /nfs/dbraw/zinc/69/69/50/571696950.db2.gz YDIINPASCABLCV-MRVPVSSYSA-N 0 0 196.221 2.271 10 30 AEEERN C[C@@H](CC#N)N[C@@H](C)c1nccs1 70621551 571697353 /nfs/dbraw/zinc/69/73/53/571697353.db2.gz OSNZDMIHWGWOPX-YUMQZZPRSA-N 0 0 195.291 2.096 10 30 AEEERN C[C@H](C#N)c1cnc2cc[nH]c2c1 213995007 571697374 /nfs/dbraw/zinc/69/73/74/571697374.db2.gz OLNFRRMBGJVKEV-SSDOTTSWSA-N 0 0 171.203 2.190 10 30 AEEERN C/C=C(/C)C(=O)CCC[C@H](C)O 213987002 571697599 /nfs/dbraw/zinc/69/75/99/571697599.db2.gz TYDFAQBVUJWLCN-OTOXVQDCSA-N 0 0 170.252 2.073 10 30 AEEERN C[C@H](N[C@H](C)CC#N)c1nccs1 70621552 571698040 /nfs/dbraw/zinc/69/80/40/571698040.db2.gz OSNZDMIHWGWOPX-SFYZADRCSA-N 0 0 195.291 2.096 10 30 AEEERN C/C=C(/C)C(=O)CCC[C@@H](C)O 213986942 571698214 /nfs/dbraw/zinc/69/82/14/571698214.db2.gz TYDFAQBVUJWLCN-USYJTPIQSA-N 0 0 170.252 2.073 10 30 AEEERN N#CCc1ccc(-c2ccc[nH]2)[nH]1 213991974 571698389 /nfs/dbraw/zinc/69/83/89/571698389.db2.gz HQANXFJCNXHQEE-UHFFFAOYSA-N 0 0 171.203 2.076 10 30 AEEERN C[C@H](CC#N)N[C@H](C)c1nccs1 70621554 571698506 /nfs/dbraw/zinc/69/85/06/571698506.db2.gz OSNZDMIHWGWOPX-HTQZYQBOSA-N 0 0 195.291 2.096 10 30 AEEERN N#Cc1cnc(Cl)c2c1SCC2 213987507 571698582 /nfs/dbraw/zinc/69/85/82/571698582.db2.gz SJFBZXFUJRGELP-UHFFFAOYSA-N 0 0 196.662 2.255 10 30 AEEERN C[C@@H](C#N)c1cnc2cc[nH]c2c1 213994949 571699008 /nfs/dbraw/zinc/69/90/08/571699008.db2.gz OLNFRRMBGJVKEV-ZETCQYMHSA-N 0 0 171.203 2.190 10 30 AEEERN C=CCOc1ccc([C@@H](C)O)c(F)c1 235238891 571699272 /nfs/dbraw/zinc/69/92/72/571699272.db2.gz RNQFLQBNXXIJIS-MRVPVSSYSA-N 0 0 196.221 2.444 10 30 AEEERN N#CCCc1cnc2cc[nH]c2c1 213995098 571700350 /nfs/dbraw/zinc/70/03/50/571700350.db2.gz LVPXRFHIWNYWLG-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN CC[C@@H](C)Oc1ncccc1C#N 48264527 571699823 /nfs/dbraw/zinc/69/98/23/571699823.db2.gz ZWSKQEYIWBTTBN-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CC[C@@H](CC#N)Oc1cccc(N)c1 38055327 571699937 /nfs/dbraw/zinc/69/99/37/571699937.db2.gz BCSXMDCAPRWSFS-JTQLQIEISA-N 0 0 190.246 2.340 10 30 AEEERN CCCCCCC[C@H](C#N)NC 102301235 571699999 /nfs/dbraw/zinc/69/99/99/571699999.db2.gz HKTKCONIUACVKZ-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN N#CCc1ccccc1OCC(F)F 213997031 571700408 /nfs/dbraw/zinc/70/04/08/571700408.db2.gz HWSYJIZGDJDWNP-UHFFFAOYSA-N 0 0 197.184 2.397 10 30 AEEERN C=C[C@@H](C)OC1CCC(CO)CC1 235238061 571700763 /nfs/dbraw/zinc/70/07/63/571700763.db2.gz FSMITTPPVYIETO-KPPDAEKUSA-N 0 0 184.279 2.129 10 30 AEEERN C/C(=N/O)C1CCCC1 101626506 571700839 /nfs/dbraw/zinc/70/08/39/571700839.db2.gz CAWBKSMYCMITEJ-VURMDHGXSA-N 0 0 127.187 2.027 10 30 AEEERN N#CCc1cccc(OCC(F)F)c1 213996786 571701168 /nfs/dbraw/zinc/70/11/68/571701168.db2.gz WRAIXIKFSJQPNR-UHFFFAOYSA-N 0 0 197.184 2.397 10 30 AEEERN CC/C(C)=C/C=C\C(C)=O 214002729 571701271 /nfs/dbraw/zinc/70/12/71/571701271.db2.gz VVIAPRCFRQGEMB-CGXWXWIYSA-N 0 0 138.210 2.488 10 30 AEEERN Cc1noc2cc(CC#N)ccc12 214024727 571703655 /nfs/dbraw/zinc/70/36/55/571703655.db2.gz VYBRQEHSURNULX-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN Cc1noc2cccc(CC#N)c12 214024636 571703662 /nfs/dbraw/zinc/70/36/62/571703662.db2.gz IRWONLSCLZMGOI-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN CC[C@@H](C)Oc1ccc(C#N)cn1 48264524 571702761 /nfs/dbraw/zinc/70/27/61/571702761.db2.gz GMSVKRHGZDJGHM-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CCCCCCC[C@@H](C#N)NC 102301231 571702932 /nfs/dbraw/zinc/70/29/32/571702932.db2.gz HKTKCONIUACVKZ-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN CCCCCCC[C@@H](N)C#N 102301214 571703136 /nfs/dbraw/zinc/70/31/36/571703136.db2.gz USOJRICXFAKQDG-SECBINFHSA-N 0 0 154.257 2.198 10 30 AEEERN CCCCCCC[C@H](N)C#N 102301209 571703164 /nfs/dbraw/zinc/70/31/64/571703164.db2.gz USOJRICXFAKQDG-VIFPVBQESA-N 0 0 154.257 2.198 10 30 AEEERN N#CCCc1cc2cnccc2o1 214027190 571703793 /nfs/dbraw/zinc/70/37/93/571703793.db2.gz WXJGGGXVAOXHRN-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN Cc1cccc(-n2ccnc2CC#N)c1 214028198 571703197 /nfs/dbraw/zinc/70/31/97/571703197.db2.gz UCIDZJLHRJZEFP-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C[C@@H](C#N)c1coc2ncccc12 214025962 571703255 /nfs/dbraw/zinc/70/32/55/571703255.db2.gz NFUVWZGTWINDCP-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN N#CCCc1cc2cccnc2o1 214027344 571703258 /nfs/dbraw/zinc/70/32/58/571703258.db2.gz CAVIOGWFKIAJMP-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN Cc1ccc(-n2cncc2CC#N)cc1 214028561 571703320 /nfs/dbraw/zinc/70/33/20/571703320.db2.gz YYUOYHSMKRIRIR-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN CNc1nc(-c2ccc(C#N)cc2)co1 168332292 571703342 /nfs/dbraw/zinc/70/33/42/571703342.db2.gz QPUBFRHUQLAKQR-UHFFFAOYSA-N 0 0 199.213 2.255 10 30 AEEERN N#CCCc1coc2cnccc12 214027028 571703350 /nfs/dbraw/zinc/70/33/50/571703350.db2.gz LADCVIHMFJJTMH-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN C[C@H](C#N)c1cc2cccnc2o1 214026420 571703354 /nfs/dbraw/zinc/70/33/54/571703354.db2.gz NDNNCABXUGDAHR-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN CCc1cc(C#N)ccc1-n1ccnc1 214027629 571703395 /nfs/dbraw/zinc/70/33/95/571703395.db2.gz PMKBIKSBEHMFFF-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CCc1ccc(C#N)c(-n2ccnc2)c1 214027377 571703411 /nfs/dbraw/zinc/70/34/11/571703411.db2.gz XUSDYHBCJPHWOS-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN C[C@@H](C#N)c1cc2cccnc2o1 214026371 571703502 /nfs/dbraw/zinc/70/35/02/571703502.db2.gz NDNNCABXUGDAHR-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN C=CC[C@]1(CO)CCC[C@@]1(O)CC=C 214031442 571703524 /nfs/dbraw/zinc/70/35/24/571703524.db2.gz AASKLTUSKIVISW-NEPJUHHUSA-N 0 0 196.290 2.032 10 30 AEEERN Cc1noc2ccc(CC#N)cc12 214024806 571703558 /nfs/dbraw/zinc/70/35/58/571703558.db2.gz DICPIBKRCVCDSN-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN C[C@@H](C#N)c1cc2ccoc2cn1 214025410 571703582 /nfs/dbraw/zinc/70/35/82/571703582.db2.gz WYHXIZMLULTTSK-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN CCc1cccc(-n2ccnc2)c1C#N 214027215 571703695 /nfs/dbraw/zinc/70/36/95/571703695.db2.gz DYFVVBHDCAYOCM-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CC[C@H](C)Oc1ncccc1C#N 48264529 571703700 /nfs/dbraw/zinc/70/37/00/571703700.db2.gz ZWSKQEYIWBTTBN-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN C[C@@H](C#N)c1cc2ncccc2o1 214026506 571703732 /nfs/dbraw/zinc/70/37/32/571703732.db2.gz UQAYPMCEQVVGMG-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN N#CCCc1coc2cccnc12 214026857 571703831 /nfs/dbraw/zinc/70/38/31/571703831.db2.gz JMEFDWPQZURNRZ-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN C[C@H](C#N)c1cc2cnccc2o1 214026150 571703893 /nfs/dbraw/zinc/70/38/93/571703893.db2.gz KQEDTSDJHMZTTQ-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN N#CCCCCOc1cccc(N)c1 38055293 571703924 /nfs/dbraw/zinc/70/39/24/571703924.db2.gz LXHKZYQOZCNSPQ-UHFFFAOYSA-N 0 0 190.246 2.341 10 30 AEEERN C[C@@H](C#N)c1cc2cnccc2o1 214026093 571703986 /nfs/dbraw/zinc/70/39/86/571703986.db2.gz KQEDTSDJHMZTTQ-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN N#CCCc1cc2ncccc2o1 214027428 571703998 /nfs/dbraw/zinc/70/39/98/571703998.db2.gz HKKFJAZWSLAYRL-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN CCc1ccc(-n2ccnc2)c(C#N)c1 214027463 571704049 /nfs/dbraw/zinc/70/40/49/571704049.db2.gz RSLILBGNNKGQHE-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN C[C@@H](C#N)c1ccc2conc2c1 214026638 571704171 /nfs/dbraw/zinc/70/41/71/571704171.db2.gz LPPISKBJDOMABB-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN C[C@@H](C#N)c1coc2cnccc12 214025817 571704429 /nfs/dbraw/zinc/70/44/29/571704429.db2.gz HPBIZZDEOOXYDZ-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN C[C@@H](C#N)c1coc2ccncc12 214025683 571704441 /nfs/dbraw/zinc/70/44/41/571704441.db2.gz IEOGLAVPZLYHHO-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN C[C@H](C#N)c1coc2ncccc12 214026016 571704445 /nfs/dbraw/zinc/70/44/45/571704445.db2.gz NFUVWZGTWINDCP-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN N#CCCc1coc2ccncc12 214026948 571704453 /nfs/dbraw/zinc/70/44/53/571704453.db2.gz SXANMGDCDNSULP-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN Cc1ccccc1-n1ccnc1CC#N 214028117 571704456 /nfs/dbraw/zinc/70/44/56/571704456.db2.gz AQQHFXPBLTYYJF-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN CCc1ccc2c(N)ncc(C#N)c2c1 214027045 571704405 /nfs/dbraw/zinc/70/44/05/571704405.db2.gz FTVKADSDXUNUNG-UHFFFAOYSA-N 0 0 197.241 2.251 10 30 AEEERN C[C@H](C#N)c1coc2cccnc12 214025598 571704414 /nfs/dbraw/zinc/70/44/14/571704414.db2.gz IMDQGTMHFHROGB-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN CCc1ccc(C#N)cc1-n1ccnc1 214027543 571704593 /nfs/dbraw/zinc/70/45/93/571704593.db2.gz QRVMERRPBMCAPS-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN N#CCCc1cc2ccncc2o1 214027263 571704602 /nfs/dbraw/zinc/70/46/02/571704602.db2.gz YLFNOXWLKJMMHZ-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN C[C@H](C#N)c1ccc2conc2c1 214026700 571704605 /nfs/dbraw/zinc/70/46/05/571704605.db2.gz LPPISKBJDOMABB-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN C[C@@H](C#N)c1cc2ccncc2o1 214026227 571704867 /nfs/dbraw/zinc/70/48/67/571704867.db2.gz CBBGXQJNPKIBMF-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN C[C@@H](C#N)c1coc2cccnc12 214025545 571704621 /nfs/dbraw/zinc/70/46/21/571704621.db2.gz IMDQGTMHFHROGB-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN Cc1ccccc1-n1nccc1CC#N 214028643 571704624 /nfs/dbraw/zinc/70/46/24/571704624.db2.gz ZNPAICTVTIFHDH-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C=CC[C@]1(O)CCC[C@]1(CO)CC=C 214031501 571704707 /nfs/dbraw/zinc/70/47/07/571704707.db2.gz AASKLTUSKIVISW-RYUDHWBXSA-N 0 0 196.290 2.032 10 30 AEEERN C[C@H](C#N)c1coc2cnccc12 214025880 571704714 /nfs/dbraw/zinc/70/47/14/571704714.db2.gz HPBIZZDEOOXYDZ-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN Cc1noc2c(CC#N)cccc12 214024455 571704736 /nfs/dbraw/zinc/70/47/36/571704736.db2.gz DJCVCIHPQLELSP-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN C[C@H](C#N)c1coc2ccncc12 214025740 571704750 /nfs/dbraw/zinc/70/47/50/571704750.db2.gz IEOGLAVPZLYHHO-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN Cc1ccc(-n2ccnc2CC#N)cc1 214028288 571704764 /nfs/dbraw/zinc/70/47/64/571704764.db2.gz ZZLSOEGJWIEMOF-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN N#CCCc1cc2ccoc2cn1 214026776 571704823 /nfs/dbraw/zinc/70/48/23/571704823.db2.gz WDZHTBFEMUCMEA-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN Cc1cccc(-n2nccc2CC#N)c1 214028727 571704845 /nfs/dbraw/zinc/70/48/45/571704845.db2.gz QBKWRFGGUCGNHP-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN CCCCCCCCCNN 103049472 571705206 /nfs/dbraw/zinc/70/52/06/571705206.db2.gz IDIXOSREORKJTN-UHFFFAOYSA-N 0 0 158.289 2.200 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CCC(F)(F)C1 300776290 571705519 /nfs/dbraw/zinc/70/55/19/571705519.db2.gz SQKWLRUQPVKZEX-SFYZADRCSA-N 0 0 176.206 2.359 10 30 AEEERN N#CCc1cncc2c1CCCC2 214038626 571705952 /nfs/dbraw/zinc/70/59/52/571705952.db2.gz GGIRLYWUOSCPCE-UHFFFAOYSA-N 0 0 172.231 2.026 10 30 AEEERN N#Cc1cc(C2CC2)ncc1Cl 725376668 571706573 /nfs/dbraw/zinc/70/65/73/571706573.db2.gz XFTHJVMXTBPPST-UHFFFAOYSA-N 0 0 178.622 2.484 10 30 AEEERN N#CCc1cc2ccc(O)cc2o1 214047430 571706816 /nfs/dbraw/zinc/70/68/16/571706816.db2.gz SOGGMVUFFTZIET-UHFFFAOYSA-N 0 0 173.171 2.204 10 30 AEEERN C=CCCCCCC(=O)[C@@H](C)O 235252995 571707893 /nfs/dbraw/zinc/70/78/93/571707893.db2.gz CIXVFYUIORFHFF-SECBINFHSA-N 0 0 170.252 2.073 10 30 AEEERN C[C@@H]1Cc2cccc(CC#N)c2O1 214055300 571708373 /nfs/dbraw/zinc/70/83/73/571708373.db2.gz HVTBTHAMFZXDII-MRVPVSSYSA-N 0 0 173.215 2.076 10 30 AEEERN C[C@@H]1Cc2ccc(CC#N)cc2O1 214055154 571708790 /nfs/dbraw/zinc/70/87/90/571708790.db2.gz KOQYRROUJZQQNV-MRVPVSSYSA-N 0 0 173.215 2.076 10 30 AEEERN C[C@H]1Cc2cc(CC#N)ccc2O1 214055656 571708795 /nfs/dbraw/zinc/70/87/95/571708795.db2.gz XTCGYBIQRRBUOB-QMMMGPOBSA-N 0 0 173.215 2.076 10 30 AEEERN CCCCCCCn1cnc(C#N)n1 106901734 571708877 /nfs/dbraw/zinc/70/88/77/571708877.db2.gz FSFZOTNIHRBIRN-UHFFFAOYSA-N 0 0 192.266 2.120 10 30 AEEERN CC[C@H](CC#N)Oc1ccc(N)cc1 38055861 571708919 /nfs/dbraw/zinc/70/89/19/571708919.db2.gz PIHBULHOQZQSBE-SNVBAGLBSA-N 0 0 190.246 2.340 10 30 AEEERN C[C@@H]1Cc2cc(CC#N)ccc2O1 214055601 571708955 /nfs/dbraw/zinc/70/89/55/571708955.db2.gz XTCGYBIQRRBUOB-MRVPVSSYSA-N 0 0 173.215 2.076 10 30 AEEERN Cc1cc(O)cc(C2(C#N)CC2)c1 214055520 571709028 /nfs/dbraw/zinc/70/90/28/571709028.db2.gz SSOOUQBEYBKVIA-UHFFFAOYSA-N 0 0 173.215 2.256 10 30 AEEERN CC[C@H](CC#N)Oc1ccccc1N 38056087 571709097 /nfs/dbraw/zinc/70/90/97/571709097.db2.gz BRCNZAUIMAFKMG-SECBINFHSA-N 0 0 190.246 2.340 10 30 AEEERN CCCCCCCC(=O)N[C@H](C)C#N 103483918 571709291 /nfs/dbraw/zinc/70/92/91/571709291.db2.gz NIHUPBWPJQWWCA-SNVBAGLBSA-N 0 0 196.294 2.375 10 30 AEEERN CC[C@H](N[C@H](C)C#N)c1nccs1 70634299 571709597 /nfs/dbraw/zinc/70/95/97/571709597.db2.gz UUCVORADRBHOGS-SFYZADRCSA-N 0 0 195.291 2.096 10 30 AEEERN CC[C@@H](N[C@H](C)C#N)c1nccs1 70634300 571709699 /nfs/dbraw/zinc/70/96/99/571709699.db2.gz UUCVORADRBHOGS-HTQZYQBOSA-N 0 0 195.291 2.096 10 30 AEEERN C[C@@H]1Cc2c(CC#N)cccc2O1 214055023 571709735 /nfs/dbraw/zinc/70/97/35/571709735.db2.gz VWYMIYDPCLZJQM-MRVPVSSYSA-N 0 0 173.215 2.076 10 30 AEEERN C[C@@H]1CC[C@@H](C#N)[C@H](n2ccnc2)C1 37147392 571709762 /nfs/dbraw/zinc/70/97/62/571709762.db2.gz PMMQXEPNCVIINA-OUAUKWLOSA-N 0 0 189.262 2.384 10 30 AEEERN C[C@H]1Cc2cccc(CC#N)c2O1 214055354 571709862 /nfs/dbraw/zinc/70/98/62/571709862.db2.gz HVTBTHAMFZXDII-QMMMGPOBSA-N 0 0 173.215 2.076 10 30 AEEERN C[C@H]1Cc2c(CC#N)cccc2O1 214055079 571710113 /nfs/dbraw/zinc/71/01/13/571710113.db2.gz VWYMIYDPCLZJQM-QMMMGPOBSA-N 0 0 173.215 2.076 10 30 AEEERN Cc1ccc(C[C@H](C)NCC#N)s1 70633858 571710502 /nfs/dbraw/zinc/71/05/02/571710502.db2.gz DZMVHKJDXRKDEM-QMMMGPOBSA-N 0 0 194.303 2.101 10 30 AEEERN CC[C@H](C#N)N[C@H](C)c1nccs1 70634360 571710526 /nfs/dbraw/zinc/71/05/26/571710526.db2.gz BZTKQUUFKKPINA-HTQZYQBOSA-N 0 0 195.291 2.096 10 30 AEEERN CC[C@H](C)N[C@](C)(C#N)C1CC1 38064615 571710641 /nfs/dbraw/zinc/71/06/41/571710641.db2.gz KQJXRSHFEUPUNH-WCBMZHEXSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H]1CC[C@H](C#N)[C@H](n2ccnc2)C1 37147390 571710773 /nfs/dbraw/zinc/71/07/73/571710773.db2.gz PMMQXEPNCVIINA-GMTAPVOTSA-N 0 0 189.262 2.384 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)c1nccs1 70634359 571710822 /nfs/dbraw/zinc/71/08/22/571710822.db2.gz BZTKQUUFKKPINA-SFYZADRCSA-N 0 0 195.291 2.096 10 30 AEEERN Cc1ccc(C[C@@H](C)NCC#N)s1 70633857 571710894 /nfs/dbraw/zinc/71/08/94/571710894.db2.gz DZMVHKJDXRKDEM-MRVPVSSYSA-N 0 0 194.303 2.101 10 30 AEEERN CC[C@@H](N[C@@H](C)C#N)c1nccs1 70634298 571710963 /nfs/dbraw/zinc/71/09/63/571710963.db2.gz UUCVORADRBHOGS-JGVFFNPUSA-N 0 0 195.291 2.096 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)c1nccs1 70634358 571711079 /nfs/dbraw/zinc/71/10/79/571711079.db2.gz BZTKQUUFKKPINA-JGVFFNPUSA-N 0 0 195.291 2.096 10 30 AEEERN O=CCCc1ccc(OC2CC2)cc1 125519425 571711101 /nfs/dbraw/zinc/71/11/01/571711101.db2.gz XTXMHWXSNPEYQJ-UHFFFAOYSA-N 0 0 190.242 2.359 10 30 AEEERN CC[C@H](C)N[C@](C)(C#N)C(C)C 38064237 571711134 /nfs/dbraw/zinc/71/11/34/571711134.db2.gz UNRRMQGENWJBFQ-VHSXEESVSA-N 0 0 168.284 2.313 10 30 AEEERN Cc1[nH]c2c(c1[C@@H](C)C#N)CCC2 214084186 571711203 /nfs/dbraw/zinc/71/12/03/571711203.db2.gz MLRBLOCLYPPIAK-ZETCQYMHSA-N 0 0 174.247 2.439 10 30 AEEERN N#CCc1cc2n(c1)CCCCC2 214083820 571711312 /nfs/dbraw/zinc/71/13/12/571711312.db2.gz YCCWTLUREVLWAM-UHFFFAOYSA-N 0 0 174.247 2.281 10 30 AEEERN N#CCc1cccc2scnc12 214081116 571711315 /nfs/dbraw/zinc/71/13/15/571711315.db2.gz ZAJGWNVSAOWDRR-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN CC[C@H](N[C@@H](C)C#N)c1nccs1 70634297 571711320 /nfs/dbraw/zinc/71/13/20/571711320.db2.gz UUCVORADRBHOGS-YUMQZZPRSA-N 0 0 195.291 2.096 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)c1cccnc1 38064737 571711344 /nfs/dbraw/zinc/71/13/44/571711344.db2.gz JDXFQFDETQNXQT-ONGXEEELSA-N 0 0 189.262 2.034 10 30 AEEERN Cc1[nH]c2c(c1[C@H](C)C#N)CCC2 214084238 571711351 /nfs/dbraw/zinc/71/13/51/571711351.db2.gz MLRBLOCLYPPIAK-SSDOTTSWSA-N 0 0 174.247 2.439 10 30 AEEERN N#CCc1ccc2cnsc2c1 214080882 571711389 /nfs/dbraw/zinc/71/13/89/571711389.db2.gz WGGXSHGFQYQBAM-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN CC1(C)[C@@H](NCC#N)[C@@]2(C)CC[C@@H]1C2 70632845 571711518 /nfs/dbraw/zinc/71/15/18/571711518.db2.gz VJKHMMQFGQFOSA-FOGDFJRCSA-N 0 0 192.306 2.314 10 30 AEEERN C=C[C@@H](C)Oc1ccccc1CCO 235257799 571711521 /nfs/dbraw/zinc/71/15/21/571711521.db2.gz SVAQPQZRXPKYNT-SNVBAGLBSA-N 0 0 192.258 2.175 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)c1nccs1 70634357 571711629 /nfs/dbraw/zinc/71/16/29/571711629.db2.gz BZTKQUUFKKPINA-YUMQZZPRSA-N 0 0 195.291 2.096 10 30 AEEERN CC[C@@H](C)N[C@@](C)(C#N)C1CC1 38064612 571711724 /nfs/dbraw/zinc/71/17/24/571711724.db2.gz KQJXRSHFEUPUNH-SCZZXKLOSA-N 0 0 166.268 2.067 10 30 AEEERN N#CCc1cc2sccc2cn1 214080713 571711971 /nfs/dbraw/zinc/71/19/71/571711971.db2.gz LEHPMEDTHYBOJZ-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN COc1nc2cc(C)ccc2cc1C#N 11727641 571711972 /nfs/dbraw/zinc/71/19/72/571711972.db2.gz LVRBHGRNZDKCFA-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN Cc1[nH]c2c(c1CCC#N)CCC2 214084424 571711857 /nfs/dbraw/zinc/71/18/57/571711857.db2.gz XNRKBIRLLJGUOA-UHFFFAOYSA-N 0 0 174.247 2.268 10 30 AEEERN CC[C@H](C)N[C@H](C#N)c1cccnc1 38064739 571711942 /nfs/dbraw/zinc/71/19/42/571711942.db2.gz JDXFQFDETQNXQT-GXSJLCMTSA-N 0 0 189.262 2.034 10 30 AEEERN N#CCc1cccc2ncsc12 214081190 571711960 /nfs/dbraw/zinc/71/19/60/571711960.db2.gz RCFRMLQDOPWDTQ-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN Cn1ccc2c1CC[C@@H](CC#N)C2 214083738 571712145 /nfs/dbraw/zinc/71/21/45/571712145.db2.gz VGXXRJIVXWGINZ-VIFPVBQESA-N 0 0 174.247 2.044 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)c1cccnc1 38064738 571712214 /nfs/dbraw/zinc/71/22/14/571712214.db2.gz JDXFQFDETQNXQT-MWLCHTKSSA-N 0 0 189.262 2.034 10 30 AEEERN CCS[C@H]1CCC[C@@H]1C#N 37156073 571712592 /nfs/dbraw/zinc/71/25/92/571712592.db2.gz VNPJGDNADZMYBS-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN CCS[C@@H]1CCC[C@H]1C#N 37156075 571712710 /nfs/dbraw/zinc/71/27/10/571712710.db2.gz VNPJGDNADZMYBS-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN N#CCc1ccc2sncc2c1 214080960 571712826 /nfs/dbraw/zinc/71/28/26/571712826.db2.gz XMZGFAKELROWEA-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN COc1nc2ccc(C)cc2cc1C#N 11727642 571712837 /nfs/dbraw/zinc/71/28/37/571712837.db2.gz WOOGRAJFTRUNCB-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN N#CCc1cc2ccncc2s1 214080795 571713033 /nfs/dbraw/zinc/71/30/33/571713033.db2.gz ZQVJPOWESVOSCA-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN CC[C@H](C)N[C@@](C)(C#N)C1CC1 38064613 571713111 /nfs/dbraw/zinc/71/31/11/571713111.db2.gz KQJXRSHFEUPUNH-WPRPVWTQSA-N 0 0 166.268 2.067 10 30 AEEERN N#CCc1cccc2cnsc12 214081053 571713223 /nfs/dbraw/zinc/71/32/23/571713223.db2.gz UJETZVKMWIKSCW-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN O=CCCc1ccn(C2CCCC2)n1 84843990 571713602 /nfs/dbraw/zinc/71/36/02/571713602.db2.gz VIZNOFUTMLXFKF-UHFFFAOYSA-N 0 0 192.262 2.130 10 30 AEEERN C#CC[C@@]1(C)CCC(C)(C)C1=O 138789394 571713778 /nfs/dbraw/zinc/71/37/78/571713778.db2.gz CXEWSVCYYJTISY-NSHDSACASA-N 0 0 164.248 2.405 10 30 AEEERN COc1ccc2c(C#N)nc(C)cc2c1 214096370 571713837 /nfs/dbraw/zinc/71/38/37/571713837.db2.gz IMLAXSAVBBYOCW-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CCC(CC)n1ccc(CCC=O)n1 84843994 571713989 /nfs/dbraw/zinc/71/39/89/571713989.db2.gz JVZARICHKOOQSF-UHFFFAOYSA-N 0 0 194.278 2.376 10 30 AEEERN CC[C@@H](C)N[C@](C)(C#N)C1CC1 38064614 571714074 /nfs/dbraw/zinc/71/40/74/571714074.db2.gz KQJXRSHFEUPUNH-PSASIEDQSA-N 0 0 166.268 2.067 10 30 AEEERN COc1cccc2c(C#N)nc(C)cc12 214096452 571714300 /nfs/dbraw/zinc/71/43/00/571714300.db2.gz XURNWPADOWGOMX-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CCS[C@@H]1CCC[C@@H]1C#N 37156071 571714305 /nfs/dbraw/zinc/71/43/05/571714305.db2.gz VNPJGDNADZMYBS-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN COc1ncc(C#N)c2ccc(C)cc12 214095460 571714316 /nfs/dbraw/zinc/71/43/16/571714316.db2.gz LDZMDURGJMMHBV-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN COc1nc(C#N)cc2ccc(C)cc12 214096287 571714361 /nfs/dbraw/zinc/71/43/61/571714361.db2.gz ODKZVAQBMLYIRM-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CC[C@@H](C)N[C@@](C)(C#N)C(C)C 38064234 571714502 /nfs/dbraw/zinc/71/45/02/571714502.db2.gz UNRRMQGENWJBFQ-ZJUUUORDSA-N 0 0 168.284 2.313 10 30 AEEERN COc1ccc2cc(C)nc(C#N)c2c1 214096532 571714626 /nfs/dbraw/zinc/71/46/26/571714626.db2.gz CVZIYSXRKJHZPG-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CC[C@@H](C)N[C@](C)(C#N)C(C)C 38064236 571714912 /nfs/dbraw/zinc/71/49/12/571714912.db2.gz UNRRMQGENWJBFQ-NXEZZACHSA-N 0 0 168.284 2.313 10 30 AEEERN COc1ncc(C#N)c2c(C)cccc12 214095793 571714819 /nfs/dbraw/zinc/71/48/19/571714819.db2.gz LRHJYFNOJLOLDH-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN C=C[C@@H](C)ONCC1CC(F)(F)C1 401074149 571715275 /nfs/dbraw/zinc/71/52/75/571715275.db2.gz SSIHMYBAIKVUDC-SSDOTTSWSA-N 0 0 191.221 2.127 10 30 AEEERN COc1nc(C#N)cc2c(C)cccc12 214096209 571715282 /nfs/dbraw/zinc/71/52/82/571715282.db2.gz FYSKNRVEFOPXCJ-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN N#Cc1nc2cccnc2n1C1CCC1 214099379 571715335 /nfs/dbraw/zinc/71/53/35/571715335.db2.gz GPBMQAFNUAKBAL-UHFFFAOYSA-N 0 0 198.229 2.028 10 30 AEEERN COc1ncc(C#N)c2cc(C)ccc12 214095630 571715402 /nfs/dbraw/zinc/71/54/02/571715402.db2.gz LBBSELYCMASCDN-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN COc1nc(C#N)cc2cc(C)ccc12 214096116 571715440 /nfs/dbraw/zinc/71/54/40/571715440.db2.gz HJDWVEKNHZDXAF-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN C=CC/C=C/CCC(=O)OC 14616372 571716326 /nfs/dbraw/zinc/71/63/26/571716326.db2.gz WUNJOFRDOLDAOY-AATRIKPKSA-N 0 0 154.209 2.072 10 30 endogenous,in-man AEEERN C=C[C@@H](C)Oc1ccc(CCO)cc1 235269858 571716396 /nfs/dbraw/zinc/71/63/96/571716396.db2.gz GCHHHCCRZDOCBW-SNVBAGLBSA-N 0 0 192.258 2.175 10 30 AEEERN N#CCc1cccc2c1SCC2 214117346 571716593 /nfs/dbraw/zinc/71/65/93/571716593.db2.gz LZXPKAWVLZRHNM-UHFFFAOYSA-N 0 0 175.256 2.401 10 30 AEEERN Cc1ccc(C)c(CCC#N)c1O 214109502 571716788 /nfs/dbraw/zinc/71/67/88/571716788.db2.gz IMDDSPCMRNAPQP-UHFFFAOYSA-N 0 0 175.231 2.465 10 30 AEEERN C=C[C@@]1(C)C[C@@H]1C 230462688 571717128 /nfs/dbraw/zinc/71/71/28/571717128.db2.gz PJPXDUAJFMAWFC-BQBZGAKWSA-N 0 0 96.173 2.219 10 30 AEEERN N#Cc1ccccc1N1CC2CC(C2)C1 214112550 571717387 /nfs/dbraw/zinc/71/73/87/571717387.db2.gz DRXFFRCRYGJYHC-UHFFFAOYSA-N 0 0 198.269 2.404 10 30 AEEERN CC[C@H]1CC[C@](C#N)(NCC2CC2)C1 70644697 571717417 /nfs/dbraw/zinc/71/74/17/571717417.db2.gz XNOGTABBTZGQCF-JQWIXIFHSA-N 0 0 192.306 2.458 10 30 AEEERN CCCN[C@@]1(C#N)CC[C@H](CC)C1 70644559 571717420 /nfs/dbraw/zinc/71/74/20/571717420.db2.gz AASVPGHEUBWGEL-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN N#CCc1ccc2c(c1)SCC2 214117436 571717476 /nfs/dbraw/zinc/71/74/76/571717476.db2.gz UTKUJLAITAUWCW-UHFFFAOYSA-N 0 0 175.256 2.401 10 30 AEEERN C[C@@H]1CCc2oc(CC#N)cc2C1 214111400 571717649 /nfs/dbraw/zinc/71/76/49/571717649.db2.gz SHUCTUIBFWMZMM-MRVPVSSYSA-N 0 0 175.231 2.470 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@H](CC)C1 70644759 571717680 /nfs/dbraw/zinc/71/76/80/571717680.db2.gz DWDSDLXUNIVKCH-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN N#Cc1cccc(N2CC3CC(C3)C2)c1 214112392 571717800 /nfs/dbraw/zinc/71/78/00/571717800.db2.gz SWCXNSSXEXEMKF-UHFFFAOYSA-N 0 0 198.269 2.404 10 30 AEEERN CC(C)(C#N)c1cnn(C2CC2)c1 214113928 571717832 /nfs/dbraw/zinc/71/78/32/571717832.db2.gz DYMUTISUXUPWMN-UHFFFAOYSA-N 0 0 175.235 2.019 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@@H](CC)C1 70644758 571718083 /nfs/dbraw/zinc/71/80/83/571718083.db2.gz DWDSDLXUNIVKCH-GHMZBOCLSA-N 0 0 178.279 2.234 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)(NCC2CC2)C1 70644694 571718401 /nfs/dbraw/zinc/71/84/01/571718401.db2.gz XNOGTABBTZGQCF-ZYHUDNBSSA-N 0 0 192.306 2.458 10 30 AEEERN C=CCN[C@@]1(C#N)CC[C@H](CC)C1 70644761 571718435 /nfs/dbraw/zinc/71/84/35/571718435.db2.gz DWDSDLXUNIVKCH-QWRGUYRKSA-N 0 0 178.279 2.234 10 30 AEEERN CC[C@@H]1CC[C@](C#N)(NCC2CC2)C1 70644696 571718438 /nfs/dbraw/zinc/71/84/38/571718438.db2.gz XNOGTABBTZGQCF-PWSUYJOCSA-N 0 0 192.306 2.458 10 30 AEEERN N#CCc1c[nH]nc1C1CCCC1 214113080 571718460 /nfs/dbraw/zinc/71/84/60/571718460.db2.gz DQLQXIKTDAEIOZ-UHFFFAOYSA-N 0 0 175.235 2.133 10 30 AEEERN CCCN[C@@]1(C#N)CC[C@@H](CC)C1 70644561 571718790 /nfs/dbraw/zinc/71/87/90/571718790.db2.gz AASVPGHEUBWGEL-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CCCN[C@]1(C#N)CC[C@@H](CC)C1 70644560 571718945 /nfs/dbraw/zinc/71/89/45/571718945.db2.gz AASVPGHEUBWGEL-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@H]1CC[C@@](C#N)(NCC2CC2)C1 70644695 571718960 /nfs/dbraw/zinc/71/89/60/571718960.db2.gz XNOGTABBTZGQCF-CMPLNLGQSA-N 0 0 192.306 2.458 10 30 AEEERN C=CCN[C@@]1(C#N)CC[C@@H](CC)C1 70644760 571719130 /nfs/dbraw/zinc/71/91/30/571719130.db2.gz DWDSDLXUNIVKCH-MNOVXSKESA-N 0 0 178.279 2.234 10 30 AEEERN C=C1C[C@@H]2CCC[C@@H]12 116727543 571719254 /nfs/dbraw/zinc/71/92/54/571719254.db2.gz MTCUBGKVGNAIDX-YUMQZZPRSA-N 0 0 108.184 2.363 10 30 AEEERN C#CCCCC(=O)OCC[C@H](C)F 388670552 571719313 /nfs/dbraw/zinc/71/93/13/571719313.db2.gz XUSLVWKHMYCXPG-VIFPVBQESA-N 0 0 186.226 2.081 10 30 AEEERN COc1ccc(C)nc1[C@H](C)C#N 214129777 571719405 /nfs/dbraw/zinc/71/94/05/571719405.db2.gz PWUQDJKWKZYSEA-SSDOTTSWSA-N 0 0 176.219 2.026 10 30 AEEERN N#CCc1conc1C1CCCC1 214130623 571720059 /nfs/dbraw/zinc/72/00/59/571720059.db2.gz SVIRQXURMRIARJ-UHFFFAOYSA-N 0 0 176.219 2.398 10 30 AEEERN C#C[C@@](C)(O)c1cc(CC)cs1 116669221 571720415 /nfs/dbraw/zinc/72/04/15/571720415.db2.gz VDCSBHRCLSQYAP-SNVBAGLBSA-N 0 0 180.272 2.151 10 30 AEEERN COc1ccc(C)nc1[C@@H](C)C#N 214129718 571720513 /nfs/dbraw/zinc/72/05/13/571720513.db2.gz PWUQDJKWKZYSEA-ZETCQYMHSA-N 0 0 176.219 2.026 10 30 AEEERN C=CCC[C@@H](O)C(=O)c1ccccc1 168456738 571720806 /nfs/dbraw/zinc/72/08/06/571720806.db2.gz UYLGOOFXJMYKOL-LLVKDONJSA-N 0 0 190.242 2.196 10 30 AEEERN CCCCOC(=O)[C@@H](S)CC 118121127 571722274 /nfs/dbraw/zinc/72/22/74/571722274.db2.gz UKZBZXIUUOXNQI-ZETCQYMHSA-N 0 0 176.281 2.038 10 30 AEEERN C[C@H](O)C#C/C=C/c1ccccc1 116668542 571721038 /nfs/dbraw/zinc/72/10/38/571721038.db2.gz NUFGHMWERWMUQT-RUYJGKKWSA-N 0 0 172.227 2.084 10 30 AEEERN C[C@H]1C[C@H]1CNN=Cc1ccsc1 388670654 571721040 /nfs/dbraw/zinc/72/10/40/571721040.db2.gz XXGVRRUJUREHAO-WPRPVWTQSA-N 0 0 194.303 2.328 10 30 AEEERN Cc1noc(C2(C#N)CCC2)c1C 214130791 571721079 /nfs/dbraw/zinc/72/10/79/571721079.db2.gz QMHRLBHTJSWNBS-UHFFFAOYSA-N 0 0 176.219 2.237 10 30 AEEERN CN[C@@H](CC#CC(C)(C)C)C(F)F 300780246 571721106 /nfs/dbraw/zinc/72/11/06/571721106.db2.gz RLIOOROQJVMYAU-QMMMGPOBSA-N 0 0 189.249 2.279 10 30 AEEERN CC(C)[C@@H](CC=O)C1CC1 23811661 571724032 /nfs/dbraw/zinc/72/40/32/571724032.db2.gz MARUOHKHUIHLCR-SECBINFHSA-N 0 0 140.226 2.258 10 30 AEEERN CN1CC[C@H]1[C@@H](C#N)C1CCCCC1 214137997 571722457 /nfs/dbraw/zinc/72/24/57/571722457.db2.gz JGGHFLKFTWIWFC-RYUDHWBXSA-N 0 0 192.306 2.411 10 30 AEEERN C=CCC[C@H](O)C(=O)c1ccccc1 168456634 571722470 /nfs/dbraw/zinc/72/24/70/571722470.db2.gz UYLGOOFXJMYKOL-NSHDSACASA-N 0 0 190.242 2.196 10 30 AEEERN C#Cc1ccccc1[C@H](C)C#N 116703674 571722597 /nfs/dbraw/zinc/72/25/97/571722597.db2.gz USDRKBRDEFLJNK-SECBINFHSA-N 0 0 155.200 2.295 10 30 AEEERN Cc1cc([C@H](C)C#N)c(O)cc1O 214146850 571722813 /nfs/dbraw/zinc/72/28/13/571722813.db2.gz MCENQWYERJDAKE-SSDOTTSWSA-N 0 0 177.203 2.033 10 30 AEEERN C#Cc1ccccc1[C@@H](C)C#N 116703673 571723106 /nfs/dbraw/zinc/72/31/06/571723106.db2.gz USDRKBRDEFLJNK-VIFPVBQESA-N 0 0 155.200 2.295 10 30 AEEERN Cc1cc([C@@H](C)C#N)c(O)cc1O 214146819 571723616 /nfs/dbraw/zinc/72/36/16/571723616.db2.gz MCENQWYERJDAKE-ZETCQYMHSA-N 0 0 177.203 2.033 10 30 AEEERN C=C1CCCCC[C@@H]1CO 23702721 571724381 /nfs/dbraw/zinc/72/43/81/571724381.db2.gz RHYFSMXKNYCMEL-SECBINFHSA-N 0 0 140.226 2.115 10 30 AEEERN CCSC[C@@H](C#N)C(F)(F)F 233818330 571724403 /nfs/dbraw/zinc/72/44/03/571724403.db2.gz YEWLYJGTZUCCGK-RXMQYKEDSA-N 0 0 183.198 2.442 10 30 AEEERN C=CC[C@@]12C=CC=C[C@@H](C=C1)C2=O 220598850 571724433 /nfs/dbraw/zinc/72/44/33/571724433.db2.gz LBGFNTBRCFTJFJ-CMPLNLGQSA-N 0 0 172.227 2.430 10 30 AEEERN Cc1cccc(-c2noc(N)c2C#N)c1 11851102 571724582 /nfs/dbraw/zinc/72/45/82/571724582.db2.gz MZRYFTHYNZHHKU-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN CC(C)[C@H](CC=O)C1CC1 23811663 571725093 /nfs/dbraw/zinc/72/50/93/571725093.db2.gz MARUOHKHUIHLCR-VIFPVBQESA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)n1nccc1C(C)(C)C#N 214165316 571725217 /nfs/dbraw/zinc/72/52/17/571725217.db2.gz NRDFXANJPHZMEV-UHFFFAOYSA-N 0 0 177.251 2.265 10 30 AEEERN CCCCC(=O)C=CNC(C)C 214190909 571725244 /nfs/dbraw/zinc/72/52/44/571725244.db2.gz GFEZQKWFNXHSQK-BQYQJAHWSA-N 0 0 169.268 2.257 10 30 AEEERN CSc1ncccc1[C@H](C)C#N 214190296 571725293 /nfs/dbraw/zinc/72/52/93/571725293.db2.gz YCYSMCIZAPJYFX-SSDOTTSWSA-N 0 0 178.260 2.431 10 30 AEEERN Cc1nn(C(C)C)c(C)c1CC#N 214164256 571725314 /nfs/dbraw/zinc/72/53/14/571725314.db2.gz DBTDYRWWGKAGLD-UHFFFAOYSA-N 0 0 177.251 2.147 10 30 AEEERN N#CCc1ccc2c(c1)OCS2 214158458 571725684 /nfs/dbraw/zinc/72/56/84/571725684.db2.gz CHAYUKHXDBIHGQ-UHFFFAOYSA-N 0 0 177.228 2.195 10 30 AEEERN CSc1ncccc1CCC#N 214190381 571725781 /nfs/dbraw/zinc/72/57/81/571725781.db2.gz JGBMRRPBPAVWKD-UHFFFAOYSA-N 0 0 178.260 2.260 10 30 AEEERN CC(C)Cn1nccc1[C@@H](C)C#N 214165401 571726118 /nfs/dbraw/zinc/72/61/18/571726118.db2.gz HTJLTOAORWJILM-VIFPVBQESA-N 0 0 177.251 2.166 10 30 AEEERN N#CCc1cc2n(c1)CCCS2 214190150 571726335 /nfs/dbraw/zinc/72/63/35/571726335.db2.gz DHRPWWNSXYPTEM-UHFFFAOYSA-N 0 0 178.260 2.050 10 30 AEEERN CCCCCC(=O)N1CCC[C@H]1C#N 70662199 571727372 /nfs/dbraw/zinc/72/73/72/571727372.db2.gz NAWPWDPQEALEBY-JTQLQIEISA-N 0 0 194.278 2.081 10 30 AEEERN CCCCCC(=O)N1CCC[C@@H]1C#N 70662198 571727787 /nfs/dbraw/zinc/72/77/87/571727787.db2.gz NAWPWDPQEALEBY-SNVBAGLBSA-N 0 0 194.278 2.081 10 30 AEEERN CCCCC(=O)N1CCCC[C@@H]1C#N 70662589 571727822 /nfs/dbraw/zinc/72/78/22/571727822.db2.gz FVLOCFBIUNPGPY-SNVBAGLBSA-N 0 0 194.278 2.081 10 30 AEEERN Cc1nc([C@@H](C)C#N)sc1C 140226054 571727953 /nfs/dbraw/zinc/72/79/53/571727953.db2.gz FBTLQQOPZOQNJK-YFKPBYRVSA-N 0 0 166.249 2.387 10 30 AEEERN CCCCC(=O)N1CCCC[C@H]1C#N 70662590 571728035 /nfs/dbraw/zinc/72/80/35/571728035.db2.gz FVLOCFBIUNPGPY-JTQLQIEISA-N 0 0 194.278 2.081 10 30 AEEERN C=CC[C@H](/C=C\C)CC=O 165384787 571728089 /nfs/dbraw/zinc/72/80/89/571728089.db2.gz AXXDUGIQNVFOLM-XTULLQBASA-N 0 0 138.210 2.344 10 30 AEEERN CCC/C=C\[C@H](O)C#CC(F)(F)F 214170017 571728738 /nfs/dbraw/zinc/72/87/38/571728738.db2.gz HVMWGEZIRLXHLG-LGYSABEFSA-N 0 0 192.180 2.269 10 30 AEEERN CCN(C)C[C@@H](C#N)c1ccccc1 70836858 571729129 /nfs/dbraw/zinc/72/91/29/571729129.db2.gz SBRAAXGETIKKEE-GFCCVEGCSA-N 0 0 188.274 2.245 10 30 AEEERN CCC/C=C\[C@@H](O)C#CC(F)(F)F 214170064 571729180 /nfs/dbraw/zinc/72/91/80/571729180.db2.gz HVMWGEZIRLXHLG-PULIVWKDSA-N 0 0 192.180 2.269 10 30 AEEERN CCN(C)C[C@H](C#N)c1ccccc1 70836861 571729310 /nfs/dbraw/zinc/72/93/10/571729310.db2.gz SBRAAXGETIKKEE-LBPRGKRZSA-N 0 0 188.274 2.245 10 30 AEEERN Cc1ccc(C#CCO)c2ccccc12 70679891 571729572 /nfs/dbraw/zinc/72/95/72/571729572.db2.gz BUOVLKWDHFLEBP-UHFFFAOYSA-N 0 0 196.249 2.492 10 30 AEEERN CCCC[C@@H](C#CC(=O)OC)CC 70835068 571729752 /nfs/dbraw/zinc/72/97/52/571729752.db2.gz MAVHPHRPTUBOGR-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN Cc1cccc(OC[C@H](C)C=O)c1 214185406 571729888 /nfs/dbraw/zinc/72/98/88/571729888.db2.gz LCPKAQDKGPRVLZ-SNVBAGLBSA-N 0 0 178.231 2.209 10 30 AEEERN Cc1ccc(OC[C@H](C)C=O)cc1 214185270 571730149 /nfs/dbraw/zinc/73/01/49/571730149.db2.gz VXLHAMWBCNMKLV-SNVBAGLBSA-N 0 0 178.231 2.209 10 30 AEEERN C=CCNC[C@@H](C#N)c1ccccc1 70836076 571730216 /nfs/dbraw/zinc/73/02/16/571730216.db2.gz MATUMRYBHYVYAW-GFCCVEGCSA-N 0 0 186.258 2.069 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1ccc([N+](=O)[O-])o1 140386540 571730267 /nfs/dbraw/zinc/73/02/67/571730267.db2.gz RJBGPYAMGOPDOS-HZGVNTEJSA-N 0 0 197.190 2.043 10 30 AEEERN C=CCNC[C@H](C#N)c1ccccc1 70836079 571730805 /nfs/dbraw/zinc/73/08/05/571730805.db2.gz MATUMRYBHYVYAW-LBPRGKRZSA-N 0 0 186.258 2.069 10 30 AEEERN Cc1ccc(OC[C@@H](C)C=O)cc1 214185219 571731480 /nfs/dbraw/zinc/73/14/80/571731480.db2.gz VXLHAMWBCNMKLV-JTQLQIEISA-N 0 0 178.231 2.209 10 30 AEEERN C[C@@H]1CCN1c1ccc(C#N)c(C#N)c1 235293664 571731720 /nfs/dbraw/zinc/73/17/20/571731720.db2.gz VJSBQUVZMPYCDW-SECBINFHSA-N 0 0 197.241 2.029 10 30 AEEERN C=CC[C@@H](/C=C\C)CC=O 165384920 571731902 /nfs/dbraw/zinc/73/19/02/571731902.db2.gz AXXDUGIQNVFOLM-RNEXMXFGSA-N 0 0 138.210 2.344 10 30 AEEERN C[C@@H](Cc1cccs1)N[C@H](C)C#N 70850852 571732028 /nfs/dbraw/zinc/73/20/28/571732028.db2.gz YCULPGKUUZGKAQ-DTWKUNHWSA-N 0 0 194.303 2.181 10 30 AEEERN C[C@H](C#N)N[C@H](C)Cc1cccs1 70850855 571732085 /nfs/dbraw/zinc/73/20/85/571732085.db2.gz YCULPGKUUZGKAQ-RKDXNWHRSA-N 0 0 194.303 2.181 10 30 AEEERN O=C[C@H]1CCC2=C1CCC2 24409698 571732537 /nfs/dbraw/zinc/73/25/37/571732537.db2.gz QCWUBONHOKUSPF-MRVPVSSYSA-N 0 0 136.194 2.076 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)Cc1cccs1 70850849 571733197 /nfs/dbraw/zinc/73/31/97/571733197.db2.gz YCULPGKUUZGKAQ-IUCAKERBSA-N 0 0 194.303 2.181 10 30 AEEERN O=C(/C=C\CO)c1ccc(Cl)cc1 214207110 571733012 /nfs/dbraw/zinc/73/30/12/571733012.db2.gz ZWEYJFHNCYRELW-UPHRSURJSA-N 0 0 196.633 2.071 10 30 AEEERN C[C@@H](C#N)N[C@H](C)Cc1cccs1 70850850 571733115 /nfs/dbraw/zinc/73/31/15/571733115.db2.gz YCULPGKUUZGKAQ-BDAKNGLRSA-N 0 0 194.303 2.181 10 30 AEEERN CSc1ccc(O)c(CC#N)c1 214216314 571734390 /nfs/dbraw/zinc/73/43/90/571734390.db2.gz QRBRLJXSLFULBK-UHFFFAOYSA-N 0 0 179.244 2.180 10 30 AEEERN CC[C@@H](C#N)C(=O)[C@@H]1CC1(C)C 233835420 571734403 /nfs/dbraw/zinc/73/44/03/571734403.db2.gz RIWDYYWNUNHAJD-YUMQZZPRSA-N 0 0 165.236 2.151 10 30 AEEERN CC[C@@H](C#N)C(=O)[C@H]1CC1(C)C 233835494 571734771 /nfs/dbraw/zinc/73/47/71/571734771.db2.gz RIWDYYWNUNHAJD-JGVFFNPUSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H](C#N)c1cccc2[nH]cnc12 140417925 571734804 /nfs/dbraw/zinc/73/48/04/571734804.db2.gz KNHRPZZUBFXVSF-ZETCQYMHSA-N 0 0 171.203 2.190 10 30 AEEERN C=C(CCCO)[C@@H]1CC[C@@](C)(O)[C@@H]1C 13386847 571735574 /nfs/dbraw/zinc/73/55/74/571735574.db2.gz MLBPPDRXJFCPML-GRYCIOLGSA-N 0 0 198.306 2.112 10 30 AEEERN C=C(OCC)C1=CC(=O)CCC1 138792518 571736032 /nfs/dbraw/zinc/73/60/32/571736032.db2.gz BZUPCUMSNROYSW-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN Cc1cc(C#N)c(Br)o1 11920231 571736063 /nfs/dbraw/zinc/73/60/63/571736063.db2.gz GHZGPHVCYPAMRH-UHFFFAOYSA-N 0 0 186.008 2.222 10 30 AEEERN C#CC(C)(C)c1ccccc1O 196065015 571736867 /nfs/dbraw/zinc/73/68/67/571736867.db2.gz QIFZJNYCJFSYGO-UHFFFAOYSA-N 0 0 160.216 2.303 10 30 AEEERN CCC(=O)/C=C/C=C/[C@H](C)[C@@H](O)CC 214262716 571738684 /nfs/dbraw/zinc/73/86/84/571738684.db2.gz ZRSXBEYTFQCFGN-MCCOIUSVSA-N 0 0 196.290 2.485 10 30 AEEERN CCCC[C@H](C)c1nc(C#N)c(N)o1 301002098 571738686 /nfs/dbraw/zinc/73/86/86/571738686.db2.gz YCVUIPHCENAHHF-ZETCQYMHSA-N 0 0 193.250 2.422 10 30 AEEERN C=CCCC[C@H](NC)C(F)F 234416245 571737792 /nfs/dbraw/zinc/73/77/92/571737792.db2.gz GZKLEPFVEXBMMM-ZETCQYMHSA-N 0 0 163.211 2.196 10 30 AEEERN CCCC[C@@H](C)c1nc(C#N)c(N)o1 301002094 571737918 /nfs/dbraw/zinc/73/79/18/571737918.db2.gz YCVUIPHCENAHHF-SSDOTTSWSA-N 0 0 193.250 2.422 10 30 AEEERN CCCC#C[C@H](O)CCCC 196063287 571738199 /nfs/dbraw/zinc/73/81/99/571738199.db2.gz SMMBOGRIRFLHLF-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN CCC(=O)/C=C/C=C\[C@H](C)[C@@H](O)CC 214262661 571738365 /nfs/dbraw/zinc/73/83/65/571738365.db2.gz ZRSXBEYTFQCFGN-UZBWTQKVSA-N 0 0 196.290 2.485 10 30 AEEERN CCCCN(C)/C(C)=C/C(C)=O 214257417 571738898 /nfs/dbraw/zinc/73/88/98/571738898.db2.gz RSZZZFBUASBPSA-CMDGGOBGSA-N 0 0 169.268 2.211 10 30 AEEERN CSC(=CC(C)=O)[N-][N+]#N 214244803 571739018 /nfs/dbraw/zinc/73/90/18/571739018.db2.gz DUGSZFKRTQPZBC-HWKANZROSA-N 0 0 157.198 2.090 10 30 AEEERN C/C=C\CN1CCC[C@@](C)(C#N)C1 379352895 571742958 /nfs/dbraw/zinc/74/29/58/571742958.db2.gz DCNZXMRTKNZAPY-BYCRGOAPSA-N 0 0 178.279 2.188 10 30 AEEERN CCCC#C[C@@H](O)CCCC 196063276 571740688 /nfs/dbraw/zinc/74/06/88/571740688.db2.gz SMMBOGRIRFLHLF-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN CC[C@H](C)N(CC#N)[C@@H](C)CC 393335246 571740994 /nfs/dbraw/zinc/74/09/94/571740994.db2.gz BQRWAAGYTZITCE-UWVGGRQHSA-N 0 0 168.284 2.409 10 30 AEEERN C/N=C(\C)c1cc(Cl)ccc1O 24862911 571741474 /nfs/dbraw/zinc/74/14/74/571741474.db2.gz ZEWYBJQWBORBLQ-IZZDOVSWSA-N 0 0 183.638 2.484 10 30 AEEERN CC1(C)C[C@@H]1[C@@H](C#N)NC1CCC1 712320391 571741487 /nfs/dbraw/zinc/74/14/87/571741487.db2.gz XFDKIRCRKGQTFG-NXEZZACHSA-N 0 0 178.279 2.067 10 30 AEEERN COc1cccc2cc(C#N)cc(O)c12 13335476 571741493 /nfs/dbraw/zinc/74/14/93/571741493.db2.gz XEJZXZPIUBJAHT-UHFFFAOYSA-N 0 0 199.209 2.426 10 30 AEEERN CC[C@](C#N)(NC1CCC1)C1CC1 712315039 571741725 /nfs/dbraw/zinc/74/17/25/571741725.db2.gz AAAJWZCLUPCIDK-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN O=CC1(CCCCF)CCOCC1 317132093 571741736 /nfs/dbraw/zinc/74/17/36/571741736.db2.gz AHJQVRBHAQLDEW-UHFFFAOYSA-N 0 0 188.242 2.122 10 30 AEEERN Cc1cc(O)c(CC#N)c(Cl)c1 214290954 571745021 /nfs/dbraw/zinc/74/50/21/571745021.db2.gz ZOGWGLCTCPUCEL-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN C=C(C)CNN=Cc1ccc(Cl)o1 393416574 571741839 /nfs/dbraw/zinc/74/18/39/571741839.db2.gz BDDDRCRIYOFPMB-UHFFFAOYSA-N 0 0 198.653 2.433 10 30 AEEERN C[C@H](C=O)C1SCCCS1 196079862 571741907 /nfs/dbraw/zinc/74/19/07/571741907.db2.gz BTBMTHDPJBWLBW-ZCFIWIBFSA-N 0 0 176.306 2.018 10 30 AEEERN CC[C@H](C)N(CC#N)[C@H](C)CC 393335244 571741926 /nfs/dbraw/zinc/74/19/26/571741926.db2.gz BQRWAAGYTZITCE-AOOOYVTPSA-N 0 0 168.284 2.409 10 30 AEEERN C[C@@H](C=O)C1SCCCS1 196079853 571741942 /nfs/dbraw/zinc/74/19/42/571741942.db2.gz BTBMTHDPJBWLBW-LURJTMIESA-N 0 0 176.306 2.018 10 30 AEEERN CC(=O)C[C@]1(C)C=CC=C(C)C1=O 196069879 571741967 /nfs/dbraw/zinc/74/19/67/571741967.db2.gz MNBQSHQSYZTRGC-NSHDSACASA-N 0 0 178.231 2.057 10 30 AEEERN C=CC[C@]1(C)CCCC(=O)C1=O 196070069 571741979 /nfs/dbraw/zinc/74/19/79/571741979.db2.gz QQWOFEHCEYWIPJ-SNVBAGLBSA-N 0 0 166.220 2.374 10 30 AEEERN [N-]=[N+]=Nc1cnsc1 196080200 571742092 /nfs/dbraw/zinc/74/20/92/571742092.db2.gz HDUSDZLSZQRVHX-UHFFFAOYSA-N 0 0 126.144 2.085 10 30 AEEERN CCCN(CC#N)CCC(F)(F)F 70913416 571742144 /nfs/dbraw/zinc/74/21/44/571742144.db2.gz QFEHFFDVLHYUPL-UHFFFAOYSA-N 0 0 194.200 2.174 10 30 AEEERN C/C=C\CN1CCC[C@](C)(C#N)C1 379352896 571742146 /nfs/dbraw/zinc/74/21/46/571742146.db2.gz DCNZXMRTKNZAPY-DLRQAJBASA-N 0 0 178.279 2.188 10 30 AEEERN CC[C@@H](C)N(CC#N)[C@H](C)CC 393335245 571742410 /nfs/dbraw/zinc/74/24/10/571742410.db2.gz BQRWAAGYTZITCE-NXEZZACHSA-N 0 0 168.284 2.409 10 30 AEEERN C=CC[C@@]1(C)CCCC(=O)C1=O 196070056 571742476 /nfs/dbraw/zinc/74/24/76/571742476.db2.gz QQWOFEHCEYWIPJ-JTQLQIEISA-N 0 0 166.220 2.374 10 30 AEEERN CC1(C)C[C@@H]1[C@H](C#N)NC1CCC1 712320396 571742561 /nfs/dbraw/zinc/74/25/61/571742561.db2.gz XFDKIRCRKGQTFG-ZJUUUORDSA-N 0 0 178.279 2.067 10 30 AEEERN CC(C)N(CC#N)C(=O)CC(C)(C)C 70714939 571744997 /nfs/dbraw/zinc/74/49/97/571744997.db2.gz CEPCMMPIMYNQCT-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@](C#N)(NC1CCC1)C1CC1 712315042 571742923 /nfs/dbraw/zinc/74/29/23/571742923.db2.gz AAAJWZCLUPCIDK-NSHDSACASA-N 0 0 178.279 2.211 10 30 AEEERN CC(=O)OC1(/C(C)=N/O)CCCCC1 12341431 571742941 /nfs/dbraw/zinc/74/29/41/571742941.db2.gz IGSFTJIZUJMDFA-DHZHZOJOSA-N 0 0 199.250 2.103 10 30 AEEERN C=C[C@@H](C)[C@@H](O)C#Cc1ccccc1 196075324 571743176 /nfs/dbraw/zinc/74/31/76/571743176.db2.gz PENMQCUJBBBRDT-YPMHNXCESA-N 0 0 186.254 2.221 10 30 AEEERN CC1(C)C[C@H]1[C@H](C#N)NC1CCC1 712320392 571743180 /nfs/dbraw/zinc/74/31/80/571743180.db2.gz XFDKIRCRKGQTFG-UWVGGRQHSA-N 0 0 178.279 2.067 10 30 AEEERN C=CC#CC(=O)c1ccccc1 196079411 571743270 /nfs/dbraw/zinc/74/32/70/571743270.db2.gz AHVOQOSZZYKBIE-UHFFFAOYSA-N 0 0 156.184 2.059 10 30 AEEERN C=C[C@@H](C)[C@H](O)C#Cc1ccccc1 196075305 571743273 /nfs/dbraw/zinc/74/32/73/571743273.db2.gz PENMQCUJBBBRDT-DGCLKSJQSA-N 0 0 186.254 2.221 10 30 AEEERN CC(=O)C[C@@H]1CCC[C@H]1CC#N 196073762 571743281 /nfs/dbraw/zinc/74/32/81/571743281.db2.gz CLXXJLZUUBYFDH-UWVGGRQHSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C)C1CCC(=O)C1=O 196069999 571743315 /nfs/dbraw/zinc/74/33/15/571743315.db2.gz GQBMCHFBQGIJGX-UHFFFAOYSA-N 0 0 154.209 2.208 10 30 AEEERN C=C[C@H](C)[C@@H](O)C#Cc1ccccc1 196075317 571743321 /nfs/dbraw/zinc/74/33/21/571743321.db2.gz PENMQCUJBBBRDT-AAEUAGOBSA-N 0 0 186.254 2.221 10 30 AEEERN CC(C)N(CC#N)CCC(F)(F)F 70913456 571743339 /nfs/dbraw/zinc/74/33/39/571743339.db2.gz DMSUEMITSPULJR-UHFFFAOYSA-N 0 0 194.200 2.173 10 30 AEEERN CC(=O)C[C@@]1(C)C=CC=C(C)C1=O 196069897 571743345 /nfs/dbraw/zinc/74/33/45/571743345.db2.gz MNBQSHQSYZTRGC-LLVKDONJSA-N 0 0 178.231 2.057 10 30 AEEERN CC(=O)C[C@H]1CCC[C@@H]1CC#N 196073753 571743367 /nfs/dbraw/zinc/74/33/67/571743367.db2.gz CLXXJLZUUBYFDH-NXEZZACHSA-N 0 0 165.236 2.295 10 30 AEEERN C=CC[C@H](C(N)=O)c1cccc(C)c1 214279455 571743452 /nfs/dbraw/zinc/74/34/52/571743452.db2.gz QOVMPDWEUKSCQS-NSHDSACASA-N 0 0 189.258 2.140 10 30 AEEERN CC1(C)C[C@H]1[C@@H](C#N)NC1CCC1 712320394 571743512 /nfs/dbraw/zinc/74/35/12/571743512.db2.gz XFDKIRCRKGQTFG-VHSXEESVSA-N 0 0 178.279 2.067 10 30 AEEERN CCCCNC1=CCCCC1=O 196071744 571743680 /nfs/dbraw/zinc/74/36/80/571743680.db2.gz ZQRXQEHYWLVGPZ-UHFFFAOYSA-N 0 0 167.252 2.013 10 30 AEEERN C=C[C@H](C)[C@H](O)C#Cc1ccccc1 196075293 571743717 /nfs/dbraw/zinc/74/37/17/571743717.db2.gz PENMQCUJBBBRDT-WCQYABFASA-N 0 0 186.254 2.221 10 30 AEEERN C=C[C@H](NN)c1cccc(Cl)c1C 220628174 571743840 /nfs/dbraw/zinc/74/38/40/571743840.db2.gz IUHCBQBOVIABFS-JTQLQIEISA-N 0 0 196.681 2.339 10 30 AEEERN C=CCOC1=C(C)CCCC1=O 196070014 571743871 /nfs/dbraw/zinc/74/38/71/571743871.db2.gz HBRDOXOFIWBGDP-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C[C@@H](NN)c1cccc(Cl)c1C 220628114 571743981 /nfs/dbraw/zinc/74/39/81/571743981.db2.gz IUHCBQBOVIABFS-SNVBAGLBSA-N 0 0 196.681 2.339 10 30 AEEERN CCCCOCCN(CC#N)C(C)C 70715144 571745114 /nfs/dbraw/zinc/74/51/14/571745114.db2.gz CMYPMOTZFHDRBX-UHFFFAOYSA-N 0 0 198.310 2.037 10 30 AEEERN C=CCOc1cccc(C)c1O 196078892 571744045 /nfs/dbraw/zinc/74/40/45/571744045.db2.gz FFDBAPRZZDNSMI-UHFFFAOYSA-N 0 0 164.204 2.265 10 30 AEEERN CC(=O)C[C@@H]1CCC[C@@H]1CC#N 196073743 571744069 /nfs/dbraw/zinc/74/40/69/571744069.db2.gz CLXXJLZUUBYFDH-ZJUUUORDSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)C[C@H]1CCC[C@H]1CC#N 196073776 571744185 /nfs/dbraw/zinc/74/41/85/571744185.db2.gz CLXXJLZUUBYFDH-VHSXEESVSA-N 0 0 165.236 2.295 10 30 AEEERN Cc1cc(CC#N)cc(O)c1Cl 214290788 571744434 /nfs/dbraw/zinc/74/44/34/571744434.db2.gz UIBYXLPXHCNCKV-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN CC[C@@H](C)CN(CC#N)C(C)C 70715221 571744476 /nfs/dbraw/zinc/74/44/76/571744476.db2.gz HDGUCKTZKNIEAC-SNVBAGLBSA-N 0 0 168.284 2.266 10 30 AEEERN C[C@@H](C=O)COc1cccc(F)c1 214298550 571744505 /nfs/dbraw/zinc/74/45/05/571744505.db2.gz FMQCZMSEGAXCKO-QMMMGPOBSA-N 0 0 182.194 2.040 10 30 AEEERN CC(C)[C@@H](C)C(=O)N(CC#N)C(C)C 70714928 571744616 /nfs/dbraw/zinc/74/46/16/571744616.db2.gz XNQUGKKMSXRVMK-SNVBAGLBSA-N 0 0 196.294 2.039 10 30 AEEERN N#CCc1c(Cl)n[nH]c1C1CC1 214291965 571744719 /nfs/dbraw/zinc/74/47/19/571744719.db2.gz XYGAVXVANFQXAI-UHFFFAOYSA-N 0 0 181.626 2.007 10 30 AEEERN CC[C@H](C#N)N(CC1CC1)C1CC1 70736550 571744785 /nfs/dbraw/zinc/74/47/85/571744785.db2.gz DKIJJAUNMGRZFI-SNVBAGLBSA-N 0 0 178.279 2.163 10 30 AEEERN CC(C)COC(=O)N(CC#N)C(C)C 70714965 571744809 /nfs/dbraw/zinc/74/48/09/571744809.db2.gz UQCMKXPHZGPKAH-UHFFFAOYSA-N 0 0 198.266 2.013 10 30 AEEERN Cc1ccc(Cl)c(CC#N)c1O 214291124 571744862 /nfs/dbraw/zinc/74/48/62/571744862.db2.gz HQDGDBSPFCJPQA-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN CCCCCC[C@@H](O)CCC=O 13542643 571744897 /nfs/dbraw/zinc/74/48/97/571744897.db2.gz WZSRXMICLFXJHP-SNVBAGLBSA-N 0 0 172.268 2.297 10 30 AEEERN CC[C@H](C#N)N(CC#N)C1CCCC1 70715009 571744903 /nfs/dbraw/zinc/74/49/03/571744903.db2.gz PSVNNPGPAVGRBQ-SNVBAGLBSA-N 0 0 191.278 2.057 10 30 AEEERN C=CC[C@H](O)/C(C)=C\c1coc(C)n1 214288863 571744908 /nfs/dbraw/zinc/74/49/08/571744908.db2.gz ICVUXOWVJDYFBQ-JYKYSHPRSA-N 0 0 193.246 2.323 10 30 AEEERN C[C@H](C=O)COc1cccc(F)c1 214298489 571745031 /nfs/dbraw/zinc/74/50/31/571745031.db2.gz FMQCZMSEGAXCKO-MRVPVSSYSA-N 0 0 182.194 2.040 10 30 AEEERN CCc1cc(F)c(C#N)c(F)c1 201484699 571745204 /nfs/dbraw/zinc/74/52/04/571745204.db2.gz RHFBALJPQBDYQC-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CC(C)=CCN(CC#N)C(C)C 70715086 571745379 /nfs/dbraw/zinc/74/53/79/571745379.db2.gz SZZCFDVUWZLVLS-UHFFFAOYSA-N 0 0 166.268 2.187 10 30 AEEERN Cc1cc(O)c(Cl)cc1CC#N 214289870 571745448 /nfs/dbraw/zinc/74/54/48/571745448.db2.gz CNYQXCQUNPNTSR-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN C[C@@H](C=O)COc1ccccc1F 214298271 571745468 /nfs/dbraw/zinc/74/54/68/571745468.db2.gz GVOFDXBOSVLZPY-QMMMGPOBSA-N 0 0 182.194 2.040 10 30 AEEERN Cc1cc(Cl)cc(CC#N)c1O 214290044 571745593 /nfs/dbraw/zinc/74/55/93/571745593.db2.gz IUZOAEXTYFSGTF-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN Cc1c(O)cc(CC#N)cc1Cl 214290615 571745605 /nfs/dbraw/zinc/74/56/05/571745605.db2.gz CDXCJWPFCDEAET-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN Cc1c(Cl)ccc(O)c1CC#N 214290533 571745623 /nfs/dbraw/zinc/74/56/23/571745623.db2.gz HYUCKKZRJLKJKP-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN C=CC[C@@H](O)/C(C)=C/c1coc(C)n1 214288706 571745685 /nfs/dbraw/zinc/74/56/85/571745685.db2.gz ICVUXOWVJDYFBQ-LXSSAFMLSA-N 0 0 193.246 2.323 10 30 AEEERN CC(C)CCC(=O)N(CC#N)C(C)C 70714909 571745693 /nfs/dbraw/zinc/74/56/93/571745693.db2.gz BQJTXSBYLFRODA-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN CC(C)[C@H](C)C(=O)N(CC#N)C(C)C 70714929 571745697 /nfs/dbraw/zinc/74/56/97/571745697.db2.gz XNQUGKKMSXRVMK-JTQLQIEISA-N 0 0 196.294 2.039 10 30 AEEERN Cc1cc(O)cc(CC#N)c1Cl 214290869 571745700 /nfs/dbraw/zinc/74/57/00/571745700.db2.gz OMZSEOKNUFBBJE-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN C[C@@H](S)C(=O)OCC1CCCC1 235301400 571745846 /nfs/dbraw/zinc/74/58/46/571745846.db2.gz VXUAGNPWXDJRGA-SSDOTTSWSA-N 0 0 188.292 2.038 10 30 AEEERN CC[C@H](C)CN(CC#N)C(C)C 70715224 571745886 /nfs/dbraw/zinc/74/58/86/571745886.db2.gz HDGUCKTZKNIEAC-JTQLQIEISA-N 0 0 168.284 2.266 10 30 AEEERN N#C[C@@H](NC1CCC1)c1ccsc1 712346223 571745894 /nfs/dbraw/zinc/74/58/94/571745894.db2.gz RCNBIZPDSHORAZ-SNVBAGLBSA-N 0 0 192.287 2.455 10 30 AEEERN Cc1cc(O)c(CC#N)cc1Cl 214289778 571746003 /nfs/dbraw/zinc/74/60/03/571746003.db2.gz IIDAHPNPZNTFPG-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN CCC[C@@H](C)C(=O)N(CC#N)C(C)C 70714899 571746048 /nfs/dbraw/zinc/74/60/48/571746048.db2.gz UVWDEJAPUHPREC-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H](C#N)N(CC#N)C1CCCC1 70715007 571746074 /nfs/dbraw/zinc/74/60/74/571746074.db2.gz PSVNNPGPAVGRBQ-JTQLQIEISA-N 0 0 191.278 2.057 10 30 AEEERN CCC(C)(C)C(=O)N(CC#N)C(C)C 70714924 571746080 /nfs/dbraw/zinc/74/60/80/571746080.db2.gz FCOYZJKRBYHWOW-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN CC(C)(C)C#CC[C@@H](O)C1CC1 300757964 571746083 /nfs/dbraw/zinc/74/60/83/571746083.db2.gz NBVNNYKEIGAVJP-SNVBAGLBSA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@@H](C#N)N(CC1CC1)C1CC1 70736549 571746098 /nfs/dbraw/zinc/74/60/98/571746098.db2.gz DKIJJAUNMGRZFI-JTQLQIEISA-N 0 0 178.279 2.163 10 30 AEEERN CC#CCn1ccc2c(CO)cccc21 70735417 571746146 /nfs/dbraw/zinc/74/61/46/571746146.db2.gz RDNRVCBWHXZODB-UHFFFAOYSA-N 0 0 199.253 2.157 10 30 AEEERN C=C(C)CCOCC(=O)C(C)C 168856384 571746168 /nfs/dbraw/zinc/74/61/68/571746168.db2.gz GWBQYLBICWWVRR-UHFFFAOYSA-N 0 0 170.252 2.194 10 30 AEEERN CCCCCC[C@H](O)CCC=O 13542644 571746182 /nfs/dbraw/zinc/74/61/82/571746182.db2.gz WZSRXMICLFXJHP-JTQLQIEISA-N 0 0 172.268 2.297 10 30 AEEERN C=CC[C@H](O)/C(C)=C/c1coc(C)n1 214288814 571746203 /nfs/dbraw/zinc/74/62/03/571746203.db2.gz ICVUXOWVJDYFBQ-IOCXFXADSA-N 0 0 193.246 2.323 10 30 AEEERN CCCCCC[C@H](O)[C@@H]1O[C@H]1C 140834098 571746286 /nfs/dbraw/zinc/74/62/86/571746286.db2.gz ZPLXLLINVSRCIY-LPEHRKFASA-N 0 0 172.268 2.105 10 30 AEEERN C#CC1(OC(=O)NCC)CCCCC1 204910706 571746340 /nfs/dbraw/zinc/74/63/40/571746340.db2.gz MRDYJSKKLDHNBF-UHFFFAOYSA-N 0 0 195.262 2.069 10 30 AEEERN CCCCCC(=O)N(CC#N)C(C)C 70714887 571746450 /nfs/dbraw/zinc/74/64/50/571746450.db2.gz VSZXPKSHKOPIBU-UHFFFAOYSA-N 0 0 196.294 2.327 10 30 AEEERN Cc1cc(-c2ccc(C#N)cc2)n[nH]1 141000193 571746516 /nfs/dbraw/zinc/74/65/16/571746516.db2.gz UZHYOWQPVURWPX-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C=CC[C@@H](O)/C(C)=C\c1coc(C)n1 214288759 571746570 /nfs/dbraw/zinc/74/65/70/571746570.db2.gz ICVUXOWVJDYFBQ-BPOWMSRESA-N 0 0 193.246 2.323 10 30 AEEERN C[C@H](C=O)COc1ccc(F)cc1 214298345 571746584 /nfs/dbraw/zinc/74/65/84/571746584.db2.gz TWPFAXFZYOVDEY-MRVPVSSYSA-N 0 0 182.194 2.040 10 30 AEEERN Cc1ccc(CC#N)c(O)c1Cl 214290230 571746590 /nfs/dbraw/zinc/74/65/90/571746590.db2.gz KTQORYMENRWVHA-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN CCCCCC[C@@H]1O[C@H]1CCO 141097678 571746677 /nfs/dbraw/zinc/74/66/77/571746677.db2.gz RHBYHNQVAYJOFS-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN C[C@H](C=O)COc1ccccc1F 214298216 571746766 /nfs/dbraw/zinc/74/67/66/571746766.db2.gz GVOFDXBOSVLZPY-MRVPVSSYSA-N 0 0 182.194 2.040 10 30 AEEERN C[C@@H](C=O)COc1ccc(F)cc1 214298406 571746865 /nfs/dbraw/zinc/74/68/65/571746865.db2.gz TWPFAXFZYOVDEY-QMMMGPOBSA-N 0 0 182.194 2.040 10 30 AEEERN Cc1cc(Cl)c(O)cc1CC#N 214290698 571746867 /nfs/dbraw/zinc/74/68/67/571746867.db2.gz SMBISVFOHZQUDD-UHFFFAOYSA-N 0 0 181.622 2.420 10 30 AEEERN CSCCCC=NOCC(F)F 393419233 571746873 /nfs/dbraw/zinc/74/68/73/571746873.db2.gz HHISFIKBTAWRIJ-UHFFFAOYSA-N 0 0 197.250 2.397 10 30 AEEERN C[C@@H](S)C(=O)OCCC(C)(C)C 235301510 571746889 /nfs/dbraw/zinc/74/68/89/571746889.db2.gz PBYUDCKWCCSKQX-SSDOTTSWSA-N 0 0 190.308 2.284 10 30 AEEERN CCc1ccc(C#N)cc1[N+](=O)[O-] 83138674 571746973 /nfs/dbraw/zinc/74/69/73/571746973.db2.gz YLGMOECTKICALC-UHFFFAOYSA-N 0 0 176.175 2.029 10 30 AEEERN C=C(c1ccc(C#N)cc1)n1ccnc1 13827129 571747324 /nfs/dbraw/zinc/74/73/24/571747324.db2.gz FUFISTOVGRWOOB-UHFFFAOYSA-N 0 0 195.225 2.274 10 30 in-vivo AEEERN N#CCCc1cnc2cnccc2c1 214332944 571747394 /nfs/dbraw/zinc/74/73/94/571747394.db2.gz OPSCLXUDVBHXPB-UHFFFAOYSA-N 0 0 183.214 2.086 10 30 AEEERN N#CCCc1cncc2ccncc12 214333123 571747502 /nfs/dbraw/zinc/74/75/02/571747502.db2.gz OIEAMXYPNCXJLZ-UHFFFAOYSA-N 0 0 183.214 2.086 10 30 AEEERN C=CCCC[C@@H](C)N[C@H](C)C#N 398203024 571747517 /nfs/dbraw/zinc/74/75/17/571747517.db2.gz GKFKEQQRLCJOFQ-NXEZZACHSA-N 0 0 166.268 2.233 10 30 AEEERN O=CCCCc1ccccc1F 70738869 571747583 /nfs/dbraw/zinc/74/75/83/571747583.db2.gz HSBGTPQYNCFXGT-UHFFFAOYSA-N 0 0 166.195 2.347 10 30 AEEERN O=CCCCCCOCC(F)(F)F 70738931 571747654 /nfs/dbraw/zinc/74/76/54/571747654.db2.gz WISYFBXTQPUPFL-UHFFFAOYSA-N 0 0 198.184 2.325 10 30 AEEERN O=CCCCc1cccc(F)c1F 70738882 571748119 /nfs/dbraw/zinc/74/81/19/571748119.db2.gz IYQAISBFBPNOKN-UHFFFAOYSA-N 0 0 184.185 2.486 10 30 AEEERN C[C@@H](C#N)c1cnc2cnccc2c1 214332531 571748138 /nfs/dbraw/zinc/74/81/38/571748138.db2.gz LFFDWNXTAJVWRN-QMMMGPOBSA-N 0 0 183.214 2.257 10 30 AEEERN C[C@H](C#N)c1cncc2ccncc12 214332861 571748141 /nfs/dbraw/zinc/74/81/41/571748141.db2.gz IDXWCLRTNQFKDO-MRVPVSSYSA-N 0 0 183.214 2.257 10 30 AEEERN COC(C)(C)[C@@H](O)CC#CC(C)(C)C 300731024 571748142 /nfs/dbraw/zinc/74/81/42/571748142.db2.gz FQIHKNCWUMYWRN-JTQLQIEISA-N 0 0 198.306 2.212 10 30 AEEERN N#CCc1c(C2CC2)noc1Cl 214317412 571748158 /nfs/dbraw/zinc/74/81/58/571748158.db2.gz BRSFRAROIRYUIZ-UHFFFAOYSA-N 0 0 182.610 2.271 10 30 AEEERN N#CC1(c2cnc3cc[nH]c3c2)CC1 214332452 571748302 /nfs/dbraw/zinc/74/83/02/571748302.db2.gz JGJUVOZSFNDUJA-UHFFFAOYSA-N 0 0 183.214 2.118 10 30 AEEERN N#CCCc1cnc2ccncc2c1 214333038 571748393 /nfs/dbraw/zinc/74/83/93/571748393.db2.gz CCWBWQVSJROMEU-UHFFFAOYSA-N 0 0 183.214 2.086 10 30 AEEERN C#CCCCCC(=O)C1CC1 70739846 571748395 /nfs/dbraw/zinc/74/83/95/571748395.db2.gz IMCXHTIJHWRRMX-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C[C@@H](C#N)c1cncc2ccncc12 214332804 571748559 /nfs/dbraw/zinc/74/85/59/571748559.db2.gz IDXWCLRTNQFKDO-QMMMGPOBSA-N 0 0 183.214 2.257 10 30 AEEERN C[C@H](O)c1cccc([C@@H](C)C#N)c1 138819902 571748677 /nfs/dbraw/zinc/74/86/77/571748677.db2.gz MECBBDHYAPHAOC-IUCAKERBSA-N 0 0 175.231 2.367 10 30 AEEERN C[C@H](C#N)c1cnc2ccncc2c1 214332718 571748743 /nfs/dbraw/zinc/74/87/43/571748743.db2.gz OGKDTJXJPKXJAQ-MRVPVSSYSA-N 0 0 183.214 2.257 10 30 AEEERN C#CCCCCC(=O)C(C)C 70739616 571748831 /nfs/dbraw/zinc/74/88/31/571748831.db2.gz QCKRPEHVJRCRHD-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN C[C@H](C#N)c1cnc2cnccc2c1 214332584 571748926 /nfs/dbraw/zinc/74/89/26/571748926.db2.gz LFFDWNXTAJVWRN-MRVPVSSYSA-N 0 0 183.214 2.257 10 30 AEEERN C[C@@H]1CCCC(=O)[C@@]1(C)CCC=O 138819952 571749271 /nfs/dbraw/zinc/74/92/71/571749271.db2.gz OPIDPLZKQOFZAL-KOLCDFICSA-N 0 0 182.263 2.361 10 30 AEEERN C=C(C)c1ccc(CCO)cc1 205022099 571749378 /nfs/dbraw/zinc/74/93/78/571749378.db2.gz PZYUHNJHJJUFBE-UHFFFAOYSA-N 0 0 162.232 2.255 10 30 AEEERN N#CC1(c2cc3cnccc3o2)CC1 214370955 571750184 /nfs/dbraw/zinc/75/01/84/571750184.db2.gz WMCBXHHACMJDKO-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN O=C[C@@H](Cc1ccccc1)C(F)F 214366485 571750441 /nfs/dbraw/zinc/75/04/41/571750441.db2.gz BMNLFLXNQZOVOW-SECBINFHSA-N 0 0 184.185 2.309 10 30 AEEERN C=C1CC[C@@H](O)O[C@]1(C)CC(C)C 138825166 571750465 /nfs/dbraw/zinc/75/04/65/571750465.db2.gz BTECXNZQICIFAU-WDEREUQCSA-N 0 0 184.279 2.476 10 30 AEEERN CCSCC=NNC1CCCC1 393424039 571750468 /nfs/dbraw/zinc/75/04/68/571750468.db2.gz KTCBZQDLEBXEGI-UHFFFAOYSA-N 0 0 186.324 2.258 10 30 AEEERN C/C=C\CC/C=C\C(C)=O 214402237 571750521 /nfs/dbraw/zinc/75/05/21/571750521.db2.gz SCLVTEZFTRSXCE-KPDBFRNYSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC[C@@H](NC(=O)C=C)c1ccco1 214367453 571750538 /nfs/dbraw/zinc/75/05/38/571750538.db2.gz BIEJBXRLTBNASO-SECBINFHSA-N 0 0 191.230 2.199 10 30 AEEERN N#CC1(c2coc3cccnc23)CC1 214370624 571750622 /nfs/dbraw/zinc/75/06/22/571750622.db2.gz QEBKOYHQPPGRBL-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN CC12CCC(CC1)[C@](C)(CC=O)O2 138828529 571750693 /nfs/dbraw/zinc/75/06/93/571750693.db2.gz OFJPDEHDXLJBOU-ILDUYXDCSA-N 0 0 182.263 2.313 10 30 AEEERN O=C[C@H]1C=CC=C[C@]1(F)C(F)(F)F 138846924 571751713 /nfs/dbraw/zinc/75/17/13/571751713.db2.gz HANDOLCQOBWYJI-RNFRBKRXSA-N 0 0 194.127 2.198 10 30 AEEERN C[C@@H]1CC(=NOCC(F)F)[C@@H]1C 393424550 571750738 /nfs/dbraw/zinc/75/07/38/571750738.db2.gz FOTDPPISSNSVGZ-PHDIDXHHSA-N 0 0 177.194 2.300 10 30 AEEERN C/C=C/CC/C=C\C(C)=O 214402287 571750988 /nfs/dbraw/zinc/75/09/88/571750988.db2.gz SCLVTEZFTRSXCE-UTUPVWNLSA-N 0 0 138.210 2.488 10 30 AEEERN C=C1CC[C@H](O)O[C@]1(C)CC(C)C 138824951 571751128 /nfs/dbraw/zinc/75/11/28/571751128.db2.gz BTECXNZQICIFAU-GHMZBOCLSA-N 0 0 184.279 2.476 10 30 AEEERN N#CCc1ccc(-c2ncco2)cc1 214370462 571751132 /nfs/dbraw/zinc/75/11/32/571751132.db2.gz DIEYDWWMNCFRSY-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN CC(C)n1ncc(Cl)c1CC#N 214361999 571751180 /nfs/dbraw/zinc/75/11/80/571751180.db2.gz GIHQWYNYPRZHPZ-UHFFFAOYSA-N 0 0 183.642 2.183 10 30 AEEERN N#CC1(c2coc3cnccc23)CC1 214370791 571751210 /nfs/dbraw/zinc/75/12/10/571751210.db2.gz OYQNQVKTNBDNLQ-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN C[C@H]1CC(=NOCC(F)F)[C@H]1C 393424555 571751236 /nfs/dbraw/zinc/75/12/36/571751236.db2.gz FOTDPPISSNSVGZ-WDSKDSINSA-N 0 0 177.194 2.300 10 30 AEEERN C/C=C\CC/C=C/C(C)=O 214402338 571751255 /nfs/dbraw/zinc/75/12/55/571751255.db2.gz SCLVTEZFTRSXCE-ODYTWBPASA-N 0 0 138.210 2.488 10 30 AEEERN C=C[C@H]1c2ccccc2CC[C@@H]1O 138829774 571751314 /nfs/dbraw/zinc/75/13/14/571751314.db2.gz RZLGMGAKMHHDKO-JQWIXIFHSA-N 0 0 174.243 2.263 10 30 AEEERN Cn1cccc1-c1ccc(CC#N)[nH]1 214412394 571754002 /nfs/dbraw/zinc/75/40/02/571754002.db2.gz NHEVUAVTKVNJAL-UHFFFAOYSA-N 0 0 185.230 2.086 10 30 AEEERN CCn1ncc([C@@H](C)C#N)c1Cl 214362829 571751618 /nfs/dbraw/zinc/75/16/18/571751618.db2.gz CTLWQBMCEFVLOL-LURJTMIESA-N 0 0 183.642 2.183 10 30 AEEERN C=CCOC(=O)NC1CCCCC1 38282491 571754075 /nfs/dbraw/zinc/75/40/75/571754075.db2.gz XCLLTFIVJLOSRS-UHFFFAOYSA-N 0 0 183.251 2.231 10 30 AEEERN C=C[C@H](F)[C@H](CO)Cc1ccccc1 38246917 571751728 /nfs/dbraw/zinc/75/17/28/571751728.db2.gz FXLQPOYRWGDARO-RYUDHWBXSA-N 0 0 194.249 2.362 10 30 AEEERN C[C@H]1CC(=NOCC(F)F)[C@@H]1C 393424546 571752160 /nfs/dbraw/zinc/75/21/60/571752160.db2.gz FOTDPPISSNSVGZ-NTSWFWBYSA-N 0 0 177.194 2.300 10 30 AEEERN C=C1CC[C@H](O)O[C@@]1(C)CC(C)C 138825057 571752288 /nfs/dbraw/zinc/75/22/88/571752288.db2.gz BTECXNZQICIFAU-MNOVXSKESA-N 0 0 184.279 2.476 10 30 AEEERN CC(C)n1ncc(CC#N)c1Cl 214363051 571752292 /nfs/dbraw/zinc/75/22/92/571752292.db2.gz VCMYENVVOGPTCF-UHFFFAOYSA-N 0 0 183.642 2.183 10 30 AEEERN O=C[C@H](Cc1ccccc1)C(F)F 214366427 571752348 /nfs/dbraw/zinc/75/23/48/571752348.db2.gz BMNLFLXNQZOVOW-VIFPVBQESA-N 0 0 184.185 2.309 10 30 AEEERN C#CC#CCCCCCCCCO 38212637 571752408 /nfs/dbraw/zinc/75/24/08/571752408.db2.gz IWRYQZSDVWLMOX-UHFFFAOYSA-N 0 0 178.275 2.346 10 30 AEEERN N#CC1(c2coc3ccncc23)CC1 214370706 571752436 /nfs/dbraw/zinc/75/24/36/571752436.db2.gz OHLXRIUTMAPRIW-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN C=C1CC[C@@H](O)O[C@@]1(C)CC(C)C 138825309 571752459 /nfs/dbraw/zinc/75/24/59/571752459.db2.gz BTECXNZQICIFAU-QWRGUYRKSA-N 0 0 184.279 2.476 10 30 AEEERN CCn1ncc([C@H](C)C#N)c1Cl 214362884 571752490 /nfs/dbraw/zinc/75/24/90/571752490.db2.gz CTLWQBMCEFVLOL-ZCFIWIBFSA-N 0 0 183.642 2.183 10 30 AEEERN N#CC1(c2cc3cccnc3o2)CC1 214371128 571752640 /nfs/dbraw/zinc/75/26/40/571752640.db2.gz ICHNPTSOTZINIA-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN N#CC1(c2cc3ccncc3o2)CC1 214371047 571752846 /nfs/dbraw/zinc/75/28/46/571752846.db2.gz ZOYOESPCNJLJLR-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN C=CC[C@@H]1[C@@H](C)CCC[C@@H]1O 205084246 571752853 /nfs/dbraw/zinc/75/28/53/571752853.db2.gz MXNNWRDKFQPYSS-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN Cc1nc2ccccn2c1CCC#N 214415083 571754576 /nfs/dbraw/zinc/75/45/76/571754576.db2.gz AVARUFYNOMDPSK-UHFFFAOYSA-N 0 0 185.230 2.099 10 30 AEEERN CCn1ncc(CCC#N)c1Cl 214362972 571752948 /nfs/dbraw/zinc/75/29/48/571752948.db2.gz QNWIJVRCCAZNJZ-UHFFFAOYSA-N 0 0 183.642 2.013 10 30 AEEERN N#CCc1cccc(-c2ncco2)c1 214370302 571753056 /nfs/dbraw/zinc/75/30/56/571753056.db2.gz KTOMMRKIQQJAQN-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN Cc1ccn2c(C)c(CC#N)nc2c1 214412553 571754592 /nfs/dbraw/zinc/75/45/92/571754592.db2.gz XWEWARDJWISESW-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN CC(C)c1[nH]nc(Cl)c1CC#N 214362086 571753268 /nfs/dbraw/zinc/75/32/68/571753268.db2.gz PHKJULKOCBFXGR-UHFFFAOYSA-N 0 0 183.642 2.253 10 30 AEEERN CC#CCCC[C@H](O)CCC 70774773 571753312 /nfs/dbraw/zinc/75/33/12/571753312.db2.gz WYGYQMCQMDRHOQ-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN CCCCCC#C[C@H](O)[C@H]1CS1 214446038 571753685 /nfs/dbraw/zinc/75/36/85/571753685.db2.gz MEOASFFBFLIUKB-VHSXEESVSA-N 0 0 184.304 2.046 10 30 AEEERN C[C@H](C#N)N1CC[C@H](C2CCCC2)C1 335496526 571753799 /nfs/dbraw/zinc/75/37/99/571753799.db2.gz SRGMEJXGWGRBSB-PWSUYJOCSA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H]1C=C[C@H](C)[C@H](C=O)[C@@H]1C 205062984 571753839 /nfs/dbraw/zinc/75/38/39/571753839.db2.gz ITRNPAHSAMWGNA-RGOKHQFPSA-N 0 0 152.237 2.280 10 30 AEEERN Cc1cccn2c(C)nc(CC#N)c12 214412870 571754010 /nfs/dbraw/zinc/75/40/10/571754010.db2.gz SPRYCCQTBMUPMQ-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN C=C(COCCC)[C@@]1(O)CC[C@@H]1C 387505404 571754032 /nfs/dbraw/zinc/75/40/32/571754032.db2.gz GZLFJRYFDOWURM-GXSJLCMTSA-N 0 0 184.279 2.130 10 30 AEEERN Cn1c(CC#N)ccc1-c1ccc[nH]1 214412472 571754057 /nfs/dbraw/zinc/75/40/57/571754057.db2.gz KTGJRRZMJSDOMY-UHFFFAOYSA-N 0 0 185.230 2.086 10 30 AEEERN C=CCC[C@H](O)c1ccc(F)nc1 686117970 571754349 /nfs/dbraw/zinc/75/43/49/571754349.db2.gz HODNVROPNCRUTN-VIFPVBQESA-N 0 0 181.210 2.220 10 30 AEEERN C[C@@H](C#N)c1cnc2ccn(C)c2c1 214414861 571755068 /nfs/dbraw/zinc/75/50/68/571755068.db2.gz LNSPIVQDCLXBIE-QMMMGPOBSA-N 0 0 185.230 2.200 10 30 AEEERN C=C(C#CC)N(C)C(=O)OC(C)(C)C 138847286 571754407 /nfs/dbraw/zinc/75/44/07/571754407.db2.gz ZKHVWWKJZXNUBD-UHFFFAOYSA-N 0 0 195.262 2.390 10 30 AEEERN Cc1c(CC#N)[nH]c2c(O)cccc12 214446221 571754435 /nfs/dbraw/zinc/75/44/35/571754435.db2.gz WMECAEOZSNKSAL-UHFFFAOYSA-N 0 0 186.214 2.248 10 30 AEEERN CCCCCC#C[C@@H](O)[C@H]1CS1 214446097 571754441 /nfs/dbraw/zinc/75/44/41/571754441.db2.gz MEOASFFBFLIUKB-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN COc1ccc2c(c1)CC[C@H]2CC=O 168888029 571754487 /nfs/dbraw/zinc/75/44/87/571754487.db2.gz QWHSCPWPVCPRBM-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN N#CCc1ccoc1Br 214437617 571754683 /nfs/dbraw/zinc/75/46/83/571754683.db2.gz SHVQDGWJWBMJPA-UHFFFAOYSA-N 0 0 186.008 2.108 10 30 AEEERN Cc1nc2ccc(CC#N)cn2c1C 214413769 571755815 /nfs/dbraw/zinc/75/58/15/571755815.db2.gz USIRMUSCVJGOOP-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN Cc1nc2c(CC#N)cccn2c1C 214413937 571754807 /nfs/dbraw/zinc/75/48/07/571754807.db2.gz KHHMBGJEIIQMDI-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2S 38251526 571754846 /nfs/dbraw/zinc/75/48/46/571754846.db2.gz LOMPQMWIMBEFQB-DQUBFYRCSA-N 0 0 186.320 2.102 10 30 AEEERN Cc1cccc2c(CC#N)nc(C)n12 214413113 571754893 /nfs/dbraw/zinc/75/48/93/571754893.db2.gz ZIJLAOJOJVNJRP-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN CC(C)(C#N)c1cnc2cc[nH]c2c1 214414787 571754978 /nfs/dbraw/zinc/75/49/78/571754978.db2.gz WUUFHJWPOSKVJA-UHFFFAOYSA-N 0 0 185.230 2.364 10 30 AEEERN C[C@@H](C#N)N1CC[C@H](C2CCCC2)C1 335496525 571755009 /nfs/dbraw/zinc/75/50/09/571755009.db2.gz SRGMEJXGWGRBSB-JQWIXIFHSA-N 0 0 192.306 2.411 10 30 AEEERN C#CCCCC[C@@H](O)C(C)C 70778432 571755092 /nfs/dbraw/zinc/75/50/92/571755092.db2.gz BAIAVDOUMUYXBS-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN Cc1nc2cccc(CC#N)n2c1C 214413694 571755095 /nfs/dbraw/zinc/75/50/95/571755095.db2.gz PQVGLPXQRVVBLF-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN Cc1[nH]c2c(O)cccc2c1CC#N 214446288 571755131 /nfs/dbraw/zinc/75/51/31/571755131.db2.gz QULSPAZTHHXDCB-UHFFFAOYSA-N 0 0 186.214 2.248 10 30 AEEERN C[C@H](C#N)c1cnc2ccn(C)c2c1 214414916 571755261 /nfs/dbraw/zinc/75/52/61/571755261.db2.gz LNSPIVQDCLXBIE-MRVPVSSYSA-N 0 0 185.230 2.200 10 30 AEEERN CN(CCC1CCC1)C1=CC(=O)CC1 688684559 571755310 /nfs/dbraw/zinc/75/53/10/571755310.db2.gz VFEXYXMKSXPJGB-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN COc1ccc2c(c1)C[C@@H]2CCC=O 38283369 571755408 /nfs/dbraw/zinc/75/54/08/571755408.db2.gz MHDVNPVTZBMALU-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN Cn1ccc2ncc(CCC#N)cc21 214415000 571755525 /nfs/dbraw/zinc/75/55/25/571755525.db2.gz NZJUQMACPIXDDD-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN Cc1nc2cc(CC#N)ccn2c1C 214413857 571755557 /nfs/dbraw/zinc/75/55/57/571755557.db2.gz OHCJLGNIRBRPRK-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN C=CCC[C@@H](O)c1ccc(F)nc1 686117967 571755721 /nfs/dbraw/zinc/75/57/21/571755721.db2.gz HODNVROPNCRUTN-SECBINFHSA-N 0 0 181.210 2.220 10 30 AEEERN Cc1ccc2c(CC#N)nc(C)n2c1 214413033 571755668 /nfs/dbraw/zinc/75/56/68/571755668.db2.gz BUUJVSKIEVNLSC-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN C[C@H](C#N)N1CC[C@@H](C2CCCC2)C1 335496527 571755935 /nfs/dbraw/zinc/75/59/35/571755935.db2.gz SRGMEJXGWGRBSB-ZYHUDNBSSA-N 0 0 192.306 2.411 10 30 AEEERN Cc1c(CC#N)[nH]c2ccc(O)cc12 214446138 571755936 /nfs/dbraw/zinc/75/59/36/571755936.db2.gz ARWAWHHRJGYGRK-UHFFFAOYSA-N 0 0 186.214 2.248 10 30 AEEERN C=CC[C@H]1[C@@H](O)CCC[C@H]1C 205084233 571755958 /nfs/dbraw/zinc/75/59/58/571755958.db2.gz MXNNWRDKFQPYSS-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN Cc1[nH]c2c(c1C1(C#N)CC1)CCC2 214459029 571758264 /nfs/dbraw/zinc/75/82/64/571758264.db2.gz RANCYDZDUHWWGS-UHFFFAOYSA-N 0 0 186.258 2.367 10 30 AEEERN C=C(COCCC)[C@@](C)(O)C1CC1 387506019 571756112 /nfs/dbraw/zinc/75/61/12/571756112.db2.gz HCJROKYMVKPKMF-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H](C2CCCC2)C1 335496524 571756123 /nfs/dbraw/zinc/75/61/23/571756123.db2.gz SRGMEJXGWGRBSB-CMPLNLGQSA-N 0 0 192.306 2.411 10 30 AEEERN C#CCCCC[C@H](O)C(C)C 70778436 571756158 /nfs/dbraw/zinc/75/61/58/571756158.db2.gz BAIAVDOUMUYXBS-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C=C(Br)CC/C=C/CO 205096629 571756272 /nfs/dbraw/zinc/75/62/72/571756272.db2.gz XVDPXFZUSQDFFI-DUXPYHPUSA-N 0 0 191.068 2.224 10 30 AEEERN N#CCc1cncc2c1CCCCC2 214458469 571756587 /nfs/dbraw/zinc/75/65/87/571756587.db2.gz GJFASWVQSMMOFT-UHFFFAOYSA-N 0 0 186.258 2.417 10 30 AEEERN C[C@H](C#N)c1ccc2c(c1)CN(C)C2 214459240 571756879 /nfs/dbraw/zinc/75/68/79/571756879.db2.gz MNMALWKAUFVUIR-SECBINFHSA-N 0 0 186.258 2.259 10 30 AEEERN C[C@H](C#N)c1ccccc1F 37245461 571756911 /nfs/dbraw/zinc/75/69/11/571756911.db2.gz XIKDFPBWNXGBFT-SSDOTTSWSA-N 0 0 149.168 2.453 10 30 AEEERN Cc1cc(C=NO)c(C)n1C1CC1 379365817 571756912 /nfs/dbraw/zinc/75/69/12/571756912.db2.gz PZXFVETZTAWRJC-UHFFFAOYSA-N 0 0 178.235 2.248 10 30 AEEERN O[C@]1(CC[C@@H]2CO2)C[C@H]2CCCC[C@@H]21 712422981 571757093 /nfs/dbraw/zinc/75/70/93/571757093.db2.gz XEDUJRLGIPAXBW-WISYIIOYSA-N 0 0 196.290 2.107 10 30 AEEERN COc1ccc([C@H]2O[C@H]2C)cc1OC 14680010 571757213 /nfs/dbraw/zinc/75/72/13/571757213.db2.gz UCJMTGYVYMNVLZ-CPCISQLKSA-N 0 0 194.230 2.164 10 30 AEEERN CN1CCCc2c(CC#N)cccc21 214458793 571757454 /nfs/dbraw/zinc/75/74/54/571757454.db2.gz NWNZTDPPQULLOW-UHFFFAOYSA-N 0 0 186.258 2.135 10 30 AEEERN O=C1CC[C@H]2CCCC=C12 25911787 571757518 /nfs/dbraw/zinc/75/75/18/571757518.db2.gz JRZTUUICGWFQIU-SSDOTTSWSA-N 0 0 136.194 2.076 10 30 AEEERN CN1CCCc2ccc(CC#N)cc21 214458865 571757528 /nfs/dbraw/zinc/75/75/28/571757528.db2.gz YESORQBHENPVNA-UHFFFAOYSA-N 0 0 186.258 2.135 10 30 AEEERN C[C@@H](C#N)c1ccc2c(c1)CN(C)C2 214459187 571757536 /nfs/dbraw/zinc/75/75/36/571757536.db2.gz MNMALWKAUFVUIR-VIFPVBQESA-N 0 0 186.258 2.259 10 30 AEEERN O[C@]1(CC[C@@H]2CO2)C[C@@H]2CCCC[C@@H]21 712422980 571757644 /nfs/dbraw/zinc/75/76/44/571757644.db2.gz XEDUJRLGIPAXBW-WHOHXGKFSA-N 0 0 196.290 2.107 10 30 AEEERN C[C@@]12CC[C@@H](COC1)[C@@]2(C)CC#N 306867657 571757661 /nfs/dbraw/zinc/75/76/61/571757661.db2.gz PUTBGKFAHLDOLY-HBNTYKKESA-N 0 0 179.263 2.353 10 30 AEEERN C=CC[C@H]1C(=O)N(C)c2ccccc21 141576328 571757674 /nfs/dbraw/zinc/75/76/74/571757674.db2.gz SZDFNTAKIWFWKL-SNVBAGLBSA-N 0 0 187.242 2.323 10 30 AEEERN CN1CCCc2cccc(CC#N)c21 214458949 571757689 /nfs/dbraw/zinc/75/76/89/571757689.db2.gz VTRIOURKGVKQQB-UHFFFAOYSA-N 0 0 186.258 2.135 10 30 AEEERN C=C(C)[C@H]1CCC=C(C)C1=O 205113596 571757701 /nfs/dbraw/zinc/75/77/01/571757701.db2.gz UOJBBNZUUUWWDO-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@@H]1C(=O)N(C)c2ccccc21 141576148 571757768 /nfs/dbraw/zinc/75/77/68/571757768.db2.gz SZDFNTAKIWFWKL-JTQLQIEISA-N 0 0 187.242 2.323 10 30 AEEERN COc1ccc([C@@H]2O[C@H]2C)cc1OC 14680008 571757827 /nfs/dbraw/zinc/75/78/27/571757827.db2.gz UCJMTGYVYMNVLZ-WRWORJQWSA-N 0 0 194.230 2.164 10 30 AEEERN CC(C)[C@H](O)C[C@@]1(C=O)CC[C@@H](C)C1 317210841 571757845 /nfs/dbraw/zinc/75/78/45/571757845.db2.gz WCMMVQBZMZSSPF-IJLUTSLNSA-N 0 0 198.306 2.399 10 30 AEEERN N#CCC(CF)(C(F)F)C(F)F 214467740 571757882 /nfs/dbraw/zinc/75/78/82/571757882.db2.gz BBEBCSVEKLMEMQ-UHFFFAOYSA-N 0 0 187.111 2.386 10 30 AEEERN COCc1ccc(/C=C/C(C)=O)o1 14685373 571758037 /nfs/dbraw/zinc/75/80/37/571758037.db2.gz BPQSUBYBOQQEAD-ONEGZZNKSA-N 0 0 180.203 2.028 10 30 AEEERN S[C@@H]1C[C@@H]2CCCC[C@@H]21 712418532 571758079 /nfs/dbraw/zinc/75/80/79/571758079.db2.gz SAXSQNKZVSAUQS-BIIVOSGPSA-N 0 0 142.267 2.495 10 30 AEEERN C=CC[C@H](O)/C=C\C#CC#CCCC 14771378 571758373 /nfs/dbraw/zinc/75/83/73/571758373.db2.gz AAOBYDYOAZKODR-UKVQZPPCSA-N 0 0 188.270 2.287 10 30 AEEERN C=C(C)CN=NCCCCSC 393429223 571758503 /nfs/dbraw/zinc/75/85/03/571758503.db2.gz OYWCYWSBDFWMNG-UHFFFAOYSA-N 0 0 186.324 2.281 10 30 AEEERN S[C@@H]1C[C@@H]2CCCC[C@H]21 712418545 571758626 /nfs/dbraw/zinc/75/86/26/571758626.db2.gz SAXSQNKZVSAUQS-XLPZGREQSA-N 0 0 142.267 2.495 10 30 AEEERN CCC/C(Cl)=C/C(C)=O 205104055 571758662 /nfs/dbraw/zinc/75/86/62/571758662.db2.gz BLSIGVBVTZPWRH-ALCCZGGFSA-N 0 0 146.617 2.498 10 30 AEEERN S[C@@H]1C[C@H]2CCCC[C@@H]12 712418536 571758716 /nfs/dbraw/zinc/75/87/16/571758716.db2.gz SAXSQNKZVSAUQS-BWZBUEFSSA-N 0 0 142.267 2.495 10 30 AEEERN C=C(COC(C)C)[C@H](O)CC1CC1 387507273 571758840 /nfs/dbraw/zinc/75/88/40/571758840.db2.gz DTVXRZBEPWCRPM-LLVKDONJSA-N 0 0 184.279 2.129 10 30 AEEERN C=CCO[C@@H](C#N)c1ccccc1 141559081 571758875 /nfs/dbraw/zinc/75/88/75/571758875.db2.gz WHVGSDMCULJKET-NSHDSACASA-N 0 0 173.215 2.454 10 30 AEEERN C=CCCCC(=O)[C@@H](C)OCC 70828027 571758920 /nfs/dbraw/zinc/75/89/20/571758920.db2.gz RKIXSLQVPKLFPT-SECBINFHSA-N 0 0 170.252 2.337 10 30 AEEERN C=C(COC(C)C)[C@@H](O)CC1CC1 387507276 571759078 /nfs/dbraw/zinc/75/90/78/571759078.db2.gz DTVXRZBEPWCRPM-NSHDSACASA-N 0 0 184.279 2.129 10 30 AEEERN O=C1CC[C@@H]2CCCC=C12 25911781 571759224 /nfs/dbraw/zinc/75/92/24/571759224.db2.gz JRZTUUICGWFQIU-ZETCQYMHSA-N 0 0 136.194 2.076 10 30 AEEERN C=C(C)[C@@H]1CCC=C(C)C1=O 205113612 571759332 /nfs/dbraw/zinc/75/93/32/571759332.db2.gz UOJBBNZUUUWWDO-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@H](/C=C(\C)CO)C(=C)C 14583966 571759347 /nfs/dbraw/zinc/75/93/47/571759347.db2.gz NHJXCMQPMLBAMK-OLKPEBQYSA-N 0 0 152.237 2.303 10 30 AEEERN C=CC(=C)CC[C@@H](O)C(=C)C 14592257 571759918 /nfs/dbraw/zinc/75/99/18/571759918.db2.gz SQRIUUSIOSHZFA-SNVBAGLBSA-N 0 0 152.237 2.446 10 30 AEEERN S[C@@H]1C[C@H]2CCCC[C@H]12 712418541 571759936 /nfs/dbraw/zinc/75/99/36/571759936.db2.gz SAXSQNKZVSAUQS-GJMOJQLCSA-N 0 0 142.267 2.495 10 30 AEEERN C=CC(=C)CC[C@H](O)C(=C)C 14592256 571759953 /nfs/dbraw/zinc/75/99/53/571759953.db2.gz SQRIUUSIOSHZFA-JTQLQIEISA-N 0 0 152.237 2.446 10 30 AEEERN C=C(C)C[C@@H]1[C@H](CO)C1(C)C 205186273 571759954 /nfs/dbraw/zinc/75/99/54/571759954.db2.gz SOVZYPCUJWQTRI-BDAKNGLRSA-N 0 0 154.253 2.217 10 30 AEEERN C=CCCCC(=O)[C@H](C)OCC 70828022 571759976 /nfs/dbraw/zinc/75/99/76/571759976.db2.gz RKIXSLQVPKLFPT-VIFPVBQESA-N 0 0 170.252 2.337 10 30 AEEERN ON=Cc1c[nH]c2cc(F)ccc12 379361244 571760523 /nfs/dbraw/zinc/76/05/23/571760523.db2.gz CJKVHPKJDNKHQS-UHFFFAOYSA-N 0 0 178.166 2.115 10 30 AEEERN CC(C)(C#N)[C@H](F)C(F)(F)F 17431389 571760653 /nfs/dbraw/zinc/76/06/53/571760653.db2.gz DLSRRYHFMGCKCV-BYPYZUCNSA-N 0 0 169.121 2.437 10 30 AEEERN CC(C)(C#N)[C@@H](F)C(F)(F)F 17431386 571760877 /nfs/dbraw/zinc/76/08/77/571760877.db2.gz DLSRRYHFMGCKCV-SCSAIBSYSA-N 0 0 169.121 2.437 10 30 AEEERN CN(C(C)(C)C)C(C)(C)C#N 17433022 571761009 /nfs/dbraw/zinc/76/10/09/571761009.db2.gz BVTIBLHKPKHBEY-UHFFFAOYSA-N 0 0 154.257 2.019 10 30 AEEERN Cc1ccccc1C(=NN)C1CC1 379359620 571761163 /nfs/dbraw/zinc/76/11/63/571761163.db2.gz ZFTOKDFHGRUEMT-UHFFFAOYSA-N 0 0 174.247 2.068 10 30 AEEERN Cc1ncsc1C=Nn1cccc1 379361614 571761277 /nfs/dbraw/zinc/76/12/77/571761277.db2.gz CUYSSJGMJZNFTI-UHFFFAOYSA-N 0 0 191.259 2.135 10 30 AEEERN C#CCC(C)(C)/C=C\C(C)=O 17465478 571761450 /nfs/dbraw/zinc/76/14/50/571761450.db2.gz KNTLWELYUROTSW-VURMDHGXSA-N 0 0 150.221 2.181 10 30 AEEERN C=C(C)CN(CC)C(=O)C=C(C)C 15784773 571761714 /nfs/dbraw/zinc/76/17/14/571761714.db2.gz FDQVPYNRIYVPAC-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C=CCCC[C@@H](O)[C@H](C)OCC 70829877 571761813 /nfs/dbraw/zinc/76/18/13/571761813.db2.gz UZWHVYOLRLWRFR-VHSXEESVSA-N 0 0 172.268 2.129 10 30 AEEERN CC(C)(O)CC(C)(C)CC#N 17402420 571761846 /nfs/dbraw/zinc/76/18/46/571761846.db2.gz XMQQRJKEHPIBFC-UHFFFAOYSA-N 0 0 155.241 2.087 10 30 AEEERN C#CCCNc1nc(C)cc(C)c1C#N 70984805 571761878 /nfs/dbraw/zinc/76/18/78/571761878.db2.gz RKIWQSBJACAQBK-UHFFFAOYSA-N 0 0 199.257 2.005 10 30 AEEERN CC(C)C[C@@H](C)C[C@](C)(O)C=O 301003697 571761908 /nfs/dbraw/zinc/76/19/08/571761908.db2.gz XOKRDWWBAHRAJV-ZJUUUORDSA-N 0 0 172.268 2.009 10 30 AEEERN C=CCCC[C@H](O)[C@@H](C)OCC 70829889 571762186 /nfs/dbraw/zinc/76/21/86/571762186.db2.gz UZWHVYOLRLWRFR-ZJUUUORDSA-N 0 0 172.268 2.129 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CCC[C@@H]1C 70829728 571762373 /nfs/dbraw/zinc/76/23/73/571762373.db2.gz WKOUKILGKNDWHK-GUBZILKMSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)OC(=O)c1ccccc1 15784580 571762436 /nfs/dbraw/zinc/76/24/36/571762436.db2.gz FITUWTKWYLEKMX-SNVBAGLBSA-N 0 0 189.214 2.146 10 30 AEEERN C=C(C)CC(=O)OC(C)(C)C 17409823 571762447 /nfs/dbraw/zinc/76/24/47/571762447.db2.gz PRBPRDNKUSAATR-UHFFFAOYSA-N 0 0 156.225 2.294 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CCC[C@@H]1C 70829718 571762530 /nfs/dbraw/zinc/76/25/30/571762530.db2.gz WKOUKILGKNDWHK-LPEHRKFASA-N 0 0 166.268 2.067 10 30 AEEERN CC(C)(C)C#CCn1cccc1CO 300761409 571762540 /nfs/dbraw/zinc/76/25/40/571762540.db2.gz NSIODOPANJEHIS-UHFFFAOYSA-N 0 0 191.274 2.030 10 30 AEEERN CC(C)C[C@@H](C)C[C@@](C)(O)C=O 301003694 571762548 /nfs/dbraw/zinc/76/25/48/571762548.db2.gz XOKRDWWBAHRAJV-NXEZZACHSA-N 0 0 172.268 2.009 10 30 AEEERN C=CCOCc1ccc(O)c(OC)c1 113242442 571762622 /nfs/dbraw/zinc/76/26/22/571762622.db2.gz XKPADCVNBBGWMS-UHFFFAOYSA-N 0 0 194.230 2.103 10 30 AEEERN CC[C@@H](C#N)OC(=O)c1ccccc1 15784581 571762827 /nfs/dbraw/zinc/76/28/27/571762827.db2.gz FITUWTKWYLEKMX-JTQLQIEISA-N 0 0 189.214 2.146 10 30 AEEERN CC(C)C(=O)n1ccnc1N=[N+]=[N-] 205998170 571762868 /nfs/dbraw/zinc/76/28/68/571762868.db2.gz KRXIUCGPMDKVMV-UHFFFAOYSA-N 0 0 179.183 2.121 10 30 AEEERN N#CC[C@@H]1CCC[C@H]2C[C@@H]12 26321589 571762876 /nfs/dbraw/zinc/76/28/76/571762876.db2.gz IVFJKCJMDXLSOK-CIUDSAMLSA-N 0 0 135.210 2.336 10 30 AEEERN C=CCCC[C@H](O)[C@H](C)OCC 70829885 571763061 /nfs/dbraw/zinc/76/30/61/571763061.db2.gz UZWHVYOLRLWRFR-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN O/N=C\c1ccc(N2CCCC2)cc1 16401322 571763074 /nfs/dbraw/zinc/76/30/74/571763074.db2.gz LHLQIBZOQKKJHS-XFXZXTDPSA-N 0 0 190.246 2.095 10 30 AEEERN C=CCCC[C@@H](O)[C@@H](C)OCC 70829880 571763083 /nfs/dbraw/zinc/76/30/83/571763083.db2.gz UZWHVYOLRLWRFR-NXEZZACHSA-N 0 0 172.268 2.129 10 30 AEEERN CCC[C@H](C)OC(C)(C)C=O 17669865 571763413 /nfs/dbraw/zinc/76/34/13/571763413.db2.gz LWDZOUAKIJCWMH-QMMMGPOBSA-N 0 0 158.241 2.169 10 30 AEEERN C=CC(C)(C)CNCC(F)F 17619801 571763511 /nfs/dbraw/zinc/76/35/11/571763511.db2.gz YSOFKRLWYKSBTI-UHFFFAOYSA-N 0 0 163.211 2.053 10 30 AEEERN C#CCC(=O)CC(C)(C)CC 17675006 571763627 /nfs/dbraw/zinc/76/36/27/571763627.db2.gz ROMMOJLNGNANCE-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN CC(C)C[C@H](C)C[C@@](C)(O)C=O 301003696 571763693 /nfs/dbraw/zinc/76/36/93/571763693.db2.gz XOKRDWWBAHRAJV-VHSXEESVSA-N 0 0 172.268 2.009 10 30 AEEERN CC(C)OCCC(C)(C)C=O 17620304 571763853 /nfs/dbraw/zinc/76/38/53/571763853.db2.gz SENZEGGICQOBIP-UHFFFAOYSA-N 0 0 158.241 2.027 10 30 AEEERN CC(C)O[C@@H](C)C(C)(C)C#N 17705562 571763862 /nfs/dbraw/zinc/76/38/62/571763862.db2.gz UMIFXZLFDQPMRB-QMMMGPOBSA-N 0 0 155.241 2.350 10 30 AEEERN CC(C)C[C@H](C)C[C@](C)(O)C=O 301003695 571763866 /nfs/dbraw/zinc/76/38/66/571763866.db2.gz XOKRDWWBAHRAJV-UWVGGRQHSA-N 0 0 172.268 2.009 10 30 AEEERN CC(=O)/C=C\C(F)(F)C(F)F 17553635 571764012 /nfs/dbraw/zinc/76/40/12/571764012.db2.gz LQIJUGWTOVTPFD-IHWYPQMZSA-N 0 0 170.105 2.032 10 30 AEEERN CCO[C@@H](C)CC(C)(C)C#N 17669741 571764197 /nfs/dbraw/zinc/76/41/97/571764197.db2.gz UJDYIFIBOLZPSA-QMMMGPOBSA-N 0 0 155.241 2.351 10 30 AEEERN CCO[C@H](C)CC(C)(C)C#N 17669743 571764245 /nfs/dbraw/zinc/76/42/45/571764245.db2.gz UJDYIFIBOLZPSA-MRVPVSSYSA-N 0 0 155.241 2.351 10 30 AEEERN C#CC[C@H](O)CC(C)(C)CC 17668139 571764246 /nfs/dbraw/zinc/76/42/46/571764246.db2.gz NEVTVLHIOPYLLF-VIFPVBQESA-N 0 0 154.253 2.197 10 30 AEEERN CC(C)CCOC(C)(C)C=O 17620380 571764565 /nfs/dbraw/zinc/76/45/65/571764565.db2.gz NBGKPAMZNNREDH-UHFFFAOYSA-N 0 0 158.241 2.027 10 30 AEEERN C#CC[C@@H](O)CC(C)(C)CC 17668140 571764566 /nfs/dbraw/zinc/76/45/66/571764566.db2.gz NEVTVLHIOPYLLF-SECBINFHSA-N 0 0 154.253 2.197 10 30 AEEERN CCC(C)(C)CC(=O)CC#N 17673926 571764865 /nfs/dbraw/zinc/76/48/65/571764865.db2.gz LHUXFBXDJKSNNP-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN CC(C)COCC(C)(C)C#N 17620021 571764936 /nfs/dbraw/zinc/76/49/36/571764936.db2.gz XSIIXBFPVOGFRE-UHFFFAOYSA-N 0 0 155.241 2.209 10 30 AEEERN C=C(C)[C@@H](NC)C(F)(F)CC 17576017 571765000 /nfs/dbraw/zinc/76/50/00/571765000.db2.gz WQSPIUNBJXWTNJ-SSDOTTSWSA-N 0 0 163.211 2.196 10 30 AEEERN C=C(C)CNCC(F)(F)CC 17621550 571765122 /nfs/dbraw/zinc/76/51/22/571765122.db2.gz WAZGBGFLNIYQHF-UHFFFAOYSA-N 0 0 163.211 2.197 10 30 AEEERN CCC[C@@H](C)OC(C)(C)C=O 17669863 571765261 /nfs/dbraw/zinc/76/52/61/571765261.db2.gz LWDZOUAKIJCWMH-MRVPVSSYSA-N 0 0 158.241 2.169 10 30 AEEERN C=C(C)C[C@@H](O)C(F)(F)CC 17710696 571765878 /nfs/dbraw/zinc/76/58/78/571765878.db2.gz XDLKTDCNOONRFG-SSDOTTSWSA-N 0 0 164.195 2.359 10 30 AEEERN C=CCNc1[nH+]ccn1C[C@@H]1C[C@H]1C 235316134 571766023 /nfs/dbraw/zinc/76/60/23/571766023.db2.gz NDEQSWGAKZBASJ-ZJUUUORDSA-N 0 0 191.278 2.137 10 30 AEEERN CCC(=O)C1=C(O)CCCC1 18068886 571766638 /nfs/dbraw/zinc/76/66/38/571766638.db2.gz AUJPKVDXCHAAIL-BQYQJAHWSA-N 0 0 154.209 2.352 10 30 AEEERN C#C[C@H](O)/C(C=C)=C\c1ccccc1 142288426 571767064 /nfs/dbraw/zinc/76/70/64/571767064.db2.gz MDYVUWKNFVXIRF-UKVQZPPCSA-N 0 0 184.238 2.250 10 30 AEEERN C=CCN(CC=C)c1ccccn1 113255391 571767125 /nfs/dbraw/zinc/76/71/25/571767125.db2.gz AOLCGYKUKJGCFU-UHFFFAOYSA-N 0 0 174.247 2.260 10 30 AEEERN N#CC1C[C@@H]2CCC[C@H]2C1 18425573 571767152 /nfs/dbraw/zinc/76/71/52/571767152.db2.gz SLUQPGQBEOELSH-IUCAKERBSA-N 0 0 135.210 2.336 10 30 AEEERN CC=CC(=O)c1ccc2cccnc2n1 113254174 571767278 /nfs/dbraw/zinc/76/72/78/571767278.db2.gz KXHBHNOHGVEFRQ-UHFFFAOYSA-N 0 0 198.225 2.389 10 30 AEEERN C[C@H]1CC=CC[C@H]1COCC#N 26515650 571767760 /nfs/dbraw/zinc/76/77/60/571767760.db2.gz XUFIZSFGQHSRKX-UWVGGRQHSA-N 0 0 165.236 2.129 10 30 AEEERN Cc1nn(C[C@H](C)C#N)c(C)c1Cl 26545150 571767804 /nfs/dbraw/zinc/76/78/04/571767804.db2.gz FBKKFMMFTNMXBP-ZCFIWIBFSA-N 0 0 197.669 2.313 10 30 AEEERN N#C[C@@H](c1ccc[nH]1)C1CC1 19068710 571767887 /nfs/dbraw/zinc/76/78/87/571767887.db2.gz GVEKYIXDAVQTAY-MRVPVSSYSA-N 0 0 146.193 2.032 10 30 AEEERN C[C@@H]1CCc2c(CC#N)cccc2O1 214483947 571771742 /nfs/dbraw/zinc/77/17/42/571771742.db2.gz OTUQIFIAFMSONW-SECBINFHSA-N 0 0 187.242 2.466 10 30 AEEERN N#CC1C[C@H]2CCC[C@@H]2C1 18425572 571768512 /nfs/dbraw/zinc/76/85/12/571768512.db2.gz SLUQPGQBEOELSH-RKDXNWHRSA-N 0 0 135.210 2.336 10 30 AEEERN C=CCC(CC=C)(CC=C)C(N)=O 113255907 571768564 /nfs/dbraw/zinc/76/85/64/571768564.db2.gz KRFXAZONAZAJJZ-UHFFFAOYSA-N 0 0 179.263 2.186 10 30 AEEERN C[C@H]1CC=CC[C@@H]1COCC#N 26515646 571768681 /nfs/dbraw/zinc/76/86/81/571768681.db2.gz XUFIZSFGQHSRKX-VHSXEESVSA-N 0 0 165.236 2.129 10 30 AEEERN CSc1sc(C#N)cc1C#N 142176884 571769735 /nfs/dbraw/zinc/76/97/35/571769735.db2.gz ZVONMFSAIUVFIL-UHFFFAOYSA-N 0 0 180.257 2.213 10 30 AEEERN C[C@H]1CCc2c(CC#N)cccc2O1 214483997 571769915 /nfs/dbraw/zinc/76/99/15/571769915.db2.gz OTUQIFIAFMSONW-VIFPVBQESA-N 0 0 187.242 2.466 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@H](O)CC#CC(C)(C)C 300765641 571769973 /nfs/dbraw/zinc/76/99/73/571769973.db2.gz OQJMQMDEGBNNMV-VWYCJHECSA-N 0 0 180.291 2.443 10 30 AEEERN Cc1ccc(CC(C#N)C#N)cc1 26479182 571769974 /nfs/dbraw/zinc/76/99/74/571769974.db2.gz LGHKJZGOYCCNRY-UHFFFAOYSA-N 0 0 170.215 2.201 10 30 AEEERN C[C@@H]1Cc2cc(CCC#N)ccc2O1 214485023 571769994 /nfs/dbraw/zinc/76/99/94/571769994.db2.gz GYDBZFGGAVXABF-SECBINFHSA-N 0 0 187.242 2.466 10 30 AEEERN N#CCc1ccc([C@@H]2CCOC2)cc1 214483161 571770018 /nfs/dbraw/zinc/77/00/18/571770018.db2.gz XKDVLWIQCRERAG-GFCCVEGCSA-N 0 0 187.242 2.257 10 30 AEEERN CC1(C)Cc2ccc(CC#N)cc2O1 214483609 571770332 /nfs/dbraw/zinc/77/03/32/571770332.db2.gz DPNVCUANUMCISW-UHFFFAOYSA-N 0 0 187.242 2.466 10 30 AEEERN C/C(=C/Cl)CN1CCC[C@@H](C#N)C1 379300364 571771197 /nfs/dbraw/zinc/77/11/97/571771197.db2.gz MBKXZQYEECUSJA-BSKOKIOFSA-N 0 0 198.697 2.365 10 30 AEEERN C=C[C@H](NCCC)C(C)(F)F 18685636 571770739 /nfs/dbraw/zinc/77/07/39/571770739.db2.gz SVCRCCAZZHMCJM-ZETCQYMHSA-N 0 0 163.211 2.196 10 30 AEEERN N#CCc1cccc([C@H]2CCOC2)c1 214483338 571770756 /nfs/dbraw/zinc/77/07/56/571770756.db2.gz BZBIORGIHQORPZ-LBPRGKRZSA-N 0 0 187.242 2.257 10 30 AEEERN Cc1nn(C[C@@H](C)C#N)c(C)c1Cl 26545153 571770764 /nfs/dbraw/zinc/77/07/64/571770764.db2.gz FBKKFMMFTNMXBP-LURJTMIESA-N 0 0 197.669 2.313 10 30 AEEERN COc1cc2c(cc1CC#N)CCC2 214482842 571770871 /nfs/dbraw/zinc/77/08/71/571770871.db2.gz XMGWRNAXVLAYQY-UHFFFAOYSA-N 0 0 187.242 2.250 10 30 AEEERN C=CCN[C@H](CC)C(F)(F)F 18683974 571770888 /nfs/dbraw/zinc/77/08/88/571770888.db2.gz LVDMEEZDMXYJAP-ZCFIWIBFSA-N 0 0 167.174 2.103 10 30 AEEERN C[C@@H]1CC=CC[C@H]1COCC#N 26515648 571770914 /nfs/dbraw/zinc/77/09/14/571770914.db2.gz XUFIZSFGQHSRKX-ZJUUUORDSA-N 0 0 165.236 2.129 10 30 AEEERN C/C(=C/Cl)CN1CCC[C@H](C#N)C1 379300372 571770945 /nfs/dbraw/zinc/77/09/45/571770945.db2.gz MBKXZQYEECUSJA-HYHWUIIZSA-N 0 0 198.697 2.365 10 30 AEEERN N#CCc1c(O)ccc2c1CCCC2 214483082 571771003 /nfs/dbraw/zinc/77/10/03/571771003.db2.gz FCJPFWLEKPTGOK-UHFFFAOYSA-N 0 0 187.242 2.337 10 30 AEEERN Cc1cc(CC#N)cc2c1O[C@@H](C)C2 214485213 571771013 /nfs/dbraw/zinc/77/10/13/571771013.db2.gz UEUZUXXZIVMPAQ-VIFPVBQESA-N 0 0 187.242 2.385 10 30 AEEERN C=CCN[C@@H](CC)C(F)(F)F 18683975 571771271 /nfs/dbraw/zinc/77/12/71/571771271.db2.gz LVDMEEZDMXYJAP-LURJTMIESA-N 0 0 167.174 2.103 10 30 AEEERN C=CCOc1cccc(/C(C)=N/O)c1 19513562 571771605 /nfs/dbraw/zinc/77/16/05/571771605.db2.gz DVDPBBYTIBCGSY-FMIVXFBMSA-N 0 0 191.230 2.450 10 30 AEEERN N#CCc1cc2c(cc1O)CCCC2 214482926 571771693 /nfs/dbraw/zinc/77/16/93/571771693.db2.gz HPSYTBTURCDXSW-UHFFFAOYSA-N 0 0 187.242 2.337 10 30 AEEERN C[C@H]1CCc2cccc(CC#N)c2O1 214483738 571771804 /nfs/dbraw/zinc/77/18/04/571771804.db2.gz BBPOJGBLJDBEJL-VIFPVBQESA-N 0 0 187.242 2.466 10 30 AEEERN C=CC(C)(C)[C@@H](O)C(=C)C 196098426 571771908 /nfs/dbraw/zinc/77/19/08/571771908.db2.gz WUHHGNKOMQWYHW-QMMMGPOBSA-N 0 0 140.226 2.136 10 30 AEEERN C[C@H]1CCc2cc(CC#N)ccc2O1 214484131 571772009 /nfs/dbraw/zinc/77/20/09/571772009.db2.gz NCQYGXHUHVCFMT-VIFPVBQESA-N 0 0 187.242 2.466 10 30 AEEERN N#CCc1cccc([C@@H]2CCOC2)c1 214483284 571772060 /nfs/dbraw/zinc/77/20/60/571772060.db2.gz BZBIORGIHQORPZ-GFCCVEGCSA-N 0 0 187.242 2.257 10 30 AEEERN C=C(C)C[C@@H](O)C=C(C)C 196098478 571772143 /nfs/dbraw/zinc/77/21/43/571772143.db2.gz MUSFRWRDNFFJIA-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN N#CCc1ccc([C@H]2CCOC2)cc1 214483211 571772282 /nfs/dbraw/zinc/77/22/82/571772282.db2.gz XKDVLWIQCRERAG-LBPRGKRZSA-N 0 0 187.242 2.257 10 30 AEEERN C[C@@H]1CCc2ccc(CC#N)cc2O1 214483820 571772522 /nfs/dbraw/zinc/77/25/22/571772522.db2.gz LYPNXOGKARNUJO-SECBINFHSA-N 0 0 187.242 2.466 10 30 AEEERN CCc1ccc(N/C=N/O)cc1 26752570 571772564 /nfs/dbraw/zinc/77/25/64/571772564.db2.gz MBDCLNRSFGFOLO-UHFFFAOYSA-N 0 0 164.208 2.078 10 30 AEEERN C=C[C@@H](NCCC)C(C)(F)F 18685638 571772544 /nfs/dbraw/zinc/77/25/44/571772544.db2.gz SVCRCCAZZHMCJM-SSDOTTSWSA-N 0 0 163.211 2.196 10 30 AEEERN C[C@@H]1CCc2cccc(CC#N)c2O1 214483688 571772578 /nfs/dbraw/zinc/77/25/78/571772578.db2.gz BBPOJGBLJDBEJL-SECBINFHSA-N 0 0 187.242 2.466 10 30 AEEERN C[C@H]1CCc2ccc(CC#N)cc2O1 214483872 571772587 /nfs/dbraw/zinc/77/25/87/571772587.db2.gz LYPNXOGKARNUJO-VIFPVBQESA-N 0 0 187.242 2.466 10 30 AEEERN C=C(C)C[C@H](O)C=C(C)C 196098487 571772614 /nfs/dbraw/zinc/77/26/14/571772614.db2.gz MUSFRWRDNFFJIA-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN COc1ccc(CC#N)c2c1CCC2 214482529 571772636 /nfs/dbraw/zinc/77/26/36/571772636.db2.gz MTOPYMZWJPEOJI-UHFFFAOYSA-N 0 0 187.242 2.250 10 30 AEEERN COc1ccc2c(c1CC#N)CCC2 214483009 571772664 /nfs/dbraw/zinc/77/26/64/571772664.db2.gz WOERPIRRJQIVTB-UHFFFAOYSA-N 0 0 187.242 2.250 10 30 AEEERN Cc1nc(C2CCC2)ncc1CC#N 214491412 571772828 /nfs/dbraw/zinc/77/28/28/571772828.db2.gz HIAPFUBKLUAEFY-UHFFFAOYSA-N 0 0 187.246 2.119 10 30 AEEERN C[C@H](C#C[Si](C)(C)C)CC=O 196087385 571772874 /nfs/dbraw/zinc/77/28/74/571772874.db2.gz OGAVLVLSVZFKNE-VIFPVBQESA-N 0 0 168.312 2.092 10 30 AEEERN CC1(C)Cc2cc(CC#N)ccc2O1 214482210 571772886 /nfs/dbraw/zinc/77/28/86/571772886.db2.gz TWVVMJXCZXMOQG-UHFFFAOYSA-N 0 0 187.242 2.466 10 30 AEEERN C=C[C@@H](C)Oc1ccc(C)cc1CO 70956119 571772915 /nfs/dbraw/zinc/77/29/15/571772915.db2.gz CXMPDLSTRXWKMS-SNVBAGLBSA-N 0 0 192.258 2.441 10 30 AEEERN C=CC(C)(C)[C@H](O)C(=C)C 196098435 571772987 /nfs/dbraw/zinc/77/29/87/571772987.db2.gz WUHHGNKOMQWYHW-MRVPVSSYSA-N 0 0 140.226 2.136 10 30 AEEERN C=C(C)CC(=O)[C@H](CCC)OC 131924659 571773900 /nfs/dbraw/zinc/77/39/00/571773900.db2.gz ZADUKCIWNLJAAA-JTQLQIEISA-N 0 0 170.252 2.337 10 30 AEEERN CCC[C@@H](CC=O)SCC 1557083 571773913 /nfs/dbraw/zinc/77/39/13/571773913.db2.gz TXJDCLGEIKSOPV-QMMMGPOBSA-N 0 0 160.282 2.497 10 30 AEEERN O=C1C=CO[C@]2(C1)C[C@@H]1CCCC[C@H]12 712517777 571773989 /nfs/dbraw/zinc/77/39/89/571773989.db2.gz JUKWSBCPSPPAPD-WCQGTBRESA-N 0 0 192.258 2.438 10 30 AEEERN C=C(C)COc1ccc(C)cc1CO 70955985 571774075 /nfs/dbraw/zinc/77/40/75/571774075.db2.gz JEFQESPABDPAAV-UHFFFAOYSA-N 0 0 192.258 2.442 10 30 AEEERN C=CCOc1ccc(C)cc1CO 70955964 571774149 /nfs/dbraw/zinc/77/41/49/571774149.db2.gz FCFJFPVYJYCCBA-UHFFFAOYSA-N 0 0 178.231 2.052 10 30 AEEERN C=C[C@H](C)Oc1ccc(C)cc1CO 70956115 571774190 /nfs/dbraw/zinc/77/41/90/571774190.db2.gz CXMPDLSTRXWKMS-JTQLQIEISA-N 0 0 192.258 2.441 10 30 AEEERN C=C(C)[C@H]1CCC=CC(=O)C1 1570509 571774407 /nfs/dbraw/zinc/77/44/07/571774407.db2.gz VEJZRLFFNKMQSO-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=C1C=CCCC1 1555613 571774427 /nfs/dbraw/zinc/77/44/27/571774427.db2.gz XVKFDCVTYBMNRZ-UHFFFAOYSA-N 0 0 94.157 2.283 10 30 AEEERN CCC1CCC(C#N)(N(C)C)CC1 37354670 571774553 /nfs/dbraw/zinc/77/45/53/571774553.db2.gz AAAFNSUADRQOJE-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C#CCCNC(=O)C(CCC)CCC 70972274 571774727 /nfs/dbraw/zinc/77/47/27/571774727.db2.gz STZZMAMOJUTARJ-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C=C(C)[C@@H]1C=CC(=O)CC1 116766214 571774858 /nfs/dbraw/zinc/77/48/58/571774858.db2.gz HAOWMOLNSDGCGZ-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN C/C(=C\COC(=O)C(C)(C)C)CC=O 39018303 571774933 /nfs/dbraw/zinc/77/49/33/571774933.db2.gz OTLJKNCXUCQWIT-RMKNXTFCSA-N 0 0 198.262 2.111 10 30 AEEERN O=C[C@@H]1CC[C@]2(C[C@H]3CCCC[C@H]32)O1 712523530 571775109 /nfs/dbraw/zinc/77/51/09/571775109.db2.gz OXUOMSGFYBMWFY-WRWGMCAJSA-N 0 0 194.274 2.313 10 30 AEEERN C=CC(=O)/C=C\c1ccccc1 113270844 571775187 /nfs/dbraw/zinc/77/51/87/571775187.db2.gz XDRLAGOBLZATBG-HJWRWDBZSA-N 0 0 158.200 2.455 10 30 AEEERN CCC#CCCCCCCO 39017285 571775199 /nfs/dbraw/zinc/77/51/99/571775199.db2.gz ONKNSJPNHJFPCP-UHFFFAOYSA-N 0 0 154.253 2.343 10 30 AEEERN C=CCOc1ccccc1/C(C)=N/O 19485009 571775224 /nfs/dbraw/zinc/77/52/24/571775224.db2.gz ZVGHSDURWLOGNP-FMIVXFBMSA-N 0 0 191.230 2.450 10 30 AEEERN C[C@@](C#N)(C1CC1)N1CCCCC1 37355704 571775420 /nfs/dbraw/zinc/77/54/20/571775420.db2.gz VQVYRHPLUGXGCX-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN CC(C)[C@@](C)(C#N)N1CCCC1 37355598 571775460 /nfs/dbraw/zinc/77/54/60/571775460.db2.gz MSOUMAZWQFPXAA-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN C=CC(C)(C)SC(=O)NC 220690464 571775707 /nfs/dbraw/zinc/77/57/07/571775707.db2.gz CDLDZJQLLPABHP-UHFFFAOYSA-N 0 0 159.254 2.024 10 30 AEEERN CN(C)[C@H](C#N)c1c(F)cccc1F 37355065 571775908 /nfs/dbraw/zinc/77/59/08/571775908.db2.gz HPVCFWPQLPCIOP-SECBINFHSA-N 0 0 196.200 2.091 10 30 AEEERN CC(C)C[C@H](C#N)N1CCCC1 37355514 571776155 /nfs/dbraw/zinc/77/61/55/571776155.db2.gz OHEZZSKTZSXXRN-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@](C)(O)C(=O)CC#CC(C)(C)C 300721032 571776079 /nfs/dbraw/zinc/77/60/79/571776079.db2.gz BPNPOKFBVLJBTC-LBPRGKRZSA-N 0 0 196.290 2.156 10 30 AEEERN N#CC(=O)c1ccc(F)cc1Cl 142763815 571776183 /nfs/dbraw/zinc/77/61/83/571776183.db2.gz RKBWVFYKGLQHKP-UHFFFAOYSA-N 0 0 183.569 2.185 10 30 AEEERN C=C(C)[C@H](C)SC(=O)NC 220690978 571776321 /nfs/dbraw/zinc/77/63/21/571776321.db2.gz DNFXAXKHGKZHNY-LURJTMIESA-N 0 0 159.254 2.024 10 30 AEEERN CC(C)[C@](C)(C#N)N1CCCC1 37355599 571776353 /nfs/dbraw/zinc/77/63/53/571776353.db2.gz MSOUMAZWQFPXAA-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN O=C[C@@H]1CC[C@]2(C[C@H]3CCCC[C@@H]32)O1 712523527 571776599 /nfs/dbraw/zinc/77/65/99/571776599.db2.gz OXUOMSGFYBMWFY-NOOOWODRSA-N 0 0 194.274 2.313 10 30 AEEERN CC[C@@H](C#N)C(=O)c1ccoc1C 37413263 571776520 /nfs/dbraw/zinc/77/65/20/571776520.db2.gz XSBYHACGBMXQJI-QMMMGPOBSA-N 0 0 177.203 2.321 10 30 AEEERN C=CCC[C@@H](O)[C@@]1(C)CC=CCO1 38973582 571776649 /nfs/dbraw/zinc/77/66/49/571776649.db2.gz IDHYJNPQPNNMOV-GHMZBOCLSA-N 0 0 182.263 2.049 10 30 AEEERN COc1cc(F)c(C#N)c(Cl)c1 142746364 571776660 /nfs/dbraw/zinc/77/66/60/571776660.db2.gz NHMAAOKWTCRQJQ-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CCCCC[C@@]1(O)O[C@@H]1CC 39060147 571776738 /nfs/dbraw/zinc/77/67/38/571776738.db2.gz JQUZGAXFLJZQSX-RKDXNWHRSA-N 0 0 158.241 2.064 10 30 AEEERN CC(C)C[C@@H](C#N)N1CCCC1 37355513 571776769 /nfs/dbraw/zinc/77/67/69/571776769.db2.gz OHEZZSKTZSXXRN-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN C=C(C)[C@@H](C)SC(=O)NC 220691049 571776868 /nfs/dbraw/zinc/77/68/68/571776868.db2.gz DNFXAXKHGKZHNY-ZCFIWIBFSA-N 0 0 159.254 2.024 10 30 AEEERN C=CCN[C@H](C=C)c1ccco1 38949217 571776932 /nfs/dbraw/zinc/77/69/32/571776932.db2.gz LKLLIHVPSZCZEB-SECBINFHSA-N 0 0 163.220 2.282 10 30 AEEERN CC1=Cc2cccc(C)c2C(=O)C1=O 1632369 571777046 /nfs/dbraw/zinc/77/70/46/571777046.db2.gz DKHAQNNRAKURNG-UHFFFAOYSA-N 0 0 186.210 2.164 10 30 AEEERN C=C(C)CC(=O)[C@@H](CCC)OC 131924861 571777070 /nfs/dbraw/zinc/77/70/70/571777070.db2.gz ZADUKCIWNLJAAA-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN CC[C@H](C#N)C(=O)c1ccoc1C 37413266 571777103 /nfs/dbraw/zinc/77/71/03/571777103.db2.gz XSBYHACGBMXQJI-MRVPVSSYSA-N 0 0 177.203 2.321 10 30 AEEERN CO/C=C/C(=O)c1ccccc1 1603346 571777113 /nfs/dbraw/zinc/77/71/13/571777113.db2.gz IMHBKHIZPZRECU-BQYQJAHWSA-N 0 0 162.188 2.029 10 30 AEEERN CN(C)[C@](C)(C#N)C1CCCCC1 37367418 571777143 /nfs/dbraw/zinc/77/71/43/571777143.db2.gz HSXSZERUKRCVHF-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CN(C)[C@@](C)(C#N)C1CCCCC1 37367420 571777204 /nfs/dbraw/zinc/77/72/04/571777204.db2.gz HSXSZERUKRCVHF-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CCCCC[C@]1(O)O[C@H]1CC 39060145 571777228 /nfs/dbraw/zinc/77/72/28/571777228.db2.gz JQUZGAXFLJZQSX-IUCAKERBSA-N 0 0 158.241 2.064 10 30 AEEERN C[C@](C#N)(C1CC1)N1CCCCC1 37355705 571777310 /nfs/dbraw/zinc/77/73/10/571777310.db2.gz VQVYRHPLUGXGCX-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN CC[C@@H](O)C(=O)C1=CCCCCC1 233892882 571780541 /nfs/dbraw/zinc/78/05/41/571780541.db2.gz QTSRAKXFKRFPPD-SNVBAGLBSA-N 0 0 182.263 2.217 10 30 AEEERN O=C[C@@H]1CC[C@]2(C[C@@H]3CCCC[C@H]32)O1 712523526 571777483 /nfs/dbraw/zinc/77/74/83/571777483.db2.gz OXUOMSGFYBMWFY-NNYUYHANSA-N 0 0 194.274 2.313 10 30 AEEERN CC(C)=CC[C@@H](C)[C@@H](C)[C@@H]1O[C@H]1CO 39018315 571777589 /nfs/dbraw/zinc/77/75/89/571777589.db2.gz ASHUBQADZCNNJJ-WYUUTHIRSA-N 0 0 198.306 2.375 10 30 AEEERN C=C(/C=C(\C)[C@@H](O)CC)C[C@@H](C)CO 39018320 571777681 /nfs/dbraw/zinc/77/76/81/571777681.db2.gz PIFZQPXYDHOAFT-TXCQAMFQSA-N 0 0 198.306 2.278 10 30 AEEERN COc1ccc(SCC=O)c(C)c1 19686089 571781015 /nfs/dbraw/zinc/78/10/15/571781015.db2.gz PPKLPVGIVGLZIE-UHFFFAOYSA-N 0 0 196.271 2.295 10 30 AEEERN CC1=CC(=O)[C@H](C)C[C@@H]1C 1634215 571777924 /nfs/dbraw/zinc/77/79/24/571777924.db2.gz AKMAQPMOEODCES-POYBYMJQSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC(=O)[C@@H](C)C[C@H]1C 1634218 571778321 /nfs/dbraw/zinc/77/83/21/571778321.db2.gz AKMAQPMOEODCES-SVRRBLITSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)(C#N)Nc1ccc(O)cc1 1603237 571778636 /nfs/dbraw/zinc/77/86/36/571778636.db2.gz MSDNIFRUGJFOGS-UHFFFAOYSA-N 0 0 176.219 2.106 10 30 AEEERN C=C[C@@H](O)C#CC#CC/C=C\CCC 39074875 571778669 /nfs/dbraw/zinc/77/86/69/571778669.db2.gz IMEXSTBZNSUWPH-FMFIFOJESA-N 0 0 188.270 2.287 10 30 AEEERN C=C[C@H](O)C#CC#CC/C=C\CCC 39074876 571778849 /nfs/dbraw/zinc/77/88/49/571778849.db2.gz IMEXSTBZNSUWPH-FWWRYZNZSA-N 0 0 188.270 2.287 10 30 AEEERN CC(C)C[C@@H](C)[C@@H](C#N)N(C)C 301007625 571779015 /nfs/dbraw/zinc/77/90/15/571779015.db2.gz YENYMZYBFWXVLV-NXEZZACHSA-N 0 0 168.284 2.122 10 30 AEEERN C=CCCC[C@]1(O)CCOC1(C)C 404322675 571779139 /nfs/dbraw/zinc/77/91/39/571779139.db2.gz KRUPSUQDEMUEQP-NSHDSACASA-N 0 0 184.279 2.273 10 30 AEEERN CC(C)C[C@@H](C)[C@H](C#N)N(C)C 301007630 571779369 /nfs/dbraw/zinc/77/93/69/571779369.db2.gz YENYMZYBFWXVLV-ZJUUUORDSA-N 0 0 168.284 2.122 10 30 AEEERN CC1=CC(=O)c2cc(F)ccc2C1=O 1595347 571779494 /nfs/dbraw/zinc/77/94/94/571779494.db2.gz XUDHJTQEPWQWQJ-UHFFFAOYSA-N 0 0 190.173 2.151 10 30 AEEERN CCCN(CC#N)CCCOC(C)C 687721753 571779605 /nfs/dbraw/zinc/77/96/05/571779605.db2.gz ZUTUHJOXUJPNDC-UHFFFAOYSA-N 0 0 198.310 2.037 10 30 AEEERN CC(C)C[C@H](C)[C@H](C#N)N(C)C 301007627 571779832 /nfs/dbraw/zinc/77/98/32/571779832.db2.gz YENYMZYBFWXVLV-UWVGGRQHSA-N 0 0 168.284 2.122 10 30 AEEERN C=C[C@@H]1C[C@]12CCCCC2=O 140181284 571781524 /nfs/dbraw/zinc/78/15/24/571781524.db2.gz BUUDATBKLMPPDO-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](C#N)OC(=O)Nc1ccccc1 1666702 571780616 /nfs/dbraw/zinc/78/06/16/571780616.db2.gz GCFKEACPZZUAMD-QMMMGPOBSA-N 0 0 190.202 2.147 10 30 AEEERN C=CC(=O)/C=C/CCC 116854938 571780689 /nfs/dbraw/zinc/78/06/89/571780689.db2.gz KLBAYHDGSRBDKN-VOTSOKGWSA-N 0 0 124.183 2.098 10 30 AEEERN C=CC1(C)CCC(=O)CC1 116810455 571780711 /nfs/dbraw/zinc/78/07/11/571780711.db2.gz BKHWXHODBDQQGJ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C[C@]1(C)CCC(O)=C(C=O)C1 116811247 571781313 /nfs/dbraw/zinc/78/13/13/571781313.db2.gz QDOZFYWWYSOGEU-QROSGCPLSA-N 0 0 166.220 2.374 10 30 AEEERN Fc1cc(F)c(C[C@@H]2CO2)cc1F 116844764 571781590 /nfs/dbraw/zinc/78/15/90/571781590.db2.gz BJVWCGAQMZQCGP-ZCFIWIBFSA-N 0 0 188.148 2.045 10 30 AEEERN CC(=O)C1=C(C)CC[C@H](C#N)C1 1673319 571781861 /nfs/dbraw/zinc/78/18/61/571781861.db2.gz MYTBGAAZGSMKAD-VIFPVBQESA-N 0 0 163.220 2.216 10 30 AEEERN COc1ccc(SCC=O)cc1C 19686087 571781880 /nfs/dbraw/zinc/78/18/80/571781880.db2.gz NITMLJRMCRIKJQ-UHFFFAOYSA-N 0 0 196.271 2.295 10 30 AEEERN CCC1=CO[C@](C=O)(CC)CC1 1690628 571782129 /nfs/dbraw/zinc/78/21/29/571782129.db2.gz SQZVYXOKAXPDKY-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN CC(=NN(C)C)c1cccc(F)c1 388676691 571782297 /nfs/dbraw/zinc/78/22/97/571782297.db2.gz ZEDPTAKRXLIHRS-UHFFFAOYSA-N 0 0 180.226 2.111 10 30 AEEERN Cc1cc(O)cc(C)c1CCC#N 140110606 571782698 /nfs/dbraw/zinc/78/26/98/571782698.db2.gz AADFEEQETGPIRW-UHFFFAOYSA-N 0 0 175.231 2.465 10 30 AEEERN Cc1nnc(SC[C@H](C)C#N)s1 37486585 571782914 /nfs/dbraw/zinc/78/29/14/571782914.db2.gz DLMBLMIHNMNOAK-RXMQYKEDSA-N 0 0 199.304 2.098 10 30 AEEERN CC1=CC(=O)C(C)(C)C=C1 1729160 571782997 /nfs/dbraw/zinc/78/29/97/571782997.db2.gz LDTTTWCXHJUIAV-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN O=C1C=C2C=CCC[C@H]2CC1 1715021 571783215 /nfs/dbraw/zinc/78/32/15/571783215.db2.gz DXIKCYRJHPXRGV-QMMMGPOBSA-N 0 0 148.205 2.242 10 30 AEEERN C/C=C\CC[C@@H]1O[C@H]1C 39128797 571783264 /nfs/dbraw/zinc/78/32/64/571783264.db2.gz KHJRSYZMQZDLRR-FBJRUSGASA-N 0 0 126.199 2.130 10 30 AEEERN CC[C@H](C#N)C(=O)c1ccco1 37507695 571783534 /nfs/dbraw/zinc/78/35/34/571783534.db2.gz BZWAWPYGIXSKNU-SSDOTTSWSA-N 0 0 163.176 2.012 10 30 AEEERN Cc1nnc(SC[C@@H](C)C#N)s1 37486584 571783561 /nfs/dbraw/zinc/78/35/61/571783561.db2.gz DLMBLMIHNMNOAK-YFKPBYRVSA-N 0 0 199.304 2.098 10 30 AEEERN CC[C@@H](C#N)C(=O)c1ccco1 37507694 571783868 /nfs/dbraw/zinc/78/38/68/571783868.db2.gz BZWAWPYGIXSKNU-ZETCQYMHSA-N 0 0 163.176 2.012 10 30 AEEERN CC1=CC(=O)[C@H](C(C)C)C1 1759702 571783878 /nfs/dbraw/zinc/78/38/78/571783878.db2.gz PVHDVKUYSLYVFQ-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@](N)(C#N)C1CCCCC1 143164232 571783938 /nfs/dbraw/zinc/78/39/38/571783938.db2.gz KRMIULPKXPXJSK-JTQLQIEISA-N 0 0 166.268 2.198 10 30 AEEERN O=C1C=C2CCC[C@@H]2CC1 1715898 571784073 /nfs/dbraw/zinc/78/40/73/571784073.db2.gz LDRDSZBEUAPYIR-SSDOTTSWSA-N 0 0 136.194 2.076 10 30 AEEERN COC(=O)N=Cc1cccc(C)c1 39139377 571786563 /nfs/dbraw/zinc/78/65/63/571786563.db2.gz DWXLHXIRUTVUEW-UHFFFAOYSA-N 0 0 177.203 2.180 10 30 AEEERN C#CCCNc1c(C)cccc1C#N 221065949 571784385 /nfs/dbraw/zinc/78/43/85/571784385.db2.gz NRZPHEXILBILHT-UHFFFAOYSA-N 0 0 184.242 2.302 10 30 AEEERN CC(C)Cc1ccc(N)c(C#N)c1 118851184 571784430 /nfs/dbraw/zinc/78/44/30/571784430.db2.gz UJHWUQQGPKTQLF-UHFFFAOYSA-N 0 0 174.247 2.339 10 30 AEEERN Cc1cc(O)ccc1CCC#N 1743912 571784432 /nfs/dbraw/zinc/78/44/32/571784432.db2.gz XFOQFTKUTFVDRJ-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN CC1=C(N2CCCC2)CCCC1=O 1730076 571784515 /nfs/dbraw/zinc/78/45/15/571784515.db2.gz ZGHGOZAOFQCUOH-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN CC[C@@](N)(C#N)C1CCCCC1 143164029 571784666 /nfs/dbraw/zinc/78/46/66/571784666.db2.gz KRMIULPKXPXJSK-SNVBAGLBSA-N 0 0 166.268 2.198 10 30 AEEERN COc1cccc2c(C#N)cncc12 201518039 571784767 /nfs/dbraw/zinc/78/47/67/571784767.db2.gz BSTXBBSSSOBUEA-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN C#CCC(=O)c1ccoc1CC 234164934 571784784 /nfs/dbraw/zinc/78/47/84/571784784.db2.gz QFDLBHSUKFOBPB-UHFFFAOYSA-N 0 0 162.188 2.048 10 30 AEEERN CC[C@H]1CCCC[C@H]1OC[C@H]1CO1 301014120 571784941 /nfs/dbraw/zinc/78/49/41/571784941.db2.gz HJNDMZXMHCYYHB-HBNTYKKESA-N 0 0 184.279 2.371 10 30 AEEERN CCc1occc1C(=O)C1=CCCO1 234164405 571784976 /nfs/dbraw/zinc/78/49/76/571784976.db2.gz QPBWNAAQGOWILE-UHFFFAOYSA-N 0 0 192.214 2.329 10 30 AEEERN C=CC(=O)C1=CCCCS1 140102283 571785051 /nfs/dbraw/zinc/78/50/51/571785051.db2.gz PDDFMUIMRDSNPB-UHFFFAOYSA-N 0 0 154.234 2.152 10 30 AEEERN CC=C=CC(=O)c1ccoc1CC 234164979 571785064 /nfs/dbraw/zinc/78/50/64/571785064.db2.gz LPZXIMAZAQJJJO-UHFFFAOYSA-N 0 0 176.215 2.438 10 30 AEEERN C=C[C@@H]1CCC[C@]1(C#N)C(=O)OCC 39112354 571785067 /nfs/dbraw/zinc/78/50/67/571785067.db2.gz IXNLEUCYPSMDCM-MWLCHTKSSA-N 0 0 193.246 2.046 10 30 AEEERN C=CCn1nccc1C1(C#N)CCC1 214492509 571785357 /nfs/dbraw/zinc/78/53/57/571785357.db2.gz AZOIZGLIIOFACJ-UHFFFAOYSA-N 0 0 187.246 2.014 10 30 AEEERN C=C[C@H](NC(=O)OC)c1ccccc1 39168846 571785433 /nfs/dbraw/zinc/78/54/33/571785433.db2.gz FLUFWTHOIZWRBD-JTQLQIEISA-N 0 0 191.230 2.270 10 30 AEEERN CC(=O)C[C@@]1(C=O)CC=C(C)CC1 140164098 571785439 /nfs/dbraw/zinc/78/54/39/571785439.db2.gz ONOIOFWTUAKNOT-LLVKDONJSA-N 0 0 180.247 2.281 10 30 AEEERN CCCCCCCCC(O)O 100225360 571785733 /nfs/dbraw/zinc/78/57/33/571785733.db2.gz FVXBCDWMKCEPCL-UHFFFAOYSA-N 0 0 160.257 2.048 10 30 AEEERN CC1=CC[C@@H]([C@@H](C)CC=O)CC1=O 140132113 571785773 /nfs/dbraw/zinc/78/57/73/571785773.db2.gz NAKSXPABHHDRMH-WCBMZHEXSA-N 0 0 180.247 2.137 10 30 AEEERN C=C1CCC[C@H]2C[C@@H]12 140125499 571785798 /nfs/dbraw/zinc/78/57/98/571785798.db2.gz OAALNKAEDGHJQQ-YUMQZZPRSA-N 0 0 108.184 2.363 10 30 AEEERN CCCC[C@@H](C=O)SCC 140155993 571785965 /nfs/dbraw/zinc/78/59/65/571785965.db2.gz PHZLQZKNVZVDRG-QMMMGPOBSA-N 0 0 160.282 2.497 10 30 AEEERN C=C[C@@H](O)C(=C)c1ccccc1 140143977 571786018 /nfs/dbraw/zinc/78/60/18/571786018.db2.gz OPVJTVHFNGAKHJ-LLVKDONJSA-N 0 0 160.216 2.247 10 30 AEEERN Cc1ncc([N+](=O)[O-])cc1N=[N+]=[N-] 200012549 571786157 /nfs/dbraw/zinc/78/61/57/571786157.db2.gz FAMKRGZGZJULHW-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN C#Cc1nc2ccccc2cc1C=O 221077599 571786161 /nfs/dbraw/zinc/78/61/61/571786161.db2.gz BGYVXOMYRDVVBG-UHFFFAOYSA-N 0 0 181.194 2.029 10 30 AEEERN C[C@]1(CC=O)CCOc2ccccc21 140178684 571786184 /nfs/dbraw/zinc/78/61/84/571786184.db2.gz DTBHAPLDDIUREV-LBPRGKRZSA-N 0 0 190.242 2.316 10 30 AEEERN C=C1CCC[C@@H]2C[C@H]12 140125343 571786209 /nfs/dbraw/zinc/78/62/09/571786209.db2.gz OAALNKAEDGHJQQ-HTQZYQBOSA-N 0 0 108.184 2.363 10 30 AEEERN C=CCC[C@@H](C=O)O[C@H]1CCCCO1 212417554 571786243 /nfs/dbraw/zinc/78/62/43/571786243.db2.gz IQOVQGRGDMKYMI-QWRGUYRKSA-N 0 0 198.262 2.063 10 30 AEEERN CC1=CC[C@H]([C@@H](C)CC=O)CC1=O 140131962 571786317 /nfs/dbraw/zinc/78/63/17/571786317.db2.gz NAKSXPABHHDRMH-WPRPVWTQSA-N 0 0 180.247 2.137 10 30 AEEERN O=C1C=C[C@H](Cc2ccco2)CC1 140158592 571786325 /nfs/dbraw/zinc/78/63/25/571786325.db2.gz FFKGPSYQEXPAGY-VIFPVBQESA-N 0 0 176.215 2.357 10 30 AEEERN CC1=CC[C@H]([C@H](C)CC=O)CC1=O 140132256 571786386 /nfs/dbraw/zinc/78/63/86/571786386.db2.gz NAKSXPABHHDRMH-SCZZXKLOSA-N 0 0 180.247 2.137 10 30 AEEERN CC[C@H]1CCCC[C@@H]1OC[C@H]1CO1 301014119 571786390 /nfs/dbraw/zinc/78/63/90/571786390.db2.gz HJNDMZXMHCYYHB-AXFHLTTASA-N 0 0 184.279 2.371 10 30 AEEERN O=C1C=C[C@@H](Cc2ccco2)CC1 140158731 571786409 /nfs/dbraw/zinc/78/64/09/571786409.db2.gz FFKGPSYQEXPAGY-SECBINFHSA-N 0 0 176.215 2.357 10 30 AEEERN C(=N\C1CCCCC1)\c1ncc[nH]1 39136947 571786474 /nfs/dbraw/zinc/78/64/74/571786474.db2.gz MRGMDSXWFHAEJB-JYRVWZFOSA-N 0 0 177.251 2.161 10 30 AEEERN C#C[C@H](O)/C(=C/CCC)CC 143115314 571786536 /nfs/dbraw/zinc/78/65/36/571786536.db2.gz IKDLJYCHQSDTEH-DDXVTDLHSA-N 0 0 152.237 2.117 10 30 AEEERN CC(=O)N=Cc1ccc(Cl)cc1 39125977 571786580 /nfs/dbraw/zinc/78/65/80/571786580.db2.gz MYZSRRHZZQUJIK-UHFFFAOYSA-N 0 0 181.622 2.305 10 30 AEEERN C(=N\C1CC1)\c1cccs1 100218182 571786588 /nfs/dbraw/zinc/78/65/88/571786588.db2.gz FLKFPGWMGSAELO-TWGQIWQCSA-N 0 0 151.234 2.329 10 30 AEEERN C=C1CCC[C@@]12CCCC2=O 140141204 571786693 /nfs/dbraw/zinc/78/66/93/571786693.db2.gz IQDCAPHUVUYIFE-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN CC/C=C/CCCC=O 1850440 571786776 /nfs/dbraw/zinc/78/67/76/571786776.db2.gz ZUSUVEKHEZURSD-ONEGZZNKSA-N 0 0 126.199 2.322 10 30 endogenous,in-man AEEERN CCCC[C@H](C=O)SCC 140156132 571786806 /nfs/dbraw/zinc/78/68/06/571786806.db2.gz PHZLQZKNVZVDRG-MRVPVSSYSA-N 0 0 160.282 2.497 10 30 AEEERN C=C1CCC[C@]12CCCC2=O 140141360 571786827 /nfs/dbraw/zinc/78/68/27/571786827.db2.gz IQDCAPHUVUYIFE-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN C=C[C@@H]1C[C@@]12CCCCC2=O 140180974 571787012 /nfs/dbraw/zinc/78/70/12/571787012.db2.gz BUUDATBKLMPPDO-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@H](O)C(=C)c1ccccc1 140143849 571787595 /nfs/dbraw/zinc/78/75/95/571787595.db2.gz OPVJTVHFNGAKHJ-NSHDSACASA-N 0 0 160.216 2.247 10 30 AEEERN CCc1cccc([N+](=O)[O-])c1C#N 118848655 571787144 /nfs/dbraw/zinc/78/71/44/571787144.db2.gz FNWULTWMZPWRBE-UHFFFAOYSA-N 0 0 176.175 2.029 10 30 AEEERN O=C1C=C[C@H]2CCCCC[C@@H]12 1845710 571787154 /nfs/dbraw/zinc/78/71/54/571787154.db2.gz TZTFRTJTCSSCII-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@H]1C[C@@]12CCCCC2=O 140181131 571787173 /nfs/dbraw/zinc/78/71/73/571787173.db2.gz BUUDATBKLMPPDO-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN N#CC1(c2cnn(C3CC3)c2)CCC1 214492423 571787207 /nfs/dbraw/zinc/78/72/07/571787207.db2.gz RLLGUUZFSJTISB-UHFFFAOYSA-N 0 0 187.246 2.163 10 30 AEEERN CC1(C)[C@H]2CC(=O)C=CC[C@H]21 140181596 571787247 /nfs/dbraw/zinc/78/72/47/571787247.db2.gz AQROGFYXNHSTQD-BDAKNGLRSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCn1cc(C2(C#N)CCC2)cn1 214492586 571787270 /nfs/dbraw/zinc/78/72/70/571787270.db2.gz OEWHVPQUWXFENK-UHFFFAOYSA-N 0 0 187.246 2.014 10 30 AEEERN N#Cc1cnc(-c2ccc(F)cc2)cn1 143195776 571787378 /nfs/dbraw/zinc/78/73/78/571787378.db2.gz NFYARGCZQFKEHG-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C=CCc1c(C)ccc(OC)c1O 140190390 571787388 /nfs/dbraw/zinc/78/73/88/571787388.db2.gz KGQRXBGVZMPMHB-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 AEEERN CN(C)c1ccc(/C=N/O)c(Cl)c1 1855626 571787482 /nfs/dbraw/zinc/78/74/82/571787482.db2.gz JCCLFAQLMMBINZ-IZZDOVSWSA-N 0 0 198.653 2.214 10 30 AEEERN CC[C@@](C)(S)CC(C)=O 140180177 571787556 /nfs/dbraw/zinc/78/75/56/571787556.db2.gz YMQSGAOXQWNUPQ-SSDOTTSWSA-N 0 0 146.255 2.064 10 30 AEEERN C=C1CC(C)(C)C=CC1=O 1894683 571787624 /nfs/dbraw/zinc/78/76/24/571787624.db2.gz ZSEVBQPHUVQVFD-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN C[C@@]1(CC=O)CCOc2ccccc21 140178516 571787627 /nfs/dbraw/zinc/78/76/27/571787627.db2.gz DTBHAPLDDIUREV-GFCCVEGCSA-N 0 0 190.242 2.316 10 30 AEEERN CC(=O)Cc1ccccc1 100218324 571787766 /nfs/dbraw/zinc/78/77/66/571787766.db2.gz UWBBAKWAAWCHSZ-UHFFFAOYSA-N 0 0 134.178 2.301 10 30 AEEERN CC[C@](C)(S)CC(C)=O 140180034 571787883 /nfs/dbraw/zinc/78/78/83/571787883.db2.gz YMQSGAOXQWNUPQ-ZETCQYMHSA-N 0 0 146.255 2.064 10 30 AEEERN CC(=O)C1=CC[C@H]2C=CC[C@@H]2C1 140191822 571787887 /nfs/dbraw/zinc/78/78/87/571787887.db2.gz HPNYRWXBUHDLFO-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN CC(=O)C1=CC[C@@H]2C=CC[C@H]2C1 140191976 571787948 /nfs/dbraw/zinc/78/79/48/571787948.db2.gz HPNYRWXBUHDLFO-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C[C@H]1CCC2=C(O1)C(=O)C[C@H]2C 140194480 571788094 /nfs/dbraw/zinc/78/80/94/571788094.db2.gz CAMLWMGHOLHFCH-RQJHMYQMSA-N 0 0 166.220 2.048 10 30 AEEERN C=C1[C@]2(C)C=C[C@@]1(C)CCC2=O 140158534 571788147 /nfs/dbraw/zinc/78/81/47/571788147.db2.gz WQVIAUUZTHIGRW-MNOVXSKESA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@H]1C[C@]12CCCCC2=O 140181444 571788251 /nfs/dbraw/zinc/78/82/51/571788251.db2.gz BUUDATBKLMPPDO-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1[nH]c(Br)c(C)c1C#N 37624177 571788368 /nfs/dbraw/zinc/78/83/68/571788368.db2.gz KXGVENBYOHZJAC-UHFFFAOYSA-N 0 0 199.051 2.266 10 30 AEEERN CCC[C@H](CC=O)SCC 2031901 571788399 /nfs/dbraw/zinc/78/83/99/571788399.db2.gz TXJDCLGEIKSOPV-MRVPVSSYSA-N 0 0 160.282 2.497 10 30 AEEERN CSCCN(C1CC1)C(C)(C)C#N 687801399 571788634 /nfs/dbraw/zinc/78/86/34/571788634.db2.gz MFQXKQSAUWJGLW-UHFFFAOYSA-N 0 0 198.335 2.116 10 30 AEEERN C=CCCC/C=C/C(C)=O 2002769 571788659 /nfs/dbraw/zinc/78/86/59/571788659.db2.gz YKLUYYMKAUDXNV-BQYQJAHWSA-N 0 0 138.210 2.488 10 30 AEEERN CCCC/C=C/CC=O 2013448 571788787 /nfs/dbraw/zinc/78/87/87/571788787.db2.gz WDWAUVJQFVTKEW-AATRIKPKSA-N 0 0 126.199 2.322 10 30 AEEERN O=CCCCCCCF 2031408 571788950 /nfs/dbraw/zinc/78/89/50/571788950.db2.gz ZKAOXODYSBGNRK-UHFFFAOYSA-N 0 0 132.178 2.105 10 30 AEEERN C=C1CC(=O)CC(C)(C)C1 140216916 571790207 /nfs/dbraw/zinc/79/02/07/571790207.db2.gz AIKNTUMNSWPNIH-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@](C#N)(c1ccccc1)N(C)C 37627174 571789319 /nfs/dbraw/zinc/78/93/19/571789319.db2.gz MBIWLWXPYUXMTL-GFCCVEGCSA-N 0 0 188.274 2.377 10 30 AEEERN CNC=CC(=O)c1ccc(Cl)cc1 140239498 571789349 /nfs/dbraw/zinc/78/93/49/571789349.db2.gz VKNDVCQKZASNJJ-SREVYHEPSA-N 0 0 195.649 2.256 10 30 AEEERN CC/C=C(/C)C(=O)CC 2015596 571789351 /nfs/dbraw/zinc/78/93/51/571789351.db2.gz BDBHRHLQMIKKIB-SREVYHEPSA-N 0 0 126.199 2.322 10 30 AEEERN O=CCCCCCCCF 2034567 571789397 /nfs/dbraw/zinc/78/93/97/571789397.db2.gz VGCYWSRWQVLEKL-UHFFFAOYSA-N 0 0 146.205 2.495 10 30 AEEERN C=CCCCC[C@@H](O)C=C 140244052 571789603 /nfs/dbraw/zinc/78/96/03/571789603.db2.gz SGOSNUGFGGSMEG-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=CCOC(=O)NCc1ccccc1 140226937 571789859 /nfs/dbraw/zinc/78/98/59/571789859.db2.gz GDULEBRGIGJISY-UHFFFAOYSA-N 0 0 191.230 2.099 10 30 AEEERN CC(=O)C1=C(C)CC[C@@H](C#N)C1 2037070 571790163 /nfs/dbraw/zinc/79/01/63/571790163.db2.gz MYTBGAAZGSMKAD-SECBINFHSA-N 0 0 163.220 2.216 10 30 AEEERN C1CC[C@@H]2C[C@@H]3O[C@@H]3C[C@@H]2C1 2016202 571790177 /nfs/dbraw/zinc/79/01/77/571790177.db2.gz OQOKLVGYVIWSPZ-FIRGSJFUSA-N 0 0 152.237 2.354 10 30 AEEERN N#Cc1cc(C#CC2CC2)ccc1F 140251616 571790271 /nfs/dbraw/zinc/79/02/71/571790271.db2.gz KUNKCZQUJNSLAP-UHFFFAOYSA-N 0 0 185.201 2.459 10 30 AEEERN CCC/C=C/CCC=O 2013446 571790321 /nfs/dbraw/zinc/79/03/21/571790321.db2.gz ICPZCFJMCZRIPY-SNAWJCMRSA-N 0 0 126.199 2.322 10 30 AEEERN CCC(C(C)=O)=C(C)C 2015619 571790362 /nfs/dbraw/zinc/79/03/62/571790362.db2.gz QXKSCXSNUNKWJA-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=CCS/C(=C/[C@H](C)O)SC 220706614 571790614 /nfs/dbraw/zinc/79/06/14/571790614.db2.gz YRZPWVGASJDUFD-DGUDBNDOSA-N 0 0 190.333 2.491 10 30 AEEERN CCn1cc(C(=O)C=C(C)C)cn1 234184996 571791134 /nfs/dbraw/zinc/79/11/34/571791134.db2.gz PJXKYISESXSXLO-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN C=CCCCC[C@H](O)C=C 140243907 571791273 /nfs/dbraw/zinc/79/12/73/571791273.db2.gz SGOSNUGFGGSMEG-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN CCC#Cc1cccc(O)c1 140271200 571791343 /nfs/dbraw/zinc/79/13/43/571791343.db2.gz YYRJSSDODICIAF-UHFFFAOYSA-N 0 0 146.189 2.154 10 30 AEEERN Cc1cccc(-c2nc(CC#N)no2)c1 71507808 571791535 /nfs/dbraw/zinc/79/15/35/571791535.db2.gz MAWNOMMOJKCJEB-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN C[C@H]1O[C@H]1c1ccc(F)cc1F 38220469 571791642 /nfs/dbraw/zinc/79/16/42/571791642.db2.gz BIXARCDUUPFXHX-MLUIRONXSA-N 0 0 170.158 2.425 10 30 AEEERN CC(C)C1=CC[C@H](C)C1=O 85947795 571791781 /nfs/dbraw/zinc/79/17/81/571791781.db2.gz JSIJNCSVIGPGDV-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 endogenous,in-man AEEERN CC(C)C1=CC[C@@H](C)C1=O 85947793 571791815 /nfs/dbraw/zinc/79/18/15/571791815.db2.gz JSIJNCSVIGPGDV-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 endogenous,in-man AEEERN CC(=O)/C(C)=C/C(C)C 2116596 571792591 /nfs/dbraw/zinc/79/25/91/571792591.db2.gz AXZFDNRZRXXTJP-FNORWQNLSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC(=O)C=C=CCCCC 37632154 571792710 /nfs/dbraw/zinc/79/27/10/571792710.db2.gz ONINLQUFFVRQAX-UHFFFAOYSA-N 0 0 150.221 2.325 10 30 AEEERN C=C(C)CN(C)C1(C#N)CCCC1 687801116 571792862 /nfs/dbraw/zinc/79/28/62/571792862.db2.gz RFWNHYAYHLXGKA-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN Cc1ccnc(NC(C)(C)C#N)c1 116919209 571793638 /nfs/dbraw/zinc/79/36/38/571793638.db2.gz ADKCAQRBDXDAKE-UHFFFAOYSA-N 0 0 175.235 2.104 10 30 AEEERN CCCN(CCC)[C@H](C)C#N 39240031 571793537 /nfs/dbraw/zinc/79/35/37/571793537.db2.gz WYDOWUPFNHCRDD-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN CCN(CC)[C@@H](C#N)c1ccco1 19933828 571793838 /nfs/dbraw/zinc/79/38/38/571793838.db2.gz MOSXFDKLJVZYEU-VIFPVBQESA-N 0 0 178.235 2.186 10 30 AEEERN CCN(CC)[C@H](C#N)c1ccco1 19933831 571794336 /nfs/dbraw/zinc/79/43/36/571794336.db2.gz MOSXFDKLJVZYEU-SECBINFHSA-N 0 0 178.235 2.186 10 30 AEEERN O=C(C1=C(O)CCC1)C(F)(F)F 19962905 571794480 /nfs/dbraw/zinc/79/44/80/571794480.db2.gz QEWSEUXKPCWBGI-UHFFFAOYSA-N 0 0 180.125 2.114 10 30 AEEERN CCCCCCCc1oc(=O)[nH]c1N 301020090 571794496 /nfs/dbraw/zinc/79/44/96/571794496.db2.gz NHXHGLARJVCRJE-QMMMGPOBSA-N 0 0 198.266 2.223 10 30 AEEERN CCc1c(C)ncc(C#N)c1C 234108982 571794773 /nfs/dbraw/zinc/79/47/73/571794773.db2.gz FTLLVZFECOSTEJ-UHFFFAOYSA-N 0 0 160.220 2.133 10 30 AEEERN CC[C@H]1CCC[C@@H](OC[C@H]2CO2)C1 301020395 571799954 /nfs/dbraw/zinc/79/99/54/571799954.db2.gz JZMSXBWDNXUNNE-AXFHLTTASA-N 0 0 184.279 2.371 10 30 AEEERN CCCN(CCC)[C@@H](C)C#N 39240030 571795028 /nfs/dbraw/zinc/79/50/28/571795028.db2.gz WYDOWUPFNHCRDD-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN C=CCC(=O)CCCOC(C)C 689411604 571795090 /nfs/dbraw/zinc/79/50/90/571795090.db2.gz ZBEPBJVLLFHAMN-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN C=CC[C@H](O)c1cncc(OC)c1C 687651168 571795272 /nfs/dbraw/zinc/79/52/72/571795272.db2.gz OGXFRACMSKEQOS-JTQLQIEISA-N 0 0 193.246 2.008 10 30 AEEERN CC(C)(C#N)CCCN1CCSC1 687801257 571795389 /nfs/dbraw/zinc/79/53/89/571795389.db2.gz AXAWFDUTIJGGPA-UHFFFAOYSA-N 0 0 198.335 2.323 10 30 AEEERN CCN(/C=C/C(=O)C(C)C)CC 39257262 571796108 /nfs/dbraw/zinc/79/61/08/571796108.db2.gz KWMCZFDFFZDTCY-BQYQJAHWSA-N 0 0 169.268 2.067 10 30 AEEERN CC(C)SC[C@H](C)C#N 37685653 571796114 /nfs/dbraw/zinc/79/61/14/571796114.db2.gz AAXPSVHNQXABFE-SSDOTTSWSA-N 0 0 143.255 2.288 10 30 AEEERN Cc1cnn([C@H]2CCC[C@@H]2C#N)c1 37677296 571796202 /nfs/dbraw/zinc/79/62/02/571796202.db2.gz OMYBQNFCKUHCKC-ZJUUUORDSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1cnn([C@H]2CCC[C@H]2C#N)c1 37677298 571796794 /nfs/dbraw/zinc/79/67/94/571796794.db2.gz OMYBQNFCKUHCKC-UWVGGRQHSA-N 0 0 175.235 2.056 10 30 AEEERN N#CCCC(=O)c1cncc(Cl)c1 2392731 571798792 /nfs/dbraw/zinc/79/87/92/571798792.db2.gz JLLSFBBENLUTJL-UHFFFAOYSA-N 0 0 194.621 2.221 10 30 AEEERN COc1ncccc1C(=O)C=C(C)C 116868759 571797336 /nfs/dbraw/zinc/79/73/36/571797336.db2.gz WRBXMAFMPHFQHW-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN CC/N=C(\C#N)c1ccccc1 100240657 571797374 /nfs/dbraw/zinc/79/73/74/571797374.db2.gz OUDYNIUUXRGJCR-ZRDIBKRKSA-N 0 0 158.204 2.019 10 30 AEEERN C=CC[C@@H](O)c1cncc(OC)c1C 687651169 571797412 /nfs/dbraw/zinc/79/74/12/571797412.db2.gz OGXFRACMSKEQOS-SNVBAGLBSA-N 0 0 193.246 2.008 10 30 AEEERN CCCCNC1(C#N)CCCC1 20177780 571797463 /nfs/dbraw/zinc/79/74/63/571797463.db2.gz VTVZCLKSNFTPOU-UHFFFAOYSA-N 0 0 166.268 2.212 10 30 AEEERN CC(C)(C#N)NCCc1cccs1 20177705 571797722 /nfs/dbraw/zinc/79/77/22/571797722.db2.gz CUPZIWIMNGVUCV-UHFFFAOYSA-N 0 0 194.303 2.182 10 30 AEEERN CC[C@@H](C)[C@H](C)C#N 37745484 571797729 /nfs/dbraw/zinc/79/77/29/571797729.db2.gz ALZYMJVIVGSIHN-RNFRBKRXSA-N 0 0 111.188 2.192 10 30 AEEERN CC[C@H](C)[C@@H](C)C#N 37745483 571798014 /nfs/dbraw/zinc/79/80/14/571798014.db2.gz ALZYMJVIVGSIHN-BQBZGAKWSA-N 0 0 111.188 2.192 10 30 AEEERN CC(C)Cc1nc(C#N)c2ccccn12 20222702 571798099 /nfs/dbraw/zinc/79/80/99/571798099.db2.gz UDQJTEREQYZDLR-UHFFFAOYSA-N 0 0 199.257 2.404 10 30 AEEERN C[S@](=O)CCCCC(C)(C)C#N 235725518 571798267 /nfs/dbraw/zinc/79/82/67/571798267.db2.gz OSYWAQQMTFOHKR-LBPRGKRZSA-N 0 0 187.308 2.085 10 30 AEEERN CC[C@H]1CCC[C@H](OC[C@H]2CO2)C1 301020396 571798516 /nfs/dbraw/zinc/79/85/16/571798516.db2.gz JZMSXBWDNXUNNE-DCAQKATOSA-N 0 0 184.279 2.371 10 30 AEEERN C=CC/N=C\c1cccc(OC)c1 100241950 571798799 /nfs/dbraw/zinc/79/87/99/571798799.db2.gz ZCUAUOSSDYRTOR-XFXZXTDPSA-N 0 0 175.231 2.300 10 30 AEEERN C#CCCC[C@](C)(O)c1cccnc1 235725028 571799803 /nfs/dbraw/zinc/79/98/03/571799803.db2.gz VXQRTIKZQGBGKH-LBPRGKRZSA-N 0 0 189.258 2.093 10 30 AEEERN CC[C@H](C)[C@H](C)C#N 37745485 571800123 /nfs/dbraw/zinc/80/01/23/571800123.db2.gz ALZYMJVIVGSIHN-NKWVEPMBSA-N 0 0 111.188 2.192 10 30 AEEERN N#CCCCOCC(F)(F)C(F)F 20518187 571800492 /nfs/dbraw/zinc/80/04/92/571800492.db2.gz CZZMGSUSFWEZIO-UHFFFAOYSA-N 0 0 199.147 2.207 10 30 AEEERN N#CC1C2CC3CC1CC3C2 20650846 571800734 /nfs/dbraw/zinc/80/07/34/571800734.db2.gz RLSCXKOLWLUOJY-UHFFFAOYSA-N 0 0 147.221 2.192 10 30 AEEERN C[S@@](=O)CCCCC(C)(C)C#N 235722640 571801117 /nfs/dbraw/zinc/80/11/17/571801117.db2.gz OSYWAQQMTFOHKR-GFCCVEGCSA-N 0 0 187.308 2.085 10 30 AEEERN C#CCCCC[C@H](O)CCC 39260029 571801254 /nfs/dbraw/zinc/80/12/54/571801254.db2.gz NLDUDINPZFMSLT-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN CCn1ccnc1C(=O)C1=CCCC1 234200716 571801415 /nfs/dbraw/zinc/80/14/15/571801415.db2.gz BGKMHPNSGQTYSG-UHFFFAOYSA-N 0 0 190.246 2.196 10 30 AEEERN C=CC[C@H](C)C(=O)C1CC1 21416104 571801801 /nfs/dbraw/zinc/80/18/01/571801801.db2.gz KIWYXMHDVDURSU-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN C=C=C(CCCC)[C@H](O)C=C 39291577 571802279 /nfs/dbraw/zinc/80/22/79/571802279.db2.gz JNPNXLFRBJUSGI-SNVBAGLBSA-N 0 0 152.237 2.435 10 30 AEEERN N#CC(=CC(=O)c1ccccc1)CN 113287575 571802527 /nfs/dbraw/zinc/80/25/27/571802527.db2.gz DBAOYCRUVMBKON-VIFPVBQESA-N 0 0 186.214 2.049 10 30 AEEERN N#CC1CC(C2CCC2)C1 20837546 571803709 /nfs/dbraw/zinc/80/37/09/571803709.db2.gz JKHYXSLTFRIZRX-UHFFFAOYSA-N 0 0 135.210 2.336 10 30 AEEERN C=CC[C@@H](C)C(=O)C1CC1 21416108 571802864 /nfs/dbraw/zinc/80/28/64/571802864.db2.gz KIWYXMHDVDURSU-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN CCCCCN[C@H](C#N)CC 39322782 571803318 /nfs/dbraw/zinc/80/33/18/571803318.db2.gz MXZGULOAVBFAHP-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN CC[C@@H](C)CCC#N 2578919 571803616 /nfs/dbraw/zinc/80/36/16/571803616.db2.gz UWADIKOEYXBKPD-SSDOTTSWSA-N 0 0 111.188 2.336 10 30 AEEERN C#Cc1ccc2c(c1)C(C)(C)OC2=O 221092060 571803941 /nfs/dbraw/zinc/80/39/41/571803941.db2.gz IPKIZRNJGROKPE-UHFFFAOYSA-N 0 0 186.210 2.073 10 30 AEEERN CCCCCN[C@@H](C#N)CC 39322783 571804380 /nfs/dbraw/zinc/80/43/80/571804380.db2.gz MXZGULOAVBFAHP-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN C/C=C\[C@@H]1CC[C@@H]2O[C@@H]2C1 20911515 571804473 /nfs/dbraw/zinc/80/44/73/571804473.db2.gz SSABYWTUXCMAEJ-GPXZJDCPSA-N 0 0 138.210 2.130 10 30 AEEERN C=C[C@H](OC[C@H]1CO1)c1ccccc1 113287363 571804851 /nfs/dbraw/zinc/80/48/51/571804851.db2.gz GWCJNVUIVCCXER-NEPJUHHUSA-N 0 0 190.242 2.329 10 30 AEEERN N#CC(=CC(=O)c1ccccc1)CN 113287573 571805341 /nfs/dbraw/zinc/80/53/41/571805341.db2.gz DBAOYCRUVMBKON-SECBINFHSA-N 0 0 186.214 2.049 10 30 AEEERN CCc1occc1C(=O)[C@H](C)C#N 234201645 571805433 /nfs/dbraw/zinc/80/54/33/571805433.db2.gz QUNWJHJMUWOLMC-SSDOTTSWSA-N 0 0 177.203 2.184 10 30 AEEERN O=C(CC[C@@H]1CO1)C12CCC(CC1)C2 710885645 571805500 /nfs/dbraw/zinc/80/55/00/571805500.db2.gz ITRXZDFXMTYTLO-SQLBVSGCSA-N 0 0 194.274 2.315 10 30 AEEERN C=C[C@@H](OC[C@H]1CO1)c1ccccc1 113287362 571805537 /nfs/dbraw/zinc/80/55/37/571805537.db2.gz GWCJNVUIVCCXER-VXGBXAGGSA-N 0 0 190.242 2.329 10 30 AEEERN C=C[C@H](OC[C@@H]1CO1)c1ccccc1 113287360 571805552 /nfs/dbraw/zinc/80/55/52/571805552.db2.gz GWCJNVUIVCCXER-RYUDHWBXSA-N 0 0 190.242 2.329 10 30 AEEERN O=C(CC[C@H]1CO1)C12CCC(CC1)C2 710885650 571806357 /nfs/dbraw/zinc/80/63/57/571806357.db2.gz ITRXZDFXMTYTLO-YZRBJQDESA-N 0 0 194.274 2.315 10 30 AEEERN C#CCCCC(=O)c1ccnc(C)c1 235740395 571806519 /nfs/dbraw/zinc/80/65/19/571806519.db2.gz HLLPIYVIGHYMSE-UHFFFAOYSA-N 0 0 187.242 2.376 10 30 AEEERN C=C[C@@H](OC[C@@H]1CO1)c1ccccc1 113287359 571806661 /nfs/dbraw/zinc/80/66/61/571806661.db2.gz GWCJNVUIVCCXER-NWDGAFQWSA-N 0 0 190.242 2.329 10 30 AEEERN C=CCC[C@H]1CC[C@H](O)[C@@H]1C 84876583 571806676 /nfs/dbraw/zinc/80/66/76/571806676.db2.gz NQGYIJFFMPQBFV-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN CCCCCCC(=O)CC#N 38292487 571806914 /nfs/dbraw/zinc/80/69/14/571806914.db2.gz OXHJACFGSYNSCV-UHFFFAOYSA-N 0 0 153.225 2.440 10 30 AEEERN C[C@](C#N)(CCCO)c1ccccc1 113287876 571810048 /nfs/dbraw/zinc/81/00/48/571810048.db2.gz MBFGRSGKNRNEAT-GFCCVEGCSA-N 0 0 189.258 2.240 10 30 AEEERN COc1ccc(CCC[C@@H]2CO2)cc1 38293034 571807316 /nfs/dbraw/zinc/80/73/16/571807316.db2.gz OSHBCWJBOVTCFS-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN CC1CCC([NH2+][C@H](C)CC#N)CC1 37871234 571807352 /nfs/dbraw/zinc/80/73/52/571807352.db2.gz MUGGVQFMMLASPN-HSOILSAZSA-N 0 0 180.295 2.457 10 30 AEEERN CC1=C[C@H]2[C@@H](CC1=O)C2(C)C 3171749 571807929 /nfs/dbraw/zinc/80/79/29/571807929.db2.gz CTZWGIMYGKDLPH-JGVFFNPUSA-N 0 0 150.221 2.178 10 30 AEEERN CC[C@@H](C#N)N(C)[C@H](C)C1CC1 251251459 571807936 /nfs/dbraw/zinc/80/79/36/571807936.db2.gz VXRRKPUEZJNPJJ-SCZZXKLOSA-N 0 0 166.268 2.019 10 30 AEEERN COc1ccc(CCC[C@H]2CO2)cc1 38293035 571807989 /nfs/dbraw/zinc/80/79/89/571807989.db2.gz OSHBCWJBOVTCFS-LBPRGKRZSA-N 0 0 192.258 2.417 10 30 AEEERN C[C@@](C#N)(CCCO)c1ccccc1 113287878 571808045 /nfs/dbraw/zinc/80/80/45/571808045.db2.gz MBFGRSGKNRNEAT-LBPRGKRZSA-N 0 0 189.258 2.240 10 30 AEEERN C=CCN(C)c1c(C)cccc1C#N 221092823 571808101 /nfs/dbraw/zinc/80/81/01/571808101.db2.gz TXDKBQWYGJBORD-UHFFFAOYSA-N 0 0 186.258 2.489 10 30 AEEERN CC[C@@H](C#N)N(C)[C@H](C)C(C)C 251243712 571808377 /nfs/dbraw/zinc/80/83/77/571808377.db2.gz UBUULQZNLGWRIX-ZJUUUORDSA-N 0 0 168.284 2.265 10 30 AEEERN CC1CCC([NH2+][C@@H](C)CC#N)CC1 37871233 571808517 /nfs/dbraw/zinc/80/85/17/571808517.db2.gz MUGGVQFMMLASPN-YVNMAJEFSA-N 0 0 180.295 2.457 10 30 AEEERN CCS/C(C)=C\C(C)=O 205878307 571808960 /nfs/dbraw/zinc/80/89/60/571808960.db2.gz MXHSGKQMUGYLED-ALCCZGGFSA-N 0 0 144.239 2.232 10 30 AEEERN CCn1nccc1C(=O)C=C(C)C 234202448 571809285 /nfs/dbraw/zinc/80/92/85/571809285.db2.gz MPOIBEVRAXNDLI-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN CCO[C@H](C=O)c1ccccc1F 59978302 571809559 /nfs/dbraw/zinc/80/95/59/571809559.db2.gz OMECBHHORGRINN-SNVBAGLBSA-N 0 0 182.194 2.102 10 30 AEEERN CC[C@H](C#N)N(C)[C@H](C)C1CC1 251251454 571809564 /nfs/dbraw/zinc/80/95/64/571809564.db2.gz VXRRKPUEZJNPJJ-PSASIEDQSA-N 0 0 166.268 2.019 10 30 AEEERN CC[C@H](C#N)N(C)[C@H](C)C(C)C 251243703 571810841 /nfs/dbraw/zinc/81/08/41/571810841.db2.gz UBUULQZNLGWRIX-NXEZZACHSA-N 0 0 168.284 2.265 10 30 AEEERN CC#C[C@@H](O)C[C@@H](C)COC(C)(C)C 39341406 571814698 /nfs/dbraw/zinc/81/46/98/571814698.db2.gz GQDHKQAXVHECDK-GHMZBOCLSA-N 0 0 198.306 2.212 10 30 AEEERN CC(C)C[C@H](C)N(C)[C@H](C)C#N 251357343 571813540 /nfs/dbraw/zinc/81/35/40/571813540.db2.gz CRGAZHVILNQLJU-VHSXEESVSA-N 0 0 168.284 2.265 10 30 AEEERN CCC[C@H](C)CN(C)[C@H](C)C#N 251349510 571813871 /nfs/dbraw/zinc/81/38/71/571813871.db2.gz QFSZAVADOQBDAO-VHSXEESVSA-N 0 0 168.284 2.266 10 30 AEEERN C[C@H](CC=O)COC(C)(C)C 39341404 571814033 /nfs/dbraw/zinc/81/40/33/571814033.db2.gz LWUOLHGWBANCNQ-MRVPVSSYSA-N 0 0 158.241 2.027 10 30 AEEERN CC[C@](C)(C#N)NCc1ccccc1 37939458 571814288 /nfs/dbraw/zinc/81/42/88/571814288.db2.gz DJOIHJULAMNSIX-GFCCVEGCSA-N 0 0 188.274 2.468 10 30 AEEERN CCCCC[C@H](C#N)C(=O)OCC 39343518 571814335 /nfs/dbraw/zinc/81/43/35/571814335.db2.gz OKMWRBGVXIVCNF-SECBINFHSA-N 0 0 183.251 2.270 10 30 AEEERN C=CCCC[C@H](O)[C@@H]1CCOC[C@@H]1C 301025886 571814591 /nfs/dbraw/zinc/81/45/91/571814591.db2.gz PHOAHKFXLCVTQI-TUAOUCFPSA-N 0 0 198.306 2.376 10 30 AEEERN C=CCCC[C@H](O)[C@@H]1CCOC[C@H]1C 301025887 571818091 /nfs/dbraw/zinc/81/80/91/571818091.db2.gz PHOAHKFXLCVTQI-UTUOFQBUSA-N 0 0 198.306 2.376 10 30 AEEERN CC[C@@H]1CCCC[C@H]1OC[C@H]1CO1 251668100 571815125 /nfs/dbraw/zinc/81/51/25/571815125.db2.gz HJNDMZXMHCYYHB-GMTAPVOTSA-N 0 0 184.279 2.371 10 30 AEEERN C[C@@H](CC=O)COC(C)(C)C 39341403 571815277 /nfs/dbraw/zinc/81/52/77/571815277.db2.gz LWUOLHGWBANCNQ-QMMMGPOBSA-N 0 0 158.241 2.027 10 30 AEEERN C=CCCC[C@H](O)[C@H]1CCOC[C@@H]1C 301025885 571815282 /nfs/dbraw/zinc/81/52/82/571815282.db2.gz PHOAHKFXLCVTQI-SRVKXCTJSA-N 0 0 198.306 2.376 10 30 AEEERN CC[C@@H](CC#N)N(CC)C[C@H](C)C#N 251402117 571815351 /nfs/dbraw/zinc/81/53/51/571815351.db2.gz ZDYBYPCGLBNXQD-MNOVXSKESA-N 0 0 193.294 2.160 10 30 AEEERN C[C@@H]1CC(=O)C=C(c2cccs2)N1 3950290 571815648 /nfs/dbraw/zinc/81/56/48/571815648.db2.gz GGEIFIDWNQGZHD-SSDOTTSWSA-N 0 0 193.271 2.040 10 30 AEEERN C=CCCC[C@H](O)[C@H]1CCOC[C@H]1C 301025888 571815755 /nfs/dbraw/zinc/81/57/55/571815755.db2.gz PHOAHKFXLCVTQI-WOPDTQHZSA-N 0 0 198.306 2.376 10 30 AEEERN CCCCCCC1=C[C@H](O)CC1=O 39376574 571816087 /nfs/dbraw/zinc/81/60/87/571816087.db2.gz NOPMIDMUBUCWQE-JTQLQIEISA-N 0 0 182.263 2.217 10 30 AEEERN CC[C@H](CC#N)N(CC)C[C@H](C)C#N 251402115 571816120 /nfs/dbraw/zinc/81/61/20/571816120.db2.gz ZDYBYPCGLBNXQD-GHMZBOCLSA-N 0 0 193.294 2.160 10 30 AEEERN CC(C)C[C@@H](C)N(C)[C@H](C)C#N 251357341 571816196 /nfs/dbraw/zinc/81/61/96/571816196.db2.gz CRGAZHVILNQLJU-NXEZZACHSA-N 0 0 168.284 2.265 10 30 AEEERN O/N=C1\CC2(CCCCCC2)CN1 3925045 571816494 /nfs/dbraw/zinc/81/64/94/571816494.db2.gz NPLBUJBMTVKFNN-UHFFFAOYSA-N 0 0 182.267 2.108 10 30 AEEERN CC(=O)C(Cl)=C(C)C 3643631 571816633 /nfs/dbraw/zinc/81/66/33/571816633.db2.gz AFTQMUIVRAUKEM-UHFFFAOYSA-N 0 0 132.590 2.108 10 30 AEEERN CCC[C@@H](C)CN(C)[C@H](C)C#N 251349508 571817055 /nfs/dbraw/zinc/81/70/55/571817055.db2.gz QFSZAVADOQBDAO-NXEZZACHSA-N 0 0 168.284 2.266 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1OC[C@H]1CO1 251668102 571817165 /nfs/dbraw/zinc/81/71/65/571817165.db2.gz HJNDMZXMHCYYHB-MXWKQRLJSA-N 0 0 184.279 2.371 10 30 AEEERN CC=C=Cc1ccccc1 206120485 571821592 /nfs/dbraw/zinc/82/15/92/571821592.db2.gz VFHRONBXWBMAIG-UHFFFAOYSA-N 0 0 129.182 2.262 10 30 AEEERN CN(CC1CC1)c1ccccc1C#N 37903870 571817584 /nfs/dbraw/zinc/81/75/84/571817584.db2.gz IDRYLXPYJLZYGF-UHFFFAOYSA-N 0 0 186.258 2.404 10 30 AEEERN C[C@H]1CCC[C@@](C#N)(NCC2CC2)C1 37946747 571821618 /nfs/dbraw/zinc/82/16/18/571821618.db2.gz ZCHQREDWDJHVEO-CMPLNLGQSA-N 0 0 192.306 2.458 10 30 AEEERN C[C@](C#N)(NC1CCCC1)C1CC1 37968465 571821627 /nfs/dbraw/zinc/82/16/27/571821627.db2.gz MZRYAULHWIHUJE-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(NCC2CC2)C1 37946748 571819209 /nfs/dbraw/zinc/81/92/09/571819209.db2.gz ZCHQREDWDJHVEO-PWSUYJOCSA-N 0 0 192.306 2.458 10 30 AEEERN COC(C)(C)CCOCCCS 234621893 571819630 /nfs/dbraw/zinc/81/96/30/571819630.db2.gz RLSHHEFHJVJYTJ-UHFFFAOYSA-N 0 0 192.324 2.138 10 30 AEEERN C[C@H]1CCC[C@](C#N)(NCC2CC2)C1 37946749 571819841 /nfs/dbraw/zinc/81/98/41/571819841.db2.gz ZCHQREDWDJHVEO-JQWIXIFHSA-N 0 0 192.306 2.458 10 30 AEEERN COCCCC[C@@]1(C#N)CCCOC1 234613473 571819995 /nfs/dbraw/zinc/81/99/95/571819995.db2.gz PLVCGVHHDYPQFL-NSHDSACASA-N 0 0 197.278 2.123 10 30 AEEERN COCCC(=O)C1=CCCCC1 234619640 571820244 /nfs/dbraw/zinc/82/02/44/571820244.db2.gz LKEKESPTOHJDFM-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN CN(CCC#N)C1(C#N)CCCCC1 687802251 571820519 /nfs/dbraw/zinc/82/05/19/571820519.db2.gz WHTKWXHRROVDJY-UHFFFAOYSA-N 0 0 191.278 2.058 10 30 AEEERN CC1CCC(C#N)(NCC2CC2)CC1 37946803 571820590 /nfs/dbraw/zinc/82/05/90/571820590.db2.gz FAHWMWCZODTHQX-UHFFFAOYSA-N 0 0 192.306 2.458 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)NCC1CC1 37946736 571820686 /nfs/dbraw/zinc/82/06/86/571820686.db2.gz WOCLWRUPMVWAQX-ZYHUDNBSSA-N 0 0 192.306 2.458 10 30 AEEERN C#CCCC[C@H](O)c1ccnc(C)c1 235749699 571820798 /nfs/dbraw/zinc/82/07/98/571820798.db2.gz QJAITWUGUNRGEB-LBPRGKRZSA-N 0 0 189.258 2.227 10 30 AEEERN O=CCCCC[C@@H]1CCCCO1 75560077 571820863 /nfs/dbraw/zinc/82/08/63/571820863.db2.gz KRIPLJPFGLTXPG-SNVBAGLBSA-N 0 0 170.252 2.315 10 30 AEEERN CC(C)=CCOCC(C)(C)C=O 75560296 571820911 /nfs/dbraw/zinc/82/09/11/571820911.db2.gz AQEYWJGHRVINIB-UHFFFAOYSA-N 0 0 170.252 2.194 10 30 AEEERN CC(C)Oc1cccc(CC=O)c1 75420954 571821067 /nfs/dbraw/zinc/82/10/67/571821067.db2.gz JMLSYAAMAWLCOI-UHFFFAOYSA-N 0 0 178.231 2.215 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)NCC1CC1 37946734 571821217 /nfs/dbraw/zinc/82/12/17/571821217.db2.gz WOCLWRUPMVWAQX-PWSUYJOCSA-N 0 0 192.306 2.458 10 30 AEEERN C#CC[C@H](O)c1ccc(OCC)cc1 75421048 571821224 /nfs/dbraw/zinc/82/12/24/571821224.db2.gz BGZHUQVVFOZQFE-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN COCCCC[C@]1(C#N)CCCOC1 234617414 571821285 /nfs/dbraw/zinc/82/12/85/571821285.db2.gz PLVCGVHHDYPQFL-LLVKDONJSA-N 0 0 197.278 2.123 10 30 AEEERN C#CC[C@@H](O)c1ccc(OCC)cc1 75421047 571821384 /nfs/dbraw/zinc/82/13/84/571821384.db2.gz BGZHUQVVFOZQFE-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN C=CCC[C@H](O)c1ccnc(C)c1 235749637 571821669 /nfs/dbraw/zinc/82/16/69/571821669.db2.gz SJQCENKZPKOKSZ-NSHDSACASA-N 0 0 177.247 2.390 10 30 AEEERN COC(C)(C)CCOCCCC#N 234616624 571821685 /nfs/dbraw/zinc/82/16/85/571821685.db2.gz YYJASAWYHXLRGG-UHFFFAOYSA-N 0 0 185.267 2.122 10 30 AEEERN C#CCCC(=O)c1cccc(OC)c1 75421540 571821697 /nfs/dbraw/zinc/82/16/97/571821697.db2.gz FCKGNGZJASDILN-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN CC(=O)CC1C(=O)CC(C)(C)CC1=O 4001950 571821888 /nfs/dbraw/zinc/82/18/88/571821888.db2.gz GNSOXUGOIUIPBN-UHFFFAOYSA-N 0 0 196.246 2.167 10 30 AEEERN C[C@H]1CCCC[C@@]1(C#N)NCC1CC1 37946735 571822118 /nfs/dbraw/zinc/82/21/18/571822118.db2.gz WOCLWRUPMVWAQX-JQWIXIFHSA-N 0 0 192.306 2.458 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(NCC2CC2)C1 37946746 571822122 /nfs/dbraw/zinc/82/21/22/571822122.db2.gz ZCHQREDWDJHVEO-ZYHUDNBSSA-N 0 0 192.306 2.458 10 30 AEEERN O=CCCCCc1ccco1 75539501 571822224 /nfs/dbraw/zinc/82/22/24/571822224.db2.gz WVGSJFWBCHPSBE-UHFFFAOYSA-N 0 0 152.193 2.191 10 30 AEEERN C=CC[C@H]1CCC=CC1=O 4533170 571822225 /nfs/dbraw/zinc/82/22/25/571822225.db2.gz HJSAQZVJLDHEFJ-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN CC[C@H]1CC(=O)C(=C(C)C)O1 39059513 571824812 /nfs/dbraw/zinc/82/48/12/571824812.db2.gz MGZCLWOMOMVPLI-ZETCQYMHSA-N 0 0 154.209 2.048 10 30 AEEERN C=CC[C@@H]1CCC=CC1=O 4533169 571822579 /nfs/dbraw/zinc/82/25/79/571822579.db2.gz HJSAQZVJLDHEFJ-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN CC1=CC(=O)[C@H](C)C[C@H]1C 4538703 571822584 /nfs/dbraw/zinc/82/25/84/571822584.db2.gz AKMAQPMOEODCES-HTRCEHHLSA-N 0 0 138.210 2.178 10 30 AEEERN CC1C(=O)[C@H](C)C[C@@H](C)C1=O 4530935 571823945 /nfs/dbraw/zinc/82/39/45/571823945.db2.gz BQAZZGWREFKQNH-PHDIDXHHSA-N 0 0 154.209 2.063 10 30 AEEERN C=C(CC)C[C@H](O)[C@H]1CCOC[C@H]1C 301032877 571824049 /nfs/dbraw/zinc/82/40/49/571824049.db2.gz SCKXVZNLGGLEAH-WOPDTQHZSA-N 0 0 198.306 2.376 10 30 AEEERN CCc1c(CC#N)ccc2c1OCO2 214549410 571824300 /nfs/dbraw/zinc/82/43/00/571824300.db2.gz ADYBRIVFECUVOH-UHFFFAOYSA-N 0 0 189.214 2.044 10 30 AEEERN CCc1cc2c(cc1CC#N)OCO2 214549761 571824368 /nfs/dbraw/zinc/82/43/68/571824368.db2.gz YAVFXKTUSRYIFC-UHFFFAOYSA-N 0 0 189.214 2.044 10 30 AEEERN C=C(CC)C[C@H](O)[C@@H]1CCOC[C@@H]1C 301032875 571824779 /nfs/dbraw/zinc/82/47/79/571824779.db2.gz SCKXVZNLGGLEAH-TUAOUCFPSA-N 0 0 198.306 2.376 10 30 AEEERN CCC[C@](O)(C1CCC1)[C@H](C)C#N 323752464 571825338 /nfs/dbraw/zinc/82/53/38/571825338.db2.gz VCWGGHJVZJJPDY-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C=C(CC)C[C@H](O)[C@@H]1CCOC[C@H]1C 301032876 571825608 /nfs/dbraw/zinc/82/56/08/571825608.db2.gz SCKXVZNLGGLEAH-UTUOFQBUSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(CC)C[C@H](O)[C@H]1CCOC[C@@H]1C 301032874 571825645 /nfs/dbraw/zinc/82/56/45/571825645.db2.gz SCKXVZNLGGLEAH-SRVKXCTJSA-N 0 0 198.306 2.376 10 30 AEEERN Cc1ccc2oc(=N)c(C#N)cc2c1 67341950 571825920 /nfs/dbraw/zinc/82/59/20/571825920.db2.gz YGDYZAGSTINVEI-UHFFFAOYSA-N 0 0 184.198 2.092 10 30 AEEERN C/C=C/C(=O)c1c(Cl)cnn1CC 234209796 571826725 /nfs/dbraw/zinc/82/67/25/571826725.db2.gz QPDUMXHRSNWJRR-HWKANZROSA-N 0 0 198.653 2.315 10 30 AEEERN CC1=CC(=O)[C@@H](C)C[C@@H]1C 4538702 571826768 /nfs/dbraw/zinc/82/67/68/571826768.db2.gz AKMAQPMOEODCES-XPUUQOCRSA-N 0 0 138.210 2.178 10 30 AEEERN CC#CCC[C@H](O)CC1(OC)CCC1 234628925 571828279 /nfs/dbraw/zinc/82/82/79/571828279.db2.gz XZVFDIXQOQQWTB-NSHDSACASA-N 0 0 196.290 2.110 10 30 AEEERN CC(C)C[C@H](C#N)C(=O)[C@H]1C[C@H]1C 252124737 571827377 /nfs/dbraw/zinc/82/73/77/571827377.db2.gz LGQFUMRSAGLCEW-BBBLOLIVSA-N 0 0 179.263 2.397 10 30 AEEERN C=C[C@@H](O)CC/C=C\CCC#N 207129965 571827584 /nfs/dbraw/zinc/82/75/84/571827584.db2.gz ISSVLHOOBGQYLO-UMBAGQNISA-N 0 0 165.236 2.173 10 30 AEEERN CC#C[C@@H](O)/C=C\c1ccccc1 207263538 571827986 /nfs/dbraw/zinc/82/79/86/571827986.db2.gz NWKICEGCJJPHGT-ZWLSGLHFSA-N 0 0 172.227 2.084 10 30 AEEERN C=C[C@@H](S[C@H](C)CC)C(=O)OC 301038043 571828077 /nfs/dbraw/zinc/82/80/77/571828077.db2.gz UZXVPZPVANHOJJ-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN C=CCC[C@H](O)CC1(OC)CCC1 234629148 571828572 /nfs/dbraw/zinc/82/85/72/571828572.db2.gz KTKORNZIIWITRY-JTQLQIEISA-N 0 0 184.279 2.273 10 30 AEEERN C=C(C)CC[C@H](O)[C@@H]1CCOC[C@H]1C 301034822 571828622 /nfs/dbraw/zinc/82/86/22/571828622.db2.gz SVWIZXVIEHYOMR-UTUOFQBUSA-N 0 0 198.306 2.376 10 30 AEEERN CC1C(=O)CC(C)(C)CC1=O 4879843 571828668 /nfs/dbraw/zinc/82/86/68/571828668.db2.gz QLXUWGOWUGBIMG-UHFFFAOYSA-N 0 0 154.209 2.208 10 30 AEEERN C=C(C)C[C@H](O)CC1(OC)CCC1 234628783 571828859 /nfs/dbraw/zinc/82/88/59/571828859.db2.gz SITVZWWWGODVBT-JTQLQIEISA-N 0 0 184.279 2.273 10 30 AEEERN N#C[C@]1(Cl)C[C@H]2CC[C@@H]1C2 4921439 571828967 /nfs/dbraw/zinc/82/89/67/571828967.db2.gz WPEOPSGMVYBPAE-XLPZGREQSA-N 0 0 155.628 2.308 10 30 AEEERN CC(C)CC=CC(O)=CC=O 206953762 571829052 /nfs/dbraw/zinc/82/90/52/571829052.db2.gz PMWGCQSKMHBFIW-VKLRWAGZSA-N 0 0 154.209 2.230 10 30 AEEERN C#CCCC[C@@H](O)CC1(OC)CCC1 234632250 571832943 /nfs/dbraw/zinc/83/29/43/571832943.db2.gz YEWGOYKYNQZJPF-LLVKDONJSA-N 0 0 196.290 2.110 10 30 AEEERN C=C(C)CC[C@H](O)[C@H]1CCOC[C@H]1C 301034823 571829471 /nfs/dbraw/zinc/82/94/71/571829471.db2.gz SVWIZXVIEHYOMR-WOPDTQHZSA-N 0 0 198.306 2.376 10 30 AEEERN CCC[C@@](C)(O)C#C[Si](C)(C)C 207626380 571829620 /nfs/dbraw/zinc/82/96/20/571829620.db2.gz WUENFGSJOULVLT-SNVBAGLBSA-N 0 0 184.355 2.418 10 30 AEEERN CCCOc1cccc(C=NO)c1 252364456 571829738 /nfs/dbraw/zinc/82/97/38/571829738.db2.gz HKCFYTITPPOKOL-UHFFFAOYSA-N 0 0 179.219 2.284 10 30 AEEERN CCC(=O)/C=C\c1ccco1 78204068 571829799 /nfs/dbraw/zinc/82/97/99/571829799.db2.gz BLLCEPOZXPTCMS-WAYWQWQTSA-N 0 0 150.177 2.272 10 30 AEEERN C=C(C)CC[C@H](O)[C@@H]1CCOC[C@@H]1C 301034821 571829945 /nfs/dbraw/zinc/82/99/45/571829945.db2.gz SVWIZXVIEHYOMR-TUAOUCFPSA-N 0 0 198.306 2.376 10 30 AEEERN C#CC[C@@]1(C=O)CC=C(C)CC1 206370946 571830032 /nfs/dbraw/zinc/83/00/32/571830032.db2.gz QJVXFGVTZXGDAH-LLVKDONJSA-N 0 0 162.232 2.325 10 30 AEEERN C=C[C@H](S[C@H](C)CC)C(=O)OC 301038045 571830128 /nfs/dbraw/zinc/83/01/28/571830128.db2.gz UZXVPZPVANHOJJ-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN C#C[C@H](C)Nc1c(C)cccc1C#N 221118314 571830154 /nfs/dbraw/zinc/83/01/54/571830154.db2.gz HOTGWPCDSHYPAG-JTQLQIEISA-N 0 0 184.242 2.300 10 30 AEEERN C=CC(=O)/C=C\CCCC 206930228 571830168 /nfs/dbraw/zinc/83/01/68/571830168.db2.gz MOVXKMSUOMAUMJ-FPLPWBNLSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C)/C=C\C(=O)C(C)(C)CC=O 206995162 571830247 /nfs/dbraw/zinc/83/02/47/571830247.db2.gz VLROLRWDBIPABZ-WAYWQWQTSA-N 0 0 180.247 2.303 10 30 AEEERN C=C[C@H](S[C@@H](C)CC)C(=O)OC 301038046 571830311 /nfs/dbraw/zinc/83/03/11/571830311.db2.gz UZXVPZPVANHOJJ-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN C#CCCC[C@H](O)CC1(OC)CCC1 234629193 571830399 /nfs/dbraw/zinc/83/03/99/571830399.db2.gz YEWGOYKYNQZJPF-NSHDSACASA-N 0 0 196.290 2.110 10 30 AEEERN O=C1C=C2CCC[C@H]2CC1 5082241 571831406 /nfs/dbraw/zinc/83/14/06/571831406.db2.gz LDRDSZBEUAPYIR-ZETCQYMHSA-N 0 0 136.194 2.076 10 30 AEEERN C/C(=N/N(C)C)c1ccc(F)cc1 5124543 571831468 /nfs/dbraw/zinc/83/14/68/571831468.db2.gz OARPCZQIXBAAAW-WQLSENKSSA-N 0 0 180.226 2.111 10 30 AEEERN C#CC[C@]1(C=O)CC=C(C)CC1 206370980 571831663 /nfs/dbraw/zinc/83/16/63/571831663.db2.gz QJVXFGVTZXGDAH-NSHDSACASA-N 0 0 162.232 2.325 10 30 AEEERN C=C(C)CC[C@H](O)[C@H]1CCOC[C@@H]1C 301034820 571831726 /nfs/dbraw/zinc/83/17/26/571831726.db2.gz SVWIZXVIEHYOMR-SRVKXCTJSA-N 0 0 198.306 2.376 10 30 AEEERN CCCC[C@@H](C#N)CC(C)=O 39647959 571833376 /nfs/dbraw/zinc/83/33/76/571833376.db2.gz UHMCGHHJKFNNPO-SECBINFHSA-N 0 0 153.225 2.295 10 30 AEEERN C=CCC[C@@H](O)CC1(OC)CCC1 234632214 571833396 /nfs/dbraw/zinc/83/33/96/571833396.db2.gz KTKORNZIIWITRY-SNVBAGLBSA-N 0 0 184.279 2.273 10 30 AEEERN O=C1C=C2C=CCC[C@@H]2CC1 5081084 571832211 /nfs/dbraw/zinc/83/22/11/571832211.db2.gz DXIKCYRJHPXRGV-MRVPVSSYSA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@H](C#N)CCC 122488621 571832605 /nfs/dbraw/zinc/83/26/05/571832605.db2.gz YFEPOHSQTHXBDM-UWVGGRQHSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(C)C[C@@H](O)CC1(OC)CCC1 234631916 571832627 /nfs/dbraw/zinc/83/26/27/571832627.db2.gz SITVZWWWGODVBT-SNVBAGLBSA-N 0 0 184.279 2.273 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@@H](C#N)CCC 122489297 571832781 /nfs/dbraw/zinc/83/27/81/571832781.db2.gz YFEPOHSQTHXBDM-NXEZZACHSA-N 0 0 194.278 2.007 10 30 AEEERN CC(C)C1C(=O)CCCC1=O 5114387 571832803 /nfs/dbraw/zinc/83/28/03/571832803.db2.gz MAEUZYXOCDXXOV-UHFFFAOYSA-N 0 0 154.209 2.208 10 30 AEEERN C/C(=N/N(C)C)c1cccs1 5124595 571832906 /nfs/dbraw/zinc/83/29/06/571832906.db2.gz ASVVTCDVWKXFGH-CLFYSBASSA-N 0 0 168.265 2.034 10 30 AEEERN CC#CCC[C@@H](O)CC1(OC)CCC1 234632044 571832911 /nfs/dbraw/zinc/83/29/11/571832911.db2.gz XZVFDIXQOQQWTB-LLVKDONJSA-N 0 0 196.290 2.110 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@H](C#N)CCC 122488865 571833028 /nfs/dbraw/zinc/83/30/28/571833028.db2.gz YFEPOHSQTHXBDM-VHSXEESVSA-N 0 0 194.278 2.007 10 30 AEEERN O=C[C@@H]1O[C@H]1c1ccc2ccccc2c1 144917095 571833495 /nfs/dbraw/zinc/83/34/95/571833495.db2.gz HORKPIFCPJNNIL-STQMWFEESA-N 0 0 198.221 2.479 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)[C@@H]2C=O 5045565 571833891 /nfs/dbraw/zinc/83/38/91/571833891.db2.gz AGTSNXAZDKAPHU-QXFUBDJGSA-N 0 0 152.237 2.258 10 30 AEEERN C=C1CCC(CCO)CC1 138992917 571836128 /nfs/dbraw/zinc/83/61/28/571836128.db2.gz GFQLSHLZJDKGDT-UHFFFAOYSA-N 0 0 140.226 2.115 10 30 AEEERN Cc1cc(C)c(/C=N\O)cc1C 206879903 571834516 /nfs/dbraw/zinc/83/45/16/571834516.db2.gz VKVOHEWMMQBPMJ-WDZFZDKYSA-N 0 0 163.220 2.420 10 30 AEEERN C=C(C)C1(C(=C)C)CCC1=O 206380788 571835402 /nfs/dbraw/zinc/83/54/02/571835402.db2.gz QUMLPNRCTYIVPN-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CCCCCCC(=O)OCCS 5298758 571835815 /nfs/dbraw/zinc/83/58/15/571835815.db2.gz RAQXZZCIQKGGNI-UHFFFAOYSA-N 0 0 190.308 2.430 10 30 AEEERN C[C@@]1(C=O)C[C@H]2CC[C@@H]1C2 38220182 571836197 /nfs/dbraw/zinc/83/61/97/571836197.db2.gz RKFWEHDUTACQKS-YIZRAAEISA-N 0 0 138.210 2.012 10 30 AEEERN C=C(C)CC(=C)C(C)=O 5158278 571836248 /nfs/dbraw/zinc/83/62/48/571836248.db2.gz WEAGIKYKIOBREP-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=C1C(C)=CC(=O)C[C@@H]1C 38233878 571836307 /nfs/dbraw/zinc/83/63/07/571836307.db2.gz WTXBKEQYSGNKCO-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN O=C1C=Cc2ccccc2C1(F)F 38220617 571836311 /nfs/dbraw/zinc/83/63/11/571836311.db2.gz RRFBVUABDWLHRP-UHFFFAOYSA-N 0 0 180.153 2.374 10 30 AEEERN CCOC1=CC(=O)[C@H](C)[C@H](C)C1 38234229 571836481 /nfs/dbraw/zinc/83/64/81/571836481.db2.gz VSSQGENRRQZMHX-HTQZYQBOSA-N 0 0 168.236 2.152 10 30 AEEERN CC1=C(C)C[C@@H]2C=CC(=O)[C@H]2C1 38234114 571836863 /nfs/dbraw/zinc/83/68/63/571836863.db2.gz ATDAWVPQNAWHFT-UWVGGRQHSA-N 0 0 162.232 2.488 10 30 AEEERN c1coc(CN=Nc2nccs2)c1 38205381 571836886 /nfs/dbraw/zinc/83/68/86/571836886.db2.gz FKUPSAXVWJOZMQ-POHAHGRESA-N 0 0 193.231 2.182 10 30 AEEERN CCOC1=CC(=O)[C@H](C)[C@@H](C)C1 38234233 571836938 /nfs/dbraw/zinc/83/69/38/571836938.db2.gz VSSQGENRRQZMHX-JGVFFNPUSA-N 0 0 168.236 2.152 10 30 AEEERN C#C[C@@H](C)Nc1c(C)cccc1C#N 221118246 571836987 /nfs/dbraw/zinc/83/69/87/571836987.db2.gz HOTGWPCDSHYPAG-SNVBAGLBSA-N 0 0 184.242 2.300 10 30 AEEERN CN(C)c1ccc(/C=C/C=N/O)cc1 5140509 571837003 /nfs/dbraw/zinc/83/70/03/571837003.db2.gz VVXNJNRNJLPFCT-GMHKHPCXSA-N 0 0 190.246 2.226 10 30 AEEERN CCOC1=CC(=O)[C@@H](C)[C@@H](C)C1 38234235 571837059 /nfs/dbraw/zinc/83/70/59/571837059.db2.gz VSSQGENRRQZMHX-YUMQZZPRSA-N 0 0 168.236 2.152 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccccc1N 38416440 571837064 /nfs/dbraw/zinc/83/70/64/571837064.db2.gz ZOAPWJIXOAGEPJ-QMMMGPOBSA-N 0 0 191.230 2.000 10 30 AEEERN C#CC[C@@]1(C)C=CC=C(C)C1=O 38220355 571837178 /nfs/dbraw/zinc/83/71/78/571837178.db2.gz HNCGCDWUYLGEJL-NSHDSACASA-N 0 0 160.216 2.101 10 30 AEEERN Cc1ccoc1CCC#N 38212562 571837362 /nfs/dbraw/zinc/83/73/62/571837362.db2.gz AIJVHGHAUTXCCM-UHFFFAOYSA-N 0 0 135.166 2.044 10 30 AEEERN C=C[C@@H](C)N(CC)C[C@H](C)C#N 252439875 571837416 /nfs/dbraw/zinc/83/74/16/571837416.db2.gz UIECPUOVNVMUKQ-NXEZZACHSA-N 0 0 166.268 2.042 10 30 AEEERN N=C(NCl)c1ccc(Cl)cc1 38212676 571837474 /nfs/dbraw/zinc/83/74/74/571837474.db2.gz AEISSDLLDFNQLQ-UHFFFAOYSA-N 0 0 189.045 2.199 10 30 AEEERN N#Cc1cccc([C@@H]2CC[C@@H](O)C2)c1 38212664 571837770 /nfs/dbraw/zinc/83/77/70/571837770.db2.gz HJJGASHNGAYSTB-VXGBXAGGSA-N 0 0 187.242 2.187 10 30 AEEERN CSc1cccc(CC#N)c1 38234128 571837787 /nfs/dbraw/zinc/83/77/87/571837787.db2.gz YGPPDGSFUORYIQ-UHFFFAOYSA-N 0 0 163.245 2.475 10 30 AEEERN Cc1ccc([C@H](O)[C@@H](C)S)cc1 5332498 571837788 /nfs/dbraw/zinc/83/77/88/571837788.db2.gz RPEYEIZMCVVZOK-PSASIEDQSA-N 0 0 182.288 2.347 10 30 AEEERN C#CC[C@]1(C)C=CC=C(C)C1=O 38220354 571838087 /nfs/dbraw/zinc/83/80/87/571838087.db2.gz HNCGCDWUYLGEJL-LLVKDONJSA-N 0 0 160.216 2.101 10 30 AEEERN C=C1C(C)=CC(=O)C[C@H]1C 38233877 571838272 /nfs/dbraw/zinc/83/82/72/571838272.db2.gz WTXBKEQYSGNKCO-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN CCOC1=CC(=O)[C@@H](C)[C@H](C)C1 38234231 571838291 /nfs/dbraw/zinc/83/82/91/571838291.db2.gz VSSQGENRRQZMHX-SFYZADRCSA-N 0 0 168.236 2.152 10 30 AEEERN O=C1C(=O)c2ccccc2C=C1Cl 38266565 571840120 /nfs/dbraw/zinc/84/01/20/571840120.db2.gz MEMRDSMVFLMGRE-UHFFFAOYSA-N 0 0 192.601 2.032 10 30 AEEERN C=C1C(C)=CC(=O)C(C)(C)[C@@H]1F 38246839 571840458 /nfs/dbraw/zinc/84/04/58/571840458.db2.gz SHFUHRBTQYMGAR-SECBINFHSA-N 0 0 168.211 2.436 10 30 AEEERN CC1=CC(=O)[C@@H](C(C)C)C1 5340738 571838519 /nfs/dbraw/zinc/83/85/19/571838519.db2.gz PVHDVKUYSLYVFQ-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc([C@@H](O)[C@H](C)S)cc1 5332504 571838693 /nfs/dbraw/zinc/83/86/93/571838693.db2.gz RPEYEIZMCVVZOK-WPRPVWTQSA-N 0 0 182.288 2.347 10 30 AEEERN Cc1ccc([C@@H](O)[C@@H](C)S)cc1 5332502 571838725 /nfs/dbraw/zinc/83/87/25/571838725.db2.gz RPEYEIZMCVVZOK-SCZZXKLOSA-N 0 0 182.288 2.347 10 30 AEEERN C[C@H]1CCC2=C(CCCC2=O)O1 38251178 571838732 /nfs/dbraw/zinc/83/87/32/571838732.db2.gz YJLBDKPJLLOXEJ-ZETCQYMHSA-N 0 0 166.220 2.192 10 30 AEEERN CC[C@H](C)C[C@@H](C)C=O 38265185 571838778 /nfs/dbraw/zinc/83/87/78/571838778.db2.gz MTTYIWPARUGWCA-JGVFFNPUSA-N 0 0 128.215 2.258 10 30 AEEERN CC[C@@H](C)C[C@H](C)C=O 38265187 571838959 /nfs/dbraw/zinc/83/89/59/571838959.db2.gz MTTYIWPARUGWCA-SFYZADRCSA-N 0 0 128.215 2.258 10 30 AEEERN C=C1C(C)=CC(=O)C(C)(C)[C@H]1F 38246840 571838973 /nfs/dbraw/zinc/83/89/73/571838973.db2.gz SHFUHRBTQYMGAR-VIFPVBQESA-N 0 0 168.211 2.436 10 30 AEEERN CN=C(Nc1cccc(F)c1)SC 28132619 571839103 /nfs/dbraw/zinc/83/91/03/571839103.db2.gz VDNOQCHVROVIAG-UHFFFAOYSA-N 0 0 198.266 2.396 10 30 AEEERN CC(=O)c1ccc(CCC#N)cc1 38265892 571839228 /nfs/dbraw/zinc/83/92/28/571839228.db2.gz NTRCGXBLWOUONG-UHFFFAOYSA-N 0 0 173.215 2.345 10 30 AEEERN C=CCCC1=CCCC1=O 38250919 571839340 /nfs/dbraw/zinc/83/93/40/571839340.db2.gz DUSOYQJHFRDJTJ-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C=C1C(=O)[C@@H]2[C@H](C[C@H]1C)C2(C)C 38251150 571839349 /nfs/dbraw/zinc/83/93/49/571839349.db2.gz MFRKBDITAQENNW-YEPSODPASA-N 0 0 164.248 2.424 10 30 AEEERN CC[C@H](C)C[C@H](C)C=O 38265189 571839435 /nfs/dbraw/zinc/83/94/35/571839435.db2.gz MTTYIWPARUGWCA-YUMQZZPRSA-N 0 0 128.215 2.258 10 30 AEEERN C=C[C@@H](O)C[C@@H](O)CCCCCC 34589661 571839461 /nfs/dbraw/zinc/83/94/61/571839461.db2.gz XROGKYRFXZRYJP-MNOVXSKESA-N 0 0 186.295 2.255 10 30 AEEERN C[C@H](C=O)SC(C)(C)C 38292439 571841741 /nfs/dbraw/zinc/84/17/41/571841741.db2.gz WBBRGNNGJWKGOE-ZCFIWIBFSA-N 0 0 146.255 2.106 10 30 AEEERN ON=C1CCCC12CCC2 394864937 571839584 /nfs/dbraw/zinc/83/95/84/571839584.db2.gz OILHNTGSASEWIL-UHFFFAOYSA-N 0 0 139.198 2.171 10 30 AEEERN C=C(C)[C@@H]1CC[C@@]1(C)C=O 38292382 571841673 /nfs/dbraw/zinc/84/16/73/571841673.db2.gz LEYSVOVBFRYWLY-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=C(C)C(=O)CCCC1 38265261 571839752 /nfs/dbraw/zinc/83/97/52/571839752.db2.gz KWZFPOHJOQEDGI-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CCC1C(=O)C(=O)C[C@H]1CC 206397240 571839765 /nfs/dbraw/zinc/83/97/65/571839765.db2.gz MGQOORIGOISJOQ-ZCFIWIBFSA-N 0 0 154.209 2.208 10 30 AEEERN Cn1cccc1[C@H]1CCC[C@H]1C=O 38276423 571839766 /nfs/dbraw/zinc/83/97/66/571839766.db2.gz SCEUYGYPSXRQJN-UWVGGRQHSA-N 0 0 177.247 2.108 10 30 AEEERN CC1=CC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 38265925 571839771 /nfs/dbraw/zinc/83/97/71/571839771.db2.gz YANRTVRYZZUBTK-MIZYBKAJSA-N 0 0 174.243 2.344 10 30 AEEERN CO[C@@H](C(=O)C=C(C)C)C(C)C 131967559 571839788 /nfs/dbraw/zinc/83/97/88/571839788.db2.gz QIODJHJSZDJNHH-SNVBAGLBSA-N 0 0 170.252 2.193 10 30 AEEERN C[C@@H]1C=CC(=O)C[C@H]1C(C)(C)C#N 38266004 571839795 /nfs/dbraw/zinc/83/97/95/571839795.db2.gz JPIKCBTUGPPBJT-PSASIEDQSA-N 0 0 177.247 2.317 10 30 AEEERN C=C[C@H](O)C[C@@H](O)CCCCCC 34589665 571839804 /nfs/dbraw/zinc/83/98/04/571839804.db2.gz XROGKYRFXZRYJP-QWRGUYRKSA-N 0 0 186.295 2.255 10 30 AEEERN CCCCCC[C@@H](O)CS 38292565 571841752 /nfs/dbraw/zinc/84/17/52/571841752.db2.gz GTVGVAFFSQJASP-MRVPVSSYSA-N 0 0 162.298 2.248 10 30 AEEERN C[C@]12CC[C@H](C1)C1(CC1)[C@@H]2C=O 38258420 571839934 /nfs/dbraw/zinc/83/99/34/571839934.db2.gz VYRWYJIMZMLNTH-BBBLOLIVSA-N 0 0 164.248 2.402 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(CC=O)C2 38265019 571839978 /nfs/dbraw/zinc/83/99/78/571839978.db2.gz ARNNVKHHUZYGSK-YUSALJHKSA-N 0 0 196.290 2.153 10 30 AEEERN CC[C@@](C)(C#N)c1ccccn1 38276377 571840123 /nfs/dbraw/zinc/84/01/23/571840123.db2.gz SQIDALILVCJOHL-JTQLQIEISA-N 0 0 160.220 2.273 10 30 AEEERN C=C[C@@H]1CCC2=C1C(=O)CC2 28203860 571840127 /nfs/dbraw/zinc/84/01/27/571840127.db2.gz QQYHKNBNNISPLX-SSDOTTSWSA-N 0 0 148.205 2.242 10 30 AEEERN CCc1cccc(CCC=O)c1 78771856 571840137 /nfs/dbraw/zinc/84/01/37/571840137.db2.gz VDZAXLAQKHFHBV-UHFFFAOYSA-N 0 0 162.232 2.381 10 30 AEEERN C[C@@H]1CC(=O)C2=CCC[C@@H]2C1 38265402 571840197 /nfs/dbraw/zinc/84/01/97/571840197.db2.gz QXWBRNRPZOJQAE-JGVFFNPUSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(=O)C1=CC=CC=CC1 38265367 571840223 /nfs/dbraw/zinc/84/02/23/571840223.db2.gz GTXRHUICFNLXSL-UHFFFAOYSA-N 0 0 146.189 2.184 10 30 AEEERN CC[C@@H]1CCC2=C1C(=O)CC2 28112948 571840236 /nfs/dbraw/zinc/84/02/36/571840236.db2.gz QAMBTBNLUIAOBV-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN C[C@@H]1CCC2=C(CCCC2=O)O1 38251176 571840483 /nfs/dbraw/zinc/84/04/83/571840483.db2.gz YJLBDKPJLLOXEJ-SSDOTTSWSA-N 0 0 166.220 2.192 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C)C(O)=C1C=O 38251448 571840591 /nfs/dbraw/zinc/84/05/91/571840591.db2.gz NCBQRBQCIKKGPR-KXUCPTDWSA-N 0 0 182.263 2.073 10 30 AEEERN CC[C@](C)(C#N)c1ccccn1 38276378 571840670 /nfs/dbraw/zinc/84/06/70/571840670.db2.gz SQIDALILVCJOHL-SNVBAGLBSA-N 0 0 160.220 2.273 10 30 AEEERN C=C(C)[C@@H]1CCC=CC(=O)C1 5601364 571840793 /nfs/dbraw/zinc/84/07/93/571840793.db2.gz VEJZRLFFNKMQSO-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CC/C=C1\CCCCC1=O 38282008 571840918 /nfs/dbraw/zinc/84/09/18/571840918.db2.gz AZOKXMIHWQXFBU-VMPITWQZSA-N 0 0 138.210 2.466 10 30 AEEERN CC(C)(C)[C@@H](O)CC1=CC(=O)CCC1 38293082 571840958 /nfs/dbraw/zinc/84/09/58/571840958.db2.gz QOHDIXNMXLFGIC-NSHDSACASA-N 0 0 196.290 2.463 10 30 AEEERN CCCCCC[C@H](O)CS 38292564 571841050 /nfs/dbraw/zinc/84/10/50/571841050.db2.gz GTVGVAFFSQJASP-QMMMGPOBSA-N 0 0 162.298 2.248 10 30 AEEERN CC1(C)CC2=CC(=O)C[C@H]2C1 38282101 571841087 /nfs/dbraw/zinc/84/10/87/571841087.db2.gz ONSHBJRWXKOFHE-QMMMGPOBSA-N 0 0 150.221 2.322 10 30 AEEERN O=C1C=C(C2=CCCCO2)CCC1 38282405 571841101 /nfs/dbraw/zinc/84/11/01/571841101.db2.gz LKAZZYNEWHTSOB-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN Cc1cc(C)n2ccc(C#N)c2c1 38301610 571841219 /nfs/dbraw/zinc/84/12/19/571841219.db2.gz XGILMEPZPJCOSZ-UHFFFAOYSA-N 0 0 170.215 2.428 10 30 AEEERN CC#CCCC(=O)[C@@H](OC)C(C)C 131963218 571841333 /nfs/dbraw/zinc/84/13/33/571841333.db2.gz CZAMEJVZPGDMBH-NSHDSACASA-N 0 0 182.263 2.030 10 30 AEEERN C[C@@]1(CC=O)Cc2ccccc2C1=O 38301773 571841398 /nfs/dbraw/zinc/84/13/98/571841398.db2.gz RLKNRHGWYHIQIM-GFCCVEGCSA-N 0 0 188.226 2.021 10 30 AEEERN C[C@@]1(c2ccccc2)C=CC(=O)C1 38312349 571841401 /nfs/dbraw/zinc/84/14/01/571841401.db2.gz SXHZXSGKGZNPBR-GFCCVEGCSA-N 0 0 172.227 2.473 10 30 AEEERN CC(=O)/C=C/CCCC[C@@H]1CO1 38324927 571844222 /nfs/dbraw/zinc/84/42/22/571844222.db2.gz RHWMIXRIKDNMPN-DFVUYQKZSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)C=C1C 38282103 571841571 /nfs/dbraw/zinc/84/15/71/571841571.db2.gz CWRPSUHIWDAIBF-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CCCCCCC#C[C@@]1(C)O[C@H]1CO 208390273 571841683 /nfs/dbraw/zinc/84/16/83/571841683.db2.gz JODZUISRLALUJE-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN C[C@]1(CC=O)Cc2ccccc2C1=O 38301772 571841778 /nfs/dbraw/zinc/84/17/78/571841778.db2.gz RLKNRHGWYHIQIM-LBPRGKRZSA-N 0 0 188.226 2.021 10 30 AEEERN CC1(C)CC2=CC(=O)C[C@@H]2C1 38282102 571841787 /nfs/dbraw/zinc/84/17/87/571841787.db2.gz ONSHBJRWXKOFHE-MRVPVSSYSA-N 0 0 150.221 2.322 10 30 AEEERN CCCCSCCC=O 5514473 571841802 /nfs/dbraw/zinc/84/18/02/571841802.db2.gz QUTRYMHYEIGSRX-UHFFFAOYSA-N 0 0 146.255 2.109 10 30 AEEERN C=C(C)[C@H](CCC(C)=O)/C(C)=C/CO 220709383 571841814 /nfs/dbraw/zinc/84/18/14/571841814.db2.gz GWELFUWHVJRMKF-PMDBQALLSA-N 0 0 196.290 2.487 10 30 AEEERN C=C[C@H](O)C[C@H](O)CCCCCC 34589667 571841870 /nfs/dbraw/zinc/84/18/70/571841870.db2.gz XROGKYRFXZRYJP-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN CC[C@H]1CCC2=C1C(=O)CC2 28173120 571842042 /nfs/dbraw/zinc/84/20/42/571842042.db2.gz QAMBTBNLUIAOBV-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN C=C[C@H]1CCC2=C1C(=O)CC2 28203863 571842074 /nfs/dbraw/zinc/84/20/74/571842074.db2.gz QQYHKNBNNISPLX-ZETCQYMHSA-N 0 0 148.205 2.242 10 30 AEEERN CS[C@@H]1CCC[C@@H]1N(C)[C@@H](C)C#N 687846148 571845298 /nfs/dbraw/zinc/84/52/98/571845298.db2.gz OHKKWYNHMVXTON-LPEHRKFASA-N 0 0 198.335 2.114 10 30 AEEERN C[C@@H](C=O)SC(C)(C)C 38292438 571842120 /nfs/dbraw/zinc/84/21/20/571842120.db2.gz WBBRGNNGJWKGOE-LURJTMIESA-N 0 0 146.255 2.106 10 30 AEEERN CC1=C(Cl)C(=O)CCC1 38292432 571842135 /nfs/dbraw/zinc/84/21/35/571842135.db2.gz SJRRGAVVNBWJIO-UHFFFAOYSA-N 0 0 144.601 2.252 10 30 AEEERN C=C[C@@H](O)C[C@H](O)CCCCCC 34589663 571842149 /nfs/dbraw/zinc/84/21/49/571842149.db2.gz XROGKYRFXZRYJP-GHMZBOCLSA-N 0 0 186.295 2.255 10 30 AEEERN CC(=O)C=C1SCCCS1 38312365 571842169 /nfs/dbraw/zinc/84/21/69/571842169.db2.gz QIUWBMIOOREUBM-UHFFFAOYSA-N 0 0 174.290 2.287 10 30 AEEERN C=C(C)C[C@@H](O)CCc1cccnc1 160838336 571842197 /nfs/dbraw/zinc/84/21/97/571842197.db2.gz XIRIGPWXNHYPJO-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN CCN[C@@]1(C#N)CC[C@H](C)[C@@H](C)C1 220713418 571842200 /nfs/dbraw/zinc/84/22/00/571842200.db2.gz KPVPNUJXRHSFGG-DCAQKATOSA-N 0 0 180.295 2.314 10 30 AEEERN CO/C=C(\C)C(=O)c1ccccc1 38312381 571842208 /nfs/dbraw/zinc/84/22/08/571842208.db2.gz VMYPYPJGDYZGMR-CMDGGOBGSA-N 0 0 176.215 2.420 10 30 AEEERN O=C[C@@]1(Cl)C[C@@H]1c1ccccc1 38301710 571842224 /nfs/dbraw/zinc/84/22/24/571842224.db2.gz KIXCXWZFGKRNPR-ZJUUUORDSA-N 0 0 180.634 2.350 10 30 AEEERN C[C@H](CC=O)c1ccc(C#N)cc1 38312355 571842269 /nfs/dbraw/zinc/84/22/69/571842269.db2.gz LRGOZFPKWIFPMU-SECBINFHSA-N 0 0 173.215 2.251 10 30 AEEERN CC(C)(C)[C@H](O)CC1=CC(=O)CCC1 38293081 571842296 /nfs/dbraw/zinc/84/22/96/571842296.db2.gz QOHDIXNMXLFGIC-LLVKDONJSA-N 0 0 196.290 2.463 10 30 AEEERN C=C(C)[C@H](CC=O)C(C)C 38282021 571842379 /nfs/dbraw/zinc/84/23/79/571842379.db2.gz DHWPSKLWKJHQLU-VIFPVBQESA-N 0 0 140.226 2.424 10 30 AEEERN CCCCCC1=CC(=O)C1 38282009 571842557 /nfs/dbraw/zinc/84/25/57/571842557.db2.gz BUOKGOYEMXDSQA-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN C=C(C)[C@@H](CC=O)C(C)C 38282022 571842601 /nfs/dbraw/zinc/84/26/01/571842601.db2.gz DHWPSKLWKJHQLU-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@H]1C[C@H]1C(=NO)[C@H]1C[C@H]1C 5735861 571842614 /nfs/dbraw/zinc/84/26/14/571842614.db2.gz HZJLWKWNJCDCNN-SOSBWXJGSA-N 0 0 153.225 2.129 10 30 AEEERN O=C1/C=C/CCC(=O)CCCC1 38301563 571842632 /nfs/dbraw/zinc/84/26/32/571842632.db2.gz ZDUIWGYURMFDJL-ORCRQEGFSA-N 0 0 166.220 2.035 10 30 AEEERN CS[C@@H]1CCC[C@@H]1N(C)[C@H](C)C#N 687846147 571845278 /nfs/dbraw/zinc/84/52/78/571845278.db2.gz OHKKWYNHMVXTON-KXUCPTDWSA-N 0 0 198.335 2.114 10 30 AEEERN N#Cc1ccncc1-c1ccc(N)cc1 169166995 571842764 /nfs/dbraw/zinc/84/27/64/571842764.db2.gz WOPDEKFCXYWLTJ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CC[C@H]1CCC[C@@H](C=NN)C1 379309255 571842849 /nfs/dbraw/zinc/84/28/49/571842849.db2.gz YIFDIWITIQKDPO-DTWKUNHWSA-N 0 0 154.257 2.147 10 30 AEEERN CNC(=CC(=O)C(C)(C)C)C(C)C 5632675 571842948 /nfs/dbraw/zinc/84/29/48/571842948.db2.gz VITRBQRTNLKKOQ-CLFYSBASSA-N 0 0 183.295 2.361 10 30 AEEERN CC1=CC(O)=C(C(=O)C(C)(C)C)C1 5633925 571842975 /nfs/dbraw/zinc/84/29/75/571842975.db2.gz HZOFCPUTADMTSL-QMMMGPOBSA-N 0 0 180.247 2.137 10 30 AEEERN C#CCC[C@H](NN)[C@@H]1CC[C@@H](CC)C1 233911762 571843072 /nfs/dbraw/zinc/84/30/72/571843072.db2.gz UXMNJDZAKHYGQF-UTUOFQBUSA-N 0 0 194.322 2.058 10 30 AEEERN CC(C)=C[C@H]1[C@@H](C/C(N)=N/O)C1(C)C 38350702 571843147 /nfs/dbraw/zinc/84/31/47/571843147.db2.gz DAXWENFRURVPHP-DTWKUNHWSA-N 0 0 196.294 2.361 10 30 AEEERN N#Cc1ccc2c[nH]cc2c1 169156294 571843190 /nfs/dbraw/zinc/84/31/90/571843190.db2.gz IUFFZMNBWAISMC-UHFFFAOYSA-N 0 0 142.161 2.040 10 30 AEEERN CCN(C)N=C1CCC[C@H]1C 379309384 571843299 /nfs/dbraw/zinc/84/32/99/571843299.db2.gz YLWIOUHRQALIGD-MRVPVSSYSA-N 0 0 154.257 2.114 10 30 AEEERN CS[C@@H]1CCC[C@H]1N(C)[C@@H](C)C#N 687846146 571843439 /nfs/dbraw/zinc/84/34/39/571843439.db2.gz OHKKWYNHMVXTON-IVZWLZJFSA-N 0 0 198.335 2.114 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](C)CC 143837557 571843444 /nfs/dbraw/zinc/84/34/44/571843444.db2.gz CCKCVMDGHFLVGO-JGVFFNPUSA-N 0 0 156.225 2.150 10 30 AEEERN CC1=CC(=O)c2cccc(C)c2C1=O 38338768 571843477 /nfs/dbraw/zinc/84/34/77/571843477.db2.gz FXHXJNRZDWVCEF-UHFFFAOYSA-N 0 0 186.210 2.320 10 30 AEEERN CS[C@@H]1CCC[C@H]1N(C)[C@H](C)C#N 687846152 571843512 /nfs/dbraw/zinc/84/35/12/571843512.db2.gz OHKKWYNHMVXTON-OPRDCNLKSA-N 0 0 198.335 2.114 10 30 AEEERN NC(/C=C\c1ccccc1Cl)=N/O 201230309 571843762 /nfs/dbraw/zinc/84/37/62/571843762.db2.gz KDCYLZQIJGWSBN-WAYWQWQTSA-N 0 0 196.637 2.100 10 30 AEEERN C[C@@H]1CC(=O)C=CC1(C)C 5735551 571843786 /nfs/dbraw/zinc/84/37/86/571843786.db2.gz SNCRCXQBWGLTDV-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1C(=O)C[C@H]2CCCC[C@@H]12 38350163 571843969 /nfs/dbraw/zinc/84/39/69/571843969.db2.gz VRQSIYCGFULYAF-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN CC[C@@H]1CCC[C@@H](CN=N)C1 379309257 571843999 /nfs/dbraw/zinc/84/39/99/571843999.db2.gz YIFDIWITIQKDPO-RKDXNWHRSA-N 0 0 154.257 2.147 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](C)CC 143837167 571844063 /nfs/dbraw/zinc/84/40/63/571844063.db2.gz CCKCVMDGHFLVGO-YUMQZZPRSA-N 0 0 156.225 2.150 10 30 AEEERN CC[C@@H]1CCC[C@H](C=NN)C1 379309254 571844065 /nfs/dbraw/zinc/84/40/65/571844065.db2.gz YIFDIWITIQKDPO-BDAKNGLRSA-N 0 0 154.257 2.147 10 30 AEEERN CC[C@H]1CCC[C@H](CN=N)C1 379309256 571844099 /nfs/dbraw/zinc/84/40/99/571844099.db2.gz YIFDIWITIQKDPO-IUCAKERBSA-N 0 0 154.257 2.147 10 30 AEEERN C=C(C)[C@@H](O)C#CCCCC 221138527 571844108 /nfs/dbraw/zinc/84/41/08/571844108.db2.gz DMKDKLYEAQOZOI-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN C=C1C(=O)CC[C@@H]1/C=C\C 5665618 571844305 /nfs/dbraw/zinc/84/43/05/571844305.db2.gz XTWUMZCNAZBNAT-VEMNSZJBSA-N 0 0 136.194 2.098 10 30 AEEERN O=CC[C@H]1CCCCn2cccc21 38324990 571844327 /nfs/dbraw/zinc/84/43/27/571844327.db2.gz MJVCHCISLKLLDQ-SNVBAGLBSA-N 0 0 177.247 2.345 10 30 AEEERN O=C1CCCCC=C1Cl 5664897 571844551 /nfs/dbraw/zinc/84/45/51/571844551.db2.gz BZDLXACFBAPLHC-UHFFFAOYSA-N 0 0 144.601 2.252 10 30 AEEERN CC1=C(CCO)C(C)(C)CCC1=O 38338710 571844573 /nfs/dbraw/zinc/84/45/73/571844573.db2.gz MWFUEIYHWVEVKX-UHFFFAOYSA-N 0 0 182.263 2.074 10 30 AEEERN CC(=O)C=C1[C@H]2CCCC[C@@H]12 38362905 571844578 /nfs/dbraw/zinc/84/45/78/571844578.db2.gz OOCFKDNYRUNGGO-DTORHVGOSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H]1C=CC(=O)CC=CC1 38338322 571844606 /nfs/dbraw/zinc/84/46/06/571844606.db2.gz XRAJWCVZDVRANF-INILFZAVSA-N 0 0 136.194 2.098 10 30 AEEERN CN=C(Nc1ccccc1F)SC 28331542 571844614 /nfs/dbraw/zinc/84/46/14/571844614.db2.gz SRUIVWRWBMSFOJ-UHFFFAOYSA-N 0 0 198.266 2.396 10 30 AEEERN CCN(C)N=C1CCC[C@@H]1C 379309385 571844629 /nfs/dbraw/zinc/84/46/29/571844629.db2.gz YLWIOUHRQALIGD-QMMMGPOBSA-N 0 0 154.257 2.114 10 30 AEEERN C=CCC[C@@](C)(CC)CO 143868929 571844908 /nfs/dbraw/zinc/84/49/08/571844908.db2.gz STHCDFLICUYSGN-SECBINFHSA-N 0 0 142.242 2.361 10 30 AEEERN C=C=CC(=O)CCCC 38350038 571844929 /nfs/dbraw/zinc/84/49/29/571844929.db2.gz WNDHORQLQZIBAI-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN COc1cc(C)c2c(c1)C=CC2=O 38338552 571845006 /nfs/dbraw/zinc/84/50/06/571845006.db2.gz OIQXUJVFSNNAGA-UHFFFAOYSA-N 0 0 174.199 2.213 10 30 AEEERN C=C1C(=O)CC[C@H]1/C=C\C 5665616 571845243 /nfs/dbraw/zinc/84/52/43/571845243.db2.gz XTWUMZCNAZBNAT-TUUFMJSCSA-N 0 0 136.194 2.098 10 30 AEEERN CC(C)C1=CC(=O)[C@H](C)[C@H](C#N)C1 38416140 571845573 /nfs/dbraw/zinc/84/55/73/571845573.db2.gz IFKXAARVLHWJDW-SCZZXKLOSA-N 0 0 177.247 2.317 10 30 AEEERN CC1=CC(=O)[C@@]2(CCCCC2=O)C1 38434170 571845641 /nfs/dbraw/zinc/84/56/41/571845641.db2.gz UQJZGWHPZCZWRT-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN C=CCC1=CCCCC1=O 38433669 571845889 /nfs/dbraw/zinc/84/58/89/571845889.db2.gz HXNNMNZRVREEDV-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C=C=CC(=O)C=CC1CCCC1 38415933 571845892 /nfs/dbraw/zinc/84/58/92/571845892.db2.gz NGVBTOLGALAXPR-HJWRWDBZSA-N 0 0 162.232 2.325 10 30 AEEERN N#CCC[C@]12CCC[C@H]1CCC2=O 38523294 571849511 /nfs/dbraw/zinc/84/95/11/571849511.db2.gz RFTQUSWDGHVHGW-GXSJLCMTSA-N 0 0 177.247 2.440 10 30 AEEERN O=C1C=C(Nc2ccccc2)CS1 38416447 571846005 /nfs/dbraw/zinc/84/60/05/571846005.db2.gz WZKDAMKQFREGCL-UHFFFAOYSA-N 0 0 191.255 2.256 10 30 AEEERN CC(C)[C@@H](C)[C@H](C)C=O 5761129 571846045 /nfs/dbraw/zinc/84/60/45/571846045.db2.gz SITBGJYOJQJHHU-HTQZYQBOSA-N 0 0 128.215 2.114 10 30 AEEERN CC1=CC(=O)[C@]2(CCCCC2=O)C1 38434169 571846096 /nfs/dbraw/zinc/84/60/96/571846096.db2.gz UQJZGWHPZCZWRT-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN CC(C)[C@H](C)[C@H](C)C=O 5761360 571846294 /nfs/dbraw/zinc/84/62/94/571846294.db2.gz SITBGJYOJQJHHU-SFYZADRCSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(C)CC[C@@H]([NH2+]C)C(F)F 234459446 571846302 /nfs/dbraw/zinc/84/63/02/571846302.db2.gz BDEPRAFNEGKQMP-SSDOTTSWSA-N 0 0 163.211 2.196 10 30 AEEERN CC1=C(N(C)C)C(=O)CC(C)(C)C1 5766041 571846432 /nfs/dbraw/zinc/84/64/32/571846432.db2.gz WEDSJFGQPPOZNR-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN CC(C)[C@@H](C)[C@@H](C)C=O 5761125 571846436 /nfs/dbraw/zinc/84/64/36/571846436.db2.gz SITBGJYOJQJHHU-JGVFFNPUSA-N 0 0 128.215 2.114 10 30 AEEERN CC(C)[C@H](C)[C@@H](C)C=O 5761356 571846461 /nfs/dbraw/zinc/84/64/61/571846461.db2.gz SITBGJYOJQJHHU-YUMQZZPRSA-N 0 0 128.215 2.114 10 30 AEEERN O=C1CC[C@H]2CCCCC=C12 28554750 571846612 /nfs/dbraw/zinc/84/66/12/571846612.db2.gz URKSMUUKSJRDNB-MRVPVSSYSA-N 0 0 150.221 2.466 10 30 AEEERN C[C@@H]1CCC(=O)[C@H]1CC(C)(C)C=O 38416233 571846792 /nfs/dbraw/zinc/84/67/92/571846792.db2.gz IPCLIZDLVSRSTB-BDAKNGLRSA-N 0 0 182.263 2.217 10 30 AEEERN O=C1C=CCC2=C[C@H]3CC[C@@H]1[C@@H]23 38433874 571846859 /nfs/dbraw/zinc/84/68/59/571846859.db2.gz REKRNUHLBFWJAY-YWVKMMECSA-N 0 0 160.216 2.098 10 30 AEEERN CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C=O 5765369 571846874 /nfs/dbraw/zinc/84/68/74/571846874.db2.gz VMKZLKWCFOWLCT-DJLDLDEBSA-N 0 0 152.237 2.258 10 30 AEEERN O=C1CC[C@H]2C=CC=CC=C12 28587766 571846900 /nfs/dbraw/zinc/84/69/00/571846900.db2.gz LJABZZVLVOQVRC-MRVPVSSYSA-N 0 0 146.189 2.018 10 30 AEEERN CCCN=Nc1ccccc1 5761957 571846944 /nfs/dbraw/zinc/84/69/44/571846944.db2.gz DRURZGNJHCCKHQ-CSKARUKUSA-N 0 0 148.209 2.494 10 30 AEEERN CCC(C)N=NC(C)(C)C 5761792 571846957 /nfs/dbraw/zinc/84/69/57/571846957.db2.gz BGYROZINELAMHD-VQHVLOKHSA-N 0 0 142.246 2.160 10 30 AEEERN CN(C)CC(=O)C1=CCCCCC1 234228649 571847180 /nfs/dbraw/zinc/84/71/80/571847180.db2.gz BAWNDQRRUXFWCZ-UHFFFAOYSA-N 0 0 181.279 2.008 10 30 AEEERN CN(C)CC(=O)C1=CCCCCCC1 234228687 571847284 /nfs/dbraw/zinc/84/72/84/571847284.db2.gz ZPNKWFYPORXTKO-UHFFFAOYSA-N 0 0 195.306 2.398 10 30 AEEERN O=C[C@]1(c2ccccc2)CC1(F)F 38416225 571847323 /nfs/dbraw/zinc/84/73/23/571847323.db2.gz NENDSZPVJQQEMN-VIFPVBQESA-N 0 0 182.169 2.162 10 30 AEEERN O=C[C@@]1(c2ccccc2)CC1(F)F 38416224 571847383 /nfs/dbraw/zinc/84/73/83/571847383.db2.gz NENDSZPVJQQEMN-SECBINFHSA-N 0 0 182.169 2.162 10 30 AEEERN O=CCC(Cl)(Cl)C(F)(F)F 38416538 571847507 /nfs/dbraw/zinc/84/75/07/571847507.db2.gz FMCXFUVJJVOBLO-UHFFFAOYSA-N 0 0 194.967 2.312 10 30 AEEERN C#CC[C@H](CCC)C(C)=O 220742821 571847847 /nfs/dbraw/zinc/84/78/47/571847847.db2.gz UJIXZFCVOXYHHL-SECBINFHSA-N 0 0 138.210 2.015 10 30 AEEERN O=C1CCC2=CCC=CC=C12 28589197 571847985 /nfs/dbraw/zinc/84/79/85/571847985.db2.gz JOGPNOOGALGEIY-UHFFFAOYSA-N 0 0 146.189 2.162 10 30 AEEERN C/C=C(/C=N/CCCC)OC 5792154 571848046 /nfs/dbraw/zinc/84/80/46/571848046.db2.gz RYHPZWITLOLUPO-APQBBXBWSA-N 0 0 155.241 2.408 10 30 AEEERN N#C[C@H](C=O)Cc1ccccc1Cl 38434804 571848153 /nfs/dbraw/zinc/84/81/53/571848153.db2.gz OMNHWZOVTSOJEV-MRVPVSSYSA-N 0 0 193.633 2.221 10 30 AEEERN CC1(C)CC[C@H](CCC#N)C1=O 38522873 571848204 /nfs/dbraw/zinc/84/82/04/571848204.db2.gz DBIFDIDXQLYOSD-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN CCC(C)(CC)C(=O)CC#N 5818963 571848374 /nfs/dbraw/zinc/84/83/74/571848374.db2.gz GYQJBKNRGDNJOA-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN C[C@H]1CC(=O)C=CC1(C)C 5751829 571848639 /nfs/dbraw/zinc/84/86/39/571848639.db2.gz SNCRCXQBWGLTDV-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN O=C1CC[C@@H]2CCCCC=C12 28554749 571848727 /nfs/dbraw/zinc/84/87/27/571848727.db2.gz URKSMUUKSJRDNB-QMMMGPOBSA-N 0 0 150.221 2.466 10 30 AEEERN C=CC[C@H](O)C1=CC(Cl)SC1 725570624 571848835 /nfs/dbraw/zinc/84/88/35/571848835.db2.gz FXGIOKVDBQIFIZ-ZETCQYMHSA-N 0 0 189.687 2.325 10 30 AEEERN C=C[C@H](C)SC[C@H](C)C(=O)OC 78829586 571848939 /nfs/dbraw/zinc/84/89/39/571848939.db2.gz WWPLCMWDWJYSHT-YUMQZZPRSA-N 0 0 188.292 2.103 10 30 AEEERN CC1(C)CC[C@@H](CCC#N)C1=O 38522874 571849351 /nfs/dbraw/zinc/84/93/51/571849351.db2.gz DBIFDIDXQLYOSD-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN CCCC1=CCCC1=O 5819831 571849375 /nfs/dbraw/zinc/84/93/75/571849375.db2.gz OCFRCAFXNXHIIX-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN CC1=CC(=O)C[C@@H](c2cccs2)N1 38482234 571849395 /nfs/dbraw/zinc/84/93/95/571849395.db2.gz BLSDNHUQRZNXGQ-VIFPVBQESA-N 0 0 193.271 2.255 10 30 AEEERN N#C[C@@H](C=O)Cc1ccccc1Cl 38434805 571849456 /nfs/dbraw/zinc/84/94/56/571849456.db2.gz OMNHWZOVTSOJEV-QMMMGPOBSA-N 0 0 193.633 2.221 10 30 AEEERN C=C[C@H](C)SC[C@@H](C)C(=O)OC 78829595 571849735 /nfs/dbraw/zinc/84/97/35/571849735.db2.gz WWPLCMWDWJYSHT-SFYZADRCSA-N 0 0 188.292 2.103 10 30 AEEERN C=CCCC(=O)[C@@H]1CCOC[C@H]1C 301040344 571849778 /nfs/dbraw/zinc/84/97/78/571849778.db2.gz VYZTYEMMVJCWSP-NXEZZACHSA-N 0 0 182.263 2.194 10 30 AEEERN O=C1CC[C@@H]2C=CC=CC=C12 28587765 571849852 /nfs/dbraw/zinc/84/98/52/571849852.db2.gz LJABZZVLVOQVRC-QMMMGPOBSA-N 0 0 146.189 2.018 10 30 AEEERN CC(C)(C=O)SCC1CC1 38522780 571849937 /nfs/dbraw/zinc/84/99/37/571849937.db2.gz AXEGUSXFJUEPEI-UHFFFAOYSA-N 0 0 158.266 2.107 10 30 AEEERN C=C[C@@H](C)S[C@H](C)CC(=O)OC 78818872 571850034 /nfs/dbraw/zinc/85/00/34/571850034.db2.gz RIRJQNWYKOFFHY-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN C=C[C@@H](C)S[C@@H](C)CC(=O)OC 78818863 571850156 /nfs/dbraw/zinc/85/01/56/571850156.db2.gz RIRJQNWYKOFFHY-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN C=CC(=O)c1cc(C)n(CC)c1C 234232097 571850166 /nfs/dbraw/zinc/85/01/66/571850166.db2.gz OYTKPRXIPXMNQW-UHFFFAOYSA-N 0 0 177.247 2.494 10 30 AEEERN C=C[C@@H](C)SC[C@@H](C)C(=O)OC 78829604 571850170 /nfs/dbraw/zinc/85/01/70/571850170.db2.gz WWPLCMWDWJYSHT-HTQZYQBOSA-N 0 0 188.292 2.103 10 30 AEEERN C=C[C@@H]1CCC[C@H]1/C=C\CO 144131237 571850192 /nfs/dbraw/zinc/85/01/92/571850192.db2.gz VDAXOHXQXUUPII-UPINEFLWSA-N 0 0 152.237 2.137 10 30 AEEERN CCCN(CC#N)CC#CC(C)(C)C 300718773 571850204 /nfs/dbraw/zinc/85/02/04/571850204.db2.gz AMQDYDWKIIJFMR-UHFFFAOYSA-N 0 0 192.306 2.271 10 30 AEEERN C=C[C@@H](C)SC[C@H](C)C(=O)OC 78829598 571850257 /nfs/dbraw/zinc/85/02/57/571850257.db2.gz WWPLCMWDWJYSHT-JGVFFNPUSA-N 0 0 188.292 2.103 10 30 AEEERN C=C[C@H](C)S[C@H](C)CC(=O)OC 78818856 571850295 /nfs/dbraw/zinc/85/02/95/571850295.db2.gz RIRJQNWYKOFFHY-JGVFFNPUSA-N 0 0 188.292 2.246 10 30 AEEERN CC1=CC(=O)C[C@H](c2cccs2)N1 38482233 571850382 /nfs/dbraw/zinc/85/03/82/571850382.db2.gz BLSDNHUQRZNXGQ-SECBINFHSA-N 0 0 193.271 2.255 10 30 AEEERN CC1(C)CC(=O)C=C(CCC=O)C1 38523352 571850475 /nfs/dbraw/zinc/85/04/75/571850475.db2.gz ZVNPOYFYDSDGRR-UHFFFAOYSA-N 0 0 180.247 2.281 10 30 AEEERN C=C[C@H](C)S[C@@H](C)CC(=O)OC 78818850 571850527 /nfs/dbraw/zinc/85/05/27/571850527.db2.gz RIRJQNWYKOFFHY-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN SC/C=C\COC1CCCC1 211614375 571850758 /nfs/dbraw/zinc/85/07/58/571850758.db2.gz VQUMMJWLBVLFRV-ARJAWSKDSA-N 0 0 172.293 2.432 10 30 AEEERN C=CNC(=O)ON=C1CCCCC1 38635856 571852202 /nfs/dbraw/zinc/85/22/02/571852202.db2.gz JMUBBNIWBAJXBJ-UHFFFAOYSA-N 0 0 182.223 2.176 10 30 AEEERN CC(=O)C1=C2CCC(=O)[C@@]2(C)CC1 38583418 571850876 /nfs/dbraw/zinc/85/08/76/571850876.db2.gz LDVJTCSIUIKXCZ-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN CC(=O)C1=C2CCC(=O)[C@]2(C)CC1 38583417 571851171 /nfs/dbraw/zinc/85/11/71/571851171.db2.gz LDVJTCSIUIKXCZ-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN C=C(CO)C/C=C/[Si](C)(C)C 221144602 571851213 /nfs/dbraw/zinc/85/12/13/571851213.db2.gz SYKXWSZLJIDNKN-FNORWQNLSA-N 0 0 170.328 2.359 10 30 AEEERN CC#Cc1cc(Cl)cc(F)c1N 117016194 571851216 /nfs/dbraw/zinc/85/12/16/571851216.db2.gz QKUIWQABOYXEGX-UHFFFAOYSA-N 0 0 183.613 2.433 10 30 AEEERN C/C=C/C=C/CC#N 38582174 571851368 /nfs/dbraw/zinc/85/13/68/571851368.db2.gz KCTNDIPTIYYUSV-MQQKCMAXSA-N 0 0 107.156 2.032 10 30 AEEERN C=CCCC[C@H](O)c1cncn1CC 404336067 571851376 /nfs/dbraw/zinc/85/13/76/571851376.db2.gz PYGNIAPFNXKNPT-NSHDSACASA-N 0 0 194.278 2.293 10 30 AEEERN C=CCCC(=O)[C@H]1CCOC[C@H]1C 301040347 571851486 /nfs/dbraw/zinc/85/14/86/571851486.db2.gz VYZTYEMMVJCWSP-ZJUUUORDSA-N 0 0 182.263 2.194 10 30 AEEERN C#C[C@@H](C)Oc1c(C)cccc1C#N 221157578 571851569 /nfs/dbraw/zinc/85/15/69/571851569.db2.gz VNRLTKCFPXVYLA-SNVBAGLBSA-N 0 0 185.226 2.267 10 30 AEEERN C=CC[C@@H]1CCC[C@H]1C=O 38665158 571851675 /nfs/dbraw/zinc/85/16/75/571851675.db2.gz VAEVLFARADVKQP-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN CCC[C@H](O)C(=O)CC#CC(C)(C)C 300719427 571851684 /nfs/dbraw/zinc/85/16/84/571851684.db2.gz AXOYFUJLPSKUOF-JTQLQIEISA-N 0 0 196.290 2.156 10 30 AEEERN CCC[C@@H](O)C(=O)CC#CC(C)(C)C 300719429 571851808 /nfs/dbraw/zinc/85/18/08/571851808.db2.gz AXOYFUJLPSKUOF-SNVBAGLBSA-N 0 0 196.290 2.156 10 30 AEEERN C=CCCC(=O)[C@@H]1CCOC[C@@H]1C 301040346 571851858 /nfs/dbraw/zinc/85/18/58/571851858.db2.gz VYZTYEMMVJCWSP-VHSXEESVSA-N 0 0 182.263 2.194 10 30 AEEERN CC1(C)[C@H]2CC[C@H](C2)[C@H]1C=O 38605283 571852158 /nfs/dbraw/zinc/85/21/58/571852158.db2.gz VMKZLKWCFOWLCT-HRDYMLBCSA-N 0 0 152.237 2.258 10 30 AEEERN CCC/C=N/NCCCC 5821237 571852175 /nfs/dbraw/zinc/85/21/75/571852175.db2.gz ZLYLHUZXJBEGBY-VQHVLOKHSA-N 0 0 142.246 2.162 10 30 AEEERN CC1(C)C=CC=C1CCC=O 38582408 571852422 /nfs/dbraw/zinc/85/24/22/571852422.db2.gz OJLMHJGURUZLNG-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN O=C[C@]12CCC[C@H]1[C@H]1C=C[C@@H]2C1 196107302 571855020 /nfs/dbraw/zinc/85/50/20/571855020.db2.gz QLFBZOCAOIRQEZ-VLEAKVRGSA-N 0 0 162.232 2.178 10 30 AEEERN C[C@@]12C=CCC1=CC(=O)CC2 38759557 571855027 /nfs/dbraw/zinc/85/50/27/571855027.db2.gz OJKQJTOWLYVNQZ-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN N#CC/C=C\c1cccc(O)c1 260549652 571852656 /nfs/dbraw/zinc/85/26/56/571852656.db2.gz VPWCXCYUMGLDTO-RJRFIUFISA-N 0 0 159.188 2.319 10 30 AEEERN C[C@H]1C[C@@H](OCC=O)CC(C)(C)C1 38636944 571852846 /nfs/dbraw/zinc/85/28/46/571852846.db2.gz ZLVIQMAJLGHJFG-VHSXEESVSA-N 0 0 184.279 2.417 10 30 AEEERN CC(=O)c1[nH]c2ccccc2c1C#N 38583643 571852877 /nfs/dbraw/zinc/85/28/77/571852877.db2.gz PPJJZNOXQCUOTG-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN O=C1CCCC#CCCCC1 38582417 571853005 /nfs/dbraw/zinc/85/30/05/571853005.db2.gz UXJBMXUARWYMJT-UHFFFAOYSA-N 0 0 150.221 2.303 10 30 AEEERN CC[C@@H]1OCC[C@@H]1C(=O)C1=CCCC1 233925487 571853288 /nfs/dbraw/zinc/85/32/88/571853288.db2.gz NARQMCJNBCZWMF-QWRGUYRKSA-N 0 0 194.274 2.481 10 30 AEEERN C#C[C@H](C)Oc1c(C)cccc1C#N 221157642 571853290 /nfs/dbraw/zinc/85/32/90/571853290.db2.gz VNRLTKCFPXVYLA-JTQLQIEISA-N 0 0 185.226 2.267 10 30 AEEERN C[C@@H]1C[C@@H](OCC=O)CC(C)(C)C1 38636940 571853399 /nfs/dbraw/zinc/85/33/99/571853399.db2.gz ZLVIQMAJLGHJFG-NXEZZACHSA-N 0 0 184.279 2.417 10 30 AEEERN C[C@H]1C[C@H](OCC=O)CC(C)(C)C1 38636936 571853440 /nfs/dbraw/zinc/85/34/40/571853440.db2.gz ZLVIQMAJLGHJFG-UWVGGRQHSA-N 0 0 184.279 2.417 10 30 AEEERN C/C=C/CSC(C)(C)C=O 38582660 571853462 /nfs/dbraw/zinc/85/34/62/571853462.db2.gz LFXWGRUWBOTNEZ-SNAWJCMRSA-N 0 0 158.266 2.273 10 30 AEEERN C[C@H]1CC(=NO)c2ccccc21 379313386 571853574 /nfs/dbraw/zinc/85/35/74/571853574.db2.gz HEUZVEDRCJOTDS-ZETCQYMHSA-N 0 0 161.204 2.372 10 30 AEEERN Cc1cc(C)n(CC(C)(C)C#N)n1 260161833 571853918 /nfs/dbraw/zinc/85/39/18/571853918.db2.gz SEOYCEJBHAOCQC-UHFFFAOYSA-N 0 0 177.251 2.050 10 30 AEEERN CS[C@H]1CCC[C@H](C#N)C1 38759832 571853964 /nfs/dbraw/zinc/85/39/64/571853964.db2.gz RWSBDMUHKXTFKI-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN C=C[C@H]([NH2+][C@H](C)C[C@@H](C)CC)C(=O)[O-] 301043546 571853999 /nfs/dbraw/zinc/85/39/99/571853999.db2.gz LNKWWXXGFYWMFQ-AEJSXWLSSA-N 0 0 199.294 2.040 10 30 AEEERN N#CCC[C@@H]1C[C@@H]2CCC[C@@H]2C1=O 38671776 571854030 /nfs/dbraw/zinc/85/40/30/571854030.db2.gz UYUPPZITDPBDFH-AEJSXWLSSA-N 0 0 177.247 2.295 10 30 AEEERN CC(N)=C(C)C(=O)c1ccccc1 38671658 571854056 /nfs/dbraw/zinc/85/40/56/571854056.db2.gz RHOQUPYCAQAHOP-HJWRWDBZSA-N 0 0 175.231 2.122 10 30 AEEERN CS[C@@H]1CCC[C@H](C#N)C1 38759829 571854129 /nfs/dbraw/zinc/85/41/29/571854129.db2.gz RWSBDMUHKXTFKI-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN CS[C@@H]1CCC[C@@H](C#N)C1 38759834 571854232 /nfs/dbraw/zinc/85/42/32/571854232.db2.gz RWSBDMUHKXTFKI-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN CC[C@H](C=O)OCc1ccccc1 5925536 571854301 /nfs/dbraw/zinc/85/43/01/571854301.db2.gz YTXIEUATJGWTOC-LLVKDONJSA-N 0 0 178.231 2.181 10 30 AEEERN C=C[C@H]([NH2+][C@@H](C)C[C@@H](C)CC)C(=O)[O-] 301043554 571854322 /nfs/dbraw/zinc/85/43/22/571854322.db2.gz LNKWWXXGFYWMFQ-GUBZILKMSA-N 0 0 199.294 2.040 10 30 AEEERN O=C1CCC2=C1[C@H]1CCC[C@H]1C2 38665487 571854403 /nfs/dbraw/zinc/85/44/03/571854403.db2.gz DVUBXRFCILBWAF-CBAPKCEASA-N 0 0 162.232 2.466 10 30 AEEERN Cc1cc2cc(C#CCO)ccc2o1 116990222 571854447 /nfs/dbraw/zinc/85/44/47/571854447.db2.gz RROLWHSNQRQINH-UHFFFAOYSA-N 0 0 186.210 2.085 10 30 AEEERN CC(=N[C@@H](C)c1ccsc1)NC#N 196100520 571854452 /nfs/dbraw/zinc/85/44/52/571854452.db2.gz NIFIYIYGCBYMHA-ZETCQYMHSA-N 0 0 193.275 2.298 10 30 AEEERN CC[C@@H]1OCC[C@@H]1C(=O)C=C(C)C 233925683 571854623 /nfs/dbraw/zinc/85/46/23/571854623.db2.gz UIHVYRPKQILBPD-KOLCDFICSA-N 0 0 182.263 2.337 10 30 AEEERN C=C(Br)[C@H](O)CCCC 196120255 571854792 /nfs/dbraw/zinc/85/47/92/571854792.db2.gz YWRARAPGGZSBPA-SSDOTTSWSA-N 0 0 193.084 2.446 10 30 AEEERN SC/C=C\COCc1ccco1 211615293 571854937 /nfs/dbraw/zinc/85/49/37/571854937.db2.gz RLXMOXFNMUZMSG-UPHRSURJSA-N 0 0 184.260 2.282 10 30 AEEERN C[C@H]1CCC[C@H](COCCC=O)C1 300724167 571854995 /nfs/dbraw/zinc/85/49/95/571854995.db2.gz BDKWSSZMGHKLTG-QWRGUYRKSA-N 0 0 184.279 2.418 10 30 AEEERN C=C[C@H]([NH2+][C@H](C)C[C@H](C)CC)C(=O)[O-] 301043550 571855052 /nfs/dbraw/zinc/85/50/52/571855052.db2.gz LNKWWXXGFYWMFQ-BBBLOLIVSA-N 0 0 199.294 2.040 10 30 AEEERN C[C@@H]1CC(=NO)c2ccccc21 379313385 571855301 /nfs/dbraw/zinc/85/53/01/571855301.db2.gz HEUZVEDRCJOTDS-SSDOTTSWSA-N 0 0 161.204 2.372 10 30 AEEERN C=CC[C@H](O)CCCCC#N 38759744 571855312 /nfs/dbraw/zinc/85/53/12/571855312.db2.gz MVUODRYCOYAOHR-VIFPVBQESA-N 0 0 153.225 2.007 10 30 AEEERN CC1=C2CCC[C@H](O)[C@@]2(C)CCC1=O 38761646 571855421 /nfs/dbraw/zinc/85/54/21/571855421.db2.gz AWLPPJIJSFSOPR-RYUDHWBXSA-N 0 0 194.274 2.217 10 30 AEEERN C[C@@H]1CCC[C@H](COCCC=O)C1 300724165 571855408 /nfs/dbraw/zinc/85/54/08/571855408.db2.gz BDKWSSZMGHKLTG-MNOVXSKESA-N 0 0 184.279 2.418 10 30 AEEERN CC(=O)[C@H]1CC[C@H]2CCCC[C@@]12C=O 38672454 571855506 /nfs/dbraw/zinc/85/55/06/571855506.db2.gz CZGHDYIAYMKZIK-UTUOFQBUSA-N 0 0 194.274 2.361 10 30 AEEERN CS[C@H]1CCC[C@@H](C#N)C1 38759836 571855514 /nfs/dbraw/zinc/85/55/14/571855514.db2.gz RWSBDMUHKXTFKI-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN C=C(C)[C@@H](CO)c1ccccc1 139034569 571859537 /nfs/dbraw/zinc/85/95/37/571859537.db2.gz YDNITLGPLSXQAS-LLVKDONJSA-N 0 0 162.232 2.339 10 30 AEEERN CC(=O)[C@@H]1CC[C@H]2CCCC[C@]21C=O 38672452 571855862 /nfs/dbraw/zinc/85/58/62/571855862.db2.gz CZGHDYIAYMKZIK-WOPDTQHZSA-N 0 0 194.274 2.361 10 30 AEEERN C[C@H]1CCC[C@@H](COCCC=O)C1 300724169 571856206 /nfs/dbraw/zinc/85/62/06/571856206.db2.gz BDKWSSZMGHKLTG-WDEREUQCSA-N 0 0 184.279 2.418 10 30 AEEERN CC(C)C1=CC(=O)[C@H](C)S1 6037222 571856368 /nfs/dbraw/zinc/85/63/68/571856368.db2.gz STHSYEFNGPMCRF-LURJTMIESA-N 0 0 156.250 2.231 10 30 AEEERN CCCCNC1=C(C)C(=O)CC1 38803899 571857699 /nfs/dbraw/zinc/85/76/99/571857699.db2.gz KVXUQOWNZUGWEC-UHFFFAOYSA-N 0 0 167.252 2.013 10 30 AEEERN CC(=O)C=C(C)Nc1ccccc1N 38811924 571856485 /nfs/dbraw/zinc/85/64/85/571856485.db2.gz IGQJJUIPRFPPPG-FPLPWBNLSA-N 0 0 190.246 2.174 10 30 AEEERN CC(=N[C@H](C)c1ccsc1)NC#N 196100527 571856695 /nfs/dbraw/zinc/85/66/95/571856695.db2.gz NIFIYIYGCBYMHA-SSDOTTSWSA-N 0 0 193.275 2.298 10 30 AEEERN CO/N=C/c1ccc(Cl)cc1 38823930 571856606 /nfs/dbraw/zinc/85/66/06/571856606.db2.gz IHNFHDNHGDDOSX-UXBLZVDNSA-N 0 0 169.611 2.320 10 30 AEEERN CC/C(C)=N/N[C@H](C)CC 38821171 571856824 /nfs/dbraw/zinc/85/68/24/571856824.db2.gz PSEJHDMQAHLTJM-PLVWVKTPSA-N 0 0 142.246 2.160 10 30 AEEERN C[C@@H]1CCC[C@@H](COCCC=O)C1 300724164 571856911 /nfs/dbraw/zinc/85/69/11/571856911.db2.gz BDKWSSZMGHKLTG-GHMZBOCLSA-N 0 0 184.279 2.418 10 30 AEEERN C=C[C@@H]([NH2+][C@H](C)C(CC)CC)C(=O)[O-] 301043861 571857153 /nfs/dbraw/zinc/85/71/53/571857153.db2.gz LWKZWUAKQSDQBT-PSASIEDQSA-N 0 0 199.294 2.040 10 30 AEEERN N#CCCc1ccsc1 38809892 571857175 /nfs/dbraw/zinc/85/71/75/571857175.db2.gz WQXDXJIWDZQYSG-UHFFFAOYSA-N 0 0 137.207 2.204 10 30 AEEERN C/C=C1/CC(C)=C(OCC)C1=O 38810170 571857253 /nfs/dbraw/zinc/85/72/53/571857253.db2.gz KKJILFAFAWKESU-YWEYNIOJSA-N 0 0 166.220 2.216 10 30 AEEERN C=C[C@@H]([NH2+][C@@H](C)C(CC)CC)C(=O)[O-] 301043863 571857345 /nfs/dbraw/zinc/85/73/45/571857345.db2.gz LWKZWUAKQSDQBT-WCBMZHEXSA-N 0 0 199.294 2.040 10 30 AEEERN Cc1ccnc(N=[N+]=[N-])c1 38809877 571857350 /nfs/dbraw/zinc/85/73/50/571857350.db2.gz QKDBJKVZCHBECZ-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN CC(C)C(=O)C=C(O)C(C)C 111339792 571857394 /nfs/dbraw/zinc/85/73/94/571857394.db2.gz JIYKPNNTWHWONK-YVMONPNESA-N 0 0 156.225 2.309 10 30 AEEERN C[C@@H]1CC(C)(C)C=CC1=O 6030681 571857549 /nfs/dbraw/zinc/85/75/49/571857549.db2.gz PLXVUZMJQPEWPH-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C#Cc1cc(C#N)ccc1Cl 117133546 571857585 /nfs/dbraw/zinc/85/75/85/571857585.db2.gz VDRDKNSMIZIIQP-UHFFFAOYSA-N 0 0 161.591 2.193 10 30 AEEERN C[C@H]1CC(C)(C)C=CC1=O 6037376 571857664 /nfs/dbraw/zinc/85/76/64/571857664.db2.gz PLXVUZMJQPEWPH-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN CO[C@@H](C)C[C@H](O)CC#CC(C)(C)C 300723761 571857759 /nfs/dbraw/zinc/85/77/59/571857759.db2.gz CNRALOXNTMUBKU-WDEREUQCSA-N 0 0 198.306 2.212 10 30 AEEERN C=C(/C=C/C=C(C)C)[C@@H](C)O 6032432 571857843 /nfs/dbraw/zinc/85/78/43/571857843.db2.gz SHWZGIXBGZQLQQ-BREXMAIKSA-N 0 0 152.237 2.446 10 30 AEEERN C/C(=N\O)[C@H]1Cc2ccccc21 111332898 571857889 /nfs/dbraw/zinc/85/78/89/571857889.db2.gz OEECJXXNEJIBMM-UEUZTHOGSA-N 0 0 161.204 2.176 10 30 AEEERN CC(C)C(=O)C=C(O)C(C)C 111339789 571857965 /nfs/dbraw/zinc/85/79/65/571857965.db2.gz JIYKPNNTWHWONK-VMPITWQZSA-N 0 0 156.225 2.309 10 30 AEEERN CCO/N=C/c1ccccc1 38823676 571858002 /nfs/dbraw/zinc/85/80/02/571858002.db2.gz YDDVBEKWFTVFQP-CSKARUKUSA-N 0 0 149.193 2.057 10 30 AEEERN C=C[C@H]([NH2+][C@@H](C)C[C@H](C)CC)C(=O)[O-] 301043559 571858039 /nfs/dbraw/zinc/85/80/39/571858039.db2.gz LNKWWXXGFYWMFQ-UTLUCORTSA-N 0 0 199.294 2.040 10 30 AEEERN CCC(CC)COCCC=O 300723962 571858168 /nfs/dbraw/zinc/85/81/68/571858168.db2.gz DZEIHDDZYSSRKE-UHFFFAOYSA-N 0 0 158.241 2.028 10 30 AEEERN C=C(Cl)[C@H](O)CCCC 196120271 571858170 /nfs/dbraw/zinc/85/81/70/571858170.db2.gz AQCVDVLDHYFCAW-SSDOTTSWSA-N 0 0 148.633 2.290 10 30 AEEERN C=CC1=CC(=O)CC[C@@H]1C 196109275 571858235 /nfs/dbraw/zinc/85/82/35/571858235.db2.gz JRVUUCDHLCLUMJ-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN C=C[C@H]([NH2+][C@@H](C)C(CC)CC)C(=O)[O-] 301043864 571858241 /nfs/dbraw/zinc/85/82/41/571858241.db2.gz LWKZWUAKQSDQBT-WPRPVWTQSA-N 0 0 199.294 2.040 10 30 AEEERN C=C(Br)[C@@H](O)CCCC 196120249 571858245 /nfs/dbraw/zinc/85/82/45/571858245.db2.gz YWRARAPGGZSBPA-ZETCQYMHSA-N 0 0 193.084 2.446 10 30 AEEERN C=C[C@H]([NH2+][C@H](C)C(CC)CC)C(=O)[O-] 301043862 571858276 /nfs/dbraw/zinc/85/82/76/571858276.db2.gz LWKZWUAKQSDQBT-SCZZXKLOSA-N 0 0 199.294 2.040 10 30 AEEERN C=C[C@]1(O)C=C[C@@H](CCCC)[C@@H](O)C1 196118066 571858340 /nfs/dbraw/zinc/85/83/40/571858340.db2.gz KUNAPKVXANHMKB-WOPDTQHZSA-N 0 0 196.290 2.031 10 30 AEEERN CCCC/C(C)=N/OC 38821147 571858479 /nfs/dbraw/zinc/85/84/79/571858479.db2.gz RTAUSARJKDFNRW-BQYQJAHWSA-N 0 0 129.203 2.199 10 30 AEEERN C#C[C@@H](C)[C@@H](O)C(=C=C)[Si](C)(C)C 196109121 571858601 /nfs/dbraw/zinc/85/86/01/571858601.db2.gz VOAOIBWIZKLCGO-MWLCHTKSSA-N 0 0 194.350 2.205 10 30 AEEERN C=C(Cl)[C@@H](O)CCCC 196120264 571858623 /nfs/dbraw/zinc/85/86/23/571858623.db2.gz AQCVDVLDHYFCAW-ZETCQYMHSA-N 0 0 148.633 2.290 10 30 AEEERN C/N=C\c1cc(Cl)ccc1O 111362977 571858928 /nfs/dbraw/zinc/85/89/28/571858928.db2.gz SJMVDYATGBLKAT-YHYXMXQVSA-N 0 0 169.611 2.094 10 30 AEEERN CC#Cc1ccccc1CC(C)=O 196119123 571858982 /nfs/dbraw/zinc/85/89/82/571858982.db2.gz HYEJQCHIDZKSJW-UHFFFAOYSA-N 0 0 172.227 2.190 10 30 AEEERN CCn1cc(C(=O)C2=CCCC2)cn1 234244282 571859583 /nfs/dbraw/zinc/85/95/83/571859583.db2.gz NQXDQPGQTOIYGQ-UHFFFAOYSA-N 0 0 190.246 2.196 10 30 AEEERN CO[C@@H](C)C[C@@H](O)CC#CC(C)(C)C 300723759 571859026 /nfs/dbraw/zinc/85/90/26/571859026.db2.gz CNRALOXNTMUBKU-QWRGUYRKSA-N 0 0 198.306 2.212 10 30 AEEERN C#C[C@H](C)[C@@H](O)C(=C=C)[Si](C)(C)C 196109116 571859046 /nfs/dbraw/zinc/85/90/46/571859046.db2.gz VOAOIBWIZKLCGO-GXSJLCMTSA-N 0 0 194.350 2.205 10 30 AEEERN O=C1CCCC([O-])=C1c1ccco1 38865477 571859065 /nfs/dbraw/zinc/85/90/65/571859065.db2.gz PWLMPRSUQKGENF-UHFFFAOYSA-N 0 0 178.187 2.302 10 30 AEEERN CO[C@H](C)C[C@@H](O)CC#CC(C)(C)C 300723757 571859157 /nfs/dbraw/zinc/85/91/57/571859157.db2.gz CNRALOXNTMUBKU-MNOVXSKESA-N 0 0 198.306 2.212 10 30 AEEERN C=CCCC[C@@H](NC)C(F)F 234442039 571859202 /nfs/dbraw/zinc/85/92/02/571859202.db2.gz GZKLEPFVEXBMMM-SSDOTTSWSA-N 0 0 163.211 2.196 10 30 AEEERN C=CC1=CC(=O)CC[C@H]1C 196109270 571859235 /nfs/dbraw/zinc/85/92/35/571859235.db2.gz JRVUUCDHLCLUMJ-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN C[C@H](c1ccccc1)[C@H](O)CC#N 38880952 571859244 /nfs/dbraw/zinc/85/92/44/571859244.db2.gz KCNROOMSGXVFQX-MWLCHTKSSA-N 0 0 175.231 2.065 10 30 AEEERN C#C[C@@H](C)[C@H](O)C(=C=C)[Si](C)(C)C 196109108 571859329 /nfs/dbraw/zinc/85/93/29/571859329.db2.gz VOAOIBWIZKLCGO-KOLCDFICSA-N 0 0 194.350 2.205 10 30 AEEERN C#C[C@H](C)[C@H](O)C(=C=C)[Si](C)(C)C 196109101 571859387 /nfs/dbraw/zinc/85/93/87/571859387.db2.gz VOAOIBWIZKLCGO-ONGXEEELSA-N 0 0 194.350 2.205 10 30 AEEERN CC(C)=C1C=CC(=O)C=C1 38863667 571859399 /nfs/dbraw/zinc/85/93/99/571859399.db2.gz BKNLSBFFVMMTPF-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN CO[C@H](C)C[C@H](O)CC#CC(C)(C)C 300723755 571859677 /nfs/dbraw/zinc/85/96/77/571859677.db2.gz CNRALOXNTMUBKU-GHMZBOCLSA-N 0 0 198.306 2.212 10 30 AEEERN C[C@@H]1C=CC[C@H](CC=O)C1 38864434 571859684 /nfs/dbraw/zinc/85/96/84/571859684.db2.gz QZXWFPGYWJKGHN-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H]1O[C@]1(C)C(=O)c1ccccc1 38880300 571859722 /nfs/dbraw/zinc/85/97/22/571859722.db2.gz WAKNFSHYJJBBMP-KWQFWETISA-N 0 0 176.215 2.047 10 30 AEEERN O=CCCC1SCCCS1 38234450 571859841 /nfs/dbraw/zinc/85/98/41/571859841.db2.gz HCECEPZPFBHRGB-UHFFFAOYSA-N 0 0 176.306 2.162 10 30 AEEERN CC[C@H](C#N)N1CCC[C@@H]1CSC 400026554 571859985 /nfs/dbraw/zinc/85/99/85/571859985.db2.gz FGZIWONPDQZTTP-NXEZZACHSA-N 0 0 198.335 2.116 10 30 AEEERN C[C@H](c1ccccc1)[C@@H](O)CC#N 38880953 571860000 /nfs/dbraw/zinc/86/00/00/571860000.db2.gz KCNROOMSGXVFQX-KOLCDFICSA-N 0 0 175.231 2.065 10 30 AEEERN C=C1C(=O)CCCC[C@@H]1C 38864431 571860061 /nfs/dbraw/zinc/86/00/61/571860061.db2.gz QGJOMBWGWIESSC-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)[C@H]([NH3+])c1ccoc1CC 234246333 571860077 /nfs/dbraw/zinc/86/00/77/571860077.db2.gz HPGFTBVOQPQYGL-JTQLQIEISA-N 0 0 165.236 2.418 10 30 AEEERN C=C(/C=C\C=C(C)C)[C@@H](C)O 111398879 571860167 /nfs/dbraw/zinc/86/01/67/571860167.db2.gz SHWZGIXBGZQLQQ-ONRRBMGISA-N 0 0 152.237 2.446 10 30 AEEERN CC(=O)CC(=O)Nc1ccccc1 111329647 571860180 /nfs/dbraw/zinc/86/01/80/571860180.db2.gz IGKMBTGLQPCPNS-JXMROGBWSA-N 0 0 177.203 2.087 10 30 AEEERN NN=C[C@H]1CCCc2ccccc21 379376267 571860337 /nfs/dbraw/zinc/86/03/37/571860337.db2.gz SMXWQWUOBMKBLO-SNVBAGLBSA-N 0 0 174.247 2.051 10 30 AEEERN CC(C)=CCC/C(C)=C\[C@H](O)C=O 111330960 571860390 /nfs/dbraw/zinc/86/03/90/571860390.db2.gz DIHFALQHYSMKMB-BRNRAETOSA-N 0 0 182.263 2.239 10 30 AEEERN C[C@H]1CCC[C@H](COCC=O)C1 300726250 571861307 /nfs/dbraw/zinc/86/13/07/571861307.db2.gz BXAGIUUGOLSWBH-UWVGGRQHSA-N 0 0 170.252 2.028 10 30 AEEERN C=CC[C@@]1(C)CCC=CC1=O 196110891 571860534 /nfs/dbraw/zinc/86/05/34/571860534.db2.gz MKQCSWXZTDWVMQ-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](S)C(=O)OCc1ccccc1 38866435 571860623 /nfs/dbraw/zinc/86/06/23/571860623.db2.gz BFPHKVATRPJIGR-QMMMGPOBSA-N 0 0 196.271 2.048 10 30 AEEERN CCCCC(=O)/C=C(\C)OC 111357201 571860633 /nfs/dbraw/zinc/86/06/33/571860633.db2.gz FXMJPAZSMVEADT-BQYQJAHWSA-N 0 0 156.225 2.296 10 30 AEEERN C=CCCC/C=C\C(C)=O 111365013 571860643 /nfs/dbraw/zinc/86/06/43/571860643.db2.gz YKLUYYMKAUDXNV-FPLPWBNLSA-N 0 0 138.210 2.488 10 30 AEEERN Cc1ccc(F)cc1[C@@H](C#N)N(C)C 234249919 571860647 /nfs/dbraw/zinc/86/06/47/571860647.db2.gz VBLSCHODVRZWEZ-LLVKDONJSA-N 0 0 192.237 2.260 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@@H]1CSC 400026560 571860664 /nfs/dbraw/zinc/86/06/64/571860664.db2.gz FGZIWONPDQZTTP-VHSXEESVSA-N 0 0 198.335 2.116 10 30 AEEERN C[C@H]1CCC[C@@H](COCC=O)C1 300726251 571860743 /nfs/dbraw/zinc/86/07/43/571860743.db2.gz BXAGIUUGOLSWBH-VHSXEESVSA-N 0 0 170.252 2.028 10 30 AEEERN CC1=CC2(CCC(=O)CC2)CC1=O 38881663 571860801 /nfs/dbraw/zinc/86/08/01/571860801.db2.gz QFJCFBOZZSHREK-UHFFFAOYSA-N 0 0 178.231 2.035 10 30 AEEERN C[C@@H](S)C(=O)OCc1ccccc1 38866438 571860819 /nfs/dbraw/zinc/86/08/19/571860819.db2.gz BFPHKVATRPJIGR-MRVPVSSYSA-N 0 0 196.271 2.048 10 30 AEEERN N#CCC[C@H]1C[C@@H]2CCC[C@@H]2C1=O 38865464 571860872 /nfs/dbraw/zinc/86/08/72/571860872.db2.gz UYUPPZITDPBDFH-GUBZILKMSA-N 0 0 177.247 2.295 10 30 AEEERN CC1=C[C@H]2CCCC[C@H]2C1=O 38879392 571861259 /nfs/dbraw/zinc/86/12/59/571861259.db2.gz DPMILSDXZZINDD-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(C#N)c1ccc(CCO)cc1 214564991 571861116 /nfs/dbraw/zinc/86/11/16/571861116.db2.gz JUKWVEHFOUBZQF-UHFFFAOYSA-N 0 0 189.258 2.023 10 30 AEEERN CC(C)CCC[C@H](C)OCC=O 113326579 571861152 /nfs/dbraw/zinc/86/11/52/571861152.db2.gz SFSJGHORRUEPGB-JTQLQIEISA-N 0 0 172.268 2.417 10 30 AEEERN Cc1ccc(F)c([C@@H](C#N)N(C)C)c1 234249778 571861275 /nfs/dbraw/zinc/86/12/75/571861275.db2.gz KYEVIQCTWFRGEM-LLVKDONJSA-N 0 0 192.237 2.260 10 30 AEEERN CO/C(=C\c1ccccc1)C(C)=O 38865433 571861227 /nfs/dbraw/zinc/86/12/27/571861227.db2.gz XAOCTJDBUHGTSW-FLIBITNWSA-N 0 0 176.215 2.263 10 30 AEEERN NN=C[C@@H]1CCCc2ccccc21 379376266 571861370 /nfs/dbraw/zinc/86/13/70/571861370.db2.gz SMXWQWUOBMKBLO-JTQLQIEISA-N 0 0 174.247 2.051 10 30 AEEERN CN(C)[C@H](C#N)c1cc(F)cc(F)c1 234249855 571861401 /nfs/dbraw/zinc/86/14/01/571861401.db2.gz PDMSEHHMYOCQCY-SNVBAGLBSA-N 0 0 196.200 2.091 10 30 AEEERN CCC(=O)/C(Cl)=C/Cl 38879694 571861404 /nfs/dbraw/zinc/86/14/04/571861404.db2.gz IHRVZLDXWSXHLM-ARJAWSKDSA-N 0 0 153.008 2.285 10 30 AEEERN c1ccc2c([C@H]3CO3)c[nH]c2c1 6117685 571861415 /nfs/dbraw/zinc/86/14/15/571861415.db2.gz NHIWCWBJAOXUBB-SNVBAGLBSA-N 0 0 159.188 2.239 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@H]1CSC 400026556 571861583 /nfs/dbraw/zinc/86/15/83/571861583.db2.gz FGZIWONPDQZTTP-UWVGGRQHSA-N 0 0 198.335 2.116 10 30 AEEERN C=CCC[C@@H](CO)C(=C)C 196110446 571861659 /nfs/dbraw/zinc/86/16/59/571861659.db2.gz IYNNINJHSBIRJL-VIFPVBQESA-N 0 0 140.226 2.137 10 30 AEEERN CC(C)CCC[C@@H](C)OCC=O 113326578 571861673 /nfs/dbraw/zinc/86/16/73/571861673.db2.gz SFSJGHORRUEPGB-SNVBAGLBSA-N 0 0 172.268 2.417 10 30 AEEERN CC[C@H](CC#N)SCCOC 35321953 571861723 /nfs/dbraw/zinc/86/17/23/571861723.db2.gz OECXTDDWFQBUQI-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN C=C(C)[C@@H]1C=C(C)C(=O)CC1 196110831 571861874 /nfs/dbraw/zinc/86/18/74/571861874.db2.gz OQSXYYCXOWRDDZ-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@H]1C=CC=CC=CC1=O 138950327 571861884 /nfs/dbraw/zinc/86/18/84/571861884.db2.gz AIVOIRZIUDVTKH-JTQLQIEISA-N 0 0 160.216 2.430 10 30 AEEERN C[C@@H]1CCC[C@H](COCC=O)C1 300726252 571861914 /nfs/dbraw/zinc/86/19/14/571861914.db2.gz BXAGIUUGOLSWBH-ZJUUUORDSA-N 0 0 170.252 2.028 10 30 AEEERN CC#Cc1cccs1 139006927 571861949 /nfs/dbraw/zinc/86/19/49/571861949.db2.gz YBOMTHBYVCIWDE-UHFFFAOYSA-N 0 0 122.192 2.120 10 30 AEEERN C=C1C(=O)C=C2CCC[C@@]12C 38915939 571862007 /nfs/dbraw/zinc/86/20/07/571862007.db2.gz BUOWDTQBOPPPGE-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN C=CCS[C@@H]1CCCC[C@H]1O 138989649 571862101 /nfs/dbraw/zinc/86/21/01/571862101.db2.gz BKVDSWSVVOQFQP-RKDXNWHRSA-N 0 0 172.293 2.209 10 30 AEEERN C=C(Br)C[C@H](O)/C=C/C 38916619 571862148 /nfs/dbraw/zinc/86/21/48/571862148.db2.gz GBFMLXSEAVFZIN-KGGZQZJCSA-N 0 0 191.068 2.222 10 30 AEEERN C[C@@H](O)C/N=C/c1ccccc1Cl 38916796 571862160 /nfs/dbraw/zinc/86/21/60/571862160.db2.gz XSRHLRPEZISTRN-LQGZHCLWSA-N 0 0 197.665 2.140 10 30 AEEERN C=C1C(=O)C=C2CCC[C@]12C 38915940 571862194 /nfs/dbraw/zinc/86/21/94/571862194.db2.gz BUOWDTQBOPPPGE-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN C=CCC[C@H](CO)C(=C)C 196110453 571862217 /nfs/dbraw/zinc/86/22/17/571862217.db2.gz IYNNINJHSBIRJL-SECBINFHSA-N 0 0 140.226 2.137 10 30 AEEERN C[C@]12C=CC[C@@]1(C)[C@H](C#N)CC2=O 6251002 571862245 /nfs/dbraw/zinc/86/22/45/571862245.db2.gz XBCUZDYIDFXMMR-INTQDDNPSA-N 0 0 175.231 2.071 10 30 AEEERN C=CCCSC(C)(C)C=O 38916044 571862251 /nfs/dbraw/zinc/86/22/51/571862251.db2.gz ZQVIHWVCYTVEQT-UHFFFAOYSA-N 0 0 158.266 2.273 10 30 AEEERN CC1=C2C(=O)C[C@H](C)[C@H]2CC1 38948854 571862303 /nfs/dbraw/zinc/86/23/03/571862303.db2.gz QQOUPKUCNXOTFI-JGVFFNPUSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1ccc(/C=C/C=N/O)o1 38948858 571862443 /nfs/dbraw/zinc/86/24/43/571862443.db2.gz ZFKMJKQOUFQAOO-SYWUFUJHSA-N 0 0 151.165 2.061 10 30 AEEERN C[C@@H]1CCC[C@@H](COCC=O)C1 300726249 571862449 /nfs/dbraw/zinc/86/24/49/571862449.db2.gz BXAGIUUGOLSWBH-NXEZZACHSA-N 0 0 170.252 2.028 10 30 AEEERN C=C(C)CC[C@H](O)C(=C)C 139013772 571862513 /nfs/dbraw/zinc/86/25/13/571862513.db2.gz MLUJLYYLTGCKQR-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=C[C@H](NN)C(CCC)CCC 158422861 571862558 /nfs/dbraw/zinc/86/25/58/571862558.db2.gz QHFWKPGKZWPXMV-JTQLQIEISA-N 0 0 170.300 2.221 10 30 AEEERN C=C(C)[C@H]1C=C(C)C(=O)CC1 196110820 571862634 /nfs/dbraw/zinc/86/26/34/571862634.db2.gz OQSXYYCXOWRDDZ-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](O)C/N=C/c1ccccc1Cl 38916795 571862665 /nfs/dbraw/zinc/86/26/65/571862665.db2.gz XSRHLRPEZISTRN-OTIXFSKASA-N 0 0 197.665 2.140 10 30 AEEERN CC(=O)[C@@]12CCCC[C@@H]1CC[C@@H]2C=O 38916704 571862678 /nfs/dbraw/zinc/86/26/78/571862678.db2.gz AITRLPKLUZPBMM-UTUOFQBUSA-N 0 0 194.274 2.361 10 30 AEEERN COCCC(=O)CC#CC(C)(C)C 300741404 571873737 /nfs/dbraw/zinc/87/37/37/571873737.db2.gz INDQTEDLAFNKQT-UHFFFAOYSA-N 0 0 182.263 2.032 10 30 AEEERN C[C@H](CC#N)[C@H](O)c1ccccc1 38916260 571862799 /nfs/dbraw/zinc/86/27/99/571862799.db2.gz PCYWGIHZFXKGRN-KOLCDFICSA-N 0 0 175.231 2.270 10 30 AEEERN C=CC(=O)[C@@H]1CC=CCC1 139011638 571862864 /nfs/dbraw/zinc/86/28/64/571862864.db2.gz SHRGXODJTDODIN-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN C=C[C@@H](NN)C(CCC)CCC 158422720 571862983 /nfs/dbraw/zinc/86/29/83/571862983.db2.gz QHFWKPGKZWPXMV-SNVBAGLBSA-N 0 0 170.300 2.221 10 30 AEEERN CCC1=CC[C@@H](CC=O)C1 38915879 571863007 /nfs/dbraw/zinc/86/30/07/571863007.db2.gz XHBQRWJTEKSQHT-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H](CC#N)[C@@H](O)c1ccccc1 38916262 571863011 /nfs/dbraw/zinc/86/30/11/571863011.db2.gz PCYWGIHZFXKGRN-MWLCHTKSSA-N 0 0 175.231 2.270 10 30 AEEERN C=CCc1c(C)c(O)cc(C)c1O 138962361 571863235 /nfs/dbraw/zinc/86/32/35/571863235.db2.gz VZFGZNBZPHTURC-UHFFFAOYSA-N 0 0 178.231 2.443 10 30 AEEERN O=C1C=C(N2CCCCC2)CCC1 38889573 571863325 /nfs/dbraw/zinc/86/33/25/571863325.db2.gz ZRBBCNYLYIKUNK-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN O=C1C=C2CCCC=C2CC1 38891408 571863621 /nfs/dbraw/zinc/86/36/21/571863621.db2.gz AYJNRSYVNUNMOD-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN Cn1cccc1[C@@H]1CCC[C@H]1C=O 138990722 571863813 /nfs/dbraw/zinc/86/38/13/571863813.db2.gz SCEUYGYPSXRQJN-VHSXEESVSA-N 0 0 177.247 2.108 10 30 AEEERN CCC1=CC[C@H](CC=O)C1 38915878 571863868 /nfs/dbraw/zinc/86/38/68/571863868.db2.gz XHBQRWJTEKSQHT-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)[C@@]12CCCC[C@@H]1CC[C@H]2C=O 38916705 571863975 /nfs/dbraw/zinc/86/39/75/571863975.db2.gz AITRLPKLUZPBMM-WOPDTQHZSA-N 0 0 194.274 2.361 10 30 AEEERN CCC[C@]1(C)CCCN[C@@H]1C#N 38995811 571869264 /nfs/dbraw/zinc/86/92/64/571869264.db2.gz QOYHJKSDEXGKOF-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN C=C(Cc1ccccc1)C(C)=O 38949149 571864069 /nfs/dbraw/zinc/86/40/69/571864069.db2.gz WXZUOZKCKRDMCI-UHFFFAOYSA-N 0 0 160.216 2.374 10 30 AEEERN CC1=C[C@@H](C(C)C)CC1=O 38948666 571864125 /nfs/dbraw/zinc/86/41/25/571864125.db2.gz ZWIRBPFFGVRTCF-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN COCC[C@H](C)C(=O)C1=CCCC1 234658901 571864176 /nfs/dbraw/zinc/86/41/76/571864176.db2.gz NIQJIKWKSDBTLY-VIFPVBQESA-N 0 0 182.263 2.338 10 30 AEEERN C=C[C@H](CC=O)C(C)(C)C 139014108 571864191 /nfs/dbraw/zinc/86/41/91/571864191.db2.gz WZEOIEXBCHFHJI-MRVPVSSYSA-N 0 0 140.226 2.424 10 30 AEEERN O=C1C=C(c2cccs2)C1 38915957 571864309 /nfs/dbraw/zinc/86/43/09/571864309.db2.gz NYTMSCHAVGZKGL-UHFFFAOYSA-N 0 0 150.202 2.104 10 30 AEEERN CSC[C@@H](C)[NH2+]CC#CC(C)(C)C 300732596 571864356 /nfs/dbraw/zinc/86/43/56/571864356.db2.gz GDLHIDKFFKHCJN-SNVBAGLBSA-N 0 0 199.363 2.377 10 30 AEEERN CC[C@H](O)CC#Cc1ccc(F)cc1 138996097 571864626 /nfs/dbraw/zinc/86/46/26/571864626.db2.gz PHNHXIBRJQXFOR-LBPRGKRZSA-N 0 0 192.233 2.338 10 30 AEEERN C=CC(=O)[C@H]1CC=CCC1 139011533 571864637 /nfs/dbraw/zinc/86/46/37/571864637.db2.gz SHRGXODJTDODIN-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN N#CC(F)(F)c1ccc([N+](=O)[O-])cc1 38950987 571864905 /nfs/dbraw/zinc/86/49/05/571864905.db2.gz BVMYVSPQJLQAHU-UHFFFAOYSA-N 0 0 198.128 2.210 10 30 AEEERN OC1(C#Cc2cccc(Cl)c2)CC1 144729714 571865007 /nfs/dbraw/zinc/86/50/07/571865007.db2.gz JNFXNRKWLLASNH-UHFFFAOYSA-N 0 0 192.645 2.216 10 30 AEEERN CCN(CC#CC(C)(C)C)CCC#N 300735116 571865064 /nfs/dbraw/zinc/86/50/64/571865064.db2.gz GYLBPHQANDWOOG-UHFFFAOYSA-N 0 0 192.306 2.271 10 30 AEEERN Cc1ccc(C)c2c1CCO[C@H]2C#N 6272440 571865065 /nfs/dbraw/zinc/86/50/65/571865065.db2.gz RMYBCCGBVFDOSZ-NSHDSACASA-N 0 0 187.242 2.441 10 30 AEEERN Cc1c(CO)oc2ccc(C#N)cc12 144645788 571865141 /nfs/dbraw/zinc/86/51/41/571865141.db2.gz JRPBJJOGDOHJDR-UHFFFAOYSA-N 0 0 187.198 2.105 10 30 AEEERN C=C=CC(=O)c1cccs1 38972955 571865145 /nfs/dbraw/zinc/86/51/45/571865145.db2.gz AOZGWXFZKJJKQH-UHFFFAOYSA-N 0 0 150.202 2.272 10 30 AEEERN C=C(C)CC[C@@H](O)C(=C)C 139013885 571865237 /nfs/dbraw/zinc/86/52/37/571865237.db2.gz MLUJLYYLTGCKQR-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN CC[C@@H](O)CC#Cc1ccc(F)cc1 138996223 571865320 /nfs/dbraw/zinc/86/53/20/571865320.db2.gz PHNHXIBRJQXFOR-GFCCVEGCSA-N 0 0 192.233 2.338 10 30 AEEERN CC(C)(C#N)C(=O)c1ccccc1 38949641 571865579 /nfs/dbraw/zinc/86/55/79/571865579.db2.gz ZNSPWDQIVVHYSA-UHFFFAOYSA-N 0 0 173.215 2.419 10 30 AEEERN CCOCC(=O)CC#CC(C)(C)C 300733043 571865603 /nfs/dbraw/zinc/86/56/03/571865603.db2.gz GICOFRIACHSJHQ-UHFFFAOYSA-N 0 0 182.263 2.032 10 30 AEEERN CCO[C@@H]1C=C(C)C[C@H](C)[C@@H]1C=O 206660990 571865626 /nfs/dbraw/zinc/86/56/26/571865626.db2.gz HWDVIEIWVXSMNM-GARJFASQSA-N 0 0 182.263 2.193 10 30 AEEERN N#CC1(c2cc(F)ccc2C=O)CC1 144662335 571865644 /nfs/dbraw/zinc/86/56/44/571865644.db2.gz AQTQVQKQNBBDFZ-UHFFFAOYSA-N 0 0 189.189 2.193 10 30 AEEERN CC1=CC=CC[C@H](C)C1=O 196126863 571870204 /nfs/dbraw/zinc/87/02/04/571870204.db2.gz KXQNEXYOFXADMW-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN CC[C@H](C)C[C@]1(C=O)CCOC1 317295564 571865931 /nfs/dbraw/zinc/86/59/31/571865931.db2.gz SWRMOZADMGRLLB-UWVGGRQHSA-N 0 0 170.252 2.028 10 30 AEEERN C#C[C@H](CCC)[NH2+]CC#CC(C)(C)C 300732086 571866023 /nfs/dbraw/zinc/86/60/23/571866023.db2.gz FYTSDUGBSHCZKZ-GFCCVEGCSA-N 0 0 191.318 2.427 10 30 AEEERN CC[C@H](C)C[C@@]1(C=O)CCOC1 317295565 571866093 /nfs/dbraw/zinc/86/60/93/571866093.db2.gz SWRMOZADMGRLLB-VHSXEESVSA-N 0 0 170.252 2.028 10 30 AEEERN O/N=C1\CC[C@H]2CC=CC[C@H]12 24206125 571866218 /nfs/dbraw/zinc/86/62/18/571866218.db2.gz WXBYOTABPGMMTM-CRZLOUGTSA-N 0 0 151.209 2.193 10 30 AEEERN C#C[C@@H](CCC)[NH2+]CC#CC(C)(C)C 300732089 571866284 /nfs/dbraw/zinc/86/62/84/571866284.db2.gz FYTSDUGBSHCZKZ-LBPRGKRZSA-N 0 0 191.318 2.427 10 30 AEEERN Cc1oc2c(c1C)/C(=N/O)CCC2 139040628 571866344 /nfs/dbraw/zinc/86/63/44/571866344.db2.gz ZRCUHWOYTMKZML-DHZHZOJOSA-N 0 0 179.219 2.411 10 30 AEEERN CC1=CC[C@@H](C(F)(F)F)C1=O 139035877 571866430 /nfs/dbraw/zinc/86/64/30/571866430.db2.gz MBTFPJUQNBCCSS-RXMQYKEDSA-N 0 0 164.126 2.084 10 30 AEEERN CCO[C@@H]1C=C(C)C[C@@H](C)[C@@H]1C=O 206661072 571866475 /nfs/dbraw/zinc/86/64/75/571866475.db2.gz HWDVIEIWVXSMNM-OUAUKWLOSA-N 0 0 182.263 2.193 10 30 AEEERN C=C(C)C(CC=O)C(=C)C 38972882 571866549 /nfs/dbraw/zinc/86/65/49/571866549.db2.gz LRKPADJBMQRULN-UHFFFAOYSA-N 0 0 138.210 2.344 10 30 AEEERN C=C1CC[C@@H](O)[C@@H]1c1ccccc1 139053259 571866623 /nfs/dbraw/zinc/86/66/23/571866623.db2.gz KYSXECYCIGXXRX-NEPJUHHUSA-N 0 0 174.243 2.481 10 30 AEEERN C[C@@H](O)C[C@H](C#N)c1ccccc1 38973391 571866634 /nfs/dbraw/zinc/86/66/34/571866634.db2.gz WMRQDWHQCNGSEX-MWLCHTKSSA-N 0 0 175.231 2.065 10 30 AEEERN C=C=C(C)C(=O)CCCC 196133486 571866718 /nfs/dbraw/zinc/86/67/18/571866718.db2.gz BJEGXJNOABUFSZ-UHFFFAOYSA-N 0 0 138.210 2.477 10 30 AEEERN COCC[C@H](C)C(=O)C=C(C)C 234659341 571866783 /nfs/dbraw/zinc/86/67/83/571866783.db2.gz GHDBXXKVHQWSBX-VIFPVBQESA-N 0 0 170.252 2.194 10 30 AEEERN COc1cc(C)cc2c1C=CC2=O 38973355 571866821 /nfs/dbraw/zinc/86/68/21/571866821.db2.gz GFAFIFPWEHANPM-UHFFFAOYSA-N 0 0 174.199 2.213 10 30 AEEERN COCC[C@@H](C)C(=O)C=C(C)C 234665772 571866842 /nfs/dbraw/zinc/86/68/42/571866842.db2.gz GHDBXXKVHQWSBX-SECBINFHSA-N 0 0 170.252 2.194 10 30 AEEERN Cn1ncc(CC#N)c1C1CCCC1 214572037 571872120 /nfs/dbraw/zinc/87/21/20/571872120.db2.gz BVYJJSKXHAWDQM-UHFFFAOYSA-N 0 0 189.262 2.144 10 30 AEEERN C[C@@H]1OC(Nc2ccccc2)=N[C@@H]1C 38950527 571866873 /nfs/dbraw/zinc/86/68/73/571866873.db2.gz MCPHIEIPFFQURP-BDAKNGLRSA-N 0 0 190.246 2.071 10 30 AEEERN CC(=O)[C@H](CC#CC(C)(C)C)CCO 300741791 571866977 /nfs/dbraw/zinc/86/69/77/571866977.db2.gz IOUNCSDVGSWRSL-LLVKDONJSA-N 0 0 196.290 2.014 10 30 AEEERN COCC[C@@H](C)C(=O)C1=CCCC1 234665471 571867177 /nfs/dbraw/zinc/86/71/77/571867177.db2.gz NIQJIKWKSDBTLY-SECBINFHSA-N 0 0 182.263 2.338 10 30 AEEERN C[C@@H](CS)[C@@]1(CO)C=CC=CC1 38996221 571867191 /nfs/dbraw/zinc/86/71/91/571867191.db2.gz HMWFJOZYDZEQLR-UWVGGRQHSA-N 0 0 184.304 2.047 10 30 AEEERN CCC[C@]1(C)CCCN[C@H]1C#N 38995813 571867208 /nfs/dbraw/zinc/86/72/08/571867208.db2.gz QOYHJKSDEXGKOF-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H]1CCCC[C@H]1CC=O 196133360 571867272 /nfs/dbraw/zinc/86/72/72/571867272.db2.gz ICBHDCFNPPYUAR-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@H]1[C@H](C)C(C)(C)[C@@H]1C=O 38995542 571867280 /nfs/dbraw/zinc/86/72/80/571867280.db2.gz MBNRVIXXZDOPIA-BIIVOSGPSA-N 0 0 140.226 2.114 10 30 AEEERN CCOCC[C@H](O)CC#CC(C)(C)C 300735945 571867281 /nfs/dbraw/zinc/86/72/81/571867281.db2.gz HESVBFKIUNTEBX-LLVKDONJSA-N 0 0 198.306 2.214 10 30 AEEERN CC/C(C)=C(/C)CC=O 39017105 571867282 /nfs/dbraw/zinc/86/72/82/571867282.db2.gz ZZCFPVOXUYXVRO-FPLPWBNLSA-N 0 0 126.199 2.322 10 30 AEEERN CC/C(C)=C1/OC(C)(C)CC1=O 38995858 571867375 /nfs/dbraw/zinc/86/73/75/571867375.db2.gz WFLKGRHBDQFZSH-VQHVLOKHSA-N 0 0 168.236 2.438 10 30 AEEERN C=CC1=C(C=C(C)C)C(=O)[C@H]1OC 38996062 571867383 /nfs/dbraw/zinc/86/73/83/571867383.db2.gz BPNMAHJJZMFHTM-NSHDSACASA-N 0 0 178.231 2.033 10 30 AEEERN CC#CCC[C@@H](CCC(C)(C)C)NN 300734023 571867422 /nfs/dbraw/zinc/86/74/22/571867422.db2.gz KDKBYWISVFOSCV-NSHDSACASA-N 0 0 196.338 2.448 10 30 AEEERN N#C[C@H](C=O)CC1CCCCC1 39038394 571870077 /nfs/dbraw/zinc/87/00/77/571870077.db2.gz IZQJSJYBFVOSDJ-SNVBAGLBSA-N 0 0 165.236 2.295 10 30 AEEERN C=CCC/C(C)=C\CCO 206694837 571867551 /nfs/dbraw/zinc/86/75/51/571867551.db2.gz BKQQBTQBQYPOPU-CLFYSBASSA-N 0 0 140.226 2.281 10 30 AEEERN CCC[C@@]1(C)CCCN[C@H]1C#N 38995814 571867554 /nfs/dbraw/zinc/86/75/54/571867554.db2.gz QOYHJKSDEXGKOF-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)C[C@H](C)C[C@H](C#N)CO 300738525 571867557 /nfs/dbraw/zinc/86/75/57/571867557.db2.gz ANVATKBJPXAJFG-VHSXEESVSA-N 0 0 169.268 2.191 10 30 AEEERN CC[C@H]1CCC(C)(C)[C@@H](C#N)N1 39017464 571867610 /nfs/dbraw/zinc/86/76/10/571867610.db2.gz LPVLXEAPVHMCGO-DTWKUNHWSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](/C=C\C[C@@H](C)CO)CCC=O 687806464 571867691 /nfs/dbraw/zinc/86/76/91/571867691.db2.gz LAXVLSGTNVOCOP-HUPZIKASSA-N 0 0 184.279 2.176 10 30 AEEERN C[C@H]1Cc2ncccc2[C@@H](CC=O)C1 139037918 571867763 /nfs/dbraw/zinc/86/77/63/571867763.db2.gz PWQZOAJGUHSAKR-ZJUUUORDSA-N 0 0 189.258 2.337 10 30 AEEERN CCOCC[C@@H](O)CC#CC(C)(C)C 300735947 571867827 /nfs/dbraw/zinc/86/78/27/571867827.db2.gz HESVBFKIUNTEBX-NSHDSACASA-N 0 0 198.306 2.214 10 30 AEEERN C=C(C)[C@H](CO)c1ccccc1 139034691 571867851 /nfs/dbraw/zinc/86/78/51/571867851.db2.gz YDNITLGPLSXQAS-NSHDSACASA-N 0 0 162.232 2.339 10 30 AEEERN C[C@]1(CC#N)CCCC(=O)C1 38995624 571867865 /nfs/dbraw/zinc/86/78/65/571867865.db2.gz QTCSELVVXGHDKY-SECBINFHSA-N 0 0 151.209 2.049 10 30 AEEERN C[C@H]1[C@@H](C)C(C)(C)[C@@H]1C=O 38995541 571867926 /nfs/dbraw/zinc/86/79/26/571867926.db2.gz MBNRVIXXZDOPIA-XLPZGREQSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@]1(C)C=CC(=O)CC1 38995505 571867931 /nfs/dbraw/zinc/86/79/31/571867931.db2.gz OVFWPWSMANSTRS-SECBINFHSA-N 0 0 136.194 2.098 10 30 AEEERN C[C@@H](C#N)c1ccnn1CC1CCC1 214572675 571870097 /nfs/dbraw/zinc/87/00/97/571870097.db2.gz UKXQOUUKPIRMLQ-VIFPVBQESA-N 0 0 189.262 2.310 10 30 AEEERN C=C=CC(=O)Cc1ccccc1 39017356 571867992 /nfs/dbraw/zinc/86/79/92/571867992.db2.gz HDEFBDFRINQFHZ-UHFFFAOYSA-N 0 0 158.200 2.139 10 30 AEEERN CC[C@@H]1CCC(C)(C)[C@@H](C#N)N1 39017463 571868031 /nfs/dbraw/zinc/86/80/31/571868031.db2.gz LPVLXEAPVHMCGO-RKDXNWHRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1CCCC[C@@H]1CC=O 196133347 571868044 /nfs/dbraw/zinc/86/80/44/571868044.db2.gz ICBHDCFNPPYUAR-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@@H]1CCCC[C@@H]1CC=O 196133338 571868163 /nfs/dbraw/zinc/86/81/63/571868163.db2.gz ICBHDCFNPPYUAR-RKDXNWHRSA-N 0 0 140.226 2.402 10 30 AEEERN C/C=C(/C)[C@@H](OCC)[C@H](C)C=O 687806415 571868225 /nfs/dbraw/zinc/86/82/25/571868225.db2.gz OTAOMQGSUUNNFY-MMIMJOASSA-N 0 0 170.252 2.193 10 30 AEEERN O/N=C1\CC[C@@H]2CC=CC[C@H]12 24206117 571868248 /nfs/dbraw/zinc/86/82/48/571868248.db2.gz WXBYOTABPGMMTM-MXJIBWSFSA-N 0 0 151.209 2.193 10 30 AEEERN C#C[C@H](C)[C@H]1CCCCC1=O 196121667 571868255 /nfs/dbraw/zinc/86/82/55/571868255.db2.gz QDIDFLDOMBSFDX-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN CC1=CC[C@H](C(F)(F)F)C1=O 139035777 571868259 /nfs/dbraw/zinc/86/82/59/571868259.db2.gz MBTFPJUQNBCCSS-YFKPBYRVSA-N 0 0 164.126 2.084 10 30 AEEERN CC(C)C[C@@H](C)C[C@H](C#N)CO 300738523 571868387 /nfs/dbraw/zinc/86/83/87/571868387.db2.gz ANVATKBJPXAJFG-NXEZZACHSA-N 0 0 169.268 2.191 10 30 AEEERN CC(=O)[C@@H](CC#CC(C)(C)C)CCO 300741792 571868403 /nfs/dbraw/zinc/86/84/03/571868403.db2.gz IOUNCSDVGSWRSL-NSHDSACASA-N 0 0 196.290 2.014 10 30 AEEERN C=CC[C@@H](C=O)c1ccco1 39017238 571868404 /nfs/dbraw/zinc/86/84/04/571868404.db2.gz WGDPVXCPZNTKFI-QMMMGPOBSA-N 0 0 150.177 2.138 10 30 AEEERN CC(C)C[C@@H](C)C[C@@H](C#N)CO 300738526 571868407 /nfs/dbraw/zinc/86/84/07/571868407.db2.gz ANVATKBJPXAJFG-ZJUUUORDSA-N 0 0 169.268 2.191 10 30 AEEERN O=CC(F)(F)C1CCCCC1 139034154 571868436 /nfs/dbraw/zinc/86/84/36/571868436.db2.gz RCHOPSHIJGFBNF-UHFFFAOYSA-N 0 0 162.179 2.401 10 30 AEEERN CC(C)C[C@H](C)C[C@@H](C#N)CO 300738524 571868489 /nfs/dbraw/zinc/86/84/89/571868489.db2.gz ANVATKBJPXAJFG-UWVGGRQHSA-N 0 0 169.268 2.191 10 30 AEEERN C[C@@H]1CCCC[C@H]1CC=O 196133353 571868516 /nfs/dbraw/zinc/86/85/16/571868516.db2.gz ICBHDCFNPPYUAR-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN CC[C@H]1CCC(C)(C)[C@H](C#N)N1 39017462 571868530 /nfs/dbraw/zinc/86/85/30/571868530.db2.gz LPVLXEAPVHMCGO-IUCAKERBSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](CS)[C@@]1(CO)C=CC=CC1 38996222 571868543 /nfs/dbraw/zinc/86/85/43/571868543.db2.gz HMWFJOZYDZEQLR-ZJUUUORDSA-N 0 0 184.304 2.047 10 30 AEEERN CC(=O)C=C=Cc1ccccc1 139031005 571868547 /nfs/dbraw/zinc/86/85/47/571868547.db2.gz QBFPYGPHKUXRCL-UHFFFAOYSA-N 0 0 158.200 2.444 10 30 AEEERN CC[C@@H]1CCC(C)(C)[C@H](C#N)N1 39017461 571868557 /nfs/dbraw/zinc/86/85/57/571868557.db2.gz LPVLXEAPVHMCGO-BDAKNGLRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](CS)[C@]1(CO)C=CC=CC1 38996224 571868630 /nfs/dbraw/zinc/86/86/30/571868630.db2.gz HMWFJOZYDZEQLR-NXEZZACHSA-N 0 0 184.304 2.047 10 30 AEEERN C=CC1=C(C=C(C)C)C(=O)[C@@H]1OC 38996063 571868666 /nfs/dbraw/zinc/86/86/66/571868666.db2.gz BPNMAHJJZMFHTM-LLVKDONJSA-N 0 0 178.231 2.033 10 30 AEEERN CC1=Cc2c(F)cccc2C1=O 38995735 571868710 /nfs/dbraw/zinc/86/87/10/571868710.db2.gz FZOOXMODFNEBPK-UHFFFAOYSA-N 0 0 162.163 2.425 10 30 AEEERN CCCCC1=CC(=O)C1 139057032 571868845 /nfs/dbraw/zinc/86/88/45/571868845.db2.gz NAUNYCCKSCFGOF-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN C=C[C@@]1(C)C=CC(=O)CC1 38995506 571868914 /nfs/dbraw/zinc/86/89/14/571868914.db2.gz OVFWPWSMANSTRS-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN CCC[C@@]1(C)CCCN[C@@H]1C#N 38995812 571868997 /nfs/dbraw/zinc/86/89/97/571868997.db2.gz QOYHJKSDEXGKOF-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CC#CCC[C@H](CCC(C)(C)C)NN 300734022 571869010 /nfs/dbraw/zinc/86/90/10/571869010.db2.gz KDKBYWISVFOSCV-LLVKDONJSA-N 0 0 196.338 2.448 10 30 AEEERN C[C@@H]1O[C@@]1(C)C(=O)c1ccccc1 139085834 571869286 /nfs/dbraw/zinc/86/92/86/571869286.db2.gz WAKNFSHYJJBBMP-GZMMTYOYSA-N 0 0 176.215 2.047 10 30 AEEERN C[C@@]1(CC#N)CCCC(=O)C1 38995625 571869343 /nfs/dbraw/zinc/86/93/43/571869343.db2.gz QTCSELVVXGHDKY-VIFPVBQESA-N 0 0 151.209 2.049 10 30 AEEERN C=CC[C@H](C=O)c1ccco1 39017239 571869373 /nfs/dbraw/zinc/86/93/73/571869373.db2.gz WGDPVXCPZNTKFI-MRVPVSSYSA-N 0 0 150.177 2.138 10 30 AEEERN C[C@H](C#N)c1ccnn1CC1CCC1 214572735 571869399 /nfs/dbraw/zinc/86/93/99/571869399.db2.gz UKXQOUUKPIRMLQ-SECBINFHSA-N 0 0 189.262 2.310 10 30 AEEERN C[C@@H](CS)[C@]1(CO)C=CC=CC1 38996223 571869493 /nfs/dbraw/zinc/86/94/93/571869493.db2.gz HMWFJOZYDZEQLR-VHSXEESVSA-N 0 0 184.304 2.047 10 30 AEEERN Cn1cc(CC#N)c(C2CCCC2)n1 214572111 571869516 /nfs/dbraw/zinc/86/95/16/571869516.db2.gz IAMBCCPXRMZVKK-UHFFFAOYSA-N 0 0 189.262 2.144 10 30 AEEERN C#C[C@@H](C)[C@@H]1CCCCC1=O 196121658 571872182 /nfs/dbraw/zinc/87/21/82/571872182.db2.gz QDIDFLDOMBSFDX-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@H](C)[C@@H]1CCCCC1=O 196121651 571869804 /nfs/dbraw/zinc/86/98/04/571869804.db2.gz QDIDFLDOMBSFDX-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN CC(C)[C@H](C#N)[C@@H](O)C(C)(C)C 39038486 571869807 /nfs/dbraw/zinc/86/98/07/571869807.db2.gz ZXLQARGQQWUCCC-DTWKUNHWSA-N 0 0 169.268 2.189 10 30 AEEERN C#C[C@@H](C)[C@H]1CCCCC1=O 196121676 571869809 /nfs/dbraw/zinc/86/98/09/571869809.db2.gz QDIDFLDOMBSFDX-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN C[C@](O)(C=O)CCC1CCCCC1 300740396 571869841 /nfs/dbraw/zinc/86/98/41/571869841.db2.gz IGTGYNLJQLVFSL-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN C[C@@H]1C=CC=CC2=C1CCC2=O 196121698 571869846 /nfs/dbraw/zinc/86/98/46/571869846.db2.gz MVLYVTHMXMPXQS-MRVPVSSYSA-N 0 0 160.216 2.408 10 30 AEEERN CCCCCCCN1CCCN1 400427399 571869920 /nfs/dbraw/zinc/86/99/20/571869920.db2.gz RHNHQLYZUOYMSS-UHFFFAOYSA-N 0 0 170.300 2.167 10 30 AEEERN C=C[C@H](C[C@@H](C)CC(C)(C)C)NN 158423843 571869977 /nfs/dbraw/zinc/86/99/77/571869977.db2.gz LRBMHDLZISPBQF-NXEZZACHSA-N 0 0 184.327 2.467 10 30 AEEERN CC(C)n1nccc1C1(C#N)CCC1 214572433 571870116 /nfs/dbraw/zinc/87/01/16/571870116.db2.gz UZIFOPIDYSDJHR-UHFFFAOYSA-N 0 0 189.262 2.409 10 30 AEEERN C=C=CC(=O)c1ccc(OC)cc1 39017609 571870143 /nfs/dbraw/zinc/87/01/43/571870143.db2.gz COHNSEOABNMKQA-UHFFFAOYSA-N 0 0 174.199 2.219 10 30 AEEERN C=C/C=C/CC[C@H](C)C=O 139076207 571870226 /nfs/dbraw/zinc/87/02/26/571870226.db2.gz FRBYGBLCKOKWCV-MOVJSRMASA-N 0 0 138.210 2.344 10 30 AEEERN C[C@H]1CCC[C@H](COC[C@@H]2CO2)C1 301046737 571870231 /nfs/dbraw/zinc/87/02/31/571870231.db2.gz OZMYECJMIFRHJC-GARJFASQSA-N 0 0 184.279 2.228 10 30 AEEERN C[C@@](O)(C=O)CCC1CCCCC1 300740399 571870243 /nfs/dbraw/zinc/87/02/43/571870243.db2.gz IGTGYNLJQLVFSL-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN C[C@H]1CCC[C@@H](COC[C@@H]2CO2)C1 301046738 571870251 /nfs/dbraw/zinc/87/02/51/571870251.db2.gz OZMYECJMIFRHJC-HBNTYKKESA-N 0 0 184.279 2.228 10 30 AEEERN C=CCN(C(=N)OC)c1ccccc1 205428175 571870553 /nfs/dbraw/zinc/87/05/53/571870553.db2.gz BSWDYBSEHGYLMT-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN C[C@H]1CCC[C@@H](COC[C@H]2CO2)C1 301046735 571870600 /nfs/dbraw/zinc/87/06/00/571870600.db2.gz OZMYECJMIFRHJC-AXFHLTTASA-N 0 0 184.279 2.228 10 30 AEEERN C#C[C@@H](O)[Si](C)(C)C(C)(C)C 196126668 571870780 /nfs/dbraw/zinc/87/07/80/571870780.db2.gz AJYXCJDHHPQYBD-QMMMGPOBSA-N 0 0 170.328 2.028 10 30 AEEERN C/C(COc1ccc(C)cc1)=N\O 139091600 571870824 /nfs/dbraw/zinc/87/08/24/571870824.db2.gz ABTAWBJKKODWSR-PKNBQFBNSA-N 0 0 179.219 2.224 10 30 AEEERN C[C@H]1C=CC=CC2=C1CCC2=O 196121708 571870884 /nfs/dbraw/zinc/87/08/84/571870884.db2.gz MVLYVTHMXMPXQS-QMMMGPOBSA-N 0 0 160.216 2.408 10 30 AEEERN CC1=CC=CC[C@@H](C)C1=O 196126858 571871009 /nfs/dbraw/zinc/87/10/09/571871009.db2.gz KXQNEXYOFXADMW-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN Cc1nc2n(c1CC#N)CCC[C@H]2C 214571637 571871219 /nfs/dbraw/zinc/87/12/19/571871219.db2.gz JNADWBMKJRDGIQ-MRVPVSSYSA-N 0 0 189.262 2.155 10 30 AEEERN N#C[C@@H](C=O)CC1CCCCC1 39038395 571871384 /nfs/dbraw/zinc/87/13/84/571871384.db2.gz IZQJSJYBFVOSDJ-JTQLQIEISA-N 0 0 165.236 2.295 10 30 AEEERN Cc1nc2n(c1CC#N)[C@H](C)CCC2 214571813 571871401 /nfs/dbraw/zinc/87/14/01/571871401.db2.gz CNWMZSNPRMCRRX-MRVPVSSYSA-N 0 0 189.262 2.155 10 30 AEEERN CCCCCCC(=O)CS 139096082 571871419 /nfs/dbraw/zinc/87/14/19/571871419.db2.gz HLDOKYPCLLFCGD-UHFFFAOYSA-N 0 0 160.282 2.456 10 30 AEEERN C[C@H]1CC/C(=N/O)C[C@@H]1C 38972909 571871425 /nfs/dbraw/zinc/87/14/25/571871425.db2.gz DWUJEJVKWCWSQY-CMQPYUFFSA-N 0 0 141.214 2.273 10 30 AEEERN O=C1CCCCC=C1N1CCCC1 196125561 571871508 /nfs/dbraw/zinc/87/15/08/571871508.db2.gz IXLNPBXLJRBKGQ-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN C/C=C1\Oc2ccc(C)cc2C1=O 39038591 571871627 /nfs/dbraw/zinc/87/16/27/571871627.db2.gz INYXIINRSTVGGA-OQFOIZHKSA-N 0 0 174.199 2.474 10 30 AEEERN CC(=O)C(=C=NC(C)(C)C)N=[N+]=[N-] 196127914 571871654 /nfs/dbraw/zinc/87/16/54/571871654.db2.gz OBALZNULOOAYCX-UHFFFAOYSA-N 0 0 180.211 2.238 10 30 AEEERN Cc1nc2n(c1CC#N)CCC[C@@H]2C 214571686 571871694 /nfs/dbraw/zinc/87/16/94/571871694.db2.gz JNADWBMKJRDGIQ-QMMMGPOBSA-N 0 0 189.262 2.155 10 30 AEEERN C[C@H]1CCC[C@H](COC[C@H]2CO2)C1 301046736 571871831 /nfs/dbraw/zinc/87/18/31/571871831.db2.gz OZMYECJMIFRHJC-DCAQKATOSA-N 0 0 184.279 2.228 10 30 AEEERN C=CC[C@@H]1C[C@H]2[C@@H](C1=O)C2(C)C 196123842 571871758 /nfs/dbraw/zinc/87/17/58/571871758.db2.gz JUYSSEXFFWSROP-VGMNWLOBSA-N 0 0 164.248 2.424 10 30 AEEERN C#C[C@H](O)[Si](C)(C)C(C)(C)C 196126673 571872007 /nfs/dbraw/zinc/87/20/07/571872007.db2.gz AJYXCJDHHPQYBD-MRVPVSSYSA-N 0 0 170.328 2.028 10 30 AEEERN C=CC[C@H](O)CCOCCCC 144878403 571872053 /nfs/dbraw/zinc/87/20/53/571872053.db2.gz CTFQPGOYCTVGOU-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN COCCCC(=O)C1=CCCC1 234664148 571872268 /nfs/dbraw/zinc/87/22/68/571872268.db2.gz ADTCZTTUWKCQOC-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN CC1=CCC(C)(C)C=CC1=O 196128077 571872296 /nfs/dbraw/zinc/87/22/96/571872296.db2.gz DBZJHVIAFKCDOH-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CC1=CC(=O)[C@@H]2C(C)(C)[C@]12C 39059216 571872371 /nfs/dbraw/zinc/87/23/71/571872371.db2.gz KHHZYFPXYPZCFO-PSASIEDQSA-N 0 0 150.221 2.178 10 30 AEEERN CCCCC#C[C@H]1C[C@H]1C=O 39049917 571872535 /nfs/dbraw/zinc/87/25/35/571872535.db2.gz UIGWOTQMGYPYAZ-UWVGGRQHSA-N 0 0 150.221 2.015 10 30 AEEERN COCCCC(=O)C1=CCCCC1 234664196 571872567 /nfs/dbraw/zinc/87/25/67/571872567.db2.gz UJAVMCMBRFIZHM-UHFFFAOYSA-N 0 0 182.263 2.483 10 30 AEEERN Cc1nc2n(c1CC#N)[C@@H](C)CCC2 214571766 571872589 /nfs/dbraw/zinc/87/25/89/571872589.db2.gz CNWMZSNPRMCRRX-QMMMGPOBSA-N 0 0 189.262 2.155 10 30 AEEERN CCCCC#C[C@@H]1C[C@H]1C=O 39049916 571872798 /nfs/dbraw/zinc/87/27/98/571872798.db2.gz UIGWOTQMGYPYAZ-ZJUUUORDSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCCC(=O)[C@@H](C)CSC 300747857 571872879 /nfs/dbraw/zinc/87/28/79/571872879.db2.gz DQWAJYZZWGVAHH-VIFPVBQESA-N 0 0 184.304 2.358 10 30 AEEERN C=C(C)Oc1ccccc1O 220785932 571872963 /nfs/dbraw/zinc/87/29/63/571872963.db2.gz BHVLIWNBFBGRCQ-UHFFFAOYSA-N 0 0 150.177 2.305 10 30 AEEERN Cc1ccc([C@@H]2CC(=O)C=CN2)cc1 196132930 571873064 /nfs/dbraw/zinc/87/30/64/571873064.db2.gz GGJFAOORBCEMEZ-LBPRGKRZSA-N 0 0 187.242 2.112 10 30 AEEERN CC1=C2CCC=C2[C@H](C)C1=O 39059061 571873285 /nfs/dbraw/zinc/87/32/85/571873285.db2.gz NBCMRTMBKZFSOS-LURJTMIESA-N 0 0 148.205 2.242 10 30 AEEERN CC1=C2CCC=C2[C@@H](C)C1=O 39059060 571873297 /nfs/dbraw/zinc/87/32/97/571873297.db2.gz NBCMRTMBKZFSOS-ZCFIWIBFSA-N 0 0 148.205 2.242 10 30 AEEERN C=C(C)/C=C\[C@@H](CO)C(=C)C 111956120 571873474 /nfs/dbraw/zinc/87/34/74/571873474.db2.gz KBVFHOKBXAUWHI-OMMCCPJFSA-N 0 0 152.237 2.303 10 30 AEEERN N#Cc1ccc([C@H](O)c2ccco2)cc1 111875006 571873503 /nfs/dbraw/zinc/87/35/03/571873503.db2.gz IILRGIYJEPRPPT-LBPRGKRZSA-N 0 0 199.209 2.233 10 30 AEEERN C=CCC1=CC(=O)CC[C@@H]1C 39059198 571873537 /nfs/dbraw/zinc/87/35/37/571873537.db2.gz VSQNBAMGZLZKGV-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN CC#CCCC(=O)[C@H](C)CSC 300747855 571873540 /nfs/dbraw/zinc/87/35/40/571873540.db2.gz DQWAJYZZWGVAHH-SECBINFHSA-N 0 0 184.304 2.358 10 30 AEEERN C=C(C)[C@H](C)C(=O)CC 196132225 571873561 /nfs/dbraw/zinc/87/35/61/571873561.db2.gz HZPAFNZJPBJGHQ-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)/C=C\[C@H](CO)C(=C)C 111956123 571873629 /nfs/dbraw/zinc/87/36/29/571873629.db2.gz KBVFHOKBXAUWHI-WWQCOOJYSA-N 0 0 152.237 2.303 10 30 AEEERN CCCCC#C[C@@H]1C[C@@H]1C=O 39049914 571873646 /nfs/dbraw/zinc/87/36/46/571873646.db2.gz UIGWOTQMGYPYAZ-NXEZZACHSA-N 0 0 150.221 2.015 10 30 AEEERN C=C(C)[C@@H](C)C(=O)CC 196132231 571873795 /nfs/dbraw/zinc/87/37/95/571873795.db2.gz HZPAFNZJPBJGHQ-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C#CCCC[C@@H](O)[C@H](C)CSC 300747911 571873880 /nfs/dbraw/zinc/87/38/80/571873880.db2.gz DTDILWFBTPUSIS-NXEZZACHSA-N 0 0 186.320 2.150 10 30 AEEERN C#CCCC[C@H](O)[C@H](C)CSC 300747916 571873902 /nfs/dbraw/zinc/87/39/02/571873902.db2.gz DTDILWFBTPUSIS-ZJUUUORDSA-N 0 0 186.320 2.150 10 30 AEEERN C=C([C@@H](C)C=O)[Si](C)(C)C 196131985 571874022 /nfs/dbraw/zinc/87/40/22/571874022.db2.gz KSYKVYLZHNQOEX-ZETCQYMHSA-N 0 0 156.301 2.255 10 30 AEEERN C/C=C\[C@H](C)C(C)(C)C=O 208882577 571874272 /nfs/dbraw/zinc/87/42/72/571874272.db2.gz UPJIVEKXVHYBBK-SLGIHZDVSA-N 0 0 140.226 2.424 10 30 AEEERN C#CCCC[C@H](O)[C@@H](C)CSC 300747913 571874341 /nfs/dbraw/zinc/87/43/41/571874341.db2.gz DTDILWFBTPUSIS-UWVGGRQHSA-N 0 0 186.320 2.150 10 30 AEEERN CC1=CC(=O)[C@H]2C(C)(C)[C@@]12C 39059217 571874703 /nfs/dbraw/zinc/87/47/03/571874703.db2.gz KHHZYFPXYPZCFO-WPRPVWTQSA-N 0 0 150.221 2.178 10 30 AEEERN CCCCC#C[C@H]1C[C@@H]1C=O 39049915 571874798 /nfs/dbraw/zinc/87/47/98/571874798.db2.gz UIGWOTQMGYPYAZ-VHSXEESVSA-N 0 0 150.221 2.015 10 30 AEEERN CC1(C=O)CCC(F)CC1 39061378 571877138 /nfs/dbraw/zinc/87/71/38/571877138.db2.gz RBMFTCCTOJSLSR-UHFFFAOYSA-N 0 0 144.189 2.104 10 30 AEEERN C#CCCC[C@@H](O)[C@@H](C)CSC 300747914 571875052 /nfs/dbraw/zinc/87/50/52/571875052.db2.gz DTDILWFBTPUSIS-VHSXEESVSA-N 0 0 186.320 2.150 10 30 AEEERN C=C(CC)[C@H](C)[C@@H](O)CC 196132283 571875170 /nfs/dbraw/zinc/87/51/70/571875170.db2.gz YTRKUIPZEBIJTJ-IUCAKERBSA-N 0 0 142.242 2.360 10 30 AEEERN N#Cc1ccc([C@@H](O)c2ccco2)cc1 111875003 571875195 /nfs/dbraw/zinc/87/51/95/571875195.db2.gz IILRGIYJEPRPPT-GFCCVEGCSA-N 0 0 199.209 2.233 10 30 AEEERN O=C[C@@H]1CC=C[C@H]2CCC[C@H]21 39062000 571875333 /nfs/dbraw/zinc/87/53/33/571875333.db2.gz DVHNTRZYIBVUCZ-LPEHRKFASA-N 0 0 150.221 2.178 10 30 AEEERN O=C[C@H]1C=CCc2ccccc21 39063280 571875367 /nfs/dbraw/zinc/87/53/67/571875367.db2.gz WJUZGIWKFBUJNB-SNVBAGLBSA-N 0 0 158.200 2.081 10 30 AEEERN O=C[C@@H]1C[C@@H]1Cc1ccccc1 39060550 571875372 /nfs/dbraw/zinc/87/53/72/571875372.db2.gz SQBGPKWXKCEUGN-QWRGUYRKSA-N 0 0 160.216 2.064 10 30 AEEERN O=C[C@]12CC=CCC1=CCC2 39061740 571875378 /nfs/dbraw/zinc/87/53/78/571875378.db2.gz KBTWRTYYMRUVIN-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@]1(C)C=O 39062010 571875495 /nfs/dbraw/zinc/87/54/95/571875495.db2.gz MWIMNADEOQZXBT-JXUBOQSCSA-N 0 0 150.221 2.034 10 30 AEEERN CC[C@]1(C=O)C[C@H]2C=C[C@@H]1C2 39062001 571875684 /nfs/dbraw/zinc/87/56/84/571875684.db2.gz QOZQBVVQOKPJLC-IVZWLZJFSA-N 0 0 150.221 2.178 10 30 AEEERN O=C[C@@]12C=CC=C[C@@H]1C=CCC2 39060615 571875750 /nfs/dbraw/zinc/87/57/50/571875750.db2.gz XAMOBHDRLTVMFU-MNOVXSKESA-N 0 0 160.216 2.264 10 30 AEEERN C#C[C@@](C)(CC)OC(=O)NCCCC 204911544 571875759 /nfs/dbraw/zinc/87/57/59/571875759.db2.gz OYKXRGCHXVLSPW-NSHDSACASA-N 0 0 197.278 2.315 10 30 AEEERN CC#CCC[C@H](O)[C@H](C)CSC 300746030 571875872 /nfs/dbraw/zinc/87/58/72/571875872.db2.gz CPVKPQGSXJHSTM-ZJUUUORDSA-N 0 0 186.320 2.150 10 30 AEEERN CCC[C@H](CC#CC(C)(C)C)NN 300750316 571875906 /nfs/dbraw/zinc/87/59/06/571875906.db2.gz KXHVFUPQEIGGQF-SNVBAGLBSA-N 0 0 182.311 2.058 10 30 AEEERN C#C[C@@H](O)C/C=C/C/C=C/CC 209404012 571876158 /nfs/dbraw/zinc/87/61/58/571876158.db2.gz VZUQMDBTDFHBLK-ZYZIIRIYSA-N 0 0 164.248 2.283 10 30 AEEERN C[C@@H]1[C@@H](C=O)CC=CC12CC2 39061964 571876169 /nfs/dbraw/zinc/87/61/69/571876169.db2.gz WCUWUKOBGOQUAX-RKDXNWHRSA-N 0 0 150.221 2.178 10 30 AEEERN CC[C@]1(C=O)C[C@@H]2C=C[C@H]1C2 39062004 571876200 /nfs/dbraw/zinc/87/62/00/571876200.db2.gz QOZQBVVQOKPJLC-KXUCPTDWSA-N 0 0 150.221 2.178 10 30 AEEERN CC[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C=O 39061998 571876264 /nfs/dbraw/zinc/87/62/64/571876264.db2.gz OVDYFVSRBZYTMF-RGOKHQFPSA-N 0 0 150.221 2.034 10 30 AEEERN O=C[C@H]1CC=CC2=CCC[C@@H]21 39061716 571876342 /nfs/dbraw/zinc/87/63/42/571876342.db2.gz WOHULZMHASQFSO-ZJUUUORDSA-N 0 0 148.205 2.098 10 30 AEEERN CC1(C)CCC[C@@]1(C)C=O 39060639 571876454 /nfs/dbraw/zinc/87/64/54/571876454.db2.gz XUGKPFYKVFLLRY-VIFPVBQESA-N 0 0 140.226 2.402 10 30 AEEERN C#CC(CCC)(CCC)OC(=O)NC 204911569 571876473 /nfs/dbraw/zinc/87/64/73/571876473.db2.gz ANMXKMDPFBYJCX-UHFFFAOYSA-N 0 0 197.278 2.315 10 30 AEEERN CC(C)[C@@H]1CC[C@H](C=O)C1 39060787 571876530 /nfs/dbraw/zinc/87/65/30/571876530.db2.gz BZVXJRPRPZWNKM-DTWKUNHWSA-N 0 0 140.226 2.258 10 30 AEEERN CC[C@H](OC)C(=O)CC#CC(C)(C)C 300750198 571876549 /nfs/dbraw/zinc/87/65/49/571876549.db2.gz KUOSZLODKZHLLS-NSHDSACASA-N 0 0 196.290 2.420 10 30 AEEERN C[C@]1(C=O)CCC[C@@H](F)C1 39061380 571876555 /nfs/dbraw/zinc/87/65/55/571876555.db2.gz RIGBQMXYMZJUEW-SFYZADRCSA-N 0 0 144.189 2.104 10 30 AEEERN C/C=C\[C@H]1CC=CC[C@@H]1C=O 39061943 571876561 /nfs/dbraw/zinc/87/65/61/571876561.db2.gz MGIQAPUZWNNIFJ-XRMSOAODSA-N 0 0 150.221 2.344 10 30 AEEERN C=CCC(=O)c1ccnn1C(C)C 300752313 571878782 /nfs/dbraw/zinc/87/87/82/571878782.db2.gz KUCIEBNYRAXBDU-UHFFFAOYSA-N 0 0 178.235 2.223 10 30 AEEERN FC(F)(F)COC/C=C\CS 211619278 571876630 /nfs/dbraw/zinc/87/66/30/571876630.db2.gz WBSGQOQCIDDXRV-UPHRSURJSA-N 0 0 186.198 2.051 10 30 AEEERN O=C[C@@]12CC=CCC1=CCC2 39061738 571876700 /nfs/dbraw/zinc/87/67/00/571876700.db2.gz KBTWRTYYMRUVIN-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN C#C[C@@H](O)CCCC/C=C\C=C 210021609 571876792 /nfs/dbraw/zinc/87/67/92/571876792.db2.gz UFENSZSEQBIEPX-ISALQUGTSA-N 0 0 164.248 2.283 10 30 AEEERN C[C@H]1CCC(C)(C)[C@@H]1C=O 39060802 571876810 /nfs/dbraw/zinc/87/68/10/571876810.db2.gz RKKPATKPHGNXDE-JGVFFNPUSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1[C@@H](C=O)[C@@H]1c1ccccc1 39060619 571876815 /nfs/dbraw/zinc/87/68/15/571876815.db2.gz RLBQZVKSAJCVED-GDPRMGEGSA-N 0 0 160.216 2.235 10 30 AEEERN CCC[C@@H](CC#CC(C)(C)C)NN 300750314 571876817 /nfs/dbraw/zinc/87/68/17/571876817.db2.gz KXHVFUPQEIGGQF-JTQLQIEISA-N 0 0 182.311 2.058 10 30 AEEERN O=C[C@H]1C[C@H]1Cc1ccccc1 39060506 571876881 /nfs/dbraw/zinc/87/68/81/571876881.db2.gz SQBGPKWXKCEUGN-GHMZBOCLSA-N 0 0 160.216 2.064 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C=O)C1 39060793 571876886 /nfs/dbraw/zinc/87/68/86/571876886.db2.gz BZVXJRPRPZWNKM-BDAKNGLRSA-N 0 0 140.226 2.258 10 30 AEEERN O=CCCCCC1CCOCC1 300744738 571876916 /nfs/dbraw/zinc/87/69/16/571876916.db2.gz JGOYJJZDXZQQNJ-UHFFFAOYSA-N 0 0 170.252 2.172 10 30 AEEERN C#CCC[C@@H](CCC(C)(C)C)NN 300757243 571881156 /nfs/dbraw/zinc/88/11/56/571881156.db2.gz VBJIRECXOOILQR-JTQLQIEISA-N 0 0 182.311 2.058 10 30 AEEERN CC[C@@]1(C=O)C[C@@H]2C=C[C@H]1C2 39062005 571877015 /nfs/dbraw/zinc/87/70/15/571877015.db2.gz QOZQBVVQOKPJLC-UTLUCORTSA-N 0 0 150.221 2.178 10 30 AEEERN C#C[C@](C)(CC)OC(=O)NCCCC 204911528 571877149 /nfs/dbraw/zinc/87/71/49/571877149.db2.gz OYKXRGCHXVLSPW-LLVKDONJSA-N 0 0 197.278 2.315 10 30 AEEERN C#C[C@@H](O)C/C=C/C/C=C\CC 209403979 571877165 /nfs/dbraw/zinc/87/71/65/571877165.db2.gz VZUQMDBTDFHBLK-ZXMWCJDMSA-N 0 0 164.248 2.283 10 30 AEEERN C=CCCCN(C)C(=O)C=C(C)C 300745334 571877187 /nfs/dbraw/zinc/87/71/87/571877187.db2.gz PUOFHUJMCYDPBF-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C/C(=N/O)c1cccc(C)c1 6924188 571877337 /nfs/dbraw/zinc/87/73/37/571877337.db2.gz NTOAVKFMIIVSOW-NTMALXAHSA-N 0 0 149.193 2.193 10 30 AEEERN CC#CCC[C@@H](O)[C@H](C)CSC 300746024 571877388 /nfs/dbraw/zinc/87/73/88/571877388.db2.gz CPVKPQGSXJHSTM-NXEZZACHSA-N 0 0 186.320 2.150 10 30 AEEERN C/C=C\C(=O)[C@@]1(C)CCCC(=O)C1 210478558 571877444 /nfs/dbraw/zinc/87/74/44/571877444.db2.gz DNYBTDYSVATSGT-MZBZXASESA-N 0 0 180.247 2.281 10 30 AEEERN C[C@@]1(C=O)CCC[C@H](F)C1 39061376 571877446 /nfs/dbraw/zinc/87/74/46/571877446.db2.gz RIGBQMXYMZJUEW-JGVFFNPUSA-N 0 0 144.189 2.104 10 30 AEEERN O=C[C@H]1CC=CC2=CCC[C@H]21 39061718 571877459 /nfs/dbraw/zinc/87/74/59/571877459.db2.gz WOHULZMHASQFSO-NXEZZACHSA-N 0 0 148.205 2.098 10 30 AEEERN CC(C)C[C@@H](CC#CC(C)(C)C)NN 300744710 571877492 /nfs/dbraw/zinc/87/74/92/571877492.db2.gz JFWBWBJWKWJUCF-LLVKDONJSA-N 0 0 196.338 2.304 10 30 AEEERN O=C[C@@H]1C[C@H]1Cc1ccccc1 39060548 571877503 /nfs/dbraw/zinc/87/75/03/571877503.db2.gz SQBGPKWXKCEUGN-MNOVXSKESA-N 0 0 160.216 2.064 10 30 AEEERN C[C@H]1[C@@H](C=O)CC=CC12CC2 39061966 571877587 /nfs/dbraw/zinc/87/75/87/571877587.db2.gz WCUWUKOBGOQUAX-DTWKUNHWSA-N 0 0 150.221 2.178 10 30 AEEERN CC#CCC[C@@H](O)[C@@H](C)CSC 300746029 571877657 /nfs/dbraw/zinc/87/76/57/571877657.db2.gz CPVKPQGSXJHSTM-VHSXEESVSA-N 0 0 186.320 2.150 10 30 AEEERN C=CCCOC/C=C\CS 211620986 571877722 /nfs/dbraw/zinc/87/77/22/571877722.db2.gz HQMXWPPKBNPZOO-PLNGDYQASA-N 0 0 158.266 2.065 10 30 AEEERN CC#CCC[C@H](O)[C@@H](C)CSC 300746026 571877923 /nfs/dbraw/zinc/87/79/23/571877923.db2.gz CPVKPQGSXJHSTM-UWVGGRQHSA-N 0 0 186.320 2.150 10 30 AEEERN CC[C@@H](OC)C(=O)CC#CC(C)(C)C 300750196 571878029 /nfs/dbraw/zinc/87/80/29/571878029.db2.gz KUOSZLODKZHLLS-LLVKDONJSA-N 0 0 196.290 2.420 10 30 AEEERN CC(=O)C1=C(C)O[C@@H]2C=CCC[C@H]12 39074625 571881136 /nfs/dbraw/zinc/88/11/36/571881136.db2.gz SIJFVZUHFKSSKW-VHSXEESVSA-N 0 0 178.231 2.214 10 30 AEEERN C=C(C)C/C(C)=C/C(C)=O 39068862 571878130 /nfs/dbraw/zinc/87/81/30/571878130.db2.gz JBNFORSKOSTWSB-SOFGYWHQSA-N 0 0 138.210 2.488 10 30 AEEERN N#C[C@@H](CO)CCC1CCCC1 300755942 571881141 /nfs/dbraw/zinc/88/11/41/571881141.db2.gz MPKFLTSDLFWOSD-JTQLQIEISA-N 0 0 167.252 2.089 10 30 AEEERN C#CC[C@@H](O)/C=C\c1ccccc1 209649271 571878195 /nfs/dbraw/zinc/87/81/95/571878195.db2.gz GFEXJIFQSYBITL-ZWLSGLHFSA-N 0 0 172.227 2.084 10 30 AEEERN C=C1CC2=C(O1)[C@H](C)CCC2=O 39074325 571881149 /nfs/dbraw/zinc/88/11/49/571881149.db2.gz DJOFCYGHEXQYLL-ZCFIWIBFSA-N 0 0 164.204 2.174 10 30 AEEERN C=C[C@H](O)CC/C=C\CCC#N 207129885 571878337 /nfs/dbraw/zinc/87/83/37/571878337.db2.gz ISSVLHOOBGQYLO-XOULXFPDSA-N 0 0 165.236 2.173 10 30 AEEERN N#C[C@@H]1NCCCC12CCCCC2 39074632 571881169 /nfs/dbraw/zinc/88/11/69/571881169.db2.gz UCRDMIBPTIWBQY-JTQLQIEISA-N 0 0 178.279 2.212 10 30 AEEERN CCO[C@@H](C)[C@H](O)CC#CC(C)(C)C 300757412 571881172 /nfs/dbraw/zinc/88/11/72/571881172.db2.gz MXVMLKCVEWFKTJ-WDEREUQCSA-N 0 0 198.306 2.212 10 30 AEEERN C=CC[C@@H](C=C)OC=C 196394511 571878655 /nfs/dbraw/zinc/87/86/55/571878655.db2.gz HYBZICOSRBZUTQ-MRVPVSSYSA-N 0 0 124.183 2.277 10 30 AEEERN C=CC(=O)CCC(=C)C 39073997 571878686 /nfs/dbraw/zinc/87/86/86/571878686.db2.gz FZTKOXBDJNTWKI-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C[C@@H](C#N)N(C)Cc1cccs1 47916588 571878832 /nfs/dbraw/zinc/87/88/32/571878832.db2.gz IYRXFEQPRBMCLH-QMMMGPOBSA-N 0 0 180.276 2.092 10 30 AEEERN CC#CC[C@H](CCC(C)(C)C)NN 300751211 571878932 /nfs/dbraw/zinc/87/89/32/571878932.db2.gz RJSHANFMIGFVGF-SNVBAGLBSA-N 0 0 182.311 2.058 10 30 AEEERN C/C=C/CC[C@H](C)C=O 39074007 571878975 /nfs/dbraw/zinc/87/89/75/571878975.db2.gz VNHCCMKKBXMUGE-RTMURIBGSA-N 0 0 126.199 2.178 10 30 AEEERN COCCC[C@H](O)CC#CC(C)(C)C 300750756 571878992 /nfs/dbraw/zinc/87/89/92/571878992.db2.gz LBAQTXGWMFSTCP-LLVKDONJSA-N 0 0 198.306 2.214 10 30 AEEERN COCCC[C@@H](O)CC#CC(C)(C)C 300750757 571879160 /nfs/dbraw/zinc/87/91/60/571879160.db2.gz LBAQTXGWMFSTCP-NSHDSACASA-N 0 0 198.306 2.214 10 30 AEEERN C/C=C/CC[C@@H](C)C=O 39074006 571879306 /nfs/dbraw/zinc/87/93/06/571879306.db2.gz VNHCCMKKBXMUGE-MPJRPATESA-N 0 0 126.199 2.178 10 30 AEEERN C[C@H](C#N)N(C)CC1CCCC1 45144298 571879466 /nfs/dbraw/zinc/87/94/66/571879466.db2.gz RWYLENCPSGKAMD-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CC/C(=C\SC)C(C)=O 39069381 571879771 /nfs/dbraw/zinc/87/97/71/571879771.db2.gz VCHXNCUOKQKGJJ-FNORWQNLSA-N 0 0 144.239 2.232 10 30 AEEERN CCCCCCCn1ccn(C)c1=O 124364231 571879830 /nfs/dbraw/zinc/87/98/30/571879830.db2.gz SQBSBSCPXFOGNP-UHFFFAOYSA-N 0 0 196.294 2.157 10 30 AEEERN C[C@H](C#N)N(C)Cc1cccs1 47916589 571879904 /nfs/dbraw/zinc/87/99/04/571879904.db2.gz IYRXFEQPRBMCLH-MRVPVSSYSA-N 0 0 180.276 2.092 10 30 AEEERN C=C(C)[C@@H](CCC(C)(C)C)NN 300751881 571879918 /nfs/dbraw/zinc/87/99/18/571879918.db2.gz RTNMCCILOYFCLJ-SECBINFHSA-N 0 0 170.300 2.221 10 30 AEEERN C[C@H](C#N)N(C)Cc1ccc(F)cc1 44287112 571880137 /nfs/dbraw/zinc/88/01/37/571880137.db2.gz YFWIXXWZAAPSHS-SECBINFHSA-N 0 0 192.237 2.170 10 30 AEEERN CC#CC[C@@H](CCC(C)(C)C)NN 300751210 571880160 /nfs/dbraw/zinc/88/01/60/571880160.db2.gz RJSHANFMIGFVGF-JTQLQIEISA-N 0 0 182.311 2.058 10 30 AEEERN CC(=O)C1=C(C)O[C@H]2C=CCC[C@H]12 39074623 571880451 /nfs/dbraw/zinc/88/04/51/571880451.db2.gz SIJFVZUHFKSSKW-UWVGGRQHSA-N 0 0 178.231 2.214 10 30 AEEERN CC[C@H](C)[C@](C)(C#N)O[C@H](C)[C@H](C)O 300032588 571881638 /nfs/dbraw/zinc/88/16/38/571881638.db2.gz QJJFGJJTFIJVFA-MMWGEVLESA-N 0 0 199.294 2.101 10 30 AEEERN C=C1CC2=C(O1)[C@@H](C)CCC2=O 39074326 571880578 /nfs/dbraw/zinc/88/05/78/571880578.db2.gz DJOFCYGHEXQYLL-LURJTMIESA-N 0 0 164.204 2.174 10 30 AEEERN CC[C@H](C)[C@](C)(C#N)O[C@H](C)[C@@H](C)O 300032593 571881645 /nfs/dbraw/zinc/88/16/45/571881645.db2.gz QJJFGJJTFIJVFA-ZDCRXTMVSA-N 0 0 199.294 2.101 10 30 AEEERN CCC[C@H](C)[C@H](C#N)O[C@H](C)[C@H](C)O 300027302 571881662 /nfs/dbraw/zinc/88/16/62/571881662.db2.gz BPEAWBQPTJTVHD-MMWGEVLESA-N 0 0 199.294 2.101 10 30 AEEERN CC(C)(C)CCC[C@@H](C#N)CO 300757419 571881665 /nfs/dbraw/zinc/88/16/65/571881665.db2.gz KRCAKSMNKHKMLH-VIFPVBQESA-N 0 0 169.268 2.335 10 30 AEEERN CC(=O)C1=C(C)O[C@@H]2C=CCC[C@@H]12 39074624 571881009 /nfs/dbraw/zinc/88/10/09/571881009.db2.gz SIJFVZUHFKSSKW-NXEZZACHSA-N 0 0 178.231 2.214 10 30 AEEERN C=C(C)C[C@@H](O)[C@@H](C)CSC 300755972 571881028 /nfs/dbraw/zinc/88/10/28/571881028.db2.gz JVUJYFPXHFMTCU-DTWKUNHWSA-N 0 0 174.309 2.313 10 30 AEEERN C=C(C)C[C@H](O)[C@@H](C)CSC 300755973 571881080 /nfs/dbraw/zinc/88/10/80/571881080.db2.gz JVUJYFPXHFMTCU-IUCAKERBSA-N 0 0 174.309 2.313 10 30 AEEERN CCC(CC)[C@H](C#N)O[C@H](C)[C@H](C)O 300030374 571881099 /nfs/dbraw/zinc/88/10/99/571881099.db2.gz KLMRWZOXQJODHK-NGZCFLSTSA-N 0 0 199.294 2.101 10 30 AEEERN CC(C)(C)CCC[C@H](C#N)CO 300757416 571881211 /nfs/dbraw/zinc/88/12/11/571881211.db2.gz KRCAKSMNKHKMLH-SECBINFHSA-N 0 0 169.268 2.335 10 30 AEEERN C#CCC[C@H](CCC(C)(C)C)NN 300757246 571881313 /nfs/dbraw/zinc/88/13/13/571881313.db2.gz VBJIRECXOOILQR-SNVBAGLBSA-N 0 0 182.311 2.058 10 30 AEEERN C=C(C)C[C@H](NN)C12CCC(CC1)C2 711072028 571881328 /nfs/dbraw/zinc/88/13/28/571881328.db2.gz LBYLJDDKOOUDNJ-CXQJBGSLSA-N 0 0 194.322 2.365 10 30 AEEERN C[C@H](O)[C@H](C)O[C@H](C#N)CC(C)(C)C 300030038 571881523 /nfs/dbraw/zinc/88/15/23/571881523.db2.gz JSSGJFIWYFXXHK-GUBZILKMSA-N 0 0 199.294 2.101 10 30 AEEERN CCO[C@@H](C)[C@@H](O)CC#CC(C)(C)C 300757408 571882010 /nfs/dbraw/zinc/88/20/10/571882010.db2.gz MXVMLKCVEWFKTJ-QWRGUYRKSA-N 0 0 198.306 2.212 10 30 AEEERN C[C@H](CC#N)Cc1nc(C2CC2)no1 235400965 571882029 /nfs/dbraw/zinc/88/20/29/571882029.db2.gz DKHFROIOWMMIPS-SSDOTTSWSA-N 0 0 191.234 2.039 10 30 AEEERN CCCCC[C@H](C#N)O[C@@H](C)[C@H](C)O 300031595 571882035 /nfs/dbraw/zinc/88/20/35/571882035.db2.gz NQVAMRWVUPOFBW-GARJFASQSA-N 0 0 199.294 2.245 10 30 AEEERN CCC(CC)CO[C@H](C)C#N 300756861 571882040 /nfs/dbraw/zinc/88/20/40/571882040.db2.gz KIDKBOMOGYOKKP-MRVPVSSYSA-N 0 0 155.241 2.351 10 30 AEEERN CC(=O)C1=C(C)O[C@H]2C=CCC[C@@H]12 39074622 571882074 /nfs/dbraw/zinc/88/20/74/571882074.db2.gz SIJFVZUHFKSSKW-ZJUUUORDSA-N 0 0 178.231 2.214 10 30 AEEERN CCO[C@H](C)[C@@H](O)CC#CC(C)(C)C 300757405 571882186 /nfs/dbraw/zinc/88/21/86/571882186.db2.gz MXVMLKCVEWFKTJ-MNOVXSKESA-N 0 0 198.306 2.212 10 30 AEEERN CC(C)C[C@](C)(C#N)O[C@@H](C)[C@H](C)O 300027310 571882187 /nfs/dbraw/zinc/88/21/87/571882187.db2.gz BQGKVUYWLRALTH-GARJFASQSA-N 0 0 199.294 2.101 10 30 AEEERN C#CCCC[C@@H](CCC(C)(C)C)NN 300756035 571882191 /nfs/dbraw/zinc/88/21/91/571882191.db2.gz UNONQNDWTIJLCS-NSHDSACASA-N 0 0 196.338 2.448 10 30 AEEERN C=C(C)C[C@@H](O)[C@H](C)CSC 300755974 571882403 /nfs/dbraw/zinc/88/24/03/571882403.db2.gz JVUJYFPXHFMTCU-RKDXNWHRSA-N 0 0 174.309 2.313 10 30 AEEERN N#C[C@H](CO)CCC1CCCC1 300756194 571882418 /nfs/dbraw/zinc/88/24/18/571882418.db2.gz MPKFLTSDLFWOSD-SNVBAGLBSA-N 0 0 167.252 2.089 10 30 AEEERN CCC[C@H](C)[C@H](C#N)O[C@H](C)[C@@H](C)O 300027304 571883088 /nfs/dbraw/zinc/88/30/88/571883088.db2.gz BPEAWBQPTJTVHD-ZDCRXTMVSA-N 0 0 199.294 2.101 10 30 AEEERN CC[C@](C#N)(O[C@H](C)[C@H](C)O)C(C)C 300031649 571882550 /nfs/dbraw/zinc/88/25/50/571882550.db2.gz NVOZCBQSDFELQR-HBNTYKKESA-N 0 0 199.294 2.101 10 30 AEEERN CC(C)(C)C#CC[C@H](CC1CC1)NN 300755354 571882618 /nfs/dbraw/zinc/88/26/18/571882618.db2.gz MHURBCHOAZDTKJ-LLVKDONJSA-N 0 0 194.322 2.058 10 30 AEEERN N#C[C@H]1NCCCC12CCCCC2 39074631 571882593 /nfs/dbraw/zinc/88/25/93/571882593.db2.gz UCRDMIBPTIWBQY-SNVBAGLBSA-N 0 0 178.279 2.212 10 30 AEEERN CCC(CC)CO[C@@H](C)C#N 300756864 571882667 /nfs/dbraw/zinc/88/26/67/571882667.db2.gz KIDKBOMOGYOKKP-QMMMGPOBSA-N 0 0 155.241 2.351 10 30 AEEERN C#CCCC[C@H](CCC(C)(C)C)NN 300756034 571882765 /nfs/dbraw/zinc/88/27/65/571882765.db2.gz UNONQNDWTIJLCS-LLVKDONJSA-N 0 0 196.338 2.448 10 30 AEEERN CCC(CC)[C@H](C#N)O[C@@H](C)[C@H](C)O 300030375 571882927 /nfs/dbraw/zinc/88/29/27/571882927.db2.gz KLMRWZOXQJODHK-QXEWZRGKSA-N 0 0 199.294 2.101 10 30 AEEERN CC[C@H](C)[C@](C)(C#N)O[C@@H](C)[C@H](C)O 300032590 571883007 /nfs/dbraw/zinc/88/30/07/571883007.db2.gz QJJFGJJTFIJVFA-NAKRPEOUSA-N 0 0 199.294 2.101 10 30 AEEERN CC[C@](C#N)(O[C@@H](C)[C@H](C)O)C(C)C 300031647 571883054 /nfs/dbraw/zinc/88/30/54/571883054.db2.gz NVOZCBQSDFELQR-GARJFASQSA-N 0 0 199.294 2.101 10 30 AEEERN CCCCN1C=CC=C[C@@H]1S 39082805 571883066 /nfs/dbraw/zinc/88/30/66/571883066.db2.gz PECMLZRDAWTPKG-VIFPVBQESA-N 0 0 169.293 2.428 10 30 AEEERN C=CC(F)(F)[C@@H](O)C(C)(C)C 17432767 571883158 /nfs/dbraw/zinc/88/31/58/571883158.db2.gz RSHNTWJIVLJXPO-LURJTMIESA-N 0 0 164.195 2.215 10 30 AEEERN CC(C)C[C@](C)(C#N)O[C@H](C)[C@H](C)O 300027311 571883163 /nfs/dbraw/zinc/88/31/63/571883163.db2.gz BQGKVUYWLRALTH-HBNTYKKESA-N 0 0 199.294 2.101 10 30 AEEERN CC(C)(C)C#CC[C@@H](CC1CC1)NN 300755356 571883192 /nfs/dbraw/zinc/88/31/92/571883192.db2.gz MHURBCHOAZDTKJ-NSHDSACASA-N 0 0 194.322 2.058 10 30 AEEERN CCO[C@@H]1CC2=C(CCCC2)C1=O 39090068 571884378 /nfs/dbraw/zinc/88/43/78/571884378.db2.gz LTAYTTLOJLPYJV-SNVBAGLBSA-N 0 0 180.247 2.235 10 30 AEEERN CCC[C@H](C)[C@H](C#N)O[C@@H](C)[C@H](C)O 300027303 571883577 /nfs/dbraw/zinc/88/35/77/571883577.db2.gz BPEAWBQPTJTVHD-NAKRPEOUSA-N 0 0 199.294 2.101 10 30 AEEERN CC(C)C1(F)C=CC(=O)C=C1 39088583 571883586 /nfs/dbraw/zinc/88/35/86/571883586.db2.gz OAFFAVIHFKYEHC-UHFFFAOYSA-N 0 0 154.184 2.046 10 30 AEEERN C=C(C)[C@@H](O)C(C)(C)C(F)F 17481138 571883590 /nfs/dbraw/zinc/88/35/90/571883590.db2.gz ZUBZRXFSPQNUFQ-ZCFIWIBFSA-N 0 0 164.195 2.215 10 30 AEEERN C=C(C)C[C@@H](NN)C12CCC(CC1)C2 711072034 571883652 /nfs/dbraw/zinc/88/36/52/571883652.db2.gz LBYLJDDKOOUDNJ-MOENNCHZSA-N 0 0 194.322 2.365 10 30 AEEERN C=C(C)C[C@H](O)[C@H](C)CSC 300755971 571883653 /nfs/dbraw/zinc/88/36/53/571883653.db2.gz JVUJYFPXHFMTCU-BDAKNGLRSA-N 0 0 174.309 2.313 10 30 AEEERN CCCCC[C@H](C#N)O[C@H](C)[C@H](C)O 300031597 571883662 /nfs/dbraw/zinc/88/36/62/571883662.db2.gz NQVAMRWVUPOFBW-HBNTYKKESA-N 0 0 199.294 2.245 10 30 AEEERN CC1=CC(=O)C=C(C)C1(C)F 39088582 571883948 /nfs/dbraw/zinc/88/39/48/571883948.db2.gz BUBJPXXDJSEJLX-UHFFFAOYSA-N 0 0 154.184 2.190 10 30 AEEERN C[C@H](O)[C@@H](C)O[C@H](C#N)CC(C)(C)C 300030037 571884182 /nfs/dbraw/zinc/88/41/82/571884182.db2.gz JSSGJFIWYFXXHK-AEJSXWLSSA-N 0 0 199.294 2.101 10 30 AEEERN CCON(CC)[C@H]1CCCC[C@@H]1C#N 401222862 571886541 /nfs/dbraw/zinc/88/65/41/571886541.db2.gz JBDDLBWVZIKCOR-MNOVXSKESA-N 0 0 196.294 2.342 10 30 AEEERN CC(C)CCOCCCCC=O 70738984 571884812 /nfs/dbraw/zinc/88/48/12/571884812.db2.gz JOSFFJAPUCHIQN-UHFFFAOYSA-N 0 0 172.268 2.418 10 30 AEEERN C[C@@H](CC(F)F)C[C@@](C)(O)CC=O 687875597 571884977 /nfs/dbraw/zinc/88/49/77/571884977.db2.gz DSXIQBCQITVUNE-CBAPKCEASA-N 0 0 194.221 2.008 10 30 AEEERN COC[C@H](C)C(=O)C1=CCCCC1 686226288 571885424 /nfs/dbraw/zinc/88/54/24/571885424.db2.gz UBJZPWUEQDVXNZ-VIFPVBQESA-N 0 0 182.263 2.338 10 30 AEEERN CC(C)C1=CC(=O)[C@](C)(F)C1 39103454 571886604 /nfs/dbraw/zinc/88/66/04/571886604.db2.gz CPRGNWGGUMVJLL-SECBINFHSA-N 0 0 156.200 2.270 10 30 AEEERN C[C@H](CC(F)F)C[C@@](C)(O)CC=O 687875401 571885574 /nfs/dbraw/zinc/88/55/74/571885574.db2.gz DSXIQBCQITVUNE-APPZFPTMSA-N 0 0 194.221 2.008 10 30 AEEERN CC(C)c1ccc(/C=N\O)o1 39103176 571887008 /nfs/dbraw/zinc/88/70/08/571887008.db2.gz PPMCBXGWOPGGGF-UITAMQMPSA-N 0 0 153.181 2.211 10 30 AEEERN C=CC(F)(F)C(=O)C(C)(C)C 17434668 571885985 /nfs/dbraw/zinc/88/59/85/571885985.db2.gz MJBSTCNQPRLYRB-UHFFFAOYSA-N 0 0 162.179 2.423 10 30 AEEERN CCCCN1C=CC=C[C@H]1S 39082807 571886038 /nfs/dbraw/zinc/88/60/38/571886038.db2.gz PECMLZRDAWTPKG-SECBINFHSA-N 0 0 169.293 2.428 10 30 AEEERN C[C@@H](C#N)N1CCC[C@@H](C)CC1 82489332 571886142 /nfs/dbraw/zinc/88/61/42/571886142.db2.gz WTJCZZWLNIDTQQ-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H](CC(F)F)C[C@](C)(O)CC=O 687875599 571886153 /nfs/dbraw/zinc/88/61/53/571886153.db2.gz DSXIQBCQITVUNE-VXNVDRBHSA-N 0 0 194.221 2.008 10 30 AEEERN CC(C)[C@H]1C=CC(=O)C[C@H]1C 39103106 571887064 /nfs/dbraw/zinc/88/70/64/571887064.db2.gz XQTVBJNIDHXCNX-PSASIEDQSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H]1CCCN([C@@H](C)C#N)CC1 82489334 571886509 /nfs/dbraw/zinc/88/65/09/571886509.db2.gz WTJCZZWLNIDTQQ-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)=C1CC(C)=C(C)C1=O 39102990 571887077 /nfs/dbraw/zinc/88/70/77/571887077.db2.gz WJBRZAYODUSEMK-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)OCC(=O)CC#CC(C)(C)C 300756415 571886660 /nfs/dbraw/zinc/88/66/60/571886660.db2.gz MSDDXTFWXDNZJO-UHFFFAOYSA-N 0 0 196.290 2.420 10 30 AEEERN CC(C)C1=CC=CCCC1=O 39103004 571886709 /nfs/dbraw/zinc/88/67/09/571886709.db2.gz AIXGSAHXVFQRIN-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@@H](CC(F)F)C[C@](C)(O)CC=O 687875598 571886758 /nfs/dbraw/zinc/88/67/58/571886758.db2.gz DSXIQBCQITVUNE-IONNQARKSA-N 0 0 194.221 2.008 10 30 AEEERN CC(C)[C@@H]1C=CC(=O)C[C@@H]1C 39103108 571886785 /nfs/dbraw/zinc/88/67/85/571886785.db2.gz XQTVBJNIDHXCNX-WPRPVWTQSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)C1=CC(=O)C=CCC1 39103022 571886841 /nfs/dbraw/zinc/88/68/41/571886841.db2.gz FGGQMJFPPGGCHL-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CCCCCC#C[C@@H](O)[C@@H]1CS1 34596815 571887038 /nfs/dbraw/zinc/88/70/38/571887038.db2.gz MEOASFFBFLIUKB-ZJUUUORDSA-N 0 0 184.304 2.046 10 30 AEEERN CC(C)[C@H]1C=CC(=O)C[C@@H]1C 39103107 571887187 /nfs/dbraw/zinc/88/71/87/571887187.db2.gz XQTVBJNIDHXCNX-WCBMZHEXSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)[C@H](C#N)NCc1ccccc1 39092943 571887243 /nfs/dbraw/zinc/88/72/43/571887243.db2.gz LGTOBEWAPVXGPK-LBPRGKRZSA-N 0 0 188.274 2.324 10 30 AEEERN CC(C)[C@@H]1C=CC(=O)C=CC1 39103021 571887577 /nfs/dbraw/zinc/88/75/77/571887577.db2.gz MOYKOXVLQBBVKJ-VIFPVBQESA-N 0 0 150.221 2.344 10 30 AEEERN CC(C)[C@@H]1C(C)(C)C1(C#N)C#N 39103828 571887595 /nfs/dbraw/zinc/88/75/95/571887595.db2.gz IAAVWSANUBRIBV-MRVPVSSYSA-N 0 0 162.236 2.332 10 30 AEEERN COC[C@@H](C)C(=O)C1=CCCCC1 686226284 571887890 /nfs/dbraw/zinc/88/78/90/571887890.db2.gz UBJZPWUEQDVXNZ-SECBINFHSA-N 0 0 182.263 2.338 10 30 AEEERN CCON(CC)[C@@H]1CCCC[C@@H]1C#N 401222858 571888010 /nfs/dbraw/zinc/88/80/10/571888010.db2.gz JBDDLBWVZIKCOR-GHMZBOCLSA-N 0 0 196.294 2.342 10 30 AEEERN C=CC(C)(C)[C@H](CO)C(=C)C 17581207 571888035 /nfs/dbraw/zinc/88/80/35/571888035.db2.gz RVAUSKMBHSAUGT-SECBINFHSA-N 0 0 154.253 2.383 10 30 AEEERN C=CC(=O)C[C@H](/C=C/C)OCC 34599209 571888158 /nfs/dbraw/zinc/88/81/58/571888158.db2.gz MUPYYENKZDPYKE-QBBOHKLWSA-N 0 0 168.236 2.113 10 30 AEEERN CC(C)[C@H]1C=CC(=O)C=CC1 39103020 571888288 /nfs/dbraw/zinc/88/82/88/571888288.db2.gz MOYKOXVLQBBVKJ-SECBINFHSA-N 0 0 150.221 2.344 10 30 AEEERN C=CC(=O)CCCC#CC(=C)C 34599150 571888397 /nfs/dbraw/zinc/88/83/97/571888397.db2.gz KYRRJQLOBAPANU-UHFFFAOYSA-N 0 0 162.232 2.491 10 30 AEEERN CCON(CC)[C@H]1CCCC[C@H]1C#N 401222863 571888417 /nfs/dbraw/zinc/88/84/17/571888417.db2.gz JBDDLBWVZIKCOR-QWRGUYRKSA-N 0 0 196.294 2.342 10 30 AEEERN C#C[C@@H](O)[C@@H](C)CCC=C(C)C 34599183 571888439 /nfs/dbraw/zinc/88/84/39/571888439.db2.gz ILQPUDXOHIWXJY-WDEREUQCSA-N 0 0 166.264 2.363 10 30 AEEERN C=C1CC(C(C)C)=C(C)C1=O 39103002 571888477 /nfs/dbraw/zinc/88/84/77/571888477.db2.gz HPFXJIUHJKTTLB-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@]12CCCC=C1C(=O)CC2 39111451 571888732 /nfs/dbraw/zinc/88/87/32/571888732.db2.gz KXSNHTBGNIRZKG-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN CC[C@@H]1Nc2ccccc2N=C1C#N 100283699 571888770 /nfs/dbraw/zinc/88/87/70/571888770.db2.gz CHMVLGHCAGRCQR-QMMMGPOBSA-N 0 0 185.230 2.487 10 30 AEEERN CCC1(CC)CCN([C@@H](C)C#N)C1 87254247 571888789 /nfs/dbraw/zinc/88/87/89/571888789.db2.gz CTBOQGJFZWQUBU-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC1=CC(=O)C=C[C@@]1(F)C(C)C 39104282 571888791 /nfs/dbraw/zinc/88/87/91/571888791.db2.gz BUMRSWFFQYGAHD-SNVBAGLBSA-N 0 0 168.211 2.436 10 30 AEEERN C#CC[C@@H](O)c1cc(Cl)ccc1O 139101722 571888797 /nfs/dbraw/zinc/88/87/97/571888797.db2.gz ATDZOJSTDUCJDZ-SECBINFHSA-N 0 0 196.633 2.102 10 30 AEEERN CC1C(=O)C(=O)[C@]2(C(C)C)C[C@H]12 39104067 571888841 /nfs/dbraw/zinc/88/88/41/571888841.db2.gz BQLGTGPKWAIGFH-XCBNKYQSSA-N 0 0 166.220 2.063 10 30 AEEERN C#C[C@@H](O)[C@H](C)CCC=C(C)C 34599184 571888910 /nfs/dbraw/zinc/88/89/10/571888910.db2.gz ILQPUDXOHIWXJY-GHMZBOCLSA-N 0 0 166.264 2.363 10 30 AEEERN C[C@@]12CCCC1=CC(=O)CCC2=O 196386607 571888937 /nfs/dbraw/zinc/88/89/37/571888937.db2.gz RIHDCHUZGULGDD-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN CC1=CC(=O)C=C[C@]1(F)C(C)C 39104281 571889129 /nfs/dbraw/zinc/88/91/29/571889129.db2.gz BUMRSWFFQYGAHD-JTQLQIEISA-N 0 0 168.211 2.436 10 30 AEEERN CC(C)[C@H]1CCC[C@H](C#N)C1=O 39104024 571889232 /nfs/dbraw/zinc/88/92/32/571889232.db2.gz QEZPSBXATFTLIR-RKDXNWHRSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)[C@@H]1CCC[C@H](C#N)C1=O 39104023 571889329 /nfs/dbraw/zinc/88/93/29/571889329.db2.gz QEZPSBXATFTLIR-BDAKNGLRSA-N 0 0 165.236 2.151 10 30 AEEERN CC1=C2CCC[C@@]2(C#N)CCC1=O 39111427 571889415 /nfs/dbraw/zinc/88/94/15/571889415.db2.gz GGVGHOBBKHJREV-NSHDSACASA-N 0 0 175.231 2.360 10 30 AEEERN C=C(C)C[C@](C)(CC=O)C(C)=O 34599216 571889392 /nfs/dbraw/zinc/88/93/92/571889392.db2.gz WHHGBFCPMWGOEI-JTQLQIEISA-N 0 0 168.236 2.137 10 30 AEEERN C[C@H]1CC=C2C(=O)CCC[C@H]21 39111477 571889439 /nfs/dbraw/zinc/88/94/39/571889439.db2.gz NTFAZCJJBHAKFY-YUMQZZPRSA-N 0 0 150.221 2.322 10 30 AEEERN CCC1(CC)CCN([C@H](C)C#N)C1 87254249 571889470 /nfs/dbraw/zinc/88/94/70/571889470.db2.gz CTBOQGJFZWQUBU-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CCCCC[C@H](O)[C@]1(C)O[C@@H]1C 34599286 571889727 /nfs/dbraw/zinc/88/97/27/571889727.db2.gz AWHCZUOFWVADJS-KXUCPTDWSA-N 0 0 172.268 2.105 10 30 AEEERN C[C@]12CCCC1=CC(=O)CCC2=O 196386617 571889728 /nfs/dbraw/zinc/88/97/28/571889728.db2.gz RIHDCHUZGULGDD-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN CC1=C2CCC[C@]2(C#N)CCC1=O 39111426 571889785 /nfs/dbraw/zinc/88/97/85/571889785.db2.gz GGVGHOBBKHJREV-LLVKDONJSA-N 0 0 175.231 2.360 10 30 AEEERN CC(C)[C@H]1CCC[C@@H](C#N)C1=O 39104026 571889819 /nfs/dbraw/zinc/88/98/19/571889819.db2.gz QEZPSBXATFTLIR-DTWKUNHWSA-N 0 0 165.236 2.151 10 30 AEEERN C=C(C)[C@@]1(C)CC(C)=CC1=O 196382658 571889832 /nfs/dbraw/zinc/88/98/32/571889832.db2.gz OIBTYPLMFAUNSO-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C/C1=N/N 39104264 571889972 /nfs/dbraw/zinc/88/99/72/571889972.db2.gz VRHGLODXIVTURM-MXDSCLMRSA-N 0 0 168.284 2.393 10 30 AEEERN CC1C(=O)C(=O)[C@@]2(C(C)C)C[C@@H]12 39104068 571889995 /nfs/dbraw/zinc/88/99/95/571889995.db2.gz BQLGTGPKWAIGFH-OIBJUYFYSA-N 0 0 166.220 2.063 10 30 AEEERN C[C@@H]1CCC[C@H]1OCCS 39111732 571890120 /nfs/dbraw/zinc/89/01/20/571890120.db2.gz OEEWVNGYXGOCLI-HTQZYQBOSA-N 0 0 160.282 2.121 10 30 AEEERN C[C@H]1CC(=O)C2=CCC[C@H]2C1 39111467 571890181 /nfs/dbraw/zinc/89/01/81/571890181.db2.gz QXWBRNRPZOJQAE-SFYZADRCSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)CCC[C@@H]1O[C@H]1C(C)C 34599246 571890199 /nfs/dbraw/zinc/89/01/99/571890199.db2.gz IRCRWGGUBXMAJG-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN C=CCc1c(OC)ccc2c1CCO2 196387447 571890293 /nfs/dbraw/zinc/89/02/93/571890293.db2.gz DXZTYCCPDRPXMI-UHFFFAOYSA-N 0 0 190.242 2.359 10 30 AEEERN c1ccc([C@@H]2C[C@H]2[C@@H]2CO2)cc1 196390474 571890326 /nfs/dbraw/zinc/89/03/26/571890326.db2.gz KJGQIAHPLNCDEK-AXFHLTTASA-N 0 0 160.216 2.189 10 30 AEEERN CCC/N=C/C(=O)c1ccccc1 34599320 571890360 /nfs/dbraw/zinc/89/03/60/571890360.db2.gz KXQZZNONLJDQDN-FMIVXFBMSA-N 0 0 175.231 2.350 10 30 AEEERN C=C(C)[C@H](NC)C(F)(F)CC 17576014 571890431 /nfs/dbraw/zinc/89/04/31/571890431.db2.gz WQSPIUNBJXWTNJ-ZETCQYMHSA-N 0 0 163.211 2.196 10 30 AEEERN C[C@@]12CCCC=C1C(=O)CC2 39111466 571890511 /nfs/dbraw/zinc/89/05/11/571890511.db2.gz KXSNHTBGNIRZKG-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN CCCCC[C@]12O[C@H]1CCC2=O 34599206 571890338 /nfs/dbraw/zinc/89/03/38/571890338.db2.gz RGSGNYHHKKWKEB-VHSXEESVSA-N 0 0 168.236 2.067 10 30 AEEERN C=C(C)[C@]1(C)CC(C)=CC1=O 196382672 571890683 /nfs/dbraw/zinc/89/06/83/571890683.db2.gz OIBTYPLMFAUNSO-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)C1=CC(=S)C(=O)C=C1 39104074 571890820 /nfs/dbraw/zinc/89/08/20/571890820.db2.gz FGLYQPPYSCFFME-UHFFFAOYSA-N 0 0 166.245 2.078 10 30 AEEERN CC(C)[C@@H]1CCC[C@@H](C#N)C1=O 39104025 571890899 /nfs/dbraw/zinc/89/08/99/571890899.db2.gz QEZPSBXATFTLIR-IUCAKERBSA-N 0 0 165.236 2.151 10 30 AEEERN c1ccc([C@@H]2C[C@@H]2[C@@H]2CO2)cc1 196390459 571891066 /nfs/dbraw/zinc/89/10/66/571891066.db2.gz KJGQIAHPLNCDEK-DCAQKATOSA-N 0 0 160.216 2.189 10 30 AEEERN CC(C)(O)C1=C2CCCC[C@H]2CC1=O 39112394 571891233 /nfs/dbraw/zinc/89/12/33/571891233.db2.gz ZQLFYQZNCSJYSX-QMMMGPOBSA-N 0 0 194.274 2.217 10 30 AEEERN Cc1noc(N=[N+]=[N-])c1C 39115729 571891240 /nfs/dbraw/zinc/89/12/40/571891240.db2.gz OTWOKVXAUVHUDA-UHFFFAOYSA-N 0 0 138.130 2.233 10 30 AEEERN C[C@H]1C(=O)C=CO[C@H]1c1ccco1 39116728 571891394 /nfs/dbraw/zinc/89/13/94/571891394.db2.gz DFAKKALROKIROY-OIBJUYFYSA-N 0 0 178.187 2.070 10 30 AEEERN C=C(C)[C@H]1O[C@H]1/C=C\Br 687727682 571891485 /nfs/dbraw/zinc/89/14/85/571891485.db2.gz ZEOSKUHOFQPEKP-QUVJZYQGSA-N 0 0 189.052 2.239 10 30 AEEERN C=C(CC)[C@H](O)c1cccnc1 139149628 571891665 /nfs/dbraw/zinc/89/16/65/571891665.db2.gz WNKPWOYLNVZRAA-JTQLQIEISA-N 0 0 163.220 2.081 10 30 AEEERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(O)CC#N 39112311 571891929 /nfs/dbraw/zinc/89/19/29/571891929.db2.gz GZZUHNFXWZTLCG-MVWJERBFSA-N 0 0 193.290 2.477 10 30 AEEERN C#CC[C@H](O)c1cc(Cl)ccc1O 139101580 571892024 /nfs/dbraw/zinc/89/20/24/571892024.db2.gz ATDZOJSTDUCJDZ-VIFPVBQESA-N 0 0 196.633 2.102 10 30 AEEERN SC/C=C\CSc1ncccn1 211718565 571896276 /nfs/dbraw/zinc/89/62/76/571896276.db2.gz WNJQCZSZDHISCS-UPHRSURJSA-N 0 0 198.316 2.055 10 30 AEEERN COc1cc(OC)cc([C@@H](F)C#N)c1 139170692 571892621 /nfs/dbraw/zinc/89/26/21/571892621.db2.gz MYQTWUKWOHHZLE-JTQLQIEISA-N 0 0 195.193 2.238 10 30 AEEERN C=C[C@H](C)[C@H](O)c1ccc(C)o1 139103943 571892679 /nfs/dbraw/zinc/89/26/79/571892679.db2.gz FZBYFOWONBGGLM-XVKPBYJWSA-N 0 0 166.220 2.444 10 30 AEEERN C[C@]1(CC=O)CC[C@H](c2ccoc2)O1 196392727 571892682 /nfs/dbraw/zinc/89/26/82/571892682.db2.gz LRBXSGZGKPEADI-GHMZBOCLSA-N 0 0 194.230 2.479 10 30 AEEERN C[C@H](CCC#N)c1nc(C2CC2)no1 235411594 571892734 /nfs/dbraw/zinc/89/27/34/571892734.db2.gz UVBOOOPSWCOTPO-SSDOTTSWSA-N 0 0 191.234 2.354 10 30 AEEERN CC1(C)C=CC(=O)C(C)(C)S1 196392767 571892747 /nfs/dbraw/zinc/89/27/47/571892747.db2.gz DJUAIMLDSSZREV-UHFFFAOYSA-N 0 0 170.277 2.416 10 30 AEEERN C[C@H](O)CC1=C2CCCC[C@@H]2CC1=O 39112391 571892897 /nfs/dbraw/zinc/89/28/97/571892897.db2.gz SPYHNQMKFMYDFB-DTWKUNHWSA-N 0 0 194.274 2.217 10 30 AEEERN COc1ccc2c(c1)C(=O)C(C)=C2 196395008 571893094 /nfs/dbraw/zinc/89/30/94/571893094.db2.gz KRYCZVJUJXUMLB-UHFFFAOYSA-N 0 0 174.199 2.295 10 30 AEEERN C=C[C@@H](C[C@@H](C)CC(C)(C)C)NN 158424135 571893121 /nfs/dbraw/zinc/89/31/21/571893121.db2.gz LRBMHDLZISPBQF-ZJUUUORDSA-N 0 0 184.327 2.467 10 30 AEEERN C#CC[C@H](c1ccccc1)[C@H](C)CO 34599541 571893170 /nfs/dbraw/zinc/89/31/70/571893170.db2.gz CZZRDJUUMBNKRP-YPMHNXCESA-N 0 0 188.270 2.422 10 30 AEEERN O=C(C#CC1CC1)c1ccccc1 139134261 571893198 /nfs/dbraw/zinc/89/31/98/571893198.db2.gz JQZYQPMJKMPQBC-UHFFFAOYSA-N 0 0 170.211 2.283 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1ccc(C)o1 139103820 571893212 /nfs/dbraw/zinc/89/32/12/571893212.db2.gz FZBYFOWONBGGLM-GMSGAONNSA-N 0 0 166.220 2.444 10 30 AEEERN CN1C=CC(=O)CC12CCCCC2 39116812 571893299 /nfs/dbraw/zinc/89/32/99/571893299.db2.gz FCNFMIULQSKOMS-UHFFFAOYSA-N 0 0 179.263 2.108 10 30 AEEERN C[C@]1(CC=O)CC[C@@H](c2ccoc2)O1 196392735 571893329 /nfs/dbraw/zinc/89/33/29/571893329.db2.gz LRBXSGZGKPEADI-WDEREUQCSA-N 0 0 194.230 2.479 10 30 AEEERN C[C@@]1(CC=O)CC[C@@H](c2ccoc2)O1 196392750 571893340 /nfs/dbraw/zinc/89/33/40/571893340.db2.gz LRBXSGZGKPEADI-QWRGUYRKSA-N 0 0 194.230 2.479 10 30 AEEERN C/C=C\C=C\C1=C(C)[C@H](OC)CC1=O 39112204 571893356 /nfs/dbraw/zinc/89/33/56/571893356.db2.gz YLCJPHIZZJHRKU-ZCRGJKSYSA-N 0 0 192.258 2.423 10 30 AEEERN C=C=C(C)CCCC=O 196392971 571893445 /nfs/dbraw/zinc/89/34/45/571893445.db2.gz RRRPLMFSILULIR-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN CC1=CC(F)(F)C=C(Cl)C1=O 39128229 571898470 /nfs/dbraw/zinc/89/84/70/571898470.db2.gz IMMOMBFESQPDBD-UHFFFAOYSA-N 0 0 178.565 2.273 10 30 AEEERN N#Cc1ccc([C@@H]2C=CCC2)nc1 39116412 571893516 /nfs/dbraw/zinc/89/35/16/571893516.db2.gz CRQJHPNDVVPYCC-SNVBAGLBSA-N 0 0 170.215 2.387 10 30 AEEERN O=CCC/C=C\C=C\Cl 39115850 571893597 /nfs/dbraw/zinc/89/35/97/571893597.db2.gz IMAGTRZXYNWGQL-GEZXTYQDSA-N 0 0 144.601 2.274 10 30 AEEERN SC/C=C\CSc1ccncn1 211713482 571893652 /nfs/dbraw/zinc/89/36/52/571893652.db2.gz NWMTWFQDNPODOZ-UPHRSURJSA-N 0 0 198.316 2.055 10 30 AEEERN CCCC1=C(OC)CCCC1=O 39119229 571894224 /nfs/dbraw/zinc/89/42/24/571894224.db2.gz XOOLCAKCWLWSQD-UHFFFAOYSA-N 0 0 168.236 2.440 10 30 AEEERN Cc1cc(C(C)(C)C)nc(N)c1C#N 39117164 571895115 /nfs/dbraw/zinc/89/51/15/571895115.db2.gz XCGVKXGZTPZSMF-UHFFFAOYSA-N 0 0 189.262 2.141 10 30 AEEERN [N-]=[N+]=Nc1ccc2ccc(N)nc2n1 39123980 571895317 /nfs/dbraw/zinc/89/53/17/571895317.db2.gz SUCAJSZLNDOHGA-UHFFFAOYSA-N 0 0 186.178 2.154 10 30 AEEERN S=C1CCCCCN1CS 39124647 571896443 /nfs/dbraw/zinc/89/64/43/571896443.db2.gz AUBSGKATMCARFL-UHFFFAOYSA-N 0 0 175.322 2.077 10 30 AEEERN CC(=O)C(Br)=C(C)C 39128160 571896743 /nfs/dbraw/zinc/89/67/43/571896743.db2.gz LEYKYYVBHICJPQ-UHFFFAOYSA-N 0 0 177.041 2.264 10 30 AEEERN CC1=CC[C@]2(CC1)O[C@H]2C 39131946 571896832 /nfs/dbraw/zinc/89/68/32/571896832.db2.gz WBMQKLJSBXWZTH-DTWKUNHWSA-N 0 0 138.210 2.274 10 30 AEEERN CCC(=O)/C(F)=C(/F)Cl 39125618 571896899 /nfs/dbraw/zinc/89/68/99/571896899.db2.gz KIZLOHQWELUVSI-PLNGDYQASA-N 0 0 154.543 2.312 10 30 AEEERN CC[C@@]12CCCCC[C@H]1O2 39132274 571896921 /nfs/dbraw/zinc/89/69/21/571896921.db2.gz CMDPAMLEPYNJDL-RKDXNWHRSA-N 0 0 140.226 2.498 10 30 AEEERN CC1=C(C)C(=O)[C@@](C)(Cl)C1 39125578 571896988 /nfs/dbraw/zinc/89/69/88/571896988.db2.gz ZULBKMNRAUCHEZ-QMMMGPOBSA-N 0 0 158.628 2.293 10 30 AEEERN CC[C@@]12CCCCC[C@@H]1O2 39132272 571897024 /nfs/dbraw/zinc/89/70/24/571897024.db2.gz CMDPAMLEPYNJDL-DTWKUNHWSA-N 0 0 140.226 2.498 10 30 AEEERN C[C@@H]1O[C@@]12CCC[C@@H](C)C2 39132268 571897082 /nfs/dbraw/zinc/89/70/82/571897082.db2.gz IDYATXSKXLOSQQ-HRDYMLBCSA-N 0 0 140.226 2.354 10 30 AEEERN C=C1C=C(Cl)C=C(Cl)C1=O 39128406 571897123 /nfs/dbraw/zinc/89/71/23/571897123.db2.gz YTIJZSYMKBXXHG-UHFFFAOYSA-N 0 0 175.014 2.371 10 30 AEEERN CC(C)[C@]12CC=CC[C@H]1O2 39132279 571897100 /nfs/dbraw/zinc/89/71/00/571897100.db2.gz LEPXEGAKSCQGJZ-RKDXNWHRSA-N 0 0 138.210 2.130 10 30 AEEERN C[C@]12CCCC[C@@]1(Cl)O2 39132313 571897224 /nfs/dbraw/zinc/89/72/24/571897224.db2.gz SORXZBNOYACXHX-NKWVEPMBSA-N 0 0 146.617 2.284 10 30 AEEERN CC(C)[C@H]1C=CC(=O)[C@H](F)C1 39125551 571897324 /nfs/dbraw/zinc/89/73/24/571897324.db2.gz VAOZFSMQDRIEDQ-JGVFFNPUSA-N 0 0 156.200 2.126 10 30 AEEERN CC(C)=C[C@]1(C)O[C@@H]1C 39132297 571897357 /nfs/dbraw/zinc/89/73/57/571897357.db2.gz MQSYSHVLGWSURY-SFYZADRCSA-N 0 0 126.199 2.130 10 30 AEEERN CC1=C(C)C(=O)[C@](C)(Cl)C1 39125579 571897409 /nfs/dbraw/zinc/89/74/09/571897409.db2.gz ZULBKMNRAUCHEZ-MRVPVSSYSA-N 0 0 158.628 2.293 10 30 AEEERN CC(C)[C@@]12CC=CC[C@@H]1O2 39132278 571897448 /nfs/dbraw/zinc/89/74/48/571897448.db2.gz LEPXEGAKSCQGJZ-IUCAKERBSA-N 0 0 138.210 2.130 10 30 AEEERN CC[C@]12CCCCC[C@@H]1O2 39132273 571897493 /nfs/dbraw/zinc/89/74/93/571897493.db2.gz CMDPAMLEPYNJDL-IUCAKERBSA-N 0 0 140.226 2.498 10 30 AEEERN CCC[C@@H](O)[C@H](C)C(=O)/C=C\Cl 687727322 571897502 /nfs/dbraw/zinc/89/75/02/571897502.db2.gz TZPRQAQBHNCGNY-HFFNOEQQSA-N 0 0 190.670 2.105 10 30 AEEERN CCCC(=O)C(F)=C(F)F 39125455 571897513 /nfs/dbraw/zinc/89/75/13/571897513.db2.gz YOQVITIRRBCCFL-UHFFFAOYSA-N 0 0 152.115 2.433 10 30 AEEERN C=C[C@@H]([NH2+]CCCCC(C)C)C(=O)[O-] 301050790 571897612 /nfs/dbraw/zinc/89/76/12/571897612.db2.gz STEXUPZBEBYYMJ-SNVBAGLBSA-N 0 0 199.294 2.042 10 30 AEEERN CC1=C(Cl)C(=O)C[C@H](C)C1 39125402 571897603 /nfs/dbraw/zinc/89/76/03/571897603.db2.gz ZLHLDAXIJHBFGH-RXMQYKEDSA-N 0 0 158.628 2.498 10 30 AEEERN CC(C)[C@@H]1C=CC(=O)[C@@H](F)C1 39125550 571897686 /nfs/dbraw/zinc/89/76/86/571897686.db2.gz VAOZFSMQDRIEDQ-SFYZADRCSA-N 0 0 156.200 2.126 10 30 AEEERN CC1(C)CC[C@H]2O[C@@]2(C)C1 39132319 571897736 /nfs/dbraw/zinc/89/77/36/571897736.db2.gz HVYBXQIPAWXRFG-APPZFPTMSA-N 0 0 140.226 2.354 10 30 AEEERN C[C@@]12CCCC[C@]1(Cl)O2 39132312 571897827 /nfs/dbraw/zinc/89/78/27/571897827.db2.gz SORXZBNOYACXHX-RQJHMYQMSA-N 0 0 146.617 2.284 10 30 AEEERN C=C[C@H]1O[C@@]1(C)CC(C)C 39131794 571897862 /nfs/dbraw/zinc/89/78/62/571897862.db2.gz UHMKXOCMDJPRTG-BDAKNGLRSA-N 0 0 140.226 2.376 10 30 AEEERN CC1(C)C=CC(=O)[C@@](C)(F)C1 39125413 571897912 /nfs/dbraw/zinc/89/79/12/571897912.db2.gz REKBGLUICZLGLV-VIFPVBQESA-N 0 0 156.200 2.270 10 30 AEEERN CC(C)=C[C@@]1(C)O[C@H]1C 39132296 571897913 /nfs/dbraw/zinc/89/79/13/571897913.db2.gz MQSYSHVLGWSURY-JGVFFNPUSA-N 0 0 126.199 2.130 10 30 AEEERN CC[C@]12CCCCC[C@H]1O2 39132275 571897927 /nfs/dbraw/zinc/89/79/27/571897927.db2.gz CMDPAMLEPYNJDL-BDAKNGLRSA-N 0 0 140.226 2.498 10 30 AEEERN C=C(Br)C(=O)C=CC 39128045 571897981 /nfs/dbraw/zinc/89/79/81/571897981.db2.gz QWWFYWLGFGAMOD-UHFFFAOYSA-N 0 0 175.025 2.040 10 30 AEEERN CC(C)[C@H]1C=CC(=O)[C@@H](F)C1 39125549 571898016 /nfs/dbraw/zinc/89/80/16/571898016.db2.gz VAOZFSMQDRIEDQ-YUMQZZPRSA-N 0 0 156.200 2.126 10 30 AEEERN CC1=CC[C@]2(CC1)O[C@@H]2C 39131945 571898095 /nfs/dbraw/zinc/89/80/95/571898095.db2.gz WBMQKLJSBXWZTH-RKDXNWHRSA-N 0 0 138.210 2.274 10 30 AEEERN CC1(C)CC[C@@H]2O[C@]2(C)C1 39132318 571898106 /nfs/dbraw/zinc/89/81/06/571898106.db2.gz HVYBXQIPAWXRFG-IONNQARKSA-N 0 0 140.226 2.354 10 30 AEEERN O=C1C(Cl)=C[C@H]2CC[C@@H]1C2 39125558 571898109 /nfs/dbraw/zinc/89/81/09/571898109.db2.gz CDPIEYVGXMIULK-NTSWFWBYSA-N 0 0 156.612 2.108 10 30 AEEERN C=C[C@H]([NH2+]CCCCC(C)C)C(=O)[O-] 301050789 571898129 /nfs/dbraw/zinc/89/81/29/571898129.db2.gz STEXUPZBEBYYMJ-JTQLQIEISA-N 0 0 199.294 2.042 10 30 AEEERN CCCCN(O)C=Nc1ccccc1 687727756 571898181 /nfs/dbraw/zinc/89/81/81/571898181.db2.gz UYQNKDCKGKJBJQ-RAXLEYEMSA-N 0 0 192.262 2.437 10 30 AEEERN CC1=CC(=O)C(Cl)=CCC1 39125516 571898192 /nfs/dbraw/zinc/89/81/92/571898192.db2.gz DTLHLAPMOIOHQQ-UHFFFAOYSA-N 0 0 156.612 2.418 10 30 AEEERN C[C@@H]1O[C@]12CCCC[C@H]2C 39132305 571898261 /nfs/dbraw/zinc/89/82/61/571898261.db2.gz ZNCBSKPVAIPBRN-VGMNWLOBSA-N 0 0 140.226 2.354 10 30 AEEERN CC1(C)C=CC(=O)[C@](C)(F)C1 39125412 571898350 /nfs/dbraw/zinc/89/83/50/571898350.db2.gz REKBGLUICZLGLV-SECBINFHSA-N 0 0 156.200 2.270 10 30 AEEERN C[C@@H]1O[C@]12CCC[C@@H](C)C2 39132270 571898438 /nfs/dbraw/zinc/89/84/38/571898438.db2.gz IDYATXSKXLOSQQ-VGMNWLOBSA-N 0 0 140.226 2.354 10 30 AEEERN N#CC(=O)c1nc2ccccc2s1 100298163 571898439 /nfs/dbraw/zinc/89/84/39/571898439.db2.gz AEGNEAPEMMUCIQ-UHFFFAOYSA-N 0 0 188.211 2.003 10 30 AEEERN CC1(C)CC=C(Cl)C(=O)C1 39125535 571898479 /nfs/dbraw/zinc/89/84/79/571898479.db2.gz YMXWDPCEPFALSL-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN CC(C)[C@@H]1C=CC(=O)[C@H](F)C1 39125552 571898501 /nfs/dbraw/zinc/89/85/01/571898501.db2.gz VAOZFSMQDRIEDQ-HTQZYQBOSA-N 0 0 156.200 2.126 10 30 AEEERN O=C1CC(c2ccccc2)=C1F 39128074 571898519 /nfs/dbraw/zinc/89/85/19/571898519.db2.gz JELNUWNRZIDUTN-UHFFFAOYSA-N 0 0 162.163 2.340 10 30 AEEERN CC(C)=C[C@]1(C)O[C@H]1C 39132298 571898559 /nfs/dbraw/zinc/89/85/59/571898559.db2.gz MQSYSHVLGWSURY-YUMQZZPRSA-N 0 0 126.199 2.130 10 30 AEEERN CC(C)[C@H]1C=C(Cl)C(=O)C1 39125661 571898643 /nfs/dbraw/zinc/89/86/43/571898643.db2.gz XQTXPKQCWVIUCJ-LURJTMIESA-N 0 0 158.628 2.354 10 30 AEEERN CC(=O)/C(Cl)=C\OC(C)C 39128098 571898698 /nfs/dbraw/zinc/89/86/98/571898698.db2.gz QQOVQLWMMZTOOF-QPJJXVBHSA-N 0 0 162.616 2.081 10 30 AEEERN CCO[C@H](C)C(=O)C1=CCCCC1 300063584 571898705 /nfs/dbraw/zinc/89/87/05/571898705.db2.gz WOAIHYOKGDMCFG-SECBINFHSA-N 0 0 182.263 2.481 10 30 AEEERN CC(C)=C[C@@]1(C)O[C@@H]1C 39132295 571898783 /nfs/dbraw/zinc/89/87/83/571898783.db2.gz MQSYSHVLGWSURY-HTQZYQBOSA-N 0 0 126.199 2.130 10 30 AEEERN CC1=C(Cl)C(=O)C[C@@H](C)C1 39125403 571898861 /nfs/dbraw/zinc/89/88/61/571898861.db2.gz ZLHLDAXIJHBFGH-YFKPBYRVSA-N 0 0 158.628 2.498 10 30 AEEERN CCCCN(O)C=Nc1ccccc1 687727755 571898875 /nfs/dbraw/zinc/89/88/75/571898875.db2.gz UYQNKDCKGKJBJQ-JLHYYAGUSA-N 0 0 192.262 2.437 10 30 AEEERN C=CCNC(=O)c1ccccc1C=C 205517776 571898887 /nfs/dbraw/zinc/89/88/87/571898887.db2.gz UYPJITAFHBVTQK-UHFFFAOYSA-N 0 0 187.242 2.245 10 30 AEEERN C[C@H]1C(=O)CCC[C@H]1CCCC=O 32135633 571899585 /nfs/dbraw/zinc/89/95/85/571899585.db2.gz NQONHVHHNWFPMU-NXEZZACHSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@H]1C=CC[C@H](C)[C@@H]1C=O 8613187 571899658 /nfs/dbraw/zinc/89/96/58/571899658.db2.gz CJHVOGFYMKIUAW-XHNCKOQMSA-N 0 0 138.210 2.034 10 30 AEEERN C=C(C)[C@H](O)c1ccc([N+](=O)[O-])cc1 687806896 571899965 /nfs/dbraw/zinc/89/99/65/571899965.db2.gz HKXGAZPFMJNWOU-JTQLQIEISA-N 0 0 193.202 2.204 10 30 AEEERN SC/C=C\CSc1cnccn1 211720347 571900038 /nfs/dbraw/zinc/90/00/38/571900038.db2.gz WMIRYZWWFDUBTK-UPHRSURJSA-N 0 0 198.316 2.055 10 30 AEEERN C#CCCC[C@@](C)(O)c1cccnc1 235429829 571900051 /nfs/dbraw/zinc/90/00/51/571900051.db2.gz VXQRTIKZQGBGKH-GFCCVEGCSA-N 0 0 189.258 2.093 10 30 AEEERN C=CCC[C@@H](O)[C@@H](C)CSC 300764644 571900458 /nfs/dbraw/zinc/90/04/58/571900458.db2.gz OBRVXQCFXWAQQW-DTWKUNHWSA-N 0 0 174.309 2.313 10 30 AEEERN C#CC[C@@H](C)NC(=O)CCC(C)(C)C 300764541 571900396 /nfs/dbraw/zinc/90/03/96/571900396.db2.gz PLKRWSXOXWTFGT-SNVBAGLBSA-N 0 0 195.306 2.341 10 30 AEEERN C[C@H]1C=CC[C@@H](C)[C@@H]1C=O 8613185 571900582 /nfs/dbraw/zinc/90/05/82/571900582.db2.gz CJHVOGFYMKIUAW-DJLDLDEBSA-N 0 0 138.210 2.034 10 30 AEEERN C=C(C)[C@@H](O)c1ccc([N+](=O)[O-])cc1 687806897 571900635 /nfs/dbraw/zinc/90/06/35/571900635.db2.gz HKXGAZPFMJNWOU-SNVBAGLBSA-N 0 0 193.202 2.204 10 30 AEEERN C#CC[C@@H](O)[C@H](O)CCCCCCC 100293695 571900638 /nfs/dbraw/zinc/90/06/38/571900638.db2.gz GZCFGGVLYVGATN-VXGBXAGGSA-N 0 0 198.306 2.092 10 30 AEEERN O=CC=C(O)C=Cc1ccccc1 211295209 571901370 /nfs/dbraw/zinc/90/13/70/571901370.db2.gz HUANFSPCZZGBNK-NMMTYZSQSA-N 0 0 174.199 2.341 10 30 AEEERN C=CCC[C@H](O)[C@H](C)CSC 300764641 571901613 /nfs/dbraw/zinc/90/16/13/571901613.db2.gz OBRVXQCFXWAQQW-BDAKNGLRSA-N 0 0 174.309 2.313 10 30 AEEERN C[C@@H]1CC[C@@H](C(C)(C)S)[C@@H](O)C1 39148318 571905224 /nfs/dbraw/zinc/90/52/24/571905224.db2.gz BQQNGLUIXGYKQB-HLTSFMKQSA-N 0 0 188.336 2.492 10 30 AEEERN C#CC[C@H](C)NC(=O)CCC(C)(C)C 300764539 571901756 /nfs/dbraw/zinc/90/17/56/571901756.db2.gz PLKRWSXOXWTFGT-JTQLQIEISA-N 0 0 195.306 2.341 10 30 AEEERN CC[C@@](C)(O)C(=O)C1=CCCCC1 233957515 571901785 /nfs/dbraw/zinc/90/17/85/571901785.db2.gz MBDJZMDNMZNDSL-LLVKDONJSA-N 0 0 182.263 2.217 10 30 AEEERN C=CCC/C=N\[S@@](=O)C(C)(C)C 211705702 571901963 /nfs/dbraw/zinc/90/19/63/571901963.db2.gz HYTHKJWBSJYOCY-CUZBXDDWSA-N 0 0 187.308 2.486 10 30 AEEERN CC/C(=N/N)C1CCCCC1 39136524 571902382 /nfs/dbraw/zinc/90/23/82/571902382.db2.gz RQLONRSOKYMVMT-LUAWRHEFSA-N 0 0 154.257 2.291 10 30 AEEERN C=CCCCCC[C@H](O)COC 234706765 571902534 /nfs/dbraw/zinc/90/25/34/571902534.db2.gz XYBOYTJPTPVTQY-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN C=CC[C@@H](C#N)c1cnccc1C#N 39140321 571902683 /nfs/dbraw/zinc/90/26/83/571902683.db2.gz GPUMKZHFKFJSRZ-VIFPVBQESA-N 0 0 183.214 2.137 10 30 AEEERN Cc1cc(C#N)cc(NC2(C)CC2)n1 157598810 571903070 /nfs/dbraw/zinc/90/30/70/571903070.db2.gz NZKBBDOYCUKFGB-UHFFFAOYSA-N 0 0 187.246 2.226 10 30 AEEERN C/C=C1\Oc2ccccc2C1=O 39136344 571903072 /nfs/dbraw/zinc/90/30/72/571903072.db2.gz RRDVOZXDENYOFP-WAPJZHGLSA-N 0 0 160.172 2.166 10 30 AEEERN CCSCC(=O)C=CC1CC1 212209186 571903093 /nfs/dbraw/zinc/90/30/93/571903093.db2.gz UQFSFILADWTNGZ-WAYWQWQTSA-N 0 0 170.277 2.275 10 30 AEEERN CCCC[C@@H]1O[C@H]1C#CCCCCO 212438415 571903144 /nfs/dbraw/zinc/90/31/44/571903144.db2.gz UVAMXOARLYYLQW-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CC(C)CC(CC(C)C)=NN 39136612 571903163 /nfs/dbraw/zinc/90/31/63/571903163.db2.gz NQZJNBRMGNNGKV-UHFFFAOYSA-N 0 0 156.273 2.393 10 30 AEEERN C/C=C\C#CC#C/C=C/Br 212377487 571903296 /nfs/dbraw/zinc/90/32/96/571903296.db2.gz ISANNFPGWWPYLF-MIZUJWOHSA-N 0 0 195.059 2.478 10 30 AEEERN CCCc1ccc(O)c(C#N)c1 145334281 571903450 /nfs/dbraw/zinc/90/34/50/571903450.db2.gz XRZVFCMTRUVYIK-UHFFFAOYSA-N 0 0 161.204 2.216 10 30 AEEERN O=C1C=C2c3ccccc3NC[C@H]2C1 39148109 571903675 /nfs/dbraw/zinc/90/36/75/571903675.db2.gz HAGVGDFSTQPUJK-MRVPVSSYSA-N 0 0 185.226 2.085 10 30 AEEERN O=C1C=C2c3ccccc3NC[C@@H]2C1 39148110 571903708 /nfs/dbraw/zinc/90/37/08/571903708.db2.gz HAGVGDFSTQPUJK-QMMMGPOBSA-N 0 0 185.226 2.085 10 30 AEEERN C=C1C=C(C)C=C(C)C1=O 39147392 571903881 /nfs/dbraw/zinc/90/38/81/571903881.db2.gz VNXGRKHGXWBWRK-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN CC(C)[C@@H](O)C1(C=O)CCCCC1 39148086 571904218 /nfs/dbraw/zinc/90/42/18/571904218.db2.gz CKPUOAWMWNCUSK-SNVBAGLBSA-N 0 0 184.279 2.153 10 30 AEEERN COc1cccc2c1C=C(C)C2=O 39147852 571904285 /nfs/dbraw/zinc/90/42/85/571904285.db2.gz UEJZYZNKSOFDGA-UHFFFAOYSA-N 0 0 174.199 2.295 10 30 AEEERN CC(C)[C@H](O)C1(C=O)CCCCC1 39148085 571904323 /nfs/dbraw/zinc/90/43/23/571904323.db2.gz CKPUOAWMWNCUSK-JTQLQIEISA-N 0 0 184.279 2.153 10 30 AEEERN O=C[C@]1(c2ccccc2)CC=CCO1 39148219 571904705 /nfs/dbraw/zinc/90/47/05/571904705.db2.gz GDZYHLKIJHMUIM-LBPRGKRZSA-N 0 0 188.226 2.057 10 30 AEEERN C=C(CC)C[C@H](CC1(C)CC1)NN 401264314 571904766 /nfs/dbraw/zinc/90/47/66/571904766.db2.gz HLZXYGIAVSMJMA-SNVBAGLBSA-N 0 0 182.311 2.365 10 30 AEEERN O=C[C@@]1(c2ccccc2)CC=CCO1 39148218 571905244 /nfs/dbraw/zinc/90/52/44/571905244.db2.gz GDZYHLKIJHMUIM-GFCCVEGCSA-N 0 0 188.226 2.057 10 30 AEEERN Cc1cc(C#N)cc(NC(C)(C)C)n1 157561786 571905094 /nfs/dbraw/zinc/90/50/94/571905094.db2.gz GKMSALPKSUIPQS-UHFFFAOYSA-N 0 0 189.262 2.472 10 30 AEEERN ON=CCC1CCCCC1 394541005 571905120 /nfs/dbraw/zinc/90/51/20/571905120.db2.gz UAMJMEWCRVEIQG-UHFFFAOYSA-N 0 0 141.214 2.417 10 30 AEEERN CC#CC[C@H](O)c1ccoc1CC 234265292 571905132 /nfs/dbraw/zinc/90/51/32/571905132.db2.gz HCPHXJPKUOGPQZ-JTQLQIEISA-N 0 0 178.231 2.289 10 30 AEEERN C[C@H](CC#N)SC[C@@H]1CCCO1 235434861 571905145 /nfs/dbraw/zinc/90/51/45/571905145.db2.gz TVFMHFSPVHFTQM-BDAKNGLRSA-N 0 0 185.292 2.201 10 30 AEEERN CN(C)c1ccccc1NCCC#N 234261705 571905196 /nfs/dbraw/zinc/90/51/96/571905196.db2.gz YYHNWHKDWOWHFL-UHFFFAOYSA-N 0 0 189.262 2.078 10 30 AEEERN C=CCNc1ccccc1N(C)C 234261667 571905310 /nfs/dbraw/zinc/90/53/10/571905310.db2.gz KHVXUYTWNARUDQ-UHFFFAOYSA-N 0 0 176.263 2.351 10 30 AEEERN C=CCCC/C=C\CCO 212505741 571905537 /nfs/dbraw/zinc/90/55/37/571905537.db2.gz BXDMITWVPPRLEQ-SREVYHEPSA-N 0 0 140.226 2.281 10 30 AEEERN C#CC[C@@H](O)[C@H](C)CCCC 145346167 571905542 /nfs/dbraw/zinc/90/55/42/571905542.db2.gz LHMIQDRBJHMYPQ-NXEZZACHSA-N 0 0 154.253 2.197 10 30 AEEERN C=C(CC)C[C@@H](CC1(C)CC1)NN 401264313 571905573 /nfs/dbraw/zinc/90/55/73/571905573.db2.gz HLZXYGIAVSMJMA-JTQLQIEISA-N 0 0 182.311 2.365 10 30 AEEERN C=C(C)[C@H](O)c1ccoc1CC 234265036 571905613 /nfs/dbraw/zinc/90/56/13/571905613.db2.gz ZOQFTNRCYBROMH-JTQLQIEISA-N 0 0 166.220 2.452 10 30 AEEERN CCC/N=C/c1cccc(O)c1 39168227 571906351 /nfs/dbraw/zinc/90/63/51/571906351.db2.gz RWUOPCSNNKPJCP-DHZHZOJOSA-N 0 0 163.220 2.221 10 30 AEEERN C[C@@H]1CCC[C@@H](COC[C@H]2CO2)C1 300767308 571905747 /nfs/dbraw/zinc/90/57/47/571905747.db2.gz OZMYECJMIFRHJC-MXWKQRLJSA-N 0 0 184.279 2.228 10 30 AEEERN CC(C)CONCC#CC(C)(C)C 300768761 571905738 /nfs/dbraw/zinc/90/57/38/571905738.db2.gz PGBKFVMFQWRMCR-UHFFFAOYSA-N 0 0 183.295 2.213 10 30 AEEERN C=C1CNC(=C2CCCCC2=O)S1 39148472 571905833 /nfs/dbraw/zinc/90/58/33/571905833.db2.gz OAOJLMJCHQAUPR-CSKARUKUSA-N 0 0 195.287 2.191 10 30 AEEERN C1CCC(ON=C2CCSC2)C1 379320956 571907300 /nfs/dbraw/zinc/90/73/00/571907300.db2.gz ZDXQLPZEAMGPLX-UHFFFAOYSA-N 0 0 185.292 2.439 10 30 AEEERN CCCCOc1cccc(C#N)c1N 131843689 571906001 /nfs/dbraw/zinc/90/60/01/571906001.db2.gz TUKBCFKLIYVBQN-UHFFFAOYSA-N 0 0 190.246 2.319 10 30 AEEERN N#Cc1cc2ncc(Cl)cc2o1 39168519 571906003 /nfs/dbraw/zinc/90/60/03/571906003.db2.gz FDMSWBOMERBIIJ-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN Cc1cc(C#N)cc(OC2CCC2)n1 157608747 571906100 /nfs/dbraw/zinc/90/61/00/571906100.db2.gz AZDUBILOZMHJPJ-UHFFFAOYSA-N 0 0 188.230 2.193 10 30 AEEERN C#CCCNc1ccccc1N(C)C 234261684 571906127 /nfs/dbraw/zinc/90/61/27/571906127.db2.gz UQGNDTVRKBUMGB-UHFFFAOYSA-N 0 0 188.274 2.188 10 30 AEEERN C=C(C)[C@H](O)C[C@@H](O)CCCCC 212545971 571906202 /nfs/dbraw/zinc/90/62/02/571906202.db2.gz NVTGPVCSKKVLLS-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN Cc1cc(C#N)cc(OCC(C)C)n1 157606697 571906208 /nfs/dbraw/zinc/90/62/08/571906208.db2.gz DGSOUJARUZVTQI-UHFFFAOYSA-N 0 0 190.246 2.297 10 30 AEEERN CC[C@H](C)Oc1cc(C#N)cc(C)n1 157608606 571906237 /nfs/dbraw/zinc/90/62/37/571906237.db2.gz CENTYASUQFJIBD-VIFPVBQESA-N 0 0 190.246 2.439 10 30 AEEERN CC(=NO)c1csc(C)c1 394561435 571906272 /nfs/dbraw/zinc/90/62/72/571906272.db2.gz MWSDZQWHAOQKLC-UHFFFAOYSA-N 0 0 155.222 2.255 10 30 AEEERN CC[C@@H](C)Oc1cc(C#N)cc(C)n1 157608458 571906279 /nfs/dbraw/zinc/90/62/79/571906279.db2.gz CENTYASUQFJIBD-SECBINFHSA-N 0 0 190.246 2.439 10 30 AEEERN C#CC[C@@H](O)[C@@H](C)CCCC 145346361 571906508 /nfs/dbraw/zinc/90/65/08/571906508.db2.gz LHMIQDRBJHMYPQ-VHSXEESVSA-N 0 0 154.253 2.197 10 30 AEEERN CC1(C=NO)CCCC1 394679887 571906550 /nfs/dbraw/zinc/90/65/50/571906550.db2.gz XSXVHOTYEPSMOU-UHFFFAOYSA-N 0 0 127.187 2.027 10 30 AEEERN C[C@H](CC#N)SC[C@H]1CCCO1 235434878 571906650 /nfs/dbraw/zinc/90/66/50/571906650.db2.gz TVFMHFSPVHFTQM-RKDXNWHRSA-N 0 0 185.292 2.201 10 30 AEEERN COC1=CC2=CC(=O)CC[C@H]2CC1 39188379 571906672 /nfs/dbraw/zinc/90/66/72/571906672.db2.gz UUPUHQLZCSVFOR-QMMMGPOBSA-N 0 0 178.231 2.216 10 30 AEEERN N#CC1(N2CC=CCC2)CCCCC1 39199506 571906675 /nfs/dbraw/zinc/90/66/75/571906675.db2.gz BVVQKBMCKQUGMA-UHFFFAOYSA-N 0 0 190.290 2.475 10 30 AEEERN C[C@@H]1CCC[C@H](COC[C@@H]2CO2)C1 300767313 571906725 /nfs/dbraw/zinc/90/67/25/571906725.db2.gz OZMYECJMIFRHJC-OUAUKWLOSA-N 0 0 184.279 2.228 10 30 AEEERN COC1=CC2=CC(=O)CC[C@@H]2CC1 39188378 571906893 /nfs/dbraw/zinc/90/68/93/571906893.db2.gz UUPUHQLZCSVFOR-MRVPVSSYSA-N 0 0 178.231 2.216 10 30 AEEERN C/C(=C\CC(C)(C)CO)CCC=O 213711474 571906940 /nfs/dbraw/zinc/90/69/40/571906940.db2.gz FJKIFHRJYQZLIQ-UXBLZVDNSA-N 0 0 184.279 2.320 10 30 AEEERN C[C@@H]1CCC[C@H](COC[C@H]2CO2)C1 300767615 571906950 /nfs/dbraw/zinc/90/69/50/571906950.db2.gz OZMYECJMIFRHJC-VWYCJHECSA-N 0 0 184.279 2.228 10 30 AEEERN CCC(CC)COC(=O)CCS 300767895 571907004 /nfs/dbraw/zinc/90/70/04/571907004.db2.gz PDLQBOWANMVVSW-UHFFFAOYSA-N 0 0 190.308 2.286 10 30 AEEERN C1CCC(NN=C2CCSC2)C1 379321445 571907080 /nfs/dbraw/zinc/90/70/80/571907080.db2.gz CFDCFNCLJLEYNU-UHFFFAOYSA-N 0 0 184.308 2.012 10 30 AEEERN CON=Cc1ccc(C)c(F)c1 379325815 571907110 /nfs/dbraw/zinc/90/71/10/571907110.db2.gz DZJRYUUARYQHOC-UHFFFAOYSA-N 0 0 167.183 2.114 10 30 AEEERN CC(=NN(C)C)c1ccccc1C 308463209 571907125 /nfs/dbraw/zinc/90/71/25/571907125.db2.gz IDGQNNHLHOEWPM-UHFFFAOYSA-N 0 0 176.263 2.281 10 30 AEEERN C[C@]1(CC#N)CCCCCC1=O 39202911 571907129 /nfs/dbraw/zinc/90/71/29/571907129.db2.gz HDEDAGREICRNQD-SNVBAGLBSA-N 0 0 165.236 2.440 10 30 AEEERN C[C@@H]1CCC[C@@H](COC[C@@H]2CO2)C1 300767303 571907180 /nfs/dbraw/zinc/90/71/80/571907180.db2.gz OZMYECJMIFRHJC-GMTAPVOTSA-N 0 0 184.279 2.228 10 30 AEEERN C=C[C@H](C)[C@@H](O)c1ccco1 36436801 571907324 /nfs/dbraw/zinc/90/73/24/571907324.db2.gz POEIITZLBFEGES-IONNQARKSA-N 0 0 152.193 2.135 10 30 AEEERN ON=Cc1ccc2c(c1)CCCC2 394654159 571907398 /nfs/dbraw/zinc/90/73/98/571907398.db2.gz WBHROEHBOZAPIT-UHFFFAOYSA-N 0 0 175.231 2.374 10 30 AEEERN C=C1Cc2ccccc2CC[C@H](O)C1 36466772 571907424 /nfs/dbraw/zinc/90/74/24/571907424.db2.gz GOEYLANOERBCSA-ZDUSSCGKSA-N 0 0 188.270 2.483 10 30 AEEERN N#CCOc1ccc2occc2c1 39201310 571907531 /nfs/dbraw/zinc/90/75/31/571907531.db2.gz AXPIUWKZGRNSTB-UHFFFAOYSA-N 0 0 173.171 2.335 10 30 AEEERN C=C[C@H](C)[C@H]1CCC(=O)C1 36458562 571907598 /nfs/dbraw/zinc/90/75/98/571907598.db2.gz XEUGJZRXZIGDEN-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H](C#N)[C@H](O)c1ccccc1 39184950 571907637 /nfs/dbraw/zinc/90/76/37/571907637.db2.gz KWHCFQDPVYYUNB-ONGXEEELSA-N 0 0 173.215 2.046 10 30 AEEERN C=C[C@H](C#N)[C@@H](O)c1ccccc1 39184953 571907646 /nfs/dbraw/zinc/90/76/46/571907646.db2.gz KWHCFQDPVYYUNB-MWLCHTKSSA-N 0 0 173.215 2.046 10 30 AEEERN C#C[C@H](C)[C@H](O)C#CCCCCC 39185054 571907660 /nfs/dbraw/zinc/90/76/60/571907660.db2.gz ISVSTALLJBJMPK-NWDGAFQWSA-N 0 0 178.275 2.200 10 30 AEEERN CCC[C@H]1CC(=O)C=C2CCCN21 39185079 571907702 /nfs/dbraw/zinc/90/77/02/571907702.db2.gz NGGZGILUCRPNKM-VIFPVBQESA-N 0 0 179.263 2.108 10 30 AEEERN C#CC[C@]12C[C@H]1CC(C)(C)CC2=O 36466568 571908411 /nfs/dbraw/zinc/90/84/11/571908411.db2.gz KAZJRUFVURHVGO-SKDRFNHKSA-N 0 0 176.259 2.405 10 30 AEEERN CCOc1ccccc1[C@H](C)C=O 78946223 571907781 /nfs/dbraw/zinc/90/77/81/571907781.db2.gz UDBSGOGKAKFYQV-SECBINFHSA-N 0 0 178.231 2.388 10 30 AEEERN C=C[C@H](C)[C@@H]1CCC(=O)C1 36458560 571907856 /nfs/dbraw/zinc/90/78/56/571907856.db2.gz XEUGJZRXZIGDEN-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CON=Cc1ccc(C)c(C)c1 379325379 571907884 /nfs/dbraw/zinc/90/78/84/571907884.db2.gz BZJIPBBDQZPLFK-UHFFFAOYSA-N 0 0 163.220 2.284 10 30 AEEERN C=CCC1C(=O)CC(C)CC1=O 39188373 571907894 /nfs/dbraw/zinc/90/78/94/571907894.db2.gz AEWOCJXBYVOROS-ZETCQYMHSA-N 0 0 166.220 2.374 10 30 AEEERN C[C@H]1CSCC1N=NC(C)(C)C 379321703 571907915 /nfs/dbraw/zinc/90/79/15/571907915.db2.gz DTVKBEIDRRWNFA-ZETCQYMHSA-N 0 0 186.324 2.113 10 30 AEEERN CON=C(C)c1cccc(F)c1 379325337 571907925 /nfs/dbraw/zinc/90/79/25/571907925.db2.gz BVFIKOVFMFFMRY-UHFFFAOYSA-N 0 0 167.183 2.196 10 30 AEEERN C=C[C@H](C#N)[C@H](O)c1ccccc1 39184951 571907935 /nfs/dbraw/zinc/90/79/35/571907935.db2.gz KWHCFQDPVYYUNB-KOLCDFICSA-N 0 0 173.215 2.046 10 30 AEEERN C=C[C@@H](C#N)[C@@H](O)c1ccccc1 39184952 571907984 /nfs/dbraw/zinc/90/79/84/571907984.db2.gz KWHCFQDPVYYUNB-GXSJLCMTSA-N 0 0 173.215 2.046 10 30 AEEERN CC(C)(C)N(O)C=Nc1ccccc1 687728561 571908077 /nfs/dbraw/zinc/90/80/77/571908077.db2.gz DPZAVKKNHSEANH-UKTHLTGXSA-N 0 0 192.262 2.436 10 30 AEEERN C[C@@H](C#Cc1ccccc1)CC=O 39184936 571908100 /nfs/dbraw/zinc/90/81/00/571908100.db2.gz JFHBGRAUQPKSJN-NSHDSACASA-N 0 0 172.227 2.263 10 30 AEEERN CC#CSc1ccccc1N 39202018 571908234 /nfs/dbraw/zinc/90/82/34/571908234.db2.gz LDEDXIMJKJVNEQ-UHFFFAOYSA-N 0 0 163.245 2.342 10 30 AEEERN CC1(C=NO)CCCCC1 394661667 571908307 /nfs/dbraw/zinc/90/83/07/571908307.db2.gz DZWSTSHBDFSGKD-UHFFFAOYSA-N 0 0 141.214 2.417 10 30 AEEERN C[C@@H]1CSCC1N=NC(C)(C)C 379321702 571908315 /nfs/dbraw/zinc/90/83/15/571908315.db2.gz DTVKBEIDRRWNFA-SSDOTTSWSA-N 0 0 186.324 2.113 10 30 AEEERN CCOc1ccccc1[C@@H](C)C=O 78946219 571908345 /nfs/dbraw/zinc/90/83/45/571908345.db2.gz UDBSGOGKAKFYQV-VIFPVBQESA-N 0 0 178.231 2.388 10 30 AEEERN C[C@H](C#Cc1ccccc1)CC=O 39184935 571908370 /nfs/dbraw/zinc/90/83/70/571908370.db2.gz JFHBGRAUQPKSJN-LLVKDONJSA-N 0 0 172.227 2.263 10 30 AEEERN Cc1cnc2c(c1)CCC[C@@H]2C#N 39200052 571908420 /nfs/dbraw/zinc/90/84/20/571908420.db2.gz NDMPTWYIVGDYNM-SNVBAGLBSA-N 0 0 172.231 2.334 10 30 AEEERN CC/C(=C\C#C[Si](C)(C)C)CO 213747608 571908463 /nfs/dbraw/zinc/90/84/63/571908463.db2.gz LGEIJNBNJZQIRP-JXMROGBWSA-N 0 0 182.339 2.196 10 30 AEEERN C[C@@]1(CC#N)CCCCCC1=O 39202912 571908492 /nfs/dbraw/zinc/90/84/92/571908492.db2.gz HDEDAGREICRNQD-JTQLQIEISA-N 0 0 165.236 2.440 10 30 AEEERN Nc1ccccc1SCCS 39185235 571908543 /nfs/dbraw/zinc/90/85/43/571908543.db2.gz DMTSZLWXJFSILF-UHFFFAOYSA-N 0 0 185.317 2.291 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1ccco1 36436802 571908553 /nfs/dbraw/zinc/90/85/53/571908553.db2.gz POEIITZLBFEGES-VXNVDRBHSA-N 0 0 152.193 2.135 10 30 AEEERN C=C(C)c1cc([N+](=O)[O-])ccc1N 687728871 571908565 /nfs/dbraw/zinc/90/85/65/571908565.db2.gz LXUIGWNANIMUIG-UHFFFAOYSA-N 0 0 178.191 2.210 10 30 AEEERN CC(C)C1CCC(C=NN)CC1 379323182 571908590 /nfs/dbraw/zinc/90/85/90/571908590.db2.gz OGXVVTQSBOIGKQ-UHFFFAOYSA-N 0 0 168.284 2.393 10 30 AEEERN CCC[C@@H]1CC(=O)C=C2CCCN21 39185078 571908600 /nfs/dbraw/zinc/90/86/00/571908600.db2.gz NGGZGILUCRPNKM-SECBINFHSA-N 0 0 179.263 2.108 10 30 AEEERN CCC(C)(C)C(Cl)=NO 394705663 571909064 /nfs/dbraw/zinc/90/90/64/571909064.db2.gz FELCEDUCUROYPZ-UHFFFAOYSA-N 0 0 149.621 2.449 10 30 AEEERN C/N=C(\SC)c1ccc(OC)cc1 39217107 571909089 /nfs/dbraw/zinc/90/90/89/571909089.db2.gz OIHWIHQISNZSRH-KHPPLWFESA-N 0 0 195.287 2.435 10 30 AEEERN C=C(CCCC)C(C)=O 39212599 571909105 /nfs/dbraw/zinc/90/91/05/571909105.db2.gz JDTQKULHKDUYBT-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN CCCC=C=CC(=O)CC 39212682 571909114 /nfs/dbraw/zinc/90/91/14/571909114.db2.gz HGGDEPCUXRKNHP-UHFFFAOYSA-N 0 0 138.210 2.477 10 30 AEEERN C=C(C)[C@@H]1CC=C(C)[C@H](NC(C)=O)C1 36466871 571909122 /nfs/dbraw/zinc/90/91/22/571909122.db2.gz GLOVOGSNFFJSQI-VXGBXAGGSA-N 0 0 193.290 2.424 10 30 AEEERN CCC1=C(C)CCC1=O 39207141 571910402 /nfs/dbraw/zinc/91/04/02/571910402.db2.gz TZJMINBYXYFIGT-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN C[C@H](CC=O)c1cccs1 39207974 571910427 /nfs/dbraw/zinc/91/04/27/571910427.db2.gz ZCHVBOFKMHFJSQ-SSDOTTSWSA-N 0 0 154.234 2.441 10 30 AEEERN C=CCN(CC=C)C(=O)OCC(C)C 78967507 571910792 /nfs/dbraw/zinc/91/07/92/571910792.db2.gz WFMVGJXKBGHNCM-UHFFFAOYSA-N 0 0 197.278 2.453 10 30 AEEERN N#CC/C=C/[C@@H]1CCCS1 687678071 571910888 /nfs/dbraw/zinc/91/08/88/571910888.db2.gz ANLHWPLWBZJXGI-YKXFLQSUSA-N 0 0 153.250 2.352 10 30 AEEERN O=CC/C=C/C1CCCC1 687677386 571911013 /nfs/dbraw/zinc/91/10/13/571911013.db2.gz IBEWGDWMRUKYIV-XVNBXDOJSA-N 0 0 138.210 2.322 10 30 AEEERN N#CC/C=C/[C@@H]1CCCCO1 687678008 571911038 /nfs/dbraw/zinc/91/10/38/571911038.db2.gz NETNBIKAJSNWON-VBOWQXIBSA-N 0 0 151.209 2.025 10 30 AEEERN O=CC/C=C/[C@H]1CCCS1 687678173 571911174 /nfs/dbraw/zinc/91/11/74/571911174.db2.gz DEOGACGATFTKCD-WTJMVXMFSA-N 0 0 156.250 2.027 10 30 AEEERN N#CC/C=C/[C@@H]1CCSC1 687678099 571911268 /nfs/dbraw/zinc/91/12/68/571911268.db2.gz SXDWCIKXTGNWLO-YUQHSTNDSA-N 0 0 153.250 2.209 10 30 AEEERN N#CC/C=C/C1CCC1 687677738 571911329 /nfs/dbraw/zinc/91/13/29/571911329.db2.gz AXLKBJMTCHRGAE-DAFODLJHSA-N 0 0 121.183 2.256 10 30 AEEERN N#CC/C=C/[C@H]1CCCS1 687678070 571911643 /nfs/dbraw/zinc/91/16/43/571911643.db2.gz ANLHWPLWBZJXGI-WTJMVXMFSA-N 0 0 153.250 2.352 10 30 AEEERN N#CC/C=C/[C@H]1CCSC1 687678098 571911963 /nfs/dbraw/zinc/91/19/63/571911963.db2.gz SXDWCIKXTGNWLO-LKVYWMSASA-N 0 0 153.250 2.209 10 30 AEEERN CC1(C)CC(=O)C=C([C@@H]2C[C@H]2C=O)C1 39233719 571911891 /nfs/dbraw/zinc/91/18/91/571911891.db2.gz VUJPFRUMGYSGOU-ONGXEEELSA-N 0 0 192.258 2.137 10 30 AEEERN N#CC/C=C/C[C@H]1CCCO1 687677987 571911896 /nfs/dbraw/zinc/91/18/96/571911896.db2.gz NPBXFSCTVPKTDH-VWCDRPFISA-N 0 0 151.209 2.025 10 30 AEEERN O=CC/C=C/[C@@H]1CCCS1 687678174 571912207 /nfs/dbraw/zinc/91/22/07/571912207.db2.gz DEOGACGATFTKCD-YKXFLQSUSA-N 0 0 156.250 2.027 10 30 AEEERN CCCC[C@H]1CC=CC1=O 39235449 571912250 /nfs/dbraw/zinc/91/22/50/571912250.db2.gz TZIXJRCVLIIIEA-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN N#CC/C=C/C[C@@H]1CCCO1 687677986 571912262 /nfs/dbraw/zinc/91/22/62/571912262.db2.gz NPBXFSCTVPKTDH-GPYPMJJRSA-N 0 0 151.209 2.025 10 30 AEEERN C=C(C)[C@@H](O)[C@@H](C)/C=C\C 214942666 571913528 /nfs/dbraw/zinc/91/35/28/571913528.db2.gz UIRPBZZAPBWXIO-FEDQFDDPSA-N 0 0 140.226 2.136 10 30 AEEERN OCCC#CSc1ccccc1 206726650 571912679 /nfs/dbraw/zinc/91/26/79/571912679.db2.gz OFDYNPISEXTSJC-UHFFFAOYSA-N 0 0 178.256 2.122 10 30 AEEERN O=C1C=C(Cl)c2ccccc21 39233732 571912739 /nfs/dbraw/zinc/91/27/39/571912739.db2.gz BAIJPPWYNZBWPU-UHFFFAOYSA-N 0 0 164.591 2.463 10 30 AEEERN C[C@@H]1CCC[C@@H](C)C1=NN(C)C 39234092 571912854 /nfs/dbraw/zinc/91/28/54/571912854.db2.gz RJYFGVZXIZDECS-RKDXNWHRSA-N 0 0 168.284 2.360 10 30 AEEERN SCCc1ccsc1 39218339 571913546 /nfs/dbraw/zinc/91/35/46/571913546.db2.gz XNRUZPSEWYLHFD-UHFFFAOYSA-N 0 0 144.264 2.220 10 30 AEEERN CC1=CC(C)(Cl)C=C(C)C1=O 39237303 571913032 /nfs/dbraw/zinc/91/30/32/571913032.db2.gz PZRWNFNRJVKLCR-UHFFFAOYSA-N 0 0 170.639 2.459 10 30 AEEERN CC1(C)CC(=O)C=C([C@@H]2C[C@@H]2C=O)C1 39233718 571913204 /nfs/dbraw/zinc/91/32/04/571913204.db2.gz VUJPFRUMGYSGOU-KOLCDFICSA-N 0 0 192.258 2.137 10 30 AEEERN CC(=O)C(=CC=C(C)C)C(C)=O 39238396 571913407 /nfs/dbraw/zinc/91/34/07/571913407.db2.gz XQBNFRUUMZHORC-UHFFFAOYSA-N 0 0 166.220 2.057 10 30 AEEERN C=CC1=CC(=O)CC(C)(C)C1 39233005 571913439 /nfs/dbraw/zinc/91/34/39/571913439.db2.gz QXXJSQJAVWUXFH-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN N#CC/C=C/CC1CCOCC1 687678553 571913489 /nfs/dbraw/zinc/91/34/89/571913489.db2.gz SGORAUYUEAQGGE-OWOJBTEDSA-N 0 0 165.236 2.273 10 30 AEEERN N#CC/C=C/C[C@H]1CCCCO1 687678555 571913833 /nfs/dbraw/zinc/91/38/33/571913833.db2.gz VIHDWXJWVPFUEB-YOLVWIGZSA-N 0 0 165.236 2.415 10 30 AEEERN O=CC/C=C/C[C@@H]1CCCCO1 687678864 571913844 /nfs/dbraw/zinc/91/38/44/571913844.db2.gz USMBFSOUMXKKHA-TXXBHVLJSA-N 0 0 168.236 2.091 10 30 AEEERN N#CC/C=C/C[C@@H]1CCCOC1 687678551 571913983 /nfs/dbraw/zinc/91/39/83/571913983.db2.gz QVAYYNNFNVVRIC-TXXBHVLJSA-N 0 0 165.236 2.273 10 30 AEEERN CC(C)(C)C1(C=O)CC1 39244684 571913990 /nfs/dbraw/zinc/91/39/90/571913990.db2.gz MTSOEZAPAKGREP-UHFFFAOYSA-N 0 0 126.199 2.012 10 30 AEEERN O=CC/C=C/Cc1cccs1 687678724 571914024 /nfs/dbraw/zinc/91/40/24/571914024.db2.gz FJMXJZGFNMTZQV-OWOJBTEDSA-N 0 0 166.245 2.436 10 30 AEEERN N#CC/C=C/C[C@H]1CCCOC1 687678552 571914030 /nfs/dbraw/zinc/91/40/30/571914030.db2.gz QVAYYNNFNVVRIC-YOLVWIGZSA-N 0 0 165.236 2.273 10 30 AEEERN CC[C@]1(C)CC(C)=CC1=O 39245098 571914054 /nfs/dbraw/zinc/91/40/54/571914054.db2.gz KTNYVZPMADJFIS-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN N#CC/C=C/c1ccccc1O 687678395 571914362 /nfs/dbraw/zinc/91/43/62/571914362.db2.gz VZOUFMVZSWNECJ-ZZXKWVIFSA-N 0 0 159.188 2.319 10 30 AEEERN CC[C@@H]1CCC(=O)C=C1C 39244435 571914401 /nfs/dbraw/zinc/91/44/01/571914401.db2.gz ULLGCIMWPNBMOT-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CCC1=CC(=O)CC[C@@H]1C 39244437 571914423 /nfs/dbraw/zinc/91/44/23/571914423.db2.gz KABCBIJVOXYNHG-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN O=CC/C=C/C[C@H]1CCCCO1 687678865 571914426 /nfs/dbraw/zinc/91/44/26/571914426.db2.gz USMBFSOUMXKKHA-YOLVWIGZSA-N 0 0 168.236 2.091 10 30 AEEERN O=C1C=C(c2ccccc2)SC1 39238843 571914462 /nfs/dbraw/zinc/91/44/62/571914462.db2.gz OLIOCSGFEZVCDZ-UHFFFAOYSA-N 0 0 176.240 2.343 10 30 AEEERN CCCCCSC[C@H]1CO1 39241212 571914504 /nfs/dbraw/zinc/91/45/04/571914504.db2.gz DKUIDGJUJHITHQ-MRVPVSSYSA-N 0 0 160.282 2.309 10 30 AEEERN C=C/C=C/C(=O)CCC 39249414 571914540 /nfs/dbraw/zinc/91/45/40/571914540.db2.gz DWXYESOTAHVYEC-FNORWQNLSA-N 0 0 124.183 2.098 10 30 AEEERN CCCN=Nc1ccccc1N 39245818 571914774 /nfs/dbraw/zinc/91/47/74/571914774.db2.gz RURWYWONMCMSSY-YRNVUSSQSA-N 0 0 163.224 2.077 10 30 AEEERN N#CC/C=C/C[C@@H]1CCCCO1 687678554 571915231 /nfs/dbraw/zinc/91/52/31/571915231.db2.gz VIHDWXJWVPFUEB-TXXBHVLJSA-N 0 0 165.236 2.415 10 30 AEEERN C#CC[C@H](O)/C=C/CCCC 36436806 571914817 /nfs/dbraw/zinc/91/48/17/571914817.db2.gz ZWLVUTXDOBUNTK-PCYYEKQGSA-N 0 0 152.237 2.117 10 30 AEEERN CC[C@@]1(C)CC(C)=CC1=O 39245099 571914880 /nfs/dbraw/zinc/91/48/80/571914880.db2.gz KTNYVZPMADJFIS-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=C/C(=N/O)c1ccccc1 39244372 571914936 /nfs/dbraw/zinc/91/49/36/571914936.db2.gz DIOMGHKDVSHOPS-KTKRTIGZSA-N 0 0 147.177 2.051 10 30 AEEERN CCCCCSC[C@@H]1CO1 39241211 571914956 /nfs/dbraw/zinc/91/49/56/571914956.db2.gz DKUIDGJUJHITHQ-QMMMGPOBSA-N 0 0 160.282 2.309 10 30 AEEERN CC1=CC(=O)C=C(C)C1(C)C 39247203 571914957 /nfs/dbraw/zinc/91/49/57/571914957.db2.gz RHIYIMQPIGYWEK-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@@H](SCC)[C@H](O)CC 196159988 571914971 /nfs/dbraw/zinc/91/49/71/571914971.db2.gz ZZICVSMJMBOEIT-HTQZYQBOSA-N 0 0 160.282 2.065 10 30 AEEERN O=CC/C=C/[C@H]1CCCSC1 687679286 571917333 /nfs/dbraw/zinc/91/73/33/571917333.db2.gz YSYRXISJTGQBRP-PWTMJPFMSA-N 0 0 170.277 2.275 10 30 AEEERN N#CC/C=C/c1ccc(O)cc1 687678393 571915099 /nfs/dbraw/zinc/91/50/99/571915099.db2.gz OXNDYZOXYIACIF-HNQUOIGGSA-N 0 0 159.188 2.319 10 30 AEEERN N#CC/C=C/Cc1ccc(O)cc1 687679418 571916035 /nfs/dbraw/zinc/91/60/35/571916035.db2.gz POMFFVUATJZGEI-OWOJBTEDSA-N 0 0 173.215 2.405 10 30 AEEERN C[C@@H]1C=CC(=O)CC1(C)C 39239982 571915258 /nfs/dbraw/zinc/91/52/58/571915258.db2.gz GTOBFVQGIRZMSA-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN N#CCCCc1ccc(N)cc1 39245270 571915276 /nfs/dbraw/zinc/91/52/76/571915276.db2.gz VOBGOLQYIBMRSR-UHFFFAOYSA-N 0 0 160.220 2.115 10 30 AEEERN CC1=CCCCCC1=O 39240247 571915316 /nfs/dbraw/zinc/91/53/16/571915316.db2.gz OKEGBZRAOCYTJW-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN CC[C@H]1CCC(=O)C=C1C 39244436 571915427 /nfs/dbraw/zinc/91/54/27/571915427.db2.gz ULLGCIMWPNBMOT-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CCC(CC)=NN1CCC[C@H]1COC 36448571 571915517 /nfs/dbraw/zinc/91/55/17/571915517.db2.gz PXSSHKOBLDVGCK-NSHDSACASA-N 0 0 198.310 2.273 10 30 AEEERN CCC1=CC(=O)CC[C@H]1C 39244438 571915588 /nfs/dbraw/zinc/91/55/88/571915588.db2.gz KABCBIJVOXYNHG-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN O=C1C=CCC12CCCCC2 39245103 571915622 /nfs/dbraw/zinc/91/56/22/571915622.db2.gz AKLGGVUBCFFSLF-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN C[C@H]1C=CC(=O)CC1(C)C 39239983 571915711 /nfs/dbraw/zinc/91/57/11/571915711.db2.gz GTOBFVQGIRZMSA-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN O=C[C@@H]1C[C@H]2C=CC[C@@H](C1)C2 39244204 571915815 /nfs/dbraw/zinc/91/58/15/571915815.db2.gz ZYFPEVQPZFFFLU-IVZWLZJFSA-N 0 0 150.221 2.178 10 30 AEEERN O=CC/C=C/[C@H]1CCCCS1 687679288 571915972 /nfs/dbraw/zinc/91/59/72/571915972.db2.gz ZAZSDUPLYOXDKN-ZGQKAHPSSA-N 0 0 170.277 2.417 10 30 AEEERN O=CC/C=C/Cc1cccc(O)c1 687679484 571916205 /nfs/dbraw/zinc/91/62/05/571916205.db2.gz DGOJLMKJKYCUQA-OWOJBTEDSA-N 0 0 176.215 2.080 10 30 AEEERN CSc1cc([N+](=O)[O-])ccc1C#N 39254696 571916208 /nfs/dbraw/zinc/91/62/08/571916208.db2.gz WUEYEQNSYGIJMN-UHFFFAOYSA-N 0 0 194.215 2.188 10 30 AEEERN CCC(C)(CC)CC=O 39254589 571916234 /nfs/dbraw/zinc/91/62/34/571916234.db2.gz RMJFIACBKLAXEY-UHFFFAOYSA-N 0 0 128.215 2.402 10 30 AEEERN N#CC/C=C/Cc1ccccc1O 687679419 571916261 /nfs/dbraw/zinc/91/62/61/571916261.db2.gz SZWXFLRAFSMZRQ-OWOJBTEDSA-N 0 0 173.215 2.405 10 30 AEEERN CCC#CCC(C)(C)C=O 39256993 571916756 /nfs/dbraw/zinc/91/67/56/571916756.db2.gz HDEGVTCWKOOVOV-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN O=CCS[C@@H]1C=CCCCC1 39255361 571916990 /nfs/dbraw/zinc/91/69/90/571916990.db2.gz ONLNWUYKBVTILP-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN C[C@@H]1CC2=C(CCCC2)C1=O 39251764 571916994 /nfs/dbraw/zinc/91/69/94/571916994.db2.gz YHHMHYDXVAPUIC-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN C=CC[C@H]1CC=CC(=O)C1 39261162 571917004 /nfs/dbraw/zinc/91/70/04/571917004.db2.gz BTMQQJYDLWRDLU-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN O=CC/C=C/Cc1ccc(O)cc1 687679486 571917225 /nfs/dbraw/zinc/91/72/25/571917225.db2.gz NNBUTVQUJRTHIH-OWOJBTEDSA-N 0 0 176.215 2.080 10 30 AEEERN O=CCS[C@H]1C=CCCCC1 39255362 571917469 /nfs/dbraw/zinc/91/74/69/571917469.db2.gz ONLNWUYKBVTILP-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN C=CCC(C#N)CC=C 39255255 571917572 /nfs/dbraw/zinc/91/75/72/571917572.db2.gz AUODHSCXTKVOCF-UHFFFAOYSA-N 0 0 121.183 2.278 10 30 AEEERN CCCCC(=O)/C=C/Cl 39255693 571917628 /nfs/dbraw/zinc/91/76/28/571917628.db2.gz ZCOYDENWFUCSMG-AATRIKPKSA-N 0 0 146.617 2.498 10 30 AEEERN N#CCCc1ccc(F)s1 145493010 571917647 /nfs/dbraw/zinc/91/76/47/571917647.db2.gz QJPZOCFQPFIJCU-UHFFFAOYSA-N 0 0 155.197 2.343 10 30 AEEERN C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)C#N 36667570 571917669 /nfs/dbraw/zinc/91/76/69/571917669.db2.gz RATXQASZZOYHBL-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN O=CC/C=C/[C@@H]1CCCSC1 687679285 571917756 /nfs/dbraw/zinc/91/77/56/571917756.db2.gz YSYRXISJTGQBRP-CITMHJQUSA-N 0 0 170.277 2.275 10 30 AEEERN CC(=O)CCC1=C(C)CCC1=O 39270440 571918493 /nfs/dbraw/zinc/91/84/93/571918493.db2.gz LYXAZZGJOOVDOC-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN O=C1C=CC2(C=C1)CC=CCC2 39258168 571917935 /nfs/dbraw/zinc/91/79/35/571917935.db2.gz ABKBWFDDDHPBOE-UHFFFAOYSA-N 0 0 160.216 2.408 10 30 AEEERN CC(C)=CC[C@H](C)C=O 39254264 571918024 /nfs/dbraw/zinc/91/80/24/571918024.db2.gz NTPNJYFKMSTHQR-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN [N-]=[N+]=Nc1cncc(N=[N+]=[N-])n1 39256077 571918030 /nfs/dbraw/zinc/91/80/30/571918030.db2.gz CVARKKPQWQKVMN-UHFFFAOYSA-N 0 0 162.116 2.360 10 30 AEEERN O=CC/C=C/C1CCSCC1 687679304 571918043 /nfs/dbraw/zinc/91/80/43/571918043.db2.gz BTYXWXGFIXNRMS-HNQUOIGGSA-N 0 0 170.277 2.275 10 30 AEEERN CC(C)N=Nc1ccccc1[N+](=O)[O-] 39250963 571918053 /nfs/dbraw/zinc/91/80/53/571918053.db2.gz FRBYFUAPTMIUDO-UHFFFAOYSA-N 0 0 193.206 2.403 10 30 AEEERN N#CC/C=C/Cc1cccc(O)c1 687679416 571918072 /nfs/dbraw/zinc/91/80/72/571918072.db2.gz HXHGDXBRTYIJJP-OWOJBTEDSA-N 0 0 173.215 2.405 10 30 AEEERN CCCCCCCCOC(=O)C=O 100313312 571918088 /nfs/dbraw/zinc/91/80/88/571918088.db2.gz CIFSXMMZCJYJTJ-UHFFFAOYSA-N 0 0 186.251 2.089 10 30 AEEERN C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C#N 36667568 571918098 /nfs/dbraw/zinc/91/80/98/571918098.db2.gz RATXQASZZOYHBL-DCAQKATOSA-N 0 0 180.295 2.314 10 30 AEEERN O=CC/C=C/C[C@@H]1CCSC1 687679283 571918102 /nfs/dbraw/zinc/91/81/02/571918102.db2.gz PGPVSNHEGISQLB-GPYPMJJRSA-N 0 0 170.277 2.275 10 30 AEEERN CC(C)=C1CS[C@@H](C)C1=O 39256686 571918117 /nfs/dbraw/zinc/91/81/17/571918117.db2.gz HCMYQNLSWIYMCV-LURJTMIESA-N 0 0 156.250 2.027 10 30 AEEERN C[C@H]1CC2=C(CCCC2)C1=O 39251765 571918118 /nfs/dbraw/zinc/91/81/18/571918118.db2.gz YHHMHYDXVAPUIC-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN N/N=C/c1ccc2ccccc2c1 39262557 571919257 /nfs/dbraw/zinc/91/92/57/571919257.db2.gz UTLOXTWYBAOMTF-MDWZMJQESA-N 0 0 170.215 2.132 10 30 AEEERN O=CC/C=C/Cc1ccccc1O 687679492 571918171 /nfs/dbraw/zinc/91/81/71/571918171.db2.gz SAJZQZCJHZBZCE-OWOJBTEDSA-N 0 0 176.215 2.080 10 30 AEEERN CCCc1cc(F)c(C#N)cc1O 216636630 571918315 /nfs/dbraw/zinc/91/83/15/571918315.db2.gz BENXMHCIAUIQCF-UHFFFAOYSA-N 0 0 179.194 2.355 10 30 AEEERN C=C[C@@]1(C)CC(C(C)=O)=C(C)O1 39271902 571918454 /nfs/dbraw/zinc/91/84/54/571918454.db2.gz FTZMYXYLNRBFKK-JTQLQIEISA-N 0 0 166.220 2.214 10 30 AEEERN O=CC/C=C/C[C@@H]1CCCS1 687679280 571918486 /nfs/dbraw/zinc/91/84/86/571918486.db2.gz JGFGSIRNZPRZQD-GPYPMJJRSA-N 0 0 170.277 2.417 10 30 AEEERN O=CC/C=C/C[C@H]1CCSC1 687679284 571918593 /nfs/dbraw/zinc/91/85/93/571918593.db2.gz PGPVSNHEGISQLB-VWCDRPFISA-N 0 0 170.277 2.275 10 30 AEEERN Cc1c(CC=O)n(C)c2ccccc12 39276591 571919280 /nfs/dbraw/zinc/91/92/80/571919280.db2.gz YQGDFUZWCXABLD-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN CCCC[C@]1(CC)CO1 39270599 571918771 /nfs/dbraw/zinc/91/87/71/571918771.db2.gz UKISJAFVMIUTPT-MRVPVSSYSA-N 0 0 128.215 2.356 10 30 AEEERN C[C@H](C=O)[C@@H](C)OC(C)(C)C 39277544 571919290 /nfs/dbraw/zinc/91/92/90/571919290.db2.gz OKDHHSWGYLEYAU-HTQZYQBOSA-N 0 0 158.241 2.025 10 30 AEEERN CCC#CCC1=C(C)CCC1=O 39268230 571918807 /nfs/dbraw/zinc/91/88/07/571918807.db2.gz OBBZFKGZPJYEMS-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN C=C(C)C(=O)N(C)Cc1ccccc1 145504848 571918908 /nfs/dbraw/zinc/91/89/08/571918908.db2.gz HOEYLHLLRRRGLL-UHFFFAOYSA-N 0 0 189.258 2.221 10 30 AEEERN C[C@H](C=O)[C@H](C)OC(C)(C)C 39277546 571918967 /nfs/dbraw/zinc/91/89/67/571918967.db2.gz OKDHHSWGYLEYAU-SFYZADRCSA-N 0 0 158.241 2.025 10 30 AEEERN C/C=C/[C@@H]1CC(C(C)=O)=C(C)O1 39271899 571918989 /nfs/dbraw/zinc/91/89/89/571918989.db2.gz RTAZVRNNHKEHFZ-XNPJLODASA-N 0 0 166.220 2.214 10 30 AEEERN N#Cc1ccc(N)cc1-c1cccnc1 47216324 571919001 /nfs/dbraw/zinc/91/90/01/571919001.db2.gz UCLVQZGKOQYPPZ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1ccc(N)c(-c2cccnc2)c1 47216327 571919056 /nfs/dbraw/zinc/91/90/56/571919056.db2.gz HTZSQUNQFSCTRF-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1c(N)cccc1-c1ccncc1 47216313 571919126 /nfs/dbraw/zinc/91/91/26/571919126.db2.gz UAIXDQQTTUYBFY-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cc(-c2cccnc2)ccc1N 47216307 571919246 /nfs/dbraw/zinc/91/92/46/571919246.db2.gz AGYATBCBLQWYBL-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C[C@@H](Cn1ccnc1C#N)C(C)(C)C 711202905 571919501 /nfs/dbraw/zinc/91/95/01/571919501.db2.gz VSEPNFAQVDLDNH-VIFPVBQESA-N 0 0 191.278 2.437 10 30 AEEERN N#Cc1ccc(-c2cccnc2)cc1N 47216303 571919688 /nfs/dbraw/zinc/91/96/88/571919688.db2.gz UKLHRFQXEJATEZ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C[C@H](OC(C)(C)C)[C@@H](C)C=O 39277545 571919693 /nfs/dbraw/zinc/91/96/93/571919693.db2.gz OKDHHSWGYLEYAU-YUMQZZPRSA-N 0 0 158.241 2.025 10 30 AEEERN N#Cc1ccc(-c2ccncc2)cc1N 47216305 571919880 /nfs/dbraw/zinc/91/98/80/571919880.db2.gz VRVJTTJAFXAWCX-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C[C@]1(C)CC(C(C)=O)=C(C)O1 39271901 571919934 /nfs/dbraw/zinc/91/99/34/571919934.db2.gz FTZMYXYLNRBFKK-SNVBAGLBSA-N 0 0 166.220 2.214 10 30 AEEERN C[C@@H](C#N)CSC[C@@H]1CCCO1 235485632 571920010 /nfs/dbraw/zinc/92/00/10/571920010.db2.gz HEIYNZSSWGVBRC-IUCAKERBSA-N 0 0 185.292 2.058 10 30 AEEERN CC(C)(C)[S@](=O)/N=C\c1ccoc1 216274477 571920014 /nfs/dbraw/zinc/92/00/14/571920014.db2.gz HDIBBRPEFCQVJM-HKBVPSITSA-N 0 0 199.275 2.161 10 30 AEEERN C[C@H](CC#N)c1ccncc1 39275174 571920047 /nfs/dbraw/zinc/92/00/47/571920047.db2.gz ZFVUKFAFDACVAN-MRVPVSSYSA-N 0 0 146.193 2.099 10 30 AEEERN C[C@@H](C#N)CSC[C@H]1CCCO1 235485853 571920120 /nfs/dbraw/zinc/92/01/20/571920120.db2.gz HEIYNZSSWGVBRC-DTWKUNHWSA-N 0 0 185.292 2.058 10 30 AEEERN C[C@@H](C=O)[C@@H](C)OC(C)(C)C 39277543 571920122 /nfs/dbraw/zinc/92/01/22/571920122.db2.gz OKDHHSWGYLEYAU-JGVFFNPUSA-N 0 0 158.241 2.025 10 30 AEEERN C=C[C@@H]1C[C@@H]2C=CC(=O)[C@@H]2[C@H]1C 139435363 571920845 /nfs/dbraw/zinc/92/08/45/571920845.db2.gz FAOWCGUFJLGQKL-QCBRBAQYSA-N 0 0 162.232 2.200 10 30 AEEERN N#Cc1cccc(-c2cccnc2)c1N 47216300 571920701 /nfs/dbraw/zinc/92/07/01/571920701.db2.gz FLGNFJOVYHTWCC-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C/C(=C/CC#C[Si](C)(C)C)CO 216068057 571920872 /nfs/dbraw/zinc/92/08/72/571920872.db2.gz HKAAWEAFYKYDRX-YFHOEESVSA-N 0 0 182.339 2.196 10 30 AEEERN N#Cc1cc(-c2cccnc2)ccc1O 47216568 571920943 /nfs/dbraw/zinc/92/09/43/571920943.db2.gz IPQDPONLKUKEGG-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN CC(C)(C)C#C[C@H](O)C(C)(C)C 139382522 571921140 /nfs/dbraw/zinc/92/11/40/571921140.db2.gz TVXZJSZTLFMIMA-VIFPVBQESA-N 0 0 168.280 2.443 10 30 AEEERN COC(=O)CC/C=C/C/C=C/CC=O 216164748 571921369 /nfs/dbraw/zinc/92/13/69/571921369.db2.gz DDUHCTSBOOOKAF-GGWOSOGESA-N 0 0 196.246 2.031 10 30 AEEERN C=C1C[C@H]2CC(=O)C[C@@]2(C)C1 196141764 571921252 /nfs/dbraw/zinc/92/12/52/571921252.db2.gz OJRPWVRQJZPUBA-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)C[C@H]1C=C(C)C(=O)C1 196141953 571921260 /nfs/dbraw/zinc/92/12/60/571921260.db2.gz DKXJRPBWGKJYTK-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=C(F)C(=O)Cc1ccccc1 39319521 571921352 /nfs/dbraw/zinc/92/13/52/571921352.db2.gz WZYQYGHMIJPWDL-UHFFFAOYSA-N 0 0 164.179 2.281 10 30 AEEERN C=C(C)[C@H](CO)[C@H](O)C1CCCCC1 216252208 571921460 /nfs/dbraw/zinc/92/14/60/571921460.db2.gz PAIRCOAVGYHBPA-NWDGAFQWSA-N 0 0 198.306 2.112 10 30 AEEERN C=C(C)C[C@@]1(C)C=CC(=O)C1 196141945 571921476 /nfs/dbraw/zinc/92/14/76/571921476.db2.gz NUNXPHXICGSRME-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1C[C@@H]2CC(=O)C[C@]2(C)C1 196141746 571921543 /nfs/dbraw/zinc/92/15/43/571921543.db2.gz OJRPWVRQJZPUBA-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN c1ccc2c([C@@H]3CO3)nccc2c1 196149199 571921592 /nfs/dbraw/zinc/92/15/92/571921592.db2.gz UCJBCBGQUCTCOW-JTQLQIEISA-N 0 0 171.199 2.306 10 30 AEEERN CC1=CC[C@H]2CC=C(C2)C1=O 39341647 571921645 /nfs/dbraw/zinc/92/16/45/571921645.db2.gz VICHRTNGVZXJRW-DTWKUNHWSA-N 0 0 148.205 2.098 10 30 AEEERN C[C@@H](C/C=N/O)Nc1ccccc1 39331181 571921854 /nfs/dbraw/zinc/92/18/54/571921854.db2.gz GIJRMVFGMZILRN-OHMLCJAVSA-N 0 0 178.235 2.337 10 30 AEEERN CCC(=O)C=C(Cl)Cl 196149069 571922146 /nfs/dbraw/zinc/92/21/46/571922146.db2.gz MKYXEMPAKPNLRH-UHFFFAOYSA-N 0 0 153.008 2.285 10 30 AEEERN C=C1CCCC[C@@H]1CC=O 139495215 571922164 /nfs/dbraw/zinc/92/21/64/571922164.db2.gz JIUZCJNGQAGLTF-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN N#Cc1cc(-c2ccncc2)ccc1N 47216309 571922169 /nfs/dbraw/zinc/92/21/69/571922169.db2.gz HNIQRZPJVPHCNW-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CC1=CC(=O)C2(CCCCC2)O1 196142682 571922189 /nfs/dbraw/zinc/92/21/89/571922189.db2.gz QNDPTGDPVFPTIS-UHFFFAOYSA-N 0 0 166.220 2.192 10 30 AEEERN C=C(C)C[C@]1(C)C=CC(=O)C1 196141949 571922273 /nfs/dbraw/zinc/92/22/73/571922273.db2.gz NUNXPHXICGSRME-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](C/C=N/O)Nc1ccccc1 39331182 571922298 /nfs/dbraw/zinc/92/22/98/571922298.db2.gz GIJRMVFGMZILRN-FJUNDMEASA-N 0 0 178.235 2.337 10 30 AEEERN C=C(C)C[C@@H]1C=CC(=O)C1 196141939 571922432 /nfs/dbraw/zinc/92/24/32/571922432.db2.gz NIVUHKUHZCZLDG-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C=C(C)C[C@@H]1C=C(C)C(=O)C1 196141959 571922578 /nfs/dbraw/zinc/92/25/78/571922578.db2.gz DKXJRPBWGKJYTK-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CCOCCC(=O)CC#CC(C)(C)C 300781663 571922719 /nfs/dbraw/zinc/92/27/19/571922719.db2.gz RQCHHTPPTDUIBT-UHFFFAOYSA-N 0 0 196.290 2.422 10 30 AEEERN CC1=C2CCC(=O)C=C2CC1 39343191 571922866 /nfs/dbraw/zinc/92/28/66/571922866.db2.gz FYZPZRSBBGQRHV-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN C=C1C[C@@H]2CC(=O)C[C@@]2(C)C1 196141750 571922885 /nfs/dbraw/zinc/92/28/85/571922885.db2.gz OJRPWVRQJZPUBA-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN c1ccc2c([C@H]3CO3)nccc2c1 196149204 571923410 /nfs/dbraw/zinc/92/34/10/571923410.db2.gz UCJBCBGQUCTCOW-SNVBAGLBSA-N 0 0 171.199 2.306 10 30 AEEERN CC(C)(C)C#CCSCCCO 300777958 571923452 /nfs/dbraw/zinc/92/34/52/571923452.db2.gz RAYLCVMLGCYSCY-UHFFFAOYSA-N 0 0 186.320 2.152 10 30 AEEERN C=C(C)C[C@H]1C=CC(=O)C1 196141936 571923478 /nfs/dbraw/zinc/92/34/78/571923478.db2.gz NIVUHKUHZCZLDG-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN C=C1C[C@H]2CC(=O)C[C@]2(C)C1 196141757 571923635 /nfs/dbraw/zinc/92/36/35/571923635.db2.gz OJRPWVRQJZPUBA-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@H](SCC)[C@@H](O)CC 196159997 571923677 /nfs/dbraw/zinc/92/36/77/571923677.db2.gz ZZICVSMJMBOEIT-YUMQZZPRSA-N 0 0 160.282 2.065 10 30 AEEERN Cc1cccc(NC[C@@H](C)C#N)c1C#N 235476269 571923745 /nfs/dbraw/zinc/92/37/45/571923745.db2.gz YYMUZHXMBJRSPX-VIFPVBQESA-N 0 0 199.257 2.438 10 30 AEEERN C(#Cc1ccccc1)CC[C@@H]1CO1 216296600 571924327 /nfs/dbraw/zinc/92/43/27/571924327.db2.gz NGZPRLXLSANGOI-GFCCVEGCSA-N 0 0 172.227 2.217 10 30 AEEERN C=C/C=C/C(=O)CCCC 39381722 571924394 /nfs/dbraw/zinc/92/43/94/571924394.db2.gz QASSGVYKYRJLSQ-FNORWQNLSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC[C@H](O)c1ccnn1C(C)C 300782821 571924508 /nfs/dbraw/zinc/92/45/08/571924508.db2.gz SHZIQQAUARCRLI-JTQLQIEISA-N 0 0 180.251 2.074 10 30 AEEERN COCCCSC/C=C\CS 211721407 571924570 /nfs/dbraw/zinc/92/45/70/571924570.db2.gz PINQNMRTWWLECP-IHWYPQMZSA-N 0 0 192.349 2.242 10 30 AEEERN C#CCc1ccc(C)cc1 148120530 571924572 /nfs/dbraw/zinc/92/45/72/571924572.db2.gz AOIAURCMPYRFGB-UHFFFAOYSA-N 0 0 130.190 2.171 10 30 AEEERN C=C(C)C[C@H]1CC(=O)C=C1C 196141983 571925114 /nfs/dbraw/zinc/92/51/14/571925114.db2.gz YTOKKROLSXLVER-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CCO/C(C)=N/C(=O)c1ccccc1 39375115 571925344 /nfs/dbraw/zinc/92/53/44/571925344.db2.gz MWRTZEGNXOMGGC-FMIVXFBMSA-N 0 0 191.230 2.282 10 30 AEEERN C=C(C)C[C@@H]1CC(=O)C=C1C 196141987 571925428 /nfs/dbraw/zinc/92/54/28/571925428.db2.gz YTOKKROLSXLVER-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C#CCCCC(=O)[C@H](C)CSC 300782253 571925551 /nfs/dbraw/zinc/92/55/51/571925551.db2.gz VIFRHWLZPPZYSD-SECBINFHSA-N 0 0 184.304 2.358 10 30 AEEERN C#CCCCC(=O)[C@@H](C)CSC 300782256 571925955 /nfs/dbraw/zinc/92/59/55/571925955.db2.gz VIFRHWLZPPZYSD-VIFPVBQESA-N 0 0 184.304 2.358 10 30 AEEERN CCC(=O)[C@H](C)C[C@H](C)C#N 39385836 571926150 /nfs/dbraw/zinc/92/61/50/571926150.db2.gz SCIMGWUYBMTPNK-JGVFFNPUSA-N 0 0 153.225 2.151 10 30 AEEERN C=CCCC(=O)C=C(C)C 196145287 571926549 /nfs/dbraw/zinc/92/65/49/571926549.db2.gz VZQDTIGQWXDGOJ-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(CC)C(=O)CCC 39406688 571926311 /nfs/dbraw/zinc/92/63/11/571926311.db2.gz MBLXROIYHWIVRL-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C[C@H]1CC=CC[C@]1(C=O)CCC#N 39397617 571926383 /nfs/dbraw/zinc/92/63/83/571926383.db2.gz FDPZXYYCLAGPDL-WDEREUQCSA-N 0 0 177.247 2.462 10 30 AEEERN CCC(=O)[C@@H](C)C[C@H](C)C#N 39385835 571926435 /nfs/dbraw/zinc/92/64/35/571926435.db2.gz SCIMGWUYBMTPNK-YUMQZZPRSA-N 0 0 153.225 2.151 10 30 AEEERN C#CCCCCCC#N 39403203 571926635 /nfs/dbraw/zinc/92/66/35/571926635.db2.gz WFINKGLMXRXYOY-UHFFFAOYSA-N 0 0 121.183 2.094 10 30 AEEERN CCC1=C(C)C(=O)CC1 39399891 571926847 /nfs/dbraw/zinc/92/68/47/571926847.db2.gz ZDWYQVBGIKBGDA-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN CS/C(C)=C/C(=O)C(C)C 39398563 571926881 /nfs/dbraw/zinc/92/68/81/571926881.db2.gz HZPKKAJEHXFTAA-FNORWQNLSA-N 0 0 158.266 2.478 10 30 AEEERN C[C@@]12C=CC(=O)[C@@H](CCC1)C2 39393937 571926932 /nfs/dbraw/zinc/92/69/32/571926932.db2.gz AZZXTVOQQSPZQP-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)=C1C=CC(=O)S1 39407620 571926963 /nfs/dbraw/zinc/92/69/63/571926963.db2.gz BKMOKAWSZMLOJB-UHFFFAOYSA-N 0 0 140.207 2.110 10 30 AEEERN O=C1C=CCC[C@@H]2CCC[C@H]12 39403297 571927086 /nfs/dbraw/zinc/92/70/86/571927086.db2.gz XESXUFHKDWZBTQ-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN O=C1C=CCC[C@H]2CCC[C@H]12 39403296 571927205 /nfs/dbraw/zinc/92/72/05/571927205.db2.gz XESXUFHKDWZBTQ-IUCAKERBSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H]1CC=CC[C@@]1(C=O)CCC#N 39397618 571927258 /nfs/dbraw/zinc/92/72/58/571927258.db2.gz FDPZXYYCLAGPDL-MNOVXSKESA-N 0 0 177.247 2.462 10 30 AEEERN O=C1C=CCC[C@@H]2CCC[C@@H]12 39403295 571927510 /nfs/dbraw/zinc/92/75/10/571927510.db2.gz XESXUFHKDWZBTQ-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CCC[C@@H](F)C1 39435912 571929289 /nfs/dbraw/zinc/92/92/89/571929289.db2.gz HLRYUDQUFUUGRK-MRVPVSSYSA-N 0 0 142.173 2.024 10 30 AEEERN CC1=CCC[C@@]12CC=CC2=O 39402326 571927651 /nfs/dbraw/zinc/92/76/51/571927651.db2.gz HNDRXAXZDCMUIU-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@@H](C)Nc1cnnn1CCC 300795101 571927745 /nfs/dbraw/zinc/92/77/45/571927745.db2.gz CFSYIUGIRRNYSH-SECBINFHSA-N 0 0 194.282 2.065 10 30 AEEERN Cc1ccccc1C(C#N)C#N 39398651 571927790 /nfs/dbraw/zinc/92/77/90/571927790.db2.gz NZXWZXJLYONMSV-UHFFFAOYSA-N 0 0 156.188 2.126 10 30 AEEERN CC[C@@H](OC)[C@H](O)CC#CC(C)(C)C 300797175 571928423 /nfs/dbraw/zinc/92/84/23/571928423.db2.gz UVTKQCFZUVHTHV-GHMZBOCLSA-N 0 0 198.306 2.212 10 30 AEEERN CCCOC[C@@H](O)CC#CC(C)(C)C 300794155 571928426 /nfs/dbraw/zinc/92/84/26/571928426.db2.gz UMJKKWDUMXULEF-NSHDSACASA-N 0 0 198.306 2.214 10 30 AEEERN O=C1C=CCC[C@H]2CCC[C@@H]12 39403294 571927885 /nfs/dbraw/zinc/92/78/85/571927885.db2.gz XESXUFHKDWZBTQ-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN C=C1C(=C)C2C(=C)C(=C)C1CC2=O 39395043 571927907 /nfs/dbraw/zinc/92/79/07/571927907.db2.gz LUIBZNQWIUUZHF-UHFFFAOYSA-N 0 0 172.227 2.430 10 30 AEEERN CC(=O)C1=CCC[C@H](F)C1 39435910 571928432 /nfs/dbraw/zinc/92/84/32/571928432.db2.gz HLRYUDQUFUUGRK-QMMMGPOBSA-N 0 0 142.173 2.024 10 30 AEEERN C[C@H]1CC=CC[C@@]1(C=O)CCC#N 39397619 571927963 /nfs/dbraw/zinc/92/79/63/571927963.db2.gz FDPZXYYCLAGPDL-QWRGUYRKSA-N 0 0 177.247 2.462 10 30 AEEERN C[C@@H]1CC=CC[C@]1(C=O)CCC#N 39397616 571928051 /nfs/dbraw/zinc/92/80/51/571928051.db2.gz FDPZXYYCLAGPDL-GHMZBOCLSA-N 0 0 177.247 2.462 10 30 AEEERN CCC(CC)COC[C@@]1(C)CO1 300794658 571928387 /nfs/dbraw/zinc/92/83/87/571928387.db2.gz ZNDMNPUYFCPPSD-JTQLQIEISA-N 0 0 172.268 2.228 10 30 AEEERN O=C1C=CCC12CCCC2 39422851 571928409 /nfs/dbraw/zinc/92/84/09/571928409.db2.gz YHMKBJYUKDTUKV-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN CC/C=C1/C=CC(=O)CC1 39433775 571928469 /nfs/dbraw/zinc/92/84/69/571928469.db2.gz WCJSDDLCJBVPKY-BAQGIRSFSA-N 0 0 136.194 2.242 10 30 AEEERN N#C[C@@H](N)/C=C\c1cccc(Cl)c1 687681442 571928494 /nfs/dbraw/zinc/92/84/94/571928494.db2.gz JHGMDWLQIDBQRP-LWTINBJPSA-N 0 0 192.649 2.204 10 30 AEEERN CCC(CC)COC[C@]1(C)CO1 300794661 571928626 /nfs/dbraw/zinc/92/86/26/571928626.db2.gz ZNDMNPUYFCPPSD-SNVBAGLBSA-N 0 0 172.268 2.228 10 30 AEEERN CC(C)(C)[C@H]1CC=CC1=O 39424371 571928976 /nfs/dbraw/zinc/92/89/76/571928976.db2.gz IJDOBJXZFNYSNG-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN N#C[C@@H](N)/C=C\c1ccccc1Cl 687681445 571928676 /nfs/dbraw/zinc/92/86/76/571928676.db2.gz LVZKOVCGAHAFBF-UDIARPCQSA-N 0 0 192.649 2.204 10 30 AEEERN CCC/C=N/NC(C)(C)C 39416200 571928718 /nfs/dbraw/zinc/92/87/18/571928718.db2.gz DIWQACNWYKVPDG-VQHVLOKHSA-N 0 0 142.246 2.160 10 30 AEEERN C=C(C)COC1=CCCCC1=O 39424425 571928957 /nfs/dbraw/zinc/92/89/57/571928957.db2.gz JBGRXLJZRVOKKE-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN CC1=C2CCC[C@@H](O)[C@]2(C)CCC1=O 39435748 571928988 /nfs/dbraw/zinc/92/89/88/571928988.db2.gz AWLPPJIJSFSOPR-VXGBXAGGSA-N 0 0 194.274 2.217 10 30 AEEERN C/C=C/[C@@H](C)C(C)(C)C=O 39475041 571929323 /nfs/dbraw/zinc/92/93/23/571929323.db2.gz UPJIVEKXVHYBBK-HQZHTGGTSA-N 0 0 140.226 2.424 10 30 AEEERN N#C[C@H](N)/C=C\c1cccc(Cl)c1 687681443 571929420 /nfs/dbraw/zinc/92/94/20/571929420.db2.gz JHGMDWLQIDBQRP-UMCURTJPSA-N 0 0 192.649 2.204 10 30 AEEERN C=CC[C@H](C)Nc1cnnn1CCC 300795104 571929608 /nfs/dbraw/zinc/92/96/08/571929608.db2.gz CFSYIUGIRRNYSH-VIFPVBQESA-N 0 0 194.282 2.065 10 30 AEEERN NN=C1CCCCCCC1 39416236 571929617 /nfs/dbraw/zinc/92/96/17/571929617.db2.gz JSQFFKSZPVQEMZ-UHFFFAOYSA-N 0 0 140.230 2.045 10 30 AEEERN N#C[C@H](N)/C=C\c1ccc(Cl)cc1 687681441 571929697 /nfs/dbraw/zinc/92/96/97/571929697.db2.gz ISXUNWHZOITLRW-XICOKMJESA-N 0 0 192.649 2.204 10 30 AEEERN CCCOC[C@H](O)CC#CC(C)(C)C 300794152 571929796 /nfs/dbraw/zinc/92/97/96/571929796.db2.gz UMJKKWDUMXULEF-LLVKDONJSA-N 0 0 198.306 2.214 10 30 AEEERN CC(C)(C)[C@@H]1CC=CC1=O 39424370 571929800 /nfs/dbraw/zinc/92/98/00/571929800.db2.gz IJDOBJXZFNYSNG-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@@H](OC)[C@@H](O)CC#CC(C)(C)C 300797184 571929859 /nfs/dbraw/zinc/92/98/59/571929859.db2.gz UVTKQCFZUVHTHV-WDEREUQCSA-N 0 0 198.306 2.212 10 30 AEEERN CC1=C2CCC[C@@H](O)[C@@]2(C)CCC1=O 39435749 571929871 /nfs/dbraw/zinc/92/98/71/571929871.db2.gz AWLPPJIJSFSOPR-NEPJUHHUSA-N 0 0 194.274 2.217 10 30 AEEERN COCCCC(=O)CC#CC(C)(C)C 300794020 571929923 /nfs/dbraw/zinc/92/99/23/571929923.db2.gz ULAMLSPKQRIRJT-UHFFFAOYSA-N 0 0 196.290 2.422 10 30 AEEERN C=C(C)CN(C)C1=CC(=O)CCC1 39425056 571929925 /nfs/dbraw/zinc/92/99/25/571929925.db2.gz QPQLVLAUQNRDOB-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN CCCCSC(C)(C)C=O 39419475 571929987 /nfs/dbraw/zinc/92/99/87/571929987.db2.gz GNDHYFKHBMGSBE-UHFFFAOYSA-N 0 0 160.282 2.497 10 30 AEEERN C[C@H]1CC[C@H](C(C)(C)S)[C@H](O)C1 39436745 571930182 /nfs/dbraw/zinc/93/01/82/571930182.db2.gz BQQNGLUIXGYKQB-XHNCKOQMSA-N 0 0 188.336 2.492 10 30 AEEERN CC(C)(C=O)[C@@H]1C=CCC1 39475044 571930330 /nfs/dbraw/zinc/93/03/30/571930330.db2.gz SUJMMDJHEZJXAE-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@H](OC)[C@@H](O)CC#CC(C)(C)C 300797181 571930352 /nfs/dbraw/zinc/93/03/52/571930352.db2.gz UVTKQCFZUVHTHV-QWRGUYRKSA-N 0 0 198.306 2.212 10 30 AEEERN CC[C@@]1(C)CC(=O)C=C(C)O1 39439130 571930374 /nfs/dbraw/zinc/93/03/74/571930374.db2.gz DEVQCWQQEDYBOA-VIFPVBQESA-N 0 0 154.209 2.048 10 30 AEEERN CC(C)=CCN(C)C1=CC(=O)CC1 39425035 571930482 /nfs/dbraw/zinc/93/04/82/571930482.db2.gz JGNOYYBCVRWPIE-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN CC1(C)Cc2cc(/C=N/O)ccc2O1 10299025 571930566 /nfs/dbraw/zinc/93/05/66/571930566.db2.gz XRZGEZGDRKKRCS-KPKJPENVSA-N 0 0 191.230 2.208 10 30 AEEERN C[Si](C)(C)C#C[C@H](O)c1ccco1 196150134 571930524 /nfs/dbraw/zinc/93/05/24/571930524.db2.gz MQBATZGWFQUCPR-VIFPVBQESA-N 0 0 194.306 2.194 10 30 AEEERN C[C@@H]1CC[C@H](C(C)(C)S)[C@H](O)C1 39436743 571930558 /nfs/dbraw/zinc/93/05/58/571930558.db2.gz BQQNGLUIXGYKQB-HRDYMLBCSA-N 0 0 188.336 2.492 10 30 AEEERN C[C@@]12CCCC[C@H]1C=CC2=O 196149580 571930612 /nfs/dbraw/zinc/93/06/12/571930612.db2.gz WELYHRCHWYCSFJ-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=C2CCC[C@H](O)[C@]2(C)CCC1=O 39435747 571930642 /nfs/dbraw/zinc/93/06/42/571930642.db2.gz AWLPPJIJSFSOPR-NWDGAFQWSA-N 0 0 194.274 2.217 10 30 AEEERN CC[C@]1(C)CC(=O)C=C(C)O1 39439129 571930700 /nfs/dbraw/zinc/93/07/00/571930700.db2.gz DEVQCWQQEDYBOA-SECBINFHSA-N 0 0 154.209 2.048 10 30 AEEERN CC1(C)C(=O)C=C2CCC[C@H]21 196158440 571930771 /nfs/dbraw/zinc/93/07/71/571930771.db2.gz ZKZQTKYYIHDBRC-MRVPVSSYSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@@]1(C)CC(=O)C1(Cl)Cl 39432642 571930824 /nfs/dbraw/zinc/93/08/24/571930824.db2.gz RKWVHFKZRXJLIS-LURJTMIESA-N 0 0 179.046 2.325 10 30 AEEERN CCCC#CC1=CC(=O)CCC1 196158312 571930830 /nfs/dbraw/zinc/93/08/30/571930830.db2.gz YWQYTARPFKDABI-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN N#C[C@H](N)/C=C\c1ccccc1Cl 687681444 571930883 /nfs/dbraw/zinc/93/08/83/571930883.db2.gz LVZKOVCGAHAFBF-SSJHQANKSA-N 0 0 192.649 2.204 10 30 AEEERN CC1(C)C(=O)C=C2CCC[C@@H]21 196158445 571930896 /nfs/dbraw/zinc/93/08/96/571930896.db2.gz ZKZQTKYYIHDBRC-QMMMGPOBSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@]12CCCC[C@@H]1C=CC2=O 196149572 571930945 /nfs/dbraw/zinc/93/09/45/571930945.db2.gz WELYHRCHWYCSFJ-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(C=O)[C@H]1C=CCC1 39475043 571931034 /nfs/dbraw/zinc/93/10/34/571931034.db2.gz SUJMMDJHEZJXAE-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@]12CCCC[C@@H]1C=CC2=O 196149575 571931108 /nfs/dbraw/zinc/93/11/08/571931108.db2.gz WELYHRCHWYCSFJ-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C/C=C/[C@H](C)C(C)(C)C=O 39475042 571931173 /nfs/dbraw/zinc/93/11/73/571931173.db2.gz UPJIVEKXVHYBBK-GJIOHYHPSA-N 0 0 140.226 2.424 10 30 AEEERN C#CCCC[C@]1(O)CCCC[C@H]1OC 234747126 571931467 /nfs/dbraw/zinc/93/14/67/571931467.db2.gz DJOPSHCNPLOROF-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN N#C[C@@H](N)/C=C\c1ccc(Cl)cc1 687681440 571931653 /nfs/dbraw/zinc/93/16/53/571931653.db2.gz ISXUNWHZOITLRW-NWPZZWLHSA-N 0 0 192.649 2.204 10 30 AEEERN Cc1ccc(C=NN(C)C)c(C)c1 379401770 571939908 /nfs/dbraw/zinc/93/99/08/571939908.db2.gz LMSXBRNTUYARBL-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN CC[C@H](C)[C@H](CC#CC(C)(C)C)NN 300800227 571931781 /nfs/dbraw/zinc/93/17/81/571931781.db2.gz VGXBVRDLMODGQT-QWRGUYRKSA-N 0 0 196.338 2.304 10 30 AEEERN CC(C)N(C)c1ccc(C#N)c(C#N)c1 34617794 571931900 /nfs/dbraw/zinc/93/19/00/571931900.db2.gz XVAYEDJVAZUSQV-UHFFFAOYSA-N 0 0 199.257 2.275 10 30 AEEERN C=C/C(=C\SC)C(C)=O 204940523 571932333 /nfs/dbraw/zinc/93/23/33/571932333.db2.gz QBDZPTKFELUEME-FNORWQNLSA-N 0 0 142.223 2.008 10 30 AEEERN c1cnc2ccc([C@H]3CO3)cc2c1 39598881 571932376 /nfs/dbraw/zinc/93/23/76/571932376.db2.gz XTBSXSVLCKKBQE-LLVKDONJSA-N 0 0 171.199 2.306 10 30 AEEERN CCC1=C(C)C(=O)[C@H](C)[C@@H](C)O1 39612941 571932826 /nfs/dbraw/zinc/93/28/26/571932826.db2.gz CNHRMHNDQSMEGZ-HTRCEHHLSA-N 0 0 168.236 2.294 10 30 AEEERN CCC[C@H]1CCC=CC1=O 39476644 571932838 /nfs/dbraw/zinc/93/28/38/571932838.db2.gz MFOGNLYNVZWVTA-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CCC1=C(C)C(=O)[C@@H](C)[C@@H](C)O1 39612943 571932909 /nfs/dbraw/zinc/93/29/09/571932909.db2.gz CNHRMHNDQSMEGZ-POYBYMJQSA-N 0 0 168.236 2.294 10 30 AEEERN CC[C@@H](C)[C@H](CC#CC(C)(C)C)NN 300800224 571932924 /nfs/dbraw/zinc/93/29/24/571932924.db2.gz VGXBVRDLMODGQT-MNOVXSKESA-N 0 0 196.338 2.304 10 30 AEEERN CO[C@H](C(=O)C1=CCCCC1)C1CC1 234749234 571932986 /nfs/dbraw/zinc/93/29/86/571932986.db2.gz FAEBGLFZYZOPBI-LBPRGKRZSA-N 0 0 194.274 2.481 10 30 AEEERN CCCC[C@@H](CC#CC(C)(C)C)NN 300789492 571933674 /nfs/dbraw/zinc/93/36/74/571933674.db2.gz SVKXMNZXKJJVKH-NSHDSACASA-N 0 0 196.338 2.448 10 30 AEEERN c1ccc2nc([C@H]3CO3)ccc2c1 39598878 571933797 /nfs/dbraw/zinc/93/37/97/571933797.db2.gz ALQQOFUUKNSEKG-LLVKDONJSA-N 0 0 171.199 2.306 10 30 AEEERN CCC[C@@H]1CCC=CC1=O 39476642 571933808 /nfs/dbraw/zinc/93/38/08/571933808.db2.gz MFOGNLYNVZWVTA-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CN1C[C@@H](CC#N)c2ccccc21 39651630 571936894 /nfs/dbraw/zinc/93/68/94/571936894.db2.gz IZDUBAYTFSTIQQ-SECBINFHSA-N 0 0 172.231 2.134 10 30 AEEERN CCO[C@@](C#N)(CC)C1CCC1 322953420 571933939 /nfs/dbraw/zinc/93/39/39/571933939.db2.gz SBUXQYKOFQTHIW-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CCC1=C(C)C(=O)[C@H](C)[C@H](C)O1 39612937 571933981 /nfs/dbraw/zinc/93/39/81/571933981.db2.gz CNHRMHNDQSMEGZ-SVRRBLITSA-N 0 0 168.236 2.294 10 30 AEEERN CCC1=C(C)C(=O)[C@@H](C)[C@H](C)O1 39612939 571933968 /nfs/dbraw/zinc/93/39/68/571933968.db2.gz CNHRMHNDQSMEGZ-XPUUQOCRSA-N 0 0 168.236 2.294 10 30 AEEERN CC[C@H](C)[C@@H](CC#CC(C)(C)C)NN 300800230 571934110 /nfs/dbraw/zinc/93/41/10/571934110.db2.gz VGXBVRDLMODGQT-WDEREUQCSA-N 0 0 196.338 2.304 10 30 AEEERN c1cnc2ccc([C@@H]3CO3)cc2c1 39598879 571934135 /nfs/dbraw/zinc/93/41/35/571934135.db2.gz XTBSXSVLCKKBQE-NSHDSACASA-N 0 0 171.199 2.306 10 30 AEEERN c1ccc2nc([C@@H]3CO3)ccc2c1 39598876 571934498 /nfs/dbraw/zinc/93/44/98/571934498.db2.gz ALQQOFUUKNSEKG-NSHDSACASA-N 0 0 171.199 2.306 10 30 AEEERN CCCC[C@H](CC#CC(C)(C)C)NN 300789488 571934628 /nfs/dbraw/zinc/93/46/28/571934628.db2.gz SVKXMNZXKJJVKH-LLVKDONJSA-N 0 0 196.338 2.448 10 30 AEEERN CC[C@@H](C)[C@@H](CC#CC(C)(C)C)NN 300800222 571934808 /nfs/dbraw/zinc/93/48/08/571934808.db2.gz VGXBVRDLMODGQT-GHMZBOCLSA-N 0 0 196.338 2.304 10 30 AEEERN N#C[C@@H]1CNc2ccccc2S1 39646124 571934844 /nfs/dbraw/zinc/93/48/44/571934844.db2.gz XDBAPCCPNATDCA-SSDOTTSWSA-N 0 0 176.244 2.096 10 30 AEEERN Cc1cnccc1N=[N+]=[N-] 39643192 571935036 /nfs/dbraw/zinc/93/50/36/571935036.db2.gz SMEQYUMYGAHTCP-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN CCCCO[C@H]1C=CC(=O)[C@H](CC)O1 139176727 571935077 /nfs/dbraw/zinc/93/50/77/571935077.db2.gz FQLSTCHYHZIPQL-WDEREUQCSA-N 0 0 198.262 2.063 10 30 AEEERN CCCC[C@@H]1O[C@H](OCC)C=CC1=O 139172266 571935299 /nfs/dbraw/zinc/93/52/99/571935299.db2.gz OYRWCMASLRNSFD-QWRGUYRKSA-N 0 0 198.262 2.063 10 30 AEEERN C[C@@](Cl)(C#N)C[C@@](C)(Cl)C=O 39627132 571935389 /nfs/dbraw/zinc/93/53/89/571935389.db2.gz PAQHBJLXPLZURX-NKWVEPMBSA-N 0 0 194.061 2.094 10 30 AEEERN CCCC[C@H]1O[C@H](OCC)C=CC1=O 139172145 571935487 /nfs/dbraw/zinc/93/54/87/571935487.db2.gz OYRWCMASLRNSFD-MNOVXSKESA-N 0 0 198.262 2.063 10 30 AEEERN NC(=C1CCCC1=O)c1ccccc1 39644599 571935594 /nfs/dbraw/zinc/93/55/94/571935594.db2.gz RBOVTVKCZUDWLM-BENRWUELSA-N 0 0 187.242 2.109 10 30 AEEERN C[C@@](Cl)(C=O)C[C@@](C)(Cl)C#N 39627137 571935622 /nfs/dbraw/zinc/93/56/22/571935622.db2.gz PAQHBJLXPLZURX-RQJHMYQMSA-N 0 0 194.061 2.094 10 30 AEEERN CC(=O)/C=C1\C=C(C)C=C(C)O1 39651328 571935697 /nfs/dbraw/zinc/93/56/97/571935697.db2.gz GAECTORPNSWULG-UXBLZVDNSA-N 0 0 164.204 2.340 10 30 AEEERN C#CC[C@]1(C)C(=O)C=CC=C1C 39643256 571935702 /nfs/dbraw/zinc/93/57/02/571935702.db2.gz NZCQKCPYRHLYBE-NSHDSACASA-N 0 0 160.216 2.101 10 30 AEEERN C=CCCOc1ccc(N)cc1OC 711286426 571935978 /nfs/dbraw/zinc/93/59/78/571935978.db2.gz QIYIUBSPZGYLAN-UHFFFAOYSA-N 0 0 193.246 2.232 10 30 AEEERN C[C@](Cl)(C#N)C[C@@](C)(Cl)C=O 39627135 571935969 /nfs/dbraw/zinc/93/59/69/571935969.db2.gz PAQHBJLXPLZURX-RNFRBKRXSA-N 0 0 194.061 2.094 10 30 AEEERN N#CCCCCC1CCOCC1 300803573 571936155 /nfs/dbraw/zinc/93/61/55/571936155.db2.gz VXFPTPQWIKHHCU-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN CCCCO[C@H]1C=CC(=O)[C@@H](CC)O1 139176905 571936198 /nfs/dbraw/zinc/93/61/98/571936198.db2.gz FQLSTCHYHZIPQL-GHMZBOCLSA-N 0 0 198.262 2.063 10 30 AEEERN CCCCO[C@@H]1C=CC(=O)[C@@H](CC)O1 139176813 571936238 /nfs/dbraw/zinc/93/62/38/571936238.db2.gz FQLSTCHYHZIPQL-MNOVXSKESA-N 0 0 198.262 2.063 10 30 AEEERN COCCOCCCC1(C#N)CCC1 234752592 571936239 /nfs/dbraw/zinc/93/62/39/571936239.db2.gz BBAXATUGSPCANC-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN C#CCCCC(=O)[C@@H](OC)C(C)C 131997781 571939912 /nfs/dbraw/zinc/93/99/12/571939912.db2.gz XZUCLHZHRIGNEY-NSHDSACASA-N 0 0 182.263 2.030 10 30 AEEERN C[C@@](Cl)(C#N)C[C@](C)(Cl)C=O 39627134 571936548 /nfs/dbraw/zinc/93/65/48/571936548.db2.gz PAQHBJLXPLZURX-BQBZGAKWSA-N 0 0 194.061 2.094 10 30 AEEERN N#C[C@H]1CNc2ccccc2S1 39646123 571936802 /nfs/dbraw/zinc/93/68/02/571936802.db2.gz XDBAPCCPNATDCA-ZETCQYMHSA-N 0 0 176.244 2.096 10 30 AEEERN CCCOc1nccc(C#N)c1Cl 233248715 571937158 /nfs/dbraw/zinc/93/71/58/571937158.db2.gz XKDRIOQOORHUQX-UHFFFAOYSA-N 0 0 196.637 2.395 10 30 AEEERN C#CC[C@@]1(C)C(=O)C=CC=C1C 39643257 571937274 /nfs/dbraw/zinc/93/72/74/571937274.db2.gz NZCQKCPYRHLYBE-LLVKDONJSA-N 0 0 160.216 2.101 10 30 AEEERN CN1C[C@H](CC#N)c2ccccc21 39651629 571937321 /nfs/dbraw/zinc/93/73/21/571937321.db2.gz IZDUBAYTFSTIQQ-VIFPVBQESA-N 0 0 172.231 2.134 10 30 AEEERN COc1ccc(Cl)cc1C(C)=NN 308498299 571937472 /nfs/dbraw/zinc/93/74/72/571937472.db2.gz VENSMFIAOFHUGE-UHFFFAOYSA-N 0 0 198.653 2.031 10 30 AEEERN CCCCO[C@@H]1C=CC(=O)[C@H](CC)O1 139176612 571937590 /nfs/dbraw/zinc/93/75/90/571937590.db2.gz FQLSTCHYHZIPQL-QWRGUYRKSA-N 0 0 198.262 2.063 10 30 AEEERN CCCC[C@@H]1O[C@@H](OCC)C=CC1=O 139172022 571937637 /nfs/dbraw/zinc/93/76/37/571937637.db2.gz OYRWCMASLRNSFD-WDEREUQCSA-N 0 0 198.262 2.063 10 30 AEEERN CCC(=O)C[C@H](C)C(C)(C)C=O 34621969 571937715 /nfs/dbraw/zinc/93/77/15/571937715.db2.gz CELMTHLFGMRSMR-QMMMGPOBSA-N 0 0 170.252 2.217 10 30 AEEERN COCCOCCCCC(C)(C)C#N 234760780 571937896 /nfs/dbraw/zinc/93/78/96/571937896.db2.gz OZOCBJDCMIIVTE-UHFFFAOYSA-N 0 0 199.294 2.369 10 30 AEEERN CC(=NN(C)C)c1ccccc1F 308500315 571938188 /nfs/dbraw/zinc/93/81/88/571938188.db2.gz WIMXRKBMLJVYPM-UHFFFAOYSA-N 0 0 180.226 2.111 10 30 AEEERN C=C(C)CC(=O)[C@H](OC)C(C)C 132005944 571938301 /nfs/dbraw/zinc/93/83/01/571938301.db2.gz ZBBXFPFXSKAMSF-SNVBAGLBSA-N 0 0 170.252 2.193 10 30 AEEERN N#C[C@H](CO)CCC1CCCCC1 300805864 571938649 /nfs/dbraw/zinc/93/86/49/571938649.db2.gz WKLZKXSQNIRYPW-LLVKDONJSA-N 0 0 181.279 2.479 10 30 AEEERN CC#CC[C@H](O)/C=C/c1ccccc1 221217476 571938742 /nfs/dbraw/zinc/93/87/42/571938742.db2.gz YFMZUKLACXGZMY-NHAQELONSA-N 0 0 186.254 2.474 10 30 AEEERN Cc1ccc(F)cc1[C@H](C#N)N(C)C 234284905 571938771 /nfs/dbraw/zinc/93/87/71/571938771.db2.gz VBLSCHODVRZWEZ-NSHDSACASA-N 0 0 192.237 2.260 10 30 AEEERN C#CCCC[C@]1(O)CCC[C@@H](OC)C1 234759936 571939351 /nfs/dbraw/zinc/93/93/51/571939351.db2.gz YBRSPHLAHLNLJH-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CC[C@@H](O)c1ccoc1CC 234293765 571939385 /nfs/dbraw/zinc/93/93/85/571939385.db2.gz HCPHXJPKUOGPQZ-SNVBAGLBSA-N 0 0 178.231 2.289 10 30 AEEERN C#CCCC[C@@H]1C=CC(=O)CC1 207402564 571939440 /nfs/dbraw/zinc/93/94/40/571939440.db2.gz QFMLIDKPJZDZQU-SNVBAGLBSA-N 0 0 162.232 2.325 10 30 AEEERN O=C(CCS)Sc1ccccn1 39117371 571939621 /nfs/dbraw/zinc/93/96/21/571939621.db2.gz FKGXDFDIBPDKDF-UHFFFAOYSA-N 0 0 199.300 2.020 10 30 AEEERN C=CCN(C)c1ccc(C)cc1C#N 234277188 571939622 /nfs/dbraw/zinc/93/96/22/571939622.db2.gz XCPMTEKRXKIADH-UHFFFAOYSA-N 0 0 186.258 2.489 10 30 AEEERN COc1c(C)cc(C=NO)cc1C 308495283 571939660 /nfs/dbraw/zinc/93/96/60/571939660.db2.gz SZDBIYZPTNPKJD-UHFFFAOYSA-N 0 0 179.219 2.120 10 30 AEEERN CC(=NN)c1cc(C)c(C)cc1C 379403949 571939679 /nfs/dbraw/zinc/93/96/79/571939679.db2.gz QKWQYLUDOAJDLC-UHFFFAOYSA-N 0 0 176.263 2.295 10 30 AEEERN CCCOCCC(C)(C)C=O 317305957 571939841 /nfs/dbraw/zinc/93/98/41/571939841.db2.gz XXDRECFAFJDUIG-UHFFFAOYSA-N 0 0 158.241 2.028 10 30 AEEERN CCC1(CC)C[C@H](C=O)CCO1 75560143 571939886 /nfs/dbraw/zinc/93/98/86/571939886.db2.gz GPJRTVVHYBWGNH-SECBINFHSA-N 0 0 170.252 2.171 10 30 AEEERN C=C(C)[C@@H](O)c1ccoc1CC 234293591 571940203 /nfs/dbraw/zinc/94/02/03/571940203.db2.gz ZOQFTNRCYBROMH-SNVBAGLBSA-N 0 0 166.220 2.452 10 30 AEEERN C=CCCCOc1ncc(C)cc1N 235784696 571940252 /nfs/dbraw/zinc/94/02/52/571940252.db2.gz KQBPXNYBRRBJHZ-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN CC[C@H](C#N)C(=O)[C@H]1CC1(C)C 233972355 571940525 /nfs/dbraw/zinc/94/05/25/571940525.db2.gz RIWDYYWNUNHAJD-HTQZYQBOSA-N 0 0 165.236 2.151 10 30 AEEERN Cc1ccc(F)c([C@H](C#N)N(C)C)c1 234284829 571940542 /nfs/dbraw/zinc/94/05/42/571940542.db2.gz KYEVIQCTWFRGEM-NSHDSACASA-N 0 0 192.237 2.260 10 30 AEEERN C#CCCC[C@H]1C=CC(=O)CC1 207402518 571940561 /nfs/dbraw/zinc/94/05/61/571940561.db2.gz QFMLIDKPJZDZQU-JTQLQIEISA-N 0 0 162.232 2.325 10 30 AEEERN C(=NN1CCCCC1)c1ccco1 379404868 571940699 /nfs/dbraw/zinc/94/06/99/571940699.db2.gz SADNEYZDYUYOKW-UHFFFAOYSA-N 0 0 178.235 2.099 10 30 AEEERN C=C(C)CCc1nsc(N(C)C)n1 711305315 571940953 /nfs/dbraw/zinc/94/09/53/571940953.db2.gz ZFKSGZIKRSTAFC-UHFFFAOYSA-N 0 0 197.307 2.113 10 30 AEEERN O=CC1(CCOCC2CCC2)CC1 689426211 571941001 /nfs/dbraw/zinc/94/10/01/571941001.db2.gz OVDMOEBXKKUBML-UHFFFAOYSA-N 0 0 182.263 2.172 10 30 AEEERN CC/C(Cl)=C/C(C)=O 207410620 571941094 /nfs/dbraw/zinc/94/10/94/571941094.db2.gz FIGSQEDVUNFNBE-XQRVVYSFSA-N 0 0 132.590 2.108 10 30 AEEERN CN(C)[C@@H](C#N)c1cc(F)cc(F)c1 234284879 571941099 /nfs/dbraw/zinc/94/10/99/571941099.db2.gz PDMSEHHMYOCQCY-JTQLQIEISA-N 0 0 196.200 2.091 10 30 AEEERN C=CC[C@@H](NN)c1c(C)cccc1C 235784912 571941154 /nfs/dbraw/zinc/94/11/54/571941154.db2.gz YUSDNUBXODKZAO-LLVKDONJSA-N 0 0 190.290 2.384 10 30 AEEERN C#CCCCC(=O)[C@H](OC)C(C)C 131997972 571941183 /nfs/dbraw/zinc/94/11/83/571941183.db2.gz XZUCLHZHRIGNEY-LLVKDONJSA-N 0 0 182.263 2.030 10 30 AEEERN C=CCCCOc1ncc(N)cc1C 235783931 571941397 /nfs/dbraw/zinc/94/13/97/571941397.db2.gz PMQZZGYLFQGYSH-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN C#C[C@@H](OC(=O)OC)c1ccccc1 139311586 571941482 /nfs/dbraw/zinc/94/14/82/571941482.db2.gz PBDCLQMCYBASHE-SNVBAGLBSA-N 0 0 190.198 2.144 10 30 AEEERN C[C@@H](CC[C@H]1CO1)CC(F)F 687902188 571941774 /nfs/dbraw/zinc/94/17/74/571941774.db2.gz CMFUITWBRIWRFU-BQBZGAKWSA-N 0 0 164.195 2.457 10 30 AEEERN C#CCC[C@@H](O)[C@@H]1CCC(F)(F)C1 300837746 571941868 /nfs/dbraw/zinc/94/18/68/571941868.db2.gz GDTZVEWQSCGCKM-RKDXNWHRSA-N 0 0 188.217 2.196 10 30 AEEERN C=C(Cl)C[NH2+]CCCCCOC 234767371 571942121 /nfs/dbraw/zinc/94/21/21/571942121.db2.gz ZQQMISASSHIHRD-UHFFFAOYSA-N 0 0 191.702 2.145 10 30 AEEERN C=CC[C@@H](O)CCCC(F)F 687903625 571942256 /nfs/dbraw/zinc/94/22/56/571942256.db2.gz IXKXKOYSOQGQIK-SSDOTTSWSA-N 0 0 164.195 2.359 10 30 AEEERN C=CCOC(=O)Oc1occc1C 202161043 571942299 /nfs/dbraw/zinc/94/22/99/571942299.db2.gz AFFMBCAIPJECIQ-UHFFFAOYSA-N 0 0 182.175 2.289 10 30 AEEERN CCO[C@@H](C)C(=O)CC#CC(C)(C)C 300808047 571942331 /nfs/dbraw/zinc/94/23/31/571942331.db2.gz WVGUDHUWYHTFBA-JTQLQIEISA-N 0 0 196.290 2.420 10 30 AEEERN N#[N+][N-]c1c[n+]([O-])nc2ccccc12 687750171 571942699 /nfs/dbraw/zinc/94/26/99/571942699.db2.gz PGRUCGPDYXRYEN-UHFFFAOYSA-N 0 0 188.170 2.024 10 30 AEEERN C#C[C@H](C)Nc1ccc(COC)cc1 300828636 571942788 /nfs/dbraw/zinc/94/27/88/571942788.db2.gz BYGDJNPFTBRVPG-JTQLQIEISA-N 0 0 189.258 2.267 10 30 AEEERN C=CC[C@@]1(O)CCCC12CCOCC2 300882138 571942938 /nfs/dbraw/zinc/94/29/38/571942938.db2.gz GHHBLXLEVBKGST-GFCCVEGCSA-N 0 0 196.290 2.274 10 30 AEEERN C[C@H](CC[C@H]1CO1)CC(F)F 687902202 571942947 /nfs/dbraw/zinc/94/29/47/571942947.db2.gz CMFUITWBRIWRFU-RQJHMYQMSA-N 0 0 164.195 2.457 10 30 AEEERN C=CC[C@H](O)CCCC(F)F 687903629 571943010 /nfs/dbraw/zinc/94/30/10/571943010.db2.gz IXKXKOYSOQGQIK-ZETCQYMHSA-N 0 0 164.195 2.359 10 30 AEEERN C=CCCCCC[C@@H](O)COC 234774746 571943192 /nfs/dbraw/zinc/94/31/92/571943192.db2.gz XYBOYTJPTPVTQY-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN CCO[C@H](C)C(=O)CC#CC(C)(C)C 300808048 571943196 /nfs/dbraw/zinc/94/31/96/571943196.db2.gz WVGUDHUWYHTFBA-SNVBAGLBSA-N 0 0 196.290 2.420 10 30 AEEERN FC(F)CCCC[C@H]1CO1 687903586 571943176 /nfs/dbraw/zinc/94/31/76/571943176.db2.gz ISIYVUHYXLOCAV-LURJTMIESA-N 0 0 150.168 2.211 10 30 AEEERN C[C@@H](CC[C@@H]1CO1)CC(F)F 687902193 571943180 /nfs/dbraw/zinc/94/31/80/571943180.db2.gz CMFUITWBRIWRFU-NKWVEPMBSA-N 0 0 164.195 2.457 10 30 AEEERN CC(C)(C)C#CCNCC(F)(F)F 300801270 571943507 /nfs/dbraw/zinc/94/35/07/571943507.db2.gz VMBOPRLABIOGDR-UHFFFAOYSA-N 0 0 193.212 2.188 10 30 AEEERN C#CCC[C@@H](O)[C@H]1CCC(F)(F)C1 300837744 571943685 /nfs/dbraw/zinc/94/36/85/571943685.db2.gz GDTZVEWQSCGCKM-DTWKUNHWSA-N 0 0 188.217 2.196 10 30 AEEERN C#CC(=O)[C@H](C)CCCC 300861477 571943808 /nfs/dbraw/zinc/94/38/08/571943808.db2.gz CNEDDIGWQGYUER-MRVPVSSYSA-N 0 0 138.210 2.015 10 30 AEEERN FC(F)CCCC[C@@H]1CO1 687903592 571944249 /nfs/dbraw/zinc/94/42/49/571944249.db2.gz ISIYVUHYXLOCAV-ZCFIWIBFSA-N 0 0 150.168 2.211 10 30 AEEERN CC1=CC[C@]2(C)C=CC(=O)[C@@H]12 196417265 571946534 /nfs/dbraw/zinc/94/65/34/571946534.db2.gz MQGYRSNDULHOCT-NXEZZACHSA-N 0 0 148.205 2.098 10 30 AEEERN CC#CC[C@H](O)[C@@H]1CCC(F)(F)C1 300839652 571944088 /nfs/dbraw/zinc/94/40/88/571944088.db2.gz GLSVFSQEQHLUBG-BDAKNGLRSA-N 0 0 188.217 2.196 10 30 AEEERN C[C@H](CC[C@@H]1CO1)CC(F)F 687902195 571944212 /nfs/dbraw/zinc/94/42/12/571944212.db2.gz CMFUITWBRIWRFU-RNFRBKRXSA-N 0 0 164.195 2.457 10 30 AEEERN C[C@@H](C#CCCO)[Si](C)(C)C 196418817 571946537 /nfs/dbraw/zinc/94/65/37/571946537.db2.gz SLKUOPRNHPQALD-VIFPVBQESA-N 0 0 170.328 2.101 10 30 AEEERN C=CCCCOc1ccc(C)nc1N 711318423 571944371 /nfs/dbraw/zinc/94/43/71/571944371.db2.gz ACFFMMXYYQJICE-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN C/C=C\C(=O)C(C)(C)CC(C)=O 216836287 571944412 /nfs/dbraw/zinc/94/44/12/571944412.db2.gz IJEIRPHRXIDBRC-WAYWQWQTSA-N 0 0 168.236 2.137 10 30 AEEERN C[C@H](C#CCCO)[Si](C)(C)C 196418828 571944522 /nfs/dbraw/zinc/94/45/22/571944522.db2.gz SLKUOPRNHPQALD-SECBINFHSA-N 0 0 170.328 2.101 10 30 AEEERN C=CCn1ccc2ncnc(Cl)c21 140509995 571944548 /nfs/dbraw/zinc/94/45/48/571944548.db2.gz CVQMKKOWUXXCKF-UHFFFAOYSA-N 0 0 193.637 2.271 10 30 AEEERN CC(=O)C#CC1=CCCCC1 196409319 571944591 /nfs/dbraw/zinc/94/45/91/571944591.db2.gz AODUICJFASVKKC-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN CC1=CC[C@@]2(C)C=CC(=O)[C@@H]12 196417253 571944663 /nfs/dbraw/zinc/94/46/63/571944663.db2.gz MQGYRSNDULHOCT-ZJUUUORDSA-N 0 0 148.205 2.098 10 30 AEEERN C=C1CC[C@@]2(C)CCC(=O)[C@@H]12 196417321 571944696 /nfs/dbraw/zinc/94/46/96/571944696.db2.gz VZPRMYITOYSZTH-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(C)C#CCC(=O)[C@@H]1CCOC1 300809462 571944825 /nfs/dbraw/zinc/94/48/25/571944825.db2.gz XBXLDXYIRMXLAR-SNVBAGLBSA-N 0 0 194.274 2.032 10 30 AEEERN C=CCCCCNC(=O)OCC 39139389 571944842 /nfs/dbraw/zinc/94/48/42/571944842.db2.gz XYTRCCSWTJVRMJ-UHFFFAOYSA-N 0 0 171.240 2.089 10 30 AEEERN C[C@@H](C#N)N1CC[C@H](C)C2(CCC2)C1 334961193 571944979 /nfs/dbraw/zinc/94/49/79/571944979.db2.gz DYWLMNCRCCIKPO-QWRGUYRKSA-N 0 0 192.306 2.411 10 30 AEEERN C=C1CC[C@]2(C)CCC(=O)[C@H]12 196417351 571944999 /nfs/dbraw/zinc/94/49/99/571944999.db2.gz VZPRMYITOYSZTH-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN O=C1C=C[C@H]2Cc3ccccc3[C@H]12 196401469 571945073 /nfs/dbraw/zinc/94/50/73/571945073.db2.gz CDFBXFVFLDRAQC-JOYOIKCWSA-N 0 0 170.211 2.081 10 30 AEEERN C[C@H](C#N)N1CCC(C)(C2CC2)CC1 335726008 571945054 /nfs/dbraw/zinc/94/50/54/571945054.db2.gz CERXDKDCVCHSRO-SNVBAGLBSA-N 0 0 192.306 2.411 10 30 AEEERN CC(=O)C=C1C=CC=CC=C1 196412267 571945203 /nfs/dbraw/zinc/94/52/03/571945203.db2.gz DRTZVBTZYGVAAZ-UHFFFAOYSA-N 0 0 146.189 2.184 10 30 AEEERN O=C1C=C[C@@H]2Cc3ccccc3[C@@H]12 196401443 571945218 /nfs/dbraw/zinc/94/52/18/571945218.db2.gz CDFBXFVFLDRAQC-SKDRFNHKSA-N 0 0 170.211 2.081 10 30 AEEERN C=C=CCCC[C@H](O)C=C 196403496 571945506 /nfs/dbraw/zinc/94/55/06/571945506.db2.gz QWBNYSMWWUYIOY-SECBINFHSA-N 0 0 138.210 2.045 10 30 AEEERN C[C@H]1CCN([C@H](C)C#N)CC12CCC2 334961194 571945555 /nfs/dbraw/zinc/94/55/55/571945555.db2.gz DYWLMNCRCCIKPO-WDEREUQCSA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H](C)C2(CCC2)C1 334961192 571945626 /nfs/dbraw/zinc/94/56/26/571945626.db2.gz DYWLMNCRCCIKPO-MNOVXSKESA-N 0 0 192.306 2.411 10 30 AEEERN C=C1CC[C@@]2(C)CCC(=O)[C@H]12 196417342 571945707 /nfs/dbraw/zinc/94/57/07/571945707.db2.gz VZPRMYITOYSZTH-UWVGGRQHSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=CC[C@]2(C)C=CC(=O)[C@H]12 196417240 571945714 /nfs/dbraw/zinc/94/57/14/571945714.db2.gz MQGYRSNDULHOCT-VHSXEESVSA-N 0 0 148.205 2.098 10 30 AEEERN CC1=CC[C@@]2(C)C=CC(=O)[C@H]12 196417229 571945855 /nfs/dbraw/zinc/94/58/55/571945855.db2.gz MQGYRSNDULHOCT-UWVGGRQHSA-N 0 0 148.205 2.098 10 30 AEEERN C=CCC1C=COC1=S 196408720 571945970 /nfs/dbraw/zinc/94/59/70/571945970.db2.gz MPENLQUCEKJZQN-UHFFFAOYSA-N 0 0 140.207 2.297 10 30 AEEERN C[C@H](C#N)N1CC[C@@H](C)C2(CCC2)C1 334961191 571946511 /nfs/dbraw/zinc/94/65/11/571946511.db2.gz DYWLMNCRCCIKPO-GHMZBOCLSA-N 0 0 192.306 2.411 10 30 AEEERN O=C1CCCC[C@@H]2CCC=C12 196409587 571946271 /nfs/dbraw/zinc/94/62/71/571946271.db2.gz CSGGDMIEOXJSDS-MRVPVSSYSA-N 0 0 150.221 2.466 10 30 AEEERN O=C1C=C[C@H]2Cc3ccccc3[C@@H]12 196401451 571946341 /nfs/dbraw/zinc/94/63/41/571946341.db2.gz CDFBXFVFLDRAQC-CABZTGNLSA-N 0 0 170.211 2.081 10 30 AEEERN O=C1C=C[C@@H]2Cc3ccccc3[C@H]12 196401461 571946353 /nfs/dbraw/zinc/94/63/53/571946353.db2.gz CDFBXFVFLDRAQC-BXKDBHETSA-N 0 0 170.211 2.081 10 30 AEEERN C=C=CCCC[C@@H](O)C=C 196403484 571946412 /nfs/dbraw/zinc/94/64/12/571946412.db2.gz QWBNYSMWWUYIOY-VIFPVBQESA-N 0 0 138.210 2.045 10 30 AEEERN O=C1CCCC[C@H]2CCC=C12 196409577 571946504 /nfs/dbraw/zinc/94/65/04/571946504.db2.gz CSGGDMIEOXJSDS-QMMMGPOBSA-N 0 0 150.221 2.466 10 30 AEEERN CC#CC[C@H](O)[C@H]1CCC(F)(F)C1 300839657 571946632 /nfs/dbraw/zinc/94/66/32/571946632.db2.gz GLSVFSQEQHLUBG-IUCAKERBSA-N 0 0 188.217 2.196 10 30 AEEERN CCC(=O)NC1(C#N)CCCCCC1 40221548 571946682 /nfs/dbraw/zinc/94/66/82/571946682.db2.gz LGQPMGJIZWOBJR-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN C=C1CC[C@]2(C)CCC(=O)[C@@H]12 196417333 571946739 /nfs/dbraw/zinc/94/67/39/571946739.db2.gz VZPRMYITOYSZTH-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(C#N)N1CCC[C@@H](C2CC2)C1 334407598 571946841 /nfs/dbraw/zinc/94/68/41/571946841.db2.gz IJSKCMZBYRDNJM-LLVKDONJSA-N 0 0 192.306 2.411 10 30 AEEERN CC=C=CC(=O)c1ccccc1 196409371 571946867 /nfs/dbraw/zinc/94/68/67/571946867.db2.gz SVYKHMGKFODLFG-UHFFFAOYSA-N 0 0 158.200 2.283 10 30 AEEERN C=CCCCOc1cccc(O)c1N 711323466 571947050 /nfs/dbraw/zinc/94/70/50/571947050.db2.gz XHLVBZBKMMMHHA-UHFFFAOYSA-N 0 0 193.246 2.319 10 30 AEEERN CC#CCCC(=O)[C@H](OCC)C(C)C 132030628 571947214 /nfs/dbraw/zinc/94/72/14/571947214.db2.gz CTKMIPSAWNOATQ-GFCCVEGCSA-N 0 0 196.290 2.420 10 30 AEEERN ON=Cc1cccc(C(F)F)c1 379330263 571947321 /nfs/dbraw/zinc/94/73/21/571947321.db2.gz XEYBRQJLLRDHJG-UHFFFAOYSA-N 0 0 171.146 2.432 10 30 AEEERN N#C[C@@]1(C/C=C\Cl)CCCOC1 379330549 571947391 /nfs/dbraw/zinc/94/73/91/571947391.db2.gz BVVBABBDSWKJLE-AMFUIUNQSA-N 0 0 185.654 2.449 10 30 AEEERN N#C[C@]1(C/C=C\Cl)CCCOC1 379330550 571947401 /nfs/dbraw/zinc/94/74/01/571947401.db2.gz BVVBABBDSWKJLE-RKANRPJGSA-N 0 0 185.654 2.449 10 30 AEEERN CC(C)(C#N)N1CCC[C@H](C2CC2)C1 334407599 571947507 /nfs/dbraw/zinc/94/75/07/571947507.db2.gz IJSKCMZBYRDNJM-NSHDSACASA-N 0 0 192.306 2.411 10 30 AEEERN CC#CCC(=O)[C@H](OCC)C(C)C 132025212 571947762 /nfs/dbraw/zinc/94/77/62/571947762.db2.gz QPFPROWMQVHBDS-LLVKDONJSA-N 0 0 182.263 2.030 10 30 AEEERN CCOc1ccc(OCCC=O)cc1 11569669 571947799 /nfs/dbraw/zinc/94/77/99/571947799.db2.gz CGPGOANBNNAXIH-UHFFFAOYSA-N 0 0 194.230 2.053 10 30 AEEERN C#C[C@@H](C)Nc1ccc(COC)cc1 300828637 571947965 /nfs/dbraw/zinc/94/79/65/571947965.db2.gz BYGDJNPFTBRVPG-SNVBAGLBSA-N 0 0 189.258 2.267 10 30 AEEERN CCCOCC(=O)CC#CC(C)(C)C 300809468 571948062 /nfs/dbraw/zinc/94/80/62/571948062.db2.gz XBYZWLGTLIAXHY-UHFFFAOYSA-N 0 0 196.290 2.422 10 30 AEEERN CC1=C2CCCC[C@]2(C)C[C@H](O)C1=O 140532259 571948088 /nfs/dbraw/zinc/94/80/88/571948088.db2.gz WGNWMIKNLRHBLF-CMPLNLGQSA-N 0 0 194.274 2.217 10 30 AEEERN CC1(C#CC2(C)C=C2)C=C1 196411907 571948152 /nfs/dbraw/zinc/94/81/52/571948152.db2.gz GNRUGGSUPUVVPM-UHFFFAOYSA-N 0 0 130.190 2.142 10 30 AEEERN O=C1C=C2CCC[C@@H](C1)C2 196411013 571948227 /nfs/dbraw/zinc/94/82/27/571948227.db2.gz JWMJEGFBBLEZAD-MRVPVSSYSA-N 0 0 136.194 2.076 10 30 AEEERN C#CC(=O)[C@@H](C)CCCC 300861480 571948416 /nfs/dbraw/zinc/94/84/16/571948416.db2.gz CNEDDIGWQGYUER-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN CNN=C(C)c1cc(C)sc1C 379335218 571948512 /nfs/dbraw/zinc/94/85/12/571948512.db2.gz OBXMRNRLLKZHTC-UHFFFAOYSA-N 0 0 182.292 2.308 10 30 AEEERN CC1=C2CCCC[C@]2(C)C[C@@H](O)C1=O 140532610 571948526 /nfs/dbraw/zinc/94/85/26/571948526.db2.gz WGNWMIKNLRHBLF-ZYHUDNBSSA-N 0 0 194.274 2.217 10 30 AEEERN CC#CCCC(=O)[C@@H](OCC)C(C)C 132030396 571948676 /nfs/dbraw/zinc/94/86/76/571948676.db2.gz CTKMIPSAWNOATQ-LBPRGKRZSA-N 0 0 196.290 2.420 10 30 AEEERN C/C=C\CC1(C#N)CCOCC1 379330499 571948826 /nfs/dbraw/zinc/94/88/26/571948826.db2.gz BFZKWZZZBIDRQR-IHWYPQMZSA-N 0 0 165.236 2.273 10 30 AEEERN C=C[C@H](CCC=O)C(=C)C 140530025 571949044 /nfs/dbraw/zinc/94/90/44/571949044.db2.gz WQUYNFCEZAEZJF-SECBINFHSA-N 0 0 138.210 2.344 10 30 AEEERN CC#CCC(=O)[C@@H](OCC)C(C)C 132024994 571949354 /nfs/dbraw/zinc/94/93/54/571949354.db2.gz QPFPROWMQVHBDS-NSHDSACASA-N 0 0 182.263 2.030 10 30 AEEERN CC1=C2CCCC[C@@]2(C)C[C@H](O)C1=O 140532437 571949434 /nfs/dbraw/zinc/94/94/34/571949434.db2.gz WGNWMIKNLRHBLF-JQWIXIFHSA-N 0 0 194.274 2.217 10 30 AEEERN Cc1cc(C)c(C)c(OCC=O)c1 11569720 571949454 /nfs/dbraw/zinc/94/94/54/571949454.db2.gz IBQNNUDDEFHPKP-UHFFFAOYSA-N 0 0 178.231 2.190 10 30 AEEERN CSc1ccccc1C(C)=NN 379329047 571949460 /nfs/dbraw/zinc/94/94/60/571949460.db2.gz SFNDKJMFONAZRK-UHFFFAOYSA-N 0 0 180.276 2.091 10 30 AEEERN CO[C@H](C)CC(=O)CC#CC(C)(C)C 300811597 571949551 /nfs/dbraw/zinc/94/95/51/571949551.db2.gz XMLMSSLRTNCVGN-SNVBAGLBSA-N 0 0 196.290 2.420 10 30 AEEERN C/C=C/C(=O)C1=CCCCCO1 139505263 571949764 /nfs/dbraw/zinc/94/97/64/571949764.db2.gz GSGQPWKGGISFRY-QHHAFSJGSA-N 0 0 166.220 2.216 10 30 AEEERN CC1=CC(C)(C)C(=O)C(C)=C1 139590760 571949777 /nfs/dbraw/zinc/94/97/77/571949777.db2.gz PROAGYMMFBJNGB-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@H](C)[C@@H](O)c1ccc(C)o1 139504646 571949833 /nfs/dbraw/zinc/94/98/33/571949833.db2.gz FZBYFOWONBGGLM-OIBJUYFYSA-N 0 0 166.220 2.444 10 30 AEEERN O=CC[C@@H](C[N+](=O)[O-])C1CCCCC1 687751740 571949892 /nfs/dbraw/zinc/94/98/92/571949892.db2.gz BFTZJCFAKCCCFP-JTQLQIEISA-N 0 0 199.250 2.049 10 30 AEEERN CC1=C2CCCC[C@@]2(C)C[C@@H](O)C1=O 140532774 571949923 /nfs/dbraw/zinc/94/99/23/571949923.db2.gz WGNWMIKNLRHBLF-PWSUYJOCSA-N 0 0 194.274 2.217 10 30 AEEERN C=C(Cl)CNCC#CC(C)(C)C 300821035 571950184 /nfs/dbraw/zinc/95/01/84/571950184.db2.gz ZFSPMZJJBHVHED-UHFFFAOYSA-N 0 0 185.698 2.378 10 30 AEEERN C=CC[C@H](O)/C=C/C(F)(F)F 139527063 571950386 /nfs/dbraw/zinc/95/03/86/571950386.db2.gz HBWLSVQOLMKZFS-OVCGOVNKSA-N 0 0 166.142 2.042 10 30 AEEERN C=CC[C@@H](O)/C=C/C(F)(F)F 139527210 571950609 /nfs/dbraw/zinc/95/06/09/571950609.db2.gz HBWLSVQOLMKZFS-BMMSZFGTSA-N 0 0 166.142 2.042 10 30 AEEERN C=CCCC[C@@H](N)C(F)(F)F 79472874 571950712 /nfs/dbraw/zinc/95/07/12/571950712.db2.gz YYVTUJAUXPNTNB-ZCFIWIBFSA-N 0 0 167.174 2.232 10 30 AEEERN O=CC[C@H](C[N+](=O)[O-])C1CCCCC1 687751741 571950777 /nfs/dbraw/zinc/95/07/77/571950777.db2.gz BFTZJCFAKCCCFP-SNVBAGLBSA-N 0 0 199.250 2.049 10 30 AEEERN C=CCCC[C@H](N)C(F)(F)F 79472870 571950815 /nfs/dbraw/zinc/95/08/15/571950815.db2.gz YYVTUJAUXPNTNB-LURJTMIESA-N 0 0 167.174 2.232 10 30 AEEERN CCc1c(N)cc(C#N)cc1Cl 83159834 571951224 /nfs/dbraw/zinc/95/12/24/571951224.db2.gz CSVKYTKLTKGZFH-UHFFFAOYSA-N 0 0 180.638 2.356 10 30 AEEERN C/N=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 687751552 571951266 /nfs/dbraw/zinc/95/12/66/571951266.db2.gz YWKWLWKJEPWPKW-NBPAHAMQSA-N 0 0 179.263 2.082 10 30 AEEERN N#CCC1(c2ccc(F)cc2)COC1 40443046 571951297 /nfs/dbraw/zinc/95/12/97/571951297.db2.gz SHZWUJXDVMJVJM-UHFFFAOYSA-N 0 0 191.205 2.007 10 30 AEEERN CC[C@@H](C)/C(Cl)=N/O 233977411 571951439 /nfs/dbraw/zinc/95/14/39/571951439.db2.gz GPPYRMAITPCSGT-JGTYQTGESA-N 0 0 135.594 2.059 10 30 AEEERN C=C[C@@](O)(CC)CCC 139568974 571951833 /nfs/dbraw/zinc/95/18/33/571951833.db2.gz TWJPSVKZIDNJRC-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN CC(=O)C1=COc2ccccc2C1 139557278 571951868 /nfs/dbraw/zinc/95/18/68/571951868.db2.gz IGIXQOJAYOMSCH-UHFFFAOYSA-N 0 0 174.199 2.094 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1ccc(C)o1 139504798 571951893 /nfs/dbraw/zinc/95/18/93/571951893.db2.gz FZBYFOWONBGGLM-XCBNKYQSSA-N 0 0 166.220 2.444 10 30 AEEERN CC[C@H](C=O)[C@H]1CCCC[C@H]1[N+](=O)[O-] 687751806 571952107 /nfs/dbraw/zinc/95/21/07/571952107.db2.gz NMYIYFOQUWZBNL-OPRDCNLKSA-N 0 0 199.250 2.047 10 30 AEEERN CO[C@@H](C)CC(=O)CC#CC(C)(C)C 300811595 571952195 /nfs/dbraw/zinc/95/21/95/571952195.db2.gz XMLMSSLRTNCVGN-JTQLQIEISA-N 0 0 196.290 2.420 10 30 AEEERN C/C=C\C(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 687751640 571952241 /nfs/dbraw/zinc/95/22/41/571952241.db2.gz LPWVXYJPGRUXBH-ONLZYIPISA-N 0 0 162.232 2.344 10 30 AEEERN N#CCC1(c2cccc(F)c2)COC1 40443047 571952244 /nfs/dbraw/zinc/95/22/44/571952244.db2.gz XWBNUKIBVUFRNK-UHFFFAOYSA-N 0 0 191.205 2.007 10 30 AEEERN CCC(O)=CC(=O)C(C)C 687751670 571952489 /nfs/dbraw/zinc/95/24/89/571952489.db2.gz QMXBOKMIPSCSOF-FNORWQNLSA-N 0 0 142.198 2.063 10 30 AEEERN C=C[C@](O)(CC)CCC 139568868 571952494 /nfs/dbraw/zinc/95/24/94/571952494.db2.gz TWJPSVKZIDNJRC-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN C[C@@H](OCCS)C(C)(C)C 31555324 571952800 /nfs/dbraw/zinc/95/28/00/571952800.db2.gz BAORTNFUUYRNKI-SSDOTTSWSA-N 0 0 162.298 2.367 10 30 AEEERN C#CC(=O)C[C@@H](C)c1ccc(C)o1 139513645 571952844 /nfs/dbraw/zinc/95/28/44/571952844.db2.gz KOMYKEHQGLLJLA-MRVPVSSYSA-N 0 0 176.215 2.284 10 30 AEEERN CCO/N=C/c1cccs1 139500624 571952845 /nfs/dbraw/zinc/95/28/45/571952845.db2.gz ZEAMAXXOFDKDIO-SOFGYWHQSA-N 0 0 155.222 2.119 10 30 AEEERN C#CC(=O)C[C@H](C)c1ccc(C)o1 139513543 571952850 /nfs/dbraw/zinc/95/28/50/571952850.db2.gz KOMYKEHQGLLJLA-QMMMGPOBSA-N 0 0 176.215 2.284 10 30 AEEERN C=C=C(C)C(=O)CCC 139623533 571953383 /nfs/dbraw/zinc/95/33/83/571953383.db2.gz VDPVSWQHROIRMV-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN C=C1CN(C(=O)OC(C)(C)C)CC1=C 139696830 571953726 /nfs/dbraw/zinc/95/37/26/571953726.db2.gz GHBBWUWJVDHCLX-UHFFFAOYSA-N 0 0 195.262 2.350 10 30 AEEERN CC#CCCOc1ccc(C)c(N)c1 300888888 571954776 /nfs/dbraw/zinc/95/47/76/571954776.db2.gz OESARGFZQKVWHI-UHFFFAOYSA-N 0 0 189.258 2.369 10 30 AEEERN C=CCCOCCC=C 34515240 571956680 /nfs/dbraw/zinc/95/66/80/571956680.db2.gz YXZMHODJXOQERH-UHFFFAOYSA-N 0 0 126.199 2.155 10 30 AEEERN O=C1C=CC[C@H]1C1CC=CC1 139679263 571955110 /nfs/dbraw/zinc/95/51/10/571955110.db2.gz IBGPFMBWZRRVRC-VIFPVBQESA-N 0 0 148.205 2.098 10 30 AEEERN C=CC[C@@H](C#N)CC[C@@](C)(C#N)CO 139653493 571955204 /nfs/dbraw/zinc/95/52/04/571955204.db2.gz OFHFIHVBXZXAHZ-MNOVXSKESA-N 0 0 192.262 2.005 10 30 AEEERN C/C=C\C[C@H](C)[C@@H](OC)[C@@H](C)C=O 687758757 571955637 /nfs/dbraw/zinc/95/56/37/571955637.db2.gz VEXGMZWYNCVISK-CMMBHTCHSA-N 0 0 184.279 2.439 10 30 AEEERN C[C@]12CCCC[C@@H]1CC(O)=C(C=O)C2 31720607 571955963 /nfs/dbraw/zinc/95/59/63/571955963.db2.gz DLOJNCAGHRZILL-CKYFFXLPSA-N 0 0 194.274 2.361 10 30 AEEERN CO[C@@H](C(=O)C1=CCCCC1)C1CC1 234788483 571956597 /nfs/dbraw/zinc/95/65/97/571956597.db2.gz FAEBGLFZYZOPBI-GFCCVEGCSA-N 0 0 194.274 2.481 10 30 AEEERN CCN(C)N=C1CCc2ccsc21 308506838 571959257 /nfs/dbraw/zinc/95/92/57/571959257.db2.gz ZPEHSTKZBGXDDL-UHFFFAOYSA-N 0 0 194.303 2.350 10 30 AEEERN OCC/N=C/c1cccc2ccccc12 113909009 571957254 /nfs/dbraw/zinc/95/72/54/571957254.db2.gz CMLXBIFLKLHORB-GXDHUFHOSA-N 0 0 199.253 2.251 10 30 AEEERN COc1ccc(C)nc1C(C)(C)C#N 214600046 571959771 /nfs/dbraw/zinc/95/97/71/571959771.db2.gz XLBHQCYTUFFHEX-UHFFFAOYSA-N 0 0 190.246 2.200 10 30 AEEERN Cc1cccc(O[C@@H](C)C#N)c1 11834619 571957887 /nfs/dbraw/zinc/95/78/87/571957887.db2.gz YLJICFIJRZTAII-VIFPVBQESA-N 0 0 161.204 2.286 10 30 AEEERN C[C@@](O)(CC=O)CCC1CCCC1 300817574 571960131 /nfs/dbraw/zinc/96/01/31/571960131.db2.gz YOCSUNVWAGPQGB-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN C=C(C)[C@]1(CC(C)C)CCNC1=O 140652973 571958416 /nfs/dbraw/zinc/95/84/16/571958416.db2.gz HPPWRXDEIJLABV-LLVKDONJSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCCOc1nccc(C)c1N 235793457 571958487 /nfs/dbraw/zinc/95/84/87/571958487.db2.gz OFJUGJIDVNDJNM-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN C=C(C)C(=O)[C@H](OCC)C(C)C 132046920 571958510 /nfs/dbraw/zinc/95/85/10/571958510.db2.gz LRBJXRNSMCEQFP-SNVBAGLBSA-N 0 0 170.252 2.193 10 30 AEEERN CC(C)C1NC2=C(S1)C(=O)CCC2 526124870 571958516 /nfs/dbraw/zinc/95/85/16/571958516.db2.gz MYBLPELSCSGYFX-UHFFFAOYSA-N 0 0 196.295 2.433 10 30 AEEERN Cc1cccc(O[C@H](C)C#N)c1 11834616 571958632 /nfs/dbraw/zinc/95/86/32/571958632.db2.gz YLJICFIJRZTAII-SECBINFHSA-N 0 0 161.204 2.286 10 30 AEEERN C#C[C@@H](Nc1cc(C)ccn1)C(C)C 300849771 571958806 /nfs/dbraw/zinc/95/88/06/571958806.db2.gz FDGZZXXFLRYDSI-LLVKDONJSA-N 0 0 188.274 2.460 10 30 AEEERN C[C@H](C#N)Oc1ccc(F)cc1 11834582 571958829 /nfs/dbraw/zinc/95/88/29/571958829.db2.gz VXJAVQGIKWYAEE-SSDOTTSWSA-N 0 0 165.167 2.117 10 30 AEEERN C#CCCCC(=O)[C@H](OCC)C(C)C 132053004 571958915 /nfs/dbraw/zinc/95/89/15/571958915.db2.gz UPOQGJGKCCHETA-GFCCVEGCSA-N 0 0 196.290 2.420 10 30 AEEERN C=C(C)[C@@]1(CC(C)C)CCNC1=O 140652810 571959021 /nfs/dbraw/zinc/95/90/21/571959021.db2.gz HPPWRXDEIJLABV-NSHDSACASA-N 0 0 181.279 2.115 10 30 AEEERN O=CCC[C@@H](C1=CCCCC1)[N+](=O)[O-] 687758461 571959182 /nfs/dbraw/zinc/95/91/82/571959182.db2.gz XNOQKUUIQPUEDB-JTQLQIEISA-N 0 0 197.234 2.111 10 30 AEEERN O=CCC[C@H](C1=CCCCC1)[N+](=O)[O-] 687758462 571959201 /nfs/dbraw/zinc/95/92/01/571959201.db2.gz XNOQKUUIQPUEDB-SNVBAGLBSA-N 0 0 197.234 2.111 10 30 AEEERN C=C(C)C(=O)[C@@H](OCC)C(C)C 132046718 571959204 /nfs/dbraw/zinc/95/92/04/571959204.db2.gz LRBJXRNSMCEQFP-JTQLQIEISA-N 0 0 170.252 2.193 10 30 AEEERN C=CCCCOc1ccc(N)c(C)n1 235793158 571959208 /nfs/dbraw/zinc/95/92/08/571959208.db2.gz UQDXOURPBSJONP-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN C=CCC[C@]1(C)OC[C@@H](C=C)O1 113927727 571959462 /nfs/dbraw/zinc/95/94/62/571959462.db2.gz KDXVFDMMCGYBOF-NXEZZACHSA-N 0 0 168.236 2.270 10 30 AEEERN C=C(C)/C=C\CC[C@H](C)O 217486396 571959609 /nfs/dbraw/zinc/95/96/09/571959609.db2.gz GWCKURICGJSIHG-RNEXMXFGSA-N 0 0 140.226 2.280 10 30 AEEERN C[C@H](CC=NN)c1ccccc1 393338486 571959962 /nfs/dbraw/zinc/95/99/62/571959962.db2.gz OQXRWPFOHCKMFQ-SECBINFHSA-N 0 0 162.236 2.125 10 30 AEEERN C[C@](O)(CC=O)CCC1CCCC1 300817572 571960055 /nfs/dbraw/zinc/96/00/55/571960055.db2.gz YOCSUNVWAGPQGB-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN C=CCC[C@]1(C)OC[C@H](C=C)O1 113927724 571960443 /nfs/dbraw/zinc/96/04/43/571960443.db2.gz KDXVFDMMCGYBOF-VHSXEESVSA-N 0 0 168.236 2.270 10 30 AEEERN Cc1ccc(C(=O)C/C=N/O)cc1 40834874 571960767 /nfs/dbraw/zinc/96/07/67/571960767.db2.gz RBYGZQMLAKSNCU-YRNVUSSQSA-N 0 0 177.203 2.028 10 30 AEEERN C=CC[C@@H]1C[C@H](C)[C@H](/C(C)=C\CO)O1 388662902 571961179 /nfs/dbraw/zinc/96/11/79/571961179.db2.gz AQOVUJJNSBFOGO-VXOWQTHTSA-N 0 0 196.290 2.295 10 30 AEEERN C=CC[C@@H]1C[C@H](C)[C@@H](/C(C)=C\CO)O1 388662903 571960798 /nfs/dbraw/zinc/96/07/98/571960798.db2.gz AQOVUJJNSBFOGO-XQMWCZLNSA-N 0 0 196.290 2.295 10 30 AEEERN Cc1nc2ccccn2c1[C@H](C)C#N 31915672 571960814 /nfs/dbraw/zinc/96/08/14/571960814.db2.gz PWOKRVIYLRYHQV-MRVPVSSYSA-N 0 0 185.230 2.270 10 30 AEEERN Cc1nc2c(C)cccn2c1CC#N 31916238 571960840 /nfs/dbraw/zinc/96/08/40/571960840.db2.gz KCSDVKLVKJGJPR-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN Cc1nc2cccc(C)n2c1CC#N 31916124 571960853 /nfs/dbraw/zinc/96/08/53/571960853.db2.gz RNEDNBIMHMGATE-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN Cc1nc2ccccn2c1[C@@H](C)C#N 31915669 571960955 /nfs/dbraw/zinc/96/09/55/571960955.db2.gz PWOKRVIYLRYHQV-QMMMGPOBSA-N 0 0 185.230 2.270 10 30 AEEERN Cc1ccn2c(CC#N)c(C)nc2c1 31916198 571960963 /nfs/dbraw/zinc/96/09/63/571960963.db2.gz FYRFBKYMZCXLOD-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN C[C@@H](CC=NN)c1ccccc1 393338488 571960966 /nfs/dbraw/zinc/96/09/66/571960966.db2.gz OQXRWPFOHCKMFQ-VIFPVBQESA-N 0 0 162.236 2.125 10 30 AEEERN Cc1ccc2nc(C)c(CC#N)n2c1 31916155 571961016 /nfs/dbraw/zinc/96/10/16/571961016.db2.gz KHHDEPXNCBLNMP-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN C=CC[C@@H]1C[C@H](C)[C@@H](/C(C)=C/CO)O1 388662900 571961175 /nfs/dbraw/zinc/96/11/75/571961175.db2.gz AQOVUJJNSBFOGO-CDZDEQDKSA-N 0 0 196.290 2.295 10 30 AEEERN C#CCCC[C@]1(O)CCC[C@H](OC)C1 234790670 571961200 /nfs/dbraw/zinc/96/12/00/571961200.db2.gz YBRSPHLAHLNLJH-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN C=C(C)/C=C\CC[C@@H](C)O 217486562 571961291 /nfs/dbraw/zinc/96/12/91/571961291.db2.gz GWCKURICGJSIHG-XTULLQBASA-N 0 0 140.226 2.280 10 30 AEEERN C=CC[C@@H]1C[C@H](C)[C@H](/C(C)=C/CO)O1 388662901 571961384 /nfs/dbraw/zinc/96/13/84/571961384.db2.gz AQOVUJJNSBFOGO-QIYUTMAGSA-N 0 0 196.290 2.295 10 30 AEEERN CC(C)(C)Oc1ccncc1CC#N 214599726 571961836 /nfs/dbraw/zinc/96/18/36/571961836.db2.gz PQCVEWORUYLZON-UHFFFAOYSA-N 0 0 190.246 2.325 10 30 AEEERN C=CCC[C@@]1(C)OC[C@H](C=C)O1 113927726 571962019 /nfs/dbraw/zinc/96/20/19/571962019.db2.gz KDXVFDMMCGYBOF-UWVGGRQHSA-N 0 0 168.236 2.270 10 30 AEEERN C=CCC[C@@]1(C)OC[C@@H](C=C)O1 113927729 571962594 /nfs/dbraw/zinc/96/25/94/571962594.db2.gz KDXVFDMMCGYBOF-ZJUUUORDSA-N 0 0 168.236 2.270 10 30 AEEERN C=C(C)[C@@](O)(COC)c1ccccc1 234795993 571962709 /nfs/dbraw/zinc/96/27/09/571962709.db2.gz TWXIKXAJFBXUGH-LBPRGKRZSA-N 0 0 192.258 2.097 10 30 AEEERN Cc1ccc(C(=O)C2CC2)cc1C#N 32007815 571962875 /nfs/dbraw/zinc/96/28/75/571962875.db2.gz PIVBYTNUTIICKG-UHFFFAOYSA-N 0 0 185.226 2.459 10 30 AEEERN CCOc1cccc2c1C(=NO)CC2 308519154 571963848 /nfs/dbraw/zinc/96/38/48/571963848.db2.gz QDKMDPBRQKKJAG-UHFFFAOYSA-N 0 0 191.230 2.210 10 30 AEEERN CC1=C(C)[C@@](C)(C=O)CC1 32134804 571963892 /nfs/dbraw/zinc/96/38/92/571963892.db2.gz ZWXKJEZWEXSXKW-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN CC1=C(C)[C@](C)(C=O)CC1 32134805 571964287 /nfs/dbraw/zinc/96/42/87/571964287.db2.gz ZWXKJEZWEXSXKW-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C#CCCCOc1ccc(C)c(N)c1 300824825 571964596 /nfs/dbraw/zinc/96/45/96/571964596.db2.gz BHLIFSCYEDFASS-UHFFFAOYSA-N 0 0 189.258 2.369 10 30 AEEERN C[C@@]12C=CC(=O)C[C@H]1CCC2 32134588 571964626 /nfs/dbraw/zinc/96/46/26/571964626.db2.gz VTVAOEWVSQITMX-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C#CCCC[C@@]1(O)CCC[C@@H](OC)C1 234803394 571964865 /nfs/dbraw/zinc/96/48/65/571964865.db2.gz YBRSPHLAHLNLJH-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN C#CCSC[C@@H](C)CC 233999636 571964903 /nfs/dbraw/zinc/96/49/03/571964903.db2.gz NSRQWFBYEJFQQU-QMMMGPOBSA-N 0 0 142.267 2.399 10 30 AEEERN CCCCCCC[C@@H](C)C(N)=O 113465169 571964960 /nfs/dbraw/zinc/96/49/60/571964960.db2.gz KCVKVMKMXZXHEN-SECBINFHSA-N 0 0 171.284 2.468 10 30 AEEERN CCCCCCC[C@H](C)C(N)=O 113465171 571965090 /nfs/dbraw/zinc/96/50/90/571965090.db2.gz KCVKVMKMXZXHEN-VIFPVBQESA-N 0 0 171.284 2.468 10 30 AEEERN C=C1C[C@H](c2cccnc2)CCC1=O 219286592 571965124 /nfs/dbraw/zinc/96/51/24/571965124.db2.gz NGBFNBVSOYPXHZ-SNVBAGLBSA-N 0 0 187.242 2.474 10 30 AEEERN CCC[C@@H](C)n1ccnc1C#N 233286594 571965148 /nfs/dbraw/zinc/96/51/48/571965148.db2.gz QFFLTEXJFZWBMD-MRVPVSSYSA-N 0 0 163.224 2.116 10 30 AEEERN C=C1CCC[C@@]12CCC(=O)C2 196423747 571974724 /nfs/dbraw/zinc/97/47/24/571974724.db2.gz BNMQLNNPTGHTSH-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN CC[C@]1(C)C=CC(=O)C=C1C 32133631 571965320 /nfs/dbraw/zinc/96/53/20/571965320.db2.gz CQBBARRJOASBCR-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN N#Cc1cnc(C2CCCCC2)nc1 219287724 571965482 /nfs/dbraw/zinc/96/54/82/571965482.db2.gz SHVWYRZOQASAAG-UHFFFAOYSA-N 0 0 187.246 2.396 10 30 AEEERN CC[C@@]1(C)C=CC(=O)C=C1C 32133629 571965639 /nfs/dbraw/zinc/96/56/39/571965639.db2.gz CQBBARRJOASBCR-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN Cn1cc(C#N)nc1-c1cccs1 219306214 571965862 /nfs/dbraw/zinc/96/58/62/571965862.db2.gz BGBUXGKKETUXKZ-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN CCCCCCC[C@H](C)NC=O 113463583 571965909 /nfs/dbraw/zinc/96/59/09/571965909.db2.gz ISVHZYKLCDUVSF-JTQLQIEISA-N 0 0 171.284 2.481 10 30 AEEERN C[C@@]12C=CC(=O)C[C@@H]1CCC2 32134590 571966002 /nfs/dbraw/zinc/96/60/02/571966002.db2.gz VTVAOEWVSQITMX-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN Cn1cnc(C#N)c1-c1cccs1 219306298 571966242 /nfs/dbraw/zinc/96/62/42/571966242.db2.gz SWMSRNSKUQQLTK-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN CC1=CC(=O)C(C)(C)[C@@H]1C 32149068 571966954 /nfs/dbraw/zinc/96/69/54/571966954.db2.gz YMWHONYOTBOYIJ-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)[C@H](C#N)C(=O)c1ccco1 41045670 571967135 /nfs/dbraw/zinc/96/71/35/571967135.db2.gz IBPNBNAJJZWREJ-QMMMGPOBSA-N 0 0 177.203 2.258 10 30 AEEERN N#C[C@@H](Cn1cccn1)c1ccccc1 80800005 571968328 /nfs/dbraw/zinc/96/83/28/571968328.db2.gz UQXOYLLVLOCKPS-LBPRGKRZSA-N 0 0 197.241 2.190 10 30 AEEERN CC[C@H](C)C1CCC(=O)C1=O 32153045 571967200 /nfs/dbraw/zinc/96/72/00/571967200.db2.gz PQNHFKBVLISWHA-LURJTMIESA-N 0 0 154.209 2.208 10 30 AEEERN CC(C)[C@@H](C=O)c1ccco1 32147875 571967262 /nfs/dbraw/zinc/96/72/62/571967262.db2.gz CFZZQQSHWIMAEP-MRVPVSSYSA-N 0 0 152.193 2.218 10 30 AEEERN N#C[C@H](Cn1cccn1)c1ccccc1 80800002 571967332 /nfs/dbraw/zinc/96/73/32/571967332.db2.gz UQXOYLLVLOCKPS-GFCCVEGCSA-N 0 0 197.241 2.190 10 30 AEEERN N#C[C@H](Cn1ccnc1)c1ccccc1 80800017 571967348 /nfs/dbraw/zinc/96/73/48/571967348.db2.gz UEQGVPXMUOVECE-GFCCVEGCSA-N 0 0 197.241 2.190 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)c1cccnc1 41045785 571967366 /nfs/dbraw/zinc/96/73/66/571967366.db2.gz HTWIUVNCRIVVBD-SNVBAGLBSA-N 0 0 188.230 2.060 10 30 AEEERN CC(C)[C@H](C=O)c1ccco1 32147879 571967560 /nfs/dbraw/zinc/96/75/60/571967560.db2.gz CFZZQQSHWIMAEP-QMMMGPOBSA-N 0 0 152.193 2.218 10 30 AEEERN N#C[C@@H](Cn1ccnc1)c1ccccc1 80800018 571967755 /nfs/dbraw/zinc/96/77/55/571967755.db2.gz UEQGVPXMUOVECE-LBPRGKRZSA-N 0 0 197.241 2.190 10 30 AEEERN COc1ccc(C[C@]2(C)CO2)cc1C 219344868 571967797 /nfs/dbraw/zinc/96/77/97/571967797.db2.gz SHZXZABRDHHODI-GFCCVEGCSA-N 0 0 192.258 2.335 10 30 AEEERN C#CCCC[C@@]1(O)CCCC[C@H]1OC 234812605 571967839 /nfs/dbraw/zinc/96/78/39/571967839.db2.gz DJOPSHCNPLOROF-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN O=C1C=C2C3CCC2(CC3)C1 32142896 571967869 /nfs/dbraw/zinc/96/78/69/571967869.db2.gz ZDVUCHYTZGSHGA-UHFFFAOYSA-N 0 0 148.205 2.076 10 30 AEEERN CC[C@@H](C)[C@@H](C#N)N1CCCCC1 41050456 571967914 /nfs/dbraw/zinc/96/79/14/571967914.db2.gz AJWAGCYXVQSKLP-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CCC(=O)C(C)=C(C)C 32150304 571968039 /nfs/dbraw/zinc/96/80/39/571968039.db2.gz CDMNXIBTIAFPBU-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN CC1=CC(=O)C(C)(C)[C@H]1C 32149073 571968092 /nfs/dbraw/zinc/96/80/92/571968092.db2.gz YMWHONYOTBOYIJ-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@@H](C)[C@H](C#N)N1CCCCC1 41050458 571968151 /nfs/dbraw/zinc/96/81/51/571968151.db2.gz AJWAGCYXVQSKLP-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C)[C@@H](C#N)N1CCCCC1 41050457 571968236 /nfs/dbraw/zinc/96/82/36/571968236.db2.gz AJWAGCYXVQSKLP-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CC(=O)c1cc(C)c(C)c(C#N)c1O 207174553 571968282 /nfs/dbraw/zinc/96/82/82/571968282.db2.gz FWFWVGJTMFBYDO-UHFFFAOYSA-N 0 0 189.214 2.083 10 30 AEEERN CC(C)[C@@H](C#N)NCc1ccccc1 41049484 571968316 /nfs/dbraw/zinc/96/83/16/571968316.db2.gz LGTOBEWAPVXGPK-GFCCVEGCSA-N 0 0 188.274 2.324 10 30 AEEERN CC[C@H](C)[C@H](C#N)N1CCCCC1 41050459 571968455 /nfs/dbraw/zinc/96/84/55/571968455.db2.gz AJWAGCYXVQSKLP-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H](C)n1ccnc1C#N 233343608 571968608 /nfs/dbraw/zinc/96/86/08/571968608.db2.gz QFFLTEXJFZWBMD-QMMMGPOBSA-N 0 0 163.224 2.116 10 30 AEEERN CCCCC[C@H](S)CC=O 32165413 571968759 /nfs/dbraw/zinc/96/87/59/571968759.db2.gz CQZARDZYAZYHBT-QMMMGPOBSA-N 0 0 160.282 2.454 10 30 AEEERN CC(C)[C@@H](C#N)NC1CCCC1 41049505 571968838 /nfs/dbraw/zinc/96/88/38/571968838.db2.gz ULKYYMRWDOGWFH-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN CCCC[C@@H](S)CC=O 32165419 571969036 /nfs/dbraw/zinc/96/90/36/571969036.db2.gz IIEVDYNDUAHALL-SSDOTTSWSA-N 0 0 146.255 2.064 10 30 AEEERN CCSCCCCS 32163283 571969227 /nfs/dbraw/zinc/96/92/27/571969227.db2.gz UKCNJCPIHIMVSL-UHFFFAOYSA-N 0 0 150.312 2.450 10 30 AEEERN CCCC(=O)[C@H](C#N)C(C)C 41045748 571969253 /nfs/dbraw/zinc/96/92/53/571969253.db2.gz MWAVCTNYDLCQMI-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)c1ccco1 41045669 571969357 /nfs/dbraw/zinc/96/93/57/571969357.db2.gz IBPNBNAJJZWREJ-MRVPVSSYSA-N 0 0 177.203 2.258 10 30 AEEERN Cc1ccc(CS)s1 32175221 571969444 /nfs/dbraw/zinc/96/94/44/571969444.db2.gz VAZXIFBACHWZIJ-UHFFFAOYSA-N 0 0 144.264 2.486 10 30 AEEERN CCCC(=O)[C@@H](C#N)C(C)C 41045747 571969505 /nfs/dbraw/zinc/96/95/05/571969505.db2.gz MWAVCTNYDLCQMI-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN C#CCCC[C@]1(O)CCCC[C@@H]1OC 234810648 571970120 /nfs/dbraw/zinc/97/01/20/571970120.db2.gz DJOPSHCNPLOROF-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CC(C)[C@@H]1CC[C@H](C)C(C=O)=C1O 32179434 571969589 /nfs/dbraw/zinc/96/95/89/571969589.db2.gz MXTXPQAWZQKTNW-LPEHRKFASA-N 0 0 182.263 2.073 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C)C(C=O)=C1O 32179428 571969608 /nfs/dbraw/zinc/96/96/08/571969608.db2.gz MXTXPQAWZQKTNW-KXUCPTDWSA-N 0 0 182.263 2.073 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C(C=O)=C1O 32179431 571969900 /nfs/dbraw/zinc/96/99/00/571969900.db2.gz MXTXPQAWZQKTNW-OPRDCNLKSA-N 0 0 182.263 2.073 10 30 AEEERN CCCC[C@H](S)CC=O 32165420 571969919 /nfs/dbraw/zinc/96/99/19/571969919.db2.gz IIEVDYNDUAHALL-ZETCQYMHSA-N 0 0 146.255 2.064 10 30 AEEERN C#CC1(C#N)CCCCC1 32168705 571969931 /nfs/dbraw/zinc/96/99/31/571969931.db2.gz RJKHNDIOAQTVLX-UHFFFAOYSA-N 0 0 133.194 2.094 10 30 AEEERN C/C(C#Cc1ccccc1)=C/[C@@H](C)O 221274702 571969951 /nfs/dbraw/zinc/96/99/51/571969951.db2.gz XTMJUPNSGHTROV-NLYDNYMLSA-N 0 0 186.254 2.365 10 30 AEEERN CC[C@@H](C#N)NC[C@@H](C)C(C)C 81055730 571969959 /nfs/dbraw/zinc/96/99/59/571969959.db2.gz GVQUMRVOFWUDRO-ZJUUUORDSA-N 0 0 168.284 2.170 10 30 AEEERN CCCCCc1nc(C)n(C)c1C#N 219330247 571970043 /nfs/dbraw/zinc/97/00/43/571970043.db2.gz VQAAUAFOIHJLRG-UHFFFAOYSA-N 0 0 191.278 2.333 10 30 AEEERN CCCCC[C@@H](S)CC=O 32165411 571970189 /nfs/dbraw/zinc/97/01/89/571970189.db2.gz CQZARDZYAZYHBT-MRVPVSSYSA-N 0 0 160.282 2.454 10 30 AEEERN CC(=O)C1=CC[C@H]2[C@@H]1C2(C)C 32171591 571970194 /nfs/dbraw/zinc/97/01/94/571970194.db2.gz HNIXCOWEMBEVER-DTWKUNHWSA-N 0 0 150.221 2.178 10 30 AEEERN CC1=CCC(C)(C)CC1=O 32176719 571970237 /nfs/dbraw/zinc/97/02/37/571970237.db2.gz RDQLMOWLZRRRNM-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN COc1c(C)c(CC#N)cc(C)c1O 214632804 571971522 /nfs/dbraw/zinc/97/15/22/571971522.db2.gz WQYUQSSEHJOOIL-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN COc1cc(C)c(CC#N)c(O)c1C 214632487 571971774 /nfs/dbraw/zinc/97/17/74/571971774.db2.gz BBUSZMZGMYDZKT-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN O=C[C@H]1CCC[C@H]1[C@H]1CCC[C@H]1C=O 32213743 571971856 /nfs/dbraw/zinc/97/18/56/571971856.db2.gz KERACRHKVZQPLQ-BKUVIOGVSA-N 0 0 194.274 2.217 10 30 AEEERN CC(C)C(=O)C=C(N)c1ccccc1 24627333 571971937 /nfs/dbraw/zinc/97/19/37/571971937.db2.gz GQKGQSGKHCJUIF-FLIBITNWSA-N 0 0 189.258 2.211 10 30 AEEERN CC(C)[C@@H]1CCC(=O)C=C1[O-] 32215634 571971966 /nfs/dbraw/zinc/97/19/66/571971966.db2.gz YZKXSIJMJMGACZ-QMMMGPOBSA-N 0 0 154.209 2.063 10 30 AEEERN CC[C@@H](C#N)NC[C@H](C)C(C)C 81055740 571972040 /nfs/dbraw/zinc/97/20/40/571972040.db2.gz GVQUMRVOFWUDRO-UWVGGRQHSA-N 0 0 168.284 2.170 10 30 AEEERN CC[C@H](C#N)NC[C@@H](C)C(C)C 81055735 571972117 /nfs/dbraw/zinc/97/21/17/571972117.db2.gz GVQUMRVOFWUDRO-NXEZZACHSA-N 0 0 168.284 2.170 10 30 AEEERN CC(C)/N=C/c1cccc([N+](=O)[O-])c1 32220753 571972148 /nfs/dbraw/zinc/97/21/48/571972148.db2.gz HDFNAXYTYVHKHU-YRNVUSSQSA-N 0 0 192.218 2.422 10 30 AEEERN C=C(C)C(=O)Cc1ccccc1 32215688 571972294 /nfs/dbraw/zinc/97/22/94/571972294.db2.gz FPANRQPBDXQZGL-UHFFFAOYSA-N 0 0 160.216 2.374 10 30 AEEERN O=C1CCC(c2ccccc2)C1=O 32220025 571972363 /nfs/dbraw/zinc/97/23/63/571972363.db2.gz HDVLAHPRSXQFCV-UHFFFAOYSA-N 0 0 174.199 2.319 10 30 AEEERN CCNC=CC(=O)c1cccs1 100325468 571972398 /nfs/dbraw/zinc/97/23/98/571972398.db2.gz NPMUCNKFQDQJJB-WAYWQWQTSA-N 0 0 181.260 2.054 10 30 AEEERN C/C(C#Cc1ccccc1)=C/[C@H](C)O 221274591 571972424 /nfs/dbraw/zinc/97/24/24/571972424.db2.gz XTMJUPNSGHTROV-WEHUKYGOSA-N 0 0 186.254 2.365 10 30 AEEERN C[C@H]1CCC2=CC(=O)CC[C@@H]21 196422484 571973422 /nfs/dbraw/zinc/97/34/22/571973422.db2.gz XMVWAOHVGVKBKO-OIBJUYFYSA-N 0 0 150.221 2.322 10 30 AEEERN C#C[C@@](C)(OC)[C@@H](C)CCC 32227121 571973128 /nfs/dbraw/zinc/97/31/28/571973128.db2.gz NQIHVWYKYJMZTQ-VHSXEESVSA-N 0 0 154.253 2.461 10 30 AEEERN O=C1C=C[C@H]2C3CCC(CC3)[C@H]12 32226803 571973185 /nfs/dbraw/zinc/97/31/85/571973185.db2.gz GYYXHLRZXRSOSQ-CAUGXEKISA-N 0 0 162.232 2.178 10 30 AEEERN CCC[C@H](C=O)c1ccco1 32226104 571973205 /nfs/dbraw/zinc/97/32/05/571973205.db2.gz VABVMGKHVDVOBI-MRVPVSSYSA-N 0 0 152.193 2.362 10 30 AEEERN COc1cc([C@H](C)C#N)cc(O)c1C 214633929 571973219 /nfs/dbraw/zinc/97/32/19/571973219.db2.gz RKHAMXQVKKPVTB-SSDOTTSWSA-N 0 0 191.230 2.336 10 30 AEEERN CC1(C)[C@]2(C#N)CC[C@@]1(C)C(=O)C2 32227939 571973221 /nfs/dbraw/zinc/97/32/21/571973221.db2.gz SEBZADWFIXJMGC-WDEREUQCSA-N 0 0 177.247 2.295 10 30 AEEERN COc1c(C)ccc(CC#N)c1OC 214632959 571973277 /nfs/dbraw/zinc/97/32/77/571973277.db2.gz YQFLVDNPUYJFBS-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN CCCC(C)(C)CC=O 32228413 571973374 /nfs/dbraw/zinc/97/33/74/571973374.db2.gz IHEORNQYISDNQZ-UHFFFAOYSA-N 0 0 128.215 2.402 10 30 AEEERN CCc1cc([C@H](C)C#N)c(O)cc1O 214634058 571973397 /nfs/dbraw/zinc/97/33/97/571973397.db2.gz YOIXREICNJKUSI-SSDOTTSWSA-N 0 0 191.230 2.287 10 30 AEEERN CC(C)=C=CC(=O)C(C)C 196421525 571973439 /nfs/dbraw/zinc/97/34/39/571973439.db2.gz WHNDMKYGAPISJC-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN C=C1CC[C@@H]2[C@H](C1=O)C2(C)C 32224914 571973513 /nfs/dbraw/zinc/97/35/13/571973513.db2.gz RPCFFYOXVFIOPI-HTQZYQBOSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCC1=C[C@H](C)CC1=O 139778965 571973571 /nfs/dbraw/zinc/97/35/71/571973571.db2.gz HRGJWTIYDGGNFD-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN C=CC(=O)Cc1ccc(OC)c(F)c1 234842950 571973851 /nfs/dbraw/zinc/97/38/51/571973851.db2.gz HGUIMSWSYJXGJI-UHFFFAOYSA-N 0 0 194.205 2.132 10 30 AEEERN COc1c(CCC=O)ccc(C)c1C 234843092 571973857 /nfs/dbraw/zinc/97/38/57/571973857.db2.gz VZZKIMYNMQZHHX-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN CCc1cc(CC#N)c(O)cc1OC 214634523 571973887 /nfs/dbraw/zinc/97/38/87/571973887.db2.gz DPBDQNQYPSCLSR-UHFFFAOYSA-N 0 0 191.230 2.029 10 30 AEEERN C=CCC1=C(C)CCC[C@H]1O 196422206 571974039 /nfs/dbraw/zinc/97/40/39/571974039.db2.gz IJAGKTUGRWGULR-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN O=C1C=C[C@@H]2C3CCC(CC3)[C@@H]12 32226804 571974046 /nfs/dbraw/zinc/97/40/46/571974046.db2.gz GYYXHLRZXRSOSQ-RSWAIMACSA-N 0 0 162.232 2.178 10 30 AEEERN C=CC(=O)Cc1cc(C)ccc1OC 234845438 571974147 /nfs/dbraw/zinc/97/41/47/571974147.db2.gz KZIOKHDGEDZGGQ-UHFFFAOYSA-N 0 0 190.242 2.301 10 30 AEEERN Cc1cc(C(C)(C)C#N)c(O)cc1O 214633792 571974307 /nfs/dbraw/zinc/97/43/07/571974307.db2.gz GVZCSCKXORNPCW-UHFFFAOYSA-N 0 0 191.230 2.207 10 30 AEEERN COc1c(C)cc(C)c(CC#N)c1O 214633037 571974355 /nfs/dbraw/zinc/97/43/55/571974355.db2.gz MZSRJCGFHHKMOU-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN CCc1cc(CCC#N)c(O)cc1O 214634293 571974471 /nfs/dbraw/zinc/97/44/71/571974471.db2.gz HHVCDKOWLWKNQH-UHFFFAOYSA-N 0 0 191.230 2.116 10 30 AEEERN COC(OC)c1cccc(CC#N)c1 214634756 571974653 /nfs/dbraw/zinc/97/46/53/571974653.db2.gz KKPKFBYLGAEMJR-UHFFFAOYSA-N 0 0 191.230 2.044 10 30 AEEERN COC(OC)c1ccccc1CC#N 214634671 571974586 /nfs/dbraw/zinc/97/45/86/571974586.db2.gz PDCLEYSFUVVEAW-UHFFFAOYSA-N 0 0 191.230 2.044 10 30 AEEERN C#CC/N=C/c1ccc(Cl)c(O)c1 139843039 571974651 /nfs/dbraw/zinc/97/46/51/571974651.db2.gz LYCLLBXSKYUYNB-KPKJPENVSA-N 0 0 193.633 2.098 10 30 AEEERN O=C1C=C[C@@H]2C3CCC(CC3)[C@H]12 32226801 571974687 /nfs/dbraw/zinc/97/46/87/571974687.db2.gz GYYXHLRZXRSOSQ-CKQMPDBCSA-N 0 0 162.232 2.178 10 30 AEEERN C[C@H]1CCC2=CC(=O)CC[C@H]21 196422468 571974815 /nfs/dbraw/zinc/97/48/15/571974815.db2.gz XMVWAOHVGVKBKO-XVKPBYJWSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCCCCCC(=O)[C@H](C)O 235541277 571975064 /nfs/dbraw/zinc/97/50/64/571975064.db2.gz CIXVFYUIORFHFF-VIFPVBQESA-N 0 0 170.252 2.073 10 30 AEEERN CCCC(C(C)=O)C(C)=O 139717319 571975138 /nfs/dbraw/zinc/97/51/38/571975138.db2.gz YFFJQWPRURRTKL-SOFGYWHQSA-N 0 0 142.198 2.208 10 30 AEEERN C[C@@H]1CCC2=CC(=O)CC[C@@H]21 196422477 571975213 /nfs/dbraw/zinc/97/52/13/571975213.db2.gz XMVWAOHVGVKBKO-GMSGAONNSA-N 0 0 150.221 2.322 10 30 AEEERN CCCCCCC#C[C@H](F)CO 139841811 571975280 /nfs/dbraw/zinc/97/52/80/571975280.db2.gz DMYRSZMBRALUPJ-JTQLQIEISA-N 0 0 172.243 2.291 10 30 AEEERN C=C1CCC[C@]12CCC(=O)C2 196423757 571975325 /nfs/dbraw/zinc/97/53/25/571975325.db2.gz BNMQLNNPTGHTSH-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN C=C[C@H](C)Oc1ccc(F)cc1CO 235539697 571975344 /nfs/dbraw/zinc/97/53/44/571975344.db2.gz YDIINPASCABLCV-QMMMGPOBSA-N 0 0 196.221 2.271 10 30 AEEERN C=CCC1=C(C)CCC[C@@H]1O 196422218 571975466 /nfs/dbraw/zinc/97/54/66/571975466.db2.gz IJAGKTUGRWGULR-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN O=C1C=CC[C@@H]1C1CC=CC1 32302955 571975515 /nfs/dbraw/zinc/97/55/15/571975515.db2.gz IBGPFMBWZRRVRC-SECBINFHSA-N 0 0 148.205 2.098 10 30 AEEERN C=C(C)C(=O)COc1ccccc1 39398361 571975609 /nfs/dbraw/zinc/97/56/09/571975609.db2.gz NIYWFYWAVMESEK-UHFFFAOYSA-N 0 0 176.215 2.211 10 30 AEEERN C[C@@H]1CCC2=CC(=O)CC[C@H]21 196422457 571975550 /nfs/dbraw/zinc/97/55/50/571975550.db2.gz XMVWAOHVGVKBKO-XCBNKYQSSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)Oc1cc(O)cc(O)c1 139731402 571975570 /nfs/dbraw/zinc/97/55/70/571975570.db2.gz YRVLAHYSBSBPEV-UHFFFAOYSA-N 0 0 166.176 2.010 10 30 AEEERN C=C(C(=O)CCC)C(F)(F)F 139704588 571976269 /nfs/dbraw/zinc/97/62/69/571976269.db2.gz UZNLXOGDXCXPOR-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN C=C(C)[C@@H](O)C(=O)C1CCCCC1 139769901 571976571 /nfs/dbraw/zinc/97/65/71/571976571.db2.gz HERPRLNSQKYABE-SNVBAGLBSA-N 0 0 182.263 2.073 10 30 AEEERN CC1C(=O)CCC(C)(C)C1=O 32302676 571976630 /nfs/dbraw/zinc/97/66/30/571976630.db2.gz XRUSAWYXNLXVHF-UHFFFAOYSA-N 0 0 154.209 2.208 10 30 AEEERN COC1=C(Cl)C(=O)C[C@H](C)C1 32301920 571976637 /nfs/dbraw/zinc/97/66/37/571976637.db2.gz HPQQDPABWILDLP-YFKPBYRVSA-N 0 0 174.627 2.082 10 30 AEEERN CC1=C(C)C(=O)[C@@H](C)CC1 32302654 571976703 /nfs/dbraw/zinc/97/67/03/571976703.db2.gz UOQNEDMSOAECRG-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1C=C(C)C(=O)C(C)(C)C1 32302649 571976729 /nfs/dbraw/zinc/97/67/29/571976729.db2.gz WDWRVNBMFPEWII-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@](C)(C=O)Cc1ccco1 317233808 571977544 /nfs/dbraw/zinc/97/75/44/571977544.db2.gz NTPZLPMVKGGZHI-JTQLQIEISA-N 0 0 166.220 2.437 10 30 AEEERN CCC(CC)COCC[C@](C)(N)C#N 300833150 571977927 /nfs/dbraw/zinc/97/79/27/571977927.db2.gz IAHWZXVEXWSZIF-NSHDSACASA-N 0 0 198.310 2.070 10 30 AEEERN COC1=CC(C)(C)C=C(C)C1=O 32302669 571977359 /nfs/dbraw/zinc/97/73/59/571977359.db2.gz PLSCJVRFMGMGCZ-UHFFFAOYSA-N 0 0 166.220 2.072 10 30 AEEERN CC1=CCC[C@]12CC=CC2=O 32302651 571977530 /nfs/dbraw/zinc/97/75/30/571977530.db2.gz HNDRXAXZDCMUIU-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN C#CCCCOc1ccccc1 39426404 571977630 /nfs/dbraw/zinc/97/76/30/571977630.db2.gz FOWOIIGBPHUFIX-UHFFFAOYSA-N 0 0 160.216 2.479 10 30 AEEERN C[C@]12C=CC(=O)C=C[C@@H]1CCC2 196427713 571977762 /nfs/dbraw/zinc/97/77/62/571977762.db2.gz ILKUHVFPJHTDHW-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C=CCCC1(CO)CCC1 139856750 571977713 /nfs/dbraw/zinc/97/77/13/571977713.db2.gz AIHZTHBKXHYRFH-UHFFFAOYSA-N 0 0 140.226 2.115 10 30 AEEERN C[C@]12C=CC(=O)C=CC1=CCC2 196427732 571978268 /nfs/dbraw/zinc/97/82/68/571978268.db2.gz VSDUPUXDOBQBJP-NSHDSACASA-N 0 0 160.216 2.408 10 30 AEEERN C[C@]12C=CC(=O)C=C[C@H]1CCC2 196427503 571978413 /nfs/dbraw/zinc/97/84/13/571978413.db2.gz ILKUHVFPJHTDHW-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN CC[C@H](CS)COC1CC1 713169056 571978522 /nfs/dbraw/zinc/97/85/22/571978522.db2.gz MJLBWGLACQMCTJ-ZETCQYMHSA-N 0 0 160.282 2.121 10 30 AEEERN C[C@@]12C=CC(=O)C=CC1=CCC2 196427740 571978534 /nfs/dbraw/zinc/97/85/34/571978534.db2.gz VSDUPUXDOBQBJP-LLVKDONJSA-N 0 0 160.216 2.408 10 30 AEEERN C=C(/C=C(\C)[C@H](O)CC)C[C@@H](C)CO 217703714 571978732 /nfs/dbraw/zinc/97/87/32/571978732.db2.gz PIFZQPXYDHOAFT-CKRBCLJCSA-N 0 0 198.306 2.278 10 30 AEEERN C[C@@H]1Cc2ccccc2/C1=N\O 41167655 571978842 /nfs/dbraw/zinc/97/88/42/571978842.db2.gz CFHRPNSRHKTTCN-MHESWEFBSA-N 0 0 161.204 2.057 10 30 AEEERN CC[C@@H](CS)COC1CC1 713169055 571978953 /nfs/dbraw/zinc/97/89/53/571978953.db2.gz MJLBWGLACQMCTJ-SSDOTTSWSA-N 0 0 160.282 2.121 10 30 AEEERN CC(C)[C@@H]1CCC(=NN)C[C@@H]1C 388398202 571979228 /nfs/dbraw/zinc/97/92/28/571979228.db2.gz KUAZVGCBUIFYNK-WPRPVWTQSA-N 0 0 168.284 2.393 10 30 AEEERN C=C[C@H](C)OC1CCC(CO)CC1 235544465 571979319 /nfs/dbraw/zinc/97/93/19/571979319.db2.gz FSMITTPPVYIETO-WHXUTIOJSA-N 0 0 184.279 2.129 10 30 AEEERN C[C@@]12C=CC(=O)C=C[C@H]1CCC2 196427707 571979325 /nfs/dbraw/zinc/97/93/25/571979325.db2.gz ILKUHVFPJHTDHW-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C[C@@]12C=CC(=O)C=C[C@@H]1CCC2 196427721 571979507 /nfs/dbraw/zinc/97/95/07/571979507.db2.gz ILKUHVFPJHTDHW-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN CC(=O)C(F)=C(F)C(F)(F)F 209297262 571979604 /nfs/dbraw/zinc/97/96/04/571979604.db2.gz QIGPNOULPVJQFC-ARJAWSKDSA-N 0 0 174.068 2.288 10 30 AEEERN Cc1cccc(CC(=O)CC#N)c1 41198644 571979821 /nfs/dbraw/zinc/97/98/21/571979821.db2.gz XTXBBAKWQVAVCE-UHFFFAOYSA-N 0 0 173.215 2.020 10 30 AEEERN C#CCCC[C@@]1(O)CCCC[C@@H]1OC 234870489 571980006 /nfs/dbraw/zinc/98/00/06/571980006.db2.gz DJOPSHCNPLOROF-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN C=CC/C=C(\C)[C@H](O)CC=C 217773826 571980078 /nfs/dbraw/zinc/98/00/78/571980078.db2.gz AOGUQSVDJIWOSV-AAXQSMANSA-N 0 0 152.237 2.446 10 30 AEEERN CCc1ccc(C[C@](C)(N)C#N)cc1 41204278 571980119 /nfs/dbraw/zinc/98/01/19/571980119.db2.gz QXQUCQILAAMQPR-LBPRGKRZSA-N 0 0 188.274 2.032 10 30 AEEERN CN(C)c1ccc([C@@H]2C[C@H]2C#N)cc1 41203517 571980638 /nfs/dbraw/zinc/98/06/38/571980638.db2.gz DEEJTIVDOCSRCM-JQWIXIFHSA-N 0 0 186.258 2.380 10 30 AEEERN CCc1cc(CC#N)ccc1OC 41199168 571980227 /nfs/dbraw/zinc/98/02/27/571980227.db2.gz ICEVZAPYQHWRTJ-UHFFFAOYSA-N 0 0 175.231 2.324 10 30 AEEERN COc1cc(C)cc(C)c1CCC=O 234870862 571980253 /nfs/dbraw/zinc/98/02/53/571980253.db2.gz KAXRLMAIOLAMRY-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN CC(C)[C@H]1CCC(=NN)C[C@@H]1C 388398199 571980270 /nfs/dbraw/zinc/98/02/70/571980270.db2.gz KUAZVGCBUIFYNK-WCBMZHEXSA-N 0 0 168.284 2.393 10 30 AEEERN CN(C)c1ccc([C@H]2C[C@H]2C#N)cc1 41203520 571980279 /nfs/dbraw/zinc/98/02/79/571980279.db2.gz DEEJTIVDOCSRCM-CMPLNLGQSA-N 0 0 186.258 2.380 10 30 AEEERN Cc1ccc(C[C@@H](O)CC#N)c(C)c1 41204577 571980281 /nfs/dbraw/zinc/98/02/81/571980281.db2.gz ADFYONPZVBZIBN-LBPRGKRZSA-N 0 0 189.258 2.121 10 30 AEEERN CN(C)c1ccc([C@@H]2C[C@@H]2C#N)cc1 41203511 571980374 /nfs/dbraw/zinc/98/03/74/571980374.db2.gz DEEJTIVDOCSRCM-PWSUYJOCSA-N 0 0 186.258 2.380 10 30 AEEERN Cc1ccc(CC[C@@](C)(N)C#N)cc1 41204292 571980389 /nfs/dbraw/zinc/98/03/89/571980389.db2.gz YTEKIIQHRRWXPW-GFCCVEGCSA-N 0 0 188.274 2.169 10 30 AEEERN C=C[C@@H]1[C@@H](C)C(=O)CC1(C)C 139954529 571991368 /nfs/dbraw/zinc/99/13/68/571991368.db2.gz UVBIZMHDIRGIHW-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1ccc(C)c(C[C@@H](O)CC#N)c1 41204571 571980427 /nfs/dbraw/zinc/98/04/27/571980427.db2.gz YRXMGGVHTNGDEO-LBPRGKRZSA-N 0 0 189.258 2.121 10 30 AEEERN CCc1ccc(C[C@@](C)(N)C#N)cc1 41204280 571980518 /nfs/dbraw/zinc/98/05/18/571980518.db2.gz QXQUCQILAAMQPR-GFCCVEGCSA-N 0 0 188.274 2.032 10 30 AEEERN CC[C@@H](C#N)c1ccc2c(c1)OCO2 41204426 571980558 /nfs/dbraw/zinc/98/05/58/571980558.db2.gz OZXMVLIWICHEKE-QMMMGPOBSA-N 0 0 189.214 2.432 10 30 AEEERN Cc1cccc([C@H](O)CCC#N)c1 41199123 571980761 /nfs/dbraw/zinc/98/07/61/571980761.db2.gz ACNLIEZVMCETDP-LLVKDONJSA-N 0 0 175.231 2.332 10 30 AEEERN C=CC[C@@H]1CC[C@H](CC=C)NC1=O 238094824 571980764 /nfs/dbraw/zinc/98/07/64/571980764.db2.gz PPIGISJRIBMVBT-ZJUUUORDSA-N 0 0 179.263 2.033 10 30 AEEERN Cc1ccc(C)c(C[C@H](O)CC#N)c1 41204569 571980813 /nfs/dbraw/zinc/98/08/13/571980813.db2.gz YRXMGGVHTNGDEO-GFCCVEGCSA-N 0 0 189.258 2.121 10 30 AEEERN Cc1ccc(CC[C@](C)(N)C#N)cc1 41204290 571980907 /nfs/dbraw/zinc/98/09/07/571980907.db2.gz YTEKIIQHRRWXPW-LBPRGKRZSA-N 0 0 188.274 2.169 10 30 AEEERN C=C(C(C)=O)c1ccc(OC)c(F)c1 219424894 571981858 /nfs/dbraw/zinc/98/18/58/571981858.db2.gz UDHWSTGUICPYCE-UHFFFAOYSA-N 0 0 194.205 2.437 10 30 AEEERN Cc1ccc([C@@H](O)CC#N)cc1C 41199108 571981330 /nfs/dbraw/zinc/98/13/30/571981330.db2.gz KOKLTGHJLIHMJT-NSHDSACASA-N 0 0 175.231 2.251 10 30 AEEERN Cc1ccc([C@H](C#N)CN(C)C)cc1 41204294 571981282 /nfs/dbraw/zinc/98/12/82/571981282.db2.gz GNOGPSAEFWYKBD-GFCCVEGCSA-N 0 0 188.274 2.164 10 30 AEEERN Cc1ccc([C@H](O)CC#N)cc1C 41199105 571981295 /nfs/dbraw/zinc/98/12/95/571981295.db2.gz KOKLTGHJLIHMJT-LLVKDONJSA-N 0 0 175.231 2.251 10 30 AEEERN Cc1cccc(CC[C@](C)(N)C#N)c1 41204286 571981372 /nfs/dbraw/zinc/98/13/72/571981372.db2.gz XKERSQXONGDVIW-LBPRGKRZSA-N 0 0 188.274 2.169 10 30 AEEERN C=CCCCCC[C@@H]1O[C@@H]1C=O 238053064 571981453 /nfs/dbraw/zinc/98/14/53/571981453.db2.gz RRAMVKWPACUFRM-VHSXEESVSA-N 0 0 168.236 2.089 10 30 AEEERN Cc1cccc2c1OCC[C@H]2C#N 41198692 571981474 /nfs/dbraw/zinc/98/14/74/571981474.db2.gz JTJMHAYXKYOIKO-VIFPVBQESA-N 0 0 173.215 2.385 10 30 AEEERN Cc1cccc(CC[C@@](C)(N)C#N)c1 41204288 571981627 /nfs/dbraw/zinc/98/16/27/571981627.db2.gz XKERSQXONGDVIW-GFCCVEGCSA-N 0 0 188.274 2.169 10 30 AEEERN CC=CC(=O)Cc1ccccc1OC 234874991 571981719 /nfs/dbraw/zinc/98/17/19/571981719.db2.gz JZXJPPKPBBWQLJ-ZZXKWVIFSA-N 0 0 190.242 2.383 10 30 AEEERN Cc1ccc(CC(=O)CC#N)c(C)c1 41203880 571981731 /nfs/dbraw/zinc/98/17/31/571981731.db2.gz VWJMJEAEXFMSKN-UHFFFAOYSA-N 0 0 187.242 2.329 10 30 AEEERN COC(=O)[C@@H](CC#N)C1CCCCC1 34534650 571982096 /nfs/dbraw/zinc/98/20/96/571982096.db2.gz DVWPQYMGFMNZJH-JTQLQIEISA-N 0 0 195.262 2.270 10 30 AEEERN CC[C@H](C=O)c1ccc2c(c1)OCO2 41205831 571982186 /nfs/dbraw/zinc/98/21/86/571982186.db2.gz RZNKHPZOYLPFFP-MRVPVSSYSA-N 0 0 192.214 2.108 10 30 AEEERN C[C@H](c1cccs1)[C@H](C#N)N(C)C 41206900 571982254 /nfs/dbraw/zinc/98/22/54/571982254.db2.gz UKYOSMMLEHRPNW-IUCAKERBSA-N 0 0 194.303 2.305 10 30 AEEERN CC1(C)[C@H]2C=CC(=O)CC[C@H]21 196433964 571982290 /nfs/dbraw/zinc/98/22/90/571982290.db2.gz KWJOKSSVHGTBHD-DTWKUNHWSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCCCCC[C@H]1O[C@H]1C=O 238053212 571982301 /nfs/dbraw/zinc/98/23/01/571982301.db2.gz RRAMVKWPACUFRM-ZJUUUORDSA-N 0 0 168.236 2.089 10 30 AEEERN CC1(C)[C@@H]2C=CC(=O)CC[C@H]21 196433990 571982361 /nfs/dbraw/zinc/98/23/61/571982361.db2.gz KWJOKSSVHGTBHD-RKDXNWHRSA-N 0 0 150.221 2.178 10 30 AEEERN C#CC[C@@]1(C)C=CC(C)=CC1=O 196431857 571982326 /nfs/dbraw/zinc/98/23/26/571982326.db2.gz WXLHGKOTNCNHNV-NSHDSACASA-N 0 0 160.216 2.101 10 30 AEEERN C=CCOc1ccc([C@H](C)O)c(F)c1 235548519 571982430 /nfs/dbraw/zinc/98/24/30/571982430.db2.gz RNQFLQBNXXIJIS-QMMMGPOBSA-N 0 0 196.221 2.444 10 30 AEEERN CCC(=O)C1=C(C)C[C@@H](O)CC1(C)C 13410828 571982481 /nfs/dbraw/zinc/98/24/81/571982481.db2.gz AWEBWMVKWDSYSS-SECBINFHSA-N 0 0 196.290 2.463 10 30 AEEERN CC(C)(C)[C@H]1C[C@@H]1C#N 148969538 571982676 /nfs/dbraw/zinc/98/26/76/571982676.db2.gz SGKVAJUDHCJJEE-RQJHMYQMSA-N 0 0 123.199 2.192 10 30 AEEERN Cc1cc([C@@H](O)CCC#N)ccc1F 41206162 571982647 /nfs/dbraw/zinc/98/26/47/571982647.db2.gz ZNIPVRLFFAXCOV-NSHDSACASA-N 0 0 193.221 2.471 10 30 AEEERN C[C@H]1CC[C@@H](C#N)[C@H](n2ccnc2)C1 37147393 571982663 /nfs/dbraw/zinc/98/26/63/571982663.db2.gz PMMQXEPNCVIINA-GARJFASQSA-N 0 0 189.262 2.384 10 30 AEEERN CC1=CC[C@@H]2[C@H](C1=O)C2(C)C 13383499 571982755 /nfs/dbraw/zinc/98/27/55/571982755.db2.gz SAFIHMIEMQFPDA-HTQZYQBOSA-N 0 0 150.221 2.178 10 30 AEEERN CC1=CC(=O)[C@@H]2[C@H](C1)C2(C)C 13383501 571982777 /nfs/dbraw/zinc/98/27/77/571982777.db2.gz WDILKLCBAXJFIA-CBAPKCEASA-N 0 0 150.221 2.178 10 30 endogenous,in-man AEEERN CC1=CC(=O)[C@H]2[C@@H](C1)C2(C)C 13383500 571983118 /nfs/dbraw/zinc/98/31/18/571983118.db2.gz WDILKLCBAXJFIA-VXNVDRBHSA-N 0 0 150.221 2.178 10 30 endogenous,in-man AEEERN COC(=O)[C@H](CC#N)C1CCCCC1 34534652 571983144 /nfs/dbraw/zinc/98/31/44/571983144.db2.gz DVWPQYMGFMNZJH-SNVBAGLBSA-N 0 0 195.262 2.270 10 30 AEEERN N#CCC[C@@H]1CCCCC[C@@H]1O 196433050 571982900 /nfs/dbraw/zinc/98/29/00/571982900.db2.gz VOKMJPDXBYDXNL-UWVGGRQHSA-N 0 0 167.252 2.231 10 30 AEEERN CN(C)[C@@](C)(C#N)Cc1cccs1 41206876 571982917 /nfs/dbraw/zinc/98/29/17/571982917.db2.gz GSINENPOWDUTMD-SNVBAGLBSA-N 0 0 194.303 2.134 10 30 AEEERN N#CCC[C@@H]1CCCCC[C@H]1O 196433036 571982928 /nfs/dbraw/zinc/98/29/28/571982928.db2.gz VOKMJPDXBYDXNL-VHSXEESVSA-N 0 0 167.252 2.231 10 30 AEEERN C[C@@H](c1cccs1)[C@@H](C#N)N(C)C 41206897 571982932 /nfs/dbraw/zinc/98/29/32/571982932.db2.gz UKYOSMMLEHRPNW-RKDXNWHRSA-N 0 0 194.303 2.305 10 30 AEEERN N#CCC[C@H]1CCCCC[C@@H]1O 196433042 571982979 /nfs/dbraw/zinc/98/29/79/571982979.db2.gz VOKMJPDXBYDXNL-ZJUUUORDSA-N 0 0 167.252 2.231 10 30 AEEERN CN(C)[C@](C)(C#N)Cc1cccs1 41206877 571982997 /nfs/dbraw/zinc/98/29/97/571982997.db2.gz GSINENPOWDUTMD-JTQLQIEISA-N 0 0 194.303 2.134 10 30 AEEERN C[C@](N)(C#N)Cc1ccccc1Cl 41206912 571983008 /nfs/dbraw/zinc/98/30/08/571983008.db2.gz LEBSHYWNORFPCH-SNVBAGLBSA-N 0 0 194.665 2.123 10 30 AEEERN C[C@@](N)(C#N)Cc1cccc(Cl)c1 41206915 571983086 /nfs/dbraw/zinc/98/30/86/571983086.db2.gz RCNDFBBXJREZJJ-JTQLQIEISA-N 0 0 194.665 2.123 10 30 AEEERN C[C@H](c1cccs1)[C@@H](C#N)N(C)C 41206898 571983243 /nfs/dbraw/zinc/98/32/43/571983243.db2.gz UKYOSMMLEHRPNW-DTWKUNHWSA-N 0 0 194.303 2.305 10 30 AEEERN CC1=CC(O)=C(C(=O)C(C)(C)C)C1 32602016 571983304 /nfs/dbraw/zinc/98/33/04/571983304.db2.gz HZOFCPUTADMTSL-MRVPVSSYSA-N 0 0 180.247 2.137 10 30 AEEERN C#CC[C@]1(C)C=CC(=O)C=C1C 196431899 571983547 /nfs/dbraw/zinc/98/35/47/571983547.db2.gz SKDIILRWUMBFPV-LLVKDONJSA-N 0 0 160.216 2.101 10 30 AEEERN CCN[C@H](C#N)[C@H](C)CC(C)C 300847654 571983331 /nfs/dbraw/zinc/98/33/31/571983331.db2.gz DWMUYUDLHGRESZ-NXEZZACHSA-N 0 0 168.284 2.170 10 30 AEEERN C#CC[C@]1(C)C=CC(C)=CC1=O 196431866 571983445 /nfs/dbraw/zinc/98/34/45/571983445.db2.gz WXLHGKOTNCNHNV-LLVKDONJSA-N 0 0 160.216 2.101 10 30 AEEERN N#CCC[C@H]1CCCCC[C@H]1O 196433025 571983488 /nfs/dbraw/zinc/98/34/88/571983488.db2.gz VOKMJPDXBYDXNL-NXEZZACHSA-N 0 0 167.252 2.231 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C)C(C=O)=C1O 196434028 571983506 /nfs/dbraw/zinc/98/35/06/571983506.db2.gz MXTXPQAWZQKTNW-UTLUCORTSA-N 0 0 182.263 2.073 10 30 AEEERN C#CC[C@@]1(C)C=CC(=O)C=C1C 196431907 571983676 /nfs/dbraw/zinc/98/36/76/571983676.db2.gz SKDIILRWUMBFPV-NSHDSACASA-N 0 0 160.216 2.101 10 30 AEEERN CC(C)=C1C(=O)[C@@H]2CC=C[C@@H]12 196432828 571983914 /nfs/dbraw/zinc/98/39/14/571983914.db2.gz YIPYDGKDFXCWCF-HTQZYQBOSA-N 0 0 148.205 2.098 10 30 AEEERN C/C(=C/Cl)C[C@@]1(C#N)CCOC1 388405795 571983729 /nfs/dbraw/zinc/98/37/29/571983729.db2.gz SGYNUMQRNWCZIG-BZJXQOFCSA-N 0 0 185.654 2.449 10 30 AEEERN CC(C)=C[C@@H]1[C@@H](C=O)C1(C)C 13512634 571983807 /nfs/dbraw/zinc/98/38/07/571983807.db2.gz NQLKPDBZZUIQGM-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN CCN[C@@H](C#N)[C@H](C)CC(C)C 300847670 571983853 /nfs/dbraw/zinc/98/38/53/571983853.db2.gz DWMUYUDLHGRESZ-ZJUUUORDSA-N 0 0 168.284 2.170 10 30 AEEERN CC(C)=C1C(=O)[C@H]2CC=C[C@H]12 196432817 571983896 /nfs/dbraw/zinc/98/38/96/571983896.db2.gz YIPYDGKDFXCWCF-YUMQZZPRSA-N 0 0 148.205 2.098 10 30 AEEERN C[C@@](N)(C#N)Cc1ccccc1Cl 41206913 571983898 /nfs/dbraw/zinc/98/38/98/571983898.db2.gz LEBSHYWNORFPCH-JTQLQIEISA-N 0 0 194.665 2.123 10 30 AEEERN CC1(C)[C@H]2C=CC(=O)CC[C@@H]21 196433954 571983902 /nfs/dbraw/zinc/98/39/02/571983902.db2.gz KWJOKSSVHGTBHD-IUCAKERBSA-N 0 0 150.221 2.178 10 30 AEEERN FC1(C=NOC2CCCC2)CC1 388404584 571983971 /nfs/dbraw/zinc/98/39/71/571983971.db2.gz RBJTXBRWYPJFLI-UHFFFAOYSA-N 0 0 171.215 2.434 10 30 AEEERN CC[C@@H](C=O)c1ccc2c(c1)OCO2 41205830 571983974 /nfs/dbraw/zinc/98/39/74/571983974.db2.gz RZNKHPZOYLPFFP-QMMMGPOBSA-N 0 0 192.214 2.108 10 30 AEEERN C/C(=C/Cl)C[C@]1(C#N)CCOC1 388405797 571984048 /nfs/dbraw/zinc/98/40/48/571984048.db2.gz SGYNUMQRNWCZIG-RDOCRHDPSA-N 0 0 185.654 2.449 10 30 AEEERN CC(C)=C[C@@H]1[C@H](C=O)C1(C)C 13512642 571984349 /nfs/dbraw/zinc/98/43/49/571984349.db2.gz NQLKPDBZZUIQGM-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN CC(Cc1ccccc1F)=NO 388404766 571984250 /nfs/dbraw/zinc/98/42/50/571984250.db2.gz RJVPRCPDCBXXAL-UHFFFAOYSA-N 0 0 167.183 2.218 10 30 AEEERN CCN[C@H](C#N)[C@@H](C)CC(C)C 300847666 571984403 /nfs/dbraw/zinc/98/44/03/571984403.db2.gz DWMUYUDLHGRESZ-VHSXEESVSA-N 0 0 168.284 2.170 10 30 AEEERN CC(C)=C[C@H]1[C@H](C=O)C1(C)C 13512645 571984686 /nfs/dbraw/zinc/98/46/86/571984686.db2.gz NQLKPDBZZUIQGM-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCN(C(=O)C(C)(C)C)C(C)C 81560692 571984760 /nfs/dbraw/zinc/98/47/60/571984760.db2.gz UATAAZOEPHOGPD-UHFFFAOYSA-N 0 0 183.295 2.456 10 30 AEEERN CCN[C@@H](C#N)[C@@H](C)CC(C)C 300847662 571984780 /nfs/dbraw/zinc/98/47/80/571984780.db2.gz DWMUYUDLHGRESZ-UWVGGRQHSA-N 0 0 168.284 2.170 10 30 AEEERN CC(=O)C[C@H](C=O)Cc1ccccc1 238113270 571986392 /nfs/dbraw/zinc/98/63/92/571986392.db2.gz JRCURGBINRBTEM-LBPRGKRZSA-N 0 0 190.242 2.023 10 30 AEEERN CCCCN(CC=O)c1ccccc1 81582879 571986050 /nfs/dbraw/zinc/98/60/50/571986050.db2.gz OYZZPXBBFGDCDW-UHFFFAOYSA-N 0 0 191.274 2.492 10 30 AEEERN CCC1=CC(=O)CC(C)(C)O1 196165416 571986111 /nfs/dbraw/zinc/98/61/11/571986111.db2.gz XWNWIDXXIFTZGG-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C=CC(=O)Cc1cccc(OC)c1F 234888411 571986914 /nfs/dbraw/zinc/98/69/14/571986914.db2.gz PCEOFEOECWHKHM-UHFFFAOYSA-N 0 0 194.205 2.132 10 30 AEEERN CCCC1=C(OC)[C@H](C)SC1=O 13673317 571987495 /nfs/dbraw/zinc/98/74/95/571987495.db2.gz KCEHKMLWUJLJOR-LURJTMIESA-N 0 0 186.276 2.349 10 30 AEEERN CC(C)C[C@@H](C)C[C@@](C)(O)CC=O 300851298 571987015 /nfs/dbraw/zinc/98/70/15/571987015.db2.gz FIXGAVXGOAGRJE-MNOVXSKESA-N 0 0 186.295 2.399 10 30 AEEERN CC=CC(=O)Cc1cccc(OC)c1 234890875 571987063 /nfs/dbraw/zinc/98/70/63/571987063.db2.gz ZBPXZKHSYKCOGR-HWKANZROSA-N 0 0 190.242 2.383 10 30 AEEERN CCCCC#CC[C@@H](O)CC 196168622 571987097 /nfs/dbraw/zinc/98/70/97/571987097.db2.gz MIQSNVQFOYNLBA-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN CC(C)C1=CC(=O)CC(C)(C)O1 196165424 571987151 /nfs/dbraw/zinc/98/71/51/571987151.db2.gz ZBGHKXZWQJSFAC-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C/C=C(C)/C=C/C(C)=O 196165087 571987163 /nfs/dbraw/zinc/98/71/63/571987163.db2.gz UNBOWFBNZBFFKK-HVUXDCMCSA-N 0 0 124.183 2.098 10 30 AEEERN CCC1=C(C)C(=O)CC(C)(C)O1 196165405 571987185 /nfs/dbraw/zinc/98/71/85/571987185.db2.gz DWUOXAJYRKHJBF-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN CC(C)C[C@H](C)C[C@](C)(O)CC=O 300851304 571987292 /nfs/dbraw/zinc/98/72/92/571987292.db2.gz FIXGAVXGOAGRJE-WDEREUQCSA-N 0 0 186.295 2.399 10 30 AEEERN C=C1CCOc2cccc(N)c21 221296658 571987355 /nfs/dbraw/zinc/98/73/55/571987355.db2.gz VZSPOGYFPGREMN-UHFFFAOYSA-N 0 0 161.204 2.065 10 30 AEEERN COc1cccc2c(CC#N)nccc12 234902546 571987505 /nfs/dbraw/zinc/98/75/05/571987505.db2.gz DQLGCGPKARFULE-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN C=C[C@H]1CCOc2cccc(O)c21 196163133 571988009 /nfs/dbraw/zinc/98/80/09/571988009.db2.gz ACGKGQVRQUTKIT-QMMMGPOBSA-N 0 0 176.215 2.444 10 30 AEEERN CCCC1=C(OC)[C@@H](C)SC1=O 13673315 571988067 /nfs/dbraw/zinc/98/80/67/571988067.db2.gz KCEHKMLWUJLJOR-ZCFIWIBFSA-N 0 0 186.276 2.349 10 30 AEEERN C=CCC[C@]1(CO)CCO[C@@H]1C1CC1 404422161 571988177 /nfs/dbraw/zinc/98/81/77/571988177.db2.gz CVIZWDCMFSVIFS-VXGBXAGGSA-N 0 0 196.290 2.130 10 30 AEEERN Cc1ccn(-c2ccccc2CC#N)n1 114045182 571989266 /nfs/dbraw/zinc/98/92/66/571989266.db2.gz PHTUCAZFFGVMQH-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C=CC1=C(C)C(=O)CC1(C)C 139955037 571989279 /nfs/dbraw/zinc/98/92/79/571989279.db2.gz VTNNMRPYBKBZMZ-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCC[C@]1(CO)CCO[C@H]1C1CC1 404422159 571989362 /nfs/dbraw/zinc/98/93/62/571989362.db2.gz CVIZWDCMFSVIFS-NWDGAFQWSA-N 0 0 196.290 2.130 10 30 AEEERN C[C@@H](C#N)c1cnc(-c2cccnc2)o1 74236297 571989517 /nfs/dbraw/zinc/98/95/17/571989517.db2.gz VLEJJYWDZVDMOA-QMMMGPOBSA-N 0 0 199.213 2.364 10 30 AEEERN C=CCC[C@@]1(CO)CCO[C@H]1C1CC1 404422160 571989745 /nfs/dbraw/zinc/98/97/45/571989745.db2.gz CVIZWDCMFSVIFS-RYUDHWBXSA-N 0 0 196.290 2.130 10 30 AEEERN C=C(C)Cc1cc(C#N)ccc1O 139941986 571989793 /nfs/dbraw/zinc/98/97/93/571989793.db2.gz XXCDXWJSFCHQRN-UHFFFAOYSA-N 0 0 173.215 2.382 10 30 AEEERN C=CC[C@H]1CCC[C@H]1C=O 206894299 571990013 /nfs/dbraw/zinc/99/00/13/571990013.db2.gz VAEVLFARADVKQP-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)[C@H]1CCC(=O)C=C1C 206902547 571990263 /nfs/dbraw/zinc/99/02/63/571990263.db2.gz CWRPSUHIWDAIBF-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@H]1[C@H](C)C(=O)CC1(C)C 139954421 571991216 /nfs/dbraw/zinc/99/12/16/571991216.db2.gz UVBIZMHDIRGIHW-YUMQZZPRSA-N 0 0 152.237 2.424 10 30 AEEERN O/N=C1\CCC[C@H](C2CC2)C1 81648976 571990924 /nfs/dbraw/zinc/99/09/24/571990924.db2.gz RYCIDMDGQKWLFD-VPOJCXOPSA-N 0 0 153.225 2.417 10 30 AEEERN Cc1ccc(C#CCCC=O)cc1 196177145 571990514 /nfs/dbraw/zinc/99/05/14/571990514.db2.gz SFWXWZDBULCKKR-UHFFFAOYSA-N 0 0 172.227 2.326 10 30 AEEERN C=C[C@@H]1C[C@H](F)C1(F)F 139919073 571990581 /nfs/dbraw/zinc/99/05/81/571990581.db2.gz ZIJZIDONVYTGEZ-UHNVWZDZSA-N 0 0 136.116 2.166 10 30 AEEERN C=C(CO)SC(CC)CC 196175406 571990594 /nfs/dbraw/zinc/99/05/94/571990594.db2.gz MUDMJONOBRQHDE-UHFFFAOYSA-N 0 0 160.282 2.414 10 30 AEEERN C=C1C=CC=C(C(F)(F)F)C1=O 139957378 571990681 /nfs/dbraw/zinc/99/06/81/571990681.db2.gz NSKVXCZPYSSOHV-UHFFFAOYSA-N 0 0 174.121 2.170 10 30 AEEERN C=CC[C@H]1CCC[C@@H]1C=O 206894256 571990785 /nfs/dbraw/zinc/99/07/85/571990785.db2.gz VAEVLFARADVKQP-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C/C(=N\C#N)c1ccc(F)cc1 197890928 571990799 /nfs/dbraw/zinc/99/07/99/571990799.db2.gz DWFDWMAZLLGULS-KPKJPENVSA-N 0 0 162.167 2.116 10 30 AEEERN C=C(C)CNN=C1CCCSC1 393443436 571991087 /nfs/dbraw/zinc/99/10/87/571991087.db2.gz PWICXJJZKPNTRS-UHFFFAOYSA-N 0 0 184.308 2.035 10 30 AEEERN Cc1ccc([C@H](C#N)N(C)C)s1 41677090 571991118 /nfs/dbraw/zinc/99/11/18/571991118.db2.gz HSJDYRCDQAQOGR-QMMMGPOBSA-N 0 0 180.276 2.183 10 30 AEEERN CC12CCC(CC1)[C@@](C)(CC=O)O2 196176305 571991473 /nfs/dbraw/zinc/99/14/73/571991473.db2.gz OFJPDEHDXLJBOU-VQXHTEKXSA-N 0 0 182.263 2.313 10 30 AEEERN C=C[C@@H]1[C@H](C)C(=O)CC1(C)C 139954610 571991648 /nfs/dbraw/zinc/99/16/48/571991648.db2.gz UVBIZMHDIRGIHW-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C=C(C(F)(F)F)C=CC1=O 139957243 571991615 /nfs/dbraw/zinc/99/16/15/571991615.db2.gz FNHPYQHLSLRSIH-UHFFFAOYSA-N 0 0 174.121 2.170 10 30 AEEERN C=CO[C@@H](C=O)c1ccccc1 238103631 571991893 /nfs/dbraw/zinc/99/18/93/571991893.db2.gz TZCJERHCOZRSGH-JTQLQIEISA-N 0 0 162.188 2.087 10 30 AEEERN C#Cc1ccc(Cl)cc1O 140037581 571992159 /nfs/dbraw/zinc/99/21/59/571992159.db2.gz DEWDKURMINHWIK-UHFFFAOYSA-N 0 0 152.580 2.027 10 30 AEEERN CCC1=C2CCC[C@H]2CC1=O 140011950 571992399 /nfs/dbraw/zinc/99/23/99/571992399.db2.gz VNTTXUFIFHWPAI-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN CC(C)(C)CCc1noc(CC#N)n1 300862521 571992578 /nfs/dbraw/zinc/99/25/78/571992578.db2.gz MFKNSFUQHACXBA-UHFFFAOYSA-N 0 0 193.250 2.114 10 30 AEEERN C=C(OCC)C(=O)/C(C)=C/CC 100328570 571992633 /nfs/dbraw/zinc/99/26/33/571992633.db2.gz JTBUWGJUOKKYBR-BQYQJAHWSA-N 0 0 168.236 2.462 10 30 AEEERN Cc1ccc([C@@H](C#N)N(C)C)s1 41677086 571992737 /nfs/dbraw/zinc/99/27/37/571992737.db2.gz HSJDYRCDQAQOGR-MRVPVSSYSA-N 0 0 180.276 2.183 10 30 AEEERN CC[C@H]1C(=O)C=C2CCC[C@@H]21 139994282 571993167 /nfs/dbraw/zinc/99/31/67/571993167.db2.gz PDYTYNXOXFOQHR-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN O=C1C=C(OCC2CC2)CCC1 13836338 571993261 /nfs/dbraw/zinc/99/32/61/571993261.db2.gz FRJUYACBYAXWRQ-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN C=C(CO)Cc1c[nH]c2ccccc12 140035314 571993598 /nfs/dbraw/zinc/99/35/98/571993598.db2.gz KRLQOQXWAVJKLZ-UHFFFAOYSA-N 0 0 187.242 2.259 10 30 AEEERN C#CC[C@@H](O)C/C=C\c1ccccc1 218076457 571993840 /nfs/dbraw/zinc/99/38/40/571993840.db2.gz APARLKNVSQADHW-AGEOTTOMSA-N 0 0 186.254 2.474 10 30 AEEERN CC[C@H]1C(=O)C=C2CCC[C@H]21 139993997 571993870 /nfs/dbraw/zinc/99/38/70/571993870.db2.gz PDYTYNXOXFOQHR-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C(=O)C1CC1)=C1CC1 206990741 571994027 /nfs/dbraw/zinc/99/40/27/571994027.db2.gz GGZUGIIQOFWXIG-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN CC1=C[C@@](C)(C=O)CCC1 139979647 571994042 /nfs/dbraw/zinc/99/40/42/571994042.db2.gz NEKQBCMIUGOLJT-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H](S)C(=O)OCCC(C)(C)C 235565474 571994081 /nfs/dbraw/zinc/99/40/81/571994081.db2.gz PBYUDCKWCCSKQX-ZETCQYMHSA-N 0 0 190.308 2.284 10 30 AEEERN N#CCc1cc(-c2ccco2)ns1 74274474 571994633 /nfs/dbraw/zinc/99/46/33/571994633.db2.gz JNTKRINVIXLZMR-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN CC[C@H]1C[C@H]1Nc1cc(C#N)ccn1 234127733 571995148 /nfs/dbraw/zinc/99/51/48/571995148.db2.gz LTCLTNPSPFJNNN-VHSXEESVSA-N 0 0 187.246 2.164 10 30 AEEERN CC(=O)/C=C\c1occc1C 219498264 571995240 /nfs/dbraw/zinc/99/52/40/571995240.db2.gz FZKUTIWCKUGLIF-ARJAWSKDSA-N 0 0 150.177 2.190 10 30 AEEERN CCCCCCCCN(C)C=O 113527734 571995547 /nfs/dbraw/zinc/99/55/47/571995547.db2.gz XKWHZTVTAOGBNJ-UHFFFAOYSA-N 0 0 171.284 2.435 10 30 AEEERN C=CCc1c(O)ccc2c1OCCC2 200495472 571995720 /nfs/dbraw/zinc/99/57/20/571995720.db2.gz JNKICFPSQWWRPH-UHFFFAOYSA-N 0 0 190.242 2.446 10 30 AEEERN CO/N=C1/c2ccccc2CC[C@H]1F 711508765 571995730 /nfs/dbraw/zinc/99/57/30/571995730.db2.gz ZFRNFGPKZBWHSH-QGDAWOFLSA-N 0 0 193.221 2.321 10 30 AEEERN O=C(CS)c1ccccc1Cl 140083804 571995749 /nfs/dbraw/zinc/99/57/49/571995749.db2.gz XBEYQKOHDOFGPZ-UHFFFAOYSA-N 0 0 186.663 2.453 10 30 AEEERN CC(C)(C)OCC1(C=O)CCC1 317191616 571996139 /nfs/dbraw/zinc/99/61/39/571996139.db2.gz IILHTABPJYNDQB-UHFFFAOYSA-N 0 0 170.252 2.171 10 30 AEEERN CC(C)CCC[C@]1(C)O[C@H]1C=O 238151385 571996501 /nfs/dbraw/zinc/99/65/01/571996501.db2.gz XILWBYMDJXZHFJ-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(CC)CC1(C=O)CCOCC1 317239071 571996547 /nfs/dbraw/zinc/99/65/47/571996547.db2.gz MBSYFDJYRZRLQV-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN CC(C)CCCC[C@H]1O[C@@H]1C=O 238141614 571996993 /nfs/dbraw/zinc/99/69/93/571996993.db2.gz UDRBJAPHYXEOOM-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN CCCC1(CCC)CC(=CO)C(=O)O1 238197647 571997208 /nfs/dbraw/zinc/99/72/08/571997208.db2.gz KOXSLYNHSLRXOE-VIFPVBQESA-N 0 0 198.262 2.087 10 30 AEEERN CC(C)[C@@H]1O[C@H]1C(C)C 39131803 571997989 /nfs/dbraw/zinc/99/79/89/571997989.db2.gz IKASFLJHSHDRIQ-YUMQZZPRSA-N 0 0 128.215 2.066 10 30 AEEERN CC1(C)CCC[C@@]2(C)O[C@@H]12 39131975 571997871 /nfs/dbraw/zinc/99/78/71/571997871.db2.gz AHIVAUWCTZBWNE-IONNQARKSA-N 0 0 140.226 2.354 10 30 AEEERN CC(C)[C@@H](C=O)C[C@H]1CCCO1 238157645 571997909 /nfs/dbraw/zinc/99/79/09/571997909.db2.gz FVBVSDBTBNZLCC-NXEZZACHSA-N 0 0 170.252 2.027 10 30 AEEERN C[C@@H](c1ccccc1)n1ccnc1C#N 59955427 571998289 /nfs/dbraw/zinc/99/82/89/571998289.db2.gz CUHCCFWUDHOXSN-JTQLQIEISA-N 0 0 197.241 2.364 10 30 AEEERN CC[C@@H](C)Oc1cccc(N)c1C#N 118835301 571998101 /nfs/dbraw/zinc/99/81/01/571998101.db2.gz GFYMQFYCHDNFQW-MRVPVSSYSA-N 0 0 190.246 2.318 10 30 AEEERN C=CCCc1n[nH]c(C)c1C 39134108 571998181 /nfs/dbraw/zinc/99/81/81/571998181.db2.gz UXKYXKWZBBOTOO-UHFFFAOYSA-N 0 0 150.225 2.145 10 30 AEEERN C=CCCC/C=C/[C@@H](C)O 207050660 571998268 /nfs/dbraw/zinc/99/82/68/571998268.db2.gz XARJQOILDGZFLH-FCZSHJHJSA-N 0 0 140.226 2.280 10 30 AEEERN CC(C)/C=C\C(=O)[C@@H](C)CCC=O 213028674 571998473 /nfs/dbraw/zinc/99/84/73/571998473.db2.gz WEKISVKETCQFFQ-GFVADAIESA-N 0 0 182.263 2.383 10 30 AEEERN C[C@H](O)[C@H](C)O[C@@H](C#N)CC(C)(C)C 235573168 571998629 /nfs/dbraw/zinc/99/86/29/571998629.db2.gz JSSGJFIWYFXXHK-LPEHRKFASA-N 0 0 199.294 2.101 10 30 AEEERN C=CCCC[C@H]1OC(C)(C)O[C@@H]1C=O 238188302 571998639 /nfs/dbraw/zinc/99/86/39/571998639.db2.gz GONHQDRRSAUBKV-NXEZZACHSA-N 0 0 198.262 2.062 10 30 AEEERN C#CCc1cccc(C)c1 149285812 571998822 /nfs/dbraw/zinc/99/88/22/571998822.db2.gz KZCDYWSQDXGJOK-UHFFFAOYSA-N 0 0 130.190 2.171 10 30 AEEERN C=CCSc1nccc(C)n1 39203641 571998978 /nfs/dbraw/zinc/99/89/78/571998978.db2.gz QUYDMKWGFXTGJW-UHFFFAOYSA-N 0 0 166.249 2.063 10 30 AEEERN COc1ccc(F)cc1C[C@]1(C)CO1 219532824 571999064 /nfs/dbraw/zinc/99/90/64/571999064.db2.gz KPIZGAOEJVYERV-LLVKDONJSA-N 0 0 196.221 2.166 10 30 AEEERN c1ccc2ncc([C@@H]3CO3)cc2c1 39238595 571999086 /nfs/dbraw/zinc/99/90/86/571999086.db2.gz BLDQKNMMKCUZPJ-NSHDSACASA-N 0 0 171.199 2.306 10 30 AEEERN CCCCCC#C/C=C/C#CCO 207057312 571999172 /nfs/dbraw/zinc/99/91/72/571999172.db2.gz BRJLNQBTVWMEOQ-CMDGGOBGSA-N 0 0 176.259 2.122 10 30 AEEERN c1ccc2ncc([C@H]3CO3)cc2c1 39238596 571999466 /nfs/dbraw/zinc/99/94/66/571999466.db2.gz BLDQKNMMKCUZPJ-LLVKDONJSA-N 0 0 171.199 2.306 10 30 AEEERN C=CCCC(=O)C(C)C 36683800 571999703 /nfs/dbraw/zinc/99/97/03/571999703.db2.gz NJAYZISKWWQCJX-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)C(=O)NCc1ccc(C)cc1 149268896 571999760 /nfs/dbraw/zinc/99/97/60/571999760.db2.gz XYDLZZGEZHLOJB-UHFFFAOYSA-N 0 0 189.258 2.187 10 30 AEEERN C[C@H](c1ccccc1)n1ccnc1C#N 59955434 571999856 /nfs/dbraw/zinc/99/98/56/571999856.db2.gz CUHCCFWUDHOXSN-SNVBAGLBSA-N 0 0 197.241 2.364 10 30 AEEERN C=C[C@H](C)Oc1ccc(CCO)cc1 235574511 571999926 /nfs/dbraw/zinc/99/99/26/571999926.db2.gz GCHHHCCRZDOCBW-JTQLQIEISA-N 0 0 192.258 2.175 10 30 AEEERN O=C1CCCC/C1=C\N1CCCCC1 39206697 572000056 /nfs/dbraw/zinc/00/00/56/572000056.db2.gz MTCMGGMYHZQSTF-ZHACJKMWSA-N 0 0 193.290 2.499 10 30 AEEERN CCc1[nH]c2ccoc2c1C#N 74341895 572000235 /nfs/dbraw/zinc/00/02/35/572000235.db2.gz JYXDHVHSGANYEU-UHFFFAOYSA-N 0 0 160.176 2.195 10 30 AEEERN CC(C)(C)C1CC(=O)CC(=O)C1 59919329 572000240 /nfs/dbraw/zinc/00/02/40/572000240.db2.gz BBKGWGPJPKDIJW-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 AEEERN CC(=NN)[C@H]1C[C@@H]1c1cccs1 393449693 572000363 /nfs/dbraw/zinc/00/03/63/572000363.db2.gz CRLXPKTZEGVROM-SFYZADRCSA-N 0 0 180.276 2.186 10 30 AEEERN C[C@@]1(c2ccccc2)C[C@@H]1C#N 33950103 572001722 /nfs/dbraw/zinc/00/17/22/572001722.db2.gz NXEGBZUVVOEMCE-MNOVXSKESA-N 0 0 157.216 2.488 10 30 AEEERN CC(C)(C)CCC(=O)C(C#N)C#N 300879373 572002064 /nfs/dbraw/zinc/00/20/64/572002064.db2.gz OIVIIRLVEATOQW-UHFFFAOYSA-N 0 0 178.235 2.045 10 30 AEEERN CCCNN=C1CC[C@H]1C1CC1 393450181 572002029 /nfs/dbraw/zinc/00/20/29/572002029.db2.gz CUZPRHBBYHMSLK-VIFPVBQESA-N 0 0 166.268 2.162 10 30 AEEERN C[C@H](C#N)COCc1ccccc1 34080274 572002469 /nfs/dbraw/zinc/00/24/69/572002469.db2.gz ZBSGERAQHPRQOJ-SNVBAGLBSA-N 0 0 175.231 2.363 10 30 AEEERN CC[C@@H]1C[C@@H]1CCC#N 167908630 572002901 /nfs/dbraw/zinc/00/29/01/572002901.db2.gz KKGFTJUHGHAZAY-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN CC(C)CC[C@@H](C)N[C@H](C)C#N 68944688 572003670 /nfs/dbraw/zinc/00/36/70/572003670.db2.gz ULTGUPXWZKHNRQ-NXEZZACHSA-N 0 0 168.284 2.313 10 30 AEEERN CCCCC[C@@H](C=O)CCC=O 238232295 572003721 /nfs/dbraw/zinc/00/37/21/572003721.db2.gz LJBUVGFIMWVTQQ-SNVBAGLBSA-N 0 0 170.252 2.361 10 30 AEEERN SCCCn1cc(C2CCC2)cn1 402001475 572004254 /nfs/dbraw/zinc/00/42/54/572004254.db2.gz ANNLWSRTUXURII-UHFFFAOYSA-N 0 0 196.319 2.471 10 30 AEEERN Cc1c(-c2ccccc2)[nH]c(N)c1C#N 34380952 572004263 /nfs/dbraw/zinc/00/42/63/572004263.db2.gz BKPMMOWMLAPMOS-UHFFFAOYSA-N 0 0 197.241 2.444 10 30 AEEERN C=CCC(=O)CCOCCCC 687697364 572004966 /nfs/dbraw/zinc/00/49/66/572004966.db2.gz BDPKCJCVDDAOOJ-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C#CCCCSc1nc(C)co1 235815522 572005045 /nfs/dbraw/zinc/00/50/45/572005045.db2.gz IEJZJRMSICTQFO-UHFFFAOYSA-N 0 0 181.260 2.489 10 30 AEEERN C/C(=C\c1cccc(C#N)c1)[N+](=O)[O-] 34410624 572005083 /nfs/dbraw/zinc/00/50/83/572005083.db2.gz KIJATRMBSCGLFJ-VMPITWQZSA-N 0 0 188.186 2.196 10 30 AEEERN CCOCc1ccc(F)c(C#N)c1 233767789 572005203 /nfs/dbraw/zinc/00/52/03/572005203.db2.gz BVNSLQJZCVFIJV-UHFFFAOYSA-N 0 0 179.194 2.234 10 30 AEEERN C#Cc1ccc(N2CCCC2)cc1 114134750 572005284 /nfs/dbraw/zinc/00/52/84/572005284.db2.gz RPVQIDCVZQHAKF-UHFFFAOYSA-N 0 0 171.243 2.268 10 30 AEEERN CC(C)CC[C@@H](C)N[C@@H](C)C#N 68944684 572005543 /nfs/dbraw/zinc/00/55/43/572005543.db2.gz ULTGUPXWZKHNRQ-ZJUUUORDSA-N 0 0 168.284 2.313 10 30 AEEERN N#Cc1ccncc1Nc1ccccn1 687697785 572005669 /nfs/dbraw/zinc/00/56/69/572005669.db2.gz IFFWSBRXXBUKKP-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN CC(C)CC[C@H](C)N[C@@H](C)C#N 68944686 572005851 /nfs/dbraw/zinc/00/58/51/572005851.db2.gz ULTGUPXWZKHNRQ-UWVGGRQHSA-N 0 0 168.284 2.313 10 30 AEEERN N#C[C@@H]1Cc2ccccc2C[C@H]1C#N 34618499 572006330 /nfs/dbraw/zinc/00/63/30/572006330.db2.gz ZUXWLZJSNANPAN-RYUDHWBXSA-N 0 0 182.226 2.065 10 30 AEEERN C=CCc1cc(C)ccc1O 238253314 572006278 /nfs/dbraw/zinc/00/62/78/572006278.db2.gz DQCUUNASVNHOSK-VIFPVBQESA-N 0 0 148.205 2.264 10 30 AEEERN CCO/C=N/c1ccccc1C#N 34622030 572006930 /nfs/dbraw/zinc/00/69/30/572006930.db2.gz XAEIIBRWOPKPFQ-XYOKQWHBSA-N 0 0 174.203 2.255 10 30 AEEERN CCOCCC1=CC(=O)C[C@@H](C)C1 687697900 572007028 /nfs/dbraw/zinc/00/70/28/572007028.db2.gz UTYBXHLFOGQHEX-VIFPVBQESA-N 0 0 182.263 2.338 10 30 AEEERN CC[C@@H](C)SC[C@](N)(C#N)C1CC1 68907902 572007121 /nfs/dbraw/zinc/00/71/21/572007121.db2.gz SZRFNKUEENUHDD-PSASIEDQSA-N 0 0 198.335 2.149 10 30 AEEERN CCCN[C@@](C#N)(CSC)C1CC1 68909798 572007134 /nfs/dbraw/zinc/00/71/34/572007134.db2.gz KOMMTCQBIIWGQE-JTQLQIEISA-N 0 0 198.335 2.021 10 30 AEEERN CC(C)(C)SC[C@](N)(C#N)C1CC1 68907995 572007168 /nfs/dbraw/zinc/00/71/68/572007168.db2.gz VFAJIJOQUHHGOT-SNVBAGLBSA-N 0 0 198.335 2.149 10 30 AEEERN CSC[C@](C#N)(NC(C)C)C1CC1 68909863 572007177 /nfs/dbraw/zinc/00/71/77/572007177.db2.gz BJPPSSUIDRZASP-JTQLQIEISA-N 0 0 198.335 2.020 10 30 AEEERN CCCCSC[C@](N)(C#N)C1CC1 68907482 572007339 /nfs/dbraw/zinc/00/73/39/572007339.db2.gz HNSNQRQURVDFAS-SNVBAGLBSA-N 0 0 198.335 2.151 10 30 AEEERN C[C@@H]1CC[C@@H](O)C2=CC(=O)CC[C@]21C 14511870 572007388 /nfs/dbraw/zinc/00/73/88/572007388.db2.gz LLXGJLLSVBRJSE-FXAINCCUSA-N 0 0 194.274 2.073 10 30 AEEERN CC(C)CSC[C@@](N)(C#N)C1CC1 68907528 572007437 /nfs/dbraw/zinc/00/74/37/572007437.db2.gz HAFRQFWDTFTYLE-JTQLQIEISA-N 0 0 198.335 2.007 10 30 AEEERN CCN[C@@](C#N)(CSCC)C1CC1 68907824 572007720 /nfs/dbraw/zinc/00/77/20/572007720.db2.gz KPZSVLNVAJXXAW-JTQLQIEISA-N 0 0 198.335 2.021 10 30 AEEERN CC[C@H](C)SC[C@](N)(C#N)C1CC1 68907903 572007826 /nfs/dbraw/zinc/00/78/26/572007826.db2.gz SZRFNKUEENUHDD-WCBMZHEXSA-N 0 0 198.335 2.149 10 30 AEEERN CCOCCC1=CC(=O)C[C@H](C)C1 687697899 572007867 /nfs/dbraw/zinc/00/78/67/572007867.db2.gz UTYBXHLFOGQHEX-SECBINFHSA-N 0 0 182.263 2.338 10 30 AEEERN CCC[C@H](C#N)[C@H](O)[C@H]1CCSC1 300230493 572008015 /nfs/dbraw/zinc/00/80/15/572008015.db2.gz ANKHKWHMNAEVDK-UTLUCORTSA-N 0 0 199.319 2.040 10 30 AEEERN CC(C)CSC[C@](N)(C#N)C1CC1 68907531 572008032 /nfs/dbraw/zinc/00/80/32/572008032.db2.gz HAFRQFWDTFTYLE-SNVBAGLBSA-N 0 0 198.335 2.007 10 30 AEEERN CC[C@H](C)SC[C@@](N)(C#N)C1CC1 68907894 572007926 /nfs/dbraw/zinc/00/79/26/572007926.db2.gz SZRFNKUEENUHDD-WPRPVWTQSA-N 0 0 198.335 2.149 10 30 AEEERN CC[C@H](C#N)N(CC)CC1CC1 68946978 572008216 /nfs/dbraw/zinc/00/82/16/572008216.db2.gz HXAXAIHHJHNKJP-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CCCCSC[C@@](N)(C#N)C1CC1 68907478 572008250 /nfs/dbraw/zinc/00/82/50/572008250.db2.gz HNSNQRQURVDFAS-JTQLQIEISA-N 0 0 198.335 2.151 10 30 AEEERN CCN[C@](C#N)(CSCC)C1CC1 68907821 572008326 /nfs/dbraw/zinc/00/83/26/572008326.db2.gz KPZSVLNVAJXXAW-SNVBAGLBSA-N 0 0 198.335 2.021 10 30 AEEERN CC[C@@H](C#N)N(CC)CC1CC1 68946976 572008384 /nfs/dbraw/zinc/00/83/84/572008384.db2.gz HXAXAIHHJHNKJP-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN CN[C@](C#N)(CSC(C)C)C1CC1 68909720 572008814 /nfs/dbraw/zinc/00/88/14/572008814.db2.gz UOMZWLMGAFGQTB-SNVBAGLBSA-N 0 0 198.335 2.020 10 30 AEEERN CC1=C2CC[C@H](O)C[C@H](C)[C@@H]2CC1=O 14615345 572009326 /nfs/dbraw/zinc/00/93/26/572009326.db2.gz BVWWHXHKKRXXQM-ARENWVFISA-N 0 0 194.274 2.073 10 30 AEEERN CCOc1nccc(C#N)c1Cl 233787263 572009858 /nfs/dbraw/zinc/00/98/58/572009858.db2.gz VLUHGKGZXZNAEL-UHFFFAOYSA-N 0 0 182.610 2.005 10 30 AEEERN Cc1ccc(NCCC#N)c(O)c1 33432740 572010103 /nfs/dbraw/zinc/01/01/03/572010103.db2.gz FJNRDSLZNZEMOK-UHFFFAOYSA-N 0 0 176.219 2.026 10 30 AEEERN CCOc1cccc2[nH]cc(C#N)c12 233789647 572010107 /nfs/dbraw/zinc/01/01/07/572010107.db2.gz LMUSWCFWTDUODR-UHFFFAOYSA-N 0 0 186.214 2.438 10 30 AEEERN Cc1ccc(O)c(NCCC#N)c1 33432739 572010257 /nfs/dbraw/zinc/01/02/57/572010257.db2.gz QZIQERMREQPNOG-UHFFFAOYSA-N 0 0 176.219 2.026 10 30 AEEERN C#CC[C@H](O)c1nccc2ccccc12 68958891 572010522 /nfs/dbraw/zinc/01/05/22/572010522.db2.gz YZWZHMNQWRWJQI-LBPRGKRZSA-N 0 0 197.237 2.292 10 30 AEEERN CCCc1cnn(CCCS)c1 402054732 572010533 /nfs/dbraw/zinc/01/05/33/572010533.db2.gz QDSLSVQICVCYPI-UHFFFAOYSA-N 0 0 184.308 2.156 10 30 AEEERN Cn1c(C(=O)CC#N)cc2ccccc21 75124402 572010658 /nfs/dbraw/zinc/01/06/58/572010658.db2.gz YVJVZFKNFXIPDI-UHFFFAOYSA-N 0 0 198.225 2.275 10 30 AEEERN C[C@H](C#N)CC(=O)c1cccs1 33426684 572010962 /nfs/dbraw/zinc/01/09/62/572010962.db2.gz HGTOSAWLXBMDFQ-ZETCQYMHSA-N 0 0 179.244 2.481 10 30 AEEERN CC1=C2CC[C@H](O)C[C@@H](C)[C@@H]2CC1=O 14615344 572010992 /nfs/dbraw/zinc/01/09/92/572010992.db2.gz BVWWHXHKKRXXQM-HDBBIHSSSA-N 0 0 194.274 2.073 10 30 AEEERN C=C(C)C1=CC(=O)[C@@H](C)CC1 14588454 572011145 /nfs/dbraw/zinc/01/11/45/572011145.db2.gz NETFCXRVZRPAMW-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN N#CCCOCc1ccccc1F 68954362 572011239 /nfs/dbraw/zinc/01/12/39/572011239.db2.gz STUQVMFQKIPYSJ-UHFFFAOYSA-N 0 0 179.194 2.256 10 30 AEEERN C[C@H](CC#N)C(=O)c1cccs1 33426628 572011307 /nfs/dbraw/zinc/01/13/07/572011307.db2.gz KXJVQFGYHALNQZ-SSDOTTSWSA-N 0 0 179.244 2.481 10 30 AEEERN CCC=CC(=O)Cc1ccc(O)cc1 687698510 572011848 /nfs/dbraw/zinc/01/18/48/572011848.db2.gz HBEKBQYLIDJWPR-ARJAWSKDSA-N 0 0 190.242 2.470 10 30 AEEERN C#CCN[C@@](C#N)(CC)CCCC 68988669 572011925 /nfs/dbraw/zinc/01/19/25/572011925.db2.gz UFBSUBBTWRLIHF-NSHDSACASA-N 0 0 178.279 2.072 10 30 AEEERN C#CCNc1ccc(-c2cnco2)cc1 68990876 572012003 /nfs/dbraw/zinc/01/20/03/572012003.db2.gz CAYXCGOTZWCREO-UHFFFAOYSA-N 0 0 198.225 2.387 10 30 AEEERN CCn1nc2ccccc2c1CC#N 219649323 572012028 /nfs/dbraw/zinc/01/20/28/572012028.db2.gz NMFJHAWJHQPFDL-UHFFFAOYSA-N 0 0 185.230 2.122 10 30 AEEERN CC(C)N[C@H](C#N)c1cccc(C#N)c1 34973826 572012068 /nfs/dbraw/zinc/01/20/68/572012068.db2.gz RLWOHCUJMUIHME-GFCCVEGCSA-N 0 0 199.257 2.121 10 30 AEEERN CCn1nc2ccc(C)cc2c1C#N 219649708 572012534 /nfs/dbraw/zinc/01/25/34/572012534.db2.gz YILYBZINLVLVIP-UHFFFAOYSA-N 0 0 185.230 2.236 10 30 AEEERN C#CCN[C@](C#N)(CC)CCCC 68988673 572012360 /nfs/dbraw/zinc/01/23/60/572012360.db2.gz UFBSUBBTWRLIHF-LLVKDONJSA-N 0 0 178.279 2.072 10 30 AEEERN CCCC[C@](C#N)(CC)NC 68988445 572012383 /nfs/dbraw/zinc/01/23/83/572012383.db2.gz KOVGBNHSHCKRQH-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN C=C(C)C(=O)Cc1cccc(O)c1 687698407 572012449 /nfs/dbraw/zinc/01/24/49/572012449.db2.gz PJVXEWCGHQDDFL-UHFFFAOYSA-N 0 0 176.215 2.080 10 30 AEEERN C=C(C)C[C@H](NN)[C@@H]1CCC[C@H]1C 300231542 572012494 /nfs/dbraw/zinc/01/24/94/572012494.db2.gz DDKGQGBJWQKLCA-MXWKQRLJSA-N 0 0 182.311 2.221 10 30 AEEERN CCn1nc2cc(C)ccc2c1C#N 219649910 572012671 /nfs/dbraw/zinc/01/26/71/572012671.db2.gz ARGNGMDONONIIG-UHFFFAOYSA-N 0 0 185.230 2.236 10 30 AEEERN CCCC[C@](C#N)(CC)NCCOC 68988676 572012737 /nfs/dbraw/zinc/01/27/37/572012737.db2.gz FFXZYFBBQSDMCN-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN C#CCNc1cccc(-c2cnco2)c1 68990936 572012781 /nfs/dbraw/zinc/01/27/81/572012781.db2.gz IADSNLCHGSSMIT-UHFFFAOYSA-N 0 0 198.225 2.387 10 30 AEEERN C[C@@H](C#N)C(=O)CC[C@H]1CCCCO1 68991815 572013821 /nfs/dbraw/zinc/01/38/21/572013821.db2.gz PMFLFSBMSITFCM-VHSXEESVSA-N 0 0 195.262 2.064 10 30 AEEERN C#CCNc1ccccc1COCC 68990741 572012884 /nfs/dbraw/zinc/01/28/84/572012884.db2.gz HKAJSAWZDBTYKL-UHFFFAOYSA-N 0 0 189.258 2.268 10 30 AEEERN CCCC[C@@](C#N)(CC)NCCOC 68988678 572013027 /nfs/dbraw/zinc/01/30/27/572013027.db2.gz FFXZYFBBQSDMCN-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN C#CCNc1cccc(-c2cc[nH]n2)c1 68990654 572013045 /nfs/dbraw/zinc/01/30/45/572013045.db2.gz ILSLCCOCZPDOPS-UHFFFAOYSA-N 0 0 197.241 2.122 10 30 AEEERN CCCC[C@](C#N)(CC)NCC 68988452 572013149 /nfs/dbraw/zinc/01/31/49/572013149.db2.gz PLITZFIHAQDDSV-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN C[C@H](C#N)C(=O)CC[C@@H]1CCCCO1 68991812 572013210 /nfs/dbraw/zinc/01/32/10/572013210.db2.gz PMFLFSBMSITFCM-ZJUUUORDSA-N 0 0 195.262 2.064 10 30 AEEERN CCCC[C@@](C#N)(CC)N(C)C 68989186 572014141 /nfs/dbraw/zinc/01/41/41/572014141.db2.gz RYMJKNLEMPSIHQ-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN CCCC[C@@](C#N)(CC)NCC 68988453 572013344 /nfs/dbraw/zinc/01/33/44/572013344.db2.gz PLITZFIHAQDDSV-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN CCC=CC(=O)Cc1cccc(O)c1 687698408 572013423 /nfs/dbraw/zinc/01/34/23/572013423.db2.gz PKGSVMFDBPZXSB-UTCJRWHESA-N 0 0 190.242 2.470 10 30 AEEERN C[C@H](C#N)C(=O)CC[C@H]1CCCCO1 68991822 572013525 /nfs/dbraw/zinc/01/35/25/572013525.db2.gz PMFLFSBMSITFCM-NXEZZACHSA-N 0 0 195.262 2.064 10 30 AEEERN CCC=CC(=O)Cc1cccc(O)c1 687698409 572013544 /nfs/dbraw/zinc/01/35/44/572013544.db2.gz PKGSVMFDBPZXSB-ZZXKWVIFSA-N 0 0 190.242 2.470 10 30 AEEERN C=CC[NH2+][C@](CC)(CCCC)C(=O)[O-] 68986332 572013581 /nfs/dbraw/zinc/01/35/81/572013581.db2.gz CSLAJIZQEVCOSJ-LLVKDONJSA-N 0 0 199.294 2.186 10 30 AEEERN CC(C)N[C@@H](C#N)c1cccc(C#N)c1 34973824 572013611 /nfs/dbraw/zinc/01/36/11/572013611.db2.gz RLWOHCUJMUIHME-LBPRGKRZSA-N 0 0 199.257 2.121 10 30 AEEERN C[C@@H](C#N)C(=O)CC[C@@H]1CCCCO1 68991808 572013693 /nfs/dbraw/zinc/01/36/93/572013693.db2.gz PMFLFSBMSITFCM-UWVGGRQHSA-N 0 0 195.262 2.064 10 30 AEEERN CCn1nc2ccc(C#N)cc2c1C 219650986 572013702 /nfs/dbraw/zinc/01/37/02/572013702.db2.gz VDOIENMJKMVWRS-UHFFFAOYSA-N 0 0 185.230 2.236 10 30 AEEERN CC(C)=CC(=O)Cc1ccc(O)cc1 687698521 572013912 /nfs/dbraw/zinc/01/39/12/572013912.db2.gz IHYKWLVAJFLFCT-UHFFFAOYSA-N 0 0 190.242 2.470 10 30 AEEERN CC(C)n1cc2cccc(C#N)c2n1 219651283 572013933 /nfs/dbraw/zinc/01/39/33/572013933.db2.gz AMVSEXJHBGIYKJ-UHFFFAOYSA-N 0 0 185.230 2.489 10 30 AEEERN CCn1nc2cc(C#N)ccc2c1C 219651175 572013972 /nfs/dbraw/zinc/01/39/72/572013972.db2.gz MVQXAKSSMLNFGN-UHFFFAOYSA-N 0 0 185.230 2.236 10 30 AEEERN CC/C=C\C(=O)CCOC(C)C 687698868 572014646 /nfs/dbraw/zinc/01/46/46/572014646.db2.gz BEUXJRMHSNZKGV-WAYWQWQTSA-N 0 0 170.252 2.337 10 30 AEEERN Cc1cnc(S[C@H](C)CC#N)nc1 42404543 572014055 /nfs/dbraw/zinc/01/40/55/572014055.db2.gz VIRWIRHJQIFWDP-MRVPVSSYSA-N 0 0 193.275 2.179 10 30 AEEERN C[NH2+]C(C)(C)C(=O)C1=CCCCC1 234369574 572014062 /nfs/dbraw/zinc/01/40/62/572014062.db2.gz BJNRBKAECLQLHK-UHFFFAOYSA-N 0 0 181.279 2.054 10 30 AEEERN C#CCNc1ccc(-c2c[nH]cn2)cc1 68990282 572014108 /nfs/dbraw/zinc/01/41/08/572014108.db2.gz KHBILLHCABIOSJ-UHFFFAOYSA-N 0 0 197.241 2.122 10 30 AEEERN CCC=CC(=O)Cc1ccc(O)cc1 687698511 572014254 /nfs/dbraw/zinc/01/42/54/572014254.db2.gz HBEKBQYLIDJWPR-ONEGZZNKSA-N 0 0 190.242 2.470 10 30 AEEERN C=C(C)C[C@H](NN)[C@H]1CCC[C@H]1C 300231543 572014320 /nfs/dbraw/zinc/01/43/20/572014320.db2.gz DDKGQGBJWQKLCA-VWYCJHECSA-N 0 0 182.311 2.221 10 30 AEEERN C[NH2+]C(C)(C)C(=O)C1=CCCCCC1 234369587 572014330 /nfs/dbraw/zinc/01/43/30/572014330.db2.gz XDBLRGJELAWKRY-UHFFFAOYSA-N 0 0 195.306 2.444 10 30 AEEERN CCCC[C@@](C#N)(CC)NC 68988448 572014380 /nfs/dbraw/zinc/01/43/80/572014380.db2.gz KOVGBNHSHCKRQH-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN CCCC[C@](C#N)(CC)N(C)C 68989183 572014390 /nfs/dbraw/zinc/01/43/90/572014390.db2.gz RYMJKNLEMPSIHQ-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN C[C@@H]1CCC(=NN[C@H](C)C(F)F)C1 393455721 572014709 /nfs/dbraw/zinc/01/47/09/572014709.db2.gz HAKOLBCVWSKUON-RNFRBKRXSA-N 0 0 190.237 2.406 10 30 AEEERN Cn1nc2ccccc2c1CCC#N 219650214 572014955 /nfs/dbraw/zinc/01/49/55/572014955.db2.gz UFVLBLNSFAQAAQ-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN COc1ccc([C@H]2O[C@@H]2C)cc1OC 14680006 572014852 /nfs/dbraw/zinc/01/48/52/572014852.db2.gz UCJMTGYVYMNVLZ-HQJQHLMTSA-N 0 0 194.230 2.164 10 30 AEEERN C=CCCC(=O)[C@@H](OC)C(C)C 131939721 572014890 /nfs/dbraw/zinc/01/48/90/572014890.db2.gz FQUCWGOHHMWJHH-JTQLQIEISA-N 0 0 170.252 2.193 10 30 AEEERN C=CCC[C@H](NN)[C@@H]1CCC[C@H]1C 300235833 572014894 /nfs/dbraw/zinc/01/48/94/572014894.db2.gz RUHQIKVHLSEBNP-MXWKQRLJSA-N 0 0 182.311 2.221 10 30 AEEERN CCn1nc2c(C)cccc2c1C#N 219650118 572014904 /nfs/dbraw/zinc/01/49/04/572014904.db2.gz WPJXZNYZERBRNI-UHFFFAOYSA-N 0 0 185.230 2.236 10 30 AEEERN C[C@H]1CCC(=NN[C@@H](C)C(F)F)C1 393455718 572015474 /nfs/dbraw/zinc/01/54/74/572015474.db2.gz HAKOLBCVWSKUON-BQBZGAKWSA-N 0 0 190.237 2.406 10 30 AEEERN C#CCCC[C@H](NN)[C@H]1CCC[C@H]1C 300235599 572015476 /nfs/dbraw/zinc/01/54/76/572015476.db2.gz RBGSNSIUHPFZRG-WOPDTQHZSA-N 0 0 194.322 2.058 10 30 AEEERN Cc1cccc2n[nH]c(CCC#N)c12 219650315 572015593 /nfs/dbraw/zinc/01/55/93/572015593.db2.gz CZDPNMMJUQWNSW-UHFFFAOYSA-N 0 0 185.230 2.328 10 30 AEEERN COc1ccc([C@@H]2O[C@@H]2C)cc1OC 14680004 572016070 /nfs/dbraw/zinc/01/60/70/572016070.db2.gz UCJMTGYVYMNVLZ-RDDDGLTNSA-N 0 0 194.230 2.164 10 30 AEEERN CC/C=C/C(=O)CCOC(C)C 687698867 572015679 /nfs/dbraw/zinc/01/56/79/572015679.db2.gz BEUXJRMHSNZKGV-AATRIKPKSA-N 0 0 170.252 2.337 10 30 AEEERN COC(CCCC(C)(C)C#N)OC 218172014 572015722 /nfs/dbraw/zinc/01/57/22/572015722.db2.gz BMOYOKBSXDNECO-UHFFFAOYSA-N 0 0 185.267 2.325 10 30 AEEERN C=CCC[C@H](NN)[C@H]1CCC[C@H]1C 300235835 572016381 /nfs/dbraw/zinc/01/63/81/572016381.db2.gz RUHQIKVHLSEBNP-VWYCJHECSA-N 0 0 182.311 2.221 10 30 AEEERN CC(C)OCCC(=O)C1=CCCC1 687698883 572015882 /nfs/dbraw/zinc/01/58/82/572015882.db2.gz QSYULAOWWGXTJR-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN CC#CCC[C@H](NN)[C@@H]1CCC[C@H]1C 300233142 572015975 /nfs/dbraw/zinc/01/59/75/572015975.db2.gz JSLNOIYKWHJKIL-UTUOFQBUSA-N 0 0 194.322 2.058 10 30 AEEERN O=CCCC(=O)/C=C\c1ccccc1 82056630 572016729 /nfs/dbraw/zinc/01/67/29/572016729.db2.gz MHPBSVOXFXUYJR-HJWRWDBZSA-N 0 0 188.226 2.248 10 30 AEEERN CCc1cc(C[C@H](C)C=O)ccc1O 238324844 572016864 /nfs/dbraw/zinc/01/68/64/572016864.db2.gz FTXMPLPHDBCUCZ-VIFPVBQESA-N 0 0 192.258 2.332 10 30 AEEERN C#CCCC[C@H](NN)[C@@H]1CCC[C@H]1C 300235598 572016992 /nfs/dbraw/zinc/01/69/92/572016992.db2.gz RBGSNSIUHPFZRG-UTUOFQBUSA-N 0 0 194.322 2.058 10 30 AEEERN C[C@H](C#N)CN[C@H](C)c1ccco1 35206983 572017010 /nfs/dbraw/zinc/01/70/10/572017010.db2.gz HIRHJLYFDFINQF-RKDXNWHRSA-N 0 0 178.235 2.090 10 30 AEEERN C=CCN(CCC)C(=O)C=C(C)C 300883785 572017101 /nfs/dbraw/zinc/01/71/01/572017101.db2.gz ZWITUNRBPLIFHM-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN Cc1cc(C)c(C#N)c(OC2CC2)n1 713198438 572017538 /nfs/dbraw/zinc/01/75/38/572017538.db2.gz DHVPMSGSIFHZTO-UHFFFAOYSA-N 0 0 188.230 2.111 10 30 AEEERN CC/C=C\C(=O)C[C@@H]1CCCO1 687698663 572018088 /nfs/dbraw/zinc/01/80/88/572018088.db2.gz MZBLPXIGNDXZMU-ATPLWMGHSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1cccc(OCCCC#N)c1N 35283604 572017742 /nfs/dbraw/zinc/01/77/42/572017742.db2.gz ROYLXZVXMQEUBN-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN CC[C@@H](C)[C@H](C=O)CC 33506649 572017642 /nfs/dbraw/zinc/01/76/42/572017642.db2.gz FBQWJRWQCDONFI-SFYZADRCSA-N 0 0 128.215 2.258 10 30 AEEERN CC[C@H](C)[C@@H](C=O)CC 33506652 572017688 /nfs/dbraw/zinc/01/76/88/572017688.db2.gz FBQWJRWQCDONFI-JGVFFNPUSA-N 0 0 128.215 2.258 10 30 AEEERN C[C@H](C#N)C[NH2+]C[C@@H]1CC[C@H](C)C1 300239591 572017852 /nfs/dbraw/zinc/01/78/52/572017852.db2.gz ARBYAEYWLDUSPN-HBNTYKKESA-N 0 0 180.295 2.172 10 30 AEEERN CC/C=C\C(=O)C[C@H]1CCCO1 687698666 572018197 /nfs/dbraw/zinc/01/81/97/572018197.db2.gz MZBLPXIGNDXZMU-TZGMSPROSA-N 0 0 168.236 2.091 10 30 AEEERN CC=C(CC)C(=O)C(F)F 687698984 572018217 /nfs/dbraw/zinc/01/82/17/572018217.db2.gz BTGPDACZRKCZOH-HYXAFXHYSA-N 0 0 148.152 2.177 10 30 AEEERN CC[C@H](C=O)[C@H](C)CC 33506651 572018285 /nfs/dbraw/zinc/01/82/85/572018285.db2.gz FBQWJRWQCDONFI-HTQZYQBOSA-N 0 0 128.215 2.258 10 30 AEEERN CC/C=C/C(=O)C[C@@H]1CCCO1 687698664 572018314 /nfs/dbraw/zinc/01/83/14/572018314.db2.gz MZBLPXIGNDXZMU-GFAPAMAISA-N 0 0 168.236 2.091 10 30 AEEERN CC[C@H](C)[C@H](C=O)CC 33506650 572018691 /nfs/dbraw/zinc/01/86/91/572018691.db2.gz FBQWJRWQCDONFI-YUMQZZPRSA-N 0 0 128.215 2.258 10 30 AEEERN CC=C(CC)C(=O)C(F)F 687698983 572018992 /nfs/dbraw/zinc/01/89/92/572018992.db2.gz BTGPDACZRKCZOH-HWKANZROSA-N 0 0 148.152 2.177 10 30 AEEERN CSCO[C@@H](C(C)C)[C@H](C)C=O 238369092 572019589 /nfs/dbraw/zinc/01/95/89/572019589.db2.gz APZGFXKDQLNWEP-BDAKNGLRSA-N 0 0 190.308 2.183 10 30 AEEERN CC[C@H](C#N)N(C)C(C)(C)CC 68997964 572020239 /nfs/dbraw/zinc/02/02/39/572020239.db2.gz ICQPFTDKELEMOB-SECBINFHSA-N 0 0 168.284 2.409 10 30 AEEERN COCCS[C@H]1CCCC[C@H]1C#N 35321912 572020203 /nfs/dbraw/zinc/02/02/03/572020203.db2.gz DHXVHEVQKBCCJH-UWVGGRQHSA-N 0 0 199.319 2.448 10 30 AEEERN COCCS[C@H]1CCCC[C@@H]1C#N 35321910 572020213 /nfs/dbraw/zinc/02/02/13/572020213.db2.gz DHXVHEVQKBCCJH-ZJUUUORDSA-N 0 0 199.319 2.448 10 30 AEEERN CCn1nc(C)c(C[C@H](C)C#N)c1C 26546988 572020336 /nfs/dbraw/zinc/02/03/36/572020336.db2.gz BHEPATBOVATXRM-QMMMGPOBSA-N 0 0 191.278 2.222 10 30 AEEERN COCCS[C@@H]1CCC[C@H]1C#N 35321939 572020387 /nfs/dbraw/zinc/02/03/87/572020387.db2.gz XAXCTIIOJJTPIO-DTWKUNHWSA-N 0 0 185.292 2.058 10 30 AEEERN Cc1cc(C)c(/C=N/O)cc1C 14822221 572020572 /nfs/dbraw/zinc/02/05/72/572020572.db2.gz VKVOHEWMMQBPMJ-IZZDOVSWSA-N 0 0 163.220 2.420 10 30 AEEERN CC(C)CNN=C1C[C@H](C)[C@@H]1C 393464196 572020609 /nfs/dbraw/zinc/02/06/09/572020609.db2.gz BBPHQXBOLXMJNY-IUCAKERBSA-N 0 0 168.284 2.264 10 30 AEEERN C#Cc1cccc(NCCOCC)c1 35358933 572020613 /nfs/dbraw/zinc/02/06/13/572020613.db2.gz HRARBLDRVNVUKD-UHFFFAOYSA-N 0 0 189.258 2.116 10 30 AEEERN CC[C@H](C#N)NC[C@@H]1CCC[C@H]1C 300240992 572021372 /nfs/dbraw/zinc/02/13/72/572021372.db2.gz HIACWYDUVCHUPE-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN C=C1C[C@H](C=O)Cc2ccccc21 207113953 572020869 /nfs/dbraw/zinc/02/08/69/572020869.db2.gz IRMHYWDCFSADKG-JTQLQIEISA-N 0 0 172.227 2.461 10 30 AEEERN CC(C)CN=NC1C[C@@H](C)[C@H]1C 393464199 572021064 /nfs/dbraw/zinc/02/10/64/572021064.db2.gz BBPHQXBOLXMJNY-RKDXNWHRSA-N 0 0 168.284 2.264 10 30 AEEERN C#C[C@H](C)C(=O)[C@H](C)C(C)C 207113649 572021558 /nfs/dbraw/zinc/02/15/58/572021558.db2.gz LVSDTRWTCCVLLT-DTWKUNHWSA-N 0 0 152.237 2.117 10 30 AEEERN CCn1nc(C)c(C[C@@H](C)C#N)c1C 26546985 572021653 /nfs/dbraw/zinc/02/16/53/572021653.db2.gz BHEPATBOVATXRM-MRVPVSSYSA-N 0 0 191.278 2.222 10 30 AEEERN COCCS[C@H]1CCC[C@@H]1C#N 35321938 572021796 /nfs/dbraw/zinc/02/17/96/572021796.db2.gz XAXCTIIOJJTPIO-BDAKNGLRSA-N 0 0 185.292 2.058 10 30 AEEERN CC[C@@H](CC#N)SCCOC 35321952 572021802 /nfs/dbraw/zinc/02/18/02/572021802.db2.gz OECXTDDWFQBUQI-QMMMGPOBSA-N 0 0 173.281 2.058 10 30 AEEERN Cc1csc(N(C)C[C@@H](C)C#N)n1 42461292 572021807 /nfs/dbraw/zinc/02/18/07/572021807.db2.gz NFTQVRZCZHDFAC-ZETCQYMHSA-N 0 0 195.291 2.047 10 30 AEEERN COCCS[C@@H]1CCC[C@@H]1C#N 35321937 572021894 /nfs/dbraw/zinc/02/18/94/572021894.db2.gz XAXCTIIOJJTPIO-RKDXNWHRSA-N 0 0 185.292 2.058 10 30 AEEERN CC(C)CNN=C1C[C@@H](C)[C@@H]1C 393464192 572021908 /nfs/dbraw/zinc/02/19/08/572021908.db2.gz BBPHQXBOLXMJNY-BDAKNGLRSA-N 0 0 168.284 2.264 10 30 AEEERN CC(C)CNN=C1C[C@H](C)[C@H]1C 393464195 572022094 /nfs/dbraw/zinc/02/20/94/572022094.db2.gz BBPHQXBOLXMJNY-DTWKUNHWSA-N 0 0 168.284 2.264 10 30 AEEERN COCCS[C@H]1CCC[C@H]1C#N 35321940 572022245 /nfs/dbraw/zinc/02/22/45/572022245.db2.gz XAXCTIIOJJTPIO-IUCAKERBSA-N 0 0 185.292 2.058 10 30 AEEERN COCCS[C@@H]1CCCC[C@@H]1C#N 35321909 572022538 /nfs/dbraw/zinc/02/25/38/572022538.db2.gz DHXVHEVQKBCCJH-NXEZZACHSA-N 0 0 199.319 2.448 10 30 AEEERN C=CCn1c(CC(C)C)n[nH]c1=S 75321725 572022591 /nfs/dbraw/zinc/02/25/91/572022591.db2.gz GEMAIXTXLWTAJU-UHFFFAOYSA-N 0 0 197.307 2.325 10 30 AEEERN C1CCN(N=C2CC[C@H]3C[C@@H]23)CC1 393464305 572022592 /nfs/dbraw/zinc/02/25/92/572022592.db2.gz BTHPRQGHWPTAIG-VHSXEESVSA-N 0 0 178.279 2.258 10 30 AEEERN CC[C@H](C#N)NC[C@H]1CCC[C@H]1C 300240991 572022882 /nfs/dbraw/zinc/02/28/82/572022882.db2.gz HIACWYDUVCHUPE-GMTAPVOTSA-N 0 0 180.295 2.314 10 30 AEEERN C=C1C[C@@H](C=O)Cc2ccccc21 207113995 572022964 /nfs/dbraw/zinc/02/29/64/572022964.db2.gz IRMHYWDCFSADKG-SNVBAGLBSA-N 0 0 172.227 2.461 10 30 AEEERN C#C[C@H](Nc1ccc(C#N)nc1)C(C)C 300888919 572023120 /nfs/dbraw/zinc/02/31/20/572023120.db2.gz JQTZULXAKHJUGJ-LBPRGKRZSA-N 0 0 199.257 2.023 10 30 AEEERN C#C[C@@H](Nc1ccc(C#N)nc1)C(C)C 300888914 572023622 /nfs/dbraw/zinc/02/36/22/572023622.db2.gz JQTZULXAKHJUGJ-GFCCVEGCSA-N 0 0 199.257 2.023 10 30 AEEERN CC[C@H](C#N)NC[C@H]1CC[C@H](C)C1 300243730 572023972 /nfs/dbraw/zinc/02/39/72/572023972.db2.gz UKIKSTRKGAGJIL-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCC(=O)[C@H](C)CCC(C)=O 238408077 572023995 /nfs/dbraw/zinc/02/39/95/572023995.db2.gz ZWZUXHLOPLYRJM-MRVPVSSYSA-N 0 0 168.236 2.137 10 30 AEEERN CC[C@H](C#N)NC[C@@H]1CC[C@H](C)C1 300243731 572024074 /nfs/dbraw/zinc/02/40/74/572024074.db2.gz UKIKSTRKGAGJIL-HBNTYKKESA-N 0 0 180.295 2.314 10 30 AEEERN CCn1nc2cc(F)ccc2c1C#N 219690381 572024887 /nfs/dbraw/zinc/02/48/87/572024887.db2.gz FSJMKZJBNSRXNK-UHFFFAOYSA-N 0 0 189.193 2.067 10 30 AEEERN CC1=C(C)C(=O)[C@H](C)CC1 33604915 572024889 /nfs/dbraw/zinc/02/48/89/572024889.db2.gz UOQNEDMSOAECRG-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN CCn1nc2c(F)cccc2c1C#N 219690587 572024901 /nfs/dbraw/zinc/02/49/01/572024901.db2.gz URYVKHRRSJQEMV-UHFFFAOYSA-N 0 0 189.193 2.067 10 30 AEEERN CCn1nc2cccc(F)c2c1C#N 219689997 572025012 /nfs/dbraw/zinc/02/50/12/572025012.db2.gz IQHDSNROIMENQW-UHFFFAOYSA-N 0 0 189.193 2.067 10 30 AEEERN C=C(C)CON[C@@H]1C[C@@H](C)[C@H]1C 400831112 572025045 /nfs/dbraw/zinc/02/50/45/572025045.db2.gz DTQHUNHGIRZNBE-OPRDCNLKSA-N 0 0 169.268 2.128 10 30 AEEERN C#C[C@H](NC(=O)OCC(C)C)C(C)C 300892711 572025137 /nfs/dbraw/zinc/02/51/37/572025137.db2.gz KBKRLEYBQBZGTR-JTQLQIEISA-N 0 0 197.278 2.026 10 30 AEEERN CCCC(=O)[C@H](S)CC 33605203 572025199 /nfs/dbraw/zinc/02/51/99/572025199.db2.gz FUMNWNPDMTVHCC-SSDOTTSWSA-N 0 0 146.255 2.064 10 30 AEEERN C#C[C@@H](NC(=O)OCC(C)C)C(C)C 300892712 572025640 /nfs/dbraw/zinc/02/56/40/572025640.db2.gz KBKRLEYBQBZGTR-SNVBAGLBSA-N 0 0 197.278 2.026 10 30 AEEERN CC(C)[C@H]1CCC1=NNCC(F)F 393469511 572025727 /nfs/dbraw/zinc/02/57/27/572025727.db2.gz MWSNMVKAXPTKEY-SSDOTTSWSA-N 0 0 190.237 2.263 10 30 AEEERN CCON=C(C)[C@H]1CC1(C)C 393467951 572026127 /nfs/dbraw/zinc/02/61/27/572026127.db2.gz DRJNOKHXHWWSMX-MRVPVSSYSA-N 0 0 155.241 2.445 10 30 AEEERN CCON=C(C)[C@@H]1CC1(C)C 393467953 572025814 /nfs/dbraw/zinc/02/58/14/572025814.db2.gz DRJNOKHXHWWSMX-QMMMGPOBSA-N 0 0 155.241 2.445 10 30 AEEERN C=C(C)CON[C@@H]1C[C@H](C)[C@@H]1C 400831110 572026085 /nfs/dbraw/zinc/02/60/85/572026085.db2.gz DTQHUNHGIRZNBE-LPEHRKFASA-N 0 0 169.268 2.128 10 30 AEEERN C=C(C)CON[C@@H]1C[C@H](C)[C@H]1C 400831107 572025956 /nfs/dbraw/zinc/02/59/56/572025956.db2.gz DTQHUNHGIRZNBE-IVZWLZJFSA-N 0 0 169.268 2.128 10 30 AEEERN CC(C)[C@@H]1CCC1=NNCC(F)F 393469519 572026017 /nfs/dbraw/zinc/02/60/17/572026017.db2.gz MWSNMVKAXPTKEY-ZETCQYMHSA-N 0 0 190.237 2.263 10 30 AEEERN CC[C@H](O)c1ccccc1OCC#N 35625925 572026459 /nfs/dbraw/zinc/02/64/59/572026459.db2.gz LFPBIOYNGMHNNA-JTQLQIEISA-N 0 0 191.230 2.032 10 30 AEEERN C#CCN(CC)C(=O)[C@@H](C)CCCC 300893924 572027081 /nfs/dbraw/zinc/02/70/81/572027081.db2.gz IAFTVVANMNYENY-NSHDSACASA-N 0 0 195.306 2.294 10 30 AEEERN C#Cc1c(C)nc2sc(C)c(C)n12 687700268 572027486 /nfs/dbraw/zinc/02/74/86/572027486.db2.gz GHDSYJDWSJVNEL-UHFFFAOYSA-N 0 0 190.271 2.302 10 30 AEEERN CC[C@@H](CC#N)Sc1cnccn1 82433256 572027742 /nfs/dbraw/zinc/02/77/42/572027742.db2.gz CTRMLBFGJXKJQS-QMMMGPOBSA-N 0 0 193.275 2.261 10 30 AEEERN CC[C@H](CC#N)Sc1cnccn1 82433257 572028270 /nfs/dbraw/zinc/02/82/70/572028270.db2.gz CTRMLBFGJXKJQS-MRVPVSSYSA-N 0 0 193.275 2.261 10 30 AEEERN C#CCCOc1ccc(C)cc1C=O 82426883 572028233 /nfs/dbraw/zinc/02/82/33/572028233.db2.gz YWYPXOKXUKRHCA-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN C#CC[C@@H](O)c1cccc2cccnc12 69050926 572028241 /nfs/dbraw/zinc/02/82/41/572028241.db2.gz XDGNGQFKDHISKO-GFCCVEGCSA-N 0 0 197.237 2.292 10 30 AEEERN CN[C@@H](C#N)c1ccc2ncccc2c1 69050897 572028412 /nfs/dbraw/zinc/02/84/12/572028412.db2.gz WOLUEESWBLQYBL-LBPRGKRZSA-N 0 0 197.241 2.019 10 30 AEEERN CN[C@H](C#N)c1ccc2ncccc2c1 69050898 572028502 /nfs/dbraw/zinc/02/85/02/572028502.db2.gz WOLUEESWBLQYBL-GFCCVEGCSA-N 0 0 197.241 2.019 10 30 AEEERN Cc1ccc(N)cc1OCCCC#N 35678235 572029033 /nfs/dbraw/zinc/02/90/33/572029033.db2.gz BSRAYQHOHQVQLZ-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN C#CCCN(CC(F)(F)F)C(C)C 82493968 572029947 /nfs/dbraw/zinc/02/99/47/572029947.db2.gz NSDWSXRPBOTONW-UHFFFAOYSA-N 0 0 193.212 2.282 10 30 AEEERN C#CCCOc1ccccc1[C@@H](C)O 35627195 572030092 /nfs/dbraw/zinc/03/00/92/572030092.db2.gz MMVXQYLLOZHFTR-SNVBAGLBSA-N 0 0 190.242 2.142 10 30 AEEERN C#CCCN(C)c1cccc(OC)c1 82493992 572030116 /nfs/dbraw/zinc/03/01/16/572030116.db2.gz CXMRQUAASWCRLQ-UHFFFAOYSA-N 0 0 189.258 2.155 10 30 AEEERN C#CCCOc1cccc([C@@H](C)O)c1 35627906 572030504 /nfs/dbraw/zinc/03/05/04/572030504.db2.gz ZJLDOOQNVVGCIK-SNVBAGLBSA-N 0 0 190.242 2.142 10 30 AEEERN CC[C@H](O)c1ccc(OCC#N)cc1 35628311 572030521 /nfs/dbraw/zinc/03/05/21/572030521.db2.gz CJIXIUKYIBDRCG-NSHDSACASA-N 0 0 191.230 2.032 10 30 AEEERN C#CCCOc1ccccc1[C@H](C)O 35627194 572030567 /nfs/dbraw/zinc/03/05/67/572030567.db2.gz MMVXQYLLOZHFTR-JTQLQIEISA-N 0 0 190.242 2.142 10 30 AEEERN CCCCCCC[S@@](=O)COC 526872125 572030751 /nfs/dbraw/zinc/03/07/51/572030751.db2.gz FZTAYEYVAXWOJL-GFCCVEGCSA-N 0 0 192.324 2.309 10 30 AEEERN CSCCC[C@]1(C#N)CCCOC1 235030341 572030812 /nfs/dbraw/zinc/03/08/12/572030812.db2.gz GGUIZGCFKJTLGC-JTQLQIEISA-N 0 0 199.319 2.450 10 30 AEEERN C#CCOc1ccccc1[C@@H](O)CC 35626049 572031039 /nfs/dbraw/zinc/03/10/39/572031039.db2.gz WZMOUDWCHMBOSH-NSHDSACASA-N 0 0 190.242 2.142 10 30 AEEERN CCCCCCNC(=O)[C@H](C)S 232944515 572031168 /nfs/dbraw/zinc/03/11/68/572031168.db2.gz HMVGWKIAMMMKCC-QMMMGPOBSA-N 0 0 189.324 2.001 10 30 AEEERN C#CCC[C@@H](O)Cc1ccccc1 82497423 572031171 /nfs/dbraw/zinc/03/11/71/572031171.db2.gz WXOXKWACZICCBL-GFCCVEGCSA-N 0 0 174.243 2.003 10 30 AEEERN C#CCC[C@H](O)Cc1cccc(C)c1 82497499 572031257 /nfs/dbraw/zinc/03/12/57/572031257.db2.gz CAXMXEBPIQMSHW-ZDUSSCGKSA-N 0 0 188.270 2.312 10 30 AEEERN C#CCCC(=O)COc1ccccc1 82497375 572031311 /nfs/dbraw/zinc/03/13/11/572031311.db2.gz LVYZEQJWSLWURP-UHFFFAOYSA-N 0 0 188.226 2.048 10 30 AEEERN CSC1CCC([NH2+]CCC#N)CC1 235021995 572031367 /nfs/dbraw/zinc/03/13/67/572031367.db2.gz DRLFLYPFGIPKDF-UHFFFAOYSA-N 0 0 198.335 2.164 10 30 AEEERN C#CCC[C@@H](O)Cc1cccc(F)c1 82497471 572032394 /nfs/dbraw/zinc/03/23/94/572032394.db2.gz QLTVRQGXUDPTQE-GFCCVEGCSA-N 0 0 192.233 2.143 10 30 AEEERN C#CCC[C@H](O)Cc1ccccc1C 82497495 572031661 /nfs/dbraw/zinc/03/16/61/572031661.db2.gz KGKACKVQTKRTOS-ZDUSSCGKSA-N 0 0 188.270 2.312 10 30 AEEERN CCCCCCC[S@](=O)COC 526872126 572031687 /nfs/dbraw/zinc/03/16/87/572031687.db2.gz FZTAYEYVAXWOJL-LBPRGKRZSA-N 0 0 192.324 2.309 10 30 AEEERN CC[C@@H](O)c1ccc(OCC#N)cc1 35628312 572031741 /nfs/dbraw/zinc/03/17/41/572031741.db2.gz CJIXIUKYIBDRCG-LLVKDONJSA-N 0 0 191.230 2.032 10 30 AEEERN C#CCCNc1cccc(COC)c1 82496992 572031746 /nfs/dbraw/zinc/03/17/46/572031746.db2.gz PEENEUHEZLPEJK-UHFFFAOYSA-N 0 0 189.258 2.268 10 30 AEEERN C#CCC[C@H](O)Cc1cccs1 82497522 572032398 /nfs/dbraw/zinc/03/23/98/572032398.db2.gz FABCUKUWBSXZKJ-VIFPVBQESA-N 0 0 180.272 2.065 10 30 AEEERN C#CCCOc1cccc([C@H](C)O)c1 35627905 572031797 /nfs/dbraw/zinc/03/17/97/572031797.db2.gz ZJLDOOQNVVGCIK-JTQLQIEISA-N 0 0 190.242 2.142 10 30 AEEERN C#CCCC(=O)c1ccccc1OC 82497312 572031848 /nfs/dbraw/zinc/03/18/48/572031848.db2.gz VVGKKGRQMWVSRZ-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C#CCCC(=O)Cc1ccc(F)cc1 82497330 572031903 /nfs/dbraw/zinc/03/19/03/572031903.db2.gz SAHLLUYTZLIVIA-UHFFFAOYSA-N 0 0 190.217 2.351 10 30 AEEERN C#CCCC(=O)c1ccc(OC)cc1 82497311 572031911 /nfs/dbraw/zinc/03/19/11/572031911.db2.gz WEEVPIOPQDAJLC-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN CCCCCCC[S@@](=O)CC#N 526868706 572032086 /nfs/dbraw/zinc/03/20/86/572032086.db2.gz VNWULPMUXUSGJY-GFCCVEGCSA-N 0 0 187.308 2.229 10 30 AEEERN C#CCC[C@@H](O)Cc1cccs1 82497523 572032221 /nfs/dbraw/zinc/03/22/21/572032221.db2.gz FABCUKUWBSXZKJ-SECBINFHSA-N 0 0 180.272 2.065 10 30 AEEERN C#CCC[C@H](O)c1ccc(OC)cc1 82497391 572032265 /nfs/dbraw/zinc/03/22/65/572032265.db2.gz PZPYIWNBCDIZRU-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN C#CCC[C@H](O)Cc1cccc(F)c1 82497470 572032289 /nfs/dbraw/zinc/03/22/89/572032289.db2.gz QLTVRQGXUDPTQE-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN CCCCCCC[S@](=O)CC#N 526868707 572032318 /nfs/dbraw/zinc/03/23/18/572032318.db2.gz VNWULPMUXUSGJY-LBPRGKRZSA-N 0 0 187.308 2.229 10 30 AEEERN C=CC[S@](=O)Cc1ccc(F)cc1 526853214 572032339 /nfs/dbraw/zinc/03/23/39/572032339.db2.gz UBHJJMDGDGPGOL-ZDUSSCGKSA-N 0 0 198.262 2.260 10 30 AEEERN C#CCC[C@H](O)Cc1ccccc1F 82497486 572032401 /nfs/dbraw/zinc/03/24/01/572032401.db2.gz KQAAIJGAOOMIBJ-NSHDSACASA-N 0 0 192.233 2.143 10 30 AEEERN C#CCCC(=O)Cc1ccccc1F 82497351 572032580 /nfs/dbraw/zinc/03/25/80/572032580.db2.gz DPBGEYCYBYTBCC-UHFFFAOYSA-N 0 0 190.217 2.351 10 30 AEEERN C=CC[S@@](=O)Cc1ccc(F)cc1 526853213 572032631 /nfs/dbraw/zinc/03/26/31/572032631.db2.gz UBHJJMDGDGPGOL-CYBMUJFWSA-N 0 0 198.262 2.260 10 30 AEEERN C#CCC[C@H](O)Cc1ccc(C)cc1 82497519 572032635 /nfs/dbraw/zinc/03/26/35/572032635.db2.gz AHHVPJRGWCXHOK-ZDUSSCGKSA-N 0 0 188.270 2.312 10 30 AEEERN C#CCC[C@H](O)CCC(C)C 82497489 572032721 /nfs/dbraw/zinc/03/27/21/572032721.db2.gz AVLQEIQJSKOJEG-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C#CCC[C@@H](O)c1ccc(OC)cc1 82497390 572032773 /nfs/dbraw/zinc/03/27/73/572032773.db2.gz PZPYIWNBCDIZRU-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN C#CCC[C@@H](O)c1ccccc1OC 82497392 572032784 /nfs/dbraw/zinc/03/27/84/572032784.db2.gz OWOMAYYTBDKJAR-LLVKDONJSA-N 0 0 190.242 2.142 10 30 AEEERN C=CC[S@](=O)Cc1ccccc1C 526855530 572032899 /nfs/dbraw/zinc/03/28/99/572032899.db2.gz DUVMXVFVWYCDFY-ZDUSSCGKSA-N 0 0 194.299 2.430 10 30 AEEERN C#CCC[C@@H](O)Cc1ccccc1F 82497487 572032939 /nfs/dbraw/zinc/03/29/39/572032939.db2.gz KQAAIJGAOOMIBJ-LLVKDONJSA-N 0 0 192.233 2.143 10 30 AEEERN C#CCC[C@H](O)Cc1ccccc1 82497422 572032976 /nfs/dbraw/zinc/03/29/76/572032976.db2.gz WXOXKWACZICCBL-LBPRGKRZSA-N 0 0 174.243 2.003 10 30 AEEERN C#CCC[C@@H](O)c1cccc(OC)c1 82497396 572033036 /nfs/dbraw/zinc/03/30/36/572033036.db2.gz LVRHWEGXLQOCER-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN C#CCC[C@H](O)c1ccccc1OC 82497393 572033063 /nfs/dbraw/zinc/03/30/63/572033063.db2.gz OWOMAYYTBDKJAR-NSHDSACASA-N 0 0 190.242 2.142 10 30 AEEERN C#CCC[C@@H](O)Cc1cccc(C)c1 82497498 572033074 /nfs/dbraw/zinc/03/30/74/572033074.db2.gz CAXMXEBPIQMSHW-CYBMUJFWSA-N 0 0 188.270 2.312 10 30 AEEERN C=CC[S@](=O)Cc1ccccc1F 526855923 572033252 /nfs/dbraw/zinc/03/32/52/572033252.db2.gz MBOIMZXRBKCQEM-ZDUSSCGKSA-N 0 0 198.262 2.260 10 30 AEEERN C#CCCC(=O)Cc1ccccc1 82497320 572033254 /nfs/dbraw/zinc/03/32/54/572033254.db2.gz ARUBKAGARJCZDV-UHFFFAOYSA-N 0 0 172.227 2.212 10 30 AEEERN C#CCC[C@@H](O)CCC(C)C 82497488 572033292 /nfs/dbraw/zinc/03/32/92/572033292.db2.gz AVLQEIQJSKOJEG-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN C#CCCC(=O)Cc1cccc(F)c1 82497343 572033367 /nfs/dbraw/zinc/03/33/67/572033367.db2.gz QDUYJJMBCCCSCM-UHFFFAOYSA-N 0 0 190.217 2.351 10 30 AEEERN CC[C@@H](CC#N)N(C)Cc1ccco1 35701950 572033917 /nfs/dbraw/zinc/03/39/17/572033917.db2.gz GXSMRPKEPJMYHC-JTQLQIEISA-N 0 0 192.262 2.404 10 30 AEEERN C=CC[S@@](=O)Cc1ccccc1C 526855529 572034949 /nfs/dbraw/zinc/03/49/49/572034949.db2.gz DUVMXVFVWYCDFY-CYBMUJFWSA-N 0 0 194.299 2.430 10 30 AEEERN C=C(C)C[S@](=O)C1CCCC1 526883732 572034018 /nfs/dbraw/zinc/03/40/18/572034018.db2.gz CRRJKMSLYJMOSY-NSHDSACASA-N 0 0 172.293 2.254 10 30 AEEERN CC1(C)CC(=O)N1CCCCCC#N 687776895 572034388 /nfs/dbraw/zinc/03/43/88/572034388.db2.gz WNULCHHOWGQXKS-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN C=C(C)C[S@](=O)CCC(C)C 526886127 572034803 /nfs/dbraw/zinc/03/48/03/572034803.db2.gz YABTUJFXNSQRJC-LLVKDONJSA-N 0 0 174.309 2.357 10 30 AEEERN C=C(C)C[S@@](=O)C1CCCC1 526883730 572034812 /nfs/dbraw/zinc/03/48/12/572034812.db2.gz CRRJKMSLYJMOSY-LLVKDONJSA-N 0 0 172.293 2.254 10 30 AEEERN CC[C@H](CC#N)N(C)Cc1ccco1 35701952 572035157 /nfs/dbraw/zinc/03/51/57/572035157.db2.gz GXSMRPKEPJMYHC-SNVBAGLBSA-N 0 0 192.262 2.404 10 30 AEEERN CSc1ccccc1OCCC=O 82504390 572035695 /nfs/dbraw/zinc/03/56/95/572035695.db2.gz SLDBXJTXMXERIX-UHFFFAOYSA-N 0 0 196.271 2.376 10 30 AEEERN C/C(=N/O)[C@@H]1Cc2ccccc21 33839058 572036198 /nfs/dbraw/zinc/03/61/98/572036198.db2.gz OEECJXXNEJIBMM-QBQSQJOESA-N 0 0 161.204 2.176 10 30 AEEERN Nc1cccc(C#Cc2ccncc2)c1 82505947 572036270 /nfs/dbraw/zinc/03/62/70/572036270.db2.gz XYVIVLIGIJNFMX-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN CC(C)=CCC[C@](C)(O)CC=O 33839859 572036302 /nfs/dbraw/zinc/03/63/02/572036302.db2.gz DUSOFANQAJQCRP-JTQLQIEISA-N 0 0 170.252 2.073 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1cc(C#N)ccn1 234136102 572036396 /nfs/dbraw/zinc/03/63/96/572036396.db2.gz LTCLTNPSPFJNNN-UWVGGRQHSA-N 0 0 187.246 2.164 10 30 AEEERN CC(=O)c1c(C)sc(C#N)c1C 219699411 572037666 /nfs/dbraw/zinc/03/76/66/572037666.db2.gz LPXABJHOAALHPL-UHFFFAOYSA-N 0 0 179.244 2.439 10 30 AEEERN CC/C(Cl)=C(/C)C(C)=O 33840275 572037732 /nfs/dbraw/zinc/03/77/32/572037732.db2.gz FMIKVNPHRJTYDC-FNORWQNLSA-N 0 0 146.617 2.498 10 30 AEEERN C=CCC(=C)C(=C)CC=O 33834564 572037828 /nfs/dbraw/zinc/03/78/28/572037828.db2.gz MKBHRDBMWYGXJZ-UHFFFAOYSA-N 0 0 136.194 2.264 10 30 AEEERN CC/C=C/C/C=C\CC#CCO 218219448 572037963 /nfs/dbraw/zinc/03/79/63/572037963.db2.gz BSIZBNFVUNTYKV-FDTUMDBZSA-N 0 0 164.248 2.285 10 30 AEEERN CCC/C=C/C=C/C(C)=O 33843136 572038683 /nfs/dbraw/zinc/03/86/83/572038683.db2.gz JETNPTUJXPNCAS-BSWSSELBSA-N 0 0 138.210 2.488 10 30 AEEERN COCc1ccc2nc(C#N)ccc2c1 300906230 572039053 /nfs/dbraw/zinc/03/90/53/572039053.db2.gz QYZZTVNYQUNSRD-UHFFFAOYSA-N 0 0 198.225 2.253 10 30 AEEERN C=CCCCC#CCCCO 38810002 572040103 /nfs/dbraw/zinc/04/01/03/572040103.db2.gz FXRYTQZNVZHXLR-UHFFFAOYSA-N 0 0 152.237 2.119 10 30 AEEERN CC/C=C\CCC#N 15272637 572040538 /nfs/dbraw/zinc/04/05/38/572040538.db2.gz SSSHLJHNVHOOQF-ARJAWSKDSA-N 0 0 109.172 2.256 10 30 AEEERN CC(=O)/C=C/OCc1ccccc1 33842778 572040723 /nfs/dbraw/zinc/04/07/23/572040723.db2.gz WAEFCXPJUAKIAH-BQYQJAHWSA-N 0 0 176.215 2.306 10 30 AEEERN C=C(C)CCC(=O)[C@H]1CCCCC[NH2+]1 229112931 572041198 /nfs/dbraw/zinc/04/11/98/572041198.db2.gz PCRIVVOYDNAXGJ-LLVKDONJSA-N 0 0 195.306 2.444 10 30 AEEERN CCCOCCOCCCCC#N 82528681 572041394 /nfs/dbraw/zinc/04/13/94/572041394.db2.gz YGIGEHKBJBONOJ-UHFFFAOYSA-N 0 0 185.267 2.123 10 30 AEEERN CC[C@@H](C#N)N(C)CC1CCCC1 82492382 572042594 /nfs/dbraw/zinc/04/25/94/572042594.db2.gz OORHSUFXYLMGLU-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CCOc1ccc([C@H](C)C=O)cc1 36156336 572042956 /nfs/dbraw/zinc/04/29/56/572042956.db2.gz BHQOHCPOJVBHEW-SECBINFHSA-N 0 0 178.231 2.388 10 30 AEEERN CC1=CC(=S(C)C)C(C)=CC1=O 334138475 572043178 /nfs/dbraw/zinc/04/31/78/572043178.db2.gz YTTQAGSPSHZGAJ-UHFFFAOYSA-N 0 0 182.288 2.163 10 30 AEEERN CCOc1ccc([C@@H](C)C=O)cc1 36156334 572043424 /nfs/dbraw/zinc/04/34/24/572043424.db2.gz BHQOHCPOJVBHEW-VIFPVBQESA-N 0 0 178.231 2.388 10 30 AEEERN CC(C)c1ccc(C=NC(N)=O)cc1 334138370 572043474 /nfs/dbraw/zinc/04/34/74/572043474.db2.gz XIVOBUCWTZRMPR-UHFFFAOYSA-N 0 0 190.246 2.308 10 30 AEEERN C=C(C)CONC(CC)CC 400871591 572043526 /nfs/dbraw/zinc/04/35/26/572043526.db2.gz XJUAUVLEMVQFNI-UHFFFAOYSA-N 0 0 157.257 2.272 10 30 AEEERN O=CCc1ccc2ccoc2c1 33946015 572044195 /nfs/dbraw/zinc/04/41/95/572044195.db2.gz LQBONOROJWJFLR-UHFFFAOYSA-N 0 0 160.172 2.174 10 30 AEEERN CSCCC[C@@]1(C#N)CCCOC1 235058032 572044215 /nfs/dbraw/zinc/04/42/15/572044215.db2.gz GGUIZGCFKJTLGC-SNVBAGLBSA-N 0 0 199.319 2.450 10 30 AEEERN C=CCC[C@H](O)c1cnc(C)s1 235838419 572044248 /nfs/dbraw/zinc/04/42/48/572044248.db2.gz KXZITPIGIZNXPF-QMMMGPOBSA-N 0 0 183.276 2.451 10 30 AEEERN CC1=CC(=S(C)C)C(=O)C(C)=C1 334138622 572044291 /nfs/dbraw/zinc/04/42/91/572044291.db2.gz WHZBIKSWRJKXMT-UHFFFAOYSA-N 0 0 182.288 2.163 10 30 AEEERN CC(C)[C@]12C=C[C@@H](C=O)[C@H]1C2 33951367 572044447 /nfs/dbraw/zinc/04/44/47/572044447.db2.gz UQLNHDYBGCTZNJ-IVZWLZJFSA-N 0 0 150.221 2.034 10 30 AEEERN CC1=C(C)C(=S(C)C)C=CC1=O 334138537 572044589 /nfs/dbraw/zinc/04/45/89/572044589.db2.gz XNARHWKIDRRDTI-UHFFFAOYSA-N 0 0 182.288 2.163 10 30 AEEERN C#C[C@@H](O)/C(C)=C/c1ccccc1 33955749 572045343 /nfs/dbraw/zinc/04/53/43/572045343.db2.gz BMCKXXHUTIZOHD-BZYZDCJZSA-N 0 0 172.227 2.084 10 30 AEEERN C=CCNc1ccc(N)c(OCC)c1 82523698 572045415 /nfs/dbraw/zinc/04/54/15/572045415.db2.gz CSZYFKJCFDYWBQ-UHFFFAOYSA-N 0 0 192.262 2.265 10 30 AEEERN C#CCCC[C@@H](O)c1cnc(C)s1 235839821 572045502 /nfs/dbraw/zinc/04/55/02/572045502.db2.gz LTOBVOUHOSQPRZ-SECBINFHSA-N 0 0 195.287 2.288 10 30 AEEERN CCCOc1ccc(OC)c(C#N)c1 71455423 572046343 /nfs/dbraw/zinc/04/63/43/572046343.db2.gz YEWZJQIQMKFVTO-UHFFFAOYSA-N 0 0 191.230 2.356 10 30 AEEERN CC(C)C[C@H](C)[C@H](O)[C@H](C)C#N 300917039 572046707 /nfs/dbraw/zinc/04/67/07/572046707.db2.gz MMKSNLYTDZPKGM-AEJSXWLSSA-N 0 0 169.268 2.189 10 30 AEEERN CC(C)C[C@H](C)[C@@H](O)[C@@H](C)C#N 300917046 572046994 /nfs/dbraw/zinc/04/69/94/572046994.db2.gz MMKSNLYTDZPKGM-LPEHRKFASA-N 0 0 169.268 2.189 10 30 AEEERN CC[C@@H](O)C#Cc1ccc(Cl)cc1 196458528 572047026 /nfs/dbraw/zinc/04/70/26/572047026.db2.gz MZVXQAZTLFLJBX-LLVKDONJSA-N 0 0 194.661 2.462 10 30 AEEERN CCCOc1ccc(O)c(C#N)c1 71455143 572047500 /nfs/dbraw/zinc/04/75/00/572047500.db2.gz AXDPGOOFHVKQLM-UHFFFAOYSA-N 0 0 177.203 2.053 10 30 AEEERN CCCCOc1ccc(N)c(C#N)c1 33992305 572047592 /nfs/dbraw/zinc/04/75/92/572047592.db2.gz DKBYOCLLDODXDG-UHFFFAOYSA-N 0 0 190.246 2.319 10 30 AEEERN C[C@H](C=O)[C@@H]1CC=CCC1 33961390 572047777 /nfs/dbraw/zinc/04/77/77/572047777.db2.gz WHXRWZTVIOYFFP-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)[C@H]2CC[C@H](C2)[C@@H]1C=O 33986202 572048035 /nfs/dbraw/zinc/04/80/35/572048035.db2.gz VMKZLKWCFOWLCT-VGMNWLOBSA-N 0 0 152.237 2.258 10 30 AEEERN C[C@@H](C=O)[C@@H]1CC=CCC1 33961389 572048059 /nfs/dbraw/zinc/04/80/59/572048059.db2.gz WHXRWZTVIOYFFP-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN CC1CC(OC(=O)CCCC#N)C1 388665305 572048538 /nfs/dbraw/zinc/04/85/38/572048538.db2.gz WKSARRMDUSMJMT-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@H](CC(F)F)C[C@@](C)(O)C=O 687887719 572048624 /nfs/dbraw/zinc/04/86/24/572048624.db2.gz BBFYCVSHYUFIIU-VXNVDRBHSA-N 0 0 194.221 2.008 10 30 AEEERN CC(C)COc1ccc(O)c(C#N)c1 71455200 572048653 /nfs/dbraw/zinc/04/86/53/572048653.db2.gz UUAAURKBWPKXSQ-UHFFFAOYSA-N 0 0 191.230 2.299 10 30 AEEERN CC[C@@H](CC(F)F)C[C@@](C)(O)C=O 687887718 572048880 /nfs/dbraw/zinc/04/88/80/572048880.db2.gz BBFYCVSHYUFIIU-IONNQARKSA-N 0 0 194.221 2.008 10 30 AEEERN O=CCCC/C=C/CCCC=O 218504130 572048941 /nfs/dbraw/zinc/04/89/41/572048941.db2.gz BBOMIRMGXCBPQE-OWOJBTEDSA-N 0 0 168.236 2.281 10 30 AEEERN C=C(CCC)C(=O)CC 34069150 572049103 /nfs/dbraw/zinc/04/91/03/572049103.db2.gz GYCYJYIIFIBNMX-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(C)CON[C@H]1CCCC[C@@H]1OC 400883573 572049508 /nfs/dbraw/zinc/04/95/08/572049508.db2.gz UPARLUYEXKYVHI-QWRGUYRKSA-N 0 0 199.294 2.041 10 30 AEEERN CCC[C@H](C#N)[C@](C)(O)C(C)(C)OC 300920473 572049628 /nfs/dbraw/zinc/04/96/28/572049628.db2.gz DUXNDWOXMKHIHA-KOLCDFICSA-N 0 0 199.294 2.102 10 30 AEEERN CCCCC#C/C=C\C(C)=O 218502731 572049647 /nfs/dbraw/zinc/04/96/47/572049647.db2.gz XLYBQHKPXGMSML-HJWRWDBZSA-N 0 0 150.221 2.325 10 30 AEEERN CCC[C@@H](C#N)[C@](C)(O)C(C)(C)OC 300920478 572050253 /nfs/dbraw/zinc/05/02/53/572050253.db2.gz DUXNDWOXMKHIHA-ONGXEEELSA-N 0 0 199.294 2.102 10 30 AEEERN CC[C@@H]1C[C@@H]1Nc1cc(C#N)ccn1 233916733 572050493 /nfs/dbraw/zinc/05/04/93/572050493.db2.gz LTCLTNPSPFJNNN-ZJUUUORDSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@H](CC(F)F)C[C@](C)(O)C=O 687887717 572050659 /nfs/dbraw/zinc/05/06/59/572050659.db2.gz BBFYCVSHYUFIIU-CBAPKCEASA-N 0 0 194.221 2.008 10 30 AEEERN CC1C[C@@H](C(C)(C)C)C(=O)C1=O 34060663 572050721 /nfs/dbraw/zinc/05/07/21/572050721.db2.gz TZNRTYOELHYQQE-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 AEEERN CC[C@H](CC#N)[NH2+]C[C@H]1CC1(C)C 234039823 572050788 /nfs/dbraw/zinc/05/07/88/572050788.db2.gz VQNOBYSEOYFZFJ-NXEZZACHSA-N 0 0 180.295 2.314 10 30 AEEERN CCC[C@H](C#N)[C@@](C)(O)C(C)(C)OC 300920475 572050807 /nfs/dbraw/zinc/05/08/07/572050807.db2.gz DUXNDWOXMKHIHA-MWLCHTKSSA-N 0 0 199.294 2.102 10 30 AEEERN CC1C[C@H](C(C)(C)C)C(=O)C1=O 34060664 572050816 /nfs/dbraw/zinc/05/08/16/572050816.db2.gz TZNRTYOELHYQQE-ZETCQYMHSA-N 0 0 168.236 2.454 10 30 AEEERN CCC[C@@H](C)OC(=O)[C@H](C)S 233281845 572051086 /nfs/dbraw/zinc/05/10/86/572051086.db2.gz RFYKLQONQUUCKV-RQJHMYQMSA-N 0 0 176.281 2.037 10 30 AEEERN C=C(C)CON[C@@H]1CCCC[C@@H]1OC 400883572 572051160 /nfs/dbraw/zinc/05/11/60/572051160.db2.gz UPARLUYEXKYVHI-MNOVXSKESA-N 0 0 199.294 2.041 10 30 AEEERN C=CCCOc1ncnc(Cl)c1C 82565234 572051787 /nfs/dbraw/zinc/05/17/87/572051787.db2.gz WKMCRXROZXHNPJ-UHFFFAOYSA-N 0 0 198.653 2.393 10 30 AEEERN CC(=O)C1=C(C)OC(C)(C)C1 34075575 572051907 /nfs/dbraw/zinc/05/19/07/572051907.db2.gz IFSDVANVSHYHJP-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C[C@@H](CC#N)SC[C@H]1CCCO1 235077985 572051960 /nfs/dbraw/zinc/05/19/60/572051960.db2.gz TVFMHFSPVHFTQM-DTWKUNHWSA-N 0 0 185.292 2.201 10 30 AEEERN O=C[C@@]12CCC[C@@H](CC1)C2 34079687 572052104 /nfs/dbraw/zinc/05/21/04/572052104.db2.gz HMCGOXDZKSJAIR-IUCAKERBSA-N 0 0 138.210 2.156 10 30 AEEERN CC[C@H](C#N)C1(O)CCCCC1 34075738 572052251 /nfs/dbraw/zinc/05/22/51/572052251.db2.gz QXTUQGDEKPIYBR-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN C[C@@H](CC#N)SC[C@@H]1CCCO1 235077949 572052315 /nfs/dbraw/zinc/05/23/15/572052315.db2.gz TVFMHFSPVHFTQM-IUCAKERBSA-N 0 0 185.292 2.201 10 30 AEEERN CC(=O)/C(C)=C\[C@H](O)c1ccccc1 214842672 572052357 /nfs/dbraw/zinc/05/23/57/572052357.db2.gz KZEWWWYLRGVRRQ-LAUAKBEESA-N 0 0 190.242 2.255 10 30 AEEERN C[C@](Cl)(C=O)C[C@@](F)(Cl)C#N 34084764 572052542 /nfs/dbraw/zinc/05/25/42/572052542.db2.gz UKPYPWXKKAEXHU-RITPCOANSA-N 0 0 198.024 2.001 10 30 AEEERN C[C@@](Cl)(C=O)C[C@](F)(Cl)C#N 34084773 572052606 /nfs/dbraw/zinc/05/26/06/572052606.db2.gz UKPYPWXKKAEXHU-NTSWFWBYSA-N 0 0 198.024 2.001 10 30 AEEERN C=CCOc1ncnc(Cl)c1CC 82565233 572052641 /nfs/dbraw/zinc/05/26/41/572052641.db2.gz JXRIVRVRSJUARA-UHFFFAOYSA-N 0 0 198.653 2.257 10 30 AEEERN O=C1C=CC=C2C[C@H]3CC[C@@H]1[C@@H]23 34075632 572052652 /nfs/dbraw/zinc/05/26/52/572052652.db2.gz IQZWVIACIXCBNI-YWVKMMECSA-N 0 0 160.216 2.098 10 30 AEEERN C[C@](Cl)(C=O)C[C@](F)(Cl)C#N 34084770 572052679 /nfs/dbraw/zinc/05/26/79/572052679.db2.gz UKPYPWXKKAEXHU-PHDIDXHHSA-N 0 0 198.024 2.001 10 30 AEEERN CC(C)=CCC[C@@]1(C)O[C@H]1/C=C\CO 206618585 572052763 /nfs/dbraw/zinc/05/27/63/572052763.db2.gz BTADSENLPYRVOC-ZADDAZQUSA-N 0 0 196.290 2.439 10 30 AEEERN CCO/C=N/c1sccc1C#N 34089196 572052888 /nfs/dbraw/zinc/05/28/88/572052888.db2.gz KYOORQPKEXLVHX-UXBLZVDNSA-N 0 0 180.232 2.316 10 30 AEEERN CC(C)(S)CNc1ccccc1N 34076397 572053093 /nfs/dbraw/zinc/05/30/93/572053093.db2.gz VJBUHDISXZMWHJ-UHFFFAOYSA-N 0 0 196.319 2.389 10 30 AEEERN CC=C=CCCCC=O 34075382 572053199 /nfs/dbraw/zinc/05/31/99/572053199.db2.gz WRTRZNKCJDDJJN-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN CC[C@H](C)ON=CC1CCOCC1 388665440 572053412 /nfs/dbraw/zinc/05/34/12/572053412.db2.gz WNPBBSJNQYDZGD-VIFPVBQESA-N 0 0 185.267 2.214 10 30 AEEERN C=C1C[C@@H](C)C[C@@H](CCO)C1 196452357 572053451 /nfs/dbraw/zinc/05/34/51/572053451.db2.gz AGZOEYAJDPVYOB-ZJUUUORDSA-N 0 0 154.253 2.361 10 30 AEEERN N#CCCCCSc1ccncn1 82535418 572054116 /nfs/dbraw/zinc/05/41/16/572054116.db2.gz LDGRRXZKJJNTNO-UHFFFAOYSA-N 0 0 193.275 2.263 10 30 AEEERN CC[C@@H](CC#N)Sc1ccncn1 82535438 572053738 /nfs/dbraw/zinc/05/37/38/572053738.db2.gz SHLXNRDOINUWSX-QMMMGPOBSA-N 0 0 193.275 2.261 10 30 AEEERN C[C@@](Cl)(C=O)C[C@@](F)(Cl)C#N 34084767 572053812 /nfs/dbraw/zinc/05/38/12/572053812.db2.gz UKPYPWXKKAEXHU-WDSKDSINSA-N 0 0 198.024 2.001 10 30 AEEERN CCCCSCCC/C(N)=N/O 36333173 572053818 /nfs/dbraw/zinc/05/38/18/572053818.db2.gz BGKKOGMPLRPSHQ-UHFFFAOYSA-N 0 0 190.312 2.046 10 30 AEEERN CC[C@H](CC#N)Sc1ccncn1 82535440 572053872 /nfs/dbraw/zinc/05/38/72/572053872.db2.gz SHLXNRDOINUWSX-MRVPVSSYSA-N 0 0 193.275 2.261 10 30 AEEERN C#CCOc1ccc(N)c2ccccc12 82538879 572053909 /nfs/dbraw/zinc/05/39/09/572053909.db2.gz LEMKVXXHCGNLTN-UHFFFAOYSA-N 0 0 197.237 2.434 10 30 AEEERN N#CCOc1ccc(N)c2ccccc12 82538857 572054314 /nfs/dbraw/zinc/05/43/14/572054314.db2.gz MUYNFFRRLCRONM-UHFFFAOYSA-N 0 0 198.225 2.324 10 30 AEEERN CCCCCCCC[C@@](C)(O)CO 114319096 572054153 /nfs/dbraw/zinc/05/41/53/572054153.db2.gz PSMNOXXGLNHOKI-LLVKDONJSA-N 0 0 188.311 2.480 10 30 AEEERN Cc1cccc(C)c1NC=NC#N 34104209 572054467 /nfs/dbraw/zinc/05/44/67/572054467.db2.gz FXGKERRPOQSAKS-UHFFFAOYSA-N 0 0 173.219 2.034 10 30 AEEERN C=C(C)[C@@H](C)[C@@H](C)C=O 34115134 572054603 /nfs/dbraw/zinc/05/46/03/572054603.db2.gz QYBMRCDWXBWNBP-JGVFFNPUSA-N 0 0 126.199 2.034 10 30 AEEERN C=C(C)[C@H](C)[C@H](C)C=O 34115133 572054643 /nfs/dbraw/zinc/05/46/43/572054643.db2.gz QYBMRCDWXBWNBP-SFYZADRCSA-N 0 0 126.199 2.034 10 30 AEEERN C=C1C[C@@H](C)C[C@H](CCO)C1 196452334 572055327 /nfs/dbraw/zinc/05/53/27/572055327.db2.gz AGZOEYAJDPVYOB-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN CCOC1=C(C)C(=O)[C@H](C)CC1 34102097 572055487 /nfs/dbraw/zinc/05/54/87/572055487.db2.gz GFYXSEAWRIPKIV-SSDOTTSWSA-N 0 0 168.236 2.296 10 30 AEEERN CCCCCCC[C@H]1C(=O)C=C[C@H]1O 77904148 572055495 /nfs/dbraw/zinc/05/54/95/572055495.db2.gz JOJDSFWDKMJLIB-GHMZBOCLSA-N 0 0 196.290 2.463 10 30 AEEERN C=C(C)[C@H](C)[C@@H](C)C=O 34115132 572055552 /nfs/dbraw/zinc/05/55/52/572055552.db2.gz QYBMRCDWXBWNBP-YUMQZZPRSA-N 0 0 126.199 2.034 10 30 AEEERN CC#C[C@@H](O)c1ccc(C)cc1 196452193 572055816 /nfs/dbraw/zinc/05/58/16/572055816.db2.gz VZHSRNUZKPCSDG-LLVKDONJSA-N 0 0 160.216 2.052 10 30 AEEERN C[C@@H](CC#N)Cc1nc(C2CC2)no1 235089070 572055828 /nfs/dbraw/zinc/05/58/28/572055828.db2.gz DKHFROIOWMMIPS-ZETCQYMHSA-N 0 0 191.234 2.039 10 30 AEEERN C=C1C[C@H](C)C[C@@H](CCO)C1 196452345 572055882 /nfs/dbraw/zinc/05/58/82/572055882.db2.gz AGZOEYAJDPVYOB-UWVGGRQHSA-N 0 0 154.253 2.361 10 30 AEEERN O=CCC12CCC(CC1)C2 34091281 572055943 /nfs/dbraw/zinc/05/59/43/572055943.db2.gz GORGHRYOCUAAQX-UHFFFAOYSA-N 0 0 138.210 2.156 10 30 AEEERN CCOC1=C(C)C(=O)[C@@H](C)CC1 34102098 572056050 /nfs/dbraw/zinc/05/60/50/572056050.db2.gz GFYXSEAWRIPKIV-ZETCQYMHSA-N 0 0 168.236 2.296 10 30 AEEERN N#Cc1cccc(COC2CC2)c1F 713207604 572056136 /nfs/dbraw/zinc/05/61/36/572056136.db2.gz AFTHAXCTZFMEMG-UHFFFAOYSA-N 0 0 191.205 2.376 10 30 AEEERN N#Cc1ccc(COC2CC2)c(F)c1 713207789 572056475 /nfs/dbraw/zinc/05/64/75/572056475.db2.gz BVKZHISKGORSTO-UHFFFAOYSA-N 0 0 191.205 2.376 10 30 AEEERN C=CCCNc1cc(SC)ncn1 235090910 572056527 /nfs/dbraw/zinc/05/65/27/572056527.db2.gz SEQNJWCREMCPMW-UHFFFAOYSA-N 0 0 195.291 2.187 10 30 AEEERN C[C@@]12CCCCC1=CC(O)=C(C=O)C2 34115980 572056744 /nfs/dbraw/zinc/05/67/44/572056744.db2.gz KLHGXAOBVRBAET-SKDRFNHKSA-N 0 0 192.258 2.281 10 30 AEEERN CC#C[C@H](O)c1ccc(C)cc1 196452180 572056949 /nfs/dbraw/zinc/05/69/49/572056949.db2.gz VZHSRNUZKPCSDG-NSHDSACASA-N 0 0 160.216 2.052 10 30 AEEERN N#C[C@H](C=O)Cc1cccc(Cl)c1 34116003 572057273 /nfs/dbraw/zinc/05/72/73/572057273.db2.gz DWHMVXWXSUEYKD-SECBINFHSA-N 0 0 193.633 2.221 10 30 AEEERN N#C[C@@]1(c2cccnc2)CCCS1 34115938 572057290 /nfs/dbraw/zinc/05/72/90/572057290.db2.gz STFPMBULOKAKRO-SNVBAGLBSA-N 0 0 190.271 2.327 10 30 AEEERN CCCOC1=CC(=O)CCC1 34129083 572057401 /nfs/dbraw/zinc/05/74/01/572057401.db2.gz YROZRZCRUGLQEF-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN Cc1ccnn1-c1cccc(C#N)c1 48218374 572057636 /nfs/dbraw/zinc/05/76/36/572057636.db2.gz AHLCNLVTEGMNSJ-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN C[C@H](C#N)CN[C@H](C)c1ccccc1 36667700 572057645 /nfs/dbraw/zinc/05/76/45/572057645.db2.gz VRILLURVYMTWAJ-GHMZBOCLSA-N 0 0 188.274 2.497 10 30 AEEERN N#C[C@@H](C=O)Cc1cccc(Cl)c1 34116004 572057677 /nfs/dbraw/zinc/05/76/77/572057677.db2.gz DWHMVXWXSUEYKD-VIFPVBQESA-N 0 0 193.633 2.221 10 30 AEEERN C[C@@H](CCC#N)c1nc(C2CC2)no1 235094632 572057695 /nfs/dbraw/zinc/05/76/95/572057695.db2.gz UVBOOOPSWCOTPO-ZETCQYMHSA-N 0 0 191.234 2.354 10 30 AEEERN CC(C)OC1=CCCCC1=O 34122551 572057696 /nfs/dbraw/zinc/05/76/96/572057696.db2.gz WJWVOTIDIAUGAR-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C[C@@]1(CC=O)CC[C@H](c2ccoc2)O1 34116015 572057736 /nfs/dbraw/zinc/05/77/36/572057736.db2.gz LRBXSGZGKPEADI-MNOVXSKESA-N 0 0 194.230 2.479 10 30 AEEERN N#Cc1cc(F)cc(COC2CC2)c1 713208259 572057746 /nfs/dbraw/zinc/05/77/46/572057746.db2.gz FUAUFMOGJPFBJE-UHFFFAOYSA-N 0 0 191.205 2.376 10 30 AEEERN C[C@H](C#N)CN[C@@H](C)c1ccccc1 36667696 572057828 /nfs/dbraw/zinc/05/78/28/572057828.db2.gz VRILLURVYMTWAJ-MNOVXSKESA-N 0 0 188.274 2.497 10 30 AEEERN C#CCC(=O)[C@@H](C)CCCC 300922008 572057952 /nfs/dbraw/zinc/05/79/52/572057952.db2.gz LISFHFLURFULOM-VIFPVBQESA-N 0 0 152.237 2.405 10 30 AEEERN CC(C)c1cc(C#N)c(C#N)cc1C#N 36459422 572058012 /nfs/dbraw/zinc/05/80/12/572058012.db2.gz VQOHGRPRXTZVAQ-UHFFFAOYSA-N 0 0 195.225 2.425 10 30 AEEERN OCC#CC12CC3CC(CC(C3)C1)C2 196044265 572058404 /nfs/dbraw/zinc/05/84/04/572058404.db2.gz HSUVMBPJEVIBHK-UHFFFAOYSA-N 0 0 190.286 2.199 10 30 AEEERN N#C[C@]1(c2cccnc2)CCCS1 34115939 572058202 /nfs/dbraw/zinc/05/82/02/572058202.db2.gz STFPMBULOKAKRO-JTQLQIEISA-N 0 0 190.271 2.327 10 30 AEEERN C=C(C)c1cccc(=O)c(OC)c1 196452850 572058192 /nfs/dbraw/zinc/05/81/92/572058192.db2.gz YKULTILFBWHWHK-UHFFFAOYSA-N 0 0 176.215 2.089 10 30 AEEERN C#CCCC(=O)Oc1ccccc1 78106866 572058924 /nfs/dbraw/zinc/05/89/24/572058924.db2.gz LEOUZCOIVDHILX-UHFFFAOYSA-N 0 0 174.199 2.005 10 30 AEEERN O=C(NCl)Nc1ccccc1 34154111 572059053 /nfs/dbraw/zinc/05/90/53/572059053.db2.gz ULYSMQORPOQZCP-UHFFFAOYSA-N 0 0 170.599 2.166 10 30 AEEERN C[C@@H]1CC[C@H](CC=O)C1 34155567 572059178 /nfs/dbraw/zinc/05/91/78/572059178.db2.gz GVOLJUIKNSUFMB-HTQZYQBOSA-N 0 0 126.199 2.012 10 30 AEEERN CC(C)C[C@@H]1CC[C@H](C#N)C1=O 196448191 572059225 /nfs/dbraw/zinc/05/92/25/572059225.db2.gz UNHFUMWZVWCLGN-DTWKUNHWSA-N 0 0 165.236 2.151 10 30 AEEERN O=C1CCC2=C1[C@H]1C=C[C@@H](C2)C1 34172884 572059304 /nfs/dbraw/zinc/05/93/04/572059304.db2.gz NKFQJOSEAWLQNL-SFYZADRCSA-N 0 0 160.216 2.242 10 30 AEEERN C[C@@H]1CC[C@@H](CC=O)C1 34155569 572059342 /nfs/dbraw/zinc/05/93/42/572059342.db2.gz GVOLJUIKNSUFMB-SFYZADRCSA-N 0 0 126.199 2.012 10 30 AEEERN C[C@H](NC[C@@H](C)C#N)c1ccccc1 36667698 572059379 /nfs/dbraw/zinc/05/93/79/572059379.db2.gz VRILLURVYMTWAJ-QWRGUYRKSA-N 0 0 188.274 2.497 10 30 AEEERN O=C1C=C[C@@H](OCc2ccccc2)C1 34143941 572059408 /nfs/dbraw/zinc/05/94/08/572059408.db2.gz GKJZWZPOWCNPEK-GFCCVEGCSA-N 0 0 188.226 2.101 10 30 AEEERN CC/C=C/C[C@H]1CC=CC1=O 34144207 572059446 /nfs/dbraw/zinc/05/94/46/572059446.db2.gz WXUJMGJISTVKIY-NWALNABHSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](S)C(=O)OC1CCCCC1 34164275 572059693 /nfs/dbraw/zinc/05/96/93/572059693.db2.gz HPUNLFNHNWXDCI-ZETCQYMHSA-N 0 0 188.292 2.181 10 30 AEEERN CC(C)C[C@H]1CC[C@H](C#N)C1=O 196448199 572059521 /nfs/dbraw/zinc/05/95/21/572059521.db2.gz UNHFUMWZVWCLGN-RKDXNWHRSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)C[C@@H]1CC[C@@H](C#N)C1=O 196448216 572059652 /nfs/dbraw/zinc/05/96/52/572059652.db2.gz UNHFUMWZVWCLGN-IUCAKERBSA-N 0 0 165.236 2.151 10 30 AEEERN COc1cc(OC)cc([C@@H](C)C#N)c1 34156292 572059738 /nfs/dbraw/zinc/05/97/38/572059738.db2.gz OMTCBULMCFFOEF-QMMMGPOBSA-N 0 0 191.230 2.331 10 30 AEEERN CCCN[C@H](C#N)[C@H]1CC=CCC1 36336228 572059759 /nfs/dbraw/zinc/05/97/59/572059759.db2.gz SHLIJAPWSRKOHH-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN O=CC[C@H]1CC=CCC12CC2 34172915 572059828 /nfs/dbraw/zinc/05/98/28/572059828.db2.gz NVDRSXRBQAYIHY-SECBINFHSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H]1CC[C@H](CC=O)C1 34155568 572059924 /nfs/dbraw/zinc/05/99/24/572059924.db2.gz GVOLJUIKNSUFMB-JGVFFNPUSA-N 0 0 126.199 2.012 10 30 AEEERN C#CC1=C(C)C(=O)CCC1(C)C 34153816 572059899 /nfs/dbraw/zinc/05/98/99/572059899.db2.gz CVNBTOCGFYMYRQ-UHFFFAOYSA-N 0 0 162.232 2.325 10 30 AEEERN CCCC(C)(C)C(=O)CC#N 196447814 572059916 /nfs/dbraw/zinc/05/99/16/572059916.db2.gz HYZWSHLTDKVJLJ-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN O=C1CCC2=C1[C@@H]1C=C[C@H](C2)C1 34172885 572060008 /nfs/dbraw/zinc/06/00/08/572060008.db2.gz NKFQJOSEAWLQNL-JGVFFNPUSA-N 0 0 160.216 2.242 10 30 AEEERN CC(C)CCOC[C@@H](C)C#N 36677188 572060048 /nfs/dbraw/zinc/06/00/48/572060048.db2.gz HNEXSAPRDJXAPC-VIFPVBQESA-N 0 0 155.241 2.209 10 30 AEEERN CCC1=CCC(C)(C)C1=O 196450109 572060132 /nfs/dbraw/zinc/06/01/32/572060132.db2.gz XDLYIENWMPNTKJ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H]1CC[C@@H](CC=O)C1 34155570 572060266 /nfs/dbraw/zinc/06/02/66/572060266.db2.gz GVOLJUIKNSUFMB-YUMQZZPRSA-N 0 0 126.199 2.012 10 30 AEEERN CC(C)C[C@H]1CC[C@@H](C#N)C1=O 196448224 572060499 /nfs/dbraw/zinc/06/04/99/572060499.db2.gz UNHFUMWZVWCLGN-BDAKNGLRSA-N 0 0 165.236 2.151 10 30 AEEERN O=CC[C@@H]1CC=CCC12CC2 34172916 572060724 /nfs/dbraw/zinc/06/07/24/572060724.db2.gz NVDRSXRBQAYIHY-VIFPVBQESA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](S)C(=O)OC1CCCCC1 34164276 572060784 /nfs/dbraw/zinc/06/07/84/572060784.db2.gz HPUNLFNHNWXDCI-SSDOTTSWSA-N 0 0 188.292 2.181 10 30 AEEERN CCC(=O)C#CC(C)(C)C 196444692 572060796 /nfs/dbraw/zinc/06/07/96/572060796.db2.gz UQBGQHDPPBKRIX-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CC[C@H](CC#N)Sc1nccn1C 36679166 572061472 /nfs/dbraw/zinc/06/14/72/572061472.db2.gz SPNOTFMAQJSMKC-MRVPVSSYSA-N 0 0 195.291 2.204 10 30 AEEERN CCCS[C@H](CC)C/C(N)=N/O 36681373 572061235 /nfs/dbraw/zinc/06/12/35/572061235.db2.gz OCTDVGIZTOKNCB-SSDOTTSWSA-N 0 0 190.312 2.045 10 30 AEEERN O=C1CCCC2=C1[C@@H]1CCC[C@@H]21 34179475 572061238 /nfs/dbraw/zinc/06/12/38/572061238.db2.gz AJHNJMWPRZGMOM-HTQZYQBOSA-N 0 0 162.232 2.466 10 30 AEEERN O=C1C=C[C@@]23CCCC[C@@]12C3 196440731 572061257 /nfs/dbraw/zinc/06/12/57/572061257.db2.gz CVNUMUHSBFBFKZ-NXEZZACHSA-N 0 0 148.205 2.076 10 30 AEEERN C=C=CC(=O)c1ccccc1C 196444632 572061303 /nfs/dbraw/zinc/06/13/03/572061303.db2.gz MBQKZFKXGAJYQK-UHFFFAOYSA-N 0 0 158.200 2.201 10 30 AEEERN CSCCSCCS 34186197 572061417 /nfs/dbraw/zinc/06/14/17/572061417.db2.gz GRFWQYNLEGPKTO-UHFFFAOYSA-N 0 0 168.352 2.012 10 30 AEEERN O=C1CCCC2=C1[C@@H]1CCC[C@H]21 34179476 572061439 /nfs/dbraw/zinc/06/14/39/572061439.db2.gz AJHNJMWPRZGMOM-JGVFFNPUSA-N 0 0 162.232 2.466 10 30 AEEERN CC[C@H](CC#N)Sc1ncccn1 36679600 572061478 /nfs/dbraw/zinc/06/14/78/572061478.db2.gz FAZNLYNOXIMMGA-MRVPVSSYSA-N 0 0 193.275 2.261 10 30 AEEERN COC1=CC=CCC2=C1CCC2=O 34179691 572061486 /nfs/dbraw/zinc/06/14/86/572061486.db2.gz UOKQFTJRBJFEOK-UHFFFAOYSA-N 0 0 176.215 2.136 10 30 AEEERN C[C@H](C=O)CSC(C)(C)C 34194606 572061747 /nfs/dbraw/zinc/06/17/47/572061747.db2.gz WKNQQZNBNKGQHS-SSDOTTSWSA-N 0 0 160.282 2.353 10 30 AEEERN C=CC[C@H]1C[C@H]2C=C[C@@H]1CC2=O 196445312 572061817 /nfs/dbraw/zinc/06/18/17/572061817.db2.gz LODZLQTWSFIXPH-IVZWLZJFSA-N 0 0 162.232 2.344 10 30 AEEERN CC(C)SC(C)(C)C=O 34179340 572061853 /nfs/dbraw/zinc/06/18/53/572061853.db2.gz SZARSRCIZSASSO-UHFFFAOYSA-N 0 0 146.255 2.106 10 30 AEEERN C=C1c2ccccc2CC[C@@H]1O 196450833 572061905 /nfs/dbraw/zinc/06/19/05/572061905.db2.gz YMXJMMGEYQOZRA-NSHDSACASA-N 0 0 160.216 2.007 10 30 AEEERN C=C[C@]1(C)C(=O)N(C)c2ccccc21 34179948 572061938 /nfs/dbraw/zinc/06/19/38/572061938.db2.gz SCPKDECMIXJXEX-LBPRGKRZSA-N 0 0 187.242 2.107 10 30 AEEERN O=C1CCCC2=C1[C@H]1CCC[C@@H]21 34179477 572062310 /nfs/dbraw/zinc/06/23/10/572062310.db2.gz AJHNJMWPRZGMOM-SFYZADRCSA-N 0 0 162.232 2.466 10 30 AEEERN C=C1c2ccccc2CC[C@H]1O 196450845 572062509 /nfs/dbraw/zinc/06/25/09/572062509.db2.gz YMXJMMGEYQOZRA-LLVKDONJSA-N 0 0 160.216 2.007 10 30 AEEERN O=C1CCCC2=C1[C@H]1CCC[C@H]21 34179478 572062810 /nfs/dbraw/zinc/06/28/10/572062810.db2.gz AJHNJMWPRZGMOM-YUMQZZPRSA-N 0 0 162.232 2.466 10 30 AEEERN CC(C)C1=CC(=O)[C@H](C)[C@@H](C#N)C1 34179716 572062955 /nfs/dbraw/zinc/06/29/55/572062955.db2.gz IFKXAARVLHWJDW-PSASIEDQSA-N 0 0 177.247 2.317 10 30 AEEERN C=C(CCO)C[Si](C)(C)C 196054939 572063018 /nfs/dbraw/zinc/06/30/18/572063018.db2.gz CLWNUAYRYJXMAP-UHFFFAOYSA-N 0 0 158.317 2.263 10 30 AEEERN C=C1CCCC(C)(C)C1=O 34194460 572063125 /nfs/dbraw/zinc/06/31/25/572063125.db2.gz RYDQMARSGKAKNB-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@H](CC#N)Sc1nccn1C 36679165 572063260 /nfs/dbraw/zinc/06/32/60/572063260.db2.gz SPNOTFMAQJSMKC-QMMMGPOBSA-N 0 0 195.291 2.204 10 30 AEEERN CC[C@@H](CC#N)Sc1ncccn1 36679599 572063640 /nfs/dbraw/zinc/06/36/40/572063640.db2.gz FAZNLYNOXIMMGA-QMMMGPOBSA-N 0 0 193.275 2.261 10 30 AEEERN CCCS[C@@H](CC)C/C(N)=N/O 36681371 572063668 /nfs/dbraw/zinc/06/36/68/572063668.db2.gz OCTDVGIZTOKNCB-ZETCQYMHSA-N 0 0 190.312 2.045 10 30 AEEERN C[C@H](C=O)CCOCc1ccccc1 34227325 572063674 /nfs/dbraw/zinc/06/36/74/572063674.db2.gz HPLHNHIWNLNAEZ-NSHDSACASA-N 0 0 192.258 2.428 10 30 AEEERN C[C@H](C#N)N(C)CCc1cccs1 82602347 572063762 /nfs/dbraw/zinc/06/37/62/572063762.db2.gz ISSBCZBESMQZEX-SECBINFHSA-N 0 0 194.303 2.134 10 30 AEEERN C=C(CC)C[C@@H](O)c1cc(C)n(C)n1 300923642 572063783 /nfs/dbraw/zinc/06/37/83/572063783.db2.gz PZSYGYMXTFUQOY-LLVKDONJSA-N 0 0 194.278 2.118 10 30 AEEERN CC1=CC(=O)C[C@@H](c2ccccc2)N1 34226864 572063790 /nfs/dbraw/zinc/06/37/90/572063790.db2.gz BWYQNIHGLLVSBK-LBPRGKRZSA-N 0 0 187.242 2.194 10 30 AEEERN C[C@H]1CCN=C(Nc2ccccc2)O1 34224195 572064132 /nfs/dbraw/zinc/06/41/32/572064132.db2.gz LZBDYBHOHZKMKL-VIFPVBQESA-N 0 0 190.246 2.073 10 30 AEEERN C=CCC1=CC(=O)C(C)(C)C1 34213929 572064208 /nfs/dbraw/zinc/06/42/08/572064208.db2.gz ORULQXLTURFMNO-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN O=C1C=CC[C@@]23CCC[C@@]12CC3 34213682 572064271 /nfs/dbraw/zinc/06/42/71/572064271.db2.gz RFHBXNHEJQOYLV-WDEREUQCSA-N 0 0 162.232 2.466 10 30 AEEERN C[C@@](C#N)(CO)c1ccc(Cl)cc1 34212331 572064440 /nfs/dbraw/zinc/06/44/40/572064440.db2.gz TYMKJAKRLXZKBK-SNVBAGLBSA-N 0 0 195.649 2.114 10 30 AEEERN N#CC[C@@H]1CC[C@@H](c2cnsc2)O1 712888350 572064487 /nfs/dbraw/zinc/06/44/87/572064487.db2.gz HCURHAYRPJLNQO-IUCAKERBSA-N 0 0 194.259 2.277 10 30 AEEERN C[C@](C#N)(CO)c1ccc(Cl)cc1 34212330 572064578 /nfs/dbraw/zinc/06/45/78/572064578.db2.gz TYMKJAKRLXZKBK-JTQLQIEISA-N 0 0 195.649 2.114 10 30 AEEERN C[C@@H](C#N)N(C)CCc1cccs1 82602346 572064767 /nfs/dbraw/zinc/06/47/67/572064767.db2.gz ISSBCZBESMQZEX-VIFPVBQESA-N 0 0 194.303 2.134 10 30 AEEERN CC1=CC(=O)C[C@H](c2ccccc2)N1 34226863 572064776 /nfs/dbraw/zinc/06/47/76/572064776.db2.gz BWYQNIHGLLVSBK-GFCCVEGCSA-N 0 0 187.242 2.194 10 30 AEEERN C=C1CCc2[nH]c3c(c2C1=O)CCC3 34211962 572064825 /nfs/dbraw/zinc/06/48/25/572064825.db2.gz APHXQUFHQCVULZ-UHFFFAOYSA-N 0 0 187.242 2.189 10 30 AEEERN CC1=C2CC[C@H](C)[C@H]2CC1=O 34226611 572064842 /nfs/dbraw/zinc/06/48/42/572064842.db2.gz WTUDMZGQKTZBCN-IMTBSYHQSA-N 0 0 150.221 2.322 10 30 AEEERN N#CC[C@H]1CC[C@H](c2cnsc2)O1 712888351 572064886 /nfs/dbraw/zinc/06/48/86/572064886.db2.gz HCURHAYRPJLNQO-RKDXNWHRSA-N 0 0 194.259 2.277 10 30 AEEERN C[C@@H](C=O)CCOCc1ccccc1 34227326 572065053 /nfs/dbraw/zinc/06/50/53/572065053.db2.gz HPLHNHIWNLNAEZ-LLVKDONJSA-N 0 0 192.258 2.428 10 30 AEEERN CC1=C2CC[C@H](C)[C@@H]2CC1=O 34226610 572065223 /nfs/dbraw/zinc/06/52/23/572065223.db2.gz WTUDMZGQKTZBCN-RCOVLWMOSA-N 0 0 150.221 2.322 10 30 AEEERN N#CC[C@@H]1CC[C@H](c2cnsc2)O1 712888346 572065471 /nfs/dbraw/zinc/06/54/71/572065471.db2.gz HCURHAYRPJLNQO-DTWKUNHWSA-N 0 0 194.259 2.277 10 30 AEEERN C[C@@H]1CCN=C(Nc2ccccc2)O1 34224194 572065482 /nfs/dbraw/zinc/06/54/82/572065482.db2.gz LZBDYBHOHZKMKL-SECBINFHSA-N 0 0 190.246 2.073 10 30 AEEERN O=C1C=CC[C@]23CCC[C@]12CC3 34213681 572065616 /nfs/dbraw/zinc/06/56/16/572065616.db2.gz RFHBXNHEJQOYLV-MNOVXSKESA-N 0 0 162.232 2.466 10 30 AEEERN C=C(CC)C[C@H](O)c1cc(C)n(C)n1 300923646 572065624 /nfs/dbraw/zinc/06/56/24/572065624.db2.gz PZSYGYMXTFUQOY-NSHDSACASA-N 0 0 194.278 2.118 10 30 AEEERN CCCC(=O)CCCC#N 34240089 572065842 /nfs/dbraw/zinc/06/58/42/572065842.db2.gz ZBMMCVNENNQRTP-UHFFFAOYSA-N 0 0 139.198 2.049 10 30 AEEERN COc1ccc2c(c1)C=C(C)C2=O 34265410 572066611 /nfs/dbraw/zinc/06/66/11/572066611.db2.gz JOADQSZYPBPKAA-UHFFFAOYSA-N 0 0 174.199 2.295 10 30 AEEERN C=CC[C@@H]1SCCCCC1=O 34246746 572066659 /nfs/dbraw/zinc/06/66/59/572066659.db2.gz KESXTHWVOYXRIY-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN CC[C@H](O)C#Cc1ccc(Cl)cc1 196458520 572067235 /nfs/dbraw/zinc/06/72/35/572067235.db2.gz MZVXQAZTLFLJBX-NSHDSACASA-N 0 0 194.661 2.462 10 30 AEEERN N#CC(C#N)/C=C/c1ccccc1 16450862 572067589 /nfs/dbraw/zinc/06/75/89/572067589.db2.gz AOLRDINOXWSCLU-VOTSOKGWSA-N 0 0 168.199 2.363 10 30 AEEERN CCCCC[C@H](CO)CS 196456561 572068002 /nfs/dbraw/zinc/06/80/02/572068002.db2.gz IZXSHFPATBGNPM-MRVPVSSYSA-N 0 0 162.298 2.105 10 30 AEEERN CCCCC#Cc1cccc(N)n1 196458899 572068229 /nfs/dbraw/zinc/06/82/29/572068229.db2.gz VACHUJHFMYYJML-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCCCC[C@@H](CO)CS 196456544 572068237 /nfs/dbraw/zinc/06/82/37/572068237.db2.gz IZXSHFPATBGNPM-QMMMGPOBSA-N 0 0 162.298 2.105 10 30 AEEERN C=C(C)CONCCC1CCC1 400906258 572068551 /nfs/dbraw/zinc/06/85/51/572068551.db2.gz QPBKRVNOVOEUKX-UHFFFAOYSA-N 0 0 169.268 2.274 10 30 AEEERN CC[C@]12CCC(=O)C=C1CCC2=O 34290339 572068880 /nfs/dbraw/zinc/06/88/80/572068880.db2.gz MYTKJBIMJTVIRA-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN C=CCCC/C=C/C[N@H+](CC)CCO 113583710 572068910 /nfs/dbraw/zinc/06/89/10/572068910.db2.gz RPWMCJXSCHWXKX-CMDGGOBGSA-N 0 0 197.322 2.213 10 30 AEEERN C=CC(=C)CCCCCO 196456342 572069041 /nfs/dbraw/zinc/06/90/41/572069041.db2.gz CZOAHCQSXJUJOE-UHFFFAOYSA-N 0 0 140.226 2.281 10 30 AEEERN C=CC[C@H](C[C@@H](C)CC(C)C)NN 300925626 572069441 /nfs/dbraw/zinc/06/94/41/572069441.db2.gz NGHMLWPIHKLCER-WDEREUQCSA-N 0 0 184.327 2.467 10 30 AEEERN C=CCCC/C=C\C[N@H+](CC)CCO 113583707 572069497 /nfs/dbraw/zinc/06/94/97/572069497.db2.gz RPWMCJXSCHWXKX-HJWRWDBZSA-N 0 0 197.322 2.213 10 30 AEEERN C=CC[C@H](C[C@H](C)CC(C)C)NN 300925621 572069716 /nfs/dbraw/zinc/06/97/16/572069716.db2.gz NGHMLWPIHKLCER-GHMZBOCLSA-N 0 0 184.327 2.467 10 30 AEEERN C=CCCC[C@H](C)CCO 34268127 572069785 /nfs/dbraw/zinc/06/97/85/572069785.db2.gz NPFMMNUXJYELCI-VIFPVBQESA-N 0 0 142.242 2.361 10 30 AEEERN CC1(C)c2ccccc2[C@H]2O[C@H]21 34274415 572069835 /nfs/dbraw/zinc/06/98/35/572069835.db2.gz JOSBZRJIQVAXGE-NXEZZACHSA-N 0 0 160.216 2.418 10 30 AEEERN C=C[C@H](C)[C@@H]1C(=O)CC[C@@H]1C 220901342 572069948 /nfs/dbraw/zinc/06/99/48/572069948.db2.gz XLOKNBCSPZGLFE-NRPADANISA-N 0 0 152.237 2.424 10 30 AEEERN CC1(C)c2ccccc2[C@@H]2O[C@@H]21 34274414 572070072 /nfs/dbraw/zinc/07/00/72/572070072.db2.gz JOSBZRJIQVAXGE-UWVGGRQHSA-N 0 0 160.216 2.418 10 30 AEEERN CC1=C2CC[C@H](O)C[C@@]2(C)CCC1=O 34278021 572070076 /nfs/dbraw/zinc/07/00/76/572070076.db2.gz VMCISHXOCUKLMZ-JOYOIKCWSA-N 0 0 194.274 2.217 10 30 AEEERN C=CC[C@@H](C[C@@H](C)CC(C)C)NN 300925624 572070193 /nfs/dbraw/zinc/07/01/93/572070193.db2.gz NGHMLWPIHKLCER-QWRGUYRKSA-N 0 0 184.327 2.467 10 30 AEEERN CC[C@@]12CCC(=O)C=C1CCC2=O 34290338 572070543 /nfs/dbraw/zinc/07/05/43/572070543.db2.gz MYTKJBIMJTVIRA-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN CC1=CC(F)(F)C=C(C)C1=O 34278585 572070642 /nfs/dbraw/zinc/07/06/42/572070642.db2.gz AWELHXQJUQMNQH-UHFFFAOYSA-N 0 0 158.147 2.097 10 30 AEEERN CC(C)N[C@H](C#N)Cc1ccccc1 36924744 572073054 /nfs/dbraw/zinc/07/30/54/572073054.db2.gz GWIMXXNMMSUUOP-LBPRGKRZSA-N 0 0 188.274 2.119 10 30 AEEERN CC(=O)Nc1ccc(C)c(C)c1C#N 34304350 572073088 /nfs/dbraw/zinc/07/30/88/572073088.db2.gz XKMMCEBMPUZCSI-UHFFFAOYSA-N 0 0 188.230 2.134 10 30 AEEERN N#CCOc1cc2ccccc2cc1O 36897019 572073146 /nfs/dbraw/zinc/07/31/46/572073146.db2.gz CWKLJZWPTYGPIN-UHFFFAOYSA-N 0 0 199.209 2.448 10 30 AEEERN CC[C@H](CC#N)SCCCOC 82629608 572077704 /nfs/dbraw/zinc/07/77/04/572077704.db2.gz NVVGQKJHSLNQSF-SECBINFHSA-N 0 0 187.308 2.448 10 30 AEEERN C[C@@H](CC(=O)N[C@H](C)C#N)C(C)(C)C 82618934 572073336 /nfs/dbraw/zinc/07/33/36/572073336.db2.gz JMMZMINEJCEHNC-DTWKUNHWSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@@]12CCCC(=O)C1=CC(=O)CC2 34326331 572073337 /nfs/dbraw/zinc/07/33/37/572073337.db2.gz KMMCFTRMDWZOCX-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN CC[C@@H](C#N)NCC1(C)CCCC1 82625372 572073610 /nfs/dbraw/zinc/07/36/10/572073610.db2.gz DBKMDEOIMMNUSD-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN CC(C)(C)C(=O)C=C(N)C(C)(C)C 34329743 572073744 /nfs/dbraw/zinc/07/37/44/572073744.db2.gz DDPIEHJGNCQPFR-FPLPWBNLSA-N 0 0 183.295 2.490 10 30 AEEERN CC1=C([C@H](C)O)C(C)(C)CCC1=O 34344691 572073765 /nfs/dbraw/zinc/07/37/65/572073765.db2.gz JYJJAYUPJXAPSH-QMMMGPOBSA-N 0 0 182.263 2.073 10 30 AEEERN C=CCCC[C@@H](O)/C=C\C 78817853 572073777 /nfs/dbraw/zinc/07/37/77/572073777.db2.gz MKXKQBLVHSAODX-WYDVEAGSSA-N 0 0 140.226 2.280 10 30 AEEERN CC(C)[C@H](C#N)Nc1ccccc1O 34333252 572073859 /nfs/dbraw/zinc/07/38/59/572073859.db2.gz WARGTTYJFFVXSZ-JTQLQIEISA-N 0 0 190.246 2.352 10 30 AEEERN CC[C@@H](C)OC(=O)[C@H](S)C(C)C 233843660 572073952 /nfs/dbraw/zinc/07/39/52/572073952.db2.gz FDEKRCBZYWEUJJ-HTQZYQBOSA-N 0 0 190.308 2.283 10 30 AEEERN CC(C)[C@@H](C#N)Nc1ccccc1O 34333251 572073954 /nfs/dbraw/zinc/07/39/54/572073954.db2.gz WARGTTYJFFVXSZ-SNVBAGLBSA-N 0 0 190.246 2.352 10 30 AEEERN CC1=C([C@@H](C)O)C(C)(C)CCC1=O 34344690 572073968 /nfs/dbraw/zinc/07/39/68/572073968.db2.gz JYJJAYUPJXAPSH-MRVPVSSYSA-N 0 0 182.263 2.073 10 30 AEEERN C[C@@H](CC(=O)N(C)CC#N)C(C)(C)C 82618938 572074041 /nfs/dbraw/zinc/07/40/41/572074041.db2.gz JSUOMZPPBSKELX-VIFPVBQESA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)COC1=CC(=O)[C@@H](C)C1 34337752 572074186 /nfs/dbraw/zinc/07/41/86/572074186.db2.gz FZSKIOXQLHOWCI-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCNC(=O)C[C@@H](C)C(C)(C)C 82618905 572074125 /nfs/dbraw/zinc/07/41/25/572074125.db2.gz KIOJBJBDADVFHY-SECBINFHSA-N 0 0 183.295 2.361 10 30 AEEERN C=CC[C@H](CO)[C@H]1CCC[C@H](OC)C1 686325159 572074200 /nfs/dbraw/zinc/07/42/00/572074200.db2.gz XVKZFPDSGFUCQO-TUAOUCFPSA-N 0 0 198.306 2.376 10 30 AEEERN CC1=CC(=O)[C@@H](C)CCC1 34349003 572074261 /nfs/dbraw/zinc/07/42/61/572074261.db2.gz WUJRZBYPHSUSDL-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H](C#N)NC(=O)C[C@H](C)C(C)(C)C 82618932 572074291 /nfs/dbraw/zinc/07/42/91/572074291.db2.gz JMMZMINEJCEHNC-IUCAKERBSA-N 0 0 196.294 2.087 10 30 AEEERN C=CC[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 686325157 572074322 /nfs/dbraw/zinc/07/43/22/572074322.db2.gz XVKZFPDSGFUCQO-IJLUTSLNSA-N 0 0 198.306 2.376 10 30 AEEERN CCC[C@H](C#N)Nc1ccccc1O 34333250 572074391 /nfs/dbraw/zinc/07/43/91/572074391.db2.gz ATFSNMVFBPEMCI-SECBINFHSA-N 0 0 190.246 2.496 10 30 AEEERN CC/C=C/C(=O)CCC 34354562 572074452 /nfs/dbraw/zinc/07/44/52/572074452.db2.gz SEVSRVAJBFYTEX-FNORWQNLSA-N 0 0 126.199 2.322 10 30 AEEERN CCC[C@@H](C#N)Nc1ccccc1O 34333249 572074665 /nfs/dbraw/zinc/07/46/65/572074665.db2.gz ATFSNMVFBPEMCI-VIFPVBQESA-N 0 0 190.246 2.496 10 30 AEEERN CC(C)COC1=CC(=O)[C@H](C)C1 34337751 572074576 /nfs/dbraw/zinc/07/45/76/572074576.db2.gz FZSKIOXQLHOWCI-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN CC1=CC(=O)C(C)(C)CC=C1 34343102 572074594 /nfs/dbraw/zinc/07/45/94/572074594.db2.gz OZOGAMQMPROPIV-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](CC(=O)N(C)CC#N)C(C)(C)C 82618939 572074677 /nfs/dbraw/zinc/07/46/77/572074677.db2.gz JSUOMZPPBSKELX-SECBINFHSA-N 0 0 196.294 2.041 10 30 AEEERN C=C[C@@H](O)C1=C(C)C(=O)CCC1(C)C 34344688 572075295 /nfs/dbraw/zinc/07/52/95/572075295.db2.gz BLAFQOPXPFXSDW-SECBINFHSA-N 0 0 194.274 2.239 10 30 AEEERN C[C@@H](CC=O)COCc1ccccc1 34337918 572074707 /nfs/dbraw/zinc/07/47/07/572074707.db2.gz NCJNVNMUNXTXRP-NSHDSACASA-N 0 0 192.258 2.428 10 30 AEEERN CC(C)N[C@@H](C#N)c1ccc(C#N)cc1 36924662 572074817 /nfs/dbraw/zinc/07/48/17/572074817.db2.gz RFRAUQRQAHHTOO-LBPRGKRZSA-N 0 0 199.257 2.121 10 30 AEEERN CC[C@H](C#N)NCC1(C)CCCC1 82625373 572074891 /nfs/dbraw/zinc/07/48/91/572074891.db2.gz DBKMDEOIMMNUSD-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN C=CC[C@H](CO)[C@@H]1CCC[C@H](OC)C1 686325160 572075108 /nfs/dbraw/zinc/07/51/08/572075108.db2.gz XVKZFPDSGFUCQO-UTUOFQBUSA-N 0 0 198.306 2.376 10 30 AEEERN C=CCNC(=O)C[C@H](C)C(C)(C)C 82618904 572075128 /nfs/dbraw/zinc/07/51/28/572075128.db2.gz KIOJBJBDADVFHY-VIFPVBQESA-N 0 0 183.295 2.361 10 30 AEEERN C/C=C/C[C@@H](C=O)CC 34349888 572075160 /nfs/dbraw/zinc/07/51/60/572075160.db2.gz DACAFOJUSNEQJC-WGAJWPLOSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@H](O)C1=C(C)C(=O)CCC1(C)C 34344689 572075188 /nfs/dbraw/zinc/07/51/88/572075188.db2.gz BLAFQOPXPFXSDW-VIFPVBQESA-N 0 0 194.274 2.239 10 30 AEEERN CC(C)(C#N)Nc1ccccc1O 34333257 572075721 /nfs/dbraw/zinc/07/57/21/572075721.db2.gz KLCTTWLLQOGULP-UHFFFAOYSA-N 0 0 176.219 2.106 10 30 AEEERN N#CCCCOc1ccccc1O 36896839 572075271 /nfs/dbraw/zinc/07/52/71/572075271.db2.gz ADFPSNHJMDFZFL-UHFFFAOYSA-N 0 0 177.203 2.075 10 30 AEEERN CC1=CC(=O)[C@H](C)CCC1 34349002 572075315 /nfs/dbraw/zinc/07/53/15/572075315.db2.gz WUJRZBYPHSUSDL-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C/COc1ccccc1 34338679 572075437 /nfs/dbraw/zinc/07/54/37/572075437.db2.gz ZZYZSMNYUADCKV-AATRIKPKSA-N 0 0 176.215 2.211 10 30 AEEERN O=C1C=C[C@@H](Cc2ccccc2)C1 34335323 572075442 /nfs/dbraw/zinc/07/54/42/572075442.db2.gz RWOFQVPCPLHJDG-NSHDSACASA-N 0 0 172.227 2.374 10 30 AEEERN C[C@H]1CCOC(Nc2ccccc2)=N1 34349249 572075447 /nfs/dbraw/zinc/07/54/47/572075447.db2.gz AJQUCTSZSFHWAP-VIFPVBQESA-N 0 0 190.246 2.073 10 30 AEEERN O=C1C=C[C@H](Cc2ccccc2)C1 34335321 572075545 /nfs/dbraw/zinc/07/55/45/572075545.db2.gz RWOFQVPCPLHJDG-LLVKDONJSA-N 0 0 172.227 2.374 10 30 AEEERN C[C@@H]1CCOC(Nc2ccccc2)=N1 34349248 572075604 /nfs/dbraw/zinc/07/56/04/572075604.db2.gz AJQUCTSZSFHWAP-SECBINFHSA-N 0 0 190.246 2.073 10 30 AEEERN CC(N)=CC(=O)c1ccc(C)cc1 34337737 572075647 /nfs/dbraw/zinc/07/56/47/572075647.db2.gz HBKJOBYIQMXNLQ-VQHVLOKHSA-N 0 0 175.231 2.040 10 30 AEEERN C=CC[C@H](CO)[C@H]1CCC[C@@H](OC)C1 686325158 572075674 /nfs/dbraw/zinc/07/56/74/572075674.db2.gz XVKZFPDSGFUCQO-QJPTWQEYSA-N 0 0 198.306 2.376 10 30 AEEERN Cc1c(O)cccc1OCCCC#N 36896611 572075700 /nfs/dbraw/zinc/07/57/00/572075700.db2.gz UYAAVEAKTOROKI-UHFFFAOYSA-N 0 0 191.230 2.383 10 30 AEEERN C[C@H](CC=O)COCc1ccccc1 34337920 572075701 /nfs/dbraw/zinc/07/57/01/572075701.db2.gz NCJNVNMUNXTXRP-LLVKDONJSA-N 0 0 192.258 2.428 10 30 AEEERN CC(C)N[C@@H](C#N)Cc1ccccc1 36924745 572075927 /nfs/dbraw/zinc/07/59/27/572075927.db2.gz GWIMXXNMMSUUOP-GFCCVEGCSA-N 0 0 188.274 2.119 10 30 AEEERN N#CCOc1ccc2ccc(O)cc2c1 36897071 572075960 /nfs/dbraw/zinc/07/59/60/572075960.db2.gz OPWMCNRLCKGSLB-UHFFFAOYSA-N 0 0 199.209 2.448 10 30 AEEERN CCC(CC)[C@H](C)NC(=O)[C@@H](C)C#N 82633123 572075985 /nfs/dbraw/zinc/07/59/85/572075985.db2.gz UQYKPIWIVLQJNE-IUCAKERBSA-N 0 0 196.294 2.087 10 30 AEEERN CCC(CC)[C@H](C)N[C@H](C)C#N 82632018 572076072 /nfs/dbraw/zinc/07/60/72/572076072.db2.gz QFPKLGWCZJJKFT-BDAKNGLRSA-N 0 0 168.284 2.313 10 30 AEEERN CCC(CC)[C@H](C)N[C@@H](C)C#N 82632014 572076093 /nfs/dbraw/zinc/07/60/93/572076093.db2.gz QFPKLGWCZJJKFT-IUCAKERBSA-N 0 0 168.284 2.313 10 30 AEEERN COCCCS[C@@H](C)CC#N 82629596 572076149 /nfs/dbraw/zinc/07/61/49/572076149.db2.gz SXLZVIRVZKXEOJ-QMMMGPOBSA-N 0 0 173.281 2.058 10 30 AEEERN COCCCS[C@H](C)CC#N 82629597 572076175 /nfs/dbraw/zinc/07/61/75/572076175.db2.gz SXLZVIRVZKXEOJ-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN C=C(C)CONCc1occc1C 400909157 572076223 /nfs/dbraw/zinc/07/62/23/572076223.db2.gz YRMDBMLRBGODAJ-UHFFFAOYSA-N 0 0 181.235 2.185 10 30 AEEERN COCCCS[C@H]1CCC[C@@H]1C#N 82629593 572076387 /nfs/dbraw/zinc/07/63/87/572076387.db2.gz ZSYKYWSHBHYORS-ZJUUUORDSA-N 0 0 199.319 2.448 10 30 AEEERN CCC(CC)[C@@H](C)N[C@H](C)C#N 82632015 572076483 /nfs/dbraw/zinc/07/64/83/572076483.db2.gz QFPKLGWCZJJKFT-RKDXNWHRSA-N 0 0 168.284 2.313 10 30 AEEERN COCCCS[C@@H]1CCC[C@@H]1C#N 82629592 572076525 /nfs/dbraw/zinc/07/65/25/572076525.db2.gz ZSYKYWSHBHYORS-NXEZZACHSA-N 0 0 199.319 2.448 10 30 AEEERN CCC(CC)[C@H](C)NC(=O)[C@H](C)C#N 82633126 572076576 /nfs/dbraw/zinc/07/65/76/572076576.db2.gz UQYKPIWIVLQJNE-BDAKNGLRSA-N 0 0 196.294 2.087 10 30 AEEERN CCC(CC)[C@@H](C)N[C@@H](C)C#N 82632013 572076586 /nfs/dbraw/zinc/07/65/86/572076586.db2.gz QFPKLGWCZJJKFT-DTWKUNHWSA-N 0 0 168.284 2.313 10 30 AEEERN CC[C@H](C#N)SCCCOC 82629599 572076867 /nfs/dbraw/zinc/07/68/67/572076867.db2.gz HQQVSIQXWDFXFM-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN C[C@@H](CC=O)[C@H]1CC[C@@H](C)C(=O)C1 34375122 572076797 /nfs/dbraw/zinc/07/67/97/572076797.db2.gz MAIOSSGRIUGCSS-AEJSXWLSSA-N 0 0 182.263 2.217 10 30 AEEERN CC[C@@H](CC#N)SCCCOC 82629607 572076900 /nfs/dbraw/zinc/07/69/00/572076900.db2.gz NVVGQKJHSLNQSF-VIFPVBQESA-N 0 0 187.308 2.448 10 30 AEEERN CC1(C)c2ccc(C#N)cc2[C@@H]2O[C@@H]21 34406243 572076985 /nfs/dbraw/zinc/07/69/85/572076985.db2.gz YAJUCCJTUDCORR-QWRGUYRKSA-N 0 0 185.226 2.289 10 30 AEEERN C[C@H](CC(=O)NCCC#N)C(C)(C)C 82628304 572077115 /nfs/dbraw/zinc/07/71/15/572077115.db2.gz KMOSJJOMEMFGGJ-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN COCCCS[C@H]1CCC[C@H]1C#N 82629595 572077155 /nfs/dbraw/zinc/07/71/55/572077155.db2.gz ZSYKYWSHBHYORS-UWVGGRQHSA-N 0 0 199.319 2.448 10 30 AEEERN CCC1C[C@@H](CC)C(=O)C1=O 34405353 572077238 /nfs/dbraw/zinc/07/72/38/572077238.db2.gz VEUSPOXSUZZJQH-ZCFIWIBFSA-N 0 0 154.209 2.208 10 30 AEEERN C[C@@H](CC=O)[C@@H]1CC[C@@H](C)C(=O)C1 34375125 572077368 /nfs/dbraw/zinc/07/73/68/572077368.db2.gz MAIOSSGRIUGCSS-IVZWLZJFSA-N 0 0 182.263 2.217 10 30 AEEERN COCCCS[C@@H]1CCC[C@H]1C#N 82629594 572077373 /nfs/dbraw/zinc/07/73/73/572077373.db2.gz ZSYKYWSHBHYORS-VHSXEESVSA-N 0 0 199.319 2.448 10 30 AEEERN CCC(CC)[C@@H](C)NC(=O)[C@@H](C)C#N 82633121 572077388 /nfs/dbraw/zinc/07/73/88/572077388.db2.gz UQYKPIWIVLQJNE-DTWKUNHWSA-N 0 0 196.294 2.087 10 30 AEEERN CCC(CC)[C@@H](C)NC(=O)[C@H](C)C#N 82633124 572077593 /nfs/dbraw/zinc/07/75/93/572077593.db2.gz UQYKPIWIVLQJNE-RKDXNWHRSA-N 0 0 196.294 2.087 10 30 AEEERN CC1=C(C)C(=O)C(C)(C)C1 34370395 572077623 /nfs/dbraw/zinc/07/76/23/572077623.db2.gz FYDYTXLWBFWFBW-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H](CC(=O)NCCC#N)C(C)(C)C 82628303 572077711 /nfs/dbraw/zinc/07/77/11/572077711.db2.gz KMOSJJOMEMFGGJ-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@@H](C#N)SCCCOC 82629598 572077781 /nfs/dbraw/zinc/07/77/81/572077781.db2.gz HQQVSIQXWDFXFM-QMMMGPOBSA-N 0 0 173.281 2.058 10 30 AEEERN CC(C)(C#N)c1ccc(C#N)cc1 34380739 572077793 /nfs/dbraw/zinc/07/77/93/572077793.db2.gz QDLUQXLPJHXNIH-UHFFFAOYSA-N 0 0 170.215 2.359 10 30 AEEERN Cc1cccc2c(C#N)cn(C)c12 34370441 572077833 /nfs/dbraw/zinc/07/78/33/572077833.db2.gz PZFXFRLDKDWZRR-UHFFFAOYSA-N 0 0 170.215 2.358 10 30 AEEERN [N-]=[N+]=Nc1cc(CO)cnc1Cl 34414144 572078192 /nfs/dbraw/zinc/07/81/92/572078192.db2.gz GCEDRSRXIMQECP-UHFFFAOYSA-N 0 0 184.586 2.169 10 30 AEEERN COc1ccc2ccn(CC#N)c2c1 34414233 572078245 /nfs/dbraw/zinc/07/82/45/572078245.db2.gz XSWDXZWEKXFGDY-UHFFFAOYSA-N 0 0 186.214 2.173 10 30 AEEERN CC1(C)CC(=O)CC[C@@]1(C)CC=O 34408358 572079226 /nfs/dbraw/zinc/07/92/26/572079226.db2.gz OAXCULGOVJBSHE-NSHDSACASA-N 0 0 182.263 2.361 10 30 AEEERN CC[C@H](CC#N)Sc1nncs1 36987413 572078476 /nfs/dbraw/zinc/07/84/76/572078476.db2.gz QEPXHGOKLSSPCF-ZCFIWIBFSA-N 0 0 199.304 2.322 10 30 AEEERN CC[C@@H](CC#N)Sc1nncs1 36987412 572078731 /nfs/dbraw/zinc/07/87/31/572078731.db2.gz QEPXHGOKLSSPCF-LURJTMIESA-N 0 0 199.304 2.322 10 30 AEEERN CC1=C(C)C(=O)[C@@](C)(CCCO)CC1 34414977 572079113 /nfs/dbraw/zinc/07/91/13/572079113.db2.gz PFDQJJXNQMRILU-LBPRGKRZSA-N 0 0 196.290 2.465 10 30 AEEERN O=C1C=C[C@@]2(F)CCCCC2=C1 34410291 572079356 /nfs/dbraw/zinc/07/93/56/572079356.db2.gz SSYZGCWMCVRBLG-JTQLQIEISA-N 0 0 166.195 2.334 10 30 AEEERN CC1(C)C(=O)c2ccccc2[C@H]2O[C@H]21 34412564 572079422 /nfs/dbraw/zinc/07/94/22/572079422.db2.gz BFPSZGLTUNHXAE-MWLCHTKSSA-N 0 0 188.226 2.349 10 30 AEEERN CN(C)/N=C/c1cc2ccccc2o1 34412438 572079448 /nfs/dbraw/zinc/07/94/48/572079448.db2.gz INAYUGDPFOFJBE-XYOKQWHBSA-N 0 0 188.230 2.328 10 30 AEEERN CC1(C)C(=O)c2ccccc2[C@@H]2O[C@@H]21 34412563 572079493 /nfs/dbraw/zinc/07/94/93/572079493.db2.gz BFPSZGLTUNHXAE-ONGXEEELSA-N 0 0 188.226 2.349 10 30 AEEERN CCC(=NNC(C)=N)c1ccccc1 34414491 572079692 /nfs/dbraw/zinc/07/96/92/572079692.db2.gz CFSVGMWHFUDFQU-KAMYIIQDSA-N 0 0 189.262 2.178 10 30 AEEERN Cc1ccsc1CN[C@@H](C)CC#N 82666502 572079734 /nfs/dbraw/zinc/07/97/34/572079734.db2.gz GBCTUQDXLOUBLP-VIFPVBQESA-N 0 0 194.303 2.448 10 30 AEEERN C=C=CC(=O)c1ccc(C=O)cc1 34413547 572079841 /nfs/dbraw/zinc/07/98/41/572079841.db2.gz NPGNKUTXNAKQET-UHFFFAOYSA-N 0 0 172.183 2.023 10 30 AEEERN CC1(C)CC(=O)CC[C@]1(C)CC=O 34408359 572080055 /nfs/dbraw/zinc/08/00/55/572080055.db2.gz OAXCULGOVJBSHE-LLVKDONJSA-N 0 0 182.263 2.361 10 30 AEEERN C/C(=C/Cl)CC#N 165334195 572080072 /nfs/dbraw/zinc/08/00/72/572080072.db2.gz LJHUYOFQIJNGFA-PLNGDYQASA-N 0 0 115.563 2.043 10 30 AEEERN CC1=CC(=O)c2ccccc21 34413766 572080092 /nfs/dbraw/zinc/08/00/92/572080092.db2.gz VKZFVWRUFMYKGF-UHFFFAOYSA-N 0 0 144.173 2.286 10 30 AEEERN O=CC[C@@H]1C=C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 34413662 572080106 /nfs/dbraw/zinc/08/01/06/572080106.db2.gz DWFGDTFUXILVTH-KZZRWZIVSA-N 0 0 174.243 2.200 10 30 AEEERN N#CCC(C1CC1)C1CC1 34448180 572080989 /nfs/dbraw/zinc/08/09/89/572080989.db2.gz BHOUAJKNEMMXQW-UHFFFAOYSA-N 0 0 135.210 2.336 10 30 AEEERN N#C[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1 34423342 572081109 /nfs/dbraw/zinc/08/11/09/572081109.db2.gz ALDSSKWMQOPDCE-AXFHLTTASA-N 0 0 178.279 2.198 10 30 AEEERN C[C@H](C#N)OC(=O)Nc1ccccc1 16891952 572081455 /nfs/dbraw/zinc/08/14/55/572081455.db2.gz GCFKEACPZZUAMD-MRVPVSSYSA-N 0 0 190.202 2.147 10 30 AEEERN C=C[C@H](C)Nc1ccnc2cnccc12 334360708 572081534 /nfs/dbraw/zinc/08/15/34/572081534.db2.gz ZQXJGXQRAWZGQT-VIFPVBQESA-N 0 0 199.257 2.038 10 30 AEEERN O=C[C@@H]1C[C@@]12CCc1ccccc1C2 34449833 572081543 /nfs/dbraw/zinc/08/15/43/572081543.db2.gz ROYJACXUIHDWRW-STQMWFEESA-N 0 0 186.254 2.381 10 30 AEEERN CC1=C(C)C(=O)C[C@@H](C)C1 34437037 572081567 /nfs/dbraw/zinc/08/15/67/572081567.db2.gz XHYFFMGBVJVVHR-LURJTMIESA-N 0 0 138.210 2.322 10 30 AEEERN C=C[C@@H](C)Nc1ccnc2cnccc12 334360707 572082671 /nfs/dbraw/zinc/08/26/71/572082671.db2.gz ZQXJGXQRAWZGQT-SECBINFHSA-N 0 0 199.257 2.038 10 30 AEEERN O=C[C@H]1C[C@]12CCc1ccccc1C2 34449826 572081707 /nfs/dbraw/zinc/08/17/07/572081707.db2.gz ROYJACXUIHDWRW-CHWSQXEVSA-N 0 0 186.254 2.381 10 30 AEEERN O=C[C@@H]1C[C@]12CCc1ccccc1C2 34449830 572081805 /nfs/dbraw/zinc/08/18/05/572081805.db2.gz ROYJACXUIHDWRW-QWHCGFSZSA-N 0 0 186.254 2.381 10 30 AEEERN CC1=C(C)C(=O)C[C@H](C)C1 34437035 572081833 /nfs/dbraw/zinc/08/18/33/572081833.db2.gz XHYFFMGBVJVVHR-ZCFIWIBFSA-N 0 0 138.210 2.322 10 30 AEEERN C#CCCCC(=O)[C@@H]1CCO[C@@H]1CC 234114075 572082093 /nfs/dbraw/zinc/08/20/93/572082093.db2.gz ITKBPWTUSLXVMI-CMPLNLGQSA-N 0 0 194.274 2.174 10 30 AEEERN C#CCC[C@@H](O)C(CC)CC 82676774 572082247 /nfs/dbraw/zinc/08/22/47/572082247.db2.gz UOXCHIUXUNTCEH-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN O=C[C@H]1C[C@@]12CCc1ccccc1C2 34449828 572082261 /nfs/dbraw/zinc/08/22/61/572082261.db2.gz ROYJACXUIHDWRW-OLZOCXBDSA-N 0 0 186.254 2.381 10 30 AEEERN C#CCC[C@H](O)C(CC)CC 82676776 572082346 /nfs/dbraw/zinc/08/23/46/572082346.db2.gz UOXCHIUXUNTCEH-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C#CCC[C@@H](O)c1ccc(CC)o1 82677613 572082510 /nfs/dbraw/zinc/08/25/10/572082510.db2.gz KSQZWAUUWXTRBN-SNVBAGLBSA-N 0 0 178.231 2.289 10 30 AEEERN C#CC[C@H](O)c1ccccc1OCC 82675486 572082690 /nfs/dbraw/zinc/08/26/90/572082690.db2.gz IGMBYCXOHQGNSH-NSHDSACASA-N 0 0 190.242 2.142 10 30 AEEERN C=CC/C(=C\Br)CCO 34450155 572082854 /nfs/dbraw/zinc/08/28/54/572082854.db2.gz SNCJXYBIUNTQAO-VOTSOKGWSA-N 0 0 191.068 2.224 10 30 AEEERN CC1=C(C)C(C)(C)CC1=O 34467122 572082906 /nfs/dbraw/zinc/08/29/06/572082906.db2.gz BHWSUESVZDAOGN-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN Oc1cc(CS)cc(CS)c1 34475848 572083002 /nfs/dbraw/zinc/08/30/02/572083002.db2.gz CBWANJMLHTZHHR-UHFFFAOYSA-N 0 0 186.301 2.252 10 30 AEEERN N#CC[C@H]1CCC[C@@]12CCCC2=O 34455047 572083078 /nfs/dbraw/zinc/08/30/78/572083078.db2.gz BHWYTOYOQYUWOI-MWLCHTKSSA-N 0 0 177.247 2.440 10 30 AEEERN CCCNc1cccc(OCC#N)c1 37069727 572083091 /nfs/dbraw/zinc/08/30/91/572083091.db2.gz IZNKWCGBJPMMPB-UHFFFAOYSA-N 0 0 190.246 2.411 10 30 AEEERN C/C=C/C(=O)C1=CCC[C@H](C)O1 34454934 572083143 /nfs/dbraw/zinc/08/31/43/572083143.db2.gz XRZDJXMSDOMTDO-WGAJWPLOSA-N 0 0 166.220 2.214 10 30 AEEERN C=CCCOCc1ccnc(C#N)c1 82668862 572083162 /nfs/dbraw/zinc/08/31/62/572083162.db2.gz SNPIYXJJRGSDRW-UHFFFAOYSA-N 0 0 188.230 2.046 10 30 AEEERN C=C(C)[C@@H]1CC=CC(=O)C1 34454803 572083322 /nfs/dbraw/zinc/08/33/22/572083322.db2.gz KSEXSUIUOJGHPX-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 in-vitro AEEERN O=CCC/C=C\C=C\Br 34449990 572083491 /nfs/dbraw/zinc/08/34/91/572083491.db2.gz DWDCGCDVZXVWDW-GEZXTYQDSA-N 0 0 189.052 2.430 10 30 AEEERN CO[C@H](C#CC1CCCCC1)CC=O 34455280 572083495 /nfs/dbraw/zinc/08/34/95/572083495.db2.gz SCBLDHRQIYROFM-GFCCVEGCSA-N 0 0 194.274 2.174 10 30 AEEERN C#CC[C@@H](O)c1ccccc1OCC 82675485 572083556 /nfs/dbraw/zinc/08/35/56/572083556.db2.gz IGMBYCXOHQGNSH-LLVKDONJSA-N 0 0 190.242 2.142 10 30 AEEERN CC1=C(Br)CCC1=O 34455032 572083940 /nfs/dbraw/zinc/08/39/40/572083940.db2.gz GXCPEPROSRBVHU-UHFFFAOYSA-N 0 0 175.025 2.018 10 30 AEEERN O=CC12CCCC1CCC2 34467441 572083759 /nfs/dbraw/zinc/08/37/59/572083759.db2.gz HJZNSVIKKJIXCR-UHFFFAOYSA-N 0 0 138.210 2.156 10 30 AEEERN C#CCC[C@H](O)c1ccc(CC)o1 82677616 572083760 /nfs/dbraw/zinc/08/37/60/572083760.db2.gz KSQZWAUUWXTRBN-JTQLQIEISA-N 0 0 178.231 2.289 10 30 AEEERN CC1=CC(=O)[C@](C)(c2ccccc2)O1 34463739 572083775 /nfs/dbraw/zinc/08/37/75/572083775.db2.gz VLVRWYWSWZZGKT-LBPRGKRZSA-N 0 0 188.226 2.405 10 30 AEEERN CC1=CC(=O)[C@@](C)(c2ccccc2)O1 34463738 572083829 /nfs/dbraw/zinc/08/38/29/572083829.db2.gz VLVRWYWSWZZGKT-GFCCVEGCSA-N 0 0 188.226 2.405 10 30 AEEERN N#CC[C@H]1CCC[C@]12CCCC2=O 34455049 572083854 /nfs/dbraw/zinc/08/38/54/572083854.db2.gz BHWYTOYOQYUWOI-KOLCDFICSA-N 0 0 177.247 2.440 10 30 AEEERN CO[C@@H](C#CC1CCCCC1)CC=O 34455281 572083906 /nfs/dbraw/zinc/08/39/06/572083906.db2.gz SCBLDHRQIYROFM-LBPRGKRZSA-N 0 0 194.274 2.174 10 30 AEEERN C[C@@H]1CCc2cc(F)c(C#N)cc2N1 34477895 572084044 /nfs/dbraw/zinc/08/40/44/572084044.db2.gz MNWCGBHDDUTUFU-SSDOTTSWSA-N 0 0 190.221 2.444 10 30 AEEERN N#CC[C@@H]1CCC[C@]12CCCC2=O 34455050 572084187 /nfs/dbraw/zinc/08/41/87/572084187.db2.gz BHWYTOYOQYUWOI-ONGXEEELSA-N 0 0 177.247 2.440 10 30 AEEERN Cc1ccsc1CS 34469132 572084137 /nfs/dbraw/zinc/08/41/37/572084137.db2.gz SOQJSJRXHJTTOH-UHFFFAOYSA-N 0 0 144.264 2.486 10 30 AEEERN N#CC12C[C@@H]3C[C@H](C1)CC(C=O)(C3)C2 34455205 572084422 /nfs/dbraw/zinc/08/44/22/572084422.db2.gz FGPMNAZLZRAANV-ZYANWLCNSA-N 0 0 189.258 2.295 10 30 AEEERN N#CC[C@@H]1CCC[C@@]12CCCC2=O 34455048 572084491 /nfs/dbraw/zinc/08/44/91/572084491.db2.gz BHWYTOYOQYUWOI-GXSJLCMTSA-N 0 0 177.247 2.440 10 30 AEEERN C#CCC[C@H](O)[C@H](C)CCC 82679872 572084551 /nfs/dbraw/zinc/08/45/51/572084551.db2.gz OFUXCAQLTAFCPV-ZJUUUORDSA-N 0 0 154.253 2.197 10 30 AEEERN [N-]=[N+]=Nc1n[nH]nc1-c1ccccc1 34479972 572085432 /nfs/dbraw/zinc/08/54/32/572085432.db2.gz IPTSXABYDDPLIG-UHFFFAOYSA-N 0 0 186.178 2.414 10 30 AEEERN C#CCC[C@H](O)[C@@H](C)CCC 82679873 572085576 /nfs/dbraw/zinc/08/55/76/572085576.db2.gz OFUXCAQLTAFCPV-UWVGGRQHSA-N 0 0 154.253 2.197 10 30 AEEERN C#CCC[C@@H](O)[C@@H](C)CCC 82679871 572085690 /nfs/dbraw/zinc/08/56/90/572085690.db2.gz OFUXCAQLTAFCPV-VHSXEESVSA-N 0 0 154.253 2.197 10 30 AEEERN C#CCC[C@@H](O)[C@H](C)CCC 82679870 572085723 /nfs/dbraw/zinc/08/57/23/572085723.db2.gz OFUXCAQLTAFCPV-NXEZZACHSA-N 0 0 154.253 2.197 10 30 AEEERN CC(C)=C1OC(C)(C)CC1=O 34478815 572085864 /nfs/dbraw/zinc/08/58/64/572085864.db2.gz BWLNVCXJAKZETQ-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C#CC[C@@H](O)c1ccnc2ccccc12 82681617 572085981 /nfs/dbraw/zinc/08/59/81/572085981.db2.gz BEXZVACRXLAAAC-CYBMUJFWSA-N 0 0 197.237 2.292 10 30 AEEERN N#CCC1(CC#N)CC=CC1 34492165 572085931 /nfs/dbraw/zinc/08/59/31/572085931.db2.gz WXPMXXCSTUGPKV-UHFFFAOYSA-N 0 0 146.193 2.150 10 30 AEEERN C#CC[C@H](O)c1ccnc2ccccc12 82681616 572086016 /nfs/dbraw/zinc/08/60/16/572086016.db2.gz BEXZVACRXLAAAC-ZDUSSCGKSA-N 0 0 197.237 2.292 10 30 AEEERN C=C(C)C#CC1=CCCCC1=O 34478979 572086118 /nfs/dbraw/zinc/08/61/18/572086118.db2.gz STXFCAFJPUMXSJ-UHFFFAOYSA-N 0 0 160.216 2.245 10 30 AEEERN Cc1cc(OC2CC2)nc(C)c1C#N 713211378 572086340 /nfs/dbraw/zinc/08/63/40/572086340.db2.gz OXZAOFIRFRNFFX-UHFFFAOYSA-N 0 0 188.230 2.111 10 30 AEEERN O=C1C=CC=C(Cl)CC1 34492078 572086518 /nfs/dbraw/zinc/08/65/18/572086518.db2.gz NMCYKCNGJUKVHW-UHFFFAOYSA-N 0 0 142.585 2.028 10 30 AEEERN Cc1cc2c(C#N)nccc2o1 34478944 572086824 /nfs/dbraw/zinc/08/68/24/572086824.db2.gz PYCPLAKZHMDWCE-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN Cc1c(/C=N/O)n(C)c2ccccc12 34480098 572086856 /nfs/dbraw/zinc/08/68/56/572086856.db2.gz ZFDCEFYGUDTGLI-KPKJPENVSA-N 0 0 188.230 2.295 10 30 AEEERN CCCC[C@H](CC)C[C@H](O)C=O 84991029 572087279 /nfs/dbraw/zinc/08/72/79/572087279.db2.gz WMBZXBLFVGFCIU-UWVGGRQHSA-N 0 0 172.268 2.153 10 30 AEEERN C[C@@H]1CCC[C@H]1CC#N 145876422 572087521 /nfs/dbraw/zinc/08/75/21/572087521.db2.gz VGSAPFZMBQTQGA-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@@]12CC[C@@](C)(C=CC1=O)C2 34513131 572087680 /nfs/dbraw/zinc/08/76/80/572087680.db2.gz KMQZNVDZICLKBO-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN CCCC[C@@H](CC)C[C@H](O)C=O 84991028 572088549 /nfs/dbraw/zinc/08/85/49/572088549.db2.gz WMBZXBLFVGFCIU-ZJUUUORDSA-N 0 0 172.268 2.153 10 30 AEEERN C=C[C@@]12CC[C@@H](C=CC1=O)C2 34513141 572089002 /nfs/dbraw/zinc/08/90/02/572089002.db2.gz FXZAUDSWOZBFIR-SCZZXKLOSA-N 0 0 148.205 2.098 10 30 AEEERN C[C@H]1CCC[C@H]1CC#N 145876702 572089132 /nfs/dbraw/zinc/08/91/32/572089132.db2.gz VGSAPFZMBQTQGA-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN CCCC[C@H](CC)C[C@@H](O)C=O 84991033 572089167 /nfs/dbraw/zinc/08/91/67/572089167.db2.gz WMBZXBLFVGFCIU-VHSXEESVSA-N 0 0 172.268 2.153 10 30 AEEERN CC(C)C(C)(C)C[C@H](C#N)CO 713211487 572089232 /nfs/dbraw/zinc/08/92/32/572089232.db2.gz QRQDLDUFPZTMCU-SECBINFHSA-N 0 0 169.268 2.191 10 30 AEEERN CCCC[C@@H](CC)C[C@@H](O)C=O 84991031 572089331 /nfs/dbraw/zinc/08/93/31/572089331.db2.gz WMBZXBLFVGFCIU-NXEZZACHSA-N 0 0 172.268 2.153 10 30 AEEERN CC(C)C(C)(C)C[C@@H](C#N)CO 713211488 572089676 /nfs/dbraw/zinc/08/96/76/572089676.db2.gz QRQDLDUFPZTMCU-VIFPVBQESA-N 0 0 169.268 2.191 10 30 AEEERN CC(C)C[C@@H](O)C1=CCCCC1=O 34534243 572089799 /nfs/dbraw/zinc/08/97/99/572089799.db2.gz OYJICWGXDDIEBE-LLVKDONJSA-N 0 0 182.263 2.073 10 30 AEEERN CC[C@@](C)(C#N)[C@@](C)(O)C(C)(C)OC 300934441 572090040 /nfs/dbraw/zinc/09/00/40/572090040.db2.gz FVBLNJWCHPGVMA-QWRGUYRKSA-N 0 0 199.294 2.102 10 30 AEEERN C=C(C)[C@H]1CC2=C(CCCC2=O)O1 34519104 572090313 /nfs/dbraw/zinc/09/03/13/572090313.db2.gz HKXZQNALGZBHDT-LLVKDONJSA-N 0 0 178.231 2.359 10 30 AEEERN CCCCOc1cc(C#N)ccn1 37093556 572090458 /nfs/dbraw/zinc/09/04/58/572090458.db2.gz XEWISNDJJOWTOP-UHFFFAOYSA-N 0 0 176.219 2.132 10 30 AEEERN CC[C@@](C)(C#N)[C@](C)(O)C(C)(C)OC 300934443 572090526 /nfs/dbraw/zinc/09/05/26/572090526.db2.gz FVBLNJWCHPGVMA-WDEREUQCSA-N 0 0 199.294 2.102 10 30 AEEERN C[C@@H]1CC[C@@H](C(C)(C)S)[C@H](O)C1 34534405 572090537 /nfs/dbraw/zinc/09/05/37/572090537.db2.gz BQQNGLUIXGYKQB-IWSPIJDZSA-N 0 0 188.336 2.492 10 30 AEEERN CCCCOc1ncccc1C#N 37093554 572090731 /nfs/dbraw/zinc/09/07/31/572090731.db2.gz SKTTVYAKWUCGBI-UHFFFAOYSA-N 0 0 176.219 2.132 10 30 AEEERN CC(C)C[C@H](O)C1=CCCCC1=O 34534242 572090799 /nfs/dbraw/zinc/09/07/99/572090799.db2.gz OYJICWGXDDIEBE-NSHDSACASA-N 0 0 182.263 2.073 10 30 AEEERN CC[C@](C)(C#N)[C@](C)(O)C(C)(C)OC 300934439 572090859 /nfs/dbraw/zinc/09/08/59/572090859.db2.gz FVBLNJWCHPGVMA-GHMZBOCLSA-N 0 0 199.294 2.102 10 30 AEEERN Cc1cc(N=[N+]=[N-])c(C=O)o1 34540269 572090948 /nfs/dbraw/zinc/09/09/48/572090948.db2.gz NLBKCUQAXFRPIC-UHFFFAOYSA-N 0 0 151.125 2.342 10 30 AEEERN CO/N=C(\CCl)C1CCCC1 34519076 572091434 /nfs/dbraw/zinc/09/14/34/572091434.db2.gz PEPSMMKKMKQPBG-CSKARUKUSA-N 0 0 175.659 2.418 10 30 AEEERN C=C[C@@H]1CCCS1 79456863 572091501 /nfs/dbraw/zinc/09/15/01/572091501.db2.gz YQGVJKSRGWEXGU-ZCFIWIBFSA-N 0 0 114.213 2.068 10 30 AEEERN CC(C)C(C)(C)C#N 34539566 572091513 /nfs/dbraw/zinc/09/15/13/572091513.db2.gz OOJGIODFNBVSRF-UHFFFAOYSA-N 0 0 111.188 2.192 10 30 AEEERN C=CCCCO[C@H](C)[C@H](O)CC 402253578 572091633 /nfs/dbraw/zinc/09/16/33/572091633.db2.gz GXSRVEXRSWTQCH-NXEZZACHSA-N 0 0 172.268 2.129 10 30 AEEERN C=C(C)[C@@H]1CC2=C(CCCC2=O)O1 34519103 572091678 /nfs/dbraw/zinc/09/16/78/572091678.db2.gz HKXZQNALGZBHDT-NSHDSACASA-N 0 0 178.231 2.359 10 30 AEEERN C=C1CC(=O)C(C)=C1CC 34550091 572092056 /nfs/dbraw/zinc/09/20/56/572092056.db2.gz WDSDTKBUBPMQLG-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CCCCS[C@H](C)CC=O 34545687 572092225 /nfs/dbraw/zinc/09/22/25/572092225.db2.gz DNALOADTLFAEHE-MRVPVSSYSA-N 0 0 160.282 2.497 10 30 AEEERN CC(C)c1ccccc(=O)c1 34551169 572092235 /nfs/dbraw/zinc/09/22/35/572092235.db2.gz RMVSREXDOYNBPM-UHFFFAOYSA-N 0 0 148.205 2.408 10 30 AEEERN CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C#N)C1 235126117 572092564 /nfs/dbraw/zinc/09/25/64/572092564.db2.gz KHJFCCNGBFKUGH-IVZWLZJFSA-N 0 0 198.335 2.020 10 30 AEEERN CCCC1=C(C)CCC1=O 34545591 572093160 /nfs/dbraw/zinc/09/31/60/572093160.db2.gz IAGSPEBQNJDWDZ-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CCc1ccc([C@@](C)(O)CC=O)cc1 84995908 572093237 /nfs/dbraw/zinc/09/32/37/572093237.db2.gz USTFLLMUPRPNAX-LBPRGKRZSA-N 0 0 192.258 2.046 10 30 AEEERN CCCCS[C@@H](C)CC=O 34545686 572093376 /nfs/dbraw/zinc/09/33/76/572093376.db2.gz DNALOADTLFAEHE-QMMMGPOBSA-N 0 0 160.282 2.497 10 30 AEEERN COc1nnc(Cl)cc1N=[N+]=[N-] 34540903 572093489 /nfs/dbraw/zinc/09/34/89/572093489.db2.gz JNFOTACWAJKCJA-UHFFFAOYSA-N 0 0 185.574 2.080 10 30 AEEERN CCc1ccc([C@](C)(O)CC=O)cc1 84995906 572093823 /nfs/dbraw/zinc/09/38/23/572093823.db2.gz USTFLLMUPRPNAX-GFCCVEGCSA-N 0 0 192.258 2.046 10 30 AEEERN CCC[C@@H](C)C[C@@](C)(O)CC=O 84996395 572094107 /nfs/dbraw/zinc/09/41/07/572094107.db2.gz DXDXQIJMHVUMSB-ZJUUUORDSA-N 0 0 172.268 2.153 10 30 AEEERN CCCCCC[C@@](C)(O)CC=O 84996387 572094111 /nfs/dbraw/zinc/09/41/11/572094111.db2.gz SUFLNARFWHSBLI-SNVBAGLBSA-N 0 0 172.268 2.297 10 30 AEEERN C[C@@](O)(CC=O)CCc1cccs1 84996153 572094157 /nfs/dbraw/zinc/09/41/57/572094157.db2.gz SKJRKTRZOCDIEP-JTQLQIEISA-N 0 0 198.287 2.021 10 30 AEEERN C[C@](O)(CC=O)CCc1cccs1 84996151 572094899 /nfs/dbraw/zinc/09/48/99/572094899.db2.gz SKJRKTRZOCDIEP-SNVBAGLBSA-N 0 0 198.287 2.021 10 30 AEEERN C[C@](O)(CC=O)CCc1ccsc1 84996496 572094278 /nfs/dbraw/zinc/09/42/78/572094278.db2.gz NUVRRUUUKYPTCJ-SNVBAGLBSA-N 0 0 198.287 2.021 10 30 AEEERN CCC[C@H](C)C[C@](C)(O)CC=O 84996393 572094477 /nfs/dbraw/zinc/09/44/77/572094477.db2.gz DXDXQIJMHVUMSB-VHSXEESVSA-N 0 0 172.268 2.153 10 30 AEEERN CC(C)(C)CC[C@@](C)(O)CC=O 84996408 572094514 /nfs/dbraw/zinc/09/45/14/572094514.db2.gz HPRJXYHWATYSNC-SNVBAGLBSA-N 0 0 172.268 2.153 10 30 AEEERN C=C/C=C/C[C@H](C=C)[C@@H](C)O 60175841 572094615 /nfs/dbraw/zinc/09/46/15/572094615.db2.gz JERWPCOUNOMFQC-YJOJJWFDSA-N 0 0 152.237 2.302 10 30 AEEERN CC(C)(C)CC[C@](C)(O)CC=O 84996407 572094635 /nfs/dbraw/zinc/09/46/35/572094635.db2.gz HPRJXYHWATYSNC-JTQLQIEISA-N 0 0 172.268 2.153 10 30 AEEERN CCCCCC[C@](C)(O)CC=O 84996385 572094637 /nfs/dbraw/zinc/09/46/37/572094637.db2.gz SUFLNARFWHSBLI-JTQLQIEISA-N 0 0 172.268 2.297 10 30 AEEERN C=CC[C@@H](CO)C(C)(C)C 34573856 572094650 /nfs/dbraw/zinc/09/46/50/572094650.db2.gz HPOKASWPBXFMEK-QMMMGPOBSA-N 0 0 142.242 2.217 10 30 AEEERN C[C@@](O)(CC=O)CCc1ccsc1 84996497 572094829 /nfs/dbraw/zinc/09/48/29/572094829.db2.gz NUVRRUUUKYPTCJ-JTQLQIEISA-N 0 0 198.287 2.021 10 30 AEEERN CCC[C@H](C)C[C@@](C)(O)CC=O 84996397 572094839 /nfs/dbraw/zinc/09/48/39/572094839.db2.gz DXDXQIJMHVUMSB-UWVGGRQHSA-N 0 0 172.268 2.153 10 30 AEEERN CCC/N=C/c1ccc2c(c1)OCO2 34583302 572095526 /nfs/dbraw/zinc/09/55/26/572095526.db2.gz XXGZQPUGBAJMKL-KPKJPENVSA-N 0 0 191.230 2.244 10 30 AEEERN Cc1cc(C)c([C@H](C#N)C=O)c(C)c1 34580951 572095547 /nfs/dbraw/zinc/09/55/47/572095547.db2.gz KQEZZLOQANKDBC-LLVKDONJSA-N 0 0 187.242 2.418 10 30 AEEERN N#CCC/C=C/CCCC=O 219799752 572095568 /nfs/dbraw/zinc/09/55/68/572095568.db2.gz LPNIMUJMEJCNME-OWOJBTEDSA-N 0 0 151.209 2.216 10 30 AEEERN N#Cc1c(Cl)cncc1NC1CC1 34583338 572095622 /nfs/dbraw/zinc/09/56/22/572095622.db2.gz BSBFPKRBZHPFPS-UHFFFAOYSA-N 0 0 193.637 2.181 10 30 AEEERN C=C(CC)[C@@H](O)CCC 34582301 572096193 /nfs/dbraw/zinc/09/61/93/572096193.db2.gz UCBUYFVJWWIUEO-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN CCCCCOCCCC#N 37114292 572095709 /nfs/dbraw/zinc/09/57/09/572095709.db2.gz ZZOAMEKRRXBILI-UHFFFAOYSA-N 0 0 155.241 2.497 10 30 AEEERN N#CC(=S)Nc1cccc(F)c1 34583086 572095725 /nfs/dbraw/zinc/09/57/25/572095725.db2.gz AAJFPYPKRILZQS-UHFFFAOYSA-N 0 0 180.207 2.089 10 30 AEEERN C[C@@H](S)CNc1ccccc1 34567195 572095736 /nfs/dbraw/zinc/09/57/36/572095736.db2.gz JIJSMNXHYRRSAI-MRVPVSSYSA-N 0 0 167.277 2.417 10 30 AEEERN C[C@H]1CC(=O)C[C@]12CC[C@@H](CC=O)C2 34568384 572095767 /nfs/dbraw/zinc/09/57/67/572095767.db2.gz QSXPSFZLXIGOSL-JBLDHEPKSA-N 0 0 194.274 2.361 10 30 AEEERN C=C(C)C1=CC(C)(C)CC1=O 34566838 572095787 /nfs/dbraw/zinc/09/57/87/572095787.db2.gz QAXSAWQTRVHXJK-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C#CCCCCCCC=O 34566653 572095889 /nfs/dbraw/zinc/09/58/89/572095889.db2.gz FDUWUGBVLZWXAN-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN CCCC(=O)CC(C)(C)S 34582684 572095928 /nfs/dbraw/zinc/09/59/28/572095928.db2.gz IVWUNBJHUZIJOH-UHFFFAOYSA-N 0 0 160.282 2.454 10 30 AEEERN C[C@H](S)CNc1ccccc1 34567192 572095957 /nfs/dbraw/zinc/09/59/57/572095957.db2.gz JIJSMNXHYRRSAI-QMMMGPOBSA-N 0 0 167.277 2.417 10 30 AEEERN C=C(C)C1=CC(=O)CCC1 34566641 572095974 /nfs/dbraw/zinc/09/59/74/572095974.db2.gz UUNUZZWFOWJGBV-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C=CC1CCC(C=O)CC1 34574451 572096256 /nfs/dbraw/zinc/09/62/56/572096256.db2.gz KAEOYBJOWFUGQT-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1C(=O)CCC[C@@H]1CC 34582373 572096536 /nfs/dbraw/zinc/09/65/36/572096536.db2.gz BXDZLBBXQKADPG-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)COC(=O)/C=C\CC 219762221 572096553 /nfs/dbraw/zinc/09/65/53/572096553.db2.gz ZAWINKXEZGKTEE-WAYWQWQTSA-N 0 0 154.209 2.072 10 30 AEEERN C=C/C(C)=C/CCC=O 34566565 572096587 /nfs/dbraw/zinc/09/65/87/572096587.db2.gz QSGFNRAGUVEDCC-SOFGYWHQSA-N 0 0 124.183 2.098 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C(=O)[C@H]1CC=O 34585813 572097299 /nfs/dbraw/zinc/09/72/99/572097299.db2.gz WVSUKYLFWGILRI-MXWKQRLJSA-N 0 0 196.290 2.463 10 30 AEEERN CS/C=C(\Cl)C(C)=O 34594896 572097518 /nfs/dbraw/zinc/09/75/18/572097518.db2.gz ONGYWBTWAJIDKM-HYXAFXHYSA-N 0 0 150.630 2.019 10 30 AEEERN CC(C)[C@H]1CC[C@H](C)C(=O)[C@@H]1CC=O 34585816 572097866 /nfs/dbraw/zinc/09/78/66/572097866.db2.gz WVSUKYLFWGILRI-HBNTYKKESA-N 0 0 196.290 2.463 10 30 AEEERN O=C1CCCC2=C1[C@H]1CCC[C@@H]1O2 34589318 572098057 /nfs/dbraw/zinc/09/80/57/572098057.db2.gz LNJHGMWCNDDRDC-CBAPKCEASA-N 0 0 178.231 2.192 10 30 AEEERN CC[C@@H](C)C[C@@H](C)C=O 34596201 572098292 /nfs/dbraw/zinc/09/82/92/572098292.db2.gz MTTYIWPARUGWCA-HTQZYQBOSA-N 0 0 128.215 2.258 10 30 AEEERN N#CCc1ccc(Cl)cc1C=O 34596711 572098311 /nfs/dbraw/zinc/09/83/11/572098311.db2.gz RYWJCOQWMNIZCH-UHFFFAOYSA-N 0 0 179.606 2.219 10 30 AEEERN O=C1CCCC2=C1[C@H]1CCC[C@H]1O2 34589314 572098516 /nfs/dbraw/zinc/09/85/16/572098516.db2.gz LNJHGMWCNDDRDC-IONNQARKSA-N 0 0 178.231 2.192 10 30 AEEERN O=C1CCCC2=C1[C@@H]1CCC[C@H]1O2 34589312 572098526 /nfs/dbraw/zinc/09/85/26/572098526.db2.gz LNJHGMWCNDDRDC-VXNVDRBHSA-N 0 0 178.231 2.192 10 30 AEEERN C=CC1(c2ccccc2N)CC1 34588852 572098543 /nfs/dbraw/zinc/09/85/43/572098543.db2.gz JPVKNLGYKXOHGW-UHFFFAOYSA-N 0 0 159.232 2.486 10 30 AEEERN C/C(=N/N)[C@H]1C[C@@H]1c1ccccc1 34596636 572098884 /nfs/dbraw/zinc/09/88/84/572098884.db2.gz LYKZLDAJKIPAGA-ANVWZWGWSA-N 0 0 174.247 2.125 10 30 AEEERN CC1=NC2(C=CC(=O)C=C2)CCC1 34589247 572098897 /nfs/dbraw/zinc/09/88/97/572098897.db2.gz SWDYNZFPXSNJLQ-UHFFFAOYSA-N 0 0 175.231 2.065 10 30 AEEERN CC(C)=NOC/C=C/Cl 34617697 572099890 /nfs/dbraw/zinc/09/98/90/572099890.db2.gz CETJAMWDGXFQPB-ONEGZZNKSA-N 0 0 147.605 2.151 10 30 AEEERN Cn1cccc1[C@@H]1CCC[C@@H]1C=O 34604340 572099772 /nfs/dbraw/zinc/09/97/72/572099772.db2.gz SCEUYGYPSXRQJN-NXEZZACHSA-N 0 0 177.247 2.108 10 30 AEEERN CC1=CC(=O)C(Cl)=C[C@]1(C)F 34618240 572099801 /nfs/dbraw/zinc/09/98/01/572099801.db2.gz MJOFINUNTGXBOW-QMMMGPOBSA-N 0 0 174.602 2.366 10 30 AEEERN CC1(C)CC(=O)C2=C(C1)OCC2 34611870 572099839 /nfs/dbraw/zinc/09/98/39/572099839.db2.gz AETSREGIVUNLLI-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CC(C)=C1CC[C@@H](C)C1=O 34598944 572099873 /nfs/dbraw/zinc/09/98/73/572099873.db2.gz NIWFIJFHALTBRN-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN COc1cccc(CC[C@H](C)C=O)c1 82762948 572099916 /nfs/dbraw/zinc/09/99/16/572099916.db2.gz KVRXQYFFZGIZDG-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN CC[C@]1(C=O)COC2(CCCCC2)O1 34599764 572099937 /nfs/dbraw/zinc/09/99/37/572099937.db2.gz JGQRLEMRZJIUAB-JTQLQIEISA-N 0 0 198.262 2.041 10 30 AEEERN C=C(C(C)=O)c1ccc(OC)cc1O 34617146 572100028 /nfs/dbraw/zinc/10/00/28/572100028.db2.gz NJLVRPOARWWHHK-UHFFFAOYSA-N 0 0 192.214 2.003 10 30 AEEERN CO/C=C\C(=O)c1ccccc1 17164422 572100083 /nfs/dbraw/zinc/10/00/83/572100083.db2.gz IMHBKHIZPZRECU-FPLPWBNLSA-N 0 0 162.188 2.029 10 30 AEEERN CCOc1ccccc1C[C@H](C)C=O 82762975 572100103 /nfs/dbraw/zinc/10/01/03/572100103.db2.gz UPTFSJKTDDGAOO-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN C[C@H](C#N)CSC[C@H]1CCCO1 235131178 572100129 /nfs/dbraw/zinc/10/01/29/572100129.db2.gz HEIYNZSSWGVBRC-RKDXNWHRSA-N 0 0 185.292 2.058 10 30 AEEERN C=C(C)C[C@H](C=O)CC 34598888 572100152 /nfs/dbraw/zinc/10/01/52/572100152.db2.gz AVPKQHKVWXTZED-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN CC1=CC(=O)C(Cl)=C[C@@]1(C)F 34618238 572100157 /nfs/dbraw/zinc/10/01/57/572100157.db2.gz MJOFINUNTGXBOW-MRVPVSSYSA-N 0 0 174.602 2.366 10 30 AEEERN CC(C)=C1CC[C@H](C)C1=O 34598945 572100166 /nfs/dbraw/zinc/10/01/66/572100166.db2.gz NIWFIJFHALTBRN-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN CCC#CCC1=CCCC1=O 34599020 572100242 /nfs/dbraw/zinc/10/02/42/572100242.db2.gz JTIYMSLFEKLTQA-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN COc1ccc(C)cc1C[C@@H](C)C=O 82762806 572101234 /nfs/dbraw/zinc/10/12/34/572101234.db2.gz IPVYTNZMWBXWNQ-SNVBAGLBSA-N 0 0 192.258 2.381 10 30 AEEERN C=C(C)[C@@H](O)[C@H](C)/C=C\C 214942569 572101236 /nfs/dbraw/zinc/10/12/36/572101236.db2.gz UIRPBZZAPBWXIO-JJKLJZTJSA-N 0 0 140.226 2.136 10 30 AEEERN C[C@H](C#N)CSC[C@@H]1CCCO1 235130855 572100921 /nfs/dbraw/zinc/10/09/21/572100921.db2.gz HEIYNZSSWGVBRC-BDAKNGLRSA-N 0 0 185.292 2.058 10 30 AEEERN C=C(C)C[C@@H](C=O)CC 34598887 572100995 /nfs/dbraw/zinc/10/09/95/572100995.db2.gz AVPKQHKVWXTZED-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN COc1ccc(C)cc1C[C@H](C)C=O 82762807 572101012 /nfs/dbraw/zinc/10/10/12/572101012.db2.gz IPVYTNZMWBXWNQ-JTQLQIEISA-N 0 0 192.258 2.381 10 30 AEEERN COC1=C(Cl)C(=O)C[C@@H](C)C1 34599316 572101159 /nfs/dbraw/zinc/10/11/59/572101159.db2.gz HPQQDPABWILDLP-RXMQYKEDSA-N 0 0 174.627 2.082 10 30 AEEERN C[C@H](C=O)CCC1CCOCC1 82762879 572101183 /nfs/dbraw/zinc/10/11/83/572101183.db2.gz WQYWZLPZJQKKOZ-VIFPVBQESA-N 0 0 170.252 2.028 10 30 AEEERN CCOc1ccc(C[C@@H](C)C=O)cc1 82762778 572101532 /nfs/dbraw/zinc/10/15/32/572101532.db2.gz YTMHVQKSDNZTRY-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN COc1cccc(CC[C@@H](C)C=O)c1 82762949 572101585 /nfs/dbraw/zinc/10/15/85/572101585.db2.gz KVRXQYFFZGIZDG-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN C[C@@H](C=O)CCC1CCOCC1 82762880 572101602 /nfs/dbraw/zinc/10/16/02/572101602.db2.gz WQYWZLPZJQKKOZ-SECBINFHSA-N 0 0 170.252 2.028 10 30 AEEERN C=CC[C@@H]1C=CC(=O)CCC1 34625750 572101789 /nfs/dbraw/zinc/10/17/89/572101789.db2.gz TUDQYVPDEDOZNI-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CC(=O)CCC[C@H]1O[C@H]1C(C)C 214948752 572101881 /nfs/dbraw/zinc/10/18/81/572101881.db2.gz IRCRWGGUBXMAJG-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(C)CCO[C@@H](C)[C@@H](O)CC 402274213 572102107 /nfs/dbraw/zinc/10/21/07/572102107.db2.gz IUTJSLSCPLQVFK-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN C#C[C@H](O)[C@@H](C)CCC=C(C)C 214946738 572102162 /nfs/dbraw/zinc/10/21/62/572102162.db2.gz ILQPUDXOHIWXJY-QWRGUYRKSA-N 0 0 166.264 2.363 10 30 AEEERN CCCCC#CCCC=O 34638621 572102907 /nfs/dbraw/zinc/10/29/07/572102907.db2.gz MYFSBXJFCUTRPU-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN CCCCC[C@H](O)[C@@]1(C)O[C@H]1C 214950140 572102531 /nfs/dbraw/zinc/10/25/31/572102531.db2.gz AWHCZUOFWVADJS-GUBZILKMSA-N 0 0 172.268 2.105 10 30 AEEERN COc1ccc2[nH]c(C#N)cc2c1 34621986 572102632 /nfs/dbraw/zinc/10/26/32/572102632.db2.gz HLUIAVJOEJUQAA-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN C=C1C=CC(=O)C12CCCC2 34621690 572102712 /nfs/dbraw/zinc/10/27/12/572102712.db2.gz ANRPASRSTZAOHA-UHFFFAOYSA-N 0 0 148.205 2.242 10 30 AEEERN C[C@]12CCCC(=O)[C@H]1[C@@H](C#N)CC2 34622076 572102741 /nfs/dbraw/zinc/10/27/41/572102741.db2.gz OCSCZNXPSXYTDG-FBIMIBRVSA-N 0 0 177.247 2.295 10 30 AEEERN C=CC[C@H](C=O)OCc1ccccc1 34618780 572102841 /nfs/dbraw/zinc/10/28/41/572102841.db2.gz KWCUZEDBINCZKZ-GFCCVEGCSA-N 0 0 190.242 2.347 10 30 AEEERN CCCC[C@@H]1CC(=O)C=C(C)O1 34638657 572103241 /nfs/dbraw/zinc/10/32/41/572103241.db2.gz SZHLBOOESDHLLK-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN C=C(C)CCO[C@@H](C)[C@H](O)CC 402274215 572103159 /nfs/dbraw/zinc/10/31/59/572103159.db2.gz IUTJSLSCPLQVFK-VHSXEESVSA-N 0 0 172.268 2.129 10 30 AEEERN O=C1CCC2=C1CC=CC=C2 34621687 572103559 /nfs/dbraw/zinc/10/35/59/572103559.db2.gz WTZXPIGNWUUHGC-UHFFFAOYSA-N 0 0 146.189 2.162 10 30 AEEERN CCC[C@@H](C=O)C(C)C 34621586 572103623 /nfs/dbraw/zinc/10/36/23/572103623.db2.gz KBCJIUFFVMPKHR-QMMMGPOBSA-N 0 0 128.215 2.258 10 30 AEEERN CCOC1=CC(=O)CCCC1 34625746 572103906 /nfs/dbraw/zinc/10/39/06/572103906.db2.gz CVOGBHWKYXUUSC-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN C/C=C/C=C/CCC=O 34784778 572108161 /nfs/dbraw/zinc/10/81/61/572108161.db2.gz FUIDWNGSIAABEJ-MQQKCMAXSA-N 0 0 124.183 2.098 10 30 AEEERN CC[C@H](C)[S@@](=O)[C@@H](CC)CC#N 82788420 572111395 /nfs/dbraw/zinc/11/13/95/572111395.db2.gz XFDPFRMVSIKLNF-AUTRQRHGSA-N 0 0 187.308 2.226 10 30 AEEERN CN[C@@H](C#N)c1cc(C)c(C)cc1C 234393893 572104319 /nfs/dbraw/zinc/10/43/19/572104319.db2.gz GNGFCTXULYSODM-LBPRGKRZSA-N 0 0 188.274 2.396 10 30 AEEERN N#Cc1ccc(COC2CC2)cc1F 713215602 572104534 /nfs/dbraw/zinc/10/45/34/572104534.db2.gz BXPABGGUNJFRNK-UHFFFAOYSA-N 0 0 191.205 2.376 10 30 AEEERN N#CCCCSc1ccncc1N 37190225 572105301 /nfs/dbraw/zinc/10/53/01/572105301.db2.gz YFPBHIQBBFIVRM-UHFFFAOYSA-N 0 0 193.275 2.060 10 30 AEEERN O=C1C=C(n2cccc2)CCC1 34732469 572104999 /nfs/dbraw/zinc/10/49/99/572104999.db2.gz ITTKISWRNXJHKN-UHFFFAOYSA-N 0 0 161.204 2.082 10 30 AEEERN C[C@@H]1CSC(Nc2ccccc2)=N1 34752469 572107513 /nfs/dbraw/zinc/10/75/13/572107513.db2.gz RSTCXQXCEMGRKE-MRVPVSSYSA-N 0 0 192.287 2.399 10 30 AEEERN C[C@@H]1CC[C@@H](C=O)[C@H](C)CC[C@@H]1C=O 34753330 572107542 /nfs/dbraw/zinc/10/75/42/572107542.db2.gz VEOFAQNNOGHPBB-KKOKHZNYSA-N 0 0 196.290 2.463 10 30 AEEERN CCC[C@@H](CC)CC=O 34750420 572106911 /nfs/dbraw/zinc/10/69/11/572106911.db2.gz BKLNQBQVKVVBTR-MRVPVSSYSA-N 0 0 128.215 2.402 10 30 AEEERN C[C@H]1CSC(Nc2ccccc2)=N1 34752470 572106973 /nfs/dbraw/zinc/10/69/73/572106973.db2.gz RSTCXQXCEMGRKE-QMMMGPOBSA-N 0 0 192.287 2.399 10 30 AEEERN C#C[C@@H](C)[C@H](O)C=C=C(C)CC 196191824 572107311 /nfs/dbraw/zinc/10/73/11/572107311.db2.gz GARBOKDSSPXGGD-ABCCIZJZSA-N 0 0 164.248 2.128 10 30 AEEERN C[C@]1(CCC=O)C(=O)C2CCC1CC2 34746140 572107661 /nfs/dbraw/zinc/10/76/61/572107661.db2.gz VMRMYVZOZIAMRO-RTYFJBAXSA-N 0 0 194.274 2.361 10 30 AEEERN CCc1ccccc1CN[C@@H](C)C#N 82774684 572107715 /nfs/dbraw/zinc/10/77/15/572107715.db2.gz KHGRHXGECDTYLA-JTQLQIEISA-N 0 0 188.274 2.251 10 30 AEEERN C[C@@H]1CC[C@@H](C)/C(=N/O)C1 34764618 572107796 /nfs/dbraw/zinc/10/77/96/572107796.db2.gz IFVIXLSUAKEPKV-GEWYRVSKSA-N 0 0 141.214 2.273 10 30 AEEERN CCCC[S@](=O)[C@@H](CC)CC#N 82789136 572111150 /nfs/dbraw/zinc/11/11/50/572111150.db2.gz QALRQXIYGRVNSU-JOYOIKCWSA-N 0 0 187.308 2.227 10 30 AEEERN C=CC1=C(C)C(=O)[C@@H](C)C1 34768996 572108669 /nfs/dbraw/zinc/10/86/69/572108669.db2.gz KMHCLXCTRWXXFT-LURJTMIESA-N 0 0 136.194 2.098 10 30 AEEERN CCC[C@H](CC)CC=O 34750421 572108730 /nfs/dbraw/zinc/10/87/30/572108730.db2.gz BKLNQBQVKVVBTR-QMMMGPOBSA-N 0 0 128.215 2.402 10 30 AEEERN C[C@]1(CCC=O)CCC=CO1 34768837 572108974 /nfs/dbraw/zinc/10/89/74/572108974.db2.gz IOSLVGIRRGIHTC-SECBINFHSA-N 0 0 154.209 2.048 10 30 AEEERN C[C@H]1CC[C@H](C)/C(=N/O)C1 34764615 572109028 /nfs/dbraw/zinc/10/90/28/572109028.db2.gz IFVIXLSUAKEPKV-UNGAXTPMSA-N 0 0 141.214 2.273 10 30 AEEERN C=CC1=C(C)C(=O)[C@H](C)C1 34768994 572109034 /nfs/dbraw/zinc/10/90/34/572109034.db2.gz KMHCLXCTRWXXFT-ZCFIWIBFSA-N 0 0 136.194 2.098 10 30 AEEERN C[C@H]1CC[C@H](C=O)[C@H](C)CC[C@@H]1C=O 34753329 572109045 /nfs/dbraw/zinc/10/90/45/572109045.db2.gz VEOFAQNNOGHPBB-WRWGMCAJSA-N 0 0 196.290 2.463 10 30 AEEERN CC[C@H](O)C(=O)C1=CCCCCC1 234054002 572109111 /nfs/dbraw/zinc/10/91/11/572109111.db2.gz QTSRAKXFKRFPPD-JTQLQIEISA-N 0 0 182.263 2.217 10 30 AEEERN N#Cc1ccc2cc(CO)ccc2c1 34760316 572109207 /nfs/dbraw/zinc/10/92/07/572109207.db2.gz PCURJZMHSLMVLL-UHFFFAOYSA-N 0 0 183.210 2.204 10 30 AEEERN CCc1ccccc1CN[C@H](C)C#N 82774685 572109278 /nfs/dbraw/zinc/10/92/78/572109278.db2.gz KHGRHXGECDTYLA-SNVBAGLBSA-N 0 0 188.274 2.251 10 30 AEEERN C[C@@]1(CCC=O)CCC=CO1 34768839 572109343 /nfs/dbraw/zinc/10/93/43/572109343.db2.gz IOSLVGIRRGIHTC-VIFPVBQESA-N 0 0 154.209 2.048 10 30 AEEERN CC(C)=C1C(=O)[C@H]2CC=C[C@@H]12 34773307 572109477 /nfs/dbraw/zinc/10/94/77/572109477.db2.gz YIPYDGKDFXCWCF-SFYZADRCSA-N 0 0 148.205 2.098 10 30 AEEERN C[C@H]1CC[C@@H](C)C/C1=N\O 34764612 572109535 /nfs/dbraw/zinc/10/95/35/572109535.db2.gz IFVIXLSUAKEPKV-URPQZBFOSA-N 0 0 141.214 2.273 10 30 AEEERN O=C[C@@H]1CC[C@@H]2CCC[C@H]21 34753337 572109568 /nfs/dbraw/zinc/10/95/68/572109568.db2.gz LHOQCEAXPLQECM-XHNCKOQMSA-N 0 0 138.210 2.012 10 30 AEEERN O=C[C@H]1CC[C@H]2CCC[C@@H]12 34753334 572109705 /nfs/dbraw/zinc/10/97/05/572109705.db2.gz LHOQCEAXPLQECM-IWSPIJDZSA-N 0 0 138.210 2.012 10 30 AEEERN C=CC(=O)C=C(Cl)Cl 34768944 572109900 /nfs/dbraw/zinc/10/99/00/572109900.db2.gz FKVJXQFSKVNKHQ-UHFFFAOYSA-N 0 0 150.992 2.061 10 30 AEEERN C[C@@H](C#N)[S@](=O)[C@@H]1CCC[C@@H](C)C1 82787887 572111079 /nfs/dbraw/zinc/11/10/79/572111079.db2.gz PDNFTGTVOKIQKQ-BSTOTGJRSA-N 0 0 199.319 2.226 10 30 AEEERN CC(C)(C)[S@](=O)[C@H]1CCC[C@@H]1C#N 82788719 572110240 /nfs/dbraw/zinc/11/02/40/572110240.db2.gz XVSBUVVQBIYLLK-ZDMBXUJBSA-N 0 0 199.319 2.226 10 30 AEEERN CC(C)[S@](=O)[C@H]1CCCC[C@@H]1C#N 82789315 572111089 /nfs/dbraw/zinc/11/10/89/572111089.db2.gz UHYJGQBBTPQMRJ-GBIKHYSHSA-N 0 0 199.319 2.226 10 30 AEEERN CC(C)C[S@@](=O)CCCCC#N 82788996 572110278 /nfs/dbraw/zinc/11/02/78/572110278.db2.gz SNKTYIVXPINEIH-GFCCVEGCSA-N 0 0 187.308 2.085 10 30 AEEERN CCCC[S@](=O)[C@@H]1CCC[C@@H]1C#N 82789182 572110338 /nfs/dbraw/zinc/11/03/38/572110338.db2.gz SEXMDXAZUQQPSI-GIPNMCIBSA-N 0 0 199.319 2.227 10 30 AEEERN N#CCCC[S@@](=O)CC1CCCC1 82789701 572110360 /nfs/dbraw/zinc/11/03/60/572110360.db2.gz SOZMJXZWVVXHJO-ZDUSSCGKSA-N 0 0 199.319 2.229 10 30 AEEERN CC[C@H](C)[S@](=O)[C@@H]1CCC[C@@H]1C#N 82788491 572110462 /nfs/dbraw/zinc/11/04/62/572110462.db2.gz CSAJYGCTFTUWTC-DCJFZGGZSA-N 0 0 199.319 2.226 10 30 AEEERN CCCC[S@](=O)[C@H](CC)CC#N 82789138 572110478 /nfs/dbraw/zinc/11/04/78/572110478.db2.gz QALRQXIYGRVNSU-BXKDBHETSA-N 0 0 187.308 2.227 10 30 AEEERN CC[C@H](C)[S@@](=O)CCCCC#N 82788435 572110483 /nfs/dbraw/zinc/11/04/83/572110483.db2.gz TZAUCKUHDNHDBG-JOYOIKCWSA-N 0 0 187.308 2.227 10 30 AEEERN CCCC[S@](=O)CCCCC#N 82789148 572111104 /nfs/dbraw/zinc/11/11/04/572111104.db2.gz MZLRVVXVRFUNNJ-GFCCVEGCSA-N 0 0 187.308 2.229 10 30 AEEERN C[C@H](CC#N)[S@@](=O)CC1CCCC1 82789684 572110554 /nfs/dbraw/zinc/11/05/54/572110554.db2.gz YMQIJDZVYFYPOH-NOZJJQNGSA-N 0 0 199.319 2.227 10 30 AEEERN CC(=O)/C=N/[C@@H](C)c1ccccc1 34875177 572110609 /nfs/dbraw/zinc/11/06/09/572110609.db2.gz XGJNJSGPWKIWPX-MJWAUXSNSA-N 0 0 175.231 2.407 10 30 AEEERN CCCC[S@@](=O)[C@H]1CCC[C@@H]1C#N 82789183 572110611 /nfs/dbraw/zinc/11/06/11/572110611.db2.gz SEXMDXAZUQQPSI-NRUUGDAUSA-N 0 0 199.319 2.227 10 30 AEEERN C[C@@H](CC#N)[S@@](=O)CC1CCCC1 82789681 572110653 /nfs/dbraw/zinc/11/06/53/572110653.db2.gz YMQIJDZVYFYPOH-TVQRCGJNSA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@H](CC#N)[S@](=O)C1CCCC1 82789567 572110677 /nfs/dbraw/zinc/11/06/77/572110677.db2.gz AKNOVBPRCSCRIP-NOZJJQNGSA-N 0 0 199.319 2.370 10 30 AEEERN C[C@H](C#N)C[S@](=O)CC1CCCC1 82789677 572110684 /nfs/dbraw/zinc/11/06/84/572110684.db2.gz GPQJQZFLZCGXLE-NOZJJQNGSA-N 0 0 199.319 2.085 10 30 AEEERN CC[C@@H](CC#N)[S@](=O)CC(C)C 82788981 572110692 /nfs/dbraw/zinc/11/06/92/572110692.db2.gz QFTMGHQYLVNUDQ-CABZTGNLSA-N 0 0 187.308 2.083 10 30 AEEERN CC[C@@H](C#N)[S@](=O)CC1CCCC1 82789695 572110694 /nfs/dbraw/zinc/11/06/94/572110694.db2.gz ZUBNRZKKPSYRPD-GWCFXTLKSA-N 0 0 199.319 2.227 10 30 AEEERN C=C(SC)C(=C)[C@H](O)C(C)C 196187254 572110703 /nfs/dbraw/zinc/11/07/03/572110703.db2.gz LRTIUEXWILKNNX-SECBINFHSA-N 0 0 172.293 2.436 10 30 AEEERN CC[S@](=O)[C@H]1CCCCC[C@@H]1C#N 82788592 572110751 /nfs/dbraw/zinc/11/07/51/572110751.db2.gz XSGIOTSSFYARDL-GBIKHYSHSA-N 0 0 199.319 2.227 10 30 AEEERN C[C@H](CC#N)CC(C)(C)C#N 17670039 572110844 /nfs/dbraw/zinc/11/08/44/572110844.db2.gz FTRQZXKIDLZWRS-MRVPVSSYSA-N 0 0 150.225 2.476 10 30 AEEERN CC(C)(C)[S@](=O)CCCCC#N 82788673 572110856 /nfs/dbraw/zinc/11/08/56/572110856.db2.gz QSPHJHQJBSRTMH-LBPRGKRZSA-N 0 0 187.308 2.227 10 30 AEEERN CC[C@@H](CC#N)[S@@](=O)C1CCCC1 82789559 572110991 /nfs/dbraw/zinc/11/09/91/572110991.db2.gz AKNOVBPRCSCRIP-ZANVPECISA-N 0 0 199.319 2.370 10 30 AEEERN C=C[C@@H](C)ON[C@H]1CCOC(C)(C)C1 400934424 572111060 /nfs/dbraw/zinc/11/10/60/572111060.db2.gz MVEFHOLXJTZZER-ZJUUUORDSA-N 0 0 199.294 2.040 10 30 AEEERN CC(C)(C)[S@](=O)[C@@H]1CCC[C@@H]1C#N 82788715 572111851 /nfs/dbraw/zinc/11/18/51/572111851.db2.gz XVSBUVVQBIYLLK-KKFJDGPESA-N 0 0 199.319 2.226 10 30 AEEERN CCC[S@](=O)[C@H]1CCCC[C@@H]1C#N 82788735 572111314 /nfs/dbraw/zinc/11/13/14/572111314.db2.gz DTGZMSBZDYYWMV-GBIKHYSHSA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@@H](C)[S@@](=O)CCCCC#N 82788432 572111336 /nfs/dbraw/zinc/11/13/36/572111336.db2.gz TZAUCKUHDNHDBG-BXKDBHETSA-N 0 0 187.308 2.227 10 30 AEEERN CC[S@](=O)[C@@H]1CCCCC[C@@H]1C#N 82788588 572111361 /nfs/dbraw/zinc/11/13/61/572111361.db2.gz XSGIOTSSFYARDL-GIPNMCIBSA-N 0 0 199.319 2.227 10 30 AEEERN N#Cc1c(C=O)ccc(F)c1Cl 34925470 572111535 /nfs/dbraw/zinc/11/15/35/572111535.db2.gz GCSCTIGGJPGKGP-UHFFFAOYSA-N 0 0 183.569 2.163 10 30 AEEERN CC[C@H](C)[S@](=O)[C@@H](CC)CC#N 82788422 572111911 /nfs/dbraw/zinc/11/19/11/572111911.db2.gz XFDPFRMVSIKLNF-HOTUBEGUSA-N 0 0 187.308 2.226 10 30 AEEERN CC[C@H](C#N)[S@@](=O)CC1CCCC1 82789693 572111932 /nfs/dbraw/zinc/11/19/32/572111932.db2.gz ZUBNRZKKPSYRPD-ZWNOBZJWSA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@@H](CC#N)[S@@](=O)[C@H](C)CC 82788421 572112007 /nfs/dbraw/zinc/11/20/07/572112007.db2.gz XFDPFRMVSIKLNF-VDDIYKPWSA-N 0 0 187.308 2.226 10 30 AEEERN CC[C@@H]1CC[C@@H](C#N)[C@H]([S@](C)=O)C1 82789502 572112136 /nfs/dbraw/zinc/11/21/36/572112136.db2.gz IJEIQUMMIYXWJR-BSTOTGJRSA-N 0 0 199.319 2.083 10 30 AEEERN CC[C@H](CC#N)[S@](=O)C(C)(C)C 82788661 572112146 /nfs/dbraw/zinc/11/21/46/572112146.db2.gz IRNFKFVIDNOOQY-PRHODGIISA-N 0 0 187.308 2.226 10 30 AEEERN CC[C@@H](C)[S@](=O)CCCCC#N 82788437 572112159 /nfs/dbraw/zinc/11/21/59/572112159.db2.gz TZAUCKUHDNHDBG-SKDRFNHKSA-N 0 0 187.308 2.227 10 30 AEEERN CC[C@H](C)[S@](=O)CCCCC#N 82788440 572112187 /nfs/dbraw/zinc/11/21/87/572112187.db2.gz TZAUCKUHDNHDBG-CABZTGNLSA-N 0 0 187.308 2.227 10 30 AEEERN CCCC[S@@](=O)[C@@H](CC)CC#N 82789135 572112192 /nfs/dbraw/zinc/11/21/92/572112192.db2.gz QALRQXIYGRVNSU-CABZTGNLSA-N 0 0 187.308 2.227 10 30 AEEERN CC(C)C[S@](=O)[C@H]1CCC[C@@H]1C#N 82789039 572112202 /nfs/dbraw/zinc/11/22/02/572112202.db2.gz NPKYEMNBBRRPDJ-GBIKHYSHSA-N 0 0 199.319 2.083 10 30 AEEERN CC[C@H](CC#N)[S@@](=O)C1CCCC1 82789561 572112228 /nfs/dbraw/zinc/11/22/28/572112228.db2.gz AKNOVBPRCSCRIP-RNCFNFMXSA-N 0 0 199.319 2.370 10 30 AEEERN CC[C@H](CC#N)[S@@](=O)CC(C)C 82788980 572112247 /nfs/dbraw/zinc/11/22/47/572112247.db2.gz QFTMGHQYLVNUDQ-BXKDBHETSA-N 0 0 187.308 2.083 10 30 AEEERN CC[C@H]1CC[C@H](C#N)[C@H]([S@](C)=O)C1 82789500 572112262 /nfs/dbraw/zinc/11/22/62/572112262.db2.gz IJEIQUMMIYXWJR-DCJFZGGZSA-N 0 0 199.319 2.083 10 30 AEEERN C=C[C@@H](C)[C@H](F)C(=O)CC 196193591 572112266 /nfs/dbraw/zinc/11/22/66/572112266.db2.gz DTLFJIVEULXAFV-SVRRBLITSA-N 0 0 144.189 2.126 10 30 AEEERN CCCC[S@@](=O)[C@@H]1CCC[C@@H]1C#N 82789181 572112296 /nfs/dbraw/zinc/11/22/96/572112296.db2.gz SEXMDXAZUQQPSI-BREBYQMCSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)[S@](=O)[C@@H]1CCCC[C@@H]1C#N 82789312 572112308 /nfs/dbraw/zinc/11/23/08/572112308.db2.gz UHYJGQBBTPQMRJ-GIPNMCIBSA-N 0 0 199.319 2.226 10 30 AEEERN N#CCCC[S@](=O)CC1CCCC1 82789700 572112317 /nfs/dbraw/zinc/11/23/17/572112317.db2.gz SOZMJXZWVVXHJO-CYBMUJFWSA-N 0 0 199.319 2.229 10 30 AEEERN CCCC[S@@](=O)[C@H](CC)CC#N 82789137 572112329 /nfs/dbraw/zinc/11/23/29/572112329.db2.gz QALRQXIYGRVNSU-SKDRFNHKSA-N 0 0 187.308 2.227 10 30 AEEERN CC(C)(C)[S@@](=O)CCCCC#N 82788671 572112353 /nfs/dbraw/zinc/11/23/53/572112353.db2.gz QSPHJHQJBSRTMH-GFCCVEGCSA-N 0 0 187.308 2.227 10 30 AEEERN CC(C)C[S@](=O)CCCCC#N 82788997 572112409 /nfs/dbraw/zinc/11/24/09/572112409.db2.gz SNKTYIVXPINEIH-LBPRGKRZSA-N 0 0 187.308 2.085 10 30 AEEERN C=CC(C)(C)CC(=O)CC#N 17675520 572112448 /nfs/dbraw/zinc/11/24/48/572112448.db2.gz PVSRGNKCENYOLI-UHFFFAOYSA-N 0 0 151.209 2.071 10 30 AEEERN CC(C)=CCC(C#N)C#N 207253754 572112550 /nfs/dbraw/zinc/11/25/50/572112550.db2.gz JOKGVOWGDZBGJO-UHFFFAOYSA-N 0 0 134.182 2.006 10 30 AEEERN CCCO[C@@H](C)C[C@@](C)(C#N)NCC 82796376 572112673 /nfs/dbraw/zinc/11/26/73/572112673.db2.gz KSLSRMVVRDDUPO-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN CCCS[C@H](C)C[C@](C)(N)C#N 82797039 572112692 /nfs/dbraw/zinc/11/26/92/572112692.db2.gz QSGSWCHBZMQISJ-BDAKNGLRSA-N 0 0 186.324 2.149 10 30 AEEERN CCCN[C@@](C)(C#N)C[C@H](C)OCC 82796146 572112712 /nfs/dbraw/zinc/11/27/12/572112712.db2.gz PCTBMOVHPOYBDF-WDEREUQCSA-N 0 0 198.310 2.083 10 30 AEEERN N#CCc1ccc(COC2CC2)cc1 713218599 572112716 /nfs/dbraw/zinc/11/27/16/572112716.db2.gz PWQSLEIRMPOAAH-UHFFFAOYSA-N 0 0 187.242 2.432 10 30 AEEERN CC(C)S[C@@H](C)C[C@](C)(N)C#N 82797206 572112723 /nfs/dbraw/zinc/11/27/23/572112723.db2.gz OEFWTXDWAJIURV-IUCAKERBSA-N 0 0 186.324 2.148 10 30 AEEERN CCS[C@H](C)C[C@](C)(C#N)NC 82796995 572112730 /nfs/dbraw/zinc/11/27/30/572112730.db2.gz SFRNWBFLZKPHPV-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN CCCO[C@H](C)C[C@@](C)(C#N)NCC 82796378 572112746 /nfs/dbraw/zinc/11/27/46/572112746.db2.gz KSLSRMVVRDDUPO-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN CN[C@](C)(C#N)C[C@H](C)OC(C)(C)C 82795579 572112890 /nfs/dbraw/zinc/11/28/90/572112890.db2.gz YOCVKEVKYONLAG-ONGXEEELSA-N 0 0 198.310 2.082 10 30 AEEERN CCO[C@H](C)C[C@@](C)(C#N)NC(C)C 82796137 572112946 /nfs/dbraw/zinc/11/29/46/572112946.db2.gz IYGYABUEPSNASY-MNOVXSKESA-N 0 0 198.310 2.082 10 30 AEEERN CS[C@H](C)C[C@](C)(C#N)NC1CC1 82797225 572113099 /nfs/dbraw/zinc/11/30/99/572113099.db2.gz QPXLTSDJMYNWAV-PSASIEDQSA-N 0 0 198.335 2.162 10 30 AEEERN COc1ccc(C)c2nc(C#N)ccc12 300941375 572113102 /nfs/dbraw/zinc/11/31/02/572113102.db2.gz XWEOKNTXSHZLFK-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CCO[C@H](C)C[C@](C)(C#N)NC(C)C 82796139 572113218 /nfs/dbraw/zinc/11/32/18/572113218.db2.gz IYGYABUEPSNASY-GHMZBOCLSA-N 0 0 198.310 2.082 10 30 AEEERN CC(C)CCO[C@H](C)C[C@@](C)(N)C#N 82795753 572113234 /nfs/dbraw/zinc/11/32/34/572113234.db2.gz BNLIDJPFBLSGQD-GHMZBOCLSA-N 0 0 198.310 2.069 10 30 AEEERN CCC(CC)C(=O)[C@H](C)C#N 34975739 572113250 /nfs/dbraw/zinc/11/32/50/572113250.db2.gz PNGUZHXCGJRIID-SSDOTTSWSA-N 0 0 153.225 2.151 10 30 AEEERN COCOc1cc(CC#N)ccc1C 113602083 572113296 /nfs/dbraw/zinc/11/32/96/572113296.db2.gz ZVVMXQMKOQNBLA-UHFFFAOYSA-N 0 0 191.230 2.044 10 30 AEEERN CCCCO[C@@H](C)C[C@](C)(C#N)NC 82796424 572113309 /nfs/dbraw/zinc/11/33/09/572113309.db2.gz MIQRJXCJKKQHAZ-WDEREUQCSA-N 0 0 198.310 2.083 10 30 AEEERN CC(C)S[C@H](C)C[C@](C)(N)C#N 82797207 572113344 /nfs/dbraw/zinc/11/33/44/572113344.db2.gz OEFWTXDWAJIURV-BDAKNGLRSA-N 0 0 186.324 2.148 10 30 AEEERN CCN[C@](C)(C#N)C[C@H](C)SC 82797216 572113365 /nfs/dbraw/zinc/11/33/65/572113365.db2.gz VAYCSBGDAIQZPB-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN CC(C)S[C@H](C)C[C@@](C)(N)C#N 82797209 572113375 /nfs/dbraw/zinc/11/33/75/572113375.db2.gz OEFWTXDWAJIURV-RKDXNWHRSA-N 0 0 186.324 2.148 10 30 AEEERN CN[C@@](C)(C#N)C[C@H](C)OC(C)(C)C 82795584 572113404 /nfs/dbraw/zinc/11/34/04/572113404.db2.gz YOCVKEVKYONLAG-GXSJLCMTSA-N 0 0 198.310 2.082 10 30 AEEERN C=CC(C)(C)[C@@H](CO)C(=C)C 17581210 572113429 /nfs/dbraw/zinc/11/34/29/572113429.db2.gz RVAUSKMBHSAUGT-VIFPVBQESA-N 0 0 154.253 2.383 10 30 AEEERN CCN[C@@](C)(C#N)C[C@H](C)SC 82797217 572113603 /nfs/dbraw/zinc/11/36/03/572113603.db2.gz VAYCSBGDAIQZPB-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN CCCCCO[C@@H](C)C[C@](C)(N)C#N 82796502 572113772 /nfs/dbraw/zinc/11/37/72/572113772.db2.gz URWIQFXQAYBCBZ-QWRGUYRKSA-N 0 0 198.310 2.213 10 30 AEEERN C=C[C@@H](C)[C@@H](O)[C@@H](C)CC 196182709 572114713 /nfs/dbraw/zinc/11/47/13/572114713.db2.gz MVTVDAPLCOTIFV-HRDYMLBCSA-N 0 0 142.242 2.216 10 30 AEEERN CCCCCO[C@H](C)C[C@](C)(N)C#N 82796508 572113811 /nfs/dbraw/zinc/11/38/11/572113811.db2.gz URWIQFXQAYBCBZ-MNOVXSKESA-N 0 0 198.310 2.213 10 30 AEEERN CCCO[C@@H](C)C[C@](C)(C#N)NCC 82796380 572113832 /nfs/dbraw/zinc/11/38/32/572113832.db2.gz KSLSRMVVRDDUPO-WDEREUQCSA-N 0 0 198.310 2.083 10 30 AEEERN CCO[C@@H](C)C[C@@](C)(C#N)NC(C)C 82796136 572113880 /nfs/dbraw/zinc/11/38/80/572113880.db2.gz IYGYABUEPSNASY-QWRGUYRKSA-N 0 0 198.310 2.082 10 30 AEEERN CCCN[C@](C)(C#N)C[C@H](C)OCC 82796144 572113932 /nfs/dbraw/zinc/11/39/32/572113932.db2.gz PCTBMOVHPOYBDF-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN CN[C@@](C)(C#N)C[C@@H](C)OC(C)(C)C 82795586 572113934 /nfs/dbraw/zinc/11/39/34/572113934.db2.gz YOCVKEVKYONLAG-MWLCHTKSSA-N 0 0 198.310 2.082 10 30 AEEERN CCS[C@H](C)C[C@@](C)(C#N)NC 82796993 572113957 /nfs/dbraw/zinc/11/39/57/572113957.db2.gz SFRNWBFLZKPHPV-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN CCSCCCN[C@H](C#N)CC 300944401 572113963 /nfs/dbraw/zinc/11/39/63/572113963.db2.gz ODWBNCVICUDRMQ-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCCCO[C@H](C)C[C@](C)(C#N)NC 82796426 572114075 /nfs/dbraw/zinc/11/40/75/572114075.db2.gz MIQRJXCJKKQHAZ-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN CCC(C)(C)O[C@@H](C)C[C@@](C)(N)C#N 82795667 572114705 /nfs/dbraw/zinc/11/47/05/572114705.db2.gz KJMQYYMAVFZHOP-GXSJLCMTSA-N 0 0 198.310 2.211 10 30 AEEERN CCC(C)(C)O[C@H](C)C[C@](C)(N)C#N 82795664 572114184 /nfs/dbraw/zinc/11/41/84/572114184.db2.gz KJMQYYMAVFZHOP-KOLCDFICSA-N 0 0 198.310 2.211 10 30 AEEERN CCCO[C@H](C)C[C@](C)(C#N)NCC 82796381 572114191 /nfs/dbraw/zinc/11/41/91/572114191.db2.gz KSLSRMVVRDDUPO-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN CN[C@](C)(C#N)C[C@@H](C)OC(C)(C)C 82795581 572114288 /nfs/dbraw/zinc/11/42/88/572114288.db2.gz YOCVKEVKYONLAG-KOLCDFICSA-N 0 0 198.310 2.082 10 30 AEEERN CCCCCO[C@H](C)C[C@@](C)(N)C#N 82796513 572114298 /nfs/dbraw/zinc/11/42/98/572114298.db2.gz URWIQFXQAYBCBZ-GHMZBOCLSA-N 0 0 198.310 2.213 10 30 AEEERN C=CCNCc1ncc(Cl)s1 220935712 572114481 /nfs/dbraw/zinc/11/44/81/572114481.db2.gz BFPVHMBDCOMHNP-UHFFFAOYSA-N 0 0 188.683 2.072 10 30 AEEERN CS[C@H](C)C[C@@](C)(C#N)NC1CC1 82797223 572114564 /nfs/dbraw/zinc/11/45/64/572114564.db2.gz QPXLTSDJMYNWAV-SCZZXKLOSA-N 0 0 198.335 2.162 10 30 AEEERN CCO[C@@H](C)C[C@](C)(C#N)NC(C)C 82796138 572114634 /nfs/dbraw/zinc/11/46/34/572114634.db2.gz IYGYABUEPSNASY-WDEREUQCSA-N 0 0 198.310 2.082 10 30 AEEERN CS[C@@H](C)C[C@@](C)(C#N)NC1CC1 82797222 572114638 /nfs/dbraw/zinc/11/46/38/572114638.db2.gz QPXLTSDJMYNWAV-WPRPVWTQSA-N 0 0 198.335 2.162 10 30 AEEERN CCCCO[C@@H](C)C[C@@](C)(C#N)NC 82796419 572114689 /nfs/dbraw/zinc/11/46/89/572114689.db2.gz MIQRJXCJKKQHAZ-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN CCCS[C@H](C)C[C@@](C)(N)C#N 82797041 572114760 /nfs/dbraw/zinc/11/47/60/572114760.db2.gz QSGSWCHBZMQISJ-RKDXNWHRSA-N 0 0 186.324 2.149 10 30 AEEERN CCN[C@](C)(C#N)C[C@@H](C)SC 82797214 572114782 /nfs/dbraw/zinc/11/47/82/572114782.db2.gz VAYCSBGDAIQZPB-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN CCCS[C@@H](C)C[C@@](C)(N)C#N 82797040 572114792 /nfs/dbraw/zinc/11/47/92/572114792.db2.gz QSGSWCHBZMQISJ-DTWKUNHWSA-N 0 0 186.324 2.149 10 30 AEEERN CCS[C@@H](C)C[C@](C)(C#N)NC 82796994 572114862 /nfs/dbraw/zinc/11/48/62/572114862.db2.gz SFRNWBFLZKPHPV-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN CCCS[C@@H](C)C[C@](C)(N)C#N 82797038 572115001 /nfs/dbraw/zinc/11/50/01/572115001.db2.gz QSGSWCHBZMQISJ-IUCAKERBSA-N 0 0 186.324 2.149 10 30 AEEERN CC(C)CCO[C@@H](C)C[C@@](C)(N)C#N 82795751 572115055 /nfs/dbraw/zinc/11/50/55/572115055.db2.gz BNLIDJPFBLSGQD-WDEREUQCSA-N 0 0 198.310 2.069 10 30 AEEERN CCN[C@@](C)(C#N)C[C@@H](C)SC 82797215 572115074 /nfs/dbraw/zinc/11/50/74/572115074.db2.gz VAYCSBGDAIQZPB-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN CC(C)CCO[C@H](C)C[C@](C)(N)C#N 82795749 572115140 /nfs/dbraw/zinc/11/51/40/572115140.db2.gz BNLIDJPFBLSGQD-MNOVXSKESA-N 0 0 198.310 2.069 10 30 AEEERN CC(C)S[C@@H](C)C[C@@](C)(N)C#N 82797208 572115203 /nfs/dbraw/zinc/11/52/03/572115203.db2.gz OEFWTXDWAJIURV-DTWKUNHWSA-N 0 0 186.324 2.148 10 30 AEEERN CCS[C@@H](C)C[C@@](C)(C#N)NC 82796992 572115226 /nfs/dbraw/zinc/11/52/26/572115226.db2.gz SFRNWBFLZKPHPV-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN CCC(C)(C)O[C@@H](C)C[C@](C)(N)C#N 82795662 572115236 /nfs/dbraw/zinc/11/52/36/572115236.db2.gz KJMQYYMAVFZHOP-ONGXEEELSA-N 0 0 198.310 2.211 10 30 AEEERN CS[C@@H](C)C[C@](C)(C#N)NC1CC1 82797224 572115258 /nfs/dbraw/zinc/11/52/58/572115258.db2.gz QPXLTSDJMYNWAV-WCBMZHEXSA-N 0 0 198.335 2.162 10 30 AEEERN CCCCO[C@H](C)C[C@@](C)(C#N)NC 82796421 572115261 /nfs/dbraw/zinc/11/52/61/572115261.db2.gz MIQRJXCJKKQHAZ-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN CCCN[C@@](C)(C#N)C[C@@H](C)OCC 82796141 572115288 /nfs/dbraw/zinc/11/52/88/572115288.db2.gz PCTBMOVHPOYBDF-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN C=CC[C@H](F)C(=O)CCC 196193603 572115325 /nfs/dbraw/zinc/11/53/25/572115325.db2.gz MUWYWLPDWIGJDB-ZETCQYMHSA-N 0 0 144.189 2.270 10 30 AEEERN C[C@@H]1Nc2ccccc2[C@@H]1CC#N 71487085 572115630 /nfs/dbraw/zinc/11/56/30/572115630.db2.gz XBFPNCIFPBOAQP-DTWKUNHWSA-N 0 0 172.231 2.498 10 30 AEEERN C[C@H]1Nc2ccccc2[C@H]1C#N 71486989 572115773 /nfs/dbraw/zinc/11/57/73/572115773.db2.gz KBLIUZJTKDBBEJ-APPZFPTMSA-N 0 0 158.204 2.108 10 30 AEEERN C[C@H]1Nc2ccccc2[C@@H]1CC#N 71487082 572115832 /nfs/dbraw/zinc/11/58/32/572115832.db2.gz XBFPNCIFPBOAQP-RKDXNWHRSA-N 0 0 172.231 2.498 10 30 AEEERN C[C@H]1Nc2ccccc2[C@@H]1C#N 71486992 572116612 /nfs/dbraw/zinc/11/66/12/572116612.db2.gz KBLIUZJTKDBBEJ-VXNVDRBHSA-N 0 0 158.204 2.108 10 30 AEEERN C=C1CC[C@H](CC)[C@@H](O)C1 196196455 572116868 /nfs/dbraw/zinc/11/68/68/572116868.db2.gz JIKZIDNMENPXFQ-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C[C@@H]1Nc2ccccc2[C@H]1C#N 71486991 572117016 /nfs/dbraw/zinc/11/70/16/572117016.db2.gz KBLIUZJTKDBBEJ-CBAPKCEASA-N 0 0 158.204 2.108 10 30 AEEERN C=C1CCCC[C@@H]1[C@@](C)(CO)C(C)=O 220923755 572117480 /nfs/dbraw/zinc/11/74/80/572117480.db2.gz YKJBATOOJVWDBL-RYUDHWBXSA-N 0 0 196.290 2.320 10 30 AEEERN CCC(=O)C=NNc1ccccc1 35076058 572117891 /nfs/dbraw/zinc/11/78/91/572117891.db2.gz CVINSZTZOJTSND-DHZHZOJOSA-N 0 0 176.219 2.063 10 30 AEEERN C=C1CCCC[C@H]1[C@](C)(CO)C(C)=O 220923627 572117919 /nfs/dbraw/zinc/11/79/19/572117919.db2.gz YKJBATOOJVWDBL-VXGBXAGGSA-N 0 0 196.290 2.320 10 30 AEEERN C=C[C@H]([NH2+]C(CC)(CC)CC)C(=O)[O-] 300946927 572118010 /nfs/dbraw/zinc/11/80/10/572118010.db2.gz FKEGKMZCGIGOOV-VIFPVBQESA-N 0 0 199.294 2.184 10 30 AEEERN C[C@H]1CC[C@@](C#N)(NC2CC2)[C@@H](C)C1 222196733 572118018 /nfs/dbraw/zinc/11/80/18/572118018.db2.gz CKDMBSDBTDWFNJ-NHCYSSNCSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H]1Nc2ccccc2[C@H]1CC#N 71487079 572118116 /nfs/dbraw/zinc/11/81/16/572118116.db2.gz XBFPNCIFPBOAQP-BDAKNGLRSA-N 0 0 172.231 2.498 10 30 AEEERN C=CC[C@@H](F)C(=O)CCC 196193598 572118251 /nfs/dbraw/zinc/11/82/51/572118251.db2.gz MUWYWLPDWIGJDB-SSDOTTSWSA-N 0 0 144.189 2.270 10 30 AEEERN C[C@@H]1Nc2ccccc2[C@H]1CC#N 71487081 572118286 /nfs/dbraw/zinc/11/82/86/572118286.db2.gz XBFPNCIFPBOAQP-IUCAKERBSA-N 0 0 172.231 2.498 10 30 AEEERN O=CCCC#CC1=CCCCC1 35032914 572118322 /nfs/dbraw/zinc/11/83/22/572118322.db2.gz FIZIPGJUMHNJCL-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN C[C@H]1CCC[C@@H](C)N1NCCCC#N 215087375 572118359 /nfs/dbraw/zinc/11/83/59/572118359.db2.gz KQFHSTGJBARHEL-PHIMTYICSA-N 0 0 195.310 2.058 10 30 AEEERN COc1ccc(C#CCCC=O)cc1 35032912 572118416 /nfs/dbraw/zinc/11/84/16/572118416.db2.gz GHHGBPZOVIENPB-UHFFFAOYSA-N 0 0 188.226 2.026 10 30 AEEERN C[C@@H]1Nc2ccccc2[C@@H]1C#N 71486995 572118459 /nfs/dbraw/zinc/11/84/59/572118459.db2.gz KBLIUZJTKDBBEJ-IONNQARKSA-N 0 0 158.204 2.108 10 30 AEEERN C#C[C@H](C)[C@H](O)C=C=C(C)CC 196191805 572120740 /nfs/dbraw/zinc/12/07/40/572120740.db2.gz GARBOKDSSPXGGD-ZJVIIBSASA-N 0 0 164.248 2.128 10 30 AEEERN C#C[C@H](CC(C)=O)c1ccccc1 196197871 572120743 /nfs/dbraw/zinc/12/07/43/572120743.db2.gz AWDHLVQGWKRWOW-LLVKDONJSA-N 0 0 172.227 2.383 10 30 AEEERN CCc1ccccc1[C@H]1CO1 17939482 572118744 /nfs/dbraw/zinc/11/87/44/572118744.db2.gz FKOINCHUBCXOSV-SNVBAGLBSA-N 0 0 148.205 2.320 10 30 AEEERN C=CC[C@@H](F)[C@@H](O)CCC 196193675 572118755 /nfs/dbraw/zinc/11/87/55/572118755.db2.gz JLBXJLBLPAYBHZ-SFYZADRCSA-N 0 0 146.205 2.062 10 30 AEEERN C=C(CC)C[C@@H](O)c1cnn(C)c1C 160904634 572119202 /nfs/dbraw/zinc/11/92/02/572119202.db2.gz IFYAXEMUWSWEOP-LLVKDONJSA-N 0 0 194.278 2.118 10 30 AEEERN C=C(SC)C(=C)[C@@H](O)C(C)C 196187246 572119643 /nfs/dbraw/zinc/11/96/43/572119643.db2.gz LRTIUEXWILKNNX-VIFPVBQESA-N 0 0 172.293 2.436 10 30 AEEERN C=C[C@@H]1NC(=O)O[C@H]1C1CCCCC1 196190277 572119700 /nfs/dbraw/zinc/11/97/00/572119700.db2.gz BCMDVJYMPFKXAF-UWVGGRQHSA-N 0 0 195.262 2.230 10 30 AEEERN C=C[C@H](C)[C@@H](F)C(=O)CC 196193571 572119730 /nfs/dbraw/zinc/11/97/30/572119730.db2.gz DTLFJIVEULXAFV-POYBYMJQSA-N 0 0 144.189 2.126 10 30 AEEERN C=C[C@H](C)C(=O)CCC 196194358 572119828 /nfs/dbraw/zinc/11/98/28/572119828.db2.gz WIHKYQXWXCVMFR-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@@H]1NC(=O)O[C@@H]1C1CCCCC1 196190290 572119919 /nfs/dbraw/zinc/11/99/19/572119919.db2.gz BCMDVJYMPFKXAF-VHSXEESVSA-N 0 0 195.262 2.230 10 30 AEEERN N#CCn1ncc2ccc(Cl)cc21 196194221 572119940 /nfs/dbraw/zinc/11/99/40/572119940.db2.gz QLLWHEVJPFLFEB-UHFFFAOYSA-N 0 0 191.621 2.213 10 30 AEEERN C[C@H]1CCC[C@H](C)N1NCCCC#N 215087417 572120009 /nfs/dbraw/zinc/12/00/09/572120009.db2.gz KQFHSTGJBARHEL-QWRGUYRKSA-N 0 0 195.310 2.058 10 30 AEEERN C=C[C@@H](C)C(=O)CCC 196194366 572120074 /nfs/dbraw/zinc/12/00/74/572120074.db2.gz WIHKYQXWXCVMFR-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C#C[C@@H](C)[C@@H](O)C=C=C(C)CC 196191815 572120383 /nfs/dbraw/zinc/12/03/83/572120383.db2.gz GARBOKDSSPXGGD-RFSDDRETSA-N 0 0 164.248 2.128 10 30 AEEERN C=C1CCCC[C@@H]1[C@](C)(CO)C(C)=O 220923693 572120386 /nfs/dbraw/zinc/12/03/86/572120386.db2.gz YKJBATOOJVWDBL-NWDGAFQWSA-N 0 0 196.290 2.320 10 30 AEEERN C[C@@H]1CCC[C@@H](C)N1NCCCC#N 215087467 572120412 /nfs/dbraw/zinc/12/04/12/572120412.db2.gz KQFHSTGJBARHEL-GHMZBOCLSA-N 0 0 195.310 2.058 10 30 AEEERN C=C=CC(=O)C=C(CC)CC 196194580 572120488 /nfs/dbraw/zinc/12/04/88/572120488.db2.gz KYTYBZWWQKIKTQ-UHFFFAOYSA-N 0 0 150.221 2.325 10 30 AEEERN C#C[C@H](C)[C@@H](O)C=C=C(C)CC 196191796 572120660 /nfs/dbraw/zinc/12/06/60/572120660.db2.gz GARBOKDSSPXGGD-KYDCKOQZSA-N 0 0 164.248 2.128 10 30 AEEERN O=CCC[C@H]1C=CC=CCC1 196188362 572120678 /nfs/dbraw/zinc/12/06/78/572120678.db2.gz NPYYIQBQOYXXOV-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CC1=C(C)C(=O)CC(C)(C)O1 196198816 572120695 /nfs/dbraw/zinc/12/06/95/572120695.db2.gz LIUZFDXTDZOGPR-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN O=CCC[C@@H]1C=CC=CCC1 196188354 572120723 /nfs/dbraw/zinc/12/07/23/572120723.db2.gz NPYYIQBQOYXXOV-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCCCNc1cc(C)n(C)n1 300947355 572120830 /nfs/dbraw/zinc/12/08/30/572120830.db2.gz YVVXBXKPMVHVGQ-UHFFFAOYSA-N 0 0 179.267 2.107 10 30 AEEERN C=C[C@H](C)[C@H](F)C(=O)CC 196193581 572120939 /nfs/dbraw/zinc/12/09/39/572120939.db2.gz DTLFJIVEULXAFV-XPUUQOCRSA-N 0 0 144.189 2.126 10 30 AEEERN C=C1CC[C@@H](C(C)C)[C@@H](O)C1 196196487 572120984 /nfs/dbraw/zinc/12/09/84/572120984.db2.gz KSMRJNMZQHIJFJ-UWVGGRQHSA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@@H](Nc1cc(C#N)ccn1)C(C)C 300947893 572121220 /nfs/dbraw/zinc/12/12/20/572121220.db2.gz PJFKTWKENZAWEZ-LLVKDONJSA-N 0 0 199.257 2.023 10 30 AEEERN CCc1ccccc1[C@@H]1CO1 17939480 572121263 /nfs/dbraw/zinc/12/12/63/572121263.db2.gz FKOINCHUBCXOSV-JTQLQIEISA-N 0 0 148.205 2.320 10 30 AEEERN C=C1CC[C@@H](C(C)C)[C@H](O)C1 196196495 572121516 /nfs/dbraw/zinc/12/15/16/572121516.db2.gz KSMRJNMZQHIJFJ-VHSXEESVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@@H](C)[C@@H](F)C(=O)CC 196193585 572121603 /nfs/dbraw/zinc/12/16/03/572121603.db2.gz DTLFJIVEULXAFV-HTRCEHHLSA-N 0 0 144.189 2.126 10 30 AEEERN N#CCn1ncc2cc(Cl)ccc21 196194140 572121719 /nfs/dbraw/zinc/12/17/19/572121719.db2.gz YLCWNGFQGYKLQG-UHFFFAOYSA-N 0 0 191.621 2.213 10 30 AEEERN C=CC(C)(C)C(=O)C(C)C 196194375 572121763 /nfs/dbraw/zinc/12/17/63/572121763.db2.gz HMQVGEIOFXYRDG-UHFFFAOYSA-N 0 0 140.226 2.424 10 30 AEEERN C#C[C@H](Nc1cc(C#N)ccn1)C(C)C 300947894 572121783 /nfs/dbraw/zinc/12/17/83/572121783.db2.gz PJFKTWKENZAWEZ-NSHDSACASA-N 0 0 199.257 2.023 10 30 AEEERN C=CCC[C@@]1(CO)CCCCC[C@H]1O 215114025 572121786 /nfs/dbraw/zinc/12/17/86/572121786.db2.gz UMMSPJCSFCRFNB-NEPJUHHUSA-N 0 0 198.306 2.256 10 30 AEEERN CC1=C(C)C(C)=C(C)C1=O 196199447 572121837 /nfs/dbraw/zinc/12/18/37/572121837.db2.gz UKQVTAOVYXWPSK-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CSc1ncccc1C1(C#N)CC1 214610622 572121888 /nfs/dbraw/zinc/12/18/88/572121888.db2.gz KAOBEIBTLKYZRL-UHFFFAOYSA-N 0 0 190.271 2.359 10 30 AEEERN C=C[C@H](C)ON[C@@H](C)C1CCC1 400954995 572123160 /nfs/dbraw/zinc/12/31/60/572123160.db2.gz ZHYANNDZHBKWIN-IUCAKERBSA-N 0 0 169.268 2.271 10 30 AEEERN C=C[C@@H](C)ON[C@H](C)C1CCC1 400954996 572123728 /nfs/dbraw/zinc/12/37/28/572123728.db2.gz ZHYANNDZHBKWIN-RKDXNWHRSA-N 0 0 169.268 2.271 10 30 AEEERN C=C[C@H](C)ON[C@H](C)C1CCC1 400954993 572124472 /nfs/dbraw/zinc/12/44/72/572124472.db2.gz ZHYANNDZHBKWIN-DTWKUNHWSA-N 0 0 169.268 2.271 10 30 AEEERN C=C[C@H](C)ONCc1ccccc1F 400957390 572125010 /nfs/dbraw/zinc/12/50/10/572125010.db2.gz XFVZLKREOMZHIX-VIFPVBQESA-N 0 0 195.237 2.421 10 30 AEEERN O=C1C=C(Nc2ccccc2)SC1 196181997 572125711 /nfs/dbraw/zinc/12/57/11/572125711.db2.gz RAYKYACEHHVKPD-UHFFFAOYSA-N 0 0 191.255 2.256 10 30 AEEERN C[C@H]1C=C([Si](C)(C)C)C(=O)C1 196182383 572125960 /nfs/dbraw/zinc/12/59/60/572125960.db2.gz PYVZFVJBUYFZAG-SSDOTTSWSA-N 0 0 168.312 2.399 10 30 AEEERN C=C[C@H](C)[C@@H](O)[C@@H](C)CC 196182668 572126151 /nfs/dbraw/zinc/12/61/51/572126151.db2.gz MVTVDAPLCOTIFV-XHNCKOQMSA-N 0 0 142.242 2.216 10 30 AEEERN O=C[C@H]1CCCc2ccccc2C1 196183158 572126263 /nfs/dbraw/zinc/12/62/63/572126263.db2.gz WROFWWFJQUYRCM-JTQLQIEISA-N 0 0 174.243 2.381 10 30 AEEERN C=C[C@H](C)ON[C@H](C)c1cncs1 400965007 572126421 /nfs/dbraw/zinc/12/64/21/572126421.db2.gz BEGNEZAAOQTXIV-JGVFFNPUSA-N 0 0 198.291 2.300 10 30 AEEERN C=C[C@@H](C)ON[C@@H](C)c1cncs1 400965014 572126516 /nfs/dbraw/zinc/12/65/16/572126516.db2.gz BEGNEZAAOQTXIV-SFYZADRCSA-N 0 0 198.291 2.300 10 30 AEEERN O=C[C@@H]1CCCc2ccccc2C1 196183167 572126747 /nfs/dbraw/zinc/12/67/47/572126747.db2.gz WROFWWFJQUYRCM-SNVBAGLBSA-N 0 0 174.243 2.381 10 30 AEEERN C=C1CCC[C@@H]2C(=O)CC[C@@H]12 196181610 572126801 /nfs/dbraw/zinc/12/68/01/572126801.db2.gz RAKYMQIRVPGRPD-IUCAKERBSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@H](C)[C@H](O)[C@@H](C)CC 196182686 572126863 /nfs/dbraw/zinc/12/68/63/572126863.db2.gz MVTVDAPLCOTIFV-CIUDSAMLSA-N 0 0 142.242 2.216 10 30 AEEERN C#Cc1ccccc1C(=O)OC(C)C 196183796 572126871 /nfs/dbraw/zinc/12/68/71/572126871.db2.gz MDBLILJBFOVLRZ-UHFFFAOYSA-N 0 0 188.226 2.233 10 30 AEEERN CCCCCC1=CC(=O)CO1 196184949 572126937 /nfs/dbraw/zinc/12/69/37/572126937.db2.gz KZNWZOGXWBIIJX-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN C=C1CCC[C@H]2C(=O)CC[C@@H]12 196181603 572126996 /nfs/dbraw/zinc/12/69/96/572126996.db2.gz RAKYMQIRVPGRPD-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN CSCC1=CCCCC1=O 196184932 572127181 /nfs/dbraw/zinc/12/71/81/572127181.db2.gz SHBJSJGXEFANBP-UHFFFAOYSA-N 0 0 156.250 2.029 10 30 AEEERN C[C@@H]1C=C([Si](C)(C)C)C(=O)C1 196182393 572127183 /nfs/dbraw/zinc/12/71/83/572127183.db2.gz PYVZFVJBUYFZAG-ZETCQYMHSA-N 0 0 168.312 2.399 10 30 AEEERN C=C1CCC[C@H]2C(=O)CC[C@H]12 196181592 572127246 /nfs/dbraw/zinc/12/72/46/572127246.db2.gz RAKYMQIRVPGRPD-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN C=C1CCC[C@@H]2C(=O)CC[C@H]12 196181599 572127294 /nfs/dbraw/zinc/12/72/94/572127294.db2.gz RAKYMQIRVPGRPD-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)CC1=CC(=O)C(C)(C)O1 196184958 572127333 /nfs/dbraw/zinc/12/73/33/572127333.db2.gz OIAXPLRHUAINRW-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN CCCCN(C)[C@H](C#N)C(C)C 71496369 572127475 /nfs/dbraw/zinc/12/74/75/572127475.db2.gz DIKIKTGILYLCBT-SNVBAGLBSA-N 0 0 168.284 2.266 10 30 AEEERN CC(C)[C@H](C)[S@@](=O)[C@H](C)CC#N 300339516 572127737 /nfs/dbraw/zinc/12/77/37/572127737.db2.gz MSQMLHOZQRJPDK-PTRXPTGYSA-N 0 0 187.308 2.082 10 30 AEEERN CC[C@H](C#N)N[C@H](C)CC1CC1 69664851 572128324 /nfs/dbraw/zinc/12/83/24/572128324.db2.gz MTNUGPQKKXMBBB-PSASIEDQSA-N 0 0 166.268 2.067 10 30 AEEERN COCc1cccc(O[C@@H](C)C#N)c1 69637939 572128435 /nfs/dbraw/zinc/12/84/35/572128435.db2.gz AUPBLNWPHXDOLA-VIFPVBQESA-N 0 0 191.230 2.124 10 30 AEEERN CC(C)[C@H](C)[S@](=O)[C@H](C)CC#N 300339518 572128480 /nfs/dbraw/zinc/12/84/80/572128480.db2.gz MSQMLHOZQRJPDK-VDDIYKPWSA-N 0 0 187.308 2.082 10 30 AEEERN CC[C@H](C)C[S@](=O)[C@H](C)CC#N 300339075 572128620 /nfs/dbraw/zinc/12/86/20/572128620.db2.gz LNEWXDCQYXNHQQ-SBMIAAHKSA-N 0 0 187.308 2.083 10 30 AEEERN CC[C@H](C)C[S@@](=O)[C@H](C#N)CC 300339267 572128633 /nfs/dbraw/zinc/12/86/33/572128633.db2.gz MGSMJMHYFVCAGI-HOTUBEGUSA-N 0 0 187.308 2.083 10 30 AEEERN COCc1cccc(OCCC#N)c1 69637936 572129401 /nfs/dbraw/zinc/12/94/01/572129401.db2.gz XEQKMYZNUAJPHL-UHFFFAOYSA-N 0 0 191.230 2.125 10 30 AEEERN CCC[C@](C#N)(CC)O[C@H](C)[C@H](C)O 300353121 572129473 /nfs/dbraw/zinc/12/94/73/572129473.db2.gz UKFRYTSDDBFYFC-AXFHLTTASA-N 0 0 199.294 2.245 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)CC1CC1 69664842 572129786 /nfs/dbraw/zinc/12/97/86/572129786.db2.gz MTNUGPQKKXMBBB-WPRPVWTQSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)CC1CC1 69664843 572129915 /nfs/dbraw/zinc/12/99/15/572129915.db2.gz MTNUGPQKKXMBBB-WCBMZHEXSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1C[C@@H](C)CC(C#N)(NC2CC2)C1 82831062 572129930 /nfs/dbraw/zinc/12/99/30/572129930.db2.gz SVYQKHXMLMTNJP-DHHPTOIESA-N 0 0 192.306 2.457 10 30 AEEERN CCC[C@](C#N)(CC)O[C@@H](C)[C@H](C)O 300353122 572130050 /nfs/dbraw/zinc/13/00/50/572130050.db2.gz UKFRYTSDDBFYFC-DCAQKATOSA-N 0 0 199.294 2.245 10 30 AEEERN C=CCNC1(C#N)C[C@@H](C)C[C@@H](C)C1 82831144 572130428 /nfs/dbraw/zinc/13/04/28/572130428.db2.gz XTLZKCDUTAIBKA-FOSCPWQOSA-N 0 0 192.306 2.480 10 30 AEEERN CC[C@H](CC1CC1)N[C@H](C)C#N 69672597 572130688 /nfs/dbraw/zinc/13/06/88/572130688.db2.gz RJILXWGDHAYPAW-PSASIEDQSA-N 0 0 166.268 2.067 10 30 AEEERN CCNC1(C#N)C[C@@H](C)C[C@@H](C)C1 82831053 572130874 /nfs/dbraw/zinc/13/08/74/572130874.db2.gz WSCLDMWRVBJECP-ZACCUICWSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1C/C(=N\O)CC[C@H]1C 82839353 572130979 /nfs/dbraw/zinc/13/09/79/572130979.db2.gz DWUJEJVKWCWSQY-PNZIDKJXSA-N 0 0 141.214 2.273 10 30 AEEERN C#CCC1(O)C[C@@H](C)C[C@@H](C)C1 82831572 572131008 /nfs/dbraw/zinc/13/10/08/572131008.db2.gz IEFJFAWOEBOHQI-ZACCUICWSA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@@H](C#N)N[C@@H](CC)CC1CC1 69672429 572131111 /nfs/dbraw/zinc/13/11/11/572131111.db2.gz VXKVTXVPCKGDRD-QWRGUYRKSA-N 0 0 180.295 2.457 10 30 AEEERN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CC#N 300357722 572131150 /nfs/dbraw/zinc/13/11/50/572131150.db2.gz NCSAIMUHODPBCW-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CC#N 300357721 572131417 /nfs/dbraw/zinc/13/14/17/572131417.db2.gz NCSAIMUHODPBCW-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1C[C@@H](C)CC(C#N)(N(C)C)C1 82831809 572131367 /nfs/dbraw/zinc/13/13/67/572131367.db2.gz IUNFXFBEBBRYNR-ZACCUICWSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@@H](CC1CC1)N[C@@H](C)C#N 69672586 572131404 /nfs/dbraw/zinc/13/14/04/572131404.db2.gz RJILXWGDHAYPAW-WPRPVWTQSA-N 0 0 166.268 2.067 10 30 AEEERN C=CCCOc1ccc(C)nc1C=O 82821902 572131409 /nfs/dbraw/zinc/13/14/09/572131409.db2.gz IGSIPUVRPBTYCW-UHFFFAOYSA-N 0 0 191.230 2.157 10 30 AEEERN CC[C@H](C#N)[S@](=O)[C@H](C)C(C)C 300342017 572131552 /nfs/dbraw/zinc/13/15/52/572131552.db2.gz ZJLICAXMYZVKBC-KBVBSXBZSA-N 0 0 187.308 2.082 10 30 AEEERN C[C@@H]1CC(N(C)CC#N)C[C@H](C)C1 82832724 572131670 /nfs/dbraw/zinc/13/16/70/572131670.db2.gz ORIURKQKGYTYOC-ZACCUICWSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@H](C#N)N[C@H](CC)CC1CC1 69672436 572131687 /nfs/dbraw/zinc/13/16/87/572131687.db2.gz VXKVTXVPCKGDRD-GHMZBOCLSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](CC1CC1)N[C@H](C)C#N 69672593 572131756 /nfs/dbraw/zinc/13/17/56/572131756.db2.gz RJILXWGDHAYPAW-SCZZXKLOSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)[S@@](=O)[C@H](C)C(C)C 300342018 572131834 /nfs/dbraw/zinc/13/18/34/572131834.db2.gz ZJLICAXMYZVKBC-LNLATYFQSA-N 0 0 187.308 2.082 10 30 AEEERN C#CC[C@@]1(O)CC[C@@H](C)[C@@H](C)C1 82838970 572132064 /nfs/dbraw/zinc/13/20/64/572132064.db2.gz YUPVADAGRQGMSM-OUAUKWLOSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@@H]1CC(OCC#N)C[C@H](C)C1 82834458 572132177 /nfs/dbraw/zinc/13/21/77/572132177.db2.gz QWAVECFIDHSAFH-ULKQDVFKSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@@H]1CC(OCCC=O)C[C@H](C)C1 82834517 572132316 /nfs/dbraw/zinc/13/23/16/572132316.db2.gz RVCFYVGPHQBXEP-ZACCUICWSA-N 0 0 184.279 2.417 10 30 AEEERN CC[C@H](CC1CC1)N[C@@H](C)C#N 69672590 572132493 /nfs/dbraw/zinc/13/24/93/572132493.db2.gz RJILXWGDHAYPAW-WCBMZHEXSA-N 0 0 166.268 2.067 10 30 AEEERN C#CC[C@@]1(O)CC[C@H](C)[C@@H](C)C1 82838973 572132498 /nfs/dbraw/zinc/13/24/98/572132498.db2.gz YUPVADAGRQGMSM-GARJFASQSA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@@H](C#N)N[C@H](CC)CC1CC1 69672431 572132584 /nfs/dbraw/zinc/13/25/84/572132584.db2.gz VXKVTXVPCKGDRD-MNOVXSKESA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](CC1CC1)N[C@@H](C#N)CC 69672435 572132670 /nfs/dbraw/zinc/13/26/70/572132670.db2.gz VXKVTXVPCKGDRD-WDEREUQCSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CC[C@H](SC)C1 300359988 572132691 /nfs/dbraw/zinc/13/26/91/572132691.db2.gz QYMPTWDYHHOVSW-BBBLOLIVSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@@H]1CC(OCCC=O)C[C@@H](C)C1 82834518 572132710 /nfs/dbraw/zinc/13/27/10/572132710.db2.gz RVCFYVGPHQBXEP-UWVGGRQHSA-N 0 0 184.279 2.417 10 30 AEEERN CC[C@H](C#N)N[C@H]1CC[C@H](SC)C1 300359989 572133090 /nfs/dbraw/zinc/13/30/90/572133090.db2.gz QYMPTWDYHHOVSW-UTLUCORTSA-N 0 0 198.335 2.162 10 30 AEEERN C=CCCCOc1cc(C)c(N)cn1 300952658 572133117 /nfs/dbraw/zinc/13/31/17/572133117.db2.gz LZMIGOCXKJPEFG-UHFFFAOYSA-N 0 0 192.262 2.317 10 30 AEEERN C[C@H]1CC(OCCC=O)C[C@H](C)C1 82834519 572133202 /nfs/dbraw/zinc/13/32/02/572133202.db2.gz RVCFYVGPHQBXEP-NXEZZACHSA-N 0 0 184.279 2.417 10 30 AEEERN C=CCN[C@@]1(C#N)CC[C@@H](C)[C@@H](C)C1 82838174 572133718 /nfs/dbraw/zinc/13/37/18/572133718.db2.gz ZGQJVSMWGUHYIH-WOPDTQHZSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@H]1CC[C@](C#N)(NC2CC2)C[C@@H]1C 82838049 572133784 /nfs/dbraw/zinc/13/37/84/572133784.db2.gz KEJQYYIPBRJRSV-NHCYSSNCSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@@H]1CC(OC[C@@H]2CO2)C[C@H](C)C1 82834387 572134142 /nfs/dbraw/zinc/13/41/42/572134142.db2.gz DDHQDNQJAGDEDD-KJLIAQIISA-N 0 0 184.279 2.227 10 30 AEEERN C=CCN[C@@]1(C#N)CC[C@H](C)[C@@H](C)C1 82838176 572134188 /nfs/dbraw/zinc/13/41/88/572134188.db2.gz ZGQJVSMWGUHYIH-SRVKXCTJSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@H]1CC[C@@](C#N)(NC2CC2)C[C@@H]1C 82838045 572134267 /nfs/dbraw/zinc/13/42/67/572134267.db2.gz KEJQYYIPBRJRSV-JBLDHEPKSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@@H]1CC(N[C@@H](C)C#N)C[C@H](C)C1 82835084 572134239 /nfs/dbraw/zinc/13/42/39/572134239.db2.gz DLIMEHHDSRBCSC-JDUUOCRZSA-N 0 0 180.295 2.313 10 30 AEEERN CC#CCCC(=O)[C@@H]1CCO[C@H]1CC 300377755 572137398 /nfs/dbraw/zinc/13/73/98/572137398.db2.gz KRVBKGGQFLNFTN-JQWIXIFHSA-N 0 0 194.274 2.174 10 30 AEEERN C=CCCCCN[S@@](=O)C(C)C 687787315 572136283 /nfs/dbraw/zinc/13/62/83/572136283.db2.gz ULTKSIAVEZZPCI-LBPRGKRZSA-N 0 0 189.324 2.004 10 30 AEEERN C=CCCCCN[S@](=O)C(C)C 687787314 572136329 /nfs/dbraw/zinc/13/63/29/572136329.db2.gz ULTKSIAVEZZPCI-GFCCVEGCSA-N 0 0 189.324 2.004 10 30 AEEERN O=CCCCCC1(O)CCCCC1 113614305 572138027 /nfs/dbraw/zinc/13/80/27/572138027.db2.gz NEFJKKLQDYVQLA-UHFFFAOYSA-N 0 0 184.279 2.441 10 30 AEEERN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C#N 300379354 572139505 /nfs/dbraw/zinc/13/95/05/572139505.db2.gz CBAREWIMMVXHER-KXUCPTDWSA-N 0 0 198.335 2.162 10 30 AEEERN C=CCC[C@H](O)[C@H]1CCO[C@H]1CC 300368109 572139059 /nfs/dbraw/zinc/13/90/59/572139059.db2.gz AXCPTXOFKGDNTO-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN CCSCC[C@@]1(C#N)CCCOC1 300361900 572139663 /nfs/dbraw/zinc/13/96/63/572139663.db2.gz BFXGRRANZOCSQB-SNVBAGLBSA-N 0 0 199.319 2.450 10 30 AEEERN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C#N 300379352 572140141 /nfs/dbraw/zinc/14/01/41/572140141.db2.gz CBAREWIMMVXHER-IVZWLZJFSA-N 0 0 198.335 2.162 10 30 AEEERN C=CCC[C@H](O)[C@@H]1CCO[C@H]1CC 300368108 572140179 /nfs/dbraw/zinc/14/01/79/572140179.db2.gz AXCPTXOFKGDNTO-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN CCS[C@@H]1CCC[C@H]1N[C@H](C)C#N 300379356 572140637 /nfs/dbraw/zinc/14/06/37/572140637.db2.gz CBAREWIMMVXHER-OPRDCNLKSA-N 0 0 198.335 2.162 10 30 AEEERN N#C[C@@]12CCC[C@H]1CCCC2=O 35244230 572140886 /nfs/dbraw/zinc/14/08/86/572140886.db2.gz QLDACBBVOBVCCA-SCZZXKLOSA-N 0 0 163.220 2.049 10 30 AEEERN N#C[C@]12CCC[C@H]1CCCC2=O 35244238 572141225 /nfs/dbraw/zinc/14/12/25/572141225.db2.gz QLDACBBVOBVCCA-PSASIEDQSA-N 0 0 163.220 2.049 10 30 AEEERN C#CCCCC(=O)[C@@H]1CCO[C@H]1CC 300375436 572141235 /nfs/dbraw/zinc/14/12/35/572141235.db2.gz ITKBPWTUSLXVMI-JQWIXIFHSA-N 0 0 194.274 2.174 10 30 AEEERN C#CCCNc1cnnc2ccccc12 69790967 572144581 /nfs/dbraw/zinc/14/45/81/572144581.db2.gz YBJZQDWNOHBZOO-UHFFFAOYSA-N 0 0 197.241 2.065 10 30 AEEERN CCN(CC#N)CCc1ccsc1 69790631 572144632 /nfs/dbraw/zinc/14/46/32/572144632.db2.gz HUTFCPZMGLDPGC-UHFFFAOYSA-N 0 0 194.303 2.136 10 30 AEEERN CN(CCC#N)CCc1ccsc1 69790621 572144683 /nfs/dbraw/zinc/14/46/83/572144683.db2.gz YBVYATVLDLHPEM-UHFFFAOYSA-N 0 0 194.303 2.136 10 30 AEEERN C#CCCNc1ncnc2ccccc12 69790859 572144736 /nfs/dbraw/zinc/14/47/36/572144736.db2.gz MOMGYFDUJNNMII-UHFFFAOYSA-N 0 0 197.241 2.065 10 30 AEEERN C[C@@H](C#N)N(C)CCc1ccsc1 69790634 572144790 /nfs/dbraw/zinc/14/47/90/572144790.db2.gz QTLONZXQPKPSNM-VIFPVBQESA-N 0 0 194.303 2.134 10 30 AEEERN C#CCCNc1nncc2ccccc12 69790804 572144800 /nfs/dbraw/zinc/14/48/00/572144800.db2.gz SVVMMWOYJVZNME-UHFFFAOYSA-N 0 0 197.241 2.065 10 30 AEEERN C#CCCNc1cnc2ccccc2n1 69790824 572144841 /nfs/dbraw/zinc/14/48/41/572144841.db2.gz FFNYKVQZWQHPPJ-UHFFFAOYSA-N 0 0 197.241 2.065 10 30 AEEERN C[C@H](C#N)N(C)CCc1ccsc1 69790636 572144869 /nfs/dbraw/zinc/14/48/69/572144869.db2.gz QTLONZXQPKPSNM-SECBINFHSA-N 0 0 194.303 2.134 10 30 AEEERN CCC[C@@H]1C[C@@H]1N[C@H](C#N)CC 300376293 572144989 /nfs/dbraw/zinc/14/49/89/572144989.db2.gz DRADJYRNOUNSPP-UTLUCORTSA-N 0 0 166.268 2.067 10 30 AEEERN C=C(C(C)=O)[C@H](O)c1ccc(F)cc1 35275130 572145603 /nfs/dbraw/zinc/14/56/03/572145603.db2.gz UONXILNJMZXQLG-NSHDSACASA-N 0 0 194.205 2.004 10 30 AEEERN CCC[C@@H]1C[C@@H]1N[C@@H](C#N)CC 300376290 572145722 /nfs/dbraw/zinc/14/57/22/572145722.db2.gz DRADJYRNOUNSPP-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN O=CCOCC1CCCCCC1 300957604 572145851 /nfs/dbraw/zinc/14/58/51/572145851.db2.gz PXQWGOAZGZWICB-UHFFFAOYSA-N 0 0 170.252 2.172 10 30 AEEERN CCC[C@@H]1C[C@H]1N[C@H](C#N)CC 300376292 572146180 /nfs/dbraw/zinc/14/61/80/572146180.db2.gz DRADJYRNOUNSPP-KXUCPTDWSA-N 0 0 166.268 2.067 10 30 AEEERN C=C(C(C)=O)[C@@H](O)c1ccc(F)cc1 35275134 572146506 /nfs/dbraw/zinc/14/65/06/572146506.db2.gz UONXILNJMZXQLG-LLVKDONJSA-N 0 0 194.205 2.004 10 30 AEEERN C=C(C)C[C@H](O)[C@H]1CCO[C@H]1CC 300383004 572149203 /nfs/dbraw/zinc/14/92/03/572149203.db2.gz OVHQUCUJCYNNSW-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN CC1=C2CCC[C@H]2CC1=O 18317009 572147385 /nfs/dbraw/zinc/14/73/85/572147385.db2.gz JGJPPHHPGVPFFQ-ZETCQYMHSA-N 0 0 136.194 2.076 10 30 AEEERN C[C@H]1CC[C@H](OCC#N)C[C@@H]1C 82840705 572149213 /nfs/dbraw/zinc/14/92/13/572149213.db2.gz FNLDVXXRDRLWOY-GUBZILKMSA-N 0 0 167.252 2.351 10 30 AEEERN Cc1ccc(-n2cc(C)cn2)c(C#N)c1 235875511 572147796 /nfs/dbraw/zinc/14/77/96/572147796.db2.gz RQEDKCJWTYQLLL-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=C(C)C[C@H](O)[C@@H]1CCO[C@H]1CC 300383003 572147930 /nfs/dbraw/zinc/14/79/30/572147930.db2.gz OVHQUCUJCYNNSW-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC[C@H]1SC 300384427 572149574 /nfs/dbraw/zinc/14/95/74/572149574.db2.gz IVRUARFYHMJPSZ-KXUCPTDWSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@H]1C[C@@H](OCCC=O)CC[C@H]1C 82840996 572149716 /nfs/dbraw/zinc/14/97/16/572149716.db2.gz RHRWTRDBTBODHP-VWYCJHECSA-N 0 0 184.279 2.417 10 30 AEEERN C[C@H]1CC[C@]2(CO2)C[C@@H]1C 82839491 572149755 /nfs/dbraw/zinc/14/97/55/572149755.db2.gz ZZHZYHLICBWABB-XHNCKOQMSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1CC[C@H](OCC=O)C[C@@H]1C 82840938 572149876 /nfs/dbraw/zinc/14/98/76/572149876.db2.gz KYFOWUNWRYOWFD-GUBZILKMSA-N 0 0 170.252 2.027 10 30 AEEERN CCS[C@@H]1CC[C@H](N[C@H](C)C#N)C1 300386807 572150307 /nfs/dbraw/zinc/15/03/07/572150307.db2.gz LTQIUJFRLNPUGK-KXUCPTDWSA-N 0 0 198.335 2.162 10 30 AEEERN CCS[C@@H]1CC[C@@H](N[C@H](C)C#N)C1 300386809 572150341 /nfs/dbraw/zinc/15/03/41/572150341.db2.gz LTQIUJFRLNPUGK-OPRDCNLKSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@H]1CC[C@@H](OCC#N)C[C@@H]1C 82840709 572150471 /nfs/dbraw/zinc/15/04/71/572150471.db2.gz FNLDVXXRDRLWOY-LPEHRKFASA-N 0 0 167.252 2.351 10 30 AEEERN C[C@H]1CC[C@@]2(CO2)C[C@@H]1C 82839495 572150591 /nfs/dbraw/zinc/15/05/91/572150591.db2.gz ZZHZYHLICBWABB-CIUDSAMLSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1CC[C@H](OCCC=O)C[C@@H]1C 82840999 572150723 /nfs/dbraw/zinc/15/07/23/572150723.db2.gz RHRWTRDBTBODHP-DCAQKATOSA-N 0 0 184.279 2.417 10 30 AEEERN CO[C@@H]1CCC[C@@H](OCCCC#N)C1 69848660 572151051 /nfs/dbraw/zinc/15/10/51/572151051.db2.gz MDIMVSYMGKKRLJ-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN CCS[C@@H]1CC[C@@H](N[C@@H](C)C#N)C1 300386806 572151333 /nfs/dbraw/zinc/15/13/33/572151333.db2.gz LTQIUJFRLNPUGK-IVZWLZJFSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@H]1CC[C@@H](OCC=O)C[C@@H]1C 82840940 572151427 /nfs/dbraw/zinc/15/14/27/572151427.db2.gz KYFOWUNWRYOWFD-LPEHRKFASA-N 0 0 170.252 2.027 10 30 AEEERN C[C@H]1CC[C@@H](OCCC=O)C[C@@H]1C 82841004 572151474 /nfs/dbraw/zinc/15/14/74/572151474.db2.gz RHRWTRDBTBODHP-GARJFASQSA-N 0 0 184.279 2.417 10 30 AEEERN CCCCC[C@@H]1CC(=O)C=CO1 69850394 572151868 /nfs/dbraw/zinc/15/18/68/572151868.db2.gz QIWXWAKHFMFSBO-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN CO[C@H]1CCC[C@@H](OCCCC#N)C1 69848663 572152006 /nfs/dbraw/zinc/15/20/06/572152006.db2.gz MDIMVSYMGKKRLJ-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN C[C@H]1CC[C@H](C=O)C[C@@H]1C 82843326 572152763 /nfs/dbraw/zinc/15/27/63/572152763.db2.gz RDYPINYAOMHGON-CIUDSAMLSA-N 0 0 140.226 2.258 10 30 AEEERN CO[C@H]1CCC[C@H](OCCCC#N)C1 69848658 572152106 /nfs/dbraw/zinc/15/21/06/572152106.db2.gz MDIMVSYMGKKRLJ-QWRGUYRKSA-N 0 0 197.278 2.264 10 30 AEEERN CCS[C@@H]1CC[C@H](N[C@@H](C)C#N)C1 300386808 572152165 /nfs/dbraw/zinc/15/21/65/572152165.db2.gz LTQIUJFRLNPUGK-LPEHRKFASA-N 0 0 198.335 2.162 10 30 AEEERN CCCCC[C@H]1CC(=O)C=CO1 69850395 572152519 /nfs/dbraw/zinc/15/25/19/572152519.db2.gz QIWXWAKHFMFSBO-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN C[C@H](C#N)CC(=O)c1cccc(C#N)c1 43368245 572152531 /nfs/dbraw/zinc/15/25/31/572152531.db2.gz LMONUUBIXJASFN-VIFPVBQESA-N 0 0 198.225 2.291 10 30 AEEERN C[C@H]1CC[C@@H](C=O)C[C@@H]1C 82843337 572152632 /nfs/dbraw/zinc/15/26/32/572152632.db2.gz RDYPINYAOMHGON-XHNCKOQMSA-N 0 0 140.226 2.258 10 30 AEEERN CO[C@@H]1CCC[C@H](OCCCC#N)C1 69848656 572152610 /nfs/dbraw/zinc/15/26/10/572152610.db2.gz MDIMVSYMGKKRLJ-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN C[C@H]1CC[C@@H](N(C)CC#N)C[C@@H]1C 82841888 572153158 /nfs/dbraw/zinc/15/31/58/572153158.db2.gz QUULHGFLCGWZGK-GARJFASQSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CC[C@H](N(C)CC#N)C[C@@H]1C 82841886 572153237 /nfs/dbraw/zinc/15/32/37/572153237.db2.gz QUULHGFLCGWZGK-DCAQKATOSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H](C#N)CC(=O)c1cccc(C#N)c1 43368246 572153317 /nfs/dbraw/zinc/15/33/17/572153317.db2.gz LMONUUBIXJASFN-SECBINFHSA-N 0 0 198.225 2.291 10 30 AEEERN C#CCC[C@]1(O)CCO[C@H](CCC)C1 69896145 572153781 /nfs/dbraw/zinc/15/37/81/572153781.db2.gz WAPQWCRDRDTGDP-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN O=CC1C[C@H]2CCC[C@@H]2C1 18425568 572153821 /nfs/dbraw/zinc/15/38/21/572153821.db2.gz ZAOKSGRIAGOZJA-RKDXNWHRSA-N 0 0 138.210 2.012 10 30 AEEERN CCN[C@@]1(C#N)C[C@H](C)CC[C@@H]1C 82860163 572154646 /nfs/dbraw/zinc/15/46/46/572154646.db2.gz MWLFFTWNTGJXAS-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1CC2=C(CCC2)C1=O 18414423 572154818 /nfs/dbraw/zinc/15/48/18/572154818.db2.gz SITGCSUFXWGFEP-LURJTMIESA-N 0 0 136.194 2.076 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@H](C)[C@@H]1C 82860155 572155141 /nfs/dbraw/zinc/15/51/41/572155141.db2.gz PPMPFGQUZDCRAS-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN C#CCC[C@@]1(O)CCO[C@@H](CCC)C1 69896152 572155235 /nfs/dbraw/zinc/15/52/35/572155235.db2.gz WAPQWCRDRDTGDP-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN C#CCC[C@@]1(O)CCO[C@H](CCC)C1 69896149 572155513 /nfs/dbraw/zinc/15/55/13/572155513.db2.gz WAPQWCRDRDTGDP-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN C=CCN[C@@]1(C#N)CCC[C@H](C)[C@H]1C 82860385 572155718 /nfs/dbraw/zinc/15/57/18/572155718.db2.gz QNEZJCIEJWGKIV-QJPTWQEYSA-N 0 0 192.306 2.480 10 30 AEEERN CCC(=O)[C@@H](C#N)CC(C)C 43374820 572155934 /nfs/dbraw/zinc/15/59/34/572155934.db2.gz UABGUJLBHORSLP-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN CCN[C@@]1(C#N)CC[C@H](C)C[C@@H]1C 82860159 572155974 /nfs/dbraw/zinc/15/59/74/572155974.db2.gz YXWKCLRFMGBOTH-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1CCC[C@](C#N)(NC2CC2)[C@@H]1C 82860193 572156322 /nfs/dbraw/zinc/15/63/22/572156322.db2.gz NQFFSXGYZZZROD-HOSYDEDBSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H]1CN([C@@H](C)CC#N)C[C@H](C)S1 69908485 572156560 /nfs/dbraw/zinc/15/65/60/572156560.db2.gz DSAGKCFTRYXAIF-GUBZILKMSA-N 0 0 198.335 2.114 10 30 AEEERN C[C@H]1CCC[C@@](C#N)(NC2CC2)[C@@H]1C 82860191 572156589 /nfs/dbraw/zinc/15/65/89/572156589.db2.gz NQFFSXGYZZZROD-UMNHJUIQSA-N 0 0 192.306 2.457 10 30 AEEERN CCN[C@@]1(C#N)CC[C@@H](C)C[C@@H]1C 82860161 572156626 /nfs/dbraw/zinc/15/66/26/572156626.db2.gz YXWKCLRFMGBOTH-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1CCC/C(=N/O)[C@@H]1C 82862181 572157111 /nfs/dbraw/zinc/15/71/11/572157111.db2.gz RGQGBBZQUIKKSP-KNJDTQEKSA-N 0 0 141.214 2.273 10 30 AEEERN C#CC[C@@]1(O)CCC[C@@H](C)[C@H]1C 82861070 572157116 /nfs/dbraw/zinc/15/71/16/572157116.db2.gz NMAPVJFXGXFABB-GMTAPVOTSA-N 0 0 166.264 2.197 10 30 AEEERN C=C(COC1CCCC1)C(=O)OCC 69906881 572157808 /nfs/dbraw/zinc/15/78/08/572157808.db2.gz XVGATJPIOCJHGK-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C[C@H]1CC[C@@H](C)[C@@](C#N)(N(C)C)C1 82861651 572157998 /nfs/dbraw/zinc/15/79/98/572157998.db2.gz AOCGNUXZLZOWFS-HBNTYKKESA-N 0 0 180.295 2.266 10 30 AEEERN C=C(CSCCC)C(=O)OCC 69907129 572158384 /nfs/dbraw/zinc/15/83/84/572158384.db2.gz HHUQPTVINJPFGL-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C[C@H]1CCC[C@@]2(CO2)[C@@H]1C 82862357 572158444 /nfs/dbraw/zinc/15/84/44/572158444.db2.gz RLUAATSHTNQEHA-DJLDLDEBSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1C[C@H](C)CC/C1=N/O 82862178 572158581 /nfs/dbraw/zinc/15/85/81/572158581.db2.gz XYJPFBJBHUORLA-PNZIDKJXSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@H]1CCC[C@]2(CO2)[C@@H]1C 82862355 572158759 /nfs/dbraw/zinc/15/87/59/572158759.db2.gz RLUAATSHTNQEHA-YIZRAAEISA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCC/C(=N/O)[C@@H]1C 82862180 572158764 /nfs/dbraw/zinc/15/87/64/572158764.db2.gz RGQGBBZQUIKKSP-UUBYVHIUSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@H]1CCC[C@@](C#N)(N(C)C)[C@@H]1C 82861653 572158767 /nfs/dbraw/zinc/15/87/67/572158767.db2.gz XNDAKSNFNOSMJJ-AXFHLTTASA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CC/C(=N/O)[C@@H](C)C1 82862179 572159144 /nfs/dbraw/zinc/15/91/44/572159144.db2.gz XYJPFBJBHUORLA-CMQPYUFFSA-N 0 0 141.214 2.273 10 30 AEEERN C#CC[C@@]1(O)CCC[C@H](C)[C@H]1C 82861071 572159216 /nfs/dbraw/zinc/15/92/16/572159216.db2.gz NMAPVJFXGXFABB-HBNTYKKESA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@H](C)n1ccc(CCC#N)n1 82876887 572159827 /nfs/dbraw/zinc/15/98/27/572159827.db2.gz UJTKTJCSWKUKBD-VIFPVBQESA-N 0 0 177.251 2.310 10 30 AEEERN CC(C)n1ccc(CC[C@@H](C)C=O)n1 82867132 572160042 /nfs/dbraw/zinc/16/00/42/572160042.db2.gz MKEKHHKIBVLPOE-SNVBAGLBSA-N 0 0 194.278 2.232 10 30 AEEERN CC[C@@H](C)n1ccc(CCCC=O)n1 82877474 572160147 /nfs/dbraw/zinc/16/01/47/572160147.db2.gz JDPAUIWFXQSFAQ-SNVBAGLBSA-N 0 0 194.278 2.376 10 30 AEEERN CCC(CC)n1ccc(CC#N)n1 82867471 572160615 /nfs/dbraw/zinc/16/06/15/572160615.db2.gz RCZJOSNLBNFAOC-UHFFFAOYSA-N 0 0 177.251 2.310 10 30 AEEERN CC(C)n1ccc(CC[C@H](C)C=O)n1 82867133 572161337 /nfs/dbraw/zinc/16/13/37/572161337.db2.gz MKEKHHKIBVLPOE-JTQLQIEISA-N 0 0 194.278 2.232 10 30 AEEERN CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)CC#N 300393272 572162131 /nfs/dbraw/zinc/16/21/31/572162131.db2.gz XPDKPHBRYCKELJ-GMTAPVOTSA-N 0 0 180.295 2.457 10 30 AEEERN CCCc1nccn1[C@@H](C)CC#N 69964056 572163421 /nfs/dbraw/zinc/16/34/21/572163421.db2.gz BGSYUQUYRDIXBX-VIFPVBQESA-N 0 0 177.251 2.310 10 30 AEEERN CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)CC#N 300393273 572163705 /nfs/dbraw/zinc/16/37/05/572163705.db2.gz XPDKPHBRYCKELJ-MXWKQRLJSA-N 0 0 180.295 2.457 10 30 AEEERN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)CC#N 300393274 572163973 /nfs/dbraw/zinc/16/39/73/572163973.db2.gz XPDKPHBRYCKELJ-VWYCJHECSA-N 0 0 180.295 2.457 10 30 AEEERN CCCc1nccn1[C@H](C)CC#N 69964057 572165028 /nfs/dbraw/zinc/16/50/28/572165028.db2.gz BGSYUQUYRDIXBX-SECBINFHSA-N 0 0 177.251 2.310 10 30 AEEERN CCCc1nccn1[C@H](C#N)CC 69963946 572165111 /nfs/dbraw/zinc/16/51/11/572165111.db2.gz OAELJUIJHZPVFN-VIFPVBQESA-N 0 0 177.251 2.310 10 30 AEEERN CC(=O)C[C@@](C)(C#N)C(C)C 18673732 572165501 /nfs/dbraw/zinc/16/55/01/572165501.db2.gz VODBRZWXAPNQMZ-VIFPVBQESA-N 0 0 153.225 2.151 10 30 AEEERN CC(=O)C[C@](C)(C#N)C(C)C 18673734 572165824 /nfs/dbraw/zinc/16/58/24/572165824.db2.gz VODBRZWXAPNQMZ-SECBINFHSA-N 0 0 153.225 2.151 10 30 AEEERN CCCCCCN[C@H](C)C#N 70019806 572165989 /nfs/dbraw/zinc/16/59/89/572165989.db2.gz ZTTWBBTXXSPAKG-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN C[C@H]1CCC2=C1CCC2=O 18738346 572166179 /nfs/dbraw/zinc/16/61/79/572166179.db2.gz BZUDJXIQAPEUDV-LURJTMIESA-N 0 0 136.194 2.076 10 30 AEEERN CCCCCCN[C@H](C#N)CC 70019793 572167582 /nfs/dbraw/zinc/16/75/82/572167582.db2.gz QRYJAOGINGGFBF-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN CC[C@H]1OCC[C@@H]1C(=O)C1=CCCC1 234067975 572168420 /nfs/dbraw/zinc/16/84/20/572168420.db2.gz NARQMCJNBCZWMF-WDEREUQCSA-N 0 0 194.274 2.481 10 30 AEEERN CC[C@H]1OCC[C@@H]1C(=O)C=C(C)C 234068267 572168535 /nfs/dbraw/zinc/16/85/35/572168535.db2.gz UIHVYRPKQILBPD-MWLCHTKSSA-N 0 0 182.263 2.337 10 30 AEEERN C=CCN(CC(F)(F)F)C1CC1 393346015 572168795 /nfs/dbraw/zinc/16/87/95/572168795.db2.gz CAFSFTRKWWFION-UHFFFAOYSA-N 0 0 179.185 2.199 10 30 AEEERN COC[C@@H](C#N)SCC(C)(C)C 393346275 572169009 /nfs/dbraw/zinc/16/90/09/572169009.db2.gz CHIGPCNDKGIBQM-MRVPVSSYSA-N 0 0 187.308 2.304 10 30 AEEERN O=C1C=Cc2cccc3[nH]cc1c23 78095115 572169398 /nfs/dbraw/zinc/16/93/98/572169398.db2.gz LLLIHPVDUXATEV-UHFFFAOYSA-N 0 0 169.183 2.377 10 30 AEEERN COC[C@H](C#N)SCC(C)(C)C 393346277 572170016 /nfs/dbraw/zinc/17/00/16/572170016.db2.gz CHIGPCNDKGIBQM-QMMMGPOBSA-N 0 0 187.308 2.304 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C1CCC1 393346456 572171283 /nfs/dbraw/zinc/17/12/83/572171283.db2.gz FBOFSHRFZRITJW-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@@H]1CCC[C@H]([C@@H]2CO2)C1 18879919 572171482 /nfs/dbraw/zinc/17/14/82/572171482.db2.gz ARZFNCSFLAAESI-VGMNWLOBSA-N 0 0 140.226 2.212 10 30 AEEERN CC[C@@H](CC#N)N(C)CC(F)(F)F 37664582 572171535 /nfs/dbraw/zinc/17/15/35/572171535.db2.gz PVMHJHVHZAMZDF-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C1CCC1 393346457 572172544 /nfs/dbraw/zinc/17/25/44/572172544.db2.gz FBOFSHRFZRITJW-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN CC[C@H](CC#N)N(C)CC(F)(F)F 37664583 572173510 /nfs/dbraw/zinc/17/35/10/572173510.db2.gz PVMHJHVHZAMZDF-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN C=CC[NH2+]Cc1ccc2c(c1)CCC2 70063394 572173927 /nfs/dbraw/zinc/17/39/27/572173927.db2.gz YGOZDHCJJBFESU-UHFFFAOYSA-N 0 0 187.286 2.451 10 30 AEEERN CC[C@H](C/C(N)=N/O)SC(C)C 37685818 572174098 /nfs/dbraw/zinc/17/40/98/572174098.db2.gz CTDXXWFTDKYZDS-SSDOTTSWSA-N 0 0 190.312 2.043 10 30 AEEERN C=C[C@H]1C[C@@H]1CCCC=O 19067258 572174202 /nfs/dbraw/zinc/17/42/02/572174202.db2.gz SRLUOUUDEXIDRX-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C#N)C[NH+](CC1CC1)CC1CC1 70064213 572174269 /nfs/dbraw/zinc/17/42/69/572174269.db2.gz INXPSIFOTWYBSL-SNVBAGLBSA-N 0 0 192.306 2.268 10 30 AEEERN C[C@@H](C#N)C[NH+](CC1CC1)CC1CC1 70064214 572174608 /nfs/dbraw/zinc/17/46/08/572174608.db2.gz INXPSIFOTWYBSL-JTQLQIEISA-N 0 0 192.306 2.268 10 30 AEEERN C=C[C@@H]1C[C@H]1CCCC=O 19067260 572174693 /nfs/dbraw/zinc/17/46/93/572174693.db2.gz SRLUOUUDEXIDRX-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCCC[C@@H]1C[C@@H]1C=O 19067276 572174728 /nfs/dbraw/zinc/17/47/28/572174728.db2.gz ROTIVXGLJVYAIK-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCCC[C@@H]1C[C@H]1C=O 19067282 572175165 /nfs/dbraw/zinc/17/51/65/572175165.db2.gz ROTIVXGLJVYAIK-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1C[C@@H]1CCCC=O 19067255 572175199 /nfs/dbraw/zinc/17/51/99/572175199.db2.gz SRLUOUUDEXIDRX-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](CC#N)[NH+](CC1CC1)CC1CC1 70064222 572175507 /nfs/dbraw/zinc/17/55/07/572175507.db2.gz AVNKBORCFOCLRV-SNVBAGLBSA-N 0 0 192.306 2.411 10 30 AEEERN C=CCCC[C@H]1C[C@H]1C=O 19067285 572175565 /nfs/dbraw/zinc/17/55/65/572175565.db2.gz ROTIVXGLJVYAIK-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN O=C[C@@H](C1CCCC1)C1CC1 19046755 572175634 /nfs/dbraw/zinc/17/56/34/572175634.db2.gz QFEYHUMDNLKCGS-JTQLQIEISA-N 0 0 152.237 2.402 10 30 AEEERN C[C@@H](CC#N)[NH+](CC1CC1)CC1CC1 70064221 572175604 /nfs/dbraw/zinc/17/56/04/572175604.db2.gz AVNKBORCFOCLRV-JTQLQIEISA-N 0 0 192.306 2.411 10 30 AEEERN C#CCCOc1ccc(CC)cc1N 70063325 572175723 /nfs/dbraw/zinc/17/57/23/572175723.db2.gz FWFQEZFATOFGPV-UHFFFAOYSA-N 0 0 189.258 2.233 10 30 AEEERN C=CCC[C@H](O)c1ccccc1N 82925007 572175726 /nfs/dbraw/zinc/17/57/26/572175726.db2.gz HCELMRSFRQGBEA-NSHDSACASA-N 0 0 177.247 2.268 10 30 AEEERN C=C[C@H](C)S[C@@H](C)[C@H](C)O 300332532 572175755 /nfs/dbraw/zinc/17/57/55/572175755.db2.gz KNQGOPPGOGSRKL-FXQIFTODSA-N 0 0 160.282 2.063 10 30 AEEERN CCC1=C(CC)C(=O)CC1 19047824 572175757 /nfs/dbraw/zinc/17/57/57/572175757.db2.gz FLCXXADDHWEBSV-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN O=C[C@H](C1CCCC1)C1CC1 19046757 572175798 /nfs/dbraw/zinc/17/57/98/572175798.db2.gz QFEYHUMDNLKCGS-SNVBAGLBSA-N 0 0 152.237 2.402 10 30 AEEERN Cc1ccc(-n2ncc(C#N)c2C)cc1 71507481 572175824 /nfs/dbraw/zinc/17/58/24/572175824.db2.gz OTLSSLOLNKZITJ-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CCCCC[C@H]1C[C@@H]1C=O 19065131 572175902 /nfs/dbraw/zinc/17/59/02/572175902.db2.gz ZZMVTAVCGXMGDH-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN CCCCC[C@@H]1C[C@@H]1C=O 19065128 572175929 /nfs/dbraw/zinc/17/59/29/572175929.db2.gz ZZMVTAVCGXMGDH-RKDXNWHRSA-N 0 0 140.226 2.402 10 30 AEEERN C=CC[C@]1(C)CCC=CC1=O 35822551 572185904 /nfs/dbraw/zinc/18/59/04/572185904.db2.gz MKQCSWXZTDWVMQ-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCCC(=O)c1ccccc1N 82924862 572176031 /nfs/dbraw/zinc/17/60/31/572176031.db2.gz BNIYZYYSZQQTPY-UHFFFAOYSA-N 0 0 175.231 2.418 10 30 AEEERN CC[C@@H](C/C(N)=N/O)SC(C)C 37685816 572176135 /nfs/dbraw/zinc/17/61/35/572176135.db2.gz CTDXXWFTDKYZDS-ZETCQYMHSA-N 0 0 190.312 2.043 10 30 AEEERN CCc1ccc(-n2cc(C#N)cn2)cc1 71507489 572176149 /nfs/dbraw/zinc/17/61/49/572176149.db2.gz SQYCXWCHBZMYIJ-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN C=CC1=C(CC)C(=O)CC1 19048639 572176252 /nfs/dbraw/zinc/17/62/52/572176252.db2.gz QGYOFTZSKKKSNM-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CCCCC[C@H]1C[C@H]1C=O 19065135 572176350 /nfs/dbraw/zinc/17/63/50/572176350.db2.gz ZZMVTAVCGXMGDH-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN Cc1ccccc1-n1ncc(C#N)c1C 71507479 572176397 /nfs/dbraw/zinc/17/63/97/572176397.db2.gz SQBVIWFAICIDTO-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN Cc1cc(C)cc(-n2cc(C#N)cn2)c1 71507485 572176522 /nfs/dbraw/zinc/17/65/22/572176522.db2.gz ICLTWCUVLFNOMP-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=C[C@H]1C[C@H]1CCCC=O 19067262 572176749 /nfs/dbraw/zinc/17/67/49/572176749.db2.gz SRLUOUUDEXIDRX-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCCC[C@H]1C[C@@H]1C=O 19067279 572176767 /nfs/dbraw/zinc/17/67/67/572176767.db2.gz ROTIVXGLJVYAIK-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1cccc(-n2ncc(C#N)c2C)c1 71507480 572177181 /nfs/dbraw/zinc/17/71/81/572177181.db2.gz YFONZZSZMGWUHM-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN O[C@H]1c2ccccc2C=C[C@@H]1S 35569671 572177284 /nfs/dbraw/zinc/17/72/84/572177284.db2.gz KVVJHFKKOAQNKB-UWVGGRQHSA-N 0 0 178.256 2.045 10 30 AEEERN Cc1ccc(-n2cc(C#N)cn2)c(C)c1 71507482 572177459 /nfs/dbraw/zinc/17/74/59/572177459.db2.gz JCKHCXZDYPSEOP-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN Cc1ccc(-n2cc(C#N)cn2)cc1C 71507484 572178876 /nfs/dbraw/zinc/17/88/76/572178876.db2.gz FLIOCDSVVPRBPT-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CCCC[C@H](C)C(=O)C(C#N)C#N 300961220 572177706 /nfs/dbraw/zinc/17/77/06/572177706.db2.gz QLYOPVVQWMBIIB-QMMMGPOBSA-N 0 0 178.235 2.045 10 30 AEEERN CN(CC1CC1)C1(C#N)CCCC1 687790285 572177957 /nfs/dbraw/zinc/17/79/57/572177957.db2.gz ALKSKWJKNXZMSJ-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN O[C@@H]1c2ccccc2C=C[C@H]1S 35569673 572178042 /nfs/dbraw/zinc/17/80/42/572178042.db2.gz KVVJHFKKOAQNKB-NXEZZACHSA-N 0 0 178.256 2.045 10 30 AEEERN C=CCCO[C@H]1CCCCC1=O 112924503 572178292 /nfs/dbraw/zinc/17/82/92/572178292.db2.gz JFMCGVBRSBDCFS-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CCc1c(C#N)cnn1-c1ccccc1 71507478 572178298 /nfs/dbraw/zinc/17/82/98/572178298.db2.gz AHNKWANTJZZMCD-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN Cc1cccc(C)c1-n1cc(C#N)cn1 71507486 572178343 /nfs/dbraw/zinc/17/83/43/572178343.db2.gz HSFPEMJKOHJVJA-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CCCC[C@@H](C)C(=O)C(C#N)C#N 300961218 572178639 /nfs/dbraw/zinc/17/86/39/572178639.db2.gz QLYOPVVQWMBIIB-MRVPVSSYSA-N 0 0 178.235 2.045 10 30 AEEERN Cc1ccc(C)c(-n2cc(C#N)cn2)c1 71507483 572178642 /nfs/dbraw/zinc/17/86/42/572178642.db2.gz NXITZVWOGNORCT-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=CC[C@](C)(O)C[C@@H](O)CC(C)C 220194155 572178695 /nfs/dbraw/zinc/17/86/95/572178695.db2.gz AAVBQZZBJDOJHO-QWRGUYRKSA-N 0 0 186.295 2.111 10 30 AEEERN CCc1ccccc1-n1cc(C#N)cn1 71507488 572178789 /nfs/dbraw/zinc/17/87/89/572178789.db2.gz XPTVHYGXAGEVNL-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN C=CCCO[C@@H]1CCCCC1=O 112924501 572180002 /nfs/dbraw/zinc/18/00/02/572180002.db2.gz JFMCGVBRSBDCFS-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1ccc(F)c(OCCC=O)c1 82939861 572180072 /nfs/dbraw/zinc/18/00/72/572180072.db2.gz USJXIQHGKZRGOU-UHFFFAOYSA-N 0 0 182.194 2.102 10 30 AEEERN CSCCCCCN[C@@H](C)C#N 235165545 572180278 /nfs/dbraw/zinc/18/02/78/572180278.db2.gz JNQHJAKMUFHZIL-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN C=C[C@H](OC1CCCCC1)C(=O)OC 300963989 572180616 /nfs/dbraw/zinc/18/06/16/572180616.db2.gz GOGSQDUUMLOYDG-JTQLQIEISA-N 0 0 198.262 2.063 10 30 AEEERN CC#CCC[C@]1(O)CC[C@H](C)SC1 689404446 572180990 /nfs/dbraw/zinc/18/09/90/572180990.db2.gz UZVQHSYVMBIFCW-QWRGUYRKSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@]1(O)CC[C@@H](C)SC1 689404441 572181040 /nfs/dbraw/zinc/18/10/40/572181040.db2.gz UZVQHSYVMBIFCW-MNOVXSKESA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@@]1(O)CC[C@H](C)SC1 689404450 572181335 /nfs/dbraw/zinc/18/13/35/572181335.db2.gz UZVQHSYVMBIFCW-WDEREUQCSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@@]1(O)CC[C@@H](C)SC1 689404436 572181239 /nfs/dbraw/zinc/18/12/39/572181239.db2.gz UZVQHSYVMBIFCW-GHMZBOCLSA-N 0 0 198.331 2.437 10 30 AEEERN Cc1ccc([C@@H]2O[C@@H]2C)cc1 19262517 572181873 /nfs/dbraw/zinc/18/18/73/572181873.db2.gz PNTDWXMTQVSJNZ-PSASIEDQSA-N 0 0 148.205 2.455 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H](C)SC 393347278 572182361 /nfs/dbraw/zinc/18/23/61/572182361.db2.gz IYXSZAJOLJYDKG-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN Cc1ccc([C@@H]2CO2)s1 19271536 572182367 /nfs/dbraw/zinc/18/23/67/572182367.db2.gz MQYSUGSYRQAHKR-LURJTMIESA-N 0 0 140.207 2.128 10 30 AEEERN Cc1ccc([C@H]2O[C@@H]2C)cc1 19262513 572183761 /nfs/dbraw/zinc/18/37/61/572183761.db2.gz PNTDWXMTQVSJNZ-SCZZXKLOSA-N 0 0 148.205 2.455 10 30 AEEERN C#CCC[NH2+]Cc1ccc(Cl)cc1 70159501 572182666 /nfs/dbraw/zinc/18/26/66/572182666.db2.gz QIEDPROXHWDMRD-UHFFFAOYSA-N 0 0 193.677 2.453 10 30 AEEERN Cc1ccc([C@H]2CO2)s1 19271537 572182762 /nfs/dbraw/zinc/18/27/62/572182762.db2.gz MQYSUGSYRQAHKR-ZCFIWIBFSA-N 0 0 140.207 2.128 10 30 AEEERN CC1=C(CCO)C(=O)CC(C)(C)C1 35784294 572182787 /nfs/dbraw/zinc/18/27/87/572182787.db2.gz OMSNEGSVCGNADO-UHFFFAOYSA-N 0 0 182.263 2.074 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@H](C)SC 393347277 572183787 /nfs/dbraw/zinc/18/37/87/572183787.db2.gz IYXSZAJOLJYDKG-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@H](C)SC 393347272 572183802 /nfs/dbraw/zinc/18/38/02/572183802.db2.gz IYXSZAJOLJYDKG-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H](C)SC 393347275 572183809 /nfs/dbraw/zinc/18/38/09/572183809.db2.gz IYXSZAJOLJYDKG-JGVFFNPUSA-N 0 0 188.292 2.246 10 30 AEEERN Cc1ccc([C@@H]2O[C@H]2C)cc1 19262515 572183501 /nfs/dbraw/zinc/18/35/01/572183501.db2.gz PNTDWXMTQVSJNZ-WCBMZHEXSA-N 0 0 148.205 2.455 10 30 AEEERN CCCCCCC=Nc1nc[nH]n1 379339791 572184072 /nfs/dbraw/zinc/18/40/72/572184072.db2.gz FIOVOKBNWGTPRX-UHFFFAOYSA-N 0 0 180.255 2.477 10 30 AEEERN Cc1ccc(-n2ccc(C)n2)c(C#N)c1 235880116 572185379 /nfs/dbraw/zinc/18/53/79/572185379.db2.gz FXJXURKZJHUGBJ-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1OCC#N 19508587 572185470 /nfs/dbraw/zinc/18/54/70/572185470.db2.gz WMAQHNXBQCTWPU-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN Cc1ccc(-n2ccnc2C)c(C#N)c1 235882182 572185579 /nfs/dbraw/zinc/18/55/79/572185579.db2.gz DXUFADVGQFXOLK-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C/C=C(\C)C(=O)CCSC 35874378 572185886 /nfs/dbraw/zinc/18/58/86/572185886.db2.gz XBTYPJMRRLAYPJ-QPJJXVBHSA-N 0 0 158.266 2.275 10 30 AEEERN CC(C)=CCCCC=O 35874350 572186181 /nfs/dbraw/zinc/18/61/81/572186181.db2.gz GUIZUDCRTPIDCW-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN CC[C@@H]1CC(=O)C=C[C@H]1C 35874353 572186200 /nfs/dbraw/zinc/18/62/00/572186200.db2.gz RRTCBVVNXFIXSN-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC[C@H]2CCC(=O)C=C2O1 35803402 572186381 /nfs/dbraw/zinc/18/63/81/572186381.db2.gz HCCYNFLZBKSKBH-QMMMGPOBSA-N 0 0 164.204 2.174 10 30 AEEERN COCC#Cc1ccc(Cl)cc1 35821890 572186456 /nfs/dbraw/zinc/18/64/56/572186456.db2.gz ZCTZUJXQCUWADB-UHFFFAOYSA-N 0 0 180.634 2.338 10 30 AEEERN CC1=CC(=O)[C@H](C)[C@@H](C(C)C)O1 35904574 572186606 /nfs/dbraw/zinc/18/66/06/572186606.db2.gz HTIJPJLEMNBVCA-WCBMZHEXSA-N 0 0 168.236 2.150 10 30 AEEERN CC[C@H]1CCCC[C@@H]1OCC#N 19508589 572186689 /nfs/dbraw/zinc/18/66/89/572186689.db2.gz WMAQHNXBQCTWPU-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H]1CC(=O)C=C[C@H]1C 35874355 572186732 /nfs/dbraw/zinc/18/67/32/572186732.db2.gz RRTCBVVNXFIXSN-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1c(C#N)cnn1-c1ccccc1 35881978 572186744 /nfs/dbraw/zinc/18/67/44/572186744.db2.gz JWVDCXKWNYFVNS-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN N#C[C@]1(N)CCC[C@@H]1c1ccccc1 35803467 572187072 /nfs/dbraw/zinc/18/70/72/572187072.db2.gz BCMPSZINIVPNFK-VXGBXAGGSA-N 0 0 186.258 2.175 10 30 AEEERN CC[C@@H]1CCCC[C@H]1OCC#N 19508591 572186806 /nfs/dbraw/zinc/18/68/06/572186806.db2.gz WMAQHNXBQCTWPU-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@]12CC=CC(=O)[C@@H]1CCC2 35822552 572186990 /nfs/dbraw/zinc/18/69/90/572186990.db2.gz OKWYHQWKKZQTLQ-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H]1Cc2ccccc2N1CCC#N 19485237 572187101 /nfs/dbraw/zinc/18/71/01/572187101.db2.gz YYONEJZTEUZZRC-JTQLQIEISA-N 0 0 186.258 2.351 10 30 AEEERN CC1CCC(OCCC#N)CC1 19519359 572187466 /nfs/dbraw/zinc/18/74/66/572187466.db2.gz WETBMAWBFQBMNZ-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@]12CCCC(=O)C1=CC[C@H]2C#N 35904596 572187637 /nfs/dbraw/zinc/18/76/37/572187637.db2.gz BNRSHEIXEJOXME-GZMMTYOYSA-N 0 0 175.231 2.216 10 30 AEEERN CCC(=N\O)/C(=N/O)c1ccccc1 43465273 572187751 /nfs/dbraw/zinc/18/77/51/572187751.db2.gz ZRAWCZRITFVZJY-WGDLNXRISA-N 0 0 192.218 2.105 10 30 AEEERN CC[C@H](C#N)N1CCCC[C@@H]1C 43556001 572197199 /nfs/dbraw/zinc/19/71/99/572197199.db2.gz FKHNMBJZOIGRER-VHSXEESVSA-N 0 0 166.268 2.163 10 30 AEEERN C#Cc1cccc(NCCCOC)c1 37753626 572188162 /nfs/dbraw/zinc/18/81/62/572188162.db2.gz JCIQKQDAEOVXCX-UHFFFAOYSA-N 0 0 189.258 2.116 10 30 AEEERN O=CCC[C@H]1CC1=C1CC1 35939990 572188828 /nfs/dbraw/zinc/18/88/28/572188828.db2.gz RZJJMRLMETWGML-QMMMGPOBSA-N 0 0 136.194 2.076 10 30 AEEERN O=CCC[C@@H]1CC1=C1CC1 35939991 572188253 /nfs/dbraw/zinc/18/82/53/572188253.db2.gz RZJJMRLMETWGML-MRVPVSSYSA-N 0 0 136.194 2.076 10 30 AEEERN CC1CCC(OCC#N)CC1 19489010 572188345 /nfs/dbraw/zinc/18/83/45/572188345.db2.gz MDDIIDAKIUPYMY-UHFFFAOYSA-N 0 0 153.225 2.105 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)c1cnsc1 712928840 572188380 /nfs/dbraw/zinc/18/83/80/572188380.db2.gz AEQIBQPJCHKUQA-VXNVDRBHSA-N 0 0 195.291 2.096 10 30 AEEERN CCCC[C@]12O[C@@]1(C)CCC[C@H]2O 35940082 572188395 /nfs/dbraw/zinc/18/83/95/572188395.db2.gz OLTWNICKMIOSNW-OUAUKWLOSA-N 0 0 184.279 2.249 10 30 AEEERN CC[C@H]1CCC2=C(CCC2=O)O1 35975640 572188474 /nfs/dbraw/zinc/18/84/74/572188474.db2.gz PKDYMZBMVZHMOS-ZETCQYMHSA-N 0 0 166.220 2.192 10 30 AEEERN CC[C@H]1CC[C@@H](N[C@@H](C)C#N)[C@@H]1C 83048692 572188859 /nfs/dbraw/zinc/18/88/59/572188859.db2.gz FLGYMVULLIDNBP-ZRUFSTJUSA-N 0 0 180.295 2.313 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N\[N+](=O)[O-])C2 36054862 572188706 /nfs/dbraw/zinc/18/87/06/572188706.db2.gz QWPYVYJPIHGYGX-BUTJVDRMSA-N 0 0 196.250 2.465 10 30 AEEERN CC1=CO[C@H](c2ccco2)CC1=O 35962288 572188794 /nfs/dbraw/zinc/18/87/94/572188794.db2.gz RJYOLVTWQQJHNJ-JTQLQIEISA-N 0 0 178.187 2.214 10 30 AEEERN CC[C@H](C)N[C@H](C#N)c1cnsc1 712928836 572188981 /nfs/dbraw/zinc/18/89/81/572188981.db2.gz AEQIBQPJCHKUQA-IONNQARKSA-N 0 0 195.291 2.096 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)c1cnsc1 712928817 572189087 /nfs/dbraw/zinc/18/90/87/572189087.db2.gz AEQIBQPJCHKUQA-APPZFPTMSA-N 0 0 195.291 2.096 10 30 AEEERN CC1=CO[C@@H](c2ccco2)CC1=O 35962290 572189320 /nfs/dbraw/zinc/18/93/20/572189320.db2.gz RJYOLVTWQQJHNJ-SNVBAGLBSA-N 0 0 178.187 2.214 10 30 AEEERN CC[C@@H]1CC[C@@H](N[C@@H](C)C#N)[C@@H]1C 83048691 572189344 /nfs/dbraw/zinc/18/93/44/572189344.db2.gz FLGYMVULLIDNBP-LNFKQOIKSA-N 0 0 180.295 2.313 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)c1cnsc1 712928830 572189380 /nfs/dbraw/zinc/18/93/80/572189380.db2.gz AEQIBQPJCHKUQA-CBAPKCEASA-N 0 0 195.291 2.096 10 30 AEEERN C#C[C@H](O)c1cccc(OCCC)c1 83052764 572189506 /nfs/dbraw/zinc/18/95/06/572189506.db2.gz ISSCDOWOMIGCSW-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN CSCCCC1(C=O)CCC1 317258081 572189564 /nfs/dbraw/zinc/18/95/64/572189564.db2.gz QMJUACNMSJUSNH-UHFFFAOYSA-N 0 0 172.293 2.499 10 30 AEEERN CC[C@H]1CC[C@H](N[C@@H](C)C#N)[C@@H]1C 83048689 572189987 /nfs/dbraw/zinc/18/99/87/572189987.db2.gz FLGYMVULLIDNBP-VLEAKVRGSA-N 0 0 180.295 2.313 10 30 AEEERN C/C(=C/C#C[Si](C)(C)C)CCO 393349571 572190011 /nfs/dbraw/zinc/19/00/11/572190011.db2.gz OMCAQUZUCLYAFE-POHAHGRESA-N 0 0 182.339 2.196 10 30 AEEERN C#C[C@@H](O)c1cccc(OCCC)c1 83052762 572190096 /nfs/dbraw/zinc/19/00/96/572190096.db2.gz ISSCDOWOMIGCSW-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN C#C[C@H](O)c1ccc(OCCC)cc1 83052739 572190204 /nfs/dbraw/zinc/19/02/04/572190204.db2.gz OABSUSOTIZBHRB-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN C#C[C@@H](O)c1ccc(OCCC)cc1 83052737 572190224 /nfs/dbraw/zinc/19/02/24/572190224.db2.gz OABSUSOTIZBHRB-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN CC(C)[C@H]1CC(=O)C(=O)C1C 35986256 572190420 /nfs/dbraw/zinc/19/04/20/572190420.db2.gz VSAJHHYPRFAIQO-SSDOTTSWSA-N 0 0 154.209 2.063 10 30 AEEERN CC[C@@H]1CCC2=C(CCC2=O)O1 35975639 572190474 /nfs/dbraw/zinc/19/04/74/572190474.db2.gz PKDYMZBMVZHMOS-SSDOTTSWSA-N 0 0 166.220 2.192 10 30 AEEERN CC1=CC(C)(C)C=CC1=O 35975567 572190491 /nfs/dbraw/zinc/19/04/91/572190491.db2.gz HRJVGWPOQWPSLJ-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN CC[C@@H](C)N[C@@](C#N)(CC)C1CC1 83057679 572190637 /nfs/dbraw/zinc/19/06/37/572190637.db2.gz BIINHNDSBXZRMO-MWLCHTKSSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@](C#N)(NCC1CC1)C1CC1 83057643 572190878 /nfs/dbraw/zinc/19/08/78/572190878.db2.gz LBZHRFADRPCUEF-NSHDSACASA-N 0 0 178.279 2.068 10 30 AEEERN C=C(C)C(=O)O[C@H](O)CCCCC 112967402 572190929 /nfs/dbraw/zinc/19/09/29/572190929.db2.gz LTCQBHPIKOOLGB-VIFPVBQESA-N 0 0 186.251 2.004 10 30 AEEERN C=C1C[C@@H]1C(=O)Nc1ccccc1 220963240 572191034 /nfs/dbraw/zinc/19/10/34/572191034.db2.gz MCWYNJDBFBHAGD-JTQLQIEISA-N 0 0 173.215 2.201 10 30 AEEERN CC[C@H](C)N[C@](C#N)(CC)C1CC1 83057678 572191462 /nfs/dbraw/zinc/19/14/62/572191462.db2.gz BIINHNDSBXZRMO-ONGXEEELSA-N 0 0 180.295 2.457 10 30 AEEERN O=CC1(C[C@@H](O)c2ccccc2)CC1 317259098 572191508 /nfs/dbraw/zinc/19/15/08/572191508.db2.gz QRLWDBAAUNLEKB-LLVKDONJSA-N 0 0 190.242 2.089 10 30 AEEERN CC[C@](C#N)(NCC(C)C)C1CC1 83057549 572191568 /nfs/dbraw/zinc/19/15/68/572191568.db2.gz HSCXUTQCAKHNAL-LLVKDONJSA-N 0 0 180.295 2.314 10 30 AEEERN C=C(C)[C@H]([NH2+]C)c1cnc(C)s1 234403491 572191984 /nfs/dbraw/zinc/19/19/84/572191984.db2.gz KTKLLRQSPHMTEV-VIFPVBQESA-N 0 0 182.292 2.288 10 30 AEEERN CC[C@@](C#N)(NCC(C)C)C1CC1 83057550 572191996 /nfs/dbraw/zinc/19/19/96/572191996.db2.gz HSCXUTQCAKHNAL-NSHDSACASA-N 0 0 180.295 2.314 10 30 AEEERN CCN(CC)[C@@](C#N)(CC)C1CC1 83058769 572192044 /nfs/dbraw/zinc/19/20/44/572192044.db2.gz MKCDUQUKAZKYKB-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C)N[C@@](C#N)(CC)C1CC1 83057682 572192209 /nfs/dbraw/zinc/19/22/09/572192209.db2.gz BIINHNDSBXZRMO-GXSJLCMTSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@](C#N)(NC(C)C)C1CC1 83057491 572192675 /nfs/dbraw/zinc/19/26/75/572192675.db2.gz WDZPUAVNKOBILR-JTQLQIEISA-N 0 0 166.268 2.067 10 30 AEEERN C=C1C[C@H]1C(=O)Nc1ccccc1 220963292 572192708 /nfs/dbraw/zinc/19/27/08/572192708.db2.gz MCWYNJDBFBHAGD-SNVBAGLBSA-N 0 0 173.215 2.201 10 30 AEEERN CC[C@](C#N)(NC(C)C)C1CC1 83057489 572192956 /nfs/dbraw/zinc/19/29/56/572192956.db2.gz WDZPUAVNKOBILR-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@](C#N)(NCC1CC1)C1CC1 83057641 572193113 /nfs/dbraw/zinc/19/31/13/572193113.db2.gz LBZHRFADRPCUEF-LLVKDONJSA-N 0 0 178.279 2.068 10 30 AEEERN CCCN[C@@](C#N)(CC)C1CC1 83057488 572193193 /nfs/dbraw/zinc/19/31/93/572193193.db2.gz VHKVEKDUPAZEAA-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CCN(CC)[C@](C#N)(CC)C1CC1 83058771 572193371 /nfs/dbraw/zinc/19/33/71/572193371.db2.gz MKCDUQUKAZKYKB-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC1CCC2(CC1)OC[C@H](CC#N)O2 19726928 572193545 /nfs/dbraw/zinc/19/35/45/572193545.db2.gz NDWKQAOXVHRODD-YVNMAJEFSA-N 0 0 195.262 2.222 10 30 AEEERN C[C@@]1(c2ccc3c(c2)CCC3)CO1 36156257 572193914 /nfs/dbraw/zinc/19/39/14/572193914.db2.gz CAZSRHLKSLBUGI-LBPRGKRZSA-N 0 0 174.243 2.421 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1ccc(F)cc1 43515484 572194131 /nfs/dbraw/zinc/19/41/31/572194131.db2.gz MAHTZJVXLSNQFQ-BDAKNGLRSA-N 0 0 192.237 2.388 10 30 AEEERN Cc1ccc(SCC=O)cc1 19686057 572194145 /nfs/dbraw/zinc/19/41/45/572194145.db2.gz RTAKPQOQTJZWBG-UHFFFAOYSA-N 0 0 166.245 2.286 10 30 AEEERN CCCN(C(C)C)[C@H](C)C#N 43521909 572194238 /nfs/dbraw/zinc/19/42/38/572194238.db2.gz GWOSZWQYMHIJNN-SECBINFHSA-N 0 0 154.257 2.019 10 30 AEEERN CCCN(C(C)C)[C@@H](C)C#N 43521907 572194356 /nfs/dbraw/zinc/19/43/56/572194356.db2.gz GWOSZWQYMHIJNN-VIFPVBQESA-N 0 0 154.257 2.019 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C#N 43515394 572194423 /nfs/dbraw/zinc/19/44/23/572194423.db2.gz VRTLLXLFAAQWNZ-AXFHLTTASA-N 0 0 180.295 2.457 10 30 AEEERN CCON[C@@H](CC#N)c1ccccc1 83116269 572195177 /nfs/dbraw/zinc/19/51/77/572195177.db2.gz QTXJVMJFKWNNQX-NSHDSACASA-N 0 0 190.246 2.182 10 30 AEEERN C[C@H](O)c1cccc(O[C@H](C)C#N)c1 43517322 572194575 /nfs/dbraw/zinc/19/45/75/572194575.db2.gz NKFFLAZPYIWZPR-BDAKNGLRSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@H](C#N)Oc1ccccc1[C@@H](C)O 43517278 572194647 /nfs/dbraw/zinc/19/46/47/572194647.db2.gz FGGLWBWSKYPAGN-RKDXNWHRSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](c1cccc(C#N)c1)c1ncc[nH]1 114416133 572194666 /nfs/dbraw/zinc/19/46/66/572194666.db2.gz CPYQDFPSWSJOAE-VIFPVBQESA-N 0 0 197.241 2.433 10 30 AEEERN C1CCCC(COC[C@H]2CO2)CC1 300972951 572194845 /nfs/dbraw/zinc/19/48/45/572194845.db2.gz SGCJPWJLZGZJOD-NSHDSACASA-N 0 0 184.279 2.372 10 30 AEEERN C[C@H](c1cccc(C#N)c1)c1ncc[nH]1 114416131 572194880 /nfs/dbraw/zinc/19/48/80/572194880.db2.gz CPYQDFPSWSJOAE-SECBINFHSA-N 0 0 197.241 2.433 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1cccc(F)c1 43515507 572194888 /nfs/dbraw/zinc/19/48/88/572194888.db2.gz CGJRRUPPEYJVJH-BDAKNGLRSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@]1(c2ccc3c(c2)CCC3)CO1 36156255 572195113 /nfs/dbraw/zinc/19/51/13/572195113.db2.gz CAZSRHLKSLBUGI-GFCCVEGCSA-N 0 0 174.243 2.421 10 30 AEEERN CCOc1ccccc1[C@H]1CO1 19730653 572196343 /nfs/dbraw/zinc/19/63/43/572196343.db2.gz IVLGISMAOFBUFZ-SNVBAGLBSA-N 0 0 164.204 2.157 10 30 AEEERN C[C@H](C#N)Oc1ccc([C@@H](C)O)cc1 43517241 572195471 /nfs/dbraw/zinc/19/54/71/572195471.db2.gz KFUBOOYQIOUATA-RKDXNWHRSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@H](C=O)c1ccc2c(c1)CCC2 36156253 572196280 /nfs/dbraw/zinc/19/62/80/572196280.db2.gz QKPORMGGZLHELH-SECBINFHSA-N 0 0 174.243 2.478 10 30 AEEERN CC[C@@H](C#N)NC1CCC(C)CC1 43539252 572196365 /nfs/dbraw/zinc/19/63/65/572196365.db2.gz LKJCSQAIDGPNJV-YVNMAJEFSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H](C#N)Oc1cccc([C@@H](C)O)c1 43517318 572195766 /nfs/dbraw/zinc/19/57/66/572195766.db2.gz NKFFLAZPYIWZPR-RKDXNWHRSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@H](O)c1ccccc1O[C@H](C)C#N 43517284 572195845 /nfs/dbraw/zinc/19/58/45/572195845.db2.gz FGGLWBWSKYPAGN-BDAKNGLRSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1cccs1 43514902 572195852 /nfs/dbraw/zinc/19/58/52/572195852.db2.gz BMACUEDWLAZYBO-HTQZYQBOSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1ccc(F)cc1 43515486 572195924 /nfs/dbraw/zinc/19/59/24/572195924.db2.gz MAHTZJVXLSNQFQ-RKDXNWHRSA-N 0 0 192.237 2.388 10 30 AEEERN CC[C@@H](C#N)Oc1cc(F)ccc1N 43538508 572196703 /nfs/dbraw/zinc/19/67/03/572196703.db2.gz ZDEYIIMHNVEKFL-QMMMGPOBSA-N 0 0 194.209 2.089 10 30 AEEERN C[C@H](C#N)N[C@H]1CCc2ccccc21 43514962 572196058 /nfs/dbraw/zinc/19/60/58/572196058.db2.gz UDDYZFRWLLDOIB-SKDRFNHKSA-N 0 0 186.258 2.176 10 30 AEEERN CCCCC[C@@H]1O[C@@H]1[C@@H](O)CC 113000127 572196067 /nfs/dbraw/zinc/19/60/67/572196067.db2.gz JIRMQNUHAZAXLE-LPEHRKFASA-N 0 0 172.268 2.105 10 30 AEEERN C1CCCC(COC[C@@H]2CO2)CC1 300972950 572196074 /nfs/dbraw/zinc/19/60/74/572196074.db2.gz SGCJPWJLZGZJOD-LLVKDONJSA-N 0 0 184.279 2.372 10 30 AEEERN CCC(O)=CC(=O)C(C)C 687712235 572196245 /nfs/dbraw/zinc/19/62/45/572196245.db2.gz QMXBOKMIPSCSOF-ALCCZGGFSA-N 0 0 142.198 2.063 10 30 AEEERN CCCCCCC[C@@H](O)[C@H]1CO1 113000856 572196460 /nfs/dbraw/zinc/19/64/60/572196460.db2.gz GHYVSUWHOOJVGV-NXEZZACHSA-N 0 0 172.268 2.107 10 30 AEEERN Cc1cc([C@@]2(C)CO2)ccc1F 19729138 572196486 /nfs/dbraw/zinc/19/64/86/572196486.db2.gz QDZZJJJWHUVKNX-SNVBAGLBSA-N 0 0 166.195 2.380 10 30 AEEERN C#CCCC[C@](C)(C=O)CC 317260806 572196593 /nfs/dbraw/zinc/19/65/93/572196593.db2.gz QYCJXZOZFGVQBF-SNVBAGLBSA-N 0 0 152.237 2.405 10 30 AEEERN CC[C@H](C#N)NC(C)(C)CC 43539069 572196606 /nfs/dbraw/zinc/19/66/06/572196606.db2.gz NSPDRNYCSOFRHQ-MRVPVSSYSA-N 0 0 154.257 2.067 10 30 AEEERN CCCCC[C@@H]1O[C@H]1[C@@H](O)CC 113000130 572196742 /nfs/dbraw/zinc/19/67/42/572196742.db2.gz JIRMQNUHAZAXLE-GUBZILKMSA-N 0 0 172.268 2.105 10 30 AEEERN CCCS[C@@H](C)C#N 43522785 572196968 /nfs/dbraw/zinc/19/69/68/572196968.db2.gz UOQPCKJSYBLATA-LURJTMIESA-N 0 0 129.228 2.042 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCC[C@H](C)C1 43539807 572196815 /nfs/dbraw/zinc/19/68/15/572196815.db2.gz WSSAXJXGQOOFMQ-HBNTYKKESA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](C#N)Oc1cc(N)ccc1C 43538532 572196821 /nfs/dbraw/zinc/19/68/21/572196821.db2.gz WQDBWSDMSCRGCC-JTQLQIEISA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Oc1cc(C)ccc1N 43538512 572196854 /nfs/dbraw/zinc/19/68/54/572196854.db2.gz DDCCFUHCZITMKE-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(C)c1N 43538530 572197007 /nfs/dbraw/zinc/19/70/07/572197007.db2.gz NRDVDZYBAKXVKC-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN CCCCCC[C@H](O)[C@@H]1O[C@@H]1C 112999445 572197110 /nfs/dbraw/zinc/19/71/10/572197110.db2.gz ZPLXLLINVSRCIY-KXUCPTDWSA-N 0 0 172.268 2.105 10 30 AEEERN COc1ccc(C(Cl)=NO)cc1C 379344209 572197114 /nfs/dbraw/zinc/19/71/14/572197114.db2.gz PCWJSPITPAXGRS-UHFFFAOYSA-N 0 0 199.637 2.378 10 30 AEEERN CCCCC[C@H]1O[C@H]1[C@@H](O)CC 113000132 572197150 /nfs/dbraw/zinc/19/71/50/572197150.db2.gz JIRMQNUHAZAXLE-AEJSXWLSSA-N 0 0 172.268 2.105 10 30 AEEERN CC[C@H](C#N)Oc1cc(F)ccc1N 43538509 572197159 /nfs/dbraw/zinc/19/71/59/572197159.db2.gz ZDEYIIMHNVEKFL-MRVPVSSYSA-N 0 0 194.209 2.089 10 30 AEEERN CC[C@H](C#N)Oc1cc(N)ccc1C 43538533 572197680 /nfs/dbraw/zinc/19/76/80/572197680.db2.gz WQDBWSDMSCRGCC-SNVBAGLBSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)N(C)c1ccc(N)cc1 43542964 572197285 /nfs/dbraw/zinc/19/72/85/572197285.db2.gz YGBUXLGGBSLEPV-JTQLQIEISA-N 0 0 189.262 2.007 10 30 AEEERN CCC(CC)N(C)[C@H](C)C#N 43521972 572197405 /nfs/dbraw/zinc/19/74/05/572197405.db2.gz SYZMQVLMLXFXNN-MRVPVSSYSA-N 0 0 154.257 2.019 10 30 AEEERN CC[C@@H](C#N)NC(C)(C)CC 43539068 572197443 /nfs/dbraw/zinc/19/74/43/572197443.db2.gz NSPDRNYCSOFRHQ-QMMMGPOBSA-N 0 0 154.257 2.067 10 30 AEEERN CCC(CC)N[C@H](C#N)CC 43539072 572197469 /nfs/dbraw/zinc/19/74/69/572197469.db2.gz UQHWNCYQYLKUEU-VIFPVBQESA-N 0 0 154.257 2.067 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CCCC[C@@H]1C 43539278 572197522 /nfs/dbraw/zinc/19/75/22/572197522.db2.gz KLIYSONRGZHWOX-GARJFASQSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCCC[C@@H]1C 43539279 572197546 /nfs/dbraw/zinc/19/75/46/572197546.db2.gz KLIYSONRGZHWOX-HBNTYKKESA-N 0 0 180.295 2.457 10 30 AEEERN CCOc1cccc([C@H]2CO2)c1 19730655 572197630 /nfs/dbraw/zinc/19/76/30/572197630.db2.gz WCVIOXKNFYPMNB-SNVBAGLBSA-N 0 0 164.204 2.157 10 30 AEEERN CC[C@H](C#N)Sc1ccncc1N 43542939 572197749 /nfs/dbraw/zinc/19/77/49/572197749.db2.gz QCHMCQSDTNMMNN-SSDOTTSWSA-N 0 0 193.275 2.058 10 30 AEEERN CC[C@@H](C#N)N1CCCC[C@@H]1C 43555999 572197779 /nfs/dbraw/zinc/19/77/79/572197779.db2.gz FKHNMBJZOIGRER-UWVGGRQHSA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@H](C#N)N1C[C@@H](C)C[C@H](C)C1 43556112 572197842 /nfs/dbraw/zinc/19/78/42/572197842.db2.gz KDTSWFPONLCHMX-GARJFASQSA-N 0 0 180.295 2.266 10 30 AEEERN CCC(CC)N(C)[C@@H](C)C#N 43521969 572197927 /nfs/dbraw/zinc/19/79/27/572197927.db2.gz SYZMQVLMLXFXNN-QMMMGPOBSA-N 0 0 154.257 2.019 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC[C@H](C)C1 43539809 572197946 /nfs/dbraw/zinc/19/79/46/572197946.db2.gz WSSAXJXGQOOFMQ-AXFHLTTASA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C)N(CC)[C@@H](C)C#N 43521923 572197953 /nfs/dbraw/zinc/19/79/53/572197953.db2.gz UUUDGFBEAXVYIP-IUCAKERBSA-N 0 0 154.257 2.019 10 30 AEEERN CC[C@H](C#N)Oc1ccc(C#N)cc1 43542315 572197972 /nfs/dbraw/zinc/19/79/72/572197972.db2.gz NQKUTCLVNAUQAO-SNVBAGLBSA-N 0 0 186.214 2.239 10 30 AEEERN CC[C@H](C#N)N1C[C@@H](C)C[C@@H](C)C1 43556108 572198019 /nfs/dbraw/zinc/19/80/19/572198019.db2.gz KDTSWFPONLCHMX-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCCC[C@@H]1C 43539281 572198048 /nfs/dbraw/zinc/19/80/48/572198048.db2.gz KLIYSONRGZHWOX-AXFHLTTASA-N 0 0 180.295 2.457 10 30 AEEERN CCOc1ccc([C@H]2CO2)cc1 19730659 572198075 /nfs/dbraw/zinc/19/80/75/572198075.db2.gz RDSYUTANYRPEEV-SNVBAGLBSA-N 0 0 164.204 2.157 10 30 AEEERN CCCS[C@H](C)C#N 43522787 572198082 /nfs/dbraw/zinc/19/80/82/572198082.db2.gz UOQPCKJSYBLATA-ZCFIWIBFSA-N 0 0 129.228 2.042 10 30 AEEERN CC[C@@H](C#N)N1C[C@@H](C)C[C@@H](C)C1 43556106 572198121 /nfs/dbraw/zinc/19/81/21/572198121.db2.gz KDTSWFPONLCHMX-AXFHLTTASA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H](C#N)O[C@H]1CCC[C@@H](C)C1 43522646 572198132 /nfs/dbraw/zinc/19/81/32/572198132.db2.gz BFXSKMMCWKERPE-UTLUCORTSA-N 0 0 167.252 2.494 10 30 AEEERN CCOc1cccc([C@@H]2CO2)c1 19730654 572199018 /nfs/dbraw/zinc/19/90/18/572199018.db2.gz WCVIOXKNFYPMNB-JTQLQIEISA-N 0 0 164.204 2.157 10 30 AEEERN OCCCCCCCC[C@@H]1CO1 112999355 572198275 /nfs/dbraw/zinc/19/82/75/572198275.db2.gz ATKIKCFIUFQCNU-SNVBAGLBSA-N 0 0 172.268 2.108 10 30 AEEERN OCCCCCCCC[C@H]1CO1 112999357 572198299 /nfs/dbraw/zinc/19/82/99/572198299.db2.gz ATKIKCFIUFQCNU-JTQLQIEISA-N 0 0 172.268 2.108 10 30 AEEERN CC[C@H](C#N)Sc1ncccc1N 43542941 572198318 /nfs/dbraw/zinc/19/83/18/572198318.db2.gz IPDQZEDSDDVNSI-SSDOTTSWSA-N 0 0 193.275 2.058 10 30 AEEERN Cc1ccc(CN(CC#N)C(C)C)o1 70211566 572198391 /nfs/dbraw/zinc/19/83/91/572198391.db2.gz IICQUZGAFOCAJB-UHFFFAOYSA-N 0 0 192.262 2.322 10 30 AEEERN CCCCCCC[C@H](O)[C@@H]1CO1 113000854 572198399 /nfs/dbraw/zinc/19/83/99/572198399.db2.gz GHYVSUWHOOJVGV-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN CC[C@@H](C#N)N(C)C1CCCC1 43556239 572198427 /nfs/dbraw/zinc/19/84/27/572198427.db2.gz QKGUZKQMISKKDG-VIFPVBQESA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(C#N)cc1 43542314 572198447 /nfs/dbraw/zinc/19/84/47/572198447.db2.gz NQKUTCLVNAUQAO-JTQLQIEISA-N 0 0 186.214 2.239 10 30 AEEERN C[C@@H](C#N)O[C@@H]1CCC[C@@H](C)C1 43522650 572198487 /nfs/dbraw/zinc/19/84/87/572198487.db2.gz BFXSKMMCWKERPE-KXUCPTDWSA-N 0 0 167.252 2.494 10 30 AEEERN CN[C@H](C#N)C[C@H](C)c1ccccc1 43535147 572198527 /nfs/dbraw/zinc/19/85/27/572198527.db2.gz UQUCPIFPDIPFCW-JQWIXIFHSA-N 0 0 188.274 2.292 10 30 AEEERN CC[C@H](C#N)N(C)C1CCCC1 43556241 572198539 /nfs/dbraw/zinc/19/85/39/572198539.db2.gz QKGUZKQMISKKDG-SECBINFHSA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@H](C#N)Oc1cc(C)ccc1N 43538513 572198663 /nfs/dbraw/zinc/19/86/63/572198663.db2.gz DDCCFUHCZITMKE-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@H](C#N)N(CC)C(C)C 43556233 572198717 /nfs/dbraw/zinc/19/87/17/572198717.db2.gz BAHYHZLTNSSCRX-SECBINFHSA-N 0 0 154.257 2.019 10 30 AEEERN CCc1ccc([C@]2(C)CO2)cc1 19729123 572198751 /nfs/dbraw/zinc/19/87/51/572198751.db2.gz HFBRZNJQTZNEPG-NSHDSACASA-N 0 0 162.232 2.494 10 30 AEEERN CCCCCCO[C@@H](C)C#N 43522637 572198777 /nfs/dbraw/zinc/19/87/77/572198777.db2.gz KLRYQGZRYZIEOK-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(NC)cc1 43543718 572198867 /nfs/dbraw/zinc/19/88/67/572198867.db2.gz LWCBRLKGLAUSRP-JTQLQIEISA-N 0 0 190.246 2.409 10 30 AEEERN CCCC[C@H](O)[C@H]1O[C@@H]1CCC 112999439 572198921 /nfs/dbraw/zinc/19/89/21/572198921.db2.gz DJDHMFNSQCXWPS-IVZWLZJFSA-N 0 0 172.268 2.105 10 30 AEEERN CCCCCC[C@@H](O)[C@H]1O[C@@H]1C 112999448 572198951 /nfs/dbraw/zinc/19/89/51/572198951.db2.gz ZPLXLLINVSRCIY-BBBLOLIVSA-N 0 0 172.268 2.105 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@H]1CC 43556420 572199233 /nfs/dbraw/zinc/19/92/33/572199233.db2.gz HVDQXRBNSYOYAN-ZJUUUORDSA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@H](C#N)n1cc(Cl)cn1 43556894 572199320 /nfs/dbraw/zinc/19/93/20/572199320.db2.gz QJAZGXZSTZGDRF-SSDOTTSWSA-N 0 0 169.615 2.011 10 30 AEEERN CC[C@@H](C#N)N(C)[C@H](C)CC 43556263 572199336 /nfs/dbraw/zinc/19/93/36/572199336.db2.gz WYGHPHJNWCRDLJ-BDAKNGLRSA-N 0 0 154.257 2.019 10 30 AEEERN CC[C@H]1CCCN([C@H](C#N)CC)C1 43556358 572199485 /nfs/dbraw/zinc/19/94/85/572199485.db2.gz MBMGSODDRSWRKD-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C#N)OC(C)(C)CC 43557237 572199585 /nfs/dbraw/zinc/19/95/85/572199585.db2.gz TWYCVHTZGQXFDV-QMMMGPOBSA-N 0 0 155.241 2.494 10 30 AEEERN CC[C@@H](C#N)n1cc(Cl)cn1 43556892 572199718 /nfs/dbraw/zinc/19/97/18/572199718.db2.gz QJAZGXZSTZGDRF-ZETCQYMHSA-N 0 0 169.615 2.011 10 30 AEEERN COc1cc(CCC=O)ccc1Cl 83141739 572199736 /nfs/dbraw/zinc/19/97/36/572199736.db2.gz DKXHLOUAZCCJTG-UHFFFAOYSA-N 0 0 198.649 2.480 10 30 AEEERN C=CCN(C(=O)C(C)C)C(C)C 70226576 572199939 /nfs/dbraw/zinc/19/99/39/572199939.db2.gz AXAZLPHENYNGBV-UHFFFAOYSA-N 0 0 169.268 2.065 10 30 AEEERN CC[C@H](C#N)SC(C)C 43557693 572199966 /nfs/dbraw/zinc/19/99/66/572199966.db2.gz UWMRXHYTNVJCMZ-SSDOTTSWSA-N 0 0 143.255 2.430 10 30 AEEERN CC[C@H](C#N)OC(C)(C)C 43557226 572199984 /nfs/dbraw/zinc/19/99/84/572199984.db2.gz JWGRQLNMFFOKBT-SSDOTTSWSA-N 0 0 141.214 2.104 10 30 AEEERN CCCCCO[C@H](C#N)CC 43557317 572199998 /nfs/dbraw/zinc/19/99/98/572199998.db2.gz AIYVJVDNIPPQRQ-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN CC[C@@H](C#N)N(CC1CC1)C(C)C 43556767 572200205 /nfs/dbraw/zinc/20/02/05/572200205.db2.gz MTZYFVKRZUNXAD-NSHDSACASA-N 0 0 180.295 2.409 10 30 AEEERN CCCCOCCO[C@H](C#N)CC 43557212 572200219 /nfs/dbraw/zinc/20/02/19/572200219.db2.gz UCMUKJXMTGZEAH-JTQLQIEISA-N 0 0 185.267 2.122 10 30 AEEERN CC#C[C@H](O)c1ccc(SC)cc1 140321641 572200234 /nfs/dbraw/zinc/20/02/34/572200234.db2.gz SYTSHUWRRBIBKM-NSHDSACASA-N 0 0 192.283 2.465 10 30 AEEERN CC[C@H](C)N(C)[C@H](C#N)CC 43556265 572200301 /nfs/dbraw/zinc/20/03/01/572200301.db2.gz WYGHPHJNWCRDLJ-IUCAKERBSA-N 0 0 154.257 2.019 10 30 AEEERN CC[C@H](C#N)OC(C)(C)CC 43557239 572200404 /nfs/dbraw/zinc/20/04/04/572200404.db2.gz TWYCVHTZGQXFDV-MRVPVSSYSA-N 0 0 155.241 2.494 10 30 AEEERN CC[C@H](C#N)n1ccnc1C(C)C 43556886 572200492 /nfs/dbraw/zinc/20/04/92/572200492.db2.gz CPVBSANXVIGGPS-SECBINFHSA-N 0 0 177.251 2.481 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@@H]1CC 43556422 572200519 /nfs/dbraw/zinc/20/05/19/572200519.db2.gz HVDQXRBNSYOYAN-UWVGGRQHSA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@@H](C#N)n1ccnc1C(C)C 43556884 572200634 /nfs/dbraw/zinc/20/06/34/572200634.db2.gz CPVBSANXVIGGPS-VIFPVBQESA-N 0 0 177.251 2.481 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@@H](CC)C1 43556356 572200655 /nfs/dbraw/zinc/20/06/55/572200655.db2.gz MBMGSODDRSWRKD-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN C/C=C(/CC)C(=O)C[C@H]1CCCO1 686230371 572200738 /nfs/dbraw/zinc/20/07/38/572200738.db2.gz MHPZMUBPDWNPKB-KSXVILFYSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCN(C(=O)OCC)C(C)C 70227423 572200798 /nfs/dbraw/zinc/20/07/98/572200798.db2.gz FJILNCGMLMJAPK-UHFFFAOYSA-N 0 0 171.240 2.039 10 30 AEEERN C/C=C(\CC)C(=O)C[C@H]1CCCO1 686230378 572200884 /nfs/dbraw/zinc/20/08/84/572200884.db2.gz MHPZMUBPDWNPKB-OTVCUZDGSA-N 0 0 182.263 2.481 10 30 AEEERN C/C=C(/CC)C(=O)C[C@@H]1CCCO1 686230363 572201067 /nfs/dbraw/zinc/20/10/67/572201067.db2.gz MHPZMUBPDWNPKB-BNFOFFDWSA-N 0 0 182.263 2.481 10 30 AEEERN Cc1nc2scc(C)n2c1CC#N 36256005 572201322 /nfs/dbraw/zinc/20/13/22/572201322.db2.gz LUTFDUDXGYEELH-UHFFFAOYSA-N 0 0 191.259 2.079 10 30 AEEERN C=CCN(C(=O)C1CC1)C1CCCC1 70227283 572201330 /nfs/dbraw/zinc/20/13/30/572201330.db2.gz BLKUJMNCPDOJEV-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=CCN(C(=O)CC)C1CCCC1 70227281 572201402 /nfs/dbraw/zinc/20/14/02/572201402.db2.gz VMSBUCQZOLHMRO-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN O/N=C1\CCc2ccccc2C1 39133584 572201467 /nfs/dbraw/zinc/20/14/67/572201467.db2.gz JXNKMKANQORTNN-ZHACJKMWSA-N 0 0 161.204 2.006 10 30 AEEERN CC(C)=NCC(F)(F)F 19795289 572201615 /nfs/dbraw/zinc/20/16/15/572201615.db2.gz HBRWSWQFZWOWOC-UHFFFAOYSA-N 0 0 139.120 2.030 10 30 AEEERN C/C=C(\CC)C(=O)C[C@@H]1CCCO1 686230379 572202040 /nfs/dbraw/zinc/20/20/40/572202040.db2.gz MHPZMUBPDWNPKB-RZCNENHTSA-N 0 0 182.263 2.481 10 30 AEEERN COn1cc2c(N=[N+]=[N-])cccc2n1 140334792 572203903 /nfs/dbraw/zinc/20/39/03/572203903.db2.gz STONOVDFFCWQFQ-UHFFFAOYSA-N 0 0 189.178 2.037 10 30 AEEERN CCc1ccc(C(C)=NNC)s1 393351151 572204539 /nfs/dbraw/zinc/20/45/39/572204539.db2.gz ZXSDMDOGNBDJHK-UHFFFAOYSA-N 0 0 182.292 2.254 10 30 AEEERN C#CCCCC(=O)[C@@H]1CCOC[C@H]1C 300975495 572202661 /nfs/dbraw/zinc/20/26/61/572202661.db2.gz HNWCSIAVDPMNDR-GHMZBOCLSA-N 0 0 194.274 2.032 10 30 AEEERN Cc1ccc(SC[C@H]2CO2)cc1 19863800 572202724 /nfs/dbraw/zinc/20/27/24/572202724.db2.gz JFVISFDPXDYDBD-SECBINFHSA-N 0 0 180.272 2.486 10 30 AEEERN CC#C[C@@H](O)c1ccc(SC)cc1 140321797 572202824 /nfs/dbraw/zinc/20/28/24/572202824.db2.gz SYTSHUWRRBIBKM-LLVKDONJSA-N 0 0 192.283 2.465 10 30 AEEERN CCC1(CC)CC(C#N)(C(=O)OC)C1 83164638 572203164 /nfs/dbraw/zinc/20/31/64/572203164.db2.gz FXGKXGGVWUEZCG-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN Cc1ccc(SC[C@@H]2CO2)cc1 19863798 572204803 /nfs/dbraw/zinc/20/48/03/572204803.db2.gz JFVISFDPXDYDBD-VIFPVBQESA-N 0 0 180.272 2.486 10 30 AEEERN CCC(O)=CC(=O)C(C)C 687712325 572203884 /nfs/dbraw/zinc/20/38/84/572203884.db2.gz MLUAYYVXRFNHDN-YVMONPNESA-N 0 0 142.198 2.063 10 30 AEEERN CC(C)C(C)(C)C[C@@](C)(O)CC=O 713228787 572204228 /nfs/dbraw/zinc/20/42/28/572204228.db2.gz KIMKJSIGWZBZNZ-NSHDSACASA-N 0 0 186.295 2.399 10 30 AEEERN CCCC1=C(CC)C(=O)COC1 36404302 572206785 /nfs/dbraw/zinc/20/67/85/572206785.db2.gz RHDGGDXYEUPMNQ-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN C#CCCCC(=O)[C@H]1CCOC[C@@H]1C 300975498 572204487 /nfs/dbraw/zinc/20/44/87/572204487.db2.gz HNWCSIAVDPMNDR-QWRGUYRKSA-N 0 0 194.274 2.032 10 30 AEEERN CC(C)N[C@@H](C#N)c1ccccc1F 19988402 572206262 /nfs/dbraw/zinc/20/62/62/572206262.db2.gz QZXPOCCUGQBBTA-NSHDSACASA-N 0 0 192.237 2.388 10 30 AEEERN OC/C=C/C#CC1=CCCCC1 140401218 572206269 /nfs/dbraw/zinc/20/62/69/572206269.db2.gz PTRYPBCUXCIQFQ-QHHAFSJGSA-N 0 0 162.232 2.039 10 30 AEEERN CC(C)C(C)(C)C[C@](C)(O)CC=O 713228785 572204722 /nfs/dbraw/zinc/20/47/22/572204722.db2.gz KIMKJSIGWZBZNZ-LLVKDONJSA-N 0 0 186.295 2.399 10 30 AEEERN C#CCCCC(=O)[C@H]1CCOC[C@H]1C 300975496 572204735 /nfs/dbraw/zinc/20/47/35/572204735.db2.gz HNWCSIAVDPMNDR-MNOVXSKESA-N 0 0 194.274 2.032 10 30 AEEERN CC[C@@H](C)SCC#N 19870153 572205153 /nfs/dbraw/zinc/20/51/53/572205153.db2.gz HPJLQUDKFUDOOD-ZCFIWIBFSA-N 0 0 129.228 2.042 10 30 AEEERN CC(C)N[C@@H](C#N)c1cccs1 19984924 572206409 /nfs/dbraw/zinc/20/64/09/572206409.db2.gz WVNNDYSDMWIYNQ-QMMMGPOBSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@@]12CCC=C1C(=O)CCC2 36404101 572206410 /nfs/dbraw/zinc/20/64/10/572206410.db2.gz WVFQWKPDQCQLSD-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN CC[C@@H](C)SCCC/C(N)=N/O 19870300 572205406 /nfs/dbraw/zinc/20/54/06/572205406.db2.gz ZFEHMPPOJOVHNE-SSDOTTSWSA-N 0 0 190.312 2.045 10 30 AEEERN CCc1ccc(C(=O)CC#N)s1 43640066 572205556 /nfs/dbraw/zinc/20/55/56/572205556.db2.gz UOIJSMZXYCRRSF-UHFFFAOYSA-N 0 0 179.244 2.407 10 30 AEEERN Cc1ccc2c(c1)C=CC2=O 140315305 572205572 /nfs/dbraw/zinc/20/55/72/572205572.db2.gz OSYJHWNMRWLBIX-UHFFFAOYSA-N 0 0 144.173 2.205 10 30 AEEERN CCc1ccc([C@@H](C#N)N(C)C)cc1 19934251 572206643 /nfs/dbraw/zinc/20/66/43/572206643.db2.gz VLTMOENDSDWSIR-GFCCVEGCSA-N 0 0 188.274 2.375 10 30 AEEERN CC(C)N[C@H](C#N)c1ccccc1F 19988406 572205914 /nfs/dbraw/zinc/20/59/14/572205914.db2.gz QZXPOCCUGQBBTA-LLVKDONJSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@]12CCC=C1C(=O)CCC2 36404100 572205940 /nfs/dbraw/zinc/20/59/40/572205940.db2.gz WVFQWKPDQCQLSD-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN C=C=C(CC=O)CCC=C 36419650 572205989 /nfs/dbraw/zinc/20/59/89/572205989.db2.gz NVPKNGNMBRADEC-UHFFFAOYSA-N 0 0 136.194 2.253 10 30 AEEERN CC1CCC(C#N)(N(C)C)CC1 19935187 572206072 /nfs/dbraw/zinc/20/60/72/572206072.db2.gz WCPPWMAVTKRPAX-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN CC1=C(OCC(C)C)CCC1=O 36419911 572206803 /nfs/dbraw/zinc/20/68/03/572206803.db2.gz WAJVILZZEMDMRQ-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CO[C@@]12C=CC(=O)C=C1CCCC2 36420060 572206416 /nfs/dbraw/zinc/20/64/16/572206416.db2.gz QHTDZBGLYJQLAY-NSHDSACASA-N 0 0 178.231 2.011 10 30 AEEERN C=C(CCC)[C@H](O)CC 196218338 572206421 /nfs/dbraw/zinc/20/64/21/572206421.db2.gz BRWYWNJBQGZZMF-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN C=CCc1ccccc1[C@H](C)O 140401426 572206435 /nfs/dbraw/zinc/20/64/35/572206435.db2.gz ZRXLPSBWHIJZMC-VIFPVBQESA-N 0 0 162.232 2.468 10 30 AEEERN C/C=C/C(=O)CCOCC(F)(F)F 687794575 572206448 /nfs/dbraw/zinc/20/64/48/572206448.db2.gz AXWAQQRWBHQVEU-NSCUHMNNSA-N 0 0 196.168 2.101 10 30 AEEERN C#Cc1cccc2[nH]cc(CC#N)c12 36404481 572206484 /nfs/dbraw/zinc/20/64/84/572206484.db2.gz DGFIRUHFPNNUBF-UHFFFAOYSA-N 0 0 180.210 2.215 10 30 AEEERN CCC(Br)(C=O)CC 36420071 572206606 /nfs/dbraw/zinc/20/66/06/572206606.db2.gz VYAFHXKBEDDKRD-UHFFFAOYSA-N 0 0 179.057 2.139 10 30 AEEERN C=C(C[C@H](C)O)c1ccccc1 140398262 572206610 /nfs/dbraw/zinc/20/66/10/572206610.db2.gz SIIPGKCVJBONMI-JTQLQIEISA-N 0 0 162.232 2.471 10 30 AEEERN CN(C)[C@H](C#N)c1cccc(Cl)c1 19934392 572206612 /nfs/dbraw/zinc/20/66/12/572206612.db2.gz RIHHSOIPTVEDFY-SNVBAGLBSA-N 0 0 194.665 2.466 10 30 AEEERN CC1=CC(=O)[C@@]2(C)CCC[C@@H]12 36419731 572206622 /nfs/dbraw/zinc/20/66/22/572206622.db2.gz UDIDHMRNSRRJMA-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN CCC(C)=CC(=O)c1cc(C)n(C)n1 300977707 572206931 /nfs/dbraw/zinc/20/69/31/572206931.db2.gz XYCXGVHRKUFCDD-UHFFFAOYSA-N 0 0 192.262 2.268 10 30 AEEERN C=C(C)CC(=C)COC 196205740 572207076 /nfs/dbraw/zinc/20/70/76/572207076.db2.gz FDMZLRHODXOHCN-UHFFFAOYSA-N 0 0 126.199 2.155 10 30 AEEERN O=C1C=CC[C@H]1c1ccccc1 36419811 572207201 /nfs/dbraw/zinc/20/72/01/572207201.db2.gz XPTRZOWCRLUGRQ-JTQLQIEISA-N 0 0 158.200 2.299 10 30 AEEERN C=C(C)[C@H]1CC[C@H](C)[C@@H]1CO 36419774 572207408 /nfs/dbraw/zinc/20/74/08/572207408.db2.gz MJJQXHAJOZSAFP-AEJSXWLSSA-N 0 0 154.253 2.217 10 30 AEEERN Cc1cccc([C@@H](C#N)NC2CC2)c1 19987582 572207420 /nfs/dbraw/zinc/20/74/20/572207420.db2.gz LYCVUKUHKVEBBC-GFCCVEGCSA-N 0 0 186.258 2.312 10 30 AEEERN CC(C)N[C@H](C#N)c1cccs1 19984928 572207432 /nfs/dbraw/zinc/20/74/32/572207432.db2.gz WVNNDYSDMWIYNQ-MRVPVSSYSA-N 0 0 180.276 2.311 10 30 AEEERN Cc1cccc([C@@H](C#N)N(C)C)c1 19934121 572207612 /nfs/dbraw/zinc/20/76/12/572207612.db2.gz CWMXWKJGOSVCIS-LLVKDONJSA-N 0 0 174.247 2.121 10 30 AEEERN C=C(C[C@@H](C)O)c1ccccc1 140398091 572207639 /nfs/dbraw/zinc/20/76/39/572207639.db2.gz SIIPGKCVJBONMI-SNVBAGLBSA-N 0 0 162.232 2.471 10 30 AEEERN Cc1cccc([C@H](C#N)NC2CC2)c1 19987578 572207654 /nfs/dbraw/zinc/20/76/54/572207654.db2.gz LYCVUKUHKVEBBC-LBPRGKRZSA-N 0 0 186.258 2.312 10 30 AEEERN CC1=CC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 36419991 572207957 /nfs/dbraw/zinc/20/79/57/572207957.db2.gz YANRTVRYZZUBTK-KLBPJQLPSA-N 0 0 174.243 2.344 10 30 AEEERN O=C1C=CC[C@@H]1c1ccccc1 36419812 572207979 /nfs/dbraw/zinc/20/79/79/572207979.db2.gz XPTRZOWCRLUGRQ-SNVBAGLBSA-N 0 0 158.200 2.299 10 30 AEEERN CO[C@]12C=CC(=O)C=C1CCCC2 36420058 572207980 /nfs/dbraw/zinc/20/79/80/572207980.db2.gz QHTDZBGLYJQLAY-LLVKDONJSA-N 0 0 178.231 2.011 10 30 AEEERN C/C=C\C(=O)CCOCC(F)(F)F 687794574 572207993 /nfs/dbraw/zinc/20/79/93/572207993.db2.gz AXWAQQRWBHQVEU-IHWYPQMZSA-N 0 0 196.168 2.101 10 30 AEEERN CCCN[C@H](C#N)c1cccs1 19984920 572208112 /nfs/dbraw/zinc/20/81/12/572208112.db2.gz BXJJTVCTCQIFSC-MRVPVSSYSA-N 0 0 180.276 2.312 10 30 AEEERN Cc1ccc([C@H](C#N)NC2CC2)cc1 19987993 572208298 /nfs/dbraw/zinc/20/82/98/572208298.db2.gz QTVWVZFSPQBIBW-LBPRGKRZSA-N 0 0 186.258 2.312 10 30 AEEERN C/C=C(/CC)C(=O)C(F)(F)F 687795174 572208372 /nfs/dbraw/zinc/20/83/72/572208372.db2.gz MZMURAZNLXBKDD-HYXAFXHYSA-N 0 0 166.142 2.474 10 30 AEEERN CCOC(=O)/C=C/CCCCCC=O 36420404 572208787 /nfs/dbraw/zinc/20/87/87/572208787.db2.gz YKXRRIYNKPKWCF-VQHVLOKHSA-N 0 0 198.262 2.255 10 30 AEEERN C/C=C(\CC)C(=O)C(F)(F)F 687795173 572209084 /nfs/dbraw/zinc/20/90/84/572209084.db2.gz MZMURAZNLXBKDD-HWKANZROSA-N 0 0 166.142 2.474 10 30 AEEERN C=CC[C@H](C)C[C@H](C)C=O 36436758 572208820 /nfs/dbraw/zinc/20/88/20/572208820.db2.gz YJNFRFJGSBNUID-IUCAKERBSA-N 0 0 140.226 2.424 10 30 AEEERN CCc1ccc([C@H](C#N)N(C)C)cc1 19934253 572208821 /nfs/dbraw/zinc/20/88/21/572208821.db2.gz VLTMOENDSDWSIR-LBPRGKRZSA-N 0 0 188.274 2.375 10 30 AEEERN CC(C)[C@H]1CC=CC(=O)C1 36437557 572208840 /nfs/dbraw/zinc/20/88/40/572208840.db2.gz GPXJNHVXKLEHJG-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C=O 36437819 572209086 /nfs/dbraw/zinc/20/90/86/572209086.db2.gz RNUHVHTXFAUOMG-VLEAKVRGSA-N 0 0 164.248 2.280 10 30 AEEERN C=C(C(C)=O)[C@H](O)c1cccc(F)c1 36437156 572208919 /nfs/dbraw/zinc/20/89/19/572208919.db2.gz CLXUJZBZHNLDII-NSHDSACASA-N 0 0 194.205 2.004 10 30 AEEERN N#C[C@H](NC1CC1)c1cccs1 19984936 572208972 /nfs/dbraw/zinc/20/89/72/572208972.db2.gz ATVFYWPCMWXLGY-QMMMGPOBSA-N 0 0 178.260 2.065 10 30 AEEERN C[C@@H]1c2ccccc2C[C@@H]1C#N 36437754 572209005 /nfs/dbraw/zinc/20/90/05/572209005.db2.gz HKALHFWTECNANO-WCBMZHEXSA-N 0 0 157.216 2.486 10 30 AEEERN C=C(C)CC[C@@H](O)c1cc(C)n(C)n1 300979066 572209156 /nfs/dbraw/zinc/20/91/56/572209156.db2.gz YEZRGTYJYCLNNC-LLVKDONJSA-N 0 0 194.278 2.118 10 30 AEEERN C=CCC[C@H](C=O)CC=C 36437562 572209220 /nfs/dbraw/zinc/20/92/20/572209220.db2.gz IYTYBDABNJPUNZ-SECBINFHSA-N 0 0 138.210 2.344 10 30 AEEERN C=C(Br)C[C@H](C)C=O 36438137 572209238 /nfs/dbraw/zinc/20/92/38/572209238.db2.gz GMTSYKQXFFOUQG-YFKPBYRVSA-N 0 0 177.041 2.120 10 30 AEEERN C#CCC[C@H](O)[C@@H](C)CC(C)C 300979633 572209251 /nfs/dbraw/zinc/20/92/51/572209251.db2.gz TYGGKCZNWHTZBE-QWRGUYRKSA-N 0 0 168.280 2.443 10 30 AEEERN C#CCC[C@@H](O)[C@@H](C)CC(C)C 300979634 572209401 /nfs/dbraw/zinc/20/94/01/572209401.db2.gz TYGGKCZNWHTZBE-WDEREUQCSA-N 0 0 168.280 2.443 10 30 AEEERN C=C(C)C(=O)/C(C)=C/CC 36436750 572209449 /nfs/dbraw/zinc/20/94/49/572209449.db2.gz HBEULLGWWIWCHA-SOFGYWHQSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C(C)=O)[C@@H](O)c1cccc(F)c1 36437157 572209500 /nfs/dbraw/zinc/20/95/00/572209500.db2.gz CLXUJZBZHNLDII-LLVKDONJSA-N 0 0 194.205 2.004 10 30 AEEERN C=CCC[C@@H](C=O)CC=C 36437563 572209588 /nfs/dbraw/zinc/20/95/88/572209588.db2.gz IYTYBDABNJPUNZ-VIFPVBQESA-N 0 0 138.210 2.344 10 30 AEEERN C[C@H]1CC(=O)C2=C1CCC2 36437547 572209633 /nfs/dbraw/zinc/20/96/33/572209633.db2.gz MQTVKTKHRWGIGY-LURJTMIESA-N 0 0 136.194 2.076 10 30 AEEERN C#CCC[C@H](O)[C@H](C)CC(C)C 300979632 572209643 /nfs/dbraw/zinc/20/96/43/572209643.db2.gz TYGGKCZNWHTZBE-MNOVXSKESA-N 0 0 168.280 2.443 10 30 AEEERN N#CCC(c1ccc[nH]1)c1ccc[nH]1 36437060 572209650 /nfs/dbraw/zinc/20/96/50/572209650.db2.gz BEZGWAMSKHIHBO-UHFFFAOYSA-N 0 0 185.230 2.388 10 30 AEEERN C=C(CCC=O)C(C)C 36437511 572209740 /nfs/dbraw/zinc/20/97/40/572209740.db2.gz IYEKWPXLVDAICX-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN CC(C)[C@@H]1CC=CC(=O)C1 36437556 572209768 /nfs/dbraw/zinc/20/97/68/572209768.db2.gz GPXJNHVXKLEHJG-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN CCCC=C=CCCC=O 36437558 572209788 /nfs/dbraw/zinc/20/97/88/572209788.db2.gz JRRXCFFBISKCTD-UHFFFAOYSA-N 0 0 138.210 2.477 10 30 AEEERN CC1C(=O)CCC(C)(C)C1=CC=O 36437006 572209905 /nfs/dbraw/zinc/20/99/05/572209905.db2.gz OEXPAFARMHBOQC-UHFFFAOYSA-N 0 0 180.247 2.281 10 30 AEEERN CN(C)c1cccc(OCCS)c1 41209166 572210345 /nfs/dbraw/zinc/21/03/45/572210345.db2.gz XCUZLKUUSBVRAE-UHFFFAOYSA-N 0 0 197.303 2.061 10 30 AEEERN CCO[P@](C)(=O)[C@@H](C)CC#N 36458953 572210356 /nfs/dbraw/zinc/21/03/56/572210356.db2.gz GALJFUFIVXHMIB-CPCISQLKSA-N 0 0 175.168 2.233 10 30 AEEERN Cc1cc2ccccc2n1C[C@@H]1CO1 20217118 572210395 /nfs/dbraw/zinc/21/03/95/572210395.db2.gz IXMSRZANSKYDGU-LLVKDONJSA-N 0 0 187.242 2.349 10 30 AEEERN CC1C(=O)C(=O)C[C@H]1C(C)(C)C 36455886 572210638 /nfs/dbraw/zinc/21/06/38/572210638.db2.gz IAERFZSLZIMFAQ-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 AEEERN O=C1C=C([C@H](O)c2ccccc2)CC1 36448380 572210675 /nfs/dbraw/zinc/21/06/75/572210675.db2.gz CWJDAAOKSOKCKX-GFCCVEGCSA-N 0 0 188.226 2.009 10 30 AEEERN CCO[P@](C)(=O)[C@H](C)CC#N 36458955 572210797 /nfs/dbraw/zinc/21/07/97/572210797.db2.gz GALJFUFIVXHMIB-HQJQHLMTSA-N 0 0 175.168 2.233 10 30 AEEERN C=C(c1ccc(F)cc1F)[C@@H](C)O 36448303 572210803 /nfs/dbraw/zinc/21/08/03/572210803.db2.gz WEVQERZIZJDSDE-SSDOTTSWSA-N 0 0 184.185 2.359 10 30 AEEERN C=C(CC)C[C@@H](CO)CCC#N 220362621 572211051 /nfs/dbraw/zinc/21/10/51/572211051.db2.gz XTJRCENMQPJRBR-JTQLQIEISA-N 0 0 167.252 2.255 10 30 AEEERN C=CCC[C@H]1CCCC(=O)[C@H]1C#N 36455993 572211055 /nfs/dbraw/zinc/21/10/55/572211055.db2.gz LDAPCLQKLNMAIK-UWVGGRQHSA-N 0 0 177.247 2.462 10 30 AEEERN C[C@]1(C=O)C=CCc2ccccc21 36448142 572211131 /nfs/dbraw/zinc/21/11/31/572211131.db2.gz LJXOTQNQERFIQR-GFCCVEGCSA-N 0 0 172.227 2.256 10 30 AEEERN O=C1CCCC2=C[C@H]3CC=C1[C@@H]23 36458753 572211160 /nfs/dbraw/zinc/21/11/60/572211160.db2.gz IDCMHYWPXVMKAP-KCJUWKMLSA-N 0 0 160.216 2.242 10 30 AEEERN O=C1C=C([C@@H]2CCOC2)CCCC1 687795313 572211180 /nfs/dbraw/zinc/21/11/80/572211180.db2.gz RJMXMNXLCUXLFU-SNVBAGLBSA-N 0 0 180.247 2.092 10 30 AEEERN CC1C(=O)C(=O)C[C@@H]1C(C)(C)C 36455885 572211188 /nfs/dbraw/zinc/21/11/88/572211188.db2.gz IAERFZSLZIMFAQ-ZETCQYMHSA-N 0 0 168.236 2.454 10 30 AEEERN CC/C=C/C(=O)/C=C/CC 36455617 572211569 /nfs/dbraw/zinc/21/15/69/572211569.db2.gz ONYHTCVKMLKJQR-KQQUZDAGSA-N 0 0 138.210 2.488 10 30 AEEERN CC(C)(C=O)CCOCC1CC1 689447658 572211571 /nfs/dbraw/zinc/21/15/71/572211571.db2.gz LBJIASWJWUPTES-UHFFFAOYSA-N 0 0 170.252 2.028 10 30 AEEERN CC1(C)CC(=O)C2=C(C1)NCCC2 36459037 572211663 /nfs/dbraw/zinc/21/16/63/572211663.db2.gz UKUDDGOWCUCRFI-UHFFFAOYSA-N 0 0 179.263 2.013 10 30 AEEERN CC(C)[C@H](C=O)OCc1ccccc1 36459332 572211673 /nfs/dbraw/zinc/21/16/73/572211673.db2.gz VUURQDUGKXVUFO-LBPRGKRZSA-N 0 0 192.258 2.427 10 30 AEEERN CN(C)[C@H](CC#N)c1ccccc1 20216465 572211739 /nfs/dbraw/zinc/21/17/39/572211739.db2.gz MGXQZDCKXFCFAH-LLVKDONJSA-N 0 0 174.247 2.203 10 30 AEEERN Cc1cc2ccccc2n1C[C@H]1CO1 20217119 572211765 /nfs/dbraw/zinc/21/17/65/572211765.db2.gz IXMSRZANSKYDGU-NSHDSACASA-N 0 0 187.242 2.349 10 30 AEEERN CCC[C@]1(C(C)=O)C[C@@H]1S 196461090 572211798 /nfs/dbraw/zinc/21/17/98/572211798.db2.gz ARNCCATUZKSRDT-JGVFFNPUSA-N 0 0 158.266 2.064 10 30 AEEERN C/C=C(/CC)C(=O)CCOCC 687795258 572211867 /nfs/dbraw/zinc/21/18/67/572211867.db2.gz KKKAPIBSQHOYQZ-WTKPLQERSA-N 0 0 170.252 2.338 10 30 AEEERN C=C(C)c1cc(O)c(C)cc1O 140404863 572211927 /nfs/dbraw/zinc/21/19/27/572211927.db2.gz TUBKRNYLIIIOAU-UHFFFAOYSA-N 0 0 164.204 2.439 10 30 AEEERN C/C=C(\CC)C(=O)CCOCC 687795257 572211931 /nfs/dbraw/zinc/21/19/31/572211931.db2.gz KKKAPIBSQHOYQZ-RUDMXATFSA-N 0 0 170.252 2.338 10 30 AEEERN CCO[P@@](C)(=O)[C@H](C)CC#N 36458956 572211958 /nfs/dbraw/zinc/21/19/58/572211958.db2.gz GALJFUFIVXHMIB-RDDDGLTNSA-N 0 0 175.168 2.233 10 30 AEEERN C=CCC[C@@H]1CCCC(=O)[C@H]1C#N 36455992 572211968 /nfs/dbraw/zinc/21/19/68/572211968.db2.gz LDAPCLQKLNMAIK-ZJUUUORDSA-N 0 0 177.247 2.462 10 30 AEEERN CC1(C)CC(=O)[C@@H](CCC#N)C1 36458794 572211982 /nfs/dbraw/zinc/21/19/82/572211982.db2.gz MHJKXYUDDSPLRD-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN O=C1C=C([C@@H](O)c2ccccc2)CC1 36448379 572212016 /nfs/dbraw/zinc/21/20/16/572212016.db2.gz CWJDAAOKSOKCKX-LBPRGKRZSA-N 0 0 188.226 2.009 10 30 AEEERN CCC[C@]1(C(C)=O)C[C@H]1S 196461111 572212021 /nfs/dbraw/zinc/21/20/21/572212021.db2.gz ARNCCATUZKSRDT-HTQZYQBOSA-N 0 0 158.266 2.064 10 30 AEEERN O=C1C=C([C@H]2CCOC2)CCCC1 687795312 572212066 /nfs/dbraw/zinc/21/20/66/572212066.db2.gz RJMXMNXLCUXLFU-JTQLQIEISA-N 0 0 180.247 2.092 10 30 AEEERN C=CCC[C@@H]1CCCC(=O)[C@@H]1C#N 36455990 572212076 /nfs/dbraw/zinc/21/20/76/572212076.db2.gz LDAPCLQKLNMAIK-NXEZZACHSA-N 0 0 177.247 2.462 10 30 AEEERN C[C@@]12C=C[C@@H](C=CC1=O)CC2 196467594 572212080 /nfs/dbraw/zinc/21/20/80/572212080.db2.gz QFHMAMBKJRPNOG-SCZZXKLOSA-N 0 0 148.205 2.098 10 30 AEEERN C=C(C)C1=CCCC[C@@H]1O 196464182 572212107 /nfs/dbraw/zinc/21/21/07/572212107.db2.gz HFZFLPXPGZMSFA-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN C=C(c1ccccc1)[C@@H](C)CO 196466012 572212129 /nfs/dbraw/zinc/21/21/29/572212129.db2.gz HBKZTRRTVDQIOR-VIFPVBQESA-N 0 0 162.232 2.328 10 30 AEEERN C=CCC[C@H]1CCCC(=O)[C@@H]1C#N 36455991 572212259 /nfs/dbraw/zinc/21/22/59/572212259.db2.gz LDAPCLQKLNMAIK-VHSXEESVSA-N 0 0 177.247 2.462 10 30 AEEERN C[C@@]12CCC=C1C(=O)CC2 43762431 572212371 /nfs/dbraw/zinc/21/23/71/572212371.db2.gz FUTGMVGXCCZVBZ-VIFPVBQESA-N 0 0 136.194 2.076 10 30 AEEERN CCC[C@@]1(C(C)=O)C[C@@H]1S 196461100 572212393 /nfs/dbraw/zinc/21/23/93/572212393.db2.gz ARNCCATUZKSRDT-YUMQZZPRSA-N 0 0 158.266 2.064 10 30 AEEERN CCC[C@@]1(C(C)=O)C[C@H]1S 196461125 572212442 /nfs/dbraw/zinc/21/24/42/572212442.db2.gz ARNCCATUZKSRDT-SFYZADRCSA-N 0 0 158.266 2.064 10 30 AEEERN C=C(C(C)C)[C@@H]1NC(=O)O[C@@H]1C(C)C 140410599 572212778 /nfs/dbraw/zinc/21/27/78/572212778.db2.gz HAYCNQDGJPMQGP-VHSXEESVSA-N 0 0 197.278 2.332 10 30 AEEERN C=C(C)C(=O)COCc1ccccc1 36466797 572212917 /nfs/dbraw/zinc/21/29/17/572212917.db2.gz MTTACSFQMRIJPO-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN C=C1C[C@@H]2c3ccccc3NC(=O)[C@@H]12 196465085 572212971 /nfs/dbraw/zinc/21/29/71/572212971.db2.gz XQUSOOYNCKHHAZ-KOLCDFICSA-N 0 0 185.226 2.298 10 30 AEEERN C=CCC(C)(C)CCCO 196466237 572212996 /nfs/dbraw/zinc/21/29/96/572212996.db2.gz HMVJAZOXJRHZDY-UHFFFAOYSA-N 0 0 142.242 2.361 10 30 AEEERN C=C(C)C1=CCCCC[C@H]1O 196464217 572213105 /nfs/dbraw/zinc/21/31/05/572213105.db2.gz RNLQNKDINRSWRZ-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@H]2c3ccccc3NC(=O)[C@H]12 196465061 572213192 /nfs/dbraw/zinc/21/31/92/572213192.db2.gz XQUSOOYNCKHHAZ-GXSJLCMTSA-N 0 0 185.226 2.298 10 30 AEEERN COc1cc(C)ccc1OCCS 41209461 572213198 /nfs/dbraw/zinc/21/31/98/572213198.db2.gz DZPGLFXTHKUPTR-UHFFFAOYSA-N 0 0 198.287 2.312 10 30 AEEERN C=C(c1ccccc1)[C@H](C)CO 196466022 572213324 /nfs/dbraw/zinc/21/33/24/572213324.db2.gz HBKZTRRTVDQIOR-SECBINFHSA-N 0 0 162.232 2.328 10 30 AEEERN C=CC[C@@H]1CCC[C@H]1C(=O)OC 113645777 572213342 /nfs/dbraw/zinc/21/33/42/572213342.db2.gz VOVSOKDKRATIDQ-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C[C@@H]1CCCC2=C1C(=O)CC2 36466234 572213360 /nfs/dbraw/zinc/21/33/60/572213360.db2.gz OPBVYDWPJJOAEY-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN C=CC[C@@H]1CCC[C@@H]1C(=O)OC 113645779 572213459 /nfs/dbraw/zinc/21/34/59/572213459.db2.gz VOVSOKDKRATIDQ-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN C[C@H]1CCCC2=C1C(=O)CC2 36466235 572213472 /nfs/dbraw/zinc/21/34/72/572213472.db2.gz OPBVYDWPJJOAEY-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN C=C1C[C@@H]2c3ccccc3NC(=O)[C@H]12 196465070 572213502 /nfs/dbraw/zinc/21/35/02/572213502.db2.gz XQUSOOYNCKHHAZ-MWLCHTKSSA-N 0 0 185.226 2.298 10 30 AEEERN C/C=C/C(=O)C#Cc1cccs1 36466566 572213543 /nfs/dbraw/zinc/21/35/43/572213543.db2.gz HEUYQJNKRTZEOI-DUXPYHPUSA-N 0 0 176.240 2.245 10 30 AEEERN C=C(C)Cc1cccccc1=O 196478028 572213545 /nfs/dbraw/zinc/21/35/45/572213545.db2.gz KZPPCTBQZOWUNY-UHFFFAOYSA-N 0 0 160.216 2.165 10 30 AEEERN C[C@]12C=C[C@H](C=CC1=O)CC2 196467573 572213652 /nfs/dbraw/zinc/21/36/52/572213652.db2.gz QFHMAMBKJRPNOG-WCBMZHEXSA-N 0 0 148.205 2.098 10 30 AEEERN Cn1nccc1-c1ccc(C#N)s1 168056613 572213971 /nfs/dbraw/zinc/21/39/71/572213971.db2.gz GFNXUZKNNDRZIA-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN CC(=O)c1cccc(CCC#N)c1 36476485 572214130 /nfs/dbraw/zinc/21/41/30/572214130.db2.gz BTLAYZPIDQHRBT-UHFFFAOYSA-N 0 0 173.215 2.345 10 30 AEEERN C=C([C@H](O)CC)[Si](C)(C)C 196477377 572214166 /nfs/dbraw/zinc/21/41/66/572214166.db2.gz KJXMNNMTGBMECA-MRVPVSSYSA-N 0 0 158.317 2.191 10 30 AEEERN COC1=C(C)C(=O)[C@H](C)[C@H](C)C1 196475335 572214470 /nfs/dbraw/zinc/21/44/70/572214470.db2.gz AVALTSBGJKXAGM-RNFRBKRXSA-N 0 0 168.236 2.152 10 30 AEEERN CC[C@@H]1C=CC(=O)CCC1 36466137 572214494 /nfs/dbraw/zinc/21/44/94/572214494.db2.gz SZIBAEQSCJPPHK-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN COC1=C(C)C(=O)[C@H](C)[C@@H](C)C1 196475349 572214556 /nfs/dbraw/zinc/21/45/56/572214556.db2.gz AVALTSBGJKXAGM-NKWVEPMBSA-N 0 0 168.236 2.152 10 30 AEEERN CCC[C@H](O)C#CC[Si](C)(C)C 196475476 572214595 /nfs/dbraw/zinc/21/45/95/572214595.db2.gz XWKYSECEIVWOKG-JTQLQIEISA-N 0 0 184.355 2.489 10 30 AEEERN C=CCCC[C@H](O)CCCOC 83439418 572215130 /nfs/dbraw/zinc/21/51/30/572215130.db2.gz UCWFCHLRRRROTQ-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN CCC[C@@H](O)C#CC[Si](C)(C)C 196475482 572215164 /nfs/dbraw/zinc/21/51/64/572215164.db2.gz XWKYSECEIVWOKG-SNVBAGLBSA-N 0 0 184.355 2.489 10 30 AEEERN C=C([C@@H](O)CC)[Si](C)(C)C 196477363 572215265 /nfs/dbraw/zinc/21/52/65/572215265.db2.gz KJXMNNMTGBMECA-QMMMGPOBSA-N 0 0 158.317 2.191 10 30 AEEERN C=CCCCC(=O)CCCOC 83439060 572215294 /nfs/dbraw/zinc/21/52/94/572215294.db2.gz SBHPBXAOCQUQDE-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C=C(C)Cc1ccccc(C)c1=O 196478042 572215330 /nfs/dbraw/zinc/21/53/30/572215330.db2.gz CMJNOFFTWCNWIV-UHFFFAOYSA-N 0 0 174.243 2.474 10 30 AEEERN COC1=C(C)C(=O)[C@@H](C)[C@H](C)C1 196475364 572215933 /nfs/dbraw/zinc/21/59/33/572215933.db2.gz AVALTSBGJKXAGM-RQJHMYQMSA-N 0 0 168.236 2.152 10 30 AEEERN COC1=C(C)C(=O)[C@@H](C)[C@@H](C)C1 196475374 572216059 /nfs/dbraw/zinc/21/60/59/572216059.db2.gz AVALTSBGJKXAGM-BQBZGAKWSA-N 0 0 168.236 2.152 10 30 AEEERN CC(C)(C=O)CC#C[Si](C)(C)C 196473906 572216066 /nfs/dbraw/zinc/21/60/66/572216066.db2.gz QJNUKLWUSFIQSL-UHFFFAOYSA-N 0 0 182.339 2.482 10 30 AEEERN O=C(C(=C1CC1)C1CC1)C1CC1 196208447 572216091 /nfs/dbraw/zinc/21/60/91/572216091.db2.gz IPXODHWNRMDITB-UHFFFAOYSA-N 0 0 162.232 2.466 10 30 AEEERN CC(=O)C#CSc1ccccc1 140442439 572216179 /nfs/dbraw/zinc/21/61/79/572216179.db2.gz IEZRNXCLINBUEB-UHFFFAOYSA-N 0 0 176.240 2.329 10 30 AEEERN C=C(CC)[C@@H]1NC(=O)O[C@@H]1C(C)C 140439483 572216272 /nfs/dbraw/zinc/21/62/72/572216272.db2.gz SSYNOMSGMHZAII-DTWKUNHWSA-N 0 0 183.251 2.086 10 30 AEEERN C[Si](C)(C)C#Cc1ccoc1C=O 196209582 572216302 /nfs/dbraw/zinc/21/63/02/572216302.db2.gz FSRPBTINJVFZKU-UHFFFAOYSA-N 0 0 192.290 2.321 10 30 AEEERN O=C[C@@H]1[C@@H]2CC=C[C@@H]2[C@@H]2CCC[C@@H]12 140443589 572216419 /nfs/dbraw/zinc/21/64/19/572216419.db2.gz NECVDRKPCWSQGE-IYKVGLELSA-N 0 0 176.259 2.424 10 30 AEEERN C=CCc1cccnc1Cl 117927786 572216424 /nfs/dbraw/zinc/21/64/24/572216424.db2.gz UHNMIWZQTJRUKK-UHFFFAOYSA-N 0 0 153.612 2.464 10 30 AEEERN Cc1cccc(SCC#N)n1 196210722 572216570 /nfs/dbraw/zinc/21/65/70/572216570.db2.gz OTTJIIVOLVQKKY-UHFFFAOYSA-N 0 0 164.233 2.006 10 30 AEEERN CC(C)(C)C#Cc1ccoc1C=O 196209587 572216579 /nfs/dbraw/zinc/21/65/79/572216579.db2.gz ZLQJPZKWMKQTRK-UHFFFAOYSA-N 0 0 176.215 2.490 10 30 AEEERN O=C1CCCCC1=C1CC1 196208470 572216637 /nfs/dbraw/zinc/21/66/37/572216637.db2.gz BQWXZYGIZDOCDC-UHFFFAOYSA-N 0 0 136.194 2.220 10 30 AEEERN CC(C)C(C)(C)C[C@@](C)(O)C=O 713231459 572216912 /nfs/dbraw/zinc/21/69/12/572216912.db2.gz YPLXTSWIRLBPTH-SNVBAGLBSA-N 0 0 172.268 2.009 10 30 AEEERN C/C(=C/[C@@H](O)[C@@H](C)C#N)C(C)(C)C 207383276 572216940 /nfs/dbraw/zinc/21/69/40/572216940.db2.gz ZITYZJRKNOAYJU-PKKHPGAQSA-N 0 0 181.279 2.499 10 30 AEEERN CCC[C@H](C)O[C@H](C)C[C@@](C)(N)C#N 687796787 572218154 /nfs/dbraw/zinc/21/81/54/572218154.db2.gz GUUILRZLFXELPO-HBNTYKKESA-N 0 0 198.310 2.211 10 30 AEEERN Cc1cc(C)c(OCC=O)c(C)c1 43803831 572217501 /nfs/dbraw/zinc/21/75/01/572217501.db2.gz YWTQVBKTHQYANX-UHFFFAOYSA-N 0 0 178.231 2.190 10 30 AEEERN C[C@H](C#N)CNc1cccc(C#N)c1 36668979 572217562 /nfs/dbraw/zinc/21/75/62/572217562.db2.gz CZUZRSOZJJECMY-SECBINFHSA-N 0 0 185.230 2.130 10 30 AEEERN CC(C)C(C)(C)C[C@](C)(O)C=O 713231456 572218554 /nfs/dbraw/zinc/21/85/54/572218554.db2.gz YPLXTSWIRLBPTH-JTQLQIEISA-N 0 0 172.268 2.009 10 30 AEEERN O=CC/C=C/Cc1ccccc1 113112998 572218720 /nfs/dbraw/zinc/21/87/20/572218720.db2.gz MIFTWQGGNCGASO-GORDUTHDSA-N 0 0 160.216 2.374 10 30 AEEERN C[C@@H](C#N)[C@H](O)C1C(C)(C)C1(C)C 207381207 572218784 /nfs/dbraw/zinc/21/87/84/572218784.db2.gz FZGADGJQEHHYGO-YUMQZZPRSA-N 0 0 181.279 2.189 10 30 AEEERN Cc1ccc(NCC#N)c(F)c1 20372400 572218955 /nfs/dbraw/zinc/21/89/55/572218955.db2.gz ZKUQAYGZVGEMAO-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN CCS[C@H](CC)CC#N 36679630 572218971 /nfs/dbraw/zinc/21/89/71/572218971.db2.gz XLYLZWYQLVLUAL-SSDOTTSWSA-N 0 0 143.255 2.432 10 30 AEEERN C[C@@H](C#N)[C@@H](O)C1C(C)(C)C1(C)C 207381252 572219136 /nfs/dbraw/zinc/21/91/36/572219136.db2.gz FZGADGJQEHHYGO-JGVFFNPUSA-N 0 0 181.279 2.189 10 30 AEEERN C/C(=C/[C@@H](O)[C@H](C)C#N)C(C)(C)C 207383322 572219152 /nfs/dbraw/zinc/21/91/52/572219152.db2.gz ZITYZJRKNOAYJU-VGEVTBTPSA-N 0 0 181.279 2.499 10 30 AEEERN N#Cc1c[nH]c(-c2ccccc2)c1C#N 34742301 572219171 /nfs/dbraw/zinc/21/91/71/572219171.db2.gz JNDNHVBXLNJBJB-UHFFFAOYSA-N 0 0 193.209 2.425 10 30 AEEERN Cc1cc(C=O)cc(C)c1OCC#N 20424520 572219177 /nfs/dbraw/zinc/21/91/77/572219177.db2.gz YTGYGTKTDHXIEB-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN CCC[C@H](C)O[C@@H](C)C[C@](C)(N)C#N 687796785 572219291 /nfs/dbraw/zinc/21/92/91/572219291.db2.gz GUUILRZLFXELPO-DCAQKATOSA-N 0 0 198.310 2.211 10 30 AEEERN CC[C@H](CC#N)n1ccnc1C 36677506 572219548 /nfs/dbraw/zinc/21/95/48/572219548.db2.gz DUCXBEAMHFPIEW-SECBINFHSA-N 0 0 163.224 2.056 10 30 AEEERN CCC[C@H](C)O[C@@H](C)C[C@@](C)(N)C#N 687796786 572219626 /nfs/dbraw/zinc/21/96/26/572219626.db2.gz GUUILRZLFXELPO-GARJFASQSA-N 0 0 198.310 2.211 10 30 AEEERN CCC[C@H](C)O[C@H](C)C[C@](C)(N)C#N 687796784 572219646 /nfs/dbraw/zinc/21/96/46/572219646.db2.gz GUUILRZLFXELPO-AXFHLTTASA-N 0 0 198.310 2.211 10 30 AEEERN CC[C@@H](CC#N)n1ccnc1C 36677505 572219957 /nfs/dbraw/zinc/21/99/57/572219957.db2.gz DUCXBEAMHFPIEW-VIFPVBQESA-N 0 0 163.224 2.056 10 30 AEEERN CC(C)(C)C#CCn1ccc(CO)c1 300769406 572220949 /nfs/dbraw/zinc/22/09/49/572220949.db2.gz PILMCSLOCJLJIT-UHFFFAOYSA-N 0 0 191.274 2.030 10 30 AEEERN C=CCN[C@@H](C#N)[C@@H](C)CC(C)C 300986675 572221349 /nfs/dbraw/zinc/22/13/49/572221349.db2.gz UYLFYGNIXNOYOH-QWRGUYRKSA-N 0 0 180.295 2.336 10 30 AEEERN CC(C)(C)C#CC[C@H]1COCCC1=O 300751551 572221461 /nfs/dbraw/zinc/22/14/61/572221461.db2.gz LGYHZZMIKSNMRK-JTQLQIEISA-N 0 0 194.274 2.032 10 30 AEEERN C=C(CO)CC(C)(C)C(=O)C(C)C 211437735 572221478 /nfs/dbraw/zinc/22/14/78/572221478.db2.gz FIKMFDCGGRFDRI-UHFFFAOYSA-N 0 0 184.279 2.176 10 30 AEEERN CC(C)(C)C#CC[C@@H]1COCCC1=O 300751552 572221589 /nfs/dbraw/zinc/22/15/89/572221589.db2.gz LGYHZZMIKSNMRK-SNVBAGLBSA-N 0 0 194.274 2.032 10 30 AEEERN CC(C)(C)C#CCn1ccc(C=O)c1 300743439 572221663 /nfs/dbraw/zinc/22/16/63/572221663.db2.gz IZFPPYIKYMDSFQ-UHFFFAOYSA-N 0 0 189.258 2.350 10 30 AEEERN CC(C)C[C@@H](C)[C@H](C#N)NC1CC1 300988776 572223791 /nfs/dbraw/zinc/22/37/91/572223791.db2.gz VEWKVXIMGGGDPA-KOLCDFICSA-N 0 0 180.295 2.313 10 30 AEEERN C=CCN[C@@H](C#N)[C@H](C)CC(C)C 300986674 572222001 /nfs/dbraw/zinc/22/20/01/572222001.db2.gz UYLFYGNIXNOYOH-MNOVXSKESA-N 0 0 180.295 2.336 10 30 AEEERN C=CCN[C@H](C#N)[C@@H](C)CC(C)C 300986676 572222258 /nfs/dbraw/zinc/22/22/58/572222258.db2.gz UYLFYGNIXNOYOH-WDEREUQCSA-N 0 0 180.295 2.336 10 30 AEEERN CC(C)(C)C#CCC(=O)[C@@H]1CCCO1 300799635 572222516 /nfs/dbraw/zinc/22/25/16/572222516.db2.gz VGTFAZGMCVNKRW-NSHDSACASA-N 0 0 194.274 2.174 10 30 AEEERN Cc1ccc(F)c(NCC#N)c1 20471915 572222544 /nfs/dbraw/zinc/22/25/44/572222544.db2.gz PRHQUUTZDAMVBQ-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN C#CCCC(=O)/C(=C\C)CC 234109385 572222730 /nfs/dbraw/zinc/22/27/30/572222730.db2.gz WBJIKRFJQMIBCM-UITAMQMPSA-N 0 0 150.221 2.325 10 30 AEEERN C=CCN[C@H](C#N)[C@H](C)CC(C)C 300986673 572222861 /nfs/dbraw/zinc/22/28/61/572222861.db2.gz UYLFYGNIXNOYOH-GHMZBOCLSA-N 0 0 180.295 2.336 10 30 AEEERN C[C@@H](S)c1ccc(O)cc1 20476582 572222876 /nfs/dbraw/zinc/22/28/76/572222876.db2.gz ZSZDWIZXMJRQDY-ZCFIWIBFSA-N 0 0 154.234 2.383 10 30 AEEERN O=CCCOCc1ccc(Cl)cc1 83473957 572222949 /nfs/dbraw/zinc/22/29/49/572222949.db2.gz HSPYWDSMDBWGNX-UHFFFAOYSA-N 0 0 198.649 2.446 10 30 AEEERN C[C@H](S)c1ccc(O)cc1 20476583 572223003 /nfs/dbraw/zinc/22/30/03/572223003.db2.gz ZSZDWIZXMJRQDY-LURJTMIESA-N 0 0 154.234 2.383 10 30 AEEERN CC(C)Oc1ccc(NCC#N)cc1 20473107 572223407 /nfs/dbraw/zinc/22/34/07/572223407.db2.gz SYNVACOPLONUTN-UHFFFAOYSA-N 0 0 190.246 2.409 10 30 AEEERN O=CCCOCc1cccc(Cl)c1 83473930 572223424 /nfs/dbraw/zinc/22/34/24/572223424.db2.gz XXFCVIUDAINYMC-UHFFFAOYSA-N 0 0 198.649 2.446 10 30 AEEERN O=CCc1c[nH]c2ccc(F)cc12 20446195 572223433 /nfs/dbraw/zinc/22/34/33/572223433.db2.gz UEEMQRYSJQAOEX-UHFFFAOYSA-N 0 0 177.178 2.048 10 30 AEEERN O=CCOCc1cccc(Cl)c1 83473917 572223449 /nfs/dbraw/zinc/22/34/49/572223449.db2.gz ZQNAWGAQGADLCR-UHFFFAOYSA-N 0 0 184.622 2.056 10 30 AEEERN C/C=C(/CC)C(=O)c1cnccn1 234115116 572224450 /nfs/dbraw/zinc/22/44/50/572224450.db2.gz PXLOEBMVQJEGAK-BAQGIRSFSA-N 0 0 176.219 2.016 10 30 AEEERN Clc1cccc(COC[C@@H]2CO2)c1 83473642 572224462 /nfs/dbraw/zinc/22/44/62/572224462.db2.gz YSGIVEYGGPKOJJ-SNVBAGLBSA-N 0 0 198.649 2.255 10 30 AEEERN Clc1cccc(COC[C@H]2CO2)c1 83473644 572224655 /nfs/dbraw/zinc/22/46/55/572224655.db2.gz YSGIVEYGGPKOJJ-JTQLQIEISA-N 0 0 198.649 2.255 10 30 AEEERN CC[C@H]1OCC[C@H]1C(=O)C1=CCCC1 234113489 572224750 /nfs/dbraw/zinc/22/47/50/572224750.db2.gz NARQMCJNBCZWMF-GHMZBOCLSA-N 0 0 194.274 2.481 10 30 AEEERN O=C(CCCl)N(O)c1ccccc1 39594486 572225065 /nfs/dbraw/zinc/22/50/65/572225065.db2.gz BHUPCWOUYOXNNU-UHFFFAOYSA-N 0 0 199.637 2.038 10 30 AEEERN C[C@H](CC#N)N[C@H](C)c1ccco1 37871464 572225089 /nfs/dbraw/zinc/22/50/89/572225089.db2.gz JXFLVPNMORIDPY-RKDXNWHRSA-N 0 0 178.235 2.232 10 30 AEEERN CC(C)C[C@H](C)[C@@H](C#N)NC1CC1 300988774 572225206 /nfs/dbraw/zinc/22/52/06/572225206.db2.gz VEWKVXIMGGGDPA-GXSJLCMTSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H]1CCC[C@H](OCC#N)C1 20515167 572225449 /nfs/dbraw/zinc/22/54/49/572225449.db2.gz AQSNYJGXULXUII-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN C#CCCC[C@H](NN)[C@H](C)CCCC 300989436 572225455 /nfs/dbraw/zinc/22/54/55/572225455.db2.gz VQFIPVVSDUCPLN-NEPJUHHUSA-N 0 0 196.338 2.448 10 30 AEEERN C[C@@H]1CCC[C@@H](OCCC#N)C1 20515063 572225523 /nfs/dbraw/zinc/22/55/23/572225523.db2.gz BPWXCFNVCQYAMD-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CC#CC[C@H](O)/C=C\c1ccccc1 221217432 572225672 /nfs/dbraw/zinc/22/56/72/572225672.db2.gz YFMZUKLACXGZMY-OEYXZAGESA-N 0 0 186.254 2.474 10 30 AEEERN C#CCCC[C@@H](NN)[C@H](C)CCCC 300989445 572225742 /nfs/dbraw/zinc/22/57/42/572225742.db2.gz VQFIPVVSDUCPLN-VXGBXAGGSA-N 0 0 196.338 2.448 10 30 AEEERN C[C@H](CC#N)NCc1cccs1 37871382 572225848 /nfs/dbraw/zinc/22/58/48/572225848.db2.gz COYQYPDHJRHTLH-MRVPVSSYSA-N 0 0 180.276 2.140 10 30 AEEERN CCC(C)(C)OCCC#N 20514796 572225922 /nfs/dbraw/zinc/22/59/22/572225922.db2.gz XPJKXSVODADBJE-UHFFFAOYSA-N 0 0 141.214 2.105 10 30 AEEERN C#CCCC[C@@H](NN)[C@@H](C)CCCC 300989439 572225942 /nfs/dbraw/zinc/22/59/42/572225942.db2.gz VQFIPVVSDUCPLN-NWDGAFQWSA-N 0 0 196.338 2.448 10 30 AEEERN CC#CCC(=O)CSCCC 83486697 572226116 /nfs/dbraw/zinc/22/61/16/572226116.db2.gz JNRQVOCMRBGHQL-UHFFFAOYSA-N 0 0 170.277 2.112 10 30 AEEERN CC[C@H]1OCC[C@H]1C(=O)C=C(C)C 234113724 572226133 /nfs/dbraw/zinc/22/61/33/572226133.db2.gz UIHVYRPKQILBPD-GXSJLCMTSA-N 0 0 182.263 2.337 10 30 AEEERN C#CCCC(=O)CSCCC 83486757 572226182 /nfs/dbraw/zinc/22/61/82/572226182.db2.gz DJIQVVNPHCBUNP-UHFFFAOYSA-N 0 0 170.277 2.112 10 30 AEEERN C#CCCC(=O)N(C)c1ccccc1 113131287 572226342 /nfs/dbraw/zinc/22/63/42/572226342.db2.gz GKBNZORLTRSHAL-UHFFFAOYSA-N 0 0 187.242 2.063 10 30 AEEERN C=CCCC[C@@H](O)CSCC 83484927 572226352 /nfs/dbraw/zinc/22/63/52/572226352.db2.gz LSEOQOYFVLGVOD-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN C=CCC[C@H](O)CSCCC 83487054 572226404 /nfs/dbraw/zinc/22/64/04/572226404.db2.gz UVKNYVUXALKXEL-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=C(C)[C@H](NN)[C@H](C)CCCC 300990551 572226578 /nfs/dbraw/zinc/22/65/78/572226578.db2.gz VTVQSXLNKOTBTP-ZJUUUORDSA-N 0 0 170.300 2.221 10 30 AEEERN C=CCCC[C@H](O)CSCC 83484928 572226602 /nfs/dbraw/zinc/22/66/02/572226602.db2.gz LSEOQOYFVLGVOD-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C[C@@H]1CCC[C@H](OCC#N)C1 20515164 572226762 /nfs/dbraw/zinc/22/67/62/572226762.db2.gz AQSNYJGXULXUII-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C=CCC[C@@H](O)CSCCC 83487053 572226800 /nfs/dbraw/zinc/22/68/00/572226800.db2.gz UVKNYVUXALKXEL-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN CCSCc1nc(CC#N)cs1 83486225 572227152 /nfs/dbraw/zinc/22/71/52/572227152.db2.gz JDCLRYNGEFLLMB-UHFFFAOYSA-N 0 0 198.316 2.462 10 30 AEEERN CC#CC[C@H](O)CSCC(C)C 83491464 572229226 /nfs/dbraw/zinc/22/92/26/572229226.db2.gz SWECCXQAEIHRPS-JTQLQIEISA-N 0 0 186.320 2.150 10 30 AEEERN C=C[C@H]([NH2+][C@H](C)CCC(C)C)C(=O)[O-] 300990408 572227369 /nfs/dbraw/zinc/22/73/69/572227369.db2.gz FSMRFDZJORGWCJ-ZJUUUORDSA-N 0 0 199.294 2.040 10 30 AEEERN CC#CCC(=O)CSCC(C)C 83491335 572229240 /nfs/dbraw/zinc/22/92/40/572229240.db2.gz FXOIFCVHZXRWMH-UHFFFAOYSA-N 0 0 184.304 2.358 10 30 AEEERN C#CCn1c(C)c(CO)c2ccccc21 113652731 572227691 /nfs/dbraw/zinc/22/76/91/572227691.db2.gz JTAXKJLYJHJZGO-UHFFFAOYSA-N 0 0 199.253 2.075 10 30 AEEERN CC[C@H](C#N)C(=O)CC[C@@H]1CCCO1 83523875 572227710 /nfs/dbraw/zinc/22/77/10/572227710.db2.gz OGOZCYOHWRNANY-ZJUUUORDSA-N 0 0 195.262 2.064 10 30 AEEERN CC(C)CN(C)C1(C#N)CCCC1 687713339 572227716 /nfs/dbraw/zinc/22/77/16/572227716.db2.gz YHXRKKRNCSNZQH-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C=CC[C@@H](O)CSCC(C)C 83491562 572227796 /nfs/dbraw/zinc/22/77/96/572227796.db2.gz FNAOXWDHAJBEPF-SECBINFHSA-N 0 0 174.309 2.313 10 30 AEEERN C=C[C@H]([NH2+][C@@H](C)CCC(C)C)C(=O)[O-] 300990406 572227827 /nfs/dbraw/zinc/22/78/27/572227827.db2.gz FSMRFDZJORGWCJ-UWVGGRQHSA-N 0 0 199.294 2.040 10 30 AEEERN C=C(C)[C@H](NN)[C@@H](C)CCCC 300990549 572227861 /nfs/dbraw/zinc/22/78/61/572227861.db2.gz VTVQSXLNKOTBTP-UWVGGRQHSA-N 0 0 170.300 2.221 10 30 AEEERN CC#CC[C@@H](O)CSC(C)(C)C 83490238 572229258 /nfs/dbraw/zinc/22/92/58/572229258.db2.gz UIOFRQYYZUTNPO-SECBINFHSA-N 0 0 186.320 2.292 10 30 AEEERN CCC(O)=CC(=O)c1ccco1 687797704 572229260 /nfs/dbraw/zinc/22/92/60/572229260.db2.gz FOJACZUOFYQBSU-VURMDHGXSA-N 0 0 166.176 2.158 10 30 AEEERN C=C[C@@H]([NH2+][C@@H](C)CCC(C)C)C(=O)[O-] 300990407 572228228 /nfs/dbraw/zinc/22/82/28/572228228.db2.gz FSMRFDZJORGWCJ-VHSXEESVSA-N 0 0 199.294 2.040 10 30 AEEERN CC#CC[C@@H](O)CSCC(C)C 83491465 572228309 /nfs/dbraw/zinc/22/83/09/572228309.db2.gz SWECCXQAEIHRPS-SNVBAGLBSA-N 0 0 186.320 2.150 10 30 AEEERN C=CC[C@H](O)CSC(C)(C)C 83490335 572228333 /nfs/dbraw/zinc/22/83/33/572228333.db2.gz TUQSODBJHCXLAF-QMMMGPOBSA-N 0 0 174.309 2.455 10 30 AEEERN C[C@@H]1C[C@H]1[C@@H](O)CC#CC(C)(C)C 300765634 572228504 /nfs/dbraw/zinc/22/85/04/572228504.db2.gz OQJMQMDEGBNNMV-MXWKQRLJSA-N 0 0 180.291 2.443 10 30 AEEERN C=C(C)[C@@H](NN)[C@H](C)CCCC 300990548 572228534 /nfs/dbraw/zinc/22/85/34/572228534.db2.gz VTVQSXLNKOTBTP-NXEZZACHSA-N 0 0 170.300 2.221 10 30 AEEERN C#CCCn1c(=O)ccc2ccccc21 70339952 572228562 /nfs/dbraw/zinc/22/85/62/572228562.db2.gz OTHJURWJESEEPE-UHFFFAOYSA-N 0 0 197.237 2.025 10 30 AEEERN C=C[C@@H]([NH2+][C@H](C)CCC(C)C)C(=O)[O-] 300990405 572228575 /nfs/dbraw/zinc/22/85/75/572228575.db2.gz FSMRFDZJORGWCJ-NXEZZACHSA-N 0 0 199.294 2.040 10 30 AEEERN C=CC[C@H](O)CSCC(C)C 83491563 572228608 /nfs/dbraw/zinc/22/86/08/572228608.db2.gz FNAOXWDHAJBEPF-VIFPVBQESA-N 0 0 174.309 2.313 10 30 AEEERN C=C(C)[C@@H](NN)[C@@H](C)CCCC 300990550 572228698 /nfs/dbraw/zinc/22/86/98/572228698.db2.gz VTVQSXLNKOTBTP-VHSXEESVSA-N 0 0 170.300 2.221 10 30 AEEERN C[C@H](C#N)C(=O)c1ccc(F)c(F)c1 36935099 572230414 /nfs/dbraw/zinc/23/04/14/572230414.db2.gz UCOIJHLRWIZYEN-ZCFIWIBFSA-N 0 0 195.168 2.307 10 30 AEEERN C#CCC[C@H](O)CSC(C)(C)C 83490377 572228781 /nfs/dbraw/zinc/22/87/81/572228781.db2.gz AYPQATHZNKOPCA-VIFPVBQESA-N 0 0 186.320 2.292 10 30 AEEERN CC[C@@H](C#N)C(=O)CC[C@@H]1CCCO1 83523874 572228879 /nfs/dbraw/zinc/22/88/79/572228879.db2.gz OGOZCYOHWRNANY-UWVGGRQHSA-N 0 0 195.262 2.064 10 30 AEEERN CC[C@H](C#N)C(=O)CC[C@H]1CCCO1 83523877 572228935 /nfs/dbraw/zinc/22/89/35/572228935.db2.gz OGOZCYOHWRNANY-NXEZZACHSA-N 0 0 195.262 2.064 10 30 AEEERN CSCCN(C)C1(C#N)CCCC1 687713386 572229127 /nfs/dbraw/zinc/22/91/27/572229127.db2.gz KLWHBFXIMASQEG-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN C#CCCC(=O)CSCC(C)C 83491379 572229135 /nfs/dbraw/zinc/22/91/35/572229135.db2.gz RWIXIKMUUMSFKD-UHFFFAOYSA-N 0 0 184.304 2.358 10 30 AEEERN C#CCC[C@H](O)CSCC(C)C 83491605 572229150 /nfs/dbraw/zinc/22/91/50/572229150.db2.gz GDCSSKYCOKPSAF-JTQLQIEISA-N 0 0 186.320 2.150 10 30 AEEERN CCSCCN(C)C1(C#N)CCC1 687713422 572229152 /nfs/dbraw/zinc/22/91/52/572229152.db2.gz IRGOMXFKVVMRQH-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN CC#CC[C@H](O)CSC(C)(C)C 83490237 572229153 /nfs/dbraw/zinc/22/91/53/572229153.db2.gz UIOFRQYYZUTNPO-VIFPVBQESA-N 0 0 186.320 2.292 10 30 AEEERN CC[C@@H](C#N)C(=O)[C@H](C)CC 36916104 572230506 /nfs/dbraw/zinc/23/05/06/572230506.db2.gz DWKVOEUZSKVDEU-SFYZADRCSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@@H](C)C(=O)[C@@H](C#N)CC 36916106 572230508 /nfs/dbraw/zinc/23/05/08/572230508.db2.gz DWKVOEUZSKVDEU-HTQZYQBOSA-N 0 0 153.225 2.151 10 30 AEEERN C#CCC[C@@H](O)CSCC(C)C 83491604 572229669 /nfs/dbraw/zinc/22/96/69/572229669.db2.gz GDCSSKYCOKPSAF-SNVBAGLBSA-N 0 0 186.320 2.150 10 30 AEEERN CC[C@@H](C#N)C(=O)CC[C@H]1CCCO1 83523876 572229775 /nfs/dbraw/zinc/22/97/75/572229775.db2.gz OGOZCYOHWRNANY-VHSXEESVSA-N 0 0 195.262 2.064 10 30 AEEERN C#CCC[C@@H](O)CSC(C)(C)C 83490376 572229788 /nfs/dbraw/zinc/22/97/88/572229788.db2.gz AYPQATHZNKOPCA-SECBINFHSA-N 0 0 186.320 2.292 10 30 AEEERN CC(C)CCC(=O)[C@@H](C)C#N 36931554 572230001 /nfs/dbraw/zinc/23/00/01/572230001.db2.gz OFWFFJQXRXTZDD-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN C#C[C@H](Nc1cccnc1C#N)C(C)C 300992026 572230034 /nfs/dbraw/zinc/23/00/34/572230034.db2.gz VTRHEYDYQSEDJW-JTQLQIEISA-N 0 0 199.257 2.023 10 30 AEEERN CC[C@H](C)C(=O)[C@H](C#N)CC 36916105 572230138 /nfs/dbraw/zinc/23/01/38/572230138.db2.gz DWKVOEUZSKVDEU-YUMQZZPRSA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)CCC(=O)[C@H](C)C#N 36931555 572230333 /nfs/dbraw/zinc/23/03/33/572230333.db2.gz OFWFFJQXRXTZDD-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C#N)C(=O)CC(C)C 36916089 572230464 /nfs/dbraw/zinc/23/04/64/572230464.db2.gz GILJFOGEZVIFGB-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN C#C[C@@H](Nc1cccnc1C#N)C(C)C 300992027 572230541 /nfs/dbraw/zinc/23/05/41/572230541.db2.gz VTRHEYDYQSEDJW-SNVBAGLBSA-N 0 0 199.257 2.023 10 30 AEEERN Cc1ccc(C(=O)[C@@H](C)C#N)cc1F 36935193 572231797 /nfs/dbraw/zinc/23/17/97/572231797.db2.gz YBZIEYSGPGNGOE-QMMMGPOBSA-N 0 0 191.205 2.477 10 30 AEEERN CN(CCC#N)Cc1cc(Cl)c[nH]1 687713619 572231212 /nfs/dbraw/zinc/23/12/12/572231212.db2.gz XICVPBUUXLQLPT-UHFFFAOYSA-N 0 0 197.669 2.014 10 30 AEEERN CC[C@@H](C#N)C(=O)CC(C)C 36916088 572231241 /nfs/dbraw/zinc/23/12/41/572231241.db2.gz GILJFOGEZVIFGB-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN CSCCCN(C)C1(C#N)CCC1 687713680 572231461 /nfs/dbraw/zinc/23/14/61/572231461.db2.gz QIMCHVWDPBSQTQ-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN Cc1ccc(C(=O)[C@H](C)C#N)cc1F 36935195 572231601 /nfs/dbraw/zinc/23/16/01/572231601.db2.gz YBZIEYSGPGNGOE-MRVPVSSYSA-N 0 0 191.205 2.477 10 30 AEEERN CC#CCN(C)Cc1cc(Cl)c[nH]1 687713598 572231610 /nfs/dbraw/zinc/23/16/10/572231610.db2.gz KHRLMBMDWCCEGU-UHFFFAOYSA-N 0 0 196.681 2.123 10 30 AEEERN CC(C)N[C@@H](C#N)c1cccc(F)c1 36924728 572231701 /nfs/dbraw/zinc/23/17/01/572231701.db2.gz HBGWBICEBBJYBP-NSHDSACASA-N 0 0 192.237 2.388 10 30 AEEERN CC(C)N[C@H](C#N)c1ccsc1 36924725 572231737 /nfs/dbraw/zinc/23/17/37/572231737.db2.gz CMNNBNANQQKHNC-SECBINFHSA-N 0 0 180.276 2.311 10 30 AEEERN CC(C)(C)C#CC[C@H](O)C1CC1 300757963 572231750 /nfs/dbraw/zinc/23/17/50/572231750.db2.gz NBVNNYKEIGAVJP-JTQLQIEISA-N 0 0 166.264 2.197 10 30 AEEERN CCC(C#N)(CC)NC(C)C 36924730 572232045 /nfs/dbraw/zinc/23/20/45/572232045.db2.gz LYQQWCSUGZCIGD-UHFFFAOYSA-N 0 0 154.257 2.067 10 30 AEEERN C[C@@H](O)C#C/C(F)=C/c1ccccc1 220566319 572232075 /nfs/dbraw/zinc/23/20/75/572232075.db2.gz XFRXDVZKKUMWSL-WJEYQPDNSA-N 0 0 190.217 2.381 10 30 AEEERN CC(C)(C)C#CCC(=O)[C@H]1CCCO1 300799633 572232205 /nfs/dbraw/zinc/23/22/05/572232205.db2.gz VGTFAZGMCVNKRW-LLVKDONJSA-N 0 0 194.274 2.174 10 30 AEEERN C[C@H](O)C#C/C(F)=C/c1ccccc1 220566193 572232317 /nfs/dbraw/zinc/23/23/17/572232317.db2.gz XFRXDVZKKUMWSL-JMZICWNOSA-N 0 0 190.217 2.381 10 30 AEEERN C#C[C@H](O)c1cccc(Cl)c1C 220564027 572232416 /nfs/dbraw/zinc/23/24/16/572232416.db2.gz KYIZKWOQJYQQHV-JTQLQIEISA-N 0 0 180.634 2.315 10 30 AEEERN C[C@@H](C=O)CCC[C@@H]1CCCO1 83531584 572232582 /nfs/dbraw/zinc/23/25/82/572232582.db2.gz WBCUPLYGJYFVCM-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C#CCC(=O)CS[C@H](C)CC 83498309 572233160 /nfs/dbraw/zinc/23/31/60/572233160.db2.gz HBFKZTUZOBZVTP-MRVPVSSYSA-N 0 0 170.277 2.111 10 30 AEEERN CC[C@@H](CC#N)[N@H+](C)C(C)C 36986715 572232701 /nfs/dbraw/zinc/23/27/01/572232701.db2.gz IYBUETDKIAVQEI-VIFPVBQESA-N 0 0 154.257 2.019 10 30 AEEERN C=CC[C@@H](O)CS[C@@H](C)CC 83498734 572232713 /nfs/dbraw/zinc/23/27/13/572232713.db2.gz KMZPBNIPHIPOAF-DTWKUNHWSA-N 0 0 174.309 2.455 10 30 AEEERN C=CCC[C@H](C[C@H]1C[C@@H]1C1CC1)NN 712963521 572232741 /nfs/dbraw/zinc/23/27/41/572232741.db2.gz OSQSWJUIXHOOPH-QJPTWQEYSA-N 0 0 194.322 2.221 10 30 AEEERN O=CCCCCC[C@@H]1CCCO1 83531564 572232819 /nfs/dbraw/zinc/23/28/19/572232819.db2.gz USFYKIGIYXNYRI-SNVBAGLBSA-N 0 0 170.252 2.315 10 30 AEEERN C#CCC[C@@H](O)CSC1CCCC1 83500559 572232908 /nfs/dbraw/zinc/23/29/08/572232908.db2.gz ZXDDYWLCRFHALG-SNVBAGLBSA-N 0 0 198.331 2.437 10 30 AEEERN C#CCC[C@H](O)CS[C@@H](C)CC 83498816 572232955 /nfs/dbraw/zinc/23/29/55/572232955.db2.gz AKJMZVOZABMCJD-UWVGGRQHSA-N 0 0 186.320 2.292 10 30 AEEERN CC[C@H](CC#N)[N@H+](C)C(C)C 36986716 572232997 /nfs/dbraw/zinc/23/29/97/572232997.db2.gz IYBUETDKIAVQEI-SECBINFHSA-N 0 0 154.257 2.019 10 30 AEEERN CC#CC[C@H](O)CS[C@@H](C)CC 83498552 572233093 /nfs/dbraw/zinc/23/30/93/572233093.db2.gz CBVWCAKHEQZKFB-UWVGGRQHSA-N 0 0 186.320 2.292 10 30 AEEERN C[C@@H](C=O)CCC[C@H]1CCCO1 83531586 572233097 /nfs/dbraw/zinc/23/30/97/572233097.db2.gz WBCUPLYGJYFVCM-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN C#CCC(=O)CSc1ccccc1 83501434 572233111 /nfs/dbraw/zinc/23/31/11/572233111.db2.gz YYYPJQIYDKMZMZ-UHFFFAOYSA-N 0 0 190.267 2.371 10 30 AEEERN C=CCC[C@H](C[C@H]1C[C@H]1C1CC1)NN 712963524 572233295 /nfs/dbraw/zinc/23/32/95/572233295.db2.gz OSQSWJUIXHOOPH-TUAOUCFPSA-N 0 0 194.322 2.221 10 30 AEEERN C#CC[C@@H](O)CSC1CCCCC1 83501090 572233343 /nfs/dbraw/zinc/23/33/43/572233343.db2.gz MCQPCBOUZGJAKX-SNVBAGLBSA-N 0 0 198.331 2.437 10 30 AEEERN C=CC[C@@H](O)CS[C@H](C)CC 83498733 572233437 /nfs/dbraw/zinc/23/34/37/572233437.db2.gz KMZPBNIPHIPOAF-RKDXNWHRSA-N 0 0 174.309 2.455 10 30 AEEERN C#CC[C@@H](O)CSC1CCCC1 83500469 572233478 /nfs/dbraw/zinc/23/34/78/572233478.db2.gz MBFPVLKWOVVLQG-SECBINFHSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CC[C@@H](O)CS[C@@H](C)CC 83498550 572233578 /nfs/dbraw/zinc/23/35/78/572233578.db2.gz CBVWCAKHEQZKFB-VHSXEESVSA-N 0 0 186.320 2.292 10 30 AEEERN O=CCCCCC[C@H]1CCCO1 83531563 572233697 /nfs/dbraw/zinc/23/36/97/572233697.db2.gz USFYKIGIYXNYRI-JTQLQIEISA-N 0 0 170.252 2.315 10 30 AEEERN C#CCC(=O)CS[C@@H](C)CC 83498310 572233708 /nfs/dbraw/zinc/23/37/08/572233708.db2.gz HBFKZTUZOBZVTP-QMMMGPOBSA-N 0 0 170.277 2.111 10 30 AEEERN C#CC[C@H](O)CSC1CCCCC1 83501089 572233729 /nfs/dbraw/zinc/23/37/29/572233729.db2.gz MCQPCBOUZGJAKX-JTQLQIEISA-N 0 0 198.331 2.437 10 30 AEEERN C#CCC[C@@H](O)CS[C@@H](C)CC 83498814 572233767 /nfs/dbraw/zinc/23/37/67/572233767.db2.gz AKJMZVOZABMCJD-VHSXEESVSA-N 0 0 186.320 2.292 10 30 AEEERN CC#CC[C@H](O)CS[C@H](C)CC 83498551 572233877 /nfs/dbraw/zinc/23/38/77/572233877.db2.gz CBVWCAKHEQZKFB-ZJUUUORDSA-N 0 0 186.320 2.292 10 30 AEEERN C#CC[C@H](O)CSC1CCCC1 83500468 572233887 /nfs/dbraw/zinc/23/38/87/572233887.db2.gz MBFPVLKWOVVLQG-VIFPVBQESA-N 0 0 184.304 2.046 10 30 AEEERN C[C@H](C=O)CCC[C@H]1CCCO1 83531585 572233889 /nfs/dbraw/zinc/23/38/89/572233889.db2.gz WBCUPLYGJYFVCM-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN C#CCC[C@@H](O)CS[C@H](C)CC 83498813 572233942 /nfs/dbraw/zinc/23/39/42/572233942.db2.gz AKJMZVOZABMCJD-NXEZZACHSA-N 0 0 186.320 2.292 10 30 AEEERN C#CCC[C@H](O)CS[C@H](C)CC 83498815 572233940 /nfs/dbraw/zinc/23/39/40/572233940.db2.gz AKJMZVOZABMCJD-ZJUUUORDSA-N 0 0 186.320 2.292 10 30 AEEERN CC#CC[C@@H](O)CSC1CCCC1 83500471 572234034 /nfs/dbraw/zinc/23/40/34/572234034.db2.gz NFNBERKHWMLZQP-SNVBAGLBSA-N 0 0 198.331 2.437 10 30 AEEERN C#CCC[C@H](O)CSC1CCCC1 83500558 572234038 /nfs/dbraw/zinc/23/40/38/572234038.db2.gz ZXDDYWLCRFHALG-JTQLQIEISA-N 0 0 198.331 2.437 10 30 AEEERN CC#CC[C@H](O)CSC1CCCC1 83500470 572234039 /nfs/dbraw/zinc/23/40/39/572234039.db2.gz NFNBERKHWMLZQP-JTQLQIEISA-N 0 0 198.331 2.437 10 30 AEEERN C#CC[C@H](O)CSc1ccccc1 83501471 572234092 /nfs/dbraw/zinc/23/40/92/572234092.db2.gz RPTBXCVLEJXMDF-JTQLQIEISA-N 0 0 192.283 2.163 10 30 AEEERN C=CC[C@H](O)CS[C@H](C)CC 83498735 572234097 /nfs/dbraw/zinc/23/40/97/572234097.db2.gz KMZPBNIPHIPOAF-BDAKNGLRSA-N 0 0 174.309 2.455 10 30 AEEERN CC#CC[C@@H](O)CS[C@H](C)CC 83498549 572234122 /nfs/dbraw/zinc/23/41/22/572234122.db2.gz CBVWCAKHEQZKFB-NXEZZACHSA-N 0 0 186.320 2.292 10 30 AEEERN C=CC[C@H](O)CS[C@@H](C)CC 83498736 572234160 /nfs/dbraw/zinc/23/41/60/572234160.db2.gz KMZPBNIPHIPOAF-IUCAKERBSA-N 0 0 174.309 2.455 10 30 AEEERN CC(C)(C)C#CC[C@H](O)C(F)F 300726761 572234523 /nfs/dbraw/zinc/23/45/23/572234523.db2.gz DKFJOUMAEOCOQZ-ZETCQYMHSA-N 0 0 176.206 2.052 10 30 AEEERN CC[C@H](C)S[C@H](CC)/C(N)=N/O 43542157 572236573 /nfs/dbraw/zinc/23/65/73/572236573.db2.gz ZQHZXZCPEMPBHH-NKWVEPMBSA-N 0 0 190.312 2.043 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CCC(F)(F)C1 300776293 572235066 /nfs/dbraw/zinc/23/50/66/572235066.db2.gz SQKWLRUQPVKZEX-YUMQZZPRSA-N 0 0 176.206 2.359 10 30 AEEERN C=CC[C@H](O)[C@H]1CCC(F)(F)C1 300748801 572235155 /nfs/dbraw/zinc/23/51/55/572235155.db2.gz FHUZTVJTDTYDEU-YUMQZZPRSA-N 0 0 176.206 2.359 10 30 AEEERN C/C=C\C(=C\C(=O)CC)OC 222204833 572235228 /nfs/dbraw/zinc/23/52/28/572235228.db2.gz SLEGZLJYBQUTNJ-PJPBHMPJSA-N 0 0 154.209 2.072 10 30 AEEERN C=C[C@@H](O)C[C@H](C=C)C(C)C 222253029 572235526 /nfs/dbraw/zinc/23/55/26/572235526.db2.gz LPGCULDFHUQRJK-VHSXEESVSA-N 0 0 154.253 2.382 10 30 AEEERN C=CCc1ccnn1C(C)C 300734539 572235556 /nfs/dbraw/zinc/23/55/56/572235556.db2.gz FTZZFCSHTOHAML-UHFFFAOYSA-N 0 0 150.225 2.193 10 30 AEEERN C=C[C@@H](O)C[C@@H](C=C)C(C)C 222252974 572235823 /nfs/dbraw/zinc/23/58/23/572235823.db2.gz LPGCULDFHUQRJK-NXEZZACHSA-N 0 0 154.253 2.382 10 30 AEEERN C[C@@H](CO)SCC#CC(C)(C)C 300752047 572235970 /nfs/dbraw/zinc/23/59/70/572235970.db2.gz LLFYBHJLAWCXKQ-VIFPVBQESA-N 0 0 186.320 2.150 10 30 AEEERN CC[C@@](C)([NH3+])C(=O)CC#CC(C)(C)C 300762544 572236050 /nfs/dbraw/zinc/23/60/50/572236050.db2.gz NZWWUJJHHAMOQW-GFCCVEGCSA-N 0 0 195.306 2.123 10 30 AEEERN C/C=C/[C@@H]1CC[C@@H]2O[C@@H]2C1 20911519 572236167 /nfs/dbraw/zinc/23/61/67/572236167.db2.gz SSABYWTUXCMAEJ-XRPQERQRSA-N 0 0 138.210 2.130 10 30 AEEERN CC(C)Nc1cccc(OCC#N)c1 37069702 572236316 /nfs/dbraw/zinc/23/63/16/572236316.db2.gz GKGPIBGJUWAJKJ-UHFFFAOYSA-N 0 0 190.246 2.409 10 30 AEEERN CC[C@@H](C#N)N(CC)[C@H](C)CC 43556270 572236740 /nfs/dbraw/zinc/23/67/40/572236740.db2.gz XUCQWYSVLLHTAR-ZJUUUORDSA-N 0 0 168.284 2.409 10 30 AEEERN CC(C)(C)C=C=CC(=O)c1ncc[nH]1 300787255 572236858 /nfs/dbraw/zinc/23/68/58/572236858.db2.gz SNCZGPSTLQXZIJ-UHFFFAOYSA-N 0 0 190.246 2.032 10 30 AEEERN CC[C@@H](C)S[C@H](CC)/C(N)=N/O 43542156 572236974 /nfs/dbraw/zinc/23/69/74/572236974.db2.gz ZQHZXZCPEMPBHH-RNFRBKRXSA-N 0 0 190.312 2.043 10 30 AEEERN CCCCS[C@@H](CC)/C(N)=N/O 43542246 572237979 /nfs/dbraw/zinc/23/79/79/572237979.db2.gz BMWVIBUIFKPVAZ-ZETCQYMHSA-N 0 0 190.312 2.045 10 30 AEEERN CCCC[C@H](CC)C/C(N)=N/O 43455017 572238249 /nfs/dbraw/zinc/23/82/49/572238249.db2.gz HUDODAPSJQDGSH-QMMMGPOBSA-N 0 0 172.272 2.339 10 30 AEEERN CC[C@H](C)N(CC)[C@H](C#N)CC 43556272 572238454 /nfs/dbraw/zinc/23/84/54/572238454.db2.gz XUCQWYSVLLHTAR-UWVGGRQHSA-N 0 0 168.284 2.409 10 30 AEEERN CC[C@H](C)CN(C)[C@H](C#N)CC 43556278 572238667 /nfs/dbraw/zinc/23/86/67/572238667.db2.gz OKTGXPPDMYDWTI-UWVGGRQHSA-N 0 0 168.284 2.266 10 30 AEEERN CC[C@H](C)S[C@@H](CC)/C(N)=N/O 43542155 572239221 /nfs/dbraw/zinc/23/92/21/572239221.db2.gz ZQHZXZCPEMPBHH-BQBZGAKWSA-N 0 0 190.312 2.043 10 30 AEEERN CC[C@@H](C#N)N(CCOC)[C@H](C)CC 43556760 572238826 /nfs/dbraw/zinc/23/88/26/572238826.db2.gz FIFHQAVYPULNGD-MNOVXSKESA-N 0 0 198.310 2.035 10 30 AEEERN CC[C@H](S[C@H](C)CC)/C(N)=N/O 43542154 572239093 /nfs/dbraw/zinc/23/90/93/572239093.db2.gz ZQHZXZCPEMPBHH-RQJHMYQMSA-N 0 0 190.312 2.043 10 30 AEEERN CCC[C@H](C)N(C)[C@H](C#N)CC 43556350 572239131 /nfs/dbraw/zinc/23/91/31/572239131.db2.gz XVLQMUKWVAOHNN-UWVGGRQHSA-N 0 0 168.284 2.409 10 30 AEEERN CCC[C@@H](C)N(C)[C@H](C#N)CC 43556349 572239271 /nfs/dbraw/zinc/23/92/71/572239271.db2.gz XVLQMUKWVAOHNN-ZJUUUORDSA-N 0 0 168.284 2.409 10 30 AEEERN CCCCS[C@H](CC)/C(N)=N/O 43542247 572239280 /nfs/dbraw/zinc/23/92/80/572239280.db2.gz BMWVIBUIFKPVAZ-SSDOTTSWSA-N 0 0 190.312 2.045 10 30 AEEERN C=CCCNc1ccc(OC)nc1 70591205 572239382 /nfs/dbraw/zinc/23/93/82/572239382.db2.gz ZLVYNAPOGDSRFA-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN CCCC(=O)/C=C/N(CC)CC 222804229 572239509 /nfs/dbraw/zinc/23/95/09/572239509.db2.gz MBSWDDBQSBDXET-CMDGGOBGSA-N 0 0 169.268 2.211 10 30 AEEERN CC[C@@H](C#N)N(C)C[C@H](C)CC 43556276 572239519 /nfs/dbraw/zinc/23/95/19/572239519.db2.gz OKTGXPPDMYDWTI-ZJUUUORDSA-N 0 0 168.284 2.266 10 30 AEEERN C#C[C@H](Nc1cnccc1C#N)C(C)C 300998731 572240263 /nfs/dbraw/zinc/24/02/63/572240263.db2.gz WTUDAZAZKNJBPM-NSHDSACASA-N 0 0 199.257 2.023 10 30 AEEERN C=CCCCNc1ccc(OC)nc1 70591206 572240304 /nfs/dbraw/zinc/24/03/04/572240304.db2.gz WXVXGBSCVQUONY-UHFFFAOYSA-N 0 0 192.262 2.468 10 30 AEEERN C#C[C@@H](Nc1cnccc1C#N)C(C)C 300998728 572240453 /nfs/dbraw/zinc/24/04/53/572240453.db2.gz WTUDAZAZKNJBPM-LLVKDONJSA-N 0 0 199.257 2.023 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H]2O[C@@H]2C1 21117539 572240790 /nfs/dbraw/zinc/24/07/90/572240790.db2.gz GWTBFUAMKASJAX-HRDYMLBCSA-N 0 0 138.210 2.130 10 30 AEEERN CC(C)[C@@H]1CC[C@@H]2O[C@@H]2C1 21116360 572241043 /nfs/dbraw/zinc/24/10/43/572241043.db2.gz KIIIHCHMVSTEOF-HRDYMLBCSA-N 0 0 140.226 2.210 10 30 AEEERN C=CCCC[C@H](/C=C\CO)CCCO 223131388 572242057 /nfs/dbraw/zinc/24/20/57/572242057.db2.gz FHXDROVNINNSGL-VVEJJEBESA-N 0 0 198.306 2.280 10 30 AEEERN CCC(=O)/C=C\c1cccc(CO)c1 223012437 572241431 /nfs/dbraw/zinc/24/14/31/572241431.db2.gz YAAZIDZDZDBINM-SREVYHEPSA-N 0 0 190.242 2.171 10 30 AEEERN C=CCCC[C@@H]1CC[C@@H]1O 222975217 572241950 /nfs/dbraw/zinc/24/19/50/572241950.db2.gz NMQCRXLYMXWHGH-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C[C@@H](C#N)CN(C)c1ccccc1C#N 44348884 572242804 /nfs/dbraw/zinc/24/28/04/572242804.db2.gz BXVLRWNTBKMJBZ-JTQLQIEISA-N 0 0 199.257 2.154 10 30 AEEERN C[C@H](C#N)CN(C)c1ccccc1C#N 44348881 572243924 /nfs/dbraw/zinc/24/39/24/572243924.db2.gz BXVLRWNTBKMJBZ-SNVBAGLBSA-N 0 0 199.257 2.154 10 30 AEEERN CC(C)(C=O)c1cccnc1Cl 725344955 572244639 /nfs/dbraw/zinc/24/46/39/572244639.db2.gz AMLWAGBYMCLELG-UHFFFAOYSA-N 0 0 183.638 2.212 10 30 AEEERN CCCCCC1=C(C)[C@@H](O)CC1=O 118808193 572244719 /nfs/dbraw/zinc/24/47/19/572244719.db2.gz KPXHHHHMZICWTO-JTQLQIEISA-N 0 0 182.263 2.217 10 30 AEEERN N#CCCN(Cc1ccco1)C1CC1 47848348 572245036 /nfs/dbraw/zinc/24/50/36/572245036.db2.gz AFKFJGKIVDCFNI-UHFFFAOYSA-N 0 0 190.246 2.158 10 30 AEEERN C=C1/C(=C/C)CC(C)(C)[C@H]1O 223831309 572249125 /nfs/dbraw/zinc/24/91/25/572249125.db2.gz LNKQGSOWVFADDG-QRJSTWQJSA-N 0 0 152.237 2.280 10 30 AEEERN CCCCN(CC#N)[C@H](C)CC 47848457 572245680 /nfs/dbraw/zinc/24/56/80/572245680.db2.gz NKCPICNGGXOFFE-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN C=C[C@H](C)N(CC)C[C@H](C)C#N 49572983 572249149 /nfs/dbraw/zinc/24/91/49/572249149.db2.gz UIECPUOVNVMUKQ-ZJUUUORDSA-N 0 0 166.268 2.042 10 30 AEEERN Cc1ccc2cnn(CCC#N)c2c1 45921260 572246040 /nfs/dbraw/zinc/24/60/40/572246040.db2.gz JJWYOCLUENZWDG-UHFFFAOYSA-N 0 0 185.230 2.258 10 30 AEEERN Cc1cccc2cnn(CCC#N)c12 45921257 572246158 /nfs/dbraw/zinc/24/61/58/572246158.db2.gz CZZNODGOTXZONL-UHFFFAOYSA-N 0 0 185.230 2.258 10 30 AEEERN CCCCN(CC#N)[C@@H](C)CC 47848455 572246340 /nfs/dbraw/zinc/24/63/40/572246340.db2.gz NKCPICNGGXOFFE-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN CCCCS[C@H](C)C/C(N)=N/O 48258918 572246574 /nfs/dbraw/zinc/24/65/74/572246574.db2.gz RQIBVZTYIKHVOP-SSDOTTSWSA-N 0 0 190.312 2.045 10 30 AEEERN CC[C@H](C)S[C@H](C)C/C(N)=N/O 48258844 572246587 /nfs/dbraw/zinc/24/65/87/572246587.db2.gz ZIAGJXUSWAHNRJ-NKWVEPMBSA-N 0 0 190.312 2.043 10 30 AEEERN C/C=C/c1ccccc1OCC=O 50160534 572251958 /nfs/dbraw/zinc/25/19/58/572251958.db2.gz PYINGMCIGXNSJO-GORDUTHDSA-N 0 0 176.215 2.297 10 30 AEEERN CCCCS[C@@H](C)C/C(N)=N/O 48258916 572246846 /nfs/dbraw/zinc/24/68/46/572246846.db2.gz RQIBVZTYIKHVOP-ZETCQYMHSA-N 0 0 190.312 2.045 10 30 AEEERN CC(C)CN[C@H](C#N)[C@H]1CC=CCC1 37939233 572246886 /nfs/dbraw/zinc/24/68/86/572246886.db2.gz VMVXCTWWOSMRRB-NWDGAFQWSA-N 0 0 192.306 2.480 10 30 AEEERN CC(C)CN[C@H](C#N)[C@@H]1CC=CCC1 37939235 572247289 /nfs/dbraw/zinc/24/72/89/572247289.db2.gz VMVXCTWWOSMRRB-VXGBXAGGSA-N 0 0 192.306 2.480 10 30 AEEERN CC[C@@H](C)S[C@H](C)C/C(N)=N/O 48258841 572247365 /nfs/dbraw/zinc/24/73/65/572247365.db2.gz ZIAGJXUSWAHNRJ-RNFRBKRXSA-N 0 0 190.312 2.043 10 30 AEEERN CCC(C#N)(CC)NCC(C)C 37939231 572247406 /nfs/dbraw/zinc/24/74/06/572247406.db2.gz RTTMFDWARFMQNJ-UHFFFAOYSA-N 0 0 168.284 2.314 10 30 AEEERN CC[C@@H](C#N)NCc1cccs1 37939710 572247522 /nfs/dbraw/zinc/24/75/22/572247522.db2.gz KXUFONCJYBMDGH-QMMMGPOBSA-N 0 0 180.276 2.140 10 30 AEEERN CC[C@H](C#N)NCc1cccs1 37939711 572247709 /nfs/dbraw/zinc/24/77/09/572247709.db2.gz KXUFONCJYBMDGH-MRVPVSSYSA-N 0 0 180.276 2.140 10 30 AEEERN CC(C)CN[C@@H](C#N)[C@H]1CC=CCC1 37939232 572247716 /nfs/dbraw/zinc/24/77/16/572247716.db2.gz VMVXCTWWOSMRRB-RYUDHWBXSA-N 0 0 192.306 2.480 10 30 AEEERN CC(C)CN[C@](C)(C#N)C(C)C 37939105 572247975 /nfs/dbraw/zinc/24/79/75/572247975.db2.gz PJKYVBOEIFWOJP-SNVBAGLBSA-N 0 0 168.284 2.170 10 30 AEEERN CC[C@H](C)S[C@@H](C)C/C(N)=N/O 48258839 572248077 /nfs/dbraw/zinc/24/80/77/572248077.db2.gz ZIAGJXUSWAHNRJ-BQBZGAKWSA-N 0 0 190.312 2.043 10 30 AEEERN CC[C@@H](C)S[C@@H](C)C/C(N)=N/O 48258836 572248030 /nfs/dbraw/zinc/24/80/30/572248030.db2.gz ZIAGJXUSWAHNRJ-RQJHMYQMSA-N 0 0 190.312 2.043 10 30 AEEERN C#CCCCSCC1(C#N)CC1 393372711 572249348 /nfs/dbraw/zinc/24/93/48/572249348.db2.gz PILFXLHJEVGAGC-UHFFFAOYSA-N 0 0 179.288 2.437 10 30 AEEERN CCCC1([C@@H]2CO2)CCC1 23829067 572250044 /nfs/dbraw/zinc/25/00/44/572250044.db2.gz RZTIXHZPARHFED-QMMMGPOBSA-N 0 0 140.226 2.356 10 30 AEEERN CCC(=O)/C=C\c1ccncc1 224158522 572250135 /nfs/dbraw/zinc/25/01/35/572250135.db2.gz NRQLBWPXABGVBY-ARJAWSKDSA-N 0 0 161.204 2.074 10 30 AEEERN C=C(C)/C=C\CCCC#CC=O 223715345 572250397 /nfs/dbraw/zinc/25/03/97/572250397.db2.gz HFZQABCRMMNFIL-CLFYSBASSA-N 0 0 162.232 2.491 10 30 AEEERN O=C[C@@H]1CCC[C@H]2C[C@@H]2CC1 725350182 572250411 /nfs/dbraw/zinc/25/04/11/572250411.db2.gz NYKRMAPDGPXANG-UTLUCORTSA-N 0 0 152.237 2.402 10 30 AEEERN N#CCCCCN1CCCCCC1=O 49579466 572250491 /nfs/dbraw/zinc/25/04/91/572250491.db2.gz FJGRTTJLWRIFBU-UHFFFAOYSA-N 0 0 194.278 2.083 10 30 AEEERN C=CC(C)(C)/C=C\C(C)=O 224404215 572250976 /nfs/dbraw/zinc/25/09/76/572250976.db2.gz VYHJSROXILTTKJ-SREVYHEPSA-N 0 0 138.210 2.344 10 30 AEEERN CC(C)[C@@](C)(C#N)NCC(F)(F)F 37970876 572251089 /nfs/dbraw/zinc/25/10/89/572251089.db2.gz HLFMTGIOBGIKIZ-SSDOTTSWSA-N 0 0 194.200 2.077 10 30 AEEERN CC1CCC(C#N)(N2CCC2)CC1 687715024 572251140 /nfs/dbraw/zinc/25/11/40/572251140.db2.gz UXDCXSXWCPYBEI-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN CO/C=C1\CC(C)(C)CCC1=O 224461620 572251517 /nfs/dbraw/zinc/25/15/17/572251517.db2.gz XNQMDXUASLQUBG-BQYQJAHWSA-N 0 0 168.236 2.296 10 30 AEEERN CC(C)CCC(=O)/C=C/N(C)C 224341303 572252046 /nfs/dbraw/zinc/25/20/46/572252046.db2.gz VFOKXASMLZZMOW-BQYQJAHWSA-N 0 0 169.268 2.067 10 30 AEEERN CC(C)CCC(=O)/C=C\N(C)C 224341244 572252552 /nfs/dbraw/zinc/25/25/52/572252552.db2.gz VFOKXASMLZZMOW-FPLPWBNLSA-N 0 0 169.268 2.067 10 30 AEEERN C=CCC(CC)(C(C)=O)C(C)=O 238197332 572327266 /nfs/dbraw/zinc/32/72/66/572327266.db2.gz NQKNMXWHVMWGGD-UHFFFAOYSA-N 0 0 168.236 2.137 10 30 AEEERN CCCC(C)=NN[C@@H]1CCSC1 307975073 572326768 /nfs/dbraw/zinc/32/67/68/572326768.db2.gz KFNCSDQGVJQOIN-SECBINFHSA-N 0 0 186.324 2.258 10 30 AEEERN CCCCCCCOC[C@H](O)CF 59825823 572327331 /nfs/dbraw/zinc/32/73/31/572327331.db2.gz ZTOSSTSCDBBMCU-SNVBAGLBSA-N 0 0 192.274 2.304 10 30 AEEERN CCCCCCC#C[C@](C)(CO)OC 238194115 572327524 /nfs/dbraw/zinc/32/75/24/572327524.db2.gz JRDYBYRIPBVQRJ-GFCCVEGCSA-N 0 0 198.306 2.358 10 30 AEEERN C=C[C@H](O)CCOCCCCC 238194106 572327489 /nfs/dbraw/zinc/32/74/89/572327489.db2.gz BVHPNMQAIILEFK-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN CCCCCCC#C[C@H](O)[C@@H](C)C=O 238193961 572327685 /nfs/dbraw/zinc/32/76/85/572327685.db2.gz HMUFPOUKCUCSPL-RYUDHWBXSA-N 0 0 196.290 2.156 10 30 AEEERN C#C/C(=C\CO)C1CCCCC1 307976753 572328271 /nfs/dbraw/zinc/32/82/71/572328271.db2.gz IRFNRUBRNFPUGB-CSKARUKUSA-N 0 0 164.248 2.119 10 30 AEEERN C=C[C@H](C)ONC(=O)OC(C)(C)C 307098779 572326214 /nfs/dbraw/zinc/32/62/14/572326214.db2.gz WLRFYIMORXZWOV-ZETCQYMHSA-N 0 0 187.239 2.017 10 30 AEEERN C=C[C@@H](C)N[C@@H]1CCCC1(F)F 307077513 572326323 /nfs/dbraw/zinc/32/63/23/572326323.db2.gz DODRWQFIOYQJOD-HTQZYQBOSA-N 0 0 175.222 2.338 10 30 AEEERN COc1ccc(NC2(C#N)CC2)cc1 234966112 572326376 /nfs/dbraw/zinc/32/63/76/572326376.db2.gz CNLNKKVYMVPTMQ-UHFFFAOYSA-N 0 0 188.230 2.163 10 30 AEEERN CCCC(=O)[C@H](C#N)c1ccccn1 88225313 572326446 /nfs/dbraw/zinc/32/64/46/572326446.db2.gz CGZGWWXGRVJBTR-SECBINFHSA-N 0 0 188.230 2.058 10 30 AEEERN CCCCNC1=CC(=N)O[C@@]1(C)CC 238195712 572326643 /nfs/dbraw/zinc/32/66/43/572326643.db2.gz RDLQKFQNJSDFHM-KWJWQAOWSA-N 0 0 196.294 2.227 10 30 AEEERN CCC(=O)CC[C@@H]1O[C@@]1(C)CC 238197641 572326746 /nfs/dbraw/zinc/32/67/46/572326746.db2.gz KVNWIKWVMFJJLN-UWVGGRQHSA-N 0 0 170.252 2.313 10 30 AEEERN Cc1cc(C(=O)[C@H](C)C#N)ccc1C#N 201551880 572326754 /nfs/dbraw/zinc/32/67/54/572326754.db2.gz OGFOANLGTSDMKC-SECBINFHSA-N 0 0 198.225 2.209 10 30 AEEERN CCC(=O)CCCCCC#N 238196257 572326815 /nfs/dbraw/zinc/32/68/15/572326815.db2.gz UDXGDQWMEGZYTQ-UHFFFAOYSA-N 0 0 153.225 2.440 10 30 AEEERN CCCC(C)=NN[C@H](C)C(F)F 307975733 572326871 /nfs/dbraw/zinc/32/68/71/572326871.db2.gz KSRRHGMYORCNHF-SSDOTTSWSA-N 0 0 178.226 2.406 10 30 AEEERN CCCCCCC#C[C@](C)(O)[C@@H](C)O 238194147 572326964 /nfs/dbraw/zinc/32/69/64/572326964.db2.gz APZPBDFQFWLGAN-NEPJUHHUSA-N 0 0 198.306 2.092 10 30 AEEERN CCCC(C)=NN[C@@H](C)C(F)F 307975734 572327544 /nfs/dbraw/zinc/32/75/44/572327544.db2.gz KSRRHGMYORCNHF-ZETCQYMHSA-N 0 0 178.226 2.406 10 30 AEEERN C=CCC(CC)(CC=C)C(N)=O 238197386 572327547 /nfs/dbraw/zinc/32/75/47/572327547.db2.gz QXWONNHVHQLDIZ-UHFFFAOYSA-N 0 0 167.252 2.020 10 30 AEEERN C#C[C@@](C)(OCCCCCC)[C@@H](C)O 238196104 572327576 /nfs/dbraw/zinc/32/75/76/572327576.db2.gz PPJKEJDVWMAPKJ-VXGBXAGGSA-N 0 0 198.306 2.356 10 30 AEEERN C=CCC[C@H](C)NC(=O)C(C)C 238195931 572327622 /nfs/dbraw/zinc/32/76/22/572327622.db2.gz FYHWYCNWUQORIT-VIFPVBQESA-N 0 0 169.268 2.113 10 30 AEEERN CCCC(C)=NN[C@H]1CCSC1 307975074 572327752 /nfs/dbraw/zinc/32/77/52/572327752.db2.gz KFNCSDQGVJQOIN-VIFPVBQESA-N 0 0 186.324 2.258 10 30 AEEERN CCC(=O)CCC1=CC(=O)CC1 238195957 572327818 /nfs/dbraw/zinc/32/78/18/572327818.db2.gz UPUHVPOMQQUDJS-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN C=C[C@@H](O)CCOCCCCC 238194162 572327828 /nfs/dbraw/zinc/32/78/28/572327828.db2.gz BVHPNMQAIILEFK-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN CCCCNC1=CC(=N)O[C@]1(C)CC 238195728 572327893 /nfs/dbraw/zinc/32/78/93/572327893.db2.gz RDLQKFQNJSDFHM-NASPGAHYSA-N 0 0 196.294 2.227 10 30 AEEERN C=CCC[C@@H](C)NC(=O)C(C)C 238196512 572327991 /nfs/dbraw/zinc/32/79/91/572327991.db2.gz FYHWYCNWUQORIT-SECBINFHSA-N 0 0 169.268 2.113 10 30 AEEERN C#C[C@@](C)(OCCCCCC)[C@H](C)O 238196121 572328011 /nfs/dbraw/zinc/32/80/11/572328011.db2.gz PPJKEJDVWMAPKJ-NWDGAFQWSA-N 0 0 198.306 2.356 10 30 AEEERN C=CCC[C@]1(O)C[C@@H](C)[C@@H]1C 307011261 572328552 /nfs/dbraw/zinc/32/85/52/572328552.db2.gz OQFIWMSWSMKNFE-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN CCC(=O)CC[C@@H]1O[C@]1(C)CC 238197662 572328700 /nfs/dbraw/zinc/32/87/00/572328700.db2.gz KVNWIKWVMFJJLN-VHSXEESVSA-N 0 0 170.252 2.313 10 30 AEEERN CCC(C)(C)[C@H](O)CCCC=O 238194031 572328704 /nfs/dbraw/zinc/32/87/04/572328704.db2.gz NSRAGLIYEXIPBO-SECBINFHSA-N 0 0 172.268 2.153 10 30 AEEERN CCCC(=O)[C@@H](C#N)c1ccccn1 88225312 572328732 /nfs/dbraw/zinc/32/87/32/572328732.db2.gz CGZGWWXGRVJBTR-VIFPVBQESA-N 0 0 188.230 2.058 10 30 AEEERN CCCCCCC#C[C@H](O)[C@H](C)C=O 238193997 572328757 /nfs/dbraw/zinc/32/87/57/572328757.db2.gz HMUFPOUKCUCSPL-NEPJUHHUSA-N 0 0 196.290 2.156 10 30 AEEERN C=CCc1sccc1C=O 307009533 572329564 /nfs/dbraw/zinc/32/95/64/572329564.db2.gz IODPCPZXYWTYTM-UHFFFAOYSA-N 0 0 152.218 2.289 10 30 AEEERN N#CC[C@H](N)c1ccc2cnccc2c1 238627200 572329109 /nfs/dbraw/zinc/32/91/09/572329109.db2.gz OHFLINCNLMKZNL-LBPRGKRZSA-N 0 0 197.241 2.148 10 30 AEEERN C[C@H](C[C@@H](N)C#N)CC(C)(C)C 88245306 572329144 /nfs/dbraw/zinc/32/91/44/572329144.db2.gz YFLXTVGVHWYMHR-RKDXNWHRSA-N 0 0 168.284 2.300 10 30 AEEERN N#CCCCCCCCCC(N)=O 88245067 572329189 /nfs/dbraw/zinc/32/91/89/572329189.db2.gz MDFNCQNPWVQZAY-UHFFFAOYSA-N 0 0 182.267 2.116 10 30 AEEERN C[C@@H](C[C@H](N)C#N)CC(C)(C)C 88245301 572329210 /nfs/dbraw/zinc/32/92/10/572329210.db2.gz YFLXTVGVHWYMHR-IUCAKERBSA-N 0 0 168.284 2.300 10 30 AEEERN CC[C@@H](C)NN=C(C)C(F)(F)F 307979513 572329243 /nfs/dbraw/zinc/32/92/43/572329243.db2.gz NWPCSGZAAGNYMY-RXMQYKEDSA-N 0 0 182.189 2.313 10 30 AEEERN C=CC[C@H]1CC[C@@H]2CC[C@H](O)[C@H]12 307030415 572329294 /nfs/dbraw/zinc/32/92/94/572329294.db2.gz JTAUVWQKSRUBDW-ZRUFSTJUSA-N 0 0 166.264 2.360 10 30 AEEERN C=C[C@H](O)[C@H](C)CCCC 59878809 572329360 /nfs/dbraw/zinc/32/93/60/572329360.db2.gz BDUHKHWKUNVVRP-BDAKNGLRSA-N 0 0 142.242 2.360 10 30 AEEERN C=C[C@@H](C)ONC(=O)OC(C)(C)C 307098778 572329373 /nfs/dbraw/zinc/32/93/73/572329373.db2.gz WLRFYIMORXZWOV-SSDOTTSWSA-N 0 0 187.239 2.017 10 30 AEEERN C=CC[C@H](O)[C@@]1(C)CCCCC1=O 307095320 572329650 /nfs/dbraw/zinc/32/96/50/572329650.db2.gz OTNXHPQAQXDKGU-GXSJLCMTSA-N 0 0 182.263 2.073 10 30 AEEERN C=CCC(=O)c1ccc(C)cn1 307013941 572329764 /nfs/dbraw/zinc/32/97/64/572329764.db2.gz OMOVHRKQJXZYRM-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=CC[C@](C)(C#N)CC(=O)CC 238202883 572330068 /nfs/dbraw/zinc/33/00/68/572330068.db2.gz WGLGWTQRFZOXCE-JTQLQIEISA-N 0 0 165.236 2.462 10 30 AEEERN CCCCCCCC(=O)[C@H]1CO1 238203133 572330427 /nfs/dbraw/zinc/33/04/27/572330427.db2.gz LWJDAHKLHBDPCE-SNVBAGLBSA-N 0 0 170.252 2.315 10 30 AEEERN N#CC[C@H](N)c1cccc2ccncc12 238622363 572330149 /nfs/dbraw/zinc/33/01/49/572330149.db2.gz ALQHAKPJTXOLFF-LBPRGKRZSA-N 0 0 197.241 2.148 10 30 AEEERN CCCCN[C@@H](C#N)CCCC 238204872 572330164 /nfs/dbraw/zinc/33/01/64/572330164.db2.gz GBYVUSBMTLLCKQ-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN CCCCCCC/C(=C/CO)CO 238203669 572330176 /nfs/dbraw/zinc/33/01/76/572330176.db2.gz SMDADUMLRAFFCO-FLIBITNWSA-N 0 0 186.295 2.258 10 30 AEEERN COCCCC1=CC(=O)CCC1 83534772 572330192 /nfs/dbraw/zinc/33/01/92/572330192.db2.gz REQHZXNJJXDHBV-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN C=CC[P@@](=O)(CC=O)OC(C)C 238204866 572330232 /nfs/dbraw/zinc/33/02/32/572330232.db2.gz DYXWUITWIIGHII-LBPRGKRZSA-N 0 0 190.179 2.074 10 30 AEEERN C=C[C@@H](C)[C@H]1CCC(=O)[C@H]1C 307083266 572330269 /nfs/dbraw/zinc/33/02/69/572330269.db2.gz HZPTUZOVSXOQLC-HRDYMLBCSA-N 0 0 152.237 2.424 10 30 AEEERN CCCCCCCCC#C[C@@H](O)CO 238204549 572330279 /nfs/dbraw/zinc/33/02/79/572330279.db2.gz WZTBZCYJCBFSTD-GFCCVEGCSA-N 0 0 198.306 2.094 10 30 AEEERN CCCCC(CCCCO)=NO 307979448 572330504 /nfs/dbraw/zinc/33/05/04/572330504.db2.gz MPXYAODBKUZSQG-UHFFFAOYSA-N 0 0 173.256 2.169 10 30 AEEERN C=C(CO)C(=O)CCCCCCC 238201221 572330584 /nfs/dbraw/zinc/33/05/84/572330584.db2.gz RASWLFKVNCVFIO-UHFFFAOYSA-N 0 0 184.279 2.465 10 30 AEEERN CCCCCCCC(=O)[C@@H]1CO1 238203015 572330800 /nfs/dbraw/zinc/33/08/00/572330800.db2.gz LWJDAHKLHBDPCE-JTQLQIEISA-N 0 0 170.252 2.315 10 30 AEEERN CC[C@H](C)NN=C(C)C(F)(F)F 307979514 572330853 /nfs/dbraw/zinc/33/08/53/572330853.db2.gz NWPCSGZAAGNYMY-YFKPBYRVSA-N 0 0 182.189 2.313 10 30 AEEERN C=CC[C@]12CCC(=O)C[C@@H]1CC[C@H]2O 307054044 572330908 /nfs/dbraw/zinc/33/09/08/572330908.db2.gz LAWJOGNTNMCYCP-WCQGTBRESA-N 0 0 194.274 2.073 10 30 AEEERN C#CCON=c1cc[nH]c(C)c1Cl 307000885 572330937 /nfs/dbraw/zinc/33/09/37/572330937.db2.gz DMAKUZMKCGQOGO-UHFFFAOYSA-N 0 0 196.637 2.020 10 30 AEEERN C=C=C(CCCCCCC)[C@H](O)CO 238201113 572330944 /nfs/dbraw/zinc/33/09/44/572330944.db2.gz PMPUJKTYESIGGO-GFCCVEGCSA-N 0 0 198.306 2.411 10 30 AEEERN CC(C)C(O)=C(C=O)c1ccccc1 238202487 572331077 /nfs/dbraw/zinc/33/10/77/572331077.db2.gz SCXGLVCHFYNKIJ-LLVKDONJSA-N 0 0 190.242 2.194 10 30 AEEERN CC(C)C(=O)c1ccccc1CC=O 238204652 572331123 /nfs/dbraw/zinc/33/11/23/572331123.db2.gz UIBZXUMHIIZMKW-UHFFFAOYSA-N 0 0 190.242 2.267 10 30 AEEERN C#C[C@@H](Nc1ccc(F)cn1)C(C)C 300903519 572331155 /nfs/dbraw/zinc/33/11/55/572331155.db2.gz WQZSHEFFMVXOGZ-SNVBAGLBSA-N 0 0 192.237 2.290 10 30 AEEERN C=C1C[C@H]2CC(=O)[C@@H](C)[C@H]2C1 307087862 572331175 /nfs/dbraw/zinc/33/11/75/572331175.db2.gz LVSYSZSHKKCALS-XHNCKOQMSA-N 0 0 150.221 2.178 10 30 AEEERN C#C[C@](C)(O)[C@@H]1CC2CCC1CC2 307040848 572331194 /nfs/dbraw/zinc/33/11/94/572331194.db2.gz RDDHMGRYHZLNBF-HCWSGVFWSA-N 0 0 178.275 2.197 10 30 AEEERN CCOCCCC[C@@H](C)C=O 83553392 572331521 /nfs/dbraw/zinc/33/15/21/572331521.db2.gz MGCIOBGLQZJKDO-SECBINFHSA-N 0 0 158.241 2.028 10 30 AEEERN N#CC[C@H](N)c1ccc2ccncc2c1 238627131 572331608 /nfs/dbraw/zinc/33/16/08/572331608.db2.gz ZUOKBFFBDBQWIF-LBPRGKRZSA-N 0 0 197.241 2.148 10 30 AEEERN CC(C)C(=O)/C=C/c1ccc(CO)o1 238203714 572331644 /nfs/dbraw/zinc/33/16/44/572331644.db2.gz PRFVFLDAFCFMCD-AATRIKPKSA-N 0 0 194.230 2.010 10 30 AEEERN C=C1C[C@]2(C)CC[C@H]1C(=O)C2 222077873 572331731 /nfs/dbraw/zinc/33/17/31/572331731.db2.gz NHDABCBYDSOETE-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCNC(=O)c1cccc(F)c1C 307072032 572331772 /nfs/dbraw/zinc/33/17/72/572331772.db2.gz YDDKIELDFFVSPI-UHFFFAOYSA-N 0 0 193.221 2.050 10 30 AEEERN CCCCCCCC(=O)NC(C)=O 238202179 572331796 /nfs/dbraw/zinc/33/17/96/572331796.db2.gz KCMSXHRBXWWAGA-UHFFFAOYSA-N 0 0 185.267 2.010 10 30 AEEERN C=CCCC[C@H]1CCOC1 222064848 572333136 /nfs/dbraw/zinc/33/31/36/572333136.db2.gz BXCGDOVFQDEZPX-VIFPVBQESA-N 0 0 140.226 2.379 10 30 AEEERN CCOCCCC1=CC(=O)CC1 83553401 572332005 /nfs/dbraw/zinc/33/20/05/572332005.db2.gz AWPWOUYYSZIVTC-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN CCOCCCC[C@H](C)C=O 83553393 572333157 /nfs/dbraw/zinc/33/31/57/572333157.db2.gz MGCIOBGLQZJKDO-VIFPVBQESA-N 0 0 158.241 2.028 10 30 AEEERN O=CC[C@H](c1cccnc1)C1CC1 107164376 572332103 /nfs/dbraw/zinc/33/21/03/572332103.db2.gz NJZKSWCSINHMBS-NSHDSACASA-N 0 0 175.231 2.164 10 30 AEEERN CCOCCCC1=CC(=O)CCC1 83553399 572332120 /nfs/dbraw/zinc/33/21/20/572332120.db2.gz YODZUFQGUXBNLT-UHFFFAOYSA-N 0 0 182.263 2.483 10 30 AEEERN C=C[C@@H](CC(=O)CC)C(=O)CC 238202058 572332319 /nfs/dbraw/zinc/33/23/19/572332319.db2.gz UWNMDWABONMYQO-QMMMGPOBSA-N 0 0 168.236 2.137 10 30 AEEERN C=C(C)C(=O)C[C@@H](C)OC(C)C 238202730 572332373 /nfs/dbraw/zinc/33/23/73/572332373.db2.gz DOCHFRQRCRGVMH-SECBINFHSA-N 0 0 170.252 2.335 10 30 AEEERN C=C(Cl)CNc1noc(C2CC2)n1 307078862 572332431 /nfs/dbraw/zinc/33/24/31/572332431.db2.gz QPYCAQMITVAPQS-UHFFFAOYSA-N 0 0 199.641 2.111 10 30 AEEERN N#CCCCC(=O)C1CCCC1 238632199 572332482 /nfs/dbraw/zinc/33/24/82/572332482.db2.gz YZFXCEISXUWTKB-UHFFFAOYSA-N 0 0 165.236 2.440 10 30 AEEERN CCCCNN=C[C@H]1CCSC1 307979250 572332598 /nfs/dbraw/zinc/33/25/98/572332598.db2.gz NSRGTCUMDSLQJO-SECBINFHSA-N 0 0 186.324 2.115 10 30 AEEERN Nc1cccc2c(/N=C/C=O)cccc12 238634137 572332631 /nfs/dbraw/zinc/33/26/31/572332631.db2.gz RYRAPUCPGKVNQB-VGOFMYFVSA-N 0 0 198.225 2.323 10 30 AEEERN O=C(/C=C/c1ccc[nH]1)c1ccncc1 238633618 572332697 /nfs/dbraw/zinc/33/26/97/572332697.db2.gz IYHIVMHJEMGBFJ-ONEGZZNKSA-N 0 0 198.225 2.306 10 30 AEEERN C=CCc1ccccc1/C=C/CO 238634645 572332943 /nfs/dbraw/zinc/33/29/43/572332943.db2.gz RGQOGGARFQELII-WEVVVXLNSA-N 0 0 174.243 2.421 10 30 AEEERN C=CCC[C@]1(O)C[C@@H](C)[C@H]1C 307011258 572332708 /nfs/dbraw/zinc/33/27/08/572332708.db2.gz OQFIWMSWSMKNFE-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1C(C)=C(C)[C@]1(C)OCCCCO 238203570 572332986 /nfs/dbraw/zinc/33/29/86/572332986.db2.gz DNMDWDDJFUZNGG-GFCCVEGCSA-N 0 0 196.290 2.440 10 30 AEEERN C=C=C(CCCCCCC)[C@@H](O)CO 238201047 572332995 /nfs/dbraw/zinc/33/29/95/572332995.db2.gz PMPUJKTYESIGGO-LBPRGKRZSA-N 0 0 198.306 2.411 10 30 AEEERN C=CC[C@@H]1CCCC[C@]1(O)/C=C/CO 238633846 572333020 /nfs/dbraw/zinc/33/30/20/572333020.db2.gz HLTQAESEJJJDJV-UEUGTDCTSA-N 0 0 196.290 2.032 10 30 AEEERN C=CCCC/C=C/COC/C=C/CO 238632050 572333057 /nfs/dbraw/zinc/33/30/57/572333057.db2.gz ACVYORABYQDRQY-CDJQDVQCSA-N 0 0 196.290 2.464 10 30 AEEERN N#Cc1cc(C2(C#N)CCC2)ccc1N 238635112 572333061 /nfs/dbraw/zinc/33/30/61/572333061.db2.gz REBZEFXGWIINLM-UHFFFAOYSA-N 0 0 197.241 2.086 10 30 AEEERN CCCCCCCCC#C[C@H](O)CO 238204602 572333283 /nfs/dbraw/zinc/33/32/83/572333283.db2.gz WZTBZCYJCBFSTD-LBPRGKRZSA-N 0 0 198.306 2.094 10 30 AEEERN N#C[C@@H]1C2=CC=CC=C[C@@H]2C[C@@H]1CC=O 238623322 572333415 /nfs/dbraw/zinc/33/34/15/572333415.db2.gz IOARMSBMBOKFAF-MDZLAQPJSA-N 0 0 199.253 2.404 10 30 AEEERN Nc1ccc(/N=C/c2cccnc2)cc1 238631501 572333675 /nfs/dbraw/zinc/33/36/75/572333675.db2.gz VCSYSOYBQWUJGG-OQLLNIDSSA-N 0 0 197.241 2.414 10 30 AEEERN CC#CCCC(=O)C1CC(F)(F)C1 307033614 572333729 /nfs/dbraw/zinc/33/37/29/572333729.db2.gz MCDWCTNHXDLMEJ-UHFFFAOYSA-N 0 0 186.201 2.404 10 30 AEEERN C=CC[P@](=O)(CC=O)OC(C)C 238205349 572333741 /nfs/dbraw/zinc/33/37/41/572333741.db2.gz DYXWUITWIIGHII-GFCCVEGCSA-N 0 0 190.179 2.074 10 30 AEEERN C=CC[C@@H]1CCCC[C@@]1(O)/C=C/CO 238634333 572333743 /nfs/dbraw/zinc/33/37/43/572333743.db2.gz HLTQAESEJJJDJV-YRCSQKNFSA-N 0 0 196.290 2.032 10 30 AEEERN O=C1C=C(CCC/C=C/CO)CCC1 238631066 572333840 /nfs/dbraw/zinc/33/38/40/572333840.db2.gz IPXQNDIYDTVLME-DUXPYHPUSA-N 0 0 194.274 2.385 10 30 AEEERN O=C(/C=C/c1ccccn1)c1ccc[nH]1 238633681 572333894 /nfs/dbraw/zinc/33/38/94/572333894.db2.gz IPLIZESOZLQRQV-VOTSOKGWSA-N 0 0 198.225 2.306 10 30 AEEERN CC(C)(C)[Si](C)(C)[C@H]1O[C@H]1C=O 196743398 572333945 /nfs/dbraw/zinc/33/39/45/572333945.db2.gz WTZQTPSRSSJVHB-JGVFFNPUSA-N 0 0 186.327 2.000 10 30 AEEERN C=CCSc1ccc(C(N)=O)cc1 238624324 572334015 /nfs/dbraw/zinc/33/40/15/572334015.db2.gz DIWDZZXPFJAKDF-UHFFFAOYSA-N 0 0 193.271 2.064 10 30 AEEERN CC(C)(C)[Si](C)(C)[C@@H]1O[C@@H]1C=O 196743444 572334020 /nfs/dbraw/zinc/33/40/20/572334020.db2.gz WTZQTPSRSSJVHB-SFYZADRCSA-N 0 0 186.327 2.000 10 30 AEEERN C#CCCCCCCC(=O)C#C 238632614 572334144 /nfs/dbraw/zinc/33/41/44/572334144.db2.gz YWHOAXYVABPAMY-UHFFFAOYSA-N 0 0 162.232 2.163 10 30 AEEERN N#CC(=O)Nc1ccc2ccccc2c1 238623464 572334186 /nfs/dbraw/zinc/33/41/86/572334186.db2.gz USTRMADBBPGLJU-UHFFFAOYSA-N 0 0 196.209 2.302 10 30 AEEERN CC(C)(C)[Si](C)(C)[C@H]1O[C@@H]1C=O 196743428 572334195 /nfs/dbraw/zinc/33/41/95/572334195.db2.gz WTZQTPSRSSJVHB-HTQZYQBOSA-N 0 0 186.327 2.000 10 30 AEEERN C#CCCC/C=C/C=C/C=C/CO 238629975 572334373 /nfs/dbraw/zinc/33/43/73/572334373.db2.gz HTTZTCLARNGQQW-OBWVEWQSSA-N 0 0 176.259 2.451 10 30 AEEERN C/C=C/[C@@H](C)CCC=O 60071501 572334437 /nfs/dbraw/zinc/33/44/37/572334437.db2.gz RDYHYPKJTJQPRW-RYEJSQLPSA-N 0 0 126.199 2.178 10 30 AEEERN N#CCCCC(=O)c1ccoc1 238632341 572334438 /nfs/dbraw/zinc/33/44/38/572334438.db2.gz NKGZFZISJMWQII-UHFFFAOYSA-N 0 0 163.176 2.156 10 30 AEEERN C=C[C@@]1(C)CC[C@H]([C@@H](C)[C@@H](C)O)O1 307155253 572334462 /nfs/dbraw/zinc/33/44/62/572334462.db2.gz DTMNLTMKMOJMPJ-ZDCRXTMVSA-N 0 0 184.279 2.127 10 30 AEEERN CC(C)C(C(=O)CC#N)C(C)C 238205726 572334466 /nfs/dbraw/zinc/33/44/66/572334466.db2.gz XEJTXOUCJJJYQE-UHFFFAOYSA-N 0 0 167.252 2.397 10 30 AEEERN C=CCC(CC)(CC)NC(=O)OC 238205843 572334530 /nfs/dbraw/zinc/33/45/30/572334530.db2.gz VUKPWBKCAKFDPV-UHFFFAOYSA-N 0 0 185.267 2.477 10 30 AEEERN C=CC[C@@](C#N)(C(C)=O)C(C)C 238205305 572334701 /nfs/dbraw/zinc/33/47/01/572334701.db2.gz PYESLPUNYYPOFY-JTQLQIEISA-N 0 0 165.236 2.317 10 30 AEEERN C=C1C[C@H](CC(C)=O)[C@H]2C(=C)[C@@H]12 196755201 572334717 /nfs/dbraw/zinc/33/47/17/572334717.db2.gz VIYBLNZDDQRLFK-GMTAPVOTSA-N 0 0 162.232 2.344 10 30 AEEERN C=C=CC(=O)c1cccc(OC)c1 196743016 572334760 /nfs/dbraw/zinc/33/47/60/572334760.db2.gz NZPSNCSJHBPPSH-UHFFFAOYSA-N 0 0 174.199 2.219 10 30 AEEERN C=CCCCc1nc(C2CC2)no1 349602373 572334803 /nfs/dbraw/zinc/33/48/03/572334803.db2.gz AEKZXAXCDXWWHV-UHFFFAOYSA-N 0 0 178.235 2.456 10 30 AEEERN Nc1ccc(C#Cc2cccnc2)cc1 238632366 572334824 /nfs/dbraw/zinc/33/48/24/572334824.db2.gz MPHAKDQQJXGSCA-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN CC(C)(C)[Si](C)(C)[C@@H]1O[C@H]1C=O 196743412 572334889 /nfs/dbraw/zinc/33/48/89/572334889.db2.gz WTZQTPSRSSJVHB-YUMQZZPRSA-N 0 0 186.327 2.000 10 30 AEEERN C=C(C[C@@H](O)C(C)=O)c1ccccc1 238206567 572335383 /nfs/dbraw/zinc/33/53/83/572335383.db2.gz RRQJSXGMAQCDNC-GFCCVEGCSA-N 0 0 190.242 2.040 10 30 AEEERN CC1=C(CCCCO)CCCC1=O 238208644 572335446 /nfs/dbraw/zinc/33/54/46/572335446.db2.gz WXWGFQTWAACQKI-UHFFFAOYSA-N 0 0 182.263 2.219 10 30 AEEERN CCCCC[C@@H](C=O)[C@@H](C)C=O 238207166 572335465 /nfs/dbraw/zinc/33/54/65/572335465.db2.gz BYTLDZXGSBUEHF-UWVGGRQHSA-N 0 0 170.252 2.217 10 30 AEEERN CC(C)[C@@H](C=O)N(O)c1ccccc1 238206939 572335518 /nfs/dbraw/zinc/33/55/18/572335518.db2.gz DYVHMNHUCSYHFT-LLVKDONJSA-N 0 0 193.246 2.106 10 30 AEEERN CC(C)[C@H](C=O)CC[C@H](C)C=O 238212751 572335564 /nfs/dbraw/zinc/33/55/64/572335564.db2.gz ICWAZRIOOMUOIP-UWVGGRQHSA-N 0 0 170.252 2.073 10 30 AEEERN CCCCC[C@@H](CC=O)OCOC 238208571 572335647 /nfs/dbraw/zinc/33/56/47/572335647.db2.gz GHXILEDWGQNJEV-JTQLQIEISA-N 0 0 188.267 2.145 10 30 AEEERN CCCCC[C@@H](C)[C@H](C=O)CO 238206316 572335759 /nfs/dbraw/zinc/33/57/59/572335759.db2.gz HJASIKNOTIMBER-NXEZZACHSA-N 0 0 172.268 2.010 10 30 AEEERN C=CCC1=C(C)[C@@H](O)[C@H](CC=C)C1=O 238207065 572335786 /nfs/dbraw/zinc/33/57/86/572335786.db2.gz WFXARAHECPVCGP-WDEREUQCSA-N 0 0 192.258 2.015 10 30 AEEERN C=C[C@H](C(C)C)[C@]1(CO)CCCC1=O 238206740 572335790 /nfs/dbraw/zinc/33/57/90/572335790.db2.gz LXIYINHLYDIWEJ-ZYHUDNBSSA-N 0 0 196.290 2.176 10 30 AEEERN C=CCC(CC=C)(C(N)=O)C(C)C 238208151 572335794 /nfs/dbraw/zinc/33/57/94/572335794.db2.gz OGMVZNKUKYGVCU-UHFFFAOYSA-N 0 0 181.279 2.266 10 30 AEEERN N#Cc1ccc(Nc2ncccn2)cc1 116981568 572335816 /nfs/dbraw/zinc/33/58/16/572335816.db2.gz LEVKDNUAUGWBDW-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN C/C=C(/C)C#C/C=C(\C)[C@H](C)O 307981223 572335870 /nfs/dbraw/zinc/33/58/70/572335870.db2.gz OEULDRROCXZDNC-CLFASGKSSA-N 0 0 164.248 2.283 10 30 AEEERN CCCCC[C@@H](C=O)[C@H](C)C=O 238207262 572336776 /nfs/dbraw/zinc/33/67/76/572336776.db2.gz BYTLDZXGSBUEHF-ZJUUUORDSA-N 0 0 170.252 2.217 10 30 AEEERN C=C(C)[C@@H](O)[C@H](C)/C=C/Cl 222079936 572335887 /nfs/dbraw/zinc/33/58/87/572335887.db2.gz PKFAQHOMUSBXLM-IVZJMYDKSA-N 0 0 160.644 2.312 10 30 AEEERN C=C[C@@H](CC)OC(=O)C(C)(C)F 307981535 572335963 /nfs/dbraw/zinc/33/59/63/572335963.db2.gz OWZNDNSOOODYDX-ZETCQYMHSA-N 0 0 174.215 2.242 10 30 AEEERN Cc1cc([C@H](CC=O)C2CC2)no1 107167272 572336777 /nfs/dbraw/zinc/33/67/77/572336777.db2.gz OUCVSXWLXXEDMH-SECBINFHSA-N 0 0 179.219 2.066 10 30 AEEERN C=C(C(F)(F)F)[C@@]1(O)CC[C@@H]1C 307174302 572336022 /nfs/dbraw/zinc/33/60/22/572336022.db2.gz TURHAMQZXBWAML-CAHLUQPWSA-N 0 0 180.169 2.266 10 30 AEEERN O[C@H]1CC=CC#CCCCCC1 307981744 572336055 /nfs/dbraw/zinc/33/60/55/572336055.db2.gz OWDPTGOSTMPWIY-LLVKDONJSA-N 0 0 164.248 2.261 10 30 AEEERN O[C@@H]1CC=CC#CCCCCC1 307981745 572336108 /nfs/dbraw/zinc/33/61/08/572336108.db2.gz OWDPTGOSTMPWIY-NSHDSACASA-N 0 0 164.248 2.261 10 30 AEEERN CCC(O)(CC)CCCCC=O 238206104 572336126 /nfs/dbraw/zinc/33/61/26/572336126.db2.gz MDBPGRJJIYTPCK-UHFFFAOYSA-N 0 0 172.268 2.297 10 30 AEEERN CC(=O)C(C)(C)[C@H](CC=O)C(C)C 238209293 572336200 /nfs/dbraw/zinc/33/62/00/572336200.db2.gz QNQMENZRFGSTDE-SNVBAGLBSA-N 0 0 184.279 2.463 10 30 AEEERN C/C=C(\C)C#C/C=C(/C)[C@H](C)O 307981227 572336202 /nfs/dbraw/zinc/33/62/02/572336202.db2.gz OEULDRROCXZDNC-XNNXALLSSA-N 0 0 164.248 2.283 10 30 AEEERN C=CCC1=C(C)[C@H](O)[C@@H](CC=C)C1=O 238207111 572336234 /nfs/dbraw/zinc/33/62/34/572336234.db2.gz WFXARAHECPVCGP-MNOVXSKESA-N 0 0 192.258 2.015 10 30 AEEERN C=C(C)[C@@H](O)[C@@H](C)/C=C/Cl 222079829 572336267 /nfs/dbraw/zinc/33/62/67/572336267.db2.gz PKFAQHOMUSBXLM-ODAVYXMRSA-N 0 0 160.644 2.312 10 30 AEEERN CC1=C(CCCC=O)C(=O)CC1 238208394 572336272 /nfs/dbraw/zinc/33/62/72/572336272.db2.gz RYKPXXURSHJTGD-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN Cc1ccc(-c2nccnc2C#N)cc1 77295742 572336466 /nfs/dbraw/zinc/33/64/66/572336466.db2.gz ZIFSHECFIJRARS-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN ON=C1CCCOc2ccccc21 307981257 572336493 /nfs/dbraw/zinc/33/64/93/572336493.db2.gz CTPBPHFPLVIYQN-UHFFFAOYSA-N 0 0 177.203 2.038 10 30 AEEERN C/C(=C/Cl)CN(C)C[C@@H](C)C#N 307981759 572336533 /nfs/dbraw/zinc/33/65/33/572336533.db2.gz PACCIJJULRUGNZ-OTOXVQDCSA-N 0 0 186.686 2.220 10 30 AEEERN Cc1cccc(-c2nccnc2C#N)c1 77295745 572336928 /nfs/dbraw/zinc/33/69/28/572336928.db2.gz CSHMXMJMLYDAEE-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C/C=C(\C)C#C/C=C(\C)[C@H](C)O 307981224 572336580 /nfs/dbraw/zinc/33/65/80/572336580.db2.gz OEULDRROCXZDNC-QQIFFSBDSA-N 0 0 164.248 2.283 10 30 AEEERN C=CCC1=C(C)[C@@H](O)[C@@H](CC=C)C1=O 238207095 572336929 /nfs/dbraw/zinc/33/69/29/572336929.db2.gz WFXARAHECPVCGP-GHMZBOCLSA-N 0 0 192.258 2.015 10 30 AEEERN CCCCC[C@@H](C=O)[NH+](CC)CC 238207044 572336647 /nfs/dbraw/zinc/33/66/47/572336647.db2.gz PDCJESZPZBXGQX-NSHDSACASA-N 0 0 185.311 2.476 10 30 AEEERN C=C(COC)[C@]1(O)CC(C)(C)C[C@H]1C 307171177 572336653 /nfs/dbraw/zinc/33/66/53/572336653.db2.gz BBZKMFVQHAQDIT-SKDRFNHKSA-N 0 0 198.306 2.376 10 30 AEEERN O=CCCc1ccc2c(c1)CCC2 60122591 572337003 /nfs/dbraw/zinc/33/70/03/572337003.db2.gz FKMXRCIJYGUJDD-UHFFFAOYSA-N 0 0 174.243 2.307 10 30 AEEERN O=CCCc1cccc2c1CCC2 60122604 572337119 /nfs/dbraw/zinc/33/71/19/572337119.db2.gz LBBDZJSKFNYSJU-UHFFFAOYSA-N 0 0 174.243 2.307 10 30 AEEERN CC(C)C(CCC=O)CCC=O 238208317 572337203 /nfs/dbraw/zinc/33/72/03/572337203.db2.gz LTOKSVHMELCYBZ-UHFFFAOYSA-N 0 0 170.252 2.217 10 30 AEEERN CCC(C=O)(CC)CCC(C)=O 238206171 572337397 /nfs/dbraw/zinc/33/73/97/572337397.db2.gz SGGWSLZDBFJBQQ-UHFFFAOYSA-N 0 0 170.252 2.361 10 30 AEEERN C=CC(=O)[C@H](O)CCCCCC 238209287 572337486 /nfs/dbraw/zinc/33/74/86/572337486.db2.gz HYWJJAQLPWNLRC-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN C=C(C)CCC(C=O)(C=O)C(C)C 238208223 572337493 /nfs/dbraw/zinc/33/74/93/572337493.db2.gz NQKHICSKQJLYQA-UHFFFAOYSA-N 0 0 182.263 2.383 10 30 AEEERN Cc1ccccc1-c1nccnc1C#N 77295744 572337504 /nfs/dbraw/zinc/33/75/04/572337504.db2.gz NLLSBFFCWNJHFO-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=CC[C@H](CCCCC)C(N)=O 238208392 572337443 /nfs/dbraw/zinc/33/74/43/572337443.db2.gz CUMRQVXWSOSHCV-SECBINFHSA-N 0 0 169.268 2.244 10 30 AEEERN CCCCCCCCCCC1NNN1 238206794 572337448 /nfs/dbraw/zinc/33/74/48/572337448.db2.gz QDADRLXEFMKBAL-UHFFFAOYSA-N 0 0 199.342 2.456 10 30 AEEERN CCCCC[C@H](C=O)CCC=O 238208961 572337784 /nfs/dbraw/zinc/33/77/84/572337784.db2.gz LJBUVGFIMWVTQQ-JTQLQIEISA-N 0 0 170.252 2.361 10 30 AEEERN CC(C)[S@](=O)c1ccc(C#N)cc1 514261134 572337678 /nfs/dbraw/zinc/33/76/78/572337678.db2.gz AIHAQCOCLFAQEA-ZDUSSCGKSA-N 0 0 193.271 2.074 10 30 AEEERN CCCCC[C@@H](C)[C@@H](C=O)CO 238206472 572337815 /nfs/dbraw/zinc/33/78/15/572337815.db2.gz HJASIKNOTIMBER-ZJUUUORDSA-N 0 0 172.268 2.010 10 30 AEEERN C=CCCCC1=C(C)C(=O)CC1=O 238208304 572337833 /nfs/dbraw/zinc/33/78/33/572337833.db2.gz WVHSCDTZVOJATD-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN C/C(=C/Cl)CN(C)C[C@H](C)C#N 307981760 572337925 /nfs/dbraw/zinc/33/79/25/572337925.db2.gz PACCIJJULRUGNZ-USYJTPIQSA-N 0 0 186.686 2.220 10 30 AEEERN C=C[C@@H](O)C1=CC=CC=CC=C1 307981782 572337945 /nfs/dbraw/zinc/33/79/45/572337945.db2.gz PEDSZFWUEIGRFT-LLVKDONJSA-N 0 0 160.216 2.142 10 30 AEEERN C=C[C@H](C(C)C)[C@@]1(CO)CCCC1=O 238206627 572338028 /nfs/dbraw/zinc/33/80/28/572338028.db2.gz LXIYINHLYDIWEJ-PWSUYJOCSA-N 0 0 196.290 2.176 10 30 AEEERN CC1=C(CCCCC=O)C(=O)CC1 238208478 572338076 /nfs/dbraw/zinc/33/80/76/572338076.db2.gz GUDBJFDDOAMODT-UHFFFAOYSA-N 0 0 180.247 2.425 10 30 AEEERN C=CCC1=C(C)[C@H](O)[C@H](CC=C)C1=O 238207081 572338136 /nfs/dbraw/zinc/33/81/36/572338136.db2.gz WFXARAHECPVCGP-QWRGUYRKSA-N 0 0 192.258 2.015 10 30 AEEERN C=C[C@H](O)C1=CC=CC=CC=C1 307981783 572338169 /nfs/dbraw/zinc/33/81/69/572338169.db2.gz PEDSZFWUEIGRFT-NSHDSACASA-N 0 0 160.216 2.142 10 30 AEEERN C=C[C@H](C(C)C)n1ccnc1C=O 238206809 572338274 /nfs/dbraw/zinc/33/82/74/572338274.db2.gz XHDLVMGWQOMJRT-SECBINFHSA-N 0 0 178.235 2.079 10 30 AEEERN C=C[C@H](CC)OC(=O)C(C)(C)F 307981532 572338430 /nfs/dbraw/zinc/33/84/30/572338430.db2.gz OWZNDNSOOODYDX-SSDOTTSWSA-N 0 0 174.215 2.242 10 30 AEEERN N#Cc1ccccc1-c1cccc(N)n1 238636308 572338371 /nfs/dbraw/zinc/33/83/71/572338371.db2.gz RXUPOVLWDXLGIZ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CCc1ccccc1[C@H](C#N)N(C)C 52204899 572338412 /nfs/dbraw/zinc/33/84/12/572338412.db2.gz VHIZVTFCWOVTFL-LBPRGKRZSA-N 0 0 188.274 2.375 10 30 AEEERN C=C(C)CCn1ccc(=O)[nH]c1=S 307160589 572338496 /nfs/dbraw/zinc/33/84/96/572338496.db2.gz WOGKCIFVDZSDLQ-UHFFFAOYSA-N 0 0 196.275 2.284 10 30 AEEERN CC#CC[C@@H](O)c1cnc(C)cc1C 307175576 572338605 /nfs/dbraw/zinc/33/86/05/572338605.db2.gz WHYVIBHJGMBVHS-GFCCVEGCSA-N 0 0 189.258 2.145 10 30 AEEERN CCCC(CC[C@@H](O)CC)=NO 307981384 572338690 /nfs/dbraw/zinc/33/86/90/572338690.db2.gz OPAADJCUUQUAMI-VIFPVBQESA-N 0 0 173.256 2.168 10 30 AEEERN C=CCOCC(C=O)(CC)CC 238213204 572338832 /nfs/dbraw/zinc/33/88/32/572338832.db2.gz VIAWPWLBWIGDQB-UHFFFAOYSA-N 0 0 170.252 2.194 10 30 AEEERN C=CCOCC(CC)(CC)[C@H](C)O 238213276 572339011 /nfs/dbraw/zinc/33/90/11/572339011.db2.gz SVWOPQNRQVJPMX-JTQLQIEISA-N 0 0 186.295 2.376 10 30 AEEERN C=CCOCC(CC)(CC)[C@@H](C)O 238213228 572339147 /nfs/dbraw/zinc/33/91/47/572339147.db2.gz SVWOPQNRQVJPMX-SNVBAGLBSA-N 0 0 186.295 2.376 10 30 AEEERN CCN[C@@H](C#N)c1c[nH]c2ccccc12 77296646 572339210 /nfs/dbraw/zinc/33/92/10/572339210.db2.gz RNBVJBHAEJUACC-LBPRGKRZSA-N 0 0 199.257 2.342 10 30 AEEERN CCc1ccccc1[C@@H](C#N)N(C)C 52204897 572339256 /nfs/dbraw/zinc/33/92/56/572339256.db2.gz VHIZVTFCWOVTFL-GFCCVEGCSA-N 0 0 188.274 2.375 10 30 AEEERN CC[C@@H](C)ON=Cc1ccco1 307983139 572339273 /nfs/dbraw/zinc/33/92/73/572339273.db2.gz PYNVQKYZHMFYOO-MRVPVSSYSA-N 0 0 167.208 2.429 10 30 AEEERN CCCCN=Nc1cccnc1 307982740 572339292 /nfs/dbraw/zinc/33/92/92/572339292.db2.gz PSYQBPWKJKGXKC-UHFFFAOYSA-N 0 0 163.224 2.279 10 30 AEEERN C=C(CCO)C[C@H](O)C1CCCCC1 238636627 572339315 /nfs/dbraw/zinc/33/93/15/572339315.db2.gz RQGPSHKBRPHIOE-LBPRGKRZSA-N 0 0 198.306 2.256 10 30 AEEERN N#Cc1nccnc1-c1cccc(F)c1 77296513 572339371 /nfs/dbraw/zinc/33/93/71/572339371.db2.gz VFJZNLUMKNXNNZ-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CC[C@H](C)ON=Cc1ccco1 307983141 572339515 /nfs/dbraw/zinc/33/95/15/572339515.db2.gz PYNVQKYZHMFYOO-QMMMGPOBSA-N 0 0 167.208 2.429 10 30 AEEERN CCCC[C@H](C#CSCC)CO 238212684 572339782 /nfs/dbraw/zinc/33/97/82/572339782.db2.gz ANWPKJSGICCJFY-SNVBAGLBSA-N 0 0 186.320 2.499 10 30 AEEERN C#C[C@H](C)[C@H](O)CCCCC 238215651 572339847 /nfs/dbraw/zinc/33/98/47/572339847.db2.gz PNPJZHJOKXXMKY-VHSXEESVSA-N 0 0 154.253 2.197 10 30 AEEERN CCN[C@H](C#N)c1c[nH]c2ccccc12 77296647 572339861 /nfs/dbraw/zinc/33/98/61/572339861.db2.gz RNBVJBHAEJUACC-GFCCVEGCSA-N 0 0 199.257 2.342 10 30 AEEERN C=CCOC[C@H](O)CC#CCCCC 238215685 572339885 /nfs/dbraw/zinc/33/98/85/572339885.db2.gz OGBUFBPJZOTMPS-GFCCVEGCSA-N 0 0 196.290 2.134 10 30 AEEERN CCCCCC/C=C(\CO)OC 307983459 572339913 /nfs/dbraw/zinc/33/99/13/572339913.db2.gz QWIDNWDUSLMHTK-CSKARUKUSA-N 0 0 172.268 2.479 10 30 AEEERN CCCCO/C=C/C#C[C@@H](O)CCC 238211724 572339999 /nfs/dbraw/zinc/33/99/99/572339999.db2.gz WDNFRXMIUHIGEC-VNKGSWCUSA-N 0 0 196.290 2.481 10 30 AEEERN CC(C)[C@H](C=O)CC[C@@H](C)C=O 238212505 572340107 /nfs/dbraw/zinc/34/01/07/572340107.db2.gz ICWAZRIOOMUOIP-ZJUUUORDSA-N 0 0 170.252 2.073 10 30 AEEERN C=C(CC)NC(=O)OCCCC 238216065 572340138 /nfs/dbraw/zinc/34/01/38/572340138.db2.gz ZHBGNXVCUVNCIS-UHFFFAOYSA-N 0 0 171.240 2.436 10 30 AEEERN CCCCC#CCCCCC(N)=O 238215052 572340212 /nfs/dbraw/zinc/34/02/12/572340212.db2.gz FLFWDVTWMRRNBO-UHFFFAOYSA-N 0 0 181.279 2.226 10 30 AEEERN CCCC[C@@H](C#CSCC)CO 238212669 572340228 /nfs/dbraw/zinc/34/02/28/572340228.db2.gz ANWPKJSGICCJFY-JTQLQIEISA-N 0 0 186.320 2.499 10 30 AEEERN C=C[C@](C)(O)C[C@H](O)CCCCC 238215417 572340240 /nfs/dbraw/zinc/34/02/40/572340240.db2.gz CYNHKSHDBCTRSV-MNOVXSKESA-N 0 0 186.295 2.255 10 30 AEEERN C=C[C@@H](O)/C(=C/Cl)CC 238212550 572340248 /nfs/dbraw/zinc/34/02/48/572340248.db2.gz OFHHUZHMXAHGDL-WEWAHIQMSA-N 0 0 146.617 2.066 10 30 AEEERN CCCCO/C=C/C#C[C@H](O)CCC 238211736 572340260 /nfs/dbraw/zinc/34/02/60/572340260.db2.gz WDNFRXMIUHIGEC-YTRUQHMWSA-N 0 0 196.290 2.481 10 30 AEEERN C#CC[C@@H](O)/C(=C\C)[Si](C)(C)C 307983060 572340285 /nfs/dbraw/zinc/34/02/85/572340285.db2.gz QFQZQSXNQWEWEV-YIXGCBLDSA-N 0 0 182.339 2.194 10 30 AEEERN CCCCC[C@@H](O)C[C@@]1(C)CO1 238215429 572340296 /nfs/dbraw/zinc/34/02/96/572340296.db2.gz UQJISOJDOSUCMV-ZJUUUORDSA-N 0 0 172.268 2.107 10 30 AEEERN C/C=C(\C)C#C[C@H](O)/C(C)=C/C 307982248 572340521 /nfs/dbraw/zinc/34/05/21/572340521.db2.gz PLECGDRFPIFIHO-IFOVJANQSA-N 0 0 164.248 2.283 10 30 AEEERN C=C(OCC)[C@H](O)/C=C/CCC 238215579 572340789 /nfs/dbraw/zinc/34/07/89/572340789.db2.gz APFAKRNSCOYLLJ-QROSGCPLSA-N 0 0 170.252 2.254 10 30 AEEERN C#CCc1cc(C(C)C)ccc1CO 196602168 572340881 /nfs/dbraw/zinc/34/08/81/572340881.db2.gz OTNOTTPNJJNOFX-UHFFFAOYSA-N 0 0 188.270 2.478 10 30 AEEERN C=C[C@H](O)/C(=C/Cl)CC 238212528 572341142 /nfs/dbraw/zinc/34/11/42/572341142.db2.gz OFHHUZHMXAHGDL-XPPMVYLVSA-N 0 0 146.617 2.066 10 30 AEEERN C=C[C@H](O)[C@H](O)/C(=C\CCC)CC 238212251 572341175 /nfs/dbraw/zinc/34/11/75/572341175.db2.gz JZTWSSDKJWNPOG-DOSOYNOZSA-N 0 0 184.279 2.031 10 30 AEEERN N#Cc1nccnc1-c1ccc(F)cc1 77296511 572341225 /nfs/dbraw/zinc/34/12/25/572341225.db2.gz HIHRFJPULGSXHM-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CC[C@@H](C)C1=CC(=O)C=C(C)C1=O 196602630 572341348 /nfs/dbraw/zinc/34/13/48/572341348.db2.gz OPNNQXXUIPEADG-SSDOTTSWSA-N 0 0 178.231 2.057 10 30 AEEERN N#Cc1nccnc1-c1ccccc1F 77296512 572341239 /nfs/dbraw/zinc/34/12/39/572341239.db2.gz WDPOUUBYMXOVON-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C=C[C@](C)(O)[C@H](O)/C(=C\CCC)CC 238212293 572341390 /nfs/dbraw/zinc/34/13/90/572341390.db2.gz QAKRBGOUYNRSHY-CYRCAWSMSA-N 0 0 198.306 2.421 10 30 AEEERN O=C1C=C(c2ccc3[nH]cnc3c2)CC1 77296333 572341451 /nfs/dbraw/zinc/34/14/51/572341451.db2.gz RIGZOZSBFNYRBO-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN C=CCOC[C@H](O)CCCCC 238215292 572341564 /nfs/dbraw/zinc/34/15/64/572341564.db2.gz MNIMFKLQDZCWGX-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN Nc1cccc(C#Cc2ccco2)c1 68978145 572341646 /nfs/dbraw/zinc/34/16/46/572341646.db2.gz IBQFBCRRCUWHDX-UHFFFAOYSA-N 0 0 183.210 2.262 10 30 AEEERN C/C=C(/C)[C@@H](O)C#C/C(C)=C/C 307982247 572341654 /nfs/dbraw/zinc/34/16/54/572341654.db2.gz PLECGDRFPIFIHO-FSMWEIOPSA-N 0 0 164.248 2.283 10 30 AEEERN C=C([C@H](CO)CCCC)C(C)(C)O 238212711 572341686 /nfs/dbraw/zinc/34/16/86/572341686.db2.gz DHFPCNGZQSHRGK-JTQLQIEISA-N 0 0 186.295 2.112 10 30 AEEERN CCCc1nc2ccccc2nc1C#N 77296252 572341698 /nfs/dbraw/zinc/34/16/98/572341698.db2.gz CESVAIGBNPBMRB-UHFFFAOYSA-N 0 0 197.241 2.454 10 30 AEEERN C=C[C@@H](OC)[C@H](O)CCCCC 238217047 572342797 /nfs/dbraw/zinc/34/27/97/572342797.db2.gz NRPKVEQSLUEJRJ-NXEZZACHSA-N 0 0 172.268 2.129 10 30 AEEERN C#CC[C@H](O)/C(=C\C)[Si](C)(C)C 307983058 572341716 /nfs/dbraw/zinc/34/17/16/572341716.db2.gz QFQZQSXNQWEWEV-HZAKCSEPSA-N 0 0 182.339 2.194 10 30 AEEERN CC[C@H](C)C1=CC(=O)C=C(C)C1=O 196602640 572341771 /nfs/dbraw/zinc/34/17/71/572341771.db2.gz OPNNQXXUIPEADG-ZETCQYMHSA-N 0 0 178.231 2.057 10 30 AEEERN CCCC1([C@H]2CO2)CCC1 23829070 572341810 /nfs/dbraw/zinc/34/18/10/572341810.db2.gz RZTIXHZPARHFED-MRVPVSSYSA-N 0 0 140.226 2.356 10 30 AEEERN C=C([C@@H](CO)CCCC)C(C)(C)O 238212708 572341817 /nfs/dbraw/zinc/34/18/17/572341817.db2.gz DHFPCNGZQSHRGK-SNVBAGLBSA-N 0 0 186.295 2.112 10 30 AEEERN C#CC(=O)CCC#CCCCC 238214974 572341824 /nfs/dbraw/zinc/34/18/24/572341824.db2.gz FBICKQWUUBXOMR-UHFFFAOYSA-N 0 0 162.232 2.163 10 30 AEEERN C=C1C[C@@H]2CCCC(=O)[C@H]2C1 196612232 572341876 /nfs/dbraw/zinc/34/18/76/572341876.db2.gz KHVHDVNYXSYBOU-IUCAKERBSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@](C)(O)[C@@H](O)/C(=C\CCC)CC 238212497 572341985 /nfs/dbraw/zinc/34/19/85/572341985.db2.gz QAKRBGOUYNRSHY-XJNROGLQSA-N 0 0 198.306 2.421 10 30 AEEERN C=CCC(F)(F)[C@H](N)C(F)(F)F 238638921 572342192 /nfs/dbraw/zinc/34/21/92/572342192.db2.gz JGMOPEWHWZQHBH-BYPYZUCNSA-N 0 0 189.127 2.087 10 30 AEEERN C=CCO/C(C)=C/[C@@H](O)CCC 307983517 572342214 /nfs/dbraw/zinc/34/22/14/572342214.db2.gz QZSVGSJFXVQJCE-DDXVTDLHSA-N 0 0 170.252 2.254 10 30 AEEERN Cc1cccc(-n2cccc2C#N)c1N 235909784 572342219 /nfs/dbraw/zinc/34/22/19/572342219.db2.gz XHPAMMWYEPPXGV-UHFFFAOYSA-N 0 0 197.241 2.240 10 30 AEEERN C[C@H](N[C@H](C)C#N)C1CCCCC1 52336651 572343037 /nfs/dbraw/zinc/34/30/37/572343037.db2.gz SQQUVSWZVOXDID-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN O=C[C@H]1CC=CCCCC1 238641620 572349650 /nfs/dbraw/zinc/34/96/50/572349650.db2.gz ARFZSYPCYIXOSE-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@H](C)ON=Cc1cscn1 307980223 572342694 /nfs/dbraw/zinc/34/26/94/572342694.db2.gz OIUZRZJGSXIAHQ-SSDOTTSWSA-N 0 0 184.264 2.292 10 30 AEEERN C=C1C[C@@]2(C)CC(C)(C)[C@@H]1[C@@H]2O 307174965 572342840 /nfs/dbraw/zinc/34/28/40/572342840.db2.gz FLTDUGSUKJZELK-QXEWZRGKSA-N 0 0 166.264 2.360 10 30 AEEERN CCCCC#CC#CCCCCO 238213814 572342907 /nfs/dbraw/zinc/34/29/07/572342907.db2.gz JPDXRJZFOLLUJQ-UHFFFAOYSA-N 0 0 178.275 2.346 10 30 AEEERN C=CC[C@]1(C)CC(C)=CC1=O 196610687 572342960 /nfs/dbraw/zinc/34/29/60/572342960.db2.gz MFIHEPFZYVRIND-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(F)[C@H](O)CCCCC 196611208 572342966 /nfs/dbraw/zinc/34/29/66/572342966.db2.gz MQTDEWDTQRQZBS-MRVPVSSYSA-N 0 0 146.205 2.411 10 30 AEEERN C=CC[C@@]1(C)CC=CC1=O 196610659 572343112 /nfs/dbraw/zinc/34/31/12/572343112.db2.gz COYDFWDVKNRHJI-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN C=C(C)[C@](C)(O)[C@@H](O)/C(C)=C\CC 238216598 572343138 /nfs/dbraw/zinc/34/31/38/572343138.db2.gz SGBUQIIMRPNPQP-RHJQIECPSA-N 0 0 184.279 2.031 10 30 AEEERN COC[C@](C)(C=O)C=C(Cl)Cl 196604499 572343222 /nfs/dbraw/zinc/34/32/22/572343222.db2.gz MSARJXRVIKCDQY-ZETCQYMHSA-N 0 0 197.061 2.157 10 30 AEEERN C#C[C@@H](Nc1ccc(C)cn1)C(C)C 300984454 572343253 /nfs/dbraw/zinc/34/32/53/572343253.db2.gz USFIEGLATAKPFD-LLVKDONJSA-N 0 0 188.274 2.460 10 30 AEEERN C=C(C)CN(OC)C1CCCC1 307979538 572343471 /nfs/dbraw/zinc/34/34/71/572343471.db2.gz NXNRFVHDIKXHOW-UHFFFAOYSA-N 0 0 169.268 2.369 10 30 AEEERN N#C[C@H](C=O)c1ccc2c(c1)CCCC2 238638782 572343478 /nfs/dbraw/zinc/34/34/78/572343478.db2.gz XYHAUWCQDWKCIV-CYBMUJFWSA-N 0 0 199.253 2.371 10 30 AEEERN CCCCC[C@@H](O)[C@H](C)CC#N 238216602 572343490 /nfs/dbraw/zinc/34/34/90/572343490.db2.gz XBSVVSSRQXNJJO-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN O=CCCCCC1(O)CCCC1 238637232 572343548 /nfs/dbraw/zinc/34/35/48/572343548.db2.gz KARFGAYZPHRMFS-UHFFFAOYSA-N 0 0 170.252 2.051 10 30 AEEERN C=C=CC(=O)c1nccc2ccccc12 68958861 572343585 /nfs/dbraw/zinc/34/35/85/572343585.db2.gz LRLAIAIRHVOJGI-UHFFFAOYSA-N 0 0 195.221 2.441 10 30 AEEERN CCCCC#C[C@@](C)(CCO)OCC 238217152 572343610 /nfs/dbraw/zinc/34/36/10/572343610.db2.gz BTTJVCFMKCRTHP-LBPRGKRZSA-N 0 0 198.306 2.358 10 30 AEEERN C=C[C@H](OC)[C@H](O)CCCCC 238216141 572343624 /nfs/dbraw/zinc/34/36/24/572343624.db2.gz NRPKVEQSLUEJRJ-ZJUUUORDSA-N 0 0 172.268 2.129 10 30 AEEERN CCCCCC[C@@](C)(O)C#C[C@@H](C)O 238215937 572343665 /nfs/dbraw/zinc/34/36/65/572343665.db2.gz PGFFHVWQYQJYGP-VXGBXAGGSA-N 0 0 198.306 2.092 10 30 AEEERN CCCCC[C@@H](O)C#C[C@](C)(O)CC 238214263 572343694 /nfs/dbraw/zinc/34/36/94/572343694.db2.gz LROXOXOPTIJDCN-VXGBXAGGSA-N 0 0 198.306 2.092 10 30 AEEERN CCCCCC[C@@H]1CC(=CO)C(=O)O1 238213865 572343753 /nfs/dbraw/zinc/34/37/53/572343753.db2.gz ONBJZHHBCOJZKZ-NXEZZACHSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC(CCO)(C1CC1)C1CC1 238640302 572343828 /nfs/dbraw/zinc/34/38/28/572343828.db2.gz PJNRHJLIBXLOTA-UHFFFAOYSA-N 0 0 166.264 2.361 10 30 AEEERN C#CC1(C=C=C(CCO)C2CC2)CC1 238637349 572343896 /nfs/dbraw/zinc/34/38/96/572343896.db2.gz PZBLUTKTIOBXFV-UHFFFAOYSA-N 0 0 188.270 2.274 10 30 AEEERN C=CC[C@H](O)C1(CC)CC1 307135324 572343925 /nfs/dbraw/zinc/34/39/25/572343925.db2.gz QNWHPAQHXNSBTR-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN CCC=C(C(=O)CC)C(=O)CC 238216308 572344012 /nfs/dbraw/zinc/34/40/12/572344012.db2.gz IRACSVUMLGQPIG-UHFFFAOYSA-N 0 0 168.236 2.281 10 30 AEEERN CCCCC[C@@H](O)C#CCCCCO 238214146 572344017 /nfs/dbraw/zinc/34/40/17/572344017.db2.gz LBLDPDCZGXKTSX-GFCCVEGCSA-N 0 0 198.306 2.094 10 30 AEEERN C=C(CCO)C[C@H](O)c1ccccc1 238636655 572344160 /nfs/dbraw/zinc/34/41/60/572344160.db2.gz BPBZEOHDLGGYMC-LBPRGKRZSA-N 0 0 192.258 2.049 10 30 AEEERN CCCCC#C[C@@](C)(CC=O)OC 238217117 572344279 /nfs/dbraw/zinc/34/42/79/572344279.db2.gz CCAZRVYLKNLTPT-NSHDSACASA-N 0 0 182.263 2.174 10 30 AEEERN CCCCC[C@@H](O)[C@@H]1CCC=CC1=O 238216221 572344367 /nfs/dbraw/zinc/34/43/67/572344367.db2.gz NVVHFQYRGAXJNG-WDEREUQCSA-N 0 0 196.290 2.463 10 30 AEEERN C=C(C)[C@](C)(O)[C@H](O)/C(C)=C\CC 238216107 572344402 /nfs/dbraw/zinc/34/44/02/572344402.db2.gz SGBUQIIMRPNPQP-QNZWMITPSA-N 0 0 184.279 2.031 10 30 AEEERN CC[C@H](C)ON=Cc1cscn1 307980225 572344562 /nfs/dbraw/zinc/34/45/62/572344562.db2.gz OIUZRZJGSXIAHQ-ZETCQYMHSA-N 0 0 184.264 2.292 10 30 AEEERN C#CC[C@H](C=O)Cc1ccccc1 238638863 572344668 /nfs/dbraw/zinc/34/46/68/572344668.db2.gz HOAMCQSILLSLTD-LBPRGKRZSA-N 0 0 172.227 2.068 10 30 AEEERN C[C@@H]1CCCC(=O)[C@@]12CC[C@H](C=O)C2 196616571 572344783 /nfs/dbraw/zinc/34/47/83/572344783.db2.gz BQWSYGKLXLCPTN-JFGNBEQYSA-N 0 0 194.274 2.361 10 30 AEEERN C=CCO/C(C)=C/[C@H](O)CCC 307983515 572344836 /nfs/dbraw/zinc/34/48/36/572344836.db2.gz QZSVGSJFXVQJCE-AAXQSMANSA-N 0 0 170.252 2.254 10 30 AEEERN CCCCC[C@@H](O)C#C[C@@](C)(O)CC 238214233 572344946 /nfs/dbraw/zinc/34/49/46/572344946.db2.gz LROXOXOPTIJDCN-NEPJUHHUSA-N 0 0 198.306 2.092 10 30 AEEERN C#CCn1cc(C)c(C)c1C 68944460 572345023 /nfs/dbraw/zinc/34/50/23/572345023.db2.gz NJWSVIICRZWQME-UHFFFAOYSA-N 0 0 147.221 2.047 10 30 AEEERN CC1(C)CC=C[C@@](C)(C#N)C1=O 196617482 572345044 /nfs/dbraw/zinc/34/50/44/572345044.db2.gz SRDUUCGRJBSFQJ-JTQLQIEISA-N 0 0 163.220 2.071 10 30 AEEERN C=C[C@@H](C)[C@H](O)C#CCCCC 238216647 572345115 /nfs/dbraw/zinc/34/51/15/572345115.db2.gz QOTBCPPQMDPZCK-GHMZBOCLSA-N 0 0 166.264 2.363 10 30 AEEERN CCCCC[C@@H](O)C#CC1CC1 238214055 572345407 /nfs/dbraw/zinc/34/54/07/572345407.db2.gz ZHRMZMRMPBAVFJ-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CCN(CC1CC1)C(C)(C)C#N 307984264 572345333 /nfs/dbraw/zinc/34/53/33/572345333.db2.gz QLCNAEXHJHBOLL-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN C=CCCOC1=C(C)CCC1=O 238213728 572345352 /nfs/dbraw/zinc/34/53/52/572345352.db2.gz HUQSSKHTXYOXLH-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=CCOC[C@@H](O)CC#CCCCC 238215780 572345365 /nfs/dbraw/zinc/34/53/65/572345365.db2.gz OGBUFBPJZOTMPS-LBPRGKRZSA-N 0 0 196.290 2.134 10 30 AEEERN C#CCCC[C@H](O)C#CCCCC 238216403 572345421 /nfs/dbraw/zinc/34/54/21/572345421.db2.gz JYCQJMNKJYEXGF-LBPRGKRZSA-N 0 0 178.275 2.344 10 30 AEEERN CCCCC[C@@H](O)[C@H]1CCC=CC1=O 238217133 572345427 /nfs/dbraw/zinc/34/54/27/572345427.db2.gz NVVHFQYRGAXJNG-GHMZBOCLSA-N 0 0 196.290 2.463 10 30 AEEERN C#C[C@@H](C)[C@H](O)CCCCC 238216535 572345454 /nfs/dbraw/zinc/34/54/54/572345454.db2.gz PNPJZHJOKXXMKY-NXEZZACHSA-N 0 0 154.253 2.197 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@H]1C=CCCC1 307149745 572345504 /nfs/dbraw/zinc/34/55/04/572345504.db2.gz RVKPDKXZNLLEAR-ZJUUUORDSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC(=O)CCC(C)C 60304741 572345626 /nfs/dbraw/zinc/34/56/26/572345626.db2.gz MDIMAZURMJNUMX-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@@H](C)Nc1ccc(N(C)C)nc1 307100278 572345645 /nfs/dbraw/zinc/34/56/45/572345645.db2.gz GUJHLBAVRUGDFX-SECBINFHSA-N 0 0 191.278 2.134 10 30 AEEERN C=C(C)[C@@H](O)c1ncccc1Cl 307134552 572345704 /nfs/dbraw/zinc/34/57/04/572345704.db2.gz ONQQUCJQXIXKLN-SECBINFHSA-N 0 0 183.638 2.345 10 30 AEEERN C=C[C@]1(C)C(=O)[C@@H]2CC(C)=C[C@H]21 307152166 572345757 /nfs/dbraw/zinc/34/57/57/572345757.db2.gz XFGKBBQXRKYSPI-KKZNHRDASA-N 0 0 162.232 2.344 10 30 AEEERN C=C(C)[C@@H](O)CC#C[Si](C)(C)C 196617187 572345776 /nfs/dbraw/zinc/34/57/76/572345776.db2.gz OCLIBYGHANJTJZ-JTQLQIEISA-N 0 0 182.339 2.194 10 30 AEEERN CC/C=C/C/C=C/C[C@@H]1O[C@H]1CO 238218851 572346754 /nfs/dbraw/zinc/34/67/54/572346754.db2.gz QNLDXLAPCXMDNF-BNXLTRHYSA-N 0 0 182.263 2.049 10 30 AEEERN C#C[C@@H](C=C)[C@H](O)CCCCC 238216678 572345889 /nfs/dbraw/zinc/34/58/89/572345889.db2.gz UTQGIQQJOCTZBA-WDEREUQCSA-N 0 0 166.264 2.363 10 30 AEEERN CC1(C)CC=C[C@](C)(C#N)C1=O 196617490 572346055 /nfs/dbraw/zinc/34/60/55/572346055.db2.gz SRDUUCGRJBSFQJ-SNVBAGLBSA-N 0 0 163.220 2.071 10 30 AEEERN CCCCC[C@H](C=O)OCC 238218003 572346212 /nfs/dbraw/zinc/34/62/12/572346212.db2.gz APAHTIBFVWRAFE-SECBINFHSA-N 0 0 158.241 2.171 10 30 AEEERN COCCCC=NOCC(C)C 307983811 572346709 /nfs/dbraw/zinc/34/67/09/572346709.db2.gz QGDXGRMRZWEJKB-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN CCCCNC=CC(=O)C(C)C 238218265 572347042 /nfs/dbraw/zinc/34/70/42/572347042.db2.gz YSQBMEBRIGQYLS-SOFGYWHQSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(COC)[C@@]1(O)CC(C)(C)C[C@@H]1C 307171171 572347043 /nfs/dbraw/zinc/34/70/43/572347043.db2.gz BBZKMFVQHAQDIT-JOYOIKCWSA-N 0 0 198.306 2.376 10 30 AEEERN CC(C)C1([C@H]2CO2)CCC1 23834040 572347170 /nfs/dbraw/zinc/34/71/70/572347170.db2.gz XESWJGOSSKUIFP-MRVPVSSYSA-N 0 0 140.226 2.212 10 30 AEEERN CCC(=O)OCCCCCCC=O 238218097 572347258 /nfs/dbraw/zinc/34/72/58/572347258.db2.gz RONGEVBQJDWLSL-UHFFFAOYSA-N 0 0 186.251 2.089 10 30 AEEERN C=C(COC)C1(O)CCC(C)CC1 307122288 572347282 /nfs/dbraw/zinc/34/72/82/572347282.db2.gz VPYOFTPGHDWBQC-UHFFFAOYSA-N 0 0 184.279 2.130 10 30 AEEERN C#CCCC[C@@H](O)C#CCCCC 238217972 572347333 /nfs/dbraw/zinc/34/73/33/572347333.db2.gz JYCQJMNKJYEXGF-GFCCVEGCSA-N 0 0 178.275 2.344 10 30 AEEERN CC/C=C/C/C=C/C[C@@H]1O[C@@H]1C=O 238218760 572347416 /nfs/dbraw/zinc/34/74/16/572347416.db2.gz BURHCBBZIZEPCV-HZISCAQFSA-N 0 0 180.247 2.255 10 30 AEEERN C=C1[C@@H](C)[C@]1(CO)c1ccc(F)cc1 307108137 572347455 /nfs/dbraw/zinc/34/74/55/572347455.db2.gz BBWDQKSAZBXJQA-BXKDBHETSA-N 0 0 192.233 2.262 10 30 AEEERN CC/C=C/C/C=C/C[C@H]1O[C@@H]1C=O 238218880 572347466 /nfs/dbraw/zinc/34/74/66/572347466.db2.gz BURHCBBZIZEPCV-SMBRGGPSSA-N 0 0 180.247 2.255 10 30 AEEERN CCCCCCCC[C@@H](O)C#CCO 238218950 572347591 /nfs/dbraw/zinc/34/75/91/572347591.db2.gz BJKCIUFIBAKASO-GFCCVEGCSA-N 0 0 198.306 2.094 10 30 AEEERN CCC/C=C/[C@H](O)C#C/C=C/OCC 238217468 572347820 /nfs/dbraw/zinc/34/78/20/572347820.db2.gz PZJZXZSJFZDTQH-BYTWRVAXSA-N 0 0 194.274 2.257 10 30 AEEERN CC/C=C/C/C=C/C[C@@H]1O[C@@H]1CO 238218796 572347919 /nfs/dbraw/zinc/34/79/19/572347919.db2.gz QNLDXLAPCXMDNF-HZISCAQFSA-N 0 0 182.263 2.049 10 30 AEEERN CN(CCCS)c1ccccc1 87054620 572347922 /nfs/dbraw/zinc/34/79/22/572347922.db2.gz ZNOJGZQUZVEZOY-UHFFFAOYSA-N 0 0 181.304 2.443 10 30 AEEERN C=C[C@@H]1CC[C@H](C=C)[C@@]12CC[C@@H](O)O2 307125686 572348024 /nfs/dbraw/zinc/34/80/24/572348024.db2.gz CFEBVNXEFHQMLD-USZNOCQGSA-N 0 0 194.274 2.252 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@H]1C 307988035 572349378 /nfs/dbraw/zinc/34/93/78/572349378.db2.gz RZRPABLPHUGNLY-IWSPIJDZSA-N 0 0 168.236 2.150 10 30 AEEERN C=C(C)CCNC(=O)OCCCC 238217446 572349380 /nfs/dbraw/zinc/34/93/80/572349380.db2.gz BMKYSIKYMYFABK-UHFFFAOYSA-N 0 0 185.267 2.479 10 30 AEEERN CCC[C@@H](C[C@@H](C)C=O)C(C)=O 238218171 572348249 /nfs/dbraw/zinc/34/82/49/572348249.db2.gz KXMQRFCGUGPAMP-SCZZXKLOSA-N 0 0 170.252 2.217 10 30 AEEERN CC1=CC(=O)C[C@@H](CCCCO)C1 238217334 572348314 /nfs/dbraw/zinc/34/83/14/572348314.db2.gz ZEKONUWDBFIRAG-JTQLQIEISA-N 0 0 182.263 2.074 10 30 AEEERN C=C[C@H](C)[C@@H](O)C#CCCCC 238218077 572348516 /nfs/dbraw/zinc/34/85/16/572348516.db2.gz QOTBCPPQMDPZCK-QWRGUYRKSA-N 0 0 166.264 2.363 10 30 AEEERN CC1=CC(=O)C[C@H](CCCCO)C1 238217807 572348498 /nfs/dbraw/zinc/34/84/98/572348498.db2.gz ZEKONUWDBFIRAG-SNVBAGLBSA-N 0 0 182.263 2.074 10 30 AEEERN C=C[C@@H](C)[C@@H](O)C#CCCCC 238218209 572348747 /nfs/dbraw/zinc/34/87/47/572348747.db2.gz QOTBCPPQMDPZCK-MNOVXSKESA-N 0 0 166.264 2.363 10 30 AEEERN CC/C=C/C/C=C/C[C@H]1O[C@H]1CO 238218951 572348802 /nfs/dbraw/zinc/34/88/02/572348802.db2.gz QNLDXLAPCXMDNF-CLBSKPJPSA-N 0 0 182.263 2.049 10 30 AEEERN CCC/C=N/[C@@H](CC(C)C)C(=O)[O-] 238218947 572348829 /nfs/dbraw/zinc/34/88/29/572348829.db2.gz APCFTFKZHOVZED-CAXXOGMASA-N 0 0 185.267 2.357 10 30 AEEERN C=CC[C@@H](O)/C=C/C#CC#CCCC 238217429 572348840 /nfs/dbraw/zinc/34/88/40/572348840.db2.gz AAOBYDYOAZKODR-RSKUSDAESA-N 0 0 188.270 2.287 10 30 AEEERN CC/C=C/C/C=C/C[C@@H]1O[C@@H]1CCO 238218777 572348842 /nfs/dbraw/zinc/34/88/42/572348842.db2.gz MIFZQVMCJOTVBW-RSZHFQCASA-N 0 0 196.290 2.439 10 30 AEEERN CCCCC#C[C@](C)(CCO)OCC 238218727 572348856 /nfs/dbraw/zinc/34/88/56/572348856.db2.gz BTTJVCFMKCRTHP-GFCCVEGCSA-N 0 0 198.306 2.358 10 30 AEEERN CC(C)[C@H](O)[C@H](C)[C@@H]1O[C@@H]1C(C)C 238218100 572348948 /nfs/dbraw/zinc/34/89/48/572348948.db2.gz OBENSQPYNMZWBP-MMWGEVLESA-N 0 0 186.295 2.063 10 30 AEEERN C=CCC(=O)C[C@@H](O)/C=C/CCC 238217577 572348962 /nfs/dbraw/zinc/34/89/62/572348962.db2.gz CUSVBLVSRPDPLB-IOCXFXADSA-N 0 0 182.263 2.239 10 30 AEEERN CCCCC#C[C@](C)(CC=O)OC 238218694 572349049 /nfs/dbraw/zinc/34/90/49/572349049.db2.gz CCAZRVYLKNLTPT-LLVKDONJSA-N 0 0 182.263 2.174 10 30 AEEERN C=CC[C@H](O)/C=C/C#CC#CCCC 238217416 572349132 /nfs/dbraw/zinc/34/91/32/572349132.db2.gz AAOBYDYOAZKODR-XSNHNAGMSA-N 0 0 188.270 2.287 10 30 AEEERN CC/C=C/C/C=C/C[C@H]1O[C@@H]1CO 238218911 572349412 /nfs/dbraw/zinc/34/94/12/572349412.db2.gz QNLDXLAPCXMDNF-SMBRGGPSSA-N 0 0 182.263 2.049 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@@H]1C 307988033 572349497 /nfs/dbraw/zinc/34/94/97/572349497.db2.gz RZRPABLPHUGNLY-DJLDLDEBSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H]1C[C@@H]1C 307988036 572350013 /nfs/dbraw/zinc/35/00/13/572350013.db2.gz RZRPABLPHUGNLY-YIZRAAEISA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@]1(C)C[C@H]1[C@H](O)C(=C)C 307186815 572350204 /nfs/dbraw/zinc/35/02/04/572350204.db2.gz NGPIIVKUVBIKLG-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN CC/C=C/C=C/C#CC#CCCCO 238219037 572350493 /nfs/dbraw/zinc/35/04/93/572350493.db2.gz PWSLXNDRSAQHIG-VNKDHWASSA-N 0 0 188.270 2.288 10 30 AEEERN C=CC[C@H](O)/C=C/C=C/CC 238219270 572350539 /nfs/dbraw/zinc/35/05/39/572350539.db2.gz LGGQHPMWPIHDDM-OLJSCQNGSA-N 0 0 152.237 2.446 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H]1C[C@H]1C 307988034 572350560 /nfs/dbraw/zinc/35/05/60/572350560.db2.gz RZRPABLPHUGNLY-HLTSFMKQSA-N 0 0 168.236 2.150 10 30 AEEERN C=C1CCCN(C(=O)/C(C)=C\C)C1 307194498 572350921 /nfs/dbraw/zinc/35/09/21/572350921.db2.gz PSHFRIAQRPIRBJ-WMZJFQQLSA-N 0 0 179.263 2.131 10 30 AEEERN O=C[C@H]1C=CCCCCC1 238641643 572350994 /nfs/dbraw/zinc/35/09/94/572350994.db2.gz WOJQZRHEMFHMLU-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CCSC(CCCCCO)=NO 307987708 572351029 /nfs/dbraw/zinc/35/10/29/572351029.db2.gz UBPSDELOBBSDNI-UHFFFAOYSA-N 0 0 191.296 2.080 10 30 AEEERN C#CCCC/C=C/CCCO 238641599 572351865 /nfs/dbraw/zinc/35/18/65/572351865.db2.gz NBFPAVDZKXZLHX-VOTSOKGWSA-N 0 0 152.237 2.119 10 30 AEEERN C=CC[C@](C)(C=C)C(C)=O 141010234 572352132 /nfs/dbraw/zinc/35/21/32/572352132.db2.gz BSTMXJIJIWYSHM-VIFPVBQESA-N 0 0 138.210 2.344 10 30 AEEERN C=CCC[C@@H]1CCC[C@H]1OCCO 238644589 572352703 /nfs/dbraw/zinc/35/27/03/572352703.db2.gz IFJJQQJOQWZYPT-GHMZBOCLSA-N 0 0 184.279 2.130 10 30 AEEERN C=CC[C@](C)(O)C1CCC1 307102725 572352805 /nfs/dbraw/zinc/35/28/05/572352805.db2.gz IFRDEEOJZPGYRN-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C#Cc1csc(CCC)n1 307198808 572352881 /nfs/dbraw/zinc/35/28/81/572352881.db2.gz VQSOHDIBZVSIEK-UHFFFAOYSA-N 0 0 151.234 2.077 10 30 AEEERN C=C[C@@H]1CCC[C@@H]1[C@H](O)CC 307132893 572352952 /nfs/dbraw/zinc/35/29/52/572352952.db2.gz MBDHLVQBSLHCLW-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(CCCO)[C@H](O)c1ccccc1 238647432 572352962 /nfs/dbraw/zinc/35/29/62/572352962.db2.gz UBKKXVPHCZYAJJ-LBPRGKRZSA-N 0 0 192.258 2.049 10 30 AEEERN C=CCC(=CCCO)CC=C 238645492 572352995 /nfs/dbraw/zinc/35/29/95/572352995.db2.gz IPRBLEGODAZYEN-UHFFFAOYSA-N 0 0 152.237 2.447 10 30 AEEERN C#CC[C@H](O)CC/C=C/CC 238220204 572353260 /nfs/dbraw/zinc/35/32/60/572353260.db2.gz PAHSYTXMQZJFAO-PORFMDCZSA-N 0 0 152.237 2.117 10 30 AEEERN O=C[C@@H]1N=C1c1cccc2ccccc12 238646652 572353362 /nfs/dbraw/zinc/35/33/62/572353362.db2.gz WEUOLGVLOUPTPK-LBPRGKRZSA-N 0 0 195.221 2.210 10 30 AEEERN C=C1C[C@@H]2C(=O)CC[C@H]2[C@H]1C 307134735 572353480 /nfs/dbraw/zinc/35/34/80/572353480.db2.gz ACXFTHINQIURNV-CIUDSAMLSA-N 0 0 150.221 2.178 10 30 AEEERN C#CCC[C@@H](O)c1cnc(C)cc1C 307122835 572353647 /nfs/dbraw/zinc/35/36/47/572353647.db2.gz MXWSJHJFDDBWLB-GFCCVEGCSA-N 0 0 189.258 2.145 10 30 AEEERN O=C[C@@H]1O[C@H]1c1cccc2ccccc12 238647658 572353744 /nfs/dbraw/zinc/35/37/44/572353744.db2.gz ANCHHVFFNMETOS-STQMWFEESA-N 0 0 198.221 2.479 10 30 AEEERN C=CCC[C@H]1CCC[C@@H]1OCCO 238646036 572353753 /nfs/dbraw/zinc/35/37/53/572353753.db2.gz IFJJQQJOQWZYPT-QWRGUYRKSA-N 0 0 184.279 2.130 10 30 AEEERN C=CC[C@@H](O)CC1(C)CC1 307117482 572353766 /nfs/dbraw/zinc/35/37/66/572353766.db2.gz UNZVSKKWFXIYFV-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN O=C[C@@H]1O[C@@H]1c1cccc2ccccc12 238647474 572353835 /nfs/dbraw/zinc/35/38/35/572353835.db2.gz ANCHHVFFNMETOS-QWHCGFSZSA-N 0 0 198.221 2.479 10 30 AEEERN C=C(C)[C@H](NN)c1csc(C)c1C 307134156 572353914 /nfs/dbraw/zinc/35/39/14/572353914.db2.gz NPHJADODVMBKRY-JTQLQIEISA-N 0 0 196.319 2.445 10 30 AEEERN C=CCCCOc1ccc(N)cn1 236334635 572353926 /nfs/dbraw/zinc/35/39/26/572353926.db2.gz MDVNPPDNNKTCEQ-UHFFFAOYSA-N 0 0 178.235 2.009 10 30 AEEERN C=CCO/C(C)=C\[C@@H](O)C(C)C 238220251 572353962 /nfs/dbraw/zinc/35/39/62/572353962.db2.gz NVVXHVQASUXFNU-UJICNMFASA-N 0 0 170.252 2.110 10 30 AEEERN N#CCCCC/C=C/[C@H]1C[C@H]1C=O 238644904 572353978 /nfs/dbraw/zinc/35/39/78/572353978.db2.gz VSDZFTJICDOAMW-LJRGRFNSSA-N 0 0 177.247 2.462 10 30 AEEERN C=CCC[C@@H]1CCC[C@@H]1OCCO 238646075 572354086 /nfs/dbraw/zinc/35/40/86/572354086.db2.gz IFJJQQJOQWZYPT-MNOVXSKESA-N 0 0 184.279 2.130 10 30 AEEERN C=CCC[C@H]1CCC[C@H]1OCCO 238644548 572354089 /nfs/dbraw/zinc/35/40/89/572354089.db2.gz IFJJQQJOQWZYPT-WDEREUQCSA-N 0 0 184.279 2.130 10 30 AEEERN C=CC[C@]1(C)C(=O)CCCCC[C@H]1O 307105154 572354111 /nfs/dbraw/zinc/35/41/11/572354111.db2.gz JIQRLMTUOXJJRC-PWSUYJOCSA-N 0 0 196.290 2.463 10 30 AEEERN C#CC[C@](O)(CC)C1CCCC1 307164602 572354217 /nfs/dbraw/zinc/35/42/17/572354217.db2.gz MKYCIQWKZZUAHG-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C=C(CCCO)C1(O)CCCCC1 238647119 572354374 /nfs/dbraw/zinc/35/43/74/572354374.db2.gz VEZSRKNQAFSKGM-UHFFFAOYSA-N 0 0 184.279 2.010 10 30 AEEERN CCCCC(=O)OC(C)(C)C#N 307991657 572354441 /nfs/dbraw/zinc/35/44/41/572354441.db2.gz TZHBUTDMKLWZDI-UHFFFAOYSA-N 0 0 169.224 2.022 10 30 AEEERN C=C(C)/C=C/NC(=O)C(C)(C)C 307174090 572355940 /nfs/dbraw/zinc/35/59/40/572355940.db2.gz DMAKEGCBCXFYPB-VOTSOKGWSA-N 0 0 167.252 2.239 10 30 AEEERN C=C(CCCO)[C@@H](O)c1ccccc1 238647390 572354978 /nfs/dbraw/zinc/35/49/78/572354978.db2.gz UBKKXVPHCZYAJJ-GFCCVEGCSA-N 0 0 192.258 2.049 10 30 AEEERN C=C1C[C@@H]2[C@@H](O)CCC[C@@H]2C1 307148549 572355104 /nfs/dbraw/zinc/35/51/04/572355104.db2.gz PPLGREKTZFJGCV-UTLUCORTSA-N 0 0 152.237 2.114 10 30 AEEERN C=CC(C)(C)CNc1ccc(N)nc1 307108935 572355242 /nfs/dbraw/zinc/35/52/42/572355242.db2.gz KEMPGOOERAHZBE-UHFFFAOYSA-N 0 0 191.278 2.288 10 30 AEEERN O=C[C@@H]1Cc2cccc3cccc(c23)O1 238646621 572355267 /nfs/dbraw/zinc/35/52/67/572355267.db2.gz GJLTYMSJLQEZON-NSHDSACASA-N 0 0 198.221 2.342 10 30 AEEERN C=C(C(F)(F)F)[C@@]1(O)CC[C@H]1C 307174304 572355350 /nfs/dbraw/zinc/35/53/50/572355350.db2.gz TURHAMQZXBWAML-IYSWYEEDSA-N 0 0 180.169 2.266 10 30 AEEERN C=CCc1c(C#N)cccc1OC 140918900 572355636 /nfs/dbraw/zinc/35/56/36/572355636.db2.gz ZFBLXKYYQSRPDC-UHFFFAOYSA-N 0 0 173.215 2.295 10 30 AEEERN C=C[C@@H]1CC=CC[C@@H]1[C@H](O)C=C 307190903 572355810 /nfs/dbraw/zinc/35/58/10/572355810.db2.gz ADCJPZGVWUCLEG-OUAUKWLOSA-N 0 0 164.248 2.302 10 30 AEEERN C#CC(=O)CCC/C=C/CCCCO 238649261 572355999 /nfs/dbraw/zinc/35/59/99/572355999.db2.gz ATWWBVXBLKHTTP-ONEGZZNKSA-N 0 0 194.274 2.078 10 30 AEEERN OCCCC/N=C/c1ccc(F)cc1 238649792 572356027 /nfs/dbraw/zinc/35/60/27/572356027.db2.gz JAWZUIYVUFMJGQ-UKTHLTGXSA-N 0 0 195.237 2.017 10 30 AEEERN C=C1C[C@@H](C2CCCCC2)O[C@@H]1O 141031566 572356351 /nfs/dbraw/zinc/35/63/51/572356351.db2.gz UBRBXLWSLCVGMY-QWRGUYRKSA-N 0 0 182.263 2.230 10 30 AEEERN C=C(Br)C[C@H](O)C(C)C 140909011 572356439 /nfs/dbraw/zinc/35/64/39/572356439.db2.gz AOOPVEDWPFOEPT-ZETCQYMHSA-N 0 0 193.084 2.302 10 30 AEEERN CCC(=CC(=O)CCOC)CC 238220369 572356501 /nfs/dbraw/zinc/35/65/01/572356501.db2.gz ZLMXRHFUBLHQNB-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN O=C[C@@H]1CCCC[C@@H]1CCCCO 238665415 572356502 /nfs/dbraw/zinc/35/65/02/572356502.db2.gz WTEQSLXRXVXSFI-MNOVXSKESA-N 0 0 184.279 2.154 10 30 AEEERN O=C[C@H]1N=C1c1cccc2ccccc12 238665228 572356531 /nfs/dbraw/zinc/35/65/31/572356531.db2.gz WEUOLGVLOUPTPK-GFCCVEGCSA-N 0 0 195.221 2.210 10 30 AEEERN C=CCC1=N[C@@H](O)CCCCC1 238667827 572356617 /nfs/dbraw/zinc/35/66/17/572356617.db2.gz KINTZJHEPUTEOE-JTQLQIEISA-N 0 0 167.252 2.286 10 30 AEEERN C=CCCC[C@H](O)C1=CCCCC1=O 238666193 572356633 /nfs/dbraw/zinc/35/66/33/572356633.db2.gz LTQSBUFEEGRXCV-NSHDSACASA-N 0 0 194.274 2.383 10 30 AEEERN O=CCCC[C@H](O)c1ccccc1 238666681 572356662 /nfs/dbraw/zinc/35/66/62/572356662.db2.gz XFKQQXDJIXUVKP-NSHDSACASA-N 0 0 178.231 2.089 10 30 AEEERN C[C@@H](CCS)CCn1ccnc1 87091017 572357605 /nfs/dbraw/zinc/35/76/05/572357605.db2.gz PCJSBQDBPRVUDE-SECBINFHSA-N 0 0 184.308 2.229 10 30 AEEERN C=C(Br)C[C@@H](O)C(C)C 140908831 572356853 /nfs/dbraw/zinc/35/68/53/572356853.db2.gz AOOPVEDWPFOEPT-SSDOTTSWSA-N 0 0 193.084 2.302 10 30 AEEERN O=C[C@H]1O[C@@H]1c1cccc2ccccc12 238665933 572356855 /nfs/dbraw/zinc/35/68/55/572356855.db2.gz ANCHHVFFNMETOS-CHWSQXEVSA-N 0 0 198.221 2.479 10 30 AEEERN OCCCC[C@@H]1O[C@H]1c1ccccc1 238663961 572356817 /nfs/dbraw/zinc/35/68/17/572356817.db2.gz RRRJZHAXERGADQ-RYUDHWBXSA-N 0 0 192.258 2.289 10 30 AEEERN C=CC[C@@H](O)CCCC[C@@H](O)CC=C 238668474 572356952 /nfs/dbraw/zinc/35/69/52/572356952.db2.gz OGDZRGVGQFPGGY-TXEJJXNPSA-N 0 0 198.306 2.421 10 30 AEEERN C=CC[C@@H](O)CCCC[C@H](O)CC=C 238668509 572356957 /nfs/dbraw/zinc/35/69/57/572356957.db2.gz OGDZRGVGQFPGGY-VXGBXAGGSA-N 0 0 198.306 2.421 10 30 AEEERN C=CCC1(CC=C)C(=O)CCC[C@@H]1O 238664408 572356961 /nfs/dbraw/zinc/35/69/61/572356961.db2.gz DXLUGKXHKSLOKQ-JTQLQIEISA-N 0 0 194.274 2.239 10 30 AEEERN Cc1cc(CNCCC#N)sc1C 83633437 572356982 /nfs/dbraw/zinc/35/69/82/572356982.db2.gz JPDXIRPCAQJZOX-UHFFFAOYSA-N 0 0 194.303 2.368 10 30 AEEERN C=CCCC[C@H](O)[C@@H]1CCCCC1=O 238666362 572357061 /nfs/dbraw/zinc/35/70/61/572357061.db2.gz ZGWMUNSZWKMZQQ-QWRGUYRKSA-N 0 0 196.290 2.463 10 30 AEEERN O=C[C@H]1O[C@H]1c1cccc2ccccc12 238666132 572357073 /nfs/dbraw/zinc/35/70/73/572357073.db2.gz ANCHHVFFNMETOS-OLZOCXBDSA-N 0 0 198.221 2.479 10 30 AEEERN N#CCCCC/C=C/[C@@H]1C[C@@H]1C=O 238664396 572357095 /nfs/dbraw/zinc/35/70/95/572357095.db2.gz VSDZFTJICDOAMW-JYBZGJHDSA-N 0 0 177.247 2.462 10 30 AEEERN N#CC[C@@H](O)CCCc1ccccc1 238669143 572357213 /nfs/dbraw/zinc/35/72/13/572357213.db2.gz OGAVQRDPOBHDKP-LBPRGKRZSA-N 0 0 189.258 2.284 10 30 AEEERN O=CCCC[C@H](O)C1CCCCC1 238666599 572357219 /nfs/dbraw/zinc/35/72/19/572357219.db2.gz JJEBELZGBGJTNW-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN OCCCC[C@@H]1O[C@@H]1c1ccccc1 238663874 572357268 /nfs/dbraw/zinc/35/72/68/572357268.db2.gz RRRJZHAXERGADQ-NWDGAFQWSA-N 0 0 192.258 2.289 10 30 AEEERN C=CCC[C@H](O)Cc1ccco1 238664113 572357278 /nfs/dbraw/zinc/35/72/78/572357278.db2.gz FGVWHTWPIPFTJG-VIFPVBQESA-N 0 0 166.220 2.149 10 30 AEEERN C=C1CCCC[C@H]1[C@@H](O)CCCCO 238664936 572357296 /nfs/dbraw/zinc/35/72/96/572357296.db2.gz CMFUEQUCXLJDMN-NEPJUHHUSA-N 0 0 198.306 2.256 10 30 AEEERN OCCCC[C@H]1O[C@@H]1c1ccccc1 238665720 572357336 /nfs/dbraw/zinc/35/73/36/572357336.db2.gz RRRJZHAXERGADQ-VXGBXAGGSA-N 0 0 192.258 2.289 10 30 AEEERN C=C[C@H](CCO)Cc1ccccc1 238669108 572357357 /nfs/dbraw/zinc/35/73/57/572357357.db2.gz YHVVNBZENSHGRV-LLVKDONJSA-N 0 0 176.259 2.414 10 30 AEEERN CCC[C@H](CS)Cn1ccnc1 87091024 572357359 /nfs/dbraw/zinc/35/73/59/572357359.db2.gz QGJBQRNNZDSTCW-VIFPVBQESA-N 0 0 184.308 2.229 10 30 AEEERN O=CCC[C@@H](CCO)c1ccccc1 238668424 572357391 /nfs/dbraw/zinc/35/73/91/572357391.db2.gz CIZSFCYKFYKSHJ-LBPRGKRZSA-N 0 0 192.258 2.132 10 30 AEEERN C=CCc1c(O)ccc2c(C#N)c[nH]c12 238666086 572357471 /nfs/dbraw/zinc/35/74/71/572357471.db2.gz YGEHCKIXHMDXKU-UHFFFAOYSA-N 0 0 198.225 2.474 10 30 AEEERN C=CCC/C=C/C=C/C#CC#CCO 238669790 572357517 /nfs/dbraw/zinc/35/75/17/572357517.db2.gz KZDCZTYYFYAIFF-BSWSSELBSA-N 0 0 186.254 2.064 10 30 AEEERN CCCc1nccn1C/C=C/CS 87093509 572357518 /nfs/dbraw/zinc/35/75/18/572357518.db2.gz JRBAOBHTDHLTPV-ONEGZZNKSA-N 0 0 196.319 2.322 10 30 AEEERN C=C[C@H]1C=C[C@@H](C=C)[C@@H]1OC 307124354 572357539 /nfs/dbraw/zinc/35/75/39/572357539.db2.gz QXAGSWMAPQGUQB-MYJAWHEDSA-N 0 0 150.221 2.176 10 30 AEEERN Cc1ccn(C[C@@H](CS)C(C)C)n1 87094896 572357542 /nfs/dbraw/zinc/35/75/42/572357542.db2.gz TVXWGPZTGQXCAK-JTQLQIEISA-N 0 0 198.335 2.394 10 30 AEEERN C=C(C)[C@H](O)c1ncccc1Cl 307134553 572357604 /nfs/dbraw/zinc/35/76/04/572357604.db2.gz ONQQUCJQXIXKLN-VIFPVBQESA-N 0 0 183.638 2.345 10 30 AEEERN CC#C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1 307119448 572357684 /nfs/dbraw/zinc/35/76/84/572357684.db2.gz RVUDOJGVQAKUDV-JHJVBQTASA-N 0 0 186.254 2.174 10 30 AEEERN C=CCCC[C@H](O)[C@H]1CCC=CC1=O 238666394 572357698 /nfs/dbraw/zinc/35/76/98/572357698.db2.gz IFMXXCOGGUWCDN-MNOVXSKESA-N 0 0 194.274 2.239 10 30 AEEERN N#CCc1cc(O)c2cc(O)ccc2c1 238668898 572357761 /nfs/dbraw/zinc/35/77/61/572357761.db2.gz JUWNJLAWMOHIJI-UHFFFAOYSA-N 0 0 199.209 2.317 10 30 AEEERN COc1ccc(N(C)CCS)cc1 87073454 572357762 /nfs/dbraw/zinc/35/77/62/572357762.db2.gz MMBRBBUAGPXERG-UHFFFAOYSA-N 0 0 197.303 2.061 10 30 AEEERN C=CCC1(CC=C)CCC[C@H](O)O1 238664795 572357836 /nfs/dbraw/zinc/35/78/36/572357836.db2.gz CZVYQFBXBQBGGQ-SNVBAGLBSA-N 0 0 182.263 2.396 10 30 AEEERN C=C1CCCC[C@@H]1[C@@H](O)CCCCO 238664968 572357844 /nfs/dbraw/zinc/35/78/44/572357844.db2.gz CMFUEQUCXLJDMN-RYUDHWBXSA-N 0 0 198.306 2.256 10 30 AEEERN C=C[C@@H](O)CCCc1ccco1 238669267 572357868 /nfs/dbraw/zinc/35/78/68/572357868.db2.gz XSEATSXAKWUFMV-SECBINFHSA-N 0 0 166.220 2.149 10 30 AEEERN CC[C@@H](CS)Cn1cnc(C)c1C 87092806 572357922 /nfs/dbraw/zinc/35/79/22/572357922.db2.gz OIUPYTOEBXKZIR-SNVBAGLBSA-N 0 0 198.335 2.456 10 30 AEEERN O=C[C@H]1CCCC[C@@H]1CCCCO 238665388 572357927 /nfs/dbraw/zinc/35/79/27/572357927.db2.gz WTEQSLXRXVXSFI-GHMZBOCLSA-N 0 0 184.279 2.154 10 30 AEEERN Cc1cnn(C[C@H](CS)C(C)C)c1 87092618 572357974 /nfs/dbraw/zinc/35/79/74/572357974.db2.gz ROAAVZNNYUJWKH-SNVBAGLBSA-N 0 0 198.335 2.394 10 30 AEEERN CCCCCC[C@H](C=O)[C@H](C)O 238220989 572357976 /nfs/dbraw/zinc/35/79/76/572357976.db2.gz MEWWQXRWMBBJAW-VHSXEESVSA-N 0 0 172.268 2.153 10 30 AEEERN C=CC/C=C/[C@@H](O)CCC=C 238664412 572357986 /nfs/dbraw/zinc/35/79/86/572357986.db2.gz KONFIOPFJATHES-PCYYEKQGSA-N 0 0 152.237 2.446 10 30 AEEERN Cc1cnn(CCCCCS)c1 87092631 572357999 /nfs/dbraw/zinc/35/79/99/572357999.db2.gz RIVFTNFKUMQTQN-UHFFFAOYSA-N 0 0 184.308 2.292 10 30 AEEERN CC[C@@H](CS)Cn1ccnc1C 87091247 572358035 /nfs/dbraw/zinc/35/80/35/572358035.db2.gz UTNPBDABWRVSEF-SECBINFHSA-N 0 0 184.308 2.148 10 30 AEEERN C=CCC[C@H](O)Cc1ccc(O)cc1 238664072 572358088 /nfs/dbraw/zinc/35/80/88/572358088.db2.gz MXJUAOFJBRQOCK-LBPRGKRZSA-N 0 0 192.258 2.262 10 30 AEEERN CCCc1nccn1C[C@H](C)CS 87093530 572358089 /nfs/dbraw/zinc/35/80/89/572358089.db2.gz RSINCBILALFQLL-VIFPVBQESA-N 0 0 198.335 2.402 10 30 AEEERN CC#C[C@]1(O)CCC[C@@H](CC)C1 307159952 572358094 /nfs/dbraw/zinc/35/80/94/572358094.db2.gz VLGDEKUAYTVJGX-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@H](CS)Cn1nc(C)cc1C 87091193 572358106 /nfs/dbraw/zinc/35/81/06/572358106.db2.gz TZOVGQMILRIQKB-JTQLQIEISA-N 0 0 198.335 2.456 10 30 AEEERN CCC[C@H](CS)Cn1cccn1 87090915 572358108 /nfs/dbraw/zinc/35/81/08/572358108.db2.gz LFAORWWSXCRFTN-VIFPVBQESA-N 0 0 184.308 2.229 10 30 AEEERN O=C[C@H]1Cc2cccc3cccc(c23)O1 238665194 572358129 /nfs/dbraw/zinc/35/81/29/572358129.db2.gz GJLTYMSJLQEZON-LLVKDONJSA-N 0 0 198.221 2.342 10 30 AEEERN C#CCCC[C@H](O)C#Cc1ccccc1 238665055 572358134 /nfs/dbraw/zinc/35/81/34/572358134.db2.gz GPENVWZFHUGUSQ-AWEZNQCLSA-N 0 0 198.265 2.203 10 30 AEEERN C#C[C@@H](O)CCCCCC=C 238667546 572358158 /nfs/dbraw/zinc/35/81/58/572358158.db2.gz ULKXRGDXZABXBE-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN C=CC#CCCC[C@H](O)CC=C 238665330 572358177 /nfs/dbraw/zinc/35/81/77/572358177.db2.gz HGDYLIMDVUTOMX-LLVKDONJSA-N 0 0 164.248 2.283 10 30 AEEERN CC(C)[C@H](CS)Cn1cccn1 87090894 572358183 /nfs/dbraw/zinc/35/81/83/572358183.db2.gz FUFWIKAVPKRAAX-VIFPVBQESA-N 0 0 184.308 2.085 10 30 AEEERN C=CCCC[C@H](O)[C@@H]1CCC=CC1=O 238666321 572358197 /nfs/dbraw/zinc/35/81/97/572358197.db2.gz IFMXXCOGGUWCDN-QWRGUYRKSA-N 0 0 194.274 2.239 10 30 AEEERN C=CCCC[C@H](O)[C@H]1CCCCC1=O 238666416 572358215 /nfs/dbraw/zinc/35/82/15/572358215.db2.gz ZGWMUNSZWKMZQQ-MNOVXSKESA-N 0 0 196.290 2.463 10 30 AEEERN C#CCCCC[C@H](O)CC=C 238666781 572358253 /nfs/dbraw/zinc/35/82/53/572358253.db2.gz KPMARXRQMOLYHX-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN CCc1c(C)nn(CCCS)c1C 87093903 572358518 /nfs/dbraw/zinc/35/85/18/572358518.db2.gz YIKWSLDMOFYAJY-UHFFFAOYSA-N 0 0 198.335 2.382 10 30 AEEERN COc1cccc(N(C)CCS)c1 87072838 572358523 /nfs/dbraw/zinc/35/85/23/572358523.db2.gz IWSROZYZUMMKRL-UHFFFAOYSA-N 0 0 197.303 2.061 10 30 AEEERN CCCN(CC#N)CCC(C)(C)C#N 83638984 572358552 /nfs/dbraw/zinc/35/85/52/572358552.db2.gz BRIIQGXAXPYASZ-UHFFFAOYSA-N 0 0 193.294 2.162 10 30 AEEERN CCc1nccn1C[C@H](CC)CS 87094677 572358567 /nfs/dbraw/zinc/35/85/67/572358567.db2.gz CTXQZDDGXAESIE-VIFPVBQESA-N 0 0 198.335 2.402 10 30 AEEERN C[C@@]1(CC(=O)c2ccccc2)CO1 206807602 572358569 /nfs/dbraw/zinc/35/85/69/572358569.db2.gz NPESXFZJTHEXQF-LLVKDONJSA-N 0 0 176.215 2.048 10 30 AEEERN CC(C)(C)[C@@H](CS)Cn1cccn1 87090943 572358588 /nfs/dbraw/zinc/35/85/88/572358588.db2.gz LPQHVDKPCHXCGU-SECBINFHSA-N 0 0 198.335 2.475 10 30 AEEERN CC[C@@H](CS)Cn1nccc1C 87094880 572358610 /nfs/dbraw/zinc/35/86/10/572358610.db2.gz BYUBAYTUCWYFDI-SECBINFHSA-N 0 0 184.308 2.148 10 30 AEEERN CCCc1nccn1C[C@@H](C)CS 87093529 572358635 /nfs/dbraw/zinc/35/86/35/572358635.db2.gz RSINCBILALFQLL-SECBINFHSA-N 0 0 198.335 2.402 10 30 AEEERN CC[C@H](CS)Cn1cnc(C)c1C 87092805 572358653 /nfs/dbraw/zinc/35/86/53/572358653.db2.gz OIUPYTOEBXKZIR-JTQLQIEISA-N 0 0 198.335 2.456 10 30 AEEERN CC(C)C(=O)C[C@H](C)CC#N 76589621 572358654 /nfs/dbraw/zinc/35/86/54/572358654.db2.gz JRYQKKGYKCEQBU-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)C(=O)C[C@@H](C)CC#N 76589616 572358678 /nfs/dbraw/zinc/35/86/78/572358678.db2.gz JRYQKKGYKCEQBU-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](CS)Cn1ccc(C)n1 87094936 572358684 /nfs/dbraw/zinc/35/86/84/572358684.db2.gz GXMHYWFIUGVIGE-VIFPVBQESA-N 0 0 184.308 2.148 10 30 AEEERN CC(C)CSCCOCCS 87096904 572358692 /nfs/dbraw/zinc/35/86/92/572358692.db2.gz KQUALPJQOREFNQ-UHFFFAOYSA-N 0 0 194.365 2.322 10 30 AEEERN Cc1cnn(C[C@@H](CS)C(C)C)c1 87092616 572358696 /nfs/dbraw/zinc/35/86/96/572358696.db2.gz ROAAVZNNYUJWKH-JTQLQIEISA-N 0 0 198.335 2.394 10 30 AEEERN C[C@H](CCS)CCn1cccn1 87090904 572358744 /nfs/dbraw/zinc/35/87/44/572358744.db2.gz KBIAGBKNDRIGSR-VIFPVBQESA-N 0 0 184.308 2.229 10 30 AEEERN CC[C@H](CS)Cn1cc(C)cn1 87092656 572358754 /nfs/dbraw/zinc/35/87/54/572358754.db2.gz IKANPHLHPBLIAA-VIFPVBQESA-N 0 0 184.308 2.148 10 30 AEEERN C[C@]1(CC(=O)c2ccccc2)CO1 206807562 572358765 /nfs/dbraw/zinc/35/87/65/572358765.db2.gz NPESXFZJTHEXQF-NSHDSACASA-N 0 0 176.215 2.048 10 30 AEEERN C=CCc1cc(C=O)ccc1F 140980399 572358769 /nfs/dbraw/zinc/35/87/69/572358769.db2.gz WTNOAASZMVRUQF-UHFFFAOYSA-N 0 0 164.179 2.367 10 30 AEEERN C=C[C@@]1(CC=O)CCCC[C@H]1CCO 238659331 572358774 /nfs/dbraw/zinc/35/87/74/572358774.db2.gz OOLPIJNXZOFOND-RYUDHWBXSA-N 0 0 196.290 2.320 10 30 AEEERN CCc1nccn1CC1(CS)CC1 87094664 572358780 /nfs/dbraw/zinc/35/87/80/572358780.db2.gz WNZJFBWTHOWNSL-UHFFFAOYSA-N 0 0 196.319 2.156 10 30 AEEERN CC(C)(C)[C@H](CS)Cn1ccnc1 87091051 572358934 /nfs/dbraw/zinc/35/89/34/572358934.db2.gz KGJQPKAOBUBLFL-VIFPVBQESA-N 0 0 198.335 2.475 10 30 AEEERN C=C(CC)Cn1ccc(=O)cc1Cl 307179035 572358958 /nfs/dbraw/zinc/35/89/58/572358958.db2.gz HUADHKPOHFOCCE-UHFFFAOYSA-N 0 0 197.665 2.468 10 30 AEEERN CCc1nccn1CC(C)(C)CS 87094647 572359056 /nfs/dbraw/zinc/35/90/56/572359056.db2.gz FHTPDVBZYCKKBR-UHFFFAOYSA-N 0 0 198.335 2.402 10 30 AEEERN CC(C)C(=O)[C@@H](C)CCC#N 76589623 572359057 /nfs/dbraw/zinc/35/90/57/572359057.db2.gz IDHMMMLLJIBFIA-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN C=CCCOC1(CC(=O)OC)CCC1 234533650 572359135 /nfs/dbraw/zinc/35/91/35/572359135.db2.gz IBBBTIRDQOHZJB-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN N#CCCCCCCCC#CCO 238672400 572359213 /nfs/dbraw/zinc/35/92/13/572359213.db2.gz GJUAPCZUCGODIU-UHFFFAOYSA-N 0 0 179.263 2.236 10 30 AEEERN CCCCCC[C@H](C=O)[C@@H](C)O 238220959 572359246 /nfs/dbraw/zinc/35/92/46/572359246.db2.gz MEWWQXRWMBBJAW-NXEZZACHSA-N 0 0 172.268 2.153 10 30 AEEERN COc1ccccc1N(C)CCS 87072536 572359279 /nfs/dbraw/zinc/35/92/79/572359279.db2.gz DDOFVJLKKVUJFK-UHFFFAOYSA-N 0 0 197.303 2.061 10 30 AEEERN CC(C)N(CC#N)CCC(C)(C)C#N 83638991 572359308 /nfs/dbraw/zinc/35/93/08/572359308.db2.gz YOWVKWDYFQLKTQ-UHFFFAOYSA-N 0 0 193.294 2.160 10 30 AEEERN OCCCCCSCCCS 238658185 572359324 /nfs/dbraw/zinc/35/93/24/572359324.db2.gz GLMYQGHFDDBRQR-UHFFFAOYSA-N 0 0 194.365 2.202 10 30 AEEERN C#CC[C@H](O)[C@H](C)CC(C)C 300983761 572359382 /nfs/dbraw/zinc/35/93/82/572359382.db2.gz UPWNCTFMNHLNDT-ZJUUUORDSA-N 0 0 154.253 2.053 10 30 AEEERN CC(C)C(=O)[C@H](C)CCC#N 76589625 572359390 /nfs/dbraw/zinc/35/93/90/572359390.db2.gz IDHMMMLLJIBFIA-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN CCCN=C(NC(C)C)c1ccco1 238219695 572359429 /nfs/dbraw/zinc/35/94/29/572359429.db2.gz QVJHOHRHRMMSEI-UHFFFAOYSA-N 0 0 194.278 2.434 10 30 AEEERN CCC[C@@H](CS)Cn1ccnc1 87091025 572359458 /nfs/dbraw/zinc/35/94/58/572359458.db2.gz QGJBQRNNZDSTCW-SECBINFHSA-N 0 0 184.308 2.229 10 30 AEEERN C=C[C@@H](O)CCCCCCCCO 238655880 572359459 /nfs/dbraw/zinc/35/94/59/572359459.db2.gz DMGFUAJQYZJWDR-LLVKDONJSA-N 0 0 186.295 2.256 10 30 AEEERN C#CC[C@@H](C=O)Cc1ccccc1 238658258 572359513 /nfs/dbraw/zinc/35/95/13/572359513.db2.gz HOAMCQSILLSLTD-GFCCVEGCSA-N 0 0 172.227 2.068 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1C=CCCC1 307149742 572359525 /nfs/dbraw/zinc/35/95/25/572359525.db2.gz RVKPDKXZNLLEAR-UWVGGRQHSA-N 0 0 179.263 2.033 10 30 AEEERN N#C[C@@H](C=O)c1ccc2c(c1)CCCC2 238658208 572359548 /nfs/dbraw/zinc/35/95/48/572359548.db2.gz XYHAUWCQDWKCIV-ZDUSSCGKSA-N 0 0 199.253 2.371 10 30 AEEERN Cc1ccnn1C[C@H](CS)C(C)C 87094838 572359567 /nfs/dbraw/zinc/35/95/67/572359567.db2.gz GGLQJHKFPLASMG-SNVBAGLBSA-N 0 0 198.335 2.394 10 30 AEEERN C[C@H](CCS)CCn1ccnc1 87091015 572359573 /nfs/dbraw/zinc/35/95/73/572359573.db2.gz PCJSBQDBPRVUDE-VIFPVBQESA-N 0 0 184.308 2.229 10 30 AEEERN CC[C@@H](CS)Cn1cc(C)cn1 87092659 572359589 /nfs/dbraw/zinc/35/95/89/572359589.db2.gz IKANPHLHPBLIAA-SECBINFHSA-N 0 0 184.308 2.148 10 30 AEEERN C=C[C@]1(CC=O)CCCC[C@H]1CCO 238659278 572359640 /nfs/dbraw/zinc/35/96/40/572359640.db2.gz OOLPIJNXZOFOND-NWDGAFQWSA-N 0 0 196.290 2.320 10 30 AEEERN Cc1cc(C)n(CCCCS)n1 87091179 572359692 /nfs/dbraw/zinc/35/96/92/572359692.db2.gz KXTJUYDPJGWRDN-UHFFFAOYSA-N 0 0 184.308 2.210 10 30 AEEERN C=C[C@H](O)CCCCCCCCO 238655815 572359700 /nfs/dbraw/zinc/35/97/00/572359700.db2.gz DMGFUAJQYZJWDR-NSHDSACASA-N 0 0 186.295 2.256 10 30 AEEERN C=C(C)C(CC=O)=C(C)C 140986836 572359808 /nfs/dbraw/zinc/35/98/08/572359808.db2.gz BCQKSRIIMQZGTF-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN CC#C[C@]1(O)CCC[C@H](CC)C1 307159954 572359811 /nfs/dbraw/zinc/35/98/11/572359811.db2.gz VLGDEKUAYTVJGX-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CCc1nccn1C[C@@H](CC)CS 87094675 572359812 /nfs/dbraw/zinc/35/98/12/572359812.db2.gz CTXQZDDGXAESIE-SECBINFHSA-N 0 0 198.335 2.402 10 30 AEEERN C=C[C@@H](CCO)Oc1ccccc1 238657357 572359841 /nfs/dbraw/zinc/35/98/41/572359841.db2.gz AOROCPYRBXEBCR-JTQLQIEISA-N 0 0 178.231 2.002 10 30 AEEERN C=CCOC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 393491438 572359843 /nfs/dbraw/zinc/35/98/43/572359843.db2.gz TTYTXKPGROAIBQ-DOFRTFSJSA-N 0 0 180.247 2.152 10 30 AEEERN Cc1nccn1CCCCCS 87091219 572359864 /nfs/dbraw/zinc/35/98/64/572359864.db2.gz SUWQHWGLMOLLAL-UHFFFAOYSA-N 0 0 184.308 2.292 10 30 AEEERN SCCCCCCn1ccnc1 87091029 572359918 /nfs/dbraw/zinc/35/99/18/572359918.db2.gz XFSHXFFBRDDOFZ-UHFFFAOYSA-N 0 0 184.308 2.373 10 30 AEEERN CC(C)(C)[C@@H](CS)Cn1ccnc1 87091054 572359965 /nfs/dbraw/zinc/35/99/65/572359965.db2.gz KGJQPKAOBUBLFL-SECBINFHSA-N 0 0 198.335 2.475 10 30 AEEERN C=C[C@@]1(CC=O)CCCC[C@@H]1CCO 238673541 572359969 /nfs/dbraw/zinc/35/99/69/572359969.db2.gz OOLPIJNXZOFOND-NEPJUHHUSA-N 0 0 196.290 2.320 10 30 AEEERN CC(C)(C)C(=O)CCCC#N 76589614 572360071 /nfs/dbraw/zinc/36/00/71/572360071.db2.gz SEWLOZFAUVIASZ-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN CCc1nccn1C[C@@H](C)CS 87094678 572360089 /nfs/dbraw/zinc/36/00/89/572360089.db2.gz KHYNCDMOPKHNHE-MRVPVSSYSA-N 0 0 184.308 2.011 10 30 AEEERN CC[C@@](C)(C#N)COCC1CC1 307997144 572360158 /nfs/dbraw/zinc/36/01/58/572360158.db2.gz CPQKQUAMVWOCPX-JTQLQIEISA-N 0 0 167.252 2.353 10 30 AEEERN CC(C)c1nccn1C/C=C/CS 87092028 572360161 /nfs/dbraw/zinc/36/01/61/572360161.db2.gz JCDYBAGGBYGBTE-ONEGZZNKSA-N 0 0 196.319 2.493 10 30 AEEERN CC[C@@H](CS)Cn1ccc(C)n1 87094938 572360177 /nfs/dbraw/zinc/36/01/77/572360177.db2.gz GXMHYWFIUGVIGE-SECBINFHSA-N 0 0 184.308 2.148 10 30 AEEERN CCc1nccn1C[C@H](C)CS 87094680 572360345 /nfs/dbraw/zinc/36/03/45/572360345.db2.gz KHYNCDMOPKHNHE-QMMMGPOBSA-N 0 0 184.308 2.011 10 30 AEEERN Cc1ncn(CCCCS)c1C 87092793 572360355 /nfs/dbraw/zinc/36/03/55/572360355.db2.gz MUVZQACYURFHQA-UHFFFAOYSA-N 0 0 184.308 2.210 10 30 AEEERN C=C1CCCC[C@H]1[C@H](O)CCCCO 238662920 572361313 /nfs/dbraw/zinc/36/13/13/572361313.db2.gz CMFUEQUCXLJDMN-VXGBXAGGSA-N 0 0 198.306 2.256 10 30 AEEERN Cc1ccn(CCCCCS)n1 87094909 572360420 /nfs/dbraw/zinc/36/04/20/572360420.db2.gz UPOQBEHUXWESLI-UHFFFAOYSA-N 0 0 184.308 2.292 10 30 AEEERN CC[C@@H](CS)Cn1nc(C)cc1C 87091194 572360447 /nfs/dbraw/zinc/36/04/47/572360447.db2.gz TZOVGQMILRIQKB-SNVBAGLBSA-N 0 0 198.335 2.456 10 30 AEEERN CC[C@@H](N[C@H](C)C#N)C(C)(C)C 307997163 572360473 /nfs/dbraw/zinc/36/04/73/572360473.db2.gz WYBRVWOMFYUJOZ-RKDXNWHRSA-N 0 0 168.284 2.313 10 30 AEEERN Cc1nccn1C[C@H](CS)C(C)C 87091207 572360500 /nfs/dbraw/zinc/36/05/00/572360500.db2.gz ZLNJKQSMALUBGO-SNVBAGLBSA-N 0 0 198.335 2.394 10 30 AEEERN CC(C)N(C/C=C/CS)CCC#N 87074926 572360535 /nfs/dbraw/zinc/36/05/35/572360535.db2.gz PXXCAYIMHXINJS-ONEGZZNKSA-N 0 0 198.335 2.096 10 30 AEEERN Cc1ccn(C[C@H](CS)C(C)C)n1 87094898 572360561 /nfs/dbraw/zinc/36/05/61/572360561.db2.gz TVXWGPZTGQXCAK-SNVBAGLBSA-N 0 0 198.335 2.394 10 30 AEEERN CC(C)[C@H](CS)Cn1ccnc1 87091004 572360564 /nfs/dbraw/zinc/36/05/64/572360564.db2.gz YABSYJMDSWAHGY-VIFPVBQESA-N 0 0 184.308 2.085 10 30 AEEERN SCCCCCCn1cccn1 87090922 572360575 /nfs/dbraw/zinc/36/05/75/572360575.db2.gz XYSYBHJCNBUXIO-UHFFFAOYSA-N 0 0 184.308 2.373 10 30 AEEERN CCC(CC)(CS)Cn1cncn1 87090985 572360588 /nfs/dbraw/zinc/36/05/88/572360588.db2.gz MJEFUJKVEMZREA-UHFFFAOYSA-N 0 0 199.323 2.014 10 30 AEEERN CC(C)[C@@H](CS)Cn1cccn1 87090896 572360593 /nfs/dbraw/zinc/36/05/93/572360593.db2.gz FUFWIKAVPKRAAX-SECBINFHSA-N 0 0 184.308 2.085 10 30 AEEERN Cc1nccn1C[C@@H](CS)C(C)C 87091206 572360632 /nfs/dbraw/zinc/36/06/32/572360632.db2.gz ZLNJKQSMALUBGO-JTQLQIEISA-N 0 0 198.335 2.394 10 30 AEEERN CC[C@H](N[C@@H](C)C#N)C(C)(C)C 307997161 572360638 /nfs/dbraw/zinc/36/06/38/572360638.db2.gz WYBRVWOMFYUJOZ-IUCAKERBSA-N 0 0 168.284 2.313 10 30 AEEERN O=C[C@@H]1CCCC[C@H]1CCCCO 238663558 572360645 /nfs/dbraw/zinc/36/06/45/572360645.db2.gz WTEQSLXRXVXSFI-QWRGUYRKSA-N 0 0 184.279 2.154 10 30 AEEERN C=C1CCCC[C@@H]1[C@H](O)CCCCO 238662951 572360665 /nfs/dbraw/zinc/36/06/65/572360665.db2.gz CMFUEQUCXLJDMN-NWDGAFQWSA-N 0 0 198.306 2.256 10 30 AEEERN Cc1ccnn1CCCCCS 87094849 572360682 /nfs/dbraw/zinc/36/06/82/572360682.db2.gz KSGNMULEABPNCI-UHFFFAOYSA-N 0 0 184.308 2.292 10 30 AEEERN CC[C@H](CS)Cn1nccc1C 87094879 572360720 /nfs/dbraw/zinc/36/07/20/572360720.db2.gz BYUBAYTUCWYFDI-VIFPVBQESA-N 0 0 184.308 2.148 10 30 AEEERN O=C[C@H]1CCCC[C@H]1CCCCO 238663532 572360733 /nfs/dbraw/zinc/36/07/33/572360733.db2.gz WTEQSLXRXVXSFI-WDEREUQCSA-N 0 0 184.279 2.154 10 30 AEEERN CC(C)(C)[C@H](CS)Cn1cccn1 87090941 572360848 /nfs/dbraw/zinc/36/08/48/572360848.db2.gz LPQHVDKPCHXCGU-VIFPVBQESA-N 0 0 198.335 2.475 10 30 AEEERN C[C@@H](CCS)CCn1cccn1 87090907 572360883 /nfs/dbraw/zinc/36/08/83/572360883.db2.gz KBIAGBKNDRIGSR-SECBINFHSA-N 0 0 184.308 2.229 10 30 AEEERN C#CCCC(=C)[C@@H](O)CCC=C 238663497 572360886 /nfs/dbraw/zinc/36/08/86/572360886.db2.gz XRRSVFJOKANBLV-NSHDSACASA-N 0 0 164.248 2.283 10 30 AEEERN C=C(C(F)(F)F)[C@]1(O)CC[C@H]1C 307174305 572360929 /nfs/dbraw/zinc/36/09/29/572360929.db2.gz TURHAMQZXBWAML-VDTYLAMSSA-N 0 0 180.169 2.266 10 30 AEEERN CC(C)[C@@H](CS)Cn1ccnc1 87091006 572360974 /nfs/dbraw/zinc/36/09/74/572360974.db2.gz YABSYJMDSWAHGY-SECBINFHSA-N 0 0 184.308 2.085 10 30 AEEERN CC[C@H](CS)Cn1ccnc1C 87091245 572360989 /nfs/dbraw/zinc/36/09/89/572360989.db2.gz UTNPBDABWRVSEF-VIFPVBQESA-N 0 0 184.308 2.148 10 30 AEEERN CCCc1nccn1CCCS 87093511 572360995 /nfs/dbraw/zinc/36/09/95/572360995.db2.gz CUZONFWJMXGLOD-UHFFFAOYSA-N 0 0 184.308 2.156 10 30 AEEERN CCc1nccn1CCCCS 87094663 572361166 /nfs/dbraw/zinc/36/11/66/572361166.db2.gz VEESJLTXJWIEBJ-UHFFFAOYSA-N 0 0 184.308 2.156 10 30 AEEERN Cc1ccnn1C[C@@H](CS)C(C)C 87094836 572361173 /nfs/dbraw/zinc/36/11/73/572361173.db2.gz GGLQJHKFPLASMG-JTQLQIEISA-N 0 0 198.335 2.394 10 30 AEEERN C#CC[C@@H](O)CC/C=C/CC 238220601 572361366 /nfs/dbraw/zinc/36/13/66/572361366.db2.gz PAHSYTXMQZJFAO-BRAIEQGRSA-N 0 0 152.237 2.117 10 30 AEEERN CC(C)(C#N)CCNCC(F)(F)F 83637964 572361534 /nfs/dbraw/zinc/36/15/34/572361534.db2.gz AJMXZJSUHRUTSR-UHFFFAOYSA-N 0 0 194.200 2.078 10 30 AEEERN C=C(CCCC)C(=O)NC(C)C 238220588 572361543 /nfs/dbraw/zinc/36/15/43/572361543.db2.gz VLDGFJQBWBUMHJ-UHFFFAOYSA-N 0 0 169.268 2.257 10 30 AEEERN CC[C@H](CS)CSCCOC 87097093 572361640 /nfs/dbraw/zinc/36/16/40/572361640.db2.gz HIATXZQGHJHXFC-MRVPVSSYSA-N 0 0 194.365 2.322 10 30 AEEERN C#C[C@@H](CC)Nc1ccn(C(C)C)n1 300934091 572361668 /nfs/dbraw/zinc/36/16/68/572361668.db2.gz WOKRPXXJYCMNCI-JTQLQIEISA-N 0 0 191.278 2.288 10 30 AEEERN COCCCSC/C=C/CS 87098304 572361764 /nfs/dbraw/zinc/36/17/64/572361764.db2.gz PINQNMRTWWLECP-NSCUHMNNSA-N 0 0 192.349 2.242 10 30 AEEERN C#CC[C@H](O)C(C)(C)C=C=CC 141006077 572363762 /nfs/dbraw/zinc/36/37/62/572363762.db2.gz SPKKLBPIAYWCEN-MHPPCMCBSA-N 0 0 164.248 2.128 10 30 AEEERN C=C1C[C@H](C2CCCCC2)O[C@H]1O 141031773 572361878 /nfs/dbraw/zinc/36/18/78/572361878.db2.gz UBRBXLWSLCVGMY-GHMZBOCLSA-N 0 0 182.263 2.230 10 30 AEEERN C#CC[C@@H](O)C(C)(C)C=C=CC 141005882 572362055 /nfs/dbraw/zinc/36/20/55/572362055.db2.gz SPKKLBPIAYWCEN-OMNKOJBGSA-N 0 0 164.248 2.128 10 30 AEEERN COCCSCC1(CS)CC1 87097081 572362073 /nfs/dbraw/zinc/36/20/73/572362073.db2.gz GQVXTHSMDXVSMS-UHFFFAOYSA-N 0 0 192.349 2.076 10 30 AEEERN CC(C)(C)SCCOCCS 87097095 572362180 /nfs/dbraw/zinc/36/21/80/572362180.db2.gz KXTUMZJRZLGQLS-UHFFFAOYSA-N 0 0 194.365 2.465 10 30 AEEERN SC/C=C/CSc1cnccn1 87098151 572362197 /nfs/dbraw/zinc/36/21/97/572362197.db2.gz WMIRYZWWFDUBTK-OWOJBTEDSA-N 0 0 198.316 2.055 10 30 AEEERN C=C[C@@H](CC)CC(C)=O 221731585 572362291 /nfs/dbraw/zinc/36/22/91/572362291.db2.gz DNYPXDFMGQNDEV-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN CCCCCNN=C1CCSC1 307998380 572362303 /nfs/dbraw/zinc/36/23/03/572362303.db2.gz XSXRMHLUMRBUIH-UHFFFAOYSA-N 0 0 186.324 2.259 10 30 AEEERN CC(C)(C#N)CCOC[C@@H]1CCCO1 83640589 572362346 /nfs/dbraw/zinc/36/23/46/572362346.db2.gz NANRDQDIVPUSPU-JTQLQIEISA-N 0 0 197.278 2.122 10 30 AEEERN COCCCSCCCCS 87098300 572362485 /nfs/dbraw/zinc/36/24/85/572362485.db2.gz VYXUWMIHERJVGM-UHFFFAOYSA-N 0 0 194.365 2.466 10 30 AEEERN C=C[C@@H](O)CCC(=O)c1ccccc1 238662411 572362514 /nfs/dbraw/zinc/36/25/14/572362514.db2.gz SOSUYQXUDPNESS-LLVKDONJSA-N 0 0 190.242 2.196 10 30 AEEERN C=CCOCCC(C)(C)C#N 83640598 572362521 /nfs/dbraw/zinc/36/25/21/572362521.db2.gz KPZILJYBJFIYNF-UHFFFAOYSA-N 0 0 153.225 2.129 10 30 AEEERN C=CCOC(=O)[C@H]1C[C@H]1CCC 307998732 572364030 /nfs/dbraw/zinc/36/40/30/572364030.db2.gz XVYXQBYELQXEGE-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCOc1ccc(F)cc1[C@H](C)O 87111744 572362549 /nfs/dbraw/zinc/36/25/49/572362549.db2.gz RVRLYZNCAXWDKO-QMMMGPOBSA-N 0 0 196.221 2.444 10 30 AEEERN CCCCN(CC)C(C)(C)C#N 307997303 572362615 /nfs/dbraw/zinc/36/26/15/572362615.db2.gz XBABBWVHSVQAKL-UHFFFAOYSA-N 0 0 168.284 2.411 10 30 AEEERN CC[C@@H](N[C@@H](C)C#N)C(C)(C)C 307997158 572362634 /nfs/dbraw/zinc/36/26/34/572362634.db2.gz WYBRVWOMFYUJOZ-DTWKUNHWSA-N 0 0 168.284 2.313 10 30 AEEERN CC[C@H](C)SCCOCCS 87097151 572362648 /nfs/dbraw/zinc/36/26/48/572362648.db2.gz MVPLDIOFTXOIQJ-QMMMGPOBSA-N 0 0 194.365 2.465 10 30 AEEERN CC[C@@H](C)SCCOCCS 87097150 572362742 /nfs/dbraw/zinc/36/27/42/572362742.db2.gz MVPLDIOFTXOIQJ-MRVPVSSYSA-N 0 0 194.365 2.465 10 30 AEEERN CC[C@H](N[C@H](C)C#N)C(C)(C)C 307997155 572362743 /nfs/dbraw/zinc/36/27/43/572362743.db2.gz WYBRVWOMFYUJOZ-BDAKNGLRSA-N 0 0 168.284 2.313 10 30 AEEERN CC(C)(C#N)CCOCC1CC1 83640593 572362885 /nfs/dbraw/zinc/36/28/85/572362885.db2.gz VFDGWZFTPYLSAQ-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN C[C@H]1CC(=O)C2=C1CCCCO2 141008820 572362933 /nfs/dbraw/zinc/36/29/33/572362933.db2.gz LGQDGHQRXJQFLE-ZETCQYMHSA-N 0 0 166.220 2.050 10 30 AEEERN CCCOCCC(C)(C)C#N 83640600 572362948 /nfs/dbraw/zinc/36/29/48/572362948.db2.gz DKHANWPBEUPZCE-UHFFFAOYSA-N 0 0 155.241 2.353 10 30 AEEERN CC[C@](C)(C#N)COCC1CC1 307997148 572363020 /nfs/dbraw/zinc/36/30/20/572363020.db2.gz CPQKQUAMVWOCPX-SNVBAGLBSA-N 0 0 167.252 2.353 10 30 AEEERN CC(C)OCCOCCC(C)(C)C#N 83640588 572363092 /nfs/dbraw/zinc/36/30/92/572363092.db2.gz MNXRBYVRVVMVCF-UHFFFAOYSA-N 0 0 199.294 2.368 10 30 AEEERN C=CCC1=C(C)C[C@H](O)C1 141026010 572363136 /nfs/dbraw/zinc/36/31/36/572363136.db2.gz MJIKVTCYRHTPPI-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN SC/C=C/CSc1ccncn1 87098251 572363159 /nfs/dbraw/zinc/36/31/59/572363159.db2.gz NWMTWFQDNPODOZ-OWOJBTEDSA-N 0 0 198.316 2.055 10 30 AEEERN C[C@@H]1CC(=O)C2=C1CCCCO2 141008616 572363193 /nfs/dbraw/zinc/36/31/93/572363193.db2.gz LGQDGHQRXJQFLE-SSDOTTSWSA-N 0 0 166.220 2.050 10 30 AEEERN CC(C)(C#N)CCOC1CCC1 83640610 572363547 /nfs/dbraw/zinc/36/35/47/572363547.db2.gz OXOBVEBCOIWBED-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN CC(C)(C#N)CCOC1CCOCC1 83640606 572363305 /nfs/dbraw/zinc/36/33/05/572363305.db2.gz MYHIFXKOWHLTTN-UHFFFAOYSA-N 0 0 197.278 2.122 10 30 AEEERN CCCOCCOCCC(C)(C)C#N 83640614 572363403 /nfs/dbraw/zinc/36/34/03/572363403.db2.gz AJQZFRSMUWATEF-UHFFFAOYSA-N 0 0 199.294 2.369 10 30 AEEERN C#Cc1ccccc1[C@H](O)CC=C 141017403 572363456 /nfs/dbraw/zinc/36/34/56/572363456.db2.gz HFFMHRIOLFYPHM-GFCCVEGCSA-N 0 0 172.227 2.277 10 30 AEEERN SC/C=C/CSc1ncccn1 87097561 572363564 /nfs/dbraw/zinc/36/35/64/572363564.db2.gz WNJQCZSZDHISCS-OWOJBTEDSA-N 0 0 198.316 2.055 10 30 AEEERN CC[C@@H](CS)CSCCOC 87097092 572363635 /nfs/dbraw/zinc/36/36/35/572363635.db2.gz HIATXZQGHJHXFC-QMMMGPOBSA-N 0 0 194.365 2.322 10 30 AEEERN C[C@]12CCC[C@@H](O)C1=CC[C@@H]2C#N 141024233 572363652 /nfs/dbraw/zinc/36/36/52/572363652.db2.gz WQNKZASYUOVHLX-FBIMIBRVSA-N 0 0 177.247 2.007 10 30 AEEERN CCC[C@@](C#N)(C1CC1)N(C)C 307999930 572363696 /nfs/dbraw/zinc/36/36/96/572363696.db2.gz GMLSABGUAORWGO-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN C=CCC1=C(C)C[C@@H](O)C1 141026194 572363770 /nfs/dbraw/zinc/36/37/70/572363770.db2.gz MJIKVTCYRHTPPI-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN CC(C)(C#N)CCOC[C@H]1CCCO1 83640590 572363779 /nfs/dbraw/zinc/36/37/79/572363779.db2.gz NANRDQDIVPUSPU-SNVBAGLBSA-N 0 0 197.278 2.122 10 30 AEEERN C=CCOc1ccc(F)cc1[C@@H](C)O 87111729 572363781 /nfs/dbraw/zinc/36/37/81/572363781.db2.gz RVRLYZNCAXWDKO-MRVPVSSYSA-N 0 0 196.221 2.444 10 30 AEEERN C#Cc1ccccc1[C@@H](O)CC=C 141017181 572363803 /nfs/dbraw/zinc/36/38/03/572363803.db2.gz HFFMHRIOLFYPHM-LBPRGKRZSA-N 0 0 172.227 2.277 10 30 AEEERN CCCN(CC#N)C[Si](C)(C)C 307998873 572363873 /nfs/dbraw/zinc/36/38/73/572363873.db2.gz YBGBICPJJUECNV-UHFFFAOYSA-N 0 0 184.359 2.099 10 30 AEEERN CC[C@@H](C)ON=Cc1ccoc1 307998915 572363897 /nfs/dbraw/zinc/36/38/97/572363897.db2.gz YCOOZFZWOPMHGN-MRVPVSSYSA-N 0 0 167.208 2.429 10 30 AEEERN C=CC[C@@](C)(C=C)C(C)=O 141010033 572363908 /nfs/dbraw/zinc/36/39/08/572363908.db2.gz BSTMXJIJIWYSHM-SECBINFHSA-N 0 0 138.210 2.344 10 30 AEEERN CCC[C@](C#N)(C1CC1)N(C)C 307999927 572363923 /nfs/dbraw/zinc/36/39/23/572363923.db2.gz GMLSABGUAORWGO-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN COCCCSC[C@@H](C)CS 87098297 572363973 /nfs/dbraw/zinc/36/39/73/572363973.db2.gz JBSRZMONMHNFRP-QMMMGPOBSA-N 0 0 194.365 2.322 10 30 AEEERN COCCSCCCCCS 87097066 572363991 /nfs/dbraw/zinc/36/39/91/572363991.db2.gz XYINGFSCAWYTLH-UHFFFAOYSA-N 0 0 194.365 2.466 10 30 AEEERN C#CCONCCCCCCC 308000193 572364015 /nfs/dbraw/zinc/36/40/15/572364015.db2.gz YXANCRKVEQGRHX-UHFFFAOYSA-N 0 0 169.268 2.111 10 30 AEEERN C=CCN(CC)c1ncc(C)s1 307999189 572364067 /nfs/dbraw/zinc/36/40/67/572364067.db2.gz YEBCZKPTTTZARI-UHFFFAOYSA-N 0 0 182.292 2.464 10 30 AEEERN C=C1C[C@H](C2CCCCC2)O[C@@H]1O 141031388 572364098 /nfs/dbraw/zinc/36/40/98/572364098.db2.gz UBRBXLWSLCVGMY-MNOVXSKESA-N 0 0 182.263 2.230 10 30 AEEERN C=C1C[C@@H](C2CCCCC2)O[C@H]1O 141031974 572364185 /nfs/dbraw/zinc/36/41/85/572364185.db2.gz UBRBXLWSLCVGMY-WDEREUQCSA-N 0 0 182.263 2.230 10 30 AEEERN C=CCSCc1cccc(N)n1 307999516 572364192 /nfs/dbraw/zinc/36/41/92/572364192.db2.gz FYIKYXAWDSGKEN-UHFFFAOYSA-N 0 0 180.276 2.083 10 30 AEEERN COCCSCC(C)(C)CS 87097061 572364196 /nfs/dbraw/zinc/36/41/96/572364196.db2.gz MBQMMRUUDBGKDB-UHFFFAOYSA-N 0 0 194.365 2.322 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]1CCC 307998734 572364246 /nfs/dbraw/zinc/36/42/46/572364246.db2.gz XVYXQBYELQXEGE-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 AEEERN CON=C(C)c1cccc(C)c1 388419699 572364255 /nfs/dbraw/zinc/36/42/55/572364255.db2.gz GYNHGCKTRIODLU-UHFFFAOYSA-N 0 0 163.220 2.365 10 30 AEEERN CC#C[C@@]1(O)CCC[C@@H](CC)C1 307159950 572364468 /nfs/dbraw/zinc/36/44/68/572364468.db2.gz VLGDEKUAYTVJGX-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN COCCCSC[C@H](C)CS 87098298 572364657 /nfs/dbraw/zinc/36/46/57/572364657.db2.gz JBSRZMONMHNFRP-MRVPVSSYSA-N 0 0 194.365 2.322 10 30 AEEERN O/N=C\c1cccc2ncccc12 44197723 572364790 /nfs/dbraw/zinc/36/47/90/572364790.db2.gz FZGJGGSWOPIIJA-GHXNOFRVSA-N 0 0 172.187 2.043 10 30 AEEERN C=CCOC(=O)[C@H]1C[C@@H]1CCC 307998735 572364803 /nfs/dbraw/zinc/36/48/03/572364803.db2.gz XVYXQBYELQXEGE-IUCAKERBSA-N 0 0 168.236 2.152 10 30 AEEERN C#CCC(=O)C(C1CC1)C1CC1 307998582 572365093 /nfs/dbraw/zinc/36/50/93/572365093.db2.gz FCRMOGXGSONUOW-UHFFFAOYSA-N 0 0 162.232 2.015 10 30 AEEERN CCCCC[C@@H]1OC(C)=CC1=O 238222591 572368586 /nfs/dbraw/zinc/36/85/86/572368586.db2.gz BGDBPDFRVGPASO-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN CC[C@@H](CS)COCC1CC1 87080254 572365378 /nfs/dbraw/zinc/36/53/78/572365378.db2.gz CERUMWZBIQAXMC-MRVPVSSYSA-N 0 0 174.309 2.369 10 30 AEEERN CCCCC[C@@H]1OCC[C@@H]1C=O 238222657 572371830 /nfs/dbraw/zinc/37/18/30/572371830.db2.gz RUSOQQUYENHRQM-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN CCCCCCCC[C@H](O)C#CCO 238220763 572365002 /nfs/dbraw/zinc/36/50/02/572365002.db2.gz BJKCIUFIBAKASO-LBPRGKRZSA-N 0 0 198.306 2.094 10 30 AEEERN C=C[C@H](C)[C@H](CC)O[C@@H](O)CC 307993961 572371995 /nfs/dbraw/zinc/37/19/95/572371995.db2.gz ZTDWLJGWLZWOQQ-LPEHRKFASA-N 0 0 172.268 2.332 10 30 AEEERN SC/C=C/COCc1ccco1 87079080 572365353 /nfs/dbraw/zinc/36/53/53/572365353.db2.gz RLXMOXFNMUZMSG-OWOJBTEDSA-N 0 0 184.260 2.282 10 30 AEEERN C=C[C@@H](CC)OC(=O)C1CCC1 307999211 572365398 /nfs/dbraw/zinc/36/53/98/572365398.db2.gz YFCNJVYPLVZEQC-VIFPVBQESA-N 0 0 168.236 2.294 10 30 AEEERN SCCOCCOc1ccccc1 87078532 572365434 /nfs/dbraw/zinc/36/54/34/572365434.db2.gz QFIBRXURBRPXDR-UHFFFAOYSA-N 0 0 198.287 2.012 10 30 AEEERN C[C@H](OCCCS)C(F)(F)F 87082936 572366834 /nfs/dbraw/zinc/36/68/34/572366834.db2.gz OFYMBAKUZTYLRD-YFKPBYRVSA-N 0 0 188.214 2.274 10 30 AEEERN CC(C)(CS)COCC1CC1 87080251 572365646 /nfs/dbraw/zinc/36/56/46/572365646.db2.gz ZEDILRWNGBMUCL-UHFFFAOYSA-N 0 0 174.309 2.369 10 30 AEEERN Fc1ccccc1COCCS 87081367 572365672 /nfs/dbraw/zinc/36/56/72/572365672.db2.gz GWCXMMLLAWMGEW-UHFFFAOYSA-N 0 0 186.251 2.272 10 30 AEEERN CC[C@@H](CS)COc1cccnc1 87081087 572365765 /nfs/dbraw/zinc/36/57/65/572365765.db2.gz TUGCOOCGRVTYSN-SECBINFHSA-N 0 0 197.303 2.416 10 30 AEEERN C[C@H](CS)COCc1ccco1 87079060 572365772 /nfs/dbraw/zinc/36/57/72/572365772.db2.gz VYCGBYHJTOTPPG-QMMMGPOBSA-N 0 0 186.276 2.362 10 30 AEEERN SCC1(COCC2CC2)CC1 87080243 572365793 /nfs/dbraw/zinc/36/57/93/572365793.db2.gz AFDYPVNCMSQUDT-UHFFFAOYSA-N 0 0 172.293 2.123 10 30 AEEERN CC[C@H](C)ON=Cc1ccoc1 307998918 572365815 /nfs/dbraw/zinc/36/58/15/572365815.db2.gz YCOOZFZWOPMHGN-QMMMGPOBSA-N 0 0 167.208 2.429 10 30 AEEERN CC[C@@](C)(C#N)CCCCCO 307995228 572371281 /nfs/dbraw/zinc/37/12/81/572371281.db2.gz BJZHSRASNMXHDB-SNVBAGLBSA-N 0 0 169.268 2.479 10 30 AEEERN C#CCOc1ccc(OC)c(C)c1 307182299 572365830 /nfs/dbraw/zinc/36/58/30/572365830.db2.gz NYFNJKYTHIERFK-UHFFFAOYSA-N 0 0 176.215 2.016 10 30 AEEERN C[C@@H](CS)COc1cccnc1 87081058 572365880 /nfs/dbraw/zinc/36/58/80/572365880.db2.gz OXPKIVXHUXMYBI-MRVPVSSYSA-N 0 0 183.276 2.026 10 30 AEEERN C[C@H](CS)COc1cccnc1 87081057 572365904 /nfs/dbraw/zinc/36/59/04/572365904.db2.gz OXPKIVXHUXMYBI-QMMMGPOBSA-N 0 0 183.276 2.026 10 30 AEEERN C=C[C@H](CC)OC(=O)C1CCC1 307999210 572365910 /nfs/dbraw/zinc/36/59/10/572365910.db2.gz YFCNJVYPLVZEQC-SECBINFHSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCOC[C@@H](CS)C(C)C 87078942 572365929 /nfs/dbraw/zinc/36/59/29/572365929.db2.gz QZIZLOCDUNZIMY-VIFPVBQESA-N 0 0 174.309 2.391 10 30 AEEERN CC(C)OCCOCCCCS 87079558 572365961 /nfs/dbraw/zinc/36/59/61/572365961.db2.gz AJBALDCURFSFAS-UHFFFAOYSA-N 0 0 192.324 2.138 10 30 AEEERN C[C@@H](OCCCS)C(F)(F)F 87082938 572366049 /nfs/dbraw/zinc/36/60/49/572366049.db2.gz OFYMBAKUZTYLRD-RXMQYKEDSA-N 0 0 188.214 2.274 10 30 AEEERN CCCCOCCOCCCS 87079864 572366093 /nfs/dbraw/zinc/36/60/93/572366093.db2.gz VPMYGFIDLXVGNJ-UHFFFAOYSA-N 0 0 192.324 2.140 10 30 AEEERN CCOCCOCCCCCS 87079153 572366135 /nfs/dbraw/zinc/36/61/35/572366135.db2.gz FLKJUBDVUZJUML-UHFFFAOYSA-N 0 0 192.324 2.140 10 30 AEEERN C=CCCCOC/C=C/CS 87082913 572366156 /nfs/dbraw/zinc/36/61/56/572366156.db2.gz JZDVBMABFCRLOY-AATRIKPKSA-N 0 0 172.293 2.455 10 30 AEEERN COCc1cccc(OCCS)c1 87081520 572366177 /nfs/dbraw/zinc/36/61/77/572366177.db2.gz UFOYZUFFABHLBI-UHFFFAOYSA-N 0 0 198.287 2.142 10 30 AEEERN COCCCOCCCCCS 87077749 572366214 /nfs/dbraw/zinc/36/62/14/572366214.db2.gz LZUGGSCMPSGPGO-UHFFFAOYSA-N 0 0 192.324 2.140 10 30 AEEERN N#CCc1ccc(OCCS)cc1 87078115 572366259 /nfs/dbraw/zinc/36/62/59/572366259.db2.gz HDTBKUZURIIRHA-UHFFFAOYSA-N 0 0 193.271 2.061 10 30 AEEERN COC[C@@H](C)OCCCCCS 87081194 572366268 /nfs/dbraw/zinc/36/62/68/572366268.db2.gz BCCFVNUJCZMGDZ-SECBINFHSA-N 0 0 192.324 2.138 10 30 AEEERN C=C1O[C@@H](C(C)C)OC1(C)C 39422897 572366273 /nfs/dbraw/zinc/36/62/73/572366273.db2.gz XAWJSGJMPDLBSM-MRVPVSSYSA-N 0 0 156.225 2.308 10 30 AEEERN CC[C@H](CS)COCC1CC1 87080253 572366296 /nfs/dbraw/zinc/36/62/96/572366296.db2.gz CERUMWZBIQAXMC-QMMMGPOBSA-N 0 0 174.309 2.369 10 30 AEEERN C[C@@H](CS)COCc1ccco1 87079061 572366403 /nfs/dbraw/zinc/36/64/03/572366403.db2.gz VYCGBYHJTOTPPG-MRVPVSSYSA-N 0 0 186.276 2.362 10 30 AEEERN C=CCOCC1(CS)CCC1 87078945 572366419 /nfs/dbraw/zinc/36/64/19/572366419.db2.gz BVTZUUNYVOFOQL-UHFFFAOYSA-N 0 0 172.293 2.289 10 30 AEEERN CC(C)(CS)COc1cccnc1 87081082 572366511 /nfs/dbraw/zinc/36/65/11/572366511.db2.gz XCBPHWDTTASPPD-UHFFFAOYSA-N 0 0 197.303 2.416 10 30 AEEERN C#C[C@@H](/C=C\C)[C@@H](O)C(C)(C)C 307993337 572369206 /nfs/dbraw/zinc/36/92/06/572369206.db2.gz ZEMYXGFEJWJTHO-BWAOMENWSA-N 0 0 166.264 2.219 10 30 AEEERN COc1cccc(COCCS)c1 87077788 572366610 /nfs/dbraw/zinc/36/66/10/572366610.db2.gz BVGRJAADFKDSHX-UHFFFAOYSA-N 0 0 198.287 2.142 10 30 AEEERN CCCCCOCCOCCS 87080534 572366651 /nfs/dbraw/zinc/36/66/51/572366651.db2.gz VWTKPYLLFOWASD-UHFFFAOYSA-N 0 0 192.324 2.140 10 30 AEEERN CCC(C)(C)OCCOCCS 87080045 572366685 /nfs/dbraw/zinc/36/66/85/572366685.db2.gz CSEHHHUBJIPPPH-UHFFFAOYSA-N 0 0 192.324 2.138 10 30 AEEERN FC(F)(F)COC/C=C/CS 87079054 572366769 /nfs/dbraw/zinc/36/67/69/572366769.db2.gz WBSGQOQCIDDXRV-OWOJBTEDSA-N 0 0 186.198 2.051 10 30 AEEERN CCCOCCOCCCCS 87081312 572366792 /nfs/dbraw/zinc/36/67/92/572366792.db2.gz NWFHTWJHZZLJER-UHFFFAOYSA-N 0 0 192.324 2.140 10 30 AEEERN SCCCCOc1cccnc1 87081059 572366801 /nfs/dbraw/zinc/36/68/01/572366801.db2.gz FAJDWVMQDDBUJH-UHFFFAOYSA-N 0 0 183.276 2.170 10 30 AEEERN C=CCCOCC1(CS)CC1 87077909 572366901 /nfs/dbraw/zinc/36/69/01/572366901.db2.gz RLWODFBAIBZBMH-UHFFFAOYSA-N 0 0 172.293 2.289 10 30 AEEERN CC(C)COCC1(CS)CC1 87079423 572366909 /nfs/dbraw/zinc/36/69/09/572366909.db2.gz DOUKGJDBQDUCEH-UHFFFAOYSA-N 0 0 174.309 2.369 10 30 AEEERN SCCCOCc1ccco1 87079063 572366926 /nfs/dbraw/zinc/36/69/26/572366926.db2.gz DRRMAJLQWYQGOM-UHFFFAOYSA-N 0 0 172.249 2.116 10 30 AEEERN C=CC[C@@H](C)[C@H](C)CCO 307184342 572366991 /nfs/dbraw/zinc/36/69/91/572366991.db2.gz QOCJFORRTDMITC-RKDXNWHRSA-N 0 0 142.242 2.217 10 30 AEEERN SCCOCCc1cccs1 87082250 572367030 /nfs/dbraw/zinc/36/70/30/572367030.db2.gz FGNUTCRBXIPFQT-UHFFFAOYSA-N 0 0 188.317 2.237 10 30 AEEERN CCCCC=NN[C@@H](C)CC#N 307992906 572367057 /nfs/dbraw/zinc/36/70/57/572367057.db2.gz UVKCYPSURVYPPN-VIFPVBQESA-N 0 0 167.256 2.054 10 30 AEEERN COC[C@H](C)OCCCCCS 87081192 572367137 /nfs/dbraw/zinc/36/71/37/572367137.db2.gz BCCFVNUJCZMGDZ-VIFPVBQESA-N 0 0 192.324 2.138 10 30 AEEERN C=CCOC[C@H](CS)C(C)C 87078943 572367210 /nfs/dbraw/zinc/36/72/10/572367210.db2.gz QZIZLOCDUNZIMY-SECBINFHSA-N 0 0 174.309 2.391 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1C=CCCC1 307149743 572367216 /nfs/dbraw/zinc/36/72/16/572367216.db2.gz RVKPDKXZNLLEAR-VHSXEESVSA-N 0 0 179.263 2.033 10 30 AEEERN C=CCCC[C@H](O)[C@@H]1CCCOC1 83720722 572373705 /nfs/dbraw/zinc/37/37/05/572373705.db2.gz MJYNKFONTBFHBX-MNOVXSKESA-N 0 0 184.279 2.130 10 30 AEEERN CC[C@H](CS)COc1cccnc1 87081086 572367274 /nfs/dbraw/zinc/36/72/74/572367274.db2.gz TUGCOOCGRVTYSN-VIFPVBQESA-N 0 0 197.303 2.416 10 30 AEEERN C=CCCN(CCC(C)C)OC 307992787 572367323 /nfs/dbraw/zinc/36/73/23/572367323.db2.gz UQOAIOAWYAIXTE-UHFFFAOYSA-N 0 0 171.284 2.472 10 30 AEEERN COC[C@H](CS)c1ccccc1 87079100 572367435 /nfs/dbraw/zinc/36/74/35/572367435.db2.gz YFQWCTYFNQSDTL-SNVBAGLBSA-N 0 0 182.288 2.346 10 30 AEEERN C[C@@H](CS)COCC(F)(F)F 87079033 572367510 /nfs/dbraw/zinc/36/75/10/572367510.db2.gz YVTQLGCLYAPCBA-RXMQYKEDSA-N 0 0 188.214 2.131 10 30 AEEERN C/C=C/COCC1(CS)CC1 87080808 572367521 /nfs/dbraw/zinc/36/75/21/572367521.db2.gz RQIIRGDGHZSIEJ-NSCUHMNNSA-N 0 0 172.293 2.289 10 30 AEEERN C=CCN(CC)c1ccccn1 307992525 572367566 /nfs/dbraw/zinc/36/75/66/572367566.db2.gz UKLDMHTUPRJUJH-UHFFFAOYSA-N 0 0 162.236 2.094 10 30 AEEERN N#Cc1ccccc1OCCCS 87078901 572367589 /nfs/dbraw/zinc/36/75/89/572367589.db2.gz RTDLKORFCCTCGP-UHFFFAOYSA-N 0 0 193.271 2.257 10 30 AEEERN N#Cc1cccc(OCCCS)c1 87078849 572367638 /nfs/dbraw/zinc/36/76/38/572367638.db2.gz HSRICBHJHBWWBU-UHFFFAOYSA-N 0 0 193.271 2.257 10 30 AEEERN FC(F)(F)COCCCCS 87079034 572367793 /nfs/dbraw/zinc/36/77/93/572367793.db2.gz YDMULGKAFCQJHJ-UHFFFAOYSA-N 0 0 188.214 2.275 10 30 AEEERN COC[C@@H](CS)c1ccccc1 87079099 572367828 /nfs/dbraw/zinc/36/78/28/572367828.db2.gz YFQWCTYFNQSDTL-JTQLQIEISA-N 0 0 182.288 2.346 10 30 AEEERN COc1ccc(COCCS)cc1 87080265 572367838 /nfs/dbraw/zinc/36/78/38/572367838.db2.gz BVHBJWLACRNBNA-UHFFFAOYSA-N 0 0 198.287 2.142 10 30 AEEERN SCC1(COc2cccnc2)CC1 87081072 572367857 /nfs/dbraw/zinc/36/78/57/572367857.db2.gz OAGKJURCUCRVQC-UHFFFAOYSA-N 0 0 195.287 2.170 10 30 AEEERN COCCOCCCCCCS 87079401 572367871 /nfs/dbraw/zinc/36/78/71/572367871.db2.gz HDIYHXWOFPTHMP-UHFFFAOYSA-N 0 0 192.324 2.140 10 30 AEEERN C#CCONC(CCC)CCC 307992526 572367920 /nfs/dbraw/zinc/36/79/20/572367920.db2.gz UKMCFDQWWWDUED-UHFFFAOYSA-N 0 0 169.268 2.110 10 30 AEEERN N#Cc1ccc(OCCCS)cc1 87078561 572367955 /nfs/dbraw/zinc/36/79/55/572367955.db2.gz FEQFTECIWKECGC-UHFFFAOYSA-N 0 0 193.271 2.257 10 30 AEEERN C=C(Cl)CN(C)[C@H]1CC1(C)C 307181342 572367976 /nfs/dbraw/zinc/36/79/76/572367976.db2.gz MOMYYCQFUZUNCJ-QMMMGPOBSA-N 0 0 173.687 2.469 10 30 AEEERN C#C/C(C)=C/C=C/C(C)=C\CO 307992648 572368081 /nfs/dbraw/zinc/36/80/81/572368081.db2.gz YDMOCAGFZVVVDB-MWVRAIBCSA-N 0 0 162.232 2.061 10 30 AEEERN C=C(C)CNN=CCCSCC 307993749 572368126 /nfs/dbraw/zinc/36/81/26/572368126.db2.gz VEEOZGDKCYKSNG-UHFFFAOYSA-N 0 0 186.324 2.281 10 30 AEEERN C=C(C)CCNc1ncc(N)s1 307150305 572368133 /nfs/dbraw/zinc/36/81/33/572368133.db2.gz UBRJLWWYNBBGLD-UHFFFAOYSA-N 0 0 183.280 2.103 10 30 AEEERN C#C/C(C)=C/C=C/C(C)=C/CO 307992647 572368153 /nfs/dbraw/zinc/36/81/53/572368153.db2.gz YDMOCAGFZVVVDB-FUIMHKSZSA-N 0 0 162.232 2.061 10 30 AEEERN CCCCC=NN[C@H](C)CC#N 307992904 572368326 /nfs/dbraw/zinc/36/83/26/572368326.db2.gz UVKCYPSURVYPPN-SECBINFHSA-N 0 0 167.256 2.054 10 30 AEEERN C[Si](C)(C)C/C=C\C#CCCO 307992642 572368444 /nfs/dbraw/zinc/36/84/44/572368444.db2.gz YCBJVOKEJZRKLC-VURMDHGXSA-N 0 0 182.339 2.267 10 30 AEEERN O[C@H](C#Cc1ccoc1)c1ccccc1 238673443 572374948 /nfs/dbraw/zinc/37/49/48/572374948.db2.gz JLBNVAAPHRVXEG-CYBMUJFWSA-N 0 0 198.221 2.365 10 30 AEEERN C=C1C[C@@H]2CCCC[C@@H]2[C@@H]1O 307171324 572368605 /nfs/dbraw/zinc/36/86/05/572368605.db2.gz BEYGNECGMVADJU-LPEHRKFASA-N 0 0 152.237 2.114 10 30 AEEERN C#C[C@H]1[C@H](O)CC[C@@H]2CCCC[C@H]21 307100189 572368667 /nfs/dbraw/zinc/36/86/67/572368667.db2.gz XPDRZHLTTXMQMC-IRCOFANPSA-N 0 0 178.275 2.197 10 30 AEEERN C=CCC1=C(CC)C[C@H](O)C1 141090953 572368675 /nfs/dbraw/zinc/36/86/75/572368675.db2.gz ZMROUHHEKXGGBI-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN C#CC[C@@]12CCCC1=C[C@H](O)CC2 307179170 572368715 /nfs/dbraw/zinc/36/87/15/572368715.db2.gz IBMNQWCZKNURIZ-NEPJUHHUSA-N 0 0 176.259 2.261 10 30 AEEERN C=C1C[C@@H]2C(=O)CC[C@@H]2[C@H]1C 307134736 572368864 /nfs/dbraw/zinc/36/88/64/572368864.db2.gz ACXFTHINQIURNV-YIZRAAEISA-N 0 0 150.221 2.178 10 30 AEEERN C#CCC[C@H](O)c1cnc(C)cc1C 307122836 572369393 /nfs/dbraw/zinc/36/93/93/572369393.db2.gz MXWSJHJFDDBWLB-LBPRGKRZSA-N 0 0 189.258 2.145 10 30 AEEERN CCCCCCC[NH+]=CNCC#N 238222544 572369396 /nfs/dbraw/zinc/36/93/96/572369396.db2.gz KUGULUKRXWLXML-UHFFFAOYSA-N 0 0 181.283 2.098 10 30 AEEERN C=CCNN=C(CCC)C1CC1 307995288 572371952 /nfs/dbraw/zinc/37/19/52/572371952.db2.gz VXIOZCFPAMHEFV-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCCC[C@H](O)C1CCOCC1 83719227 572369548 /nfs/dbraw/zinc/36/95/48/572369548.db2.gz ZBNHWDNQXDDXOJ-NSHDSACASA-N 0 0 184.279 2.130 10 30 AEEERN C=CCCC[C@@H](O)C1CCOCC1 83719229 572369915 /nfs/dbraw/zinc/36/99/15/572369915.db2.gz ZBNHWDNQXDDXOJ-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN C[C@H](C#N)OCCSC(C)(C)C 307995144 572370067 /nfs/dbraw/zinc/37/00/67/572370067.db2.gz AXOGSOXRQSFFCW-MRVPVSSYSA-N 0 0 187.308 2.447 10 30 AEEERN CCCCOCC(Cl)(Cl)C=O 238222485 572370265 /nfs/dbraw/zinc/37/02/65/572370265.db2.gz NUELHCHUIURALR-UHFFFAOYSA-N 0 0 199.077 2.176 10 30 AEEERN CC[C@@H](C#N)NCCC=C(C)C 307995319 572370309 /nfs/dbraw/zinc/37/03/09/572370309.db2.gz VZFPFZBRRZCCBT-JTQLQIEISA-N 0 0 166.268 2.234 10 30 AEEERN C=CCCC[C@@H](C=C)OCCCO 238673194 572370329 /nfs/dbraw/zinc/37/03/29/572370329.db2.gz OARUXHGCIGWITJ-LLVKDONJSA-N 0 0 184.279 2.296 10 30 AEEERN CC[C@H](C#N)NCCC=C(C)C 307995320 572370533 /nfs/dbraw/zinc/37/05/33/572370533.db2.gz VZFPFZBRRZCCBT-SNVBAGLBSA-N 0 0 166.268 2.234 10 30 AEEERN C=CCC1=C(CC)C[C@@H](O)C1 141091140 572370661 /nfs/dbraw/zinc/37/06/61/572370661.db2.gz ZMROUHHEKXGGBI-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCOC(=O)NC(C)(C)CC 307994435 572370709 /nfs/dbraw/zinc/37/07/09/572370709.db2.gz AXUOMOGAAXHOFC-UHFFFAOYSA-N 0 0 171.240 2.087 10 30 AEEERN C=CCCCNC(=O)OC(C)C 308003907 572376700 /nfs/dbraw/zinc/37/67/00/572376700.db2.gz JVNZJEGAYPTUGH-UHFFFAOYSA-N 0 0 171.240 2.087 10 30 AEEERN C=C(Cl)COC(=O)[C@@H]1CC1(C)C 307995001 572370939 /nfs/dbraw/zinc/37/09/39/572370939.db2.gz BBYZNBFHIYKJRO-ZETCQYMHSA-N 0 0 188.654 2.328 10 30 AEEERN C=C[C@H](CC)OC(=O)CC1CC1 307994795 572370999 /nfs/dbraw/zinc/37/09/99/572370999.db2.gz VRLPLQJHOBOXQW-SECBINFHSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCCC(=O)O[C@H](C=C)CC 307994532 572371065 /nfs/dbraw/zinc/37/10/65/572371065.db2.gz VOFWMMFBBLLULU-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC(=O)[C@@H](C)CC(C)C 141090651 572371150 /nfs/dbraw/zinc/37/11/50/572371150.db2.gz QWHDETLSHDNSFZ-QMMMGPOBSA-N 0 0 140.226 2.424 10 30 AEEERN C=C[C@H](C)[C@H](CC)O[C@H](O)CC 307993958 572371164 /nfs/dbraw/zinc/37/11/64/572371164.db2.gz ZTDWLJGWLZWOQQ-GUBZILKMSA-N 0 0 172.268 2.332 10 30 AEEERN C=CCCCC(=O)C1CCOCC1 83719221 572371191 /nfs/dbraw/zinc/37/11/91/572371191.db2.gz DINLWHBZOQIPRT-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN C=C[C@@H](C)[C@H](CC)O[C@H](O)CC 307993962 572371193 /nfs/dbraw/zinc/37/11/93/572371193.db2.gz ZTDWLJGWLZWOQQ-UTLUCORTSA-N 0 0 172.268 2.332 10 30 AEEERN C=CC(=O)[C@](C)(O)CCCCC 238224175 572376713 /nfs/dbraw/zinc/37/67/13/572376713.db2.gz LVYDYUWSYOOJCP-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN C=C[C@@H](CC)OC(=O)CC1CC1 307994796 572371252 /nfs/dbraw/zinc/37/12/52/572371252.db2.gz VRLPLQJHOBOXQW-VIFPVBQESA-N 0 0 168.236 2.294 10 30 AEEERN C=CCCC(=O)O[C@@H](C=C)CC 307994533 572371389 /nfs/dbraw/zinc/37/13/89/572371389.db2.gz VOFWMMFBBLLULU-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN CCCCC[C@@H]1OCC[C@H]1C=O 238222688 572371412 /nfs/dbraw/zinc/37/14/12/572371412.db2.gz RUSOQQUYENHRQM-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN CC/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C=O 238221983 572371787 /nfs/dbraw/zinc/37/17/87/572371787.db2.gz DDJVLDDOLBYNEQ-FQNVXPIYSA-N 0 0 198.262 2.062 10 30 AEEERN C[C@@H](C#N)OCCSC(C)(C)C 307995145 572371926 /nfs/dbraw/zinc/37/19/26/572371926.db2.gz AXOGSOXRQSFFCW-QMMMGPOBSA-N 0 0 187.308 2.447 10 30 AEEERN C=CCCC[C@@H](O)[C@@H]1CCCOC1 83720724 572371972 /nfs/dbraw/zinc/37/19/72/572371972.db2.gz MJYNKFONTBFHBX-GHMZBOCLSA-N 0 0 184.279 2.130 10 30 AEEERN C=C[C@@H](C)[C@H](CC)O[C@@H](O)CC 307993959 572372055 /nfs/dbraw/zinc/37/20/55/572372055.db2.gz ZTDWLJGWLZWOQQ-KXUCPTDWSA-N 0 0 172.268 2.332 10 30 AEEERN C#CC[C@@H](CCCCCC)OC(N)=O 238221039 572372114 /nfs/dbraw/zinc/37/21/14/572372114.db2.gz AALMJWHQJIZMGG-JTQLQIEISA-N 0 0 197.278 2.444 10 30 AEEERN COC[C@H](C#N)SCC=C(C)C 308003228 572376736 /nfs/dbraw/zinc/37/67/36/572376736.db2.gz CIFDPWBIWXMELS-VIFPVBQESA-N 0 0 185.292 2.224 10 30 AEEERN CCCc1nnc(SCC#N)s1 307995272 572372163 /nfs/dbraw/zinc/37/21/63/572372163.db2.gz VWPAMUFHUFIUOS-UHFFFAOYSA-N 0 0 199.304 2.106 10 30 AEEERN C=C[C@H](C)[NH2+]CC[C@@H](C)CCC(=O)[O-] 83682164 572372237 /nfs/dbraw/zinc/37/22/37/572372237.db2.gz LTLOUQVXTRCMPZ-UWVGGRQHSA-N 0 0 199.294 2.042 10 30 AEEERN C=CC[C@](C)(C=C)[C@@H](C)O 141038887 572373607 /nfs/dbraw/zinc/37/36/07/572373607.db2.gz MEOIMSJKJUSFID-BDAKNGLRSA-N 0 0 140.226 2.136 10 30 AEEERN C#CC[C@@](O)(CC)C1CCCC1 307164603 572372429 /nfs/dbraw/zinc/37/24/29/572372429.db2.gz MKYCIQWKZZUAHG-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@H]1CC[C@H](C#CC(=O)OC)CC1 307108731 572372612 /nfs/dbraw/zinc/37/26/12/572372612.db2.gz BILIMPYKTIAGOV-XYPYZODXSA-N 0 0 194.274 2.379 10 30 AEEERN CCCCOC1=CC[C@@H](C)C1=O 238222039 572372614 /nfs/dbraw/zinc/37/26/14/572372614.db2.gz GTDIMHCHFKASPA-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN CCCCOC1=C(C)C(=O)[C@H]1C 238221991 572372750 /nfs/dbraw/zinc/37/27/50/572372750.db2.gz GYQQFRLDLGDSAS-SSDOTTSWSA-N 0 0 168.236 2.296 10 30 AEEERN C=CC[C@]1(C=C)CCCC1=O 141039068 572372908 /nfs/dbraw/zinc/37/29/08/572372908.db2.gz IWBQDKQIZJCRQQ-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[NH2+][C@H](C)CCC[C@H](C)C(=O)[O-] 83682325 572373100 /nfs/dbraw/zinc/37/31/00/572373100.db2.gz CVLBYDNARAIUJO-VHSXEESVSA-N 0 0 199.294 2.042 10 30 AEEERN C=CCCCC(=O)[C@@H]1CCCOC1 83720705 572373244 /nfs/dbraw/zinc/37/32/44/572373244.db2.gz FWZMMSCKXBPBJR-SNVBAGLBSA-N 0 0 182.263 2.338 10 30 AEEERN C=CC[C@@](C)(C=C)[C@@H](C)O 141038501 572373507 /nfs/dbraw/zinc/37/35/07/572373507.db2.gz MEOIMSJKJUSFID-RKDXNWHRSA-N 0 0 140.226 2.136 10 30 AEEERN CCCNN=C[C@H]1CCCSC1 307995845 572373518 /nfs/dbraw/zinc/37/35/18/572373518.db2.gz WGJGYZUDCFOQGU-SECBINFHSA-N 0 0 186.324 2.115 10 30 AEEERN C=CCCC[C@H](C=C)OCCCO 238673463 572373552 /nfs/dbraw/zinc/37/35/52/572373552.db2.gz OARUXHGCIGWITJ-NSHDSACASA-N 0 0 184.279 2.296 10 30 AEEERN C=CCC[NH2+]CC[C@H](C)CCC(=O)[O-] 83682013 572373604 /nfs/dbraw/zinc/37/36/04/572373604.db2.gz NVYKWPUDIFRGNK-SNVBAGLBSA-N 0 0 199.294 2.043 10 30 AEEERN CCO[C@@H](C#N)C1(SC)CCC1 307996008 572373636 /nfs/dbraw/zinc/37/36/36/572373636.db2.gz BZZHOARQGHEIJM-QMMMGPOBSA-N 0 0 185.292 2.201 10 30 AEEERN C=CCCCC(=O)[C@H]1CCCOC1 83720707 572373715 /nfs/dbraw/zinc/37/37/15/572373715.db2.gz FWZMMSCKXBPBJR-JTQLQIEISA-N 0 0 182.263 2.338 10 30 AEEERN CO[C@H](C#N)C(C(C)C)C(C)C 307995971 572373737 /nfs/dbraw/zinc/37/37/37/572373737.db2.gz BVLUFTVGPWYLDZ-SECBINFHSA-N 0 0 169.268 2.453 10 30 AEEERN CC/C=C/C[C@@H]1O[C@@H]1CC[C@@H](C)O 238222000 572373879 /nfs/dbraw/zinc/37/38/79/572373879.db2.gz JDKRUWVKXPKNNF-OXMQDWPZSA-N 0 0 184.279 2.271 10 30 AEEERN C=CCC[NH2+]CC[C@@H](C)CCC(=O)[O-] 83682012 572373866 /nfs/dbraw/zinc/37/38/66/572373866.db2.gz NVYKWPUDIFRGNK-JTQLQIEISA-N 0 0 199.294 2.043 10 30 AEEERN CCCCC(=O)C1=C(NO)CCC1 238222697 572373794 /nfs/dbraw/zinc/37/37/94/572373794.db2.gz URESQSXCCNFRSO-UHFFFAOYSA-N 0 0 183.251 2.163 10 30 AEEERN CCCCOC1=C(C)C(=O)[C@@H]1C 238221980 572374245 /nfs/dbraw/zinc/37/42/45/572374245.db2.gz GYQQFRLDLGDSAS-ZETCQYMHSA-N 0 0 168.236 2.296 10 30 AEEERN CCCNN=C[C@@H]1CCCSC1 307995846 572374457 /nfs/dbraw/zinc/37/44/57/572374457.db2.gz WGJGYZUDCFOQGU-VIFPVBQESA-N 0 0 186.324 2.115 10 30 AEEERN CCCCOC1=CC[C@H](C)C1=O 238222047 572374530 /nfs/dbraw/zinc/37/45/30/572374530.db2.gz GTDIMHCHFKASPA-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN C=C(C)CCNc1cnc(C)c(C)n1 307151984 572374543 /nfs/dbraw/zinc/37/45/43/572374543.db2.gz WTPHQCHHVVASOQ-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=C[C@H](C)[NH2+]CC[C@H](C)CCC(=O)[O-] 83682165 572374617 /nfs/dbraw/zinc/37/46/17/572374617.db2.gz LTLOUQVXTRCMPZ-ZJUUUORDSA-N 0 0 199.294 2.042 10 30 AEEERN C=CC[NH2+][C@H](C)CCC[C@@H](C)C(=O)[O-] 83682326 572374623 /nfs/dbraw/zinc/37/46/23/572374623.db2.gz CVLBYDNARAIUJO-NXEZZACHSA-N 0 0 199.294 2.042 10 30 AEEERN C=CC[C@@](C)(C=C)[C@H](C)O 141038326 572374772 /nfs/dbraw/zinc/37/47/72/572374772.db2.gz MEOIMSJKJUSFID-DTWKUNHWSA-N 0 0 140.226 2.136 10 30 AEEERN C=CC[NH2+]CCC(C)(C)CCC(=O)[O-] 83682211 572374804 /nfs/dbraw/zinc/37/48/04/572374804.db2.gz UPCCTCCRVNBIKH-UHFFFAOYSA-N 0 0 199.294 2.043 10 30 AEEERN C=CC[C@@]1(C=C)CCCC1=O 141039281 572374927 /nfs/dbraw/zinc/37/49/27/572374927.db2.gz IWBQDKQIZJCRQQ-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)[C@@H](NN)c1csc(C)c1C 307134157 572374988 /nfs/dbraw/zinc/37/49/88/572374988.db2.gz NPHJADODVMBKRY-SNVBAGLBSA-N 0 0 196.319 2.445 10 30 AEEERN CCCCOC(C)(C)CC=O 238221793 572375121 /nfs/dbraw/zinc/37/51/21/572375121.db2.gz OYSNBTXTUNKYLL-UHFFFAOYSA-N 0 0 158.241 2.171 10 30 AEEERN COCCCC=NOC/C=C/Cl 307995358 572375170 /nfs/dbraw/zinc/37/51/70/572375170.db2.gz WBXNPVHEDQVXPY-FEFHQRAASA-N 0 0 191.658 2.168 10 30 AEEERN C=CC[C@](C)(C=C)[C@H](C)O 141038683 572375175 /nfs/dbraw/zinc/37/51/75/572375175.db2.gz MEOIMSJKJUSFID-IUCAKERBSA-N 0 0 140.226 2.136 10 30 AEEERN C=CCCC(=O)OCCSCC 308002526 572375209 /nfs/dbraw/zinc/37/52/09/572375209.db2.gz AUDCEPHMMBFQCP-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C=C[C@]1(CC=O)CCCC[C@@H]1CCO 238673486 572375469 /nfs/dbraw/zinc/37/54/69/572375469.db2.gz OOLPIJNXZOFOND-VXGBXAGGSA-N 0 0 196.290 2.320 10 30 AEEERN CCO[C@H](C#N)C1(SC)CCC1 307996007 572375594 /nfs/dbraw/zinc/37/55/94/572375594.db2.gz BZZHOARQGHEIJM-MRVPVSSYSA-N 0 0 185.292 2.201 10 30 AEEERN CC[C@@H](C)CC(C#N)C#N 44250318 572375697 /nfs/dbraw/zinc/37/56/97/572375697.db2.gz VZCFAXMVRIONBF-SSDOTTSWSA-N 0 0 136.198 2.086 10 30 AEEERN CN[C@](C)(C#N)CCC(C)(C)C 307996539 572375811 /nfs/dbraw/zinc/37/58/11/572375811.db2.gz CDUULOJZMMUMKB-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN COCCCC=NOC/C=C\Cl 307995357 572375832 /nfs/dbraw/zinc/37/58/32/572375832.db2.gz WBXNPVHEDQVXPY-FDCSGBFTSA-N 0 0 191.658 2.168 10 30 AEEERN CN[C@@](C)(C#N)CCC(C)(C)C 307996540 572375898 /nfs/dbraw/zinc/37/58/98/572375898.db2.gz CDUULOJZMMUMKB-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN CO[C@@H](C#N)C(C(C)C)C(C)C 307995972 572376117 /nfs/dbraw/zinc/37/61/17/572376117.db2.gz BVLUFTVGPWYLDZ-VIFPVBQESA-N 0 0 169.268 2.453 10 30 AEEERN CCCC/C=C/C#CC(C)=O 307136228 572376151 /nfs/dbraw/zinc/37/61/51/572376151.db2.gz TZRBSWIBGGOCKS-VOTSOKGWSA-N 0 0 150.221 2.325 10 30 AEEERN CCC(CC)CC(C#N)C#N 44250322 572376174 /nfs/dbraw/zinc/37/61/74/572376174.db2.gz IOOFLILOKKHZSL-UHFFFAOYSA-N 0 0 150.225 2.476 10 30 AEEERN C#CC[C@@H](O)[C@@H](C)CC(C)C 300983760 572376231 /nfs/dbraw/zinc/37/62/31/572376231.db2.gz UPWNCTFMNHLNDT-VHSXEESVSA-N 0 0 154.253 2.053 10 30 AEEERN Cc1ncccc1OC[C@H](C)CS 87155228 572376244 /nfs/dbraw/zinc/37/62/44/572376244.db2.gz OZZXSLYOQFLBKO-QMMMGPOBSA-N 0 0 197.303 2.335 10 30 AEEERN C=C1C[C@]1(CCO)[Si](C)(C)C 196765778 572376358 /nfs/dbraw/zinc/37/63/58/572376358.db2.gz GHDAXJVSGIJFDU-VIFPVBQESA-N 0 0 170.328 2.407 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@@H]1CO 306464332 572376547 /nfs/dbraw/zinc/37/65/47/572376547.db2.gz MJJQXHAJOZSAFP-GUBZILKMSA-N 0 0 154.253 2.217 10 30 AEEERN C=C[C@@H](O)c1sccc1F 307126296 572376596 /nfs/dbraw/zinc/37/65/96/572376596.db2.gz CQBPUAXVVGXHHK-ZCFIWIBFSA-N 0 0 158.197 2.107 10 30 AEEERN C=CC[C@@]1(C(C)(C)C)C(=O)NC1=S 196772308 572376605 /nfs/dbraw/zinc/37/66/05/572376605.db2.gz UEEPKEVSPDESCX-SNVBAGLBSA-N 0 0 197.303 2.052 10 30 AEEERN C=CCCC1(O)Cc2ccccc2C1 307190968 572376624 /nfs/dbraw/zinc/37/66/24/572376624.db2.gz AEEODXWCYLJUFC-UHFFFAOYSA-N 0 0 188.270 2.483 10 30 AEEERN CCN[C@@H](C#N)[C@H](C)C(C)(C)C 308003509 572376779 /nfs/dbraw/zinc/37/67/79/572376779.db2.gz JNOQNUBXXLFTOX-IUCAKERBSA-N 0 0 168.284 2.170 10 30 AEEERN Cc1ncccc1OC[C@@H](C)CS 87155226 572376971 /nfs/dbraw/zinc/37/69/71/572376971.db2.gz OZZXSLYOQFLBKO-MRVPVSSYSA-N 0 0 197.303 2.335 10 30 AEEERN C=CC(=O)[C@@H](O)CCCCCC 238223850 572377174 /nfs/dbraw/zinc/37/71/74/572377174.db2.gz HYWJJAQLPWNLRC-JTQLQIEISA-N 0 0 170.252 2.073 10 30 AEEERN C=CC[C@]1(C(C)(C)C)C(=O)NC1=S 196772324 572377207 /nfs/dbraw/zinc/37/72/07/572377207.db2.gz UEEPKEVSPDESCX-JTQLQIEISA-N 0 0 197.303 2.052 10 30 AEEERN CCC=C=CC(=O)C(C)(C)C 196767540 572377268 /nfs/dbraw/zinc/37/72/68/572377268.db2.gz NCBJHRBQIBJKKB-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN C=CCCC(CC)=NNCC=C 308004225 572377288 /nfs/dbraw/zinc/37/72/88/572377288.db2.gz COTHTWAXLCRJRO-UHFFFAOYSA-N 0 0 166.268 2.494 10 30 AEEERN CC1=C2C(=O)C=CC[C@H]2CC1 196761767 572377419 /nfs/dbraw/zinc/37/74/19/572377419.db2.gz OOFUAWJPLMHTOF-QMMMGPOBSA-N 0 0 148.205 2.242 10 30 AEEERN CC1(C)C(=O)[C@](Cl)(C#N)C1(C)C 196767134 572377501 /nfs/dbraw/zinc/37/75/01/572377501.db2.gz BOAUYHJBWVUGPW-SECBINFHSA-N 0 0 185.654 2.123 10 30 AEEERN C=CCC[C@@H](C)Nc1c[nH]cn1 308003016 572377667 /nfs/dbraw/zinc/37/76/67/572377667.db2.gz BUQSMLOWNLFCTF-MRVPVSSYSA-N 0 0 165.240 2.176 10 30 AEEERN O=C1C=CC23CCCC12CCC3 196770387 572377717 /nfs/dbraw/zinc/37/77/17/572377717.db2.gz LQLIRMIMSJHYOQ-UHFFFAOYSA-N 0 0 162.232 2.466 10 30 AEEERN C=CCC[C@H](C)Nc1c[nH]cn1 308003018 572377773 /nfs/dbraw/zinc/37/77/73/572377773.db2.gz BUQSMLOWNLFCTF-QMMMGPOBSA-N 0 0 165.240 2.176 10 30 AEEERN C=CC[C@@H](CC)OC(=O)C1CC1 308002973 572377805 /nfs/dbraw/zinc/37/78/05/572377805.db2.gz BTPRJGVOASSWHQ-SECBINFHSA-N 0 0 168.236 2.294 10 30 AEEERN Cc1ncccc1OC/C=C/CS 87155245 572377901 /nfs/dbraw/zinc/37/79/01/572377901.db2.gz ILORTLVDQZFKSF-NSCUHMNNSA-N 0 0 195.287 2.255 10 30 AEEERN CC(C)CCC(C#N)C#N 44250328 572378028 /nfs/dbraw/zinc/37/80/28/572378028.db2.gz SBQFSZUDZNNUFG-UHFFFAOYSA-N 0 0 136.198 2.086 10 30 AEEERN C=C(C)CNC(=O)/C(=C\C)CC 308004086 572378036 /nfs/dbraw/zinc/37/80/36/572378036.db2.gz CJWXJFAOPAIUPY-UITAMQMPSA-N 0 0 167.252 2.035 10 30 AEEERN CCC[C@H](CC=O)c1cccn1C 238224130 572378047 /nfs/dbraw/zinc/37/80/47/572378047.db2.gz IFWQQDOOPFIUGK-SNVBAGLBSA-N 0 0 179.263 2.498 10 30 AEEERN Cc1ncccc1OCCCS 87155217 572378200 /nfs/dbraw/zinc/37/82/00/572378200.db2.gz WFIMUCZWNDMIIS-UHFFFAOYSA-N 0 0 183.276 2.089 10 30 AEEERN C[C@H](C=O)CCc1ccco1 141053034 572378253 /nfs/dbraw/zinc/37/82/53/572378253.db2.gz NDTCWFUQKMEHFP-QMMMGPOBSA-N 0 0 152.193 2.047 10 30 AEEERN C=CCOc1cccc2cncnc12 307106778 572378412 /nfs/dbraw/zinc/37/84/12/572378412.db2.gz KFEVQTSYZOBAJW-UHFFFAOYSA-N 0 0 186.214 2.195 10 30 AEEERN C=C1C[C@@]1(CCO)[Si](C)(C)C 196765771 572378329 /nfs/dbraw/zinc/37/83/29/572378329.db2.gz GHDAXJVSGIJFDU-SECBINFHSA-N 0 0 170.328 2.407 10 30 AEEERN CCN[C@H](C#N)[C@@H](C)C(C)(C)C 308003518 572378489 /nfs/dbraw/zinc/37/84/89/572378489.db2.gz JNOQNUBXXLFTOX-RKDXNWHRSA-N 0 0 168.284 2.170 10 30 AEEERN C[C@@H](C=O)CCc1ccco1 141053214 572378530 /nfs/dbraw/zinc/37/85/30/572378530.db2.gz NDTCWFUQKMEHFP-MRVPVSSYSA-N 0 0 152.193 2.047 10 30 AEEERN CCCCC[C@@](C)(O)C#CC[C@@H](C)O 238224143 572378531 /nfs/dbraw/zinc/37/85/31/572378531.db2.gz IGLBFTFXJHCEAW-VXGBXAGGSA-N 0 0 198.306 2.092 10 30 AEEERN CCN[C@H](C#N)[C@H](C)C(C)(C)C 308003503 572378533 /nfs/dbraw/zinc/37/85/33/572378533.db2.gz JNOQNUBXXLFTOX-DTWKUNHWSA-N 0 0 168.284 2.170 10 30 AEEERN CCCCCCCNc1nnc(N)o1 238224181 572378595 /nfs/dbraw/zinc/37/85/95/572378595.db2.gz RCGVEWWQJCDFLD-UHFFFAOYSA-N 0 0 198.270 2.034 10 30 AEEERN CC1(C)C(=O)[C@@](Cl)(C#N)C1(C)C 196767143 572378668 /nfs/dbraw/zinc/37/86/68/572378668.db2.gz BOAUYHJBWVUGPW-VIFPVBQESA-N 0 0 185.654 2.123 10 30 AEEERN CC1=C2C(=O)C=CC[C@@H]2CC1 196761756 572378675 /nfs/dbraw/zinc/37/86/75/572378675.db2.gz OOFUAWJPLMHTOF-MRVPVSSYSA-N 0 0 148.205 2.242 10 30 AEEERN C=CCC(=NNCCC)C1CC1 308004138 572378678 /nfs/dbraw/zinc/37/86/78/572378678.db2.gz DJCJKALDSYVENE-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=C(C)CNC(=O)/C(=C/C)CC 308004087 572378706 /nfs/dbraw/zinc/37/87/06/572378706.db2.gz CJWXJFAOPAIUPY-WEVVVXLNSA-N 0 0 167.252 2.035 10 30 AEEERN CCN[C@@H](C#N)[C@@H](C)C(C)(C)C 308003498 572378721 /nfs/dbraw/zinc/37/87/21/572378721.db2.gz JNOQNUBXXLFTOX-BDAKNGLRSA-N 0 0 168.284 2.170 10 30 AEEERN C[C@@H]1CCC(=O)C2=C1CCC2 196769277 572378782 /nfs/dbraw/zinc/37/87/82/572378782.db2.gz MMZUZJNADAGHOG-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN CCc1c(N)ccc(C#N)c1Cl 71244855 572378789 /nfs/dbraw/zinc/37/87/89/572378789.db2.gz IGTSSNVGLMCKBS-UHFFFAOYSA-N 0 0 180.638 2.356 10 30 AEEERN C=CC[C@H](CC)OC(=O)C1CC1 308002974 572378814 /nfs/dbraw/zinc/37/88/14/572378814.db2.gz BTPRJGVOASSWHQ-VIFPVBQESA-N 0 0 168.236 2.294 10 30 AEEERN C[C@H]1CCC(=O)C2=C1CCC2 196769291 572378871 /nfs/dbraw/zinc/37/88/71/572378871.db2.gz MMZUZJNADAGHOG-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN Cc1ncccc1OCCCCS 87155215 572379030 /nfs/dbraw/zinc/37/90/30/572379030.db2.gz OXOZXDVEGGKYIQ-UHFFFAOYSA-N 0 0 197.303 2.479 10 30 AEEERN CC(C)CC[C@](C)(O)[C@H](C)C#N 308000805 572379175 /nfs/dbraw/zinc/37/91/75/572379175.db2.gz HFYYNOCRYXOVKZ-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN CCCCC[C@@H]1O[C@@H]1CCCCO 238222814 572379246 /nfs/dbraw/zinc/37/92/46/572379246.db2.gz HLGILNUZWUNCBH-WDEREUQCSA-N 0 0 186.295 2.497 10 30 AEEERN CC(C)CC[C@](C)(O)[C@@H](C)C#N 308000802 572379600 /nfs/dbraw/zinc/37/96/00/572379600.db2.gz HFYYNOCRYXOVKZ-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN CCC(CC)N(CC#N)C(C)C 87157242 572379793 /nfs/dbraw/zinc/37/97/93/572379793.db2.gz FLUSCWNBSVTJRF-UHFFFAOYSA-N 0 0 168.284 2.409 10 30 AEEERN C=CCNN=C1CCCC1(C)C 308005588 572380122 /nfs/dbraw/zinc/38/01/22/572380122.db2.gz DBXQNRXALHKPGD-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=C(CO)C[C@@H](O)CCCCCC 238224186 572380169 /nfs/dbraw/zinc/38/01/69/572380169.db2.gz DRFQZUYAFBTAPU-NSHDSACASA-N 0 0 186.295 2.256 10 30 AEEERN CCCCC[C@@H]1O[C@H]1CCCCO 238223030 572380299 /nfs/dbraw/zinc/38/02/99/572380299.db2.gz HLGILNUZWUNCBH-QWRGUYRKSA-N 0 0 186.295 2.497 10 30 AEEERN C#CCCC[C@H](O)c1ccc(N)cc1 236339738 572380501 /nfs/dbraw/zinc/38/05/01/572380501.db2.gz NYOIDLQXKGNUQV-LBPRGKRZSA-N 0 0 189.258 2.106 10 30 AEEERN O=C1C=C[C@H]2C=C[C@@]12Nc1ccccc1 238677061 572380575 /nfs/dbraw/zinc/38/05/75/572380575.db2.gz PTEHGBHCSKLNQP-GWCFXTLKSA-N 0 0 197.237 2.162 10 30 AEEERN C#C[C@H](Nc1ccc(F)cn1)C(C)C 300903517 572380632 /nfs/dbraw/zinc/38/06/32/572380632.db2.gz WQZSHEFFMVXOGZ-JTQLQIEISA-N 0 0 192.237 2.290 10 30 AEEERN COc1ccc(C[C@@H](C)C=O)c(C)c1 83697323 572380690 /nfs/dbraw/zinc/38/06/90/572380690.db2.gz XKBHFAMTNRXPBE-SECBINFHSA-N 0 0 192.258 2.381 10 30 AEEERN COc1ccc(C[C@H](C)C=O)c(C)c1 83697326 572380717 /nfs/dbraw/zinc/38/07/17/572380717.db2.gz XKBHFAMTNRXPBE-VIFPVBQESA-N 0 0 192.258 2.381 10 30 AEEERN CCCCC(=O)CCCC#N 238223135 572380822 /nfs/dbraw/zinc/38/08/22/572380822.db2.gz RPDGEJNPVDMJLN-UHFFFAOYSA-N 0 0 153.225 2.440 10 30 AEEERN C=CCCC[C@@H](C#N)CCCO 238675145 572380898 /nfs/dbraw/zinc/38/08/98/572380898.db2.gz MMALAMWDHMHYFW-SNVBAGLBSA-N 0 0 167.252 2.255 10 30 AEEERN C#C[C@@](C)(CCCCC)OC(=O)NC 238224311 572380901 /nfs/dbraw/zinc/38/09/01/572380901.db2.gz JBLQASYYTKUGCP-NSHDSACASA-N 0 0 197.278 2.315 10 30 AEEERN N#CCc1cc2ccccc2cc1CO 238681527 572383216 /nfs/dbraw/zinc/38/32/16/572383216.db2.gz UYCJUSZVTIIAEQ-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN C=CC[C@@H](NN)[C@@H](C)CC(C)C 308001746 572383550 /nfs/dbraw/zinc/38/35/50/572383550.db2.gz HWPMPHWWNZVSCO-VHSXEESVSA-N 0 0 170.300 2.077 10 30 AEEERN C=C(Cl)CN(C)[C@@H]1CC1(C)C 307181341 572381380 /nfs/dbraw/zinc/38/13/80/572381380.db2.gz MOMYYCQFUZUNCJ-MRVPVSSYSA-N 0 0 173.687 2.469 10 30 AEEERN O=C1C=C[C@H]2C=C[C@]12Nc1ccccc1 238676995 572381447 /nfs/dbraw/zinc/38/14/47/572381447.db2.gz PTEHGBHCSKLNQP-GXFFZTMASA-N 0 0 197.237 2.162 10 30 AEEERN C=C[C@@H]1CCCCN1C(=O)/C=C/C 307188005 572381512 /nfs/dbraw/zinc/38/15/12/572381512.db2.gz AVDPHJSDRLJQIB-KFEJWOFMSA-N 0 0 179.263 2.130 10 30 AEEERN C=C1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 307102376 572381836 /nfs/dbraw/zinc/38/18/36/572381836.db2.gz IECBJRKCQTWFMJ-KKZNHRDASA-N 0 0 166.264 2.360 10 30 AEEERN C=C(CO)CCCCC1=CCC[C@@H]1O 238681367 572384414 /nfs/dbraw/zinc/38/44/14/572384414.db2.gz LCPMFVQNRWWXCV-LBPRGKRZSA-N 0 0 196.290 2.176 10 30 AEEERN CC(C)CC[C@@](C)(O)[C@@H](C)C#N 308000804 572382188 /nfs/dbraw/zinc/38/21/88/572382188.db2.gz HFYYNOCRYXOVKZ-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN O=C1C=C[C@@H]2C=C[C@]12Nc1ccccc1 238675867 572382244 /nfs/dbraw/zinc/38/22/44/572382244.db2.gz PTEHGBHCSKLNQP-ZWNOBZJWSA-N 0 0 197.237 2.162 10 30 AEEERN CCCCCCCOC1=[NH+]CCCN1 238224581 572382251 /nfs/dbraw/zinc/38/22/51/572382251.db2.gz RRIODCNOPWVHOG-UHFFFAOYSA-N 0 0 198.310 2.323 10 30 AEEERN C=CCCCOc1ncccc1N 236340028 572382402 /nfs/dbraw/zinc/38/24/02/572382402.db2.gz WHYXHISLLNFOHG-UHFFFAOYSA-N 0 0 178.235 2.009 10 30 AEEERN C=C(CO)CC[C@@H](O)c1ccccc1 238681511 572382468 /nfs/dbraw/zinc/38/24/68/572382468.db2.gz QNXVJMCDTOBLCZ-GFCCVEGCSA-N 0 0 192.258 2.049 10 30 AEEERN C#CCCC[C@@H](O)c1ccc(N)cc1 236339841 572382525 /nfs/dbraw/zinc/38/25/25/572382525.db2.gz NYOIDLQXKGNUQV-GFCCVEGCSA-N 0 0 189.258 2.106 10 30 AEEERN C=C(COC)[C@@]1(O)CC(C)(C)C[C@H]1C 307171158 572384678 /nfs/dbraw/zinc/38/46/78/572384678.db2.gz BBZKMFVQHAQDIT-BXKDBHETSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(CO)CC[C@H](O)c1ccccc1 238681526 572382551 /nfs/dbraw/zinc/38/25/51/572382551.db2.gz QNXVJMCDTOBLCZ-LBPRGKRZSA-N 0 0 192.258 2.049 10 30 AEEERN CCCN(CC#N)C(CC)CC 87157222 572382600 /nfs/dbraw/zinc/38/26/00/572382600.db2.gz TVBUUVDAIFASCE-UHFFFAOYSA-N 0 0 168.284 2.411 10 30 AEEERN C=C(CO)CSCc1ccccc1 238681767 572382634 /nfs/dbraw/zinc/38/26/34/572382634.db2.gz YDYLZAPATYRHPH-UHFFFAOYSA-N 0 0 194.299 2.468 10 30 AEEERN C=C[C@@H]1C[C@H]2C(=C)[C@H](O)[C@@H]1C=C2C 307153793 572382878 /nfs/dbraw/zinc/38/28/78/572382878.db2.gz BBGGCWBENMWXKD-KKOKHZNYSA-N 0 0 176.259 2.302 10 30 AEEERN N#Cc1ccc(-c2coc(CO)c2)cc1 238678382 572382901 /nfs/dbraw/zinc/38/29/01/572382901.db2.gz KPWDMGOFPZUIRT-UHFFFAOYSA-N 0 0 199.209 2.311 10 30 AEEERN C=CC[C@@H](NN)[C@H](C)CC(C)C 308001731 572382939 /nfs/dbraw/zinc/38/29/39/572382939.db2.gz HWPMPHWWNZVSCO-NXEZZACHSA-N 0 0 170.300 2.077 10 30 AEEERN CCCNN=C1CC(C(F)F)C1 308002003 572383201 /nfs/dbraw/zinc/38/32/01/572383201.db2.gz ALENHFCPLZNRAG-UHFFFAOYSA-N 0 0 176.210 2.017 10 30 AEEERN C=C(CO)SCc1ccccc1 238682170 572383233 /nfs/dbraw/zinc/38/32/33/572383233.db2.gz MYEZXBZYFCLJIC-UHFFFAOYSA-N 0 0 180.272 2.426 10 30 AEEERN CCC[C@](C)(C=O)CCC(C)=O 238223344 572383473 /nfs/dbraw/zinc/38/34/73/572383473.db2.gz UCLJSZZSENJROT-JTQLQIEISA-N 0 0 170.252 2.361 10 30 AEEERN N#Cc1cc2cccccc-2c1CCO 238681109 572383480 /nfs/dbraw/zinc/38/34/80/572383480.db2.gz LQRDLYBAWJZHQM-UHFFFAOYSA-N 0 0 197.237 2.198 10 30 AEEERN N#Cc1cc(CCO)c2cccccc1-2 238681928 572383682 /nfs/dbraw/zinc/38/36/82/572383682.db2.gz RZTRJGFRSKINRI-UHFFFAOYSA-N 0 0 197.237 2.198 10 30 AEEERN C=C[C@@H](C(C)C)n1ccnc1C=O 238225867 572383722 /nfs/dbraw/zinc/38/37/22/572383722.db2.gz XHDLVMGWQOMJRT-VIFPVBQESA-N 0 0 178.235 2.079 10 30 AEEERN CCCCC[C@@]1(C#N)CCC[C@H](O)O1 238224645 572383807 /nfs/dbraw/zinc/38/38/07/572383807.db2.gz RESKQKQPUVAQOF-MNOVXSKESA-N 0 0 197.278 2.348 10 30 AEEERN CCCCC[C@@]1(C#N)CCC[C@@H](O)O1 238224636 572386408 /nfs/dbraw/zinc/38/64/08/572386408.db2.gz RESKQKQPUVAQOF-QWRGUYRKSA-N 0 0 197.278 2.348 10 30 AEEERN N#Cc1ccc2ccc(CCO)c-2cc1 238683011 572383886 /nfs/dbraw/zinc/38/38/86/572383886.db2.gz MVICITLJCGXMGP-UHFFFAOYSA-N 0 0 197.237 2.198 10 30 AEEERN O=CCCc1cc(F)ccc1F 60710488 572386413 /nfs/dbraw/zinc/38/64/13/572386413.db2.gz IFOQDSYBXMFGPE-UHFFFAOYSA-N 0 0 170.158 2.096 10 30 AEEERN CC(C)(C)CC[C@@](C)(O)CC#N 308001728 572383974 /nfs/dbraw/zinc/38/39/74/572383974.db2.gz HWCVNNUASWKPPY-SNVBAGLBSA-N 0 0 169.268 2.477 10 30 AEEERN C=C(CO)CCCCC1=CCC[C@H]1O 238681382 572384078 /nfs/dbraw/zinc/38/40/78/572384078.db2.gz LCPMFVQNRWWXCV-GFCCVEGCSA-N 0 0 196.290 2.176 10 30 AEEERN C=CCCC[C@H](C#N)CCCO 238680102 572384146 /nfs/dbraw/zinc/38/41/46/572384146.db2.gz MMALAMWDHMHYFW-JTQLQIEISA-N 0 0 167.252 2.255 10 30 AEEERN C#C[C@H](O)[C@H](/C(C)=C/C=C)C(C)C 238223407 572384151 /nfs/dbraw/zinc/38/41/51/572384151.db2.gz JXVTTXGNGJXODM-IMNITIESSA-N 0 0 178.275 2.385 10 30 AEEERN C=CC[C@@H](CCC)NC(=O)C=C 238223465 572384252 /nfs/dbraw/zinc/38/42/52/572384252.db2.gz CHPLOBRDPJIYCS-VIFPVBQESA-N 0 0 167.252 2.033 10 30 AEEERN C=C(CCC)[C@H](O)C1=CCCCO1 238223395 572384349 /nfs/dbraw/zinc/38/43/49/572384349.db2.gz BUDHLQPYRWSQFB-NSHDSACASA-N 0 0 182.263 2.398 10 30 AEEERN CCC(=O)[C@@H](C)SCCC#N 238223658 572384480 /nfs/dbraw/zinc/38/44/80/572384480.db2.gz MBLUSEGDVZULHG-SSDOTTSWSA-N 0 0 171.265 2.001 10 30 AEEERN C=C1C[C@@]1(CCCO)CCCC=O 238679586 572384610 /nfs/dbraw/zinc/38/46/10/572384610.db2.gz GCBMDMSAQHRADZ-NSHDSACASA-N 0 0 182.263 2.074 10 30 AEEERN C=C1C[C@@]1(CCCO)CCCC#N 238679555 572384615 /nfs/dbraw/zinc/38/46/15/572384615.db2.gz AWHRQZPPEGMKIJ-NSHDSACASA-N 0 0 179.263 2.399 10 30 AEEERN C=C(CCC)[C@@H](O)C1=CCCCO1 238223252 572384621 /nfs/dbraw/zinc/38/46/21/572384621.db2.gz BUDHLQPYRWSQFB-LLVKDONJSA-N 0 0 182.263 2.398 10 30 AEEERN C=C[C@@H](O)CS[C@@H](C)CC 307153221 572384646 /nfs/dbraw/zinc/38/46/46/572384646.db2.gz ZTRUVQWAFGMASS-JGVFFNPUSA-N 0 0 160.282 2.065 10 30 AEEERN C=CC[C@H](NN)[C@@H](C)CC(C)C 308001739 572384652 /nfs/dbraw/zinc/38/46/52/572384652.db2.gz HWPMPHWWNZVSCO-UWVGGRQHSA-N 0 0 170.300 2.077 10 30 AEEERN C=C[C@H](O)c1sccc1F 307126294 572384727 /nfs/dbraw/zinc/38/47/27/572384727.db2.gz CQBPUAXVVGXHHK-LURJTMIESA-N 0 0 158.197 2.107 10 30 AEEERN C=C(CCCC#N)C(=O)NCCCC 238225499 572384735 /nfs/dbraw/zinc/38/47/35/572384735.db2.gz LMNJPVZUTXHKAW-UHFFFAOYSA-N 0 0 194.278 2.153 10 30 AEEERN C#CCSCc1cccnc1C 307145043 572384787 /nfs/dbraw/zinc/38/47/87/572384787.db2.gz ARKFIKNNZGDGEL-UHFFFAOYSA-N 0 0 177.272 2.256 10 30 AEEERN CCCCOCCC1(C#N)CC1 308001509 572384822 /nfs/dbraw/zinc/38/48/22/572384822.db2.gz HSYIIANRJFQRFO-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN CCCCCC[C@H](O)[C@]1(C)CO1 238225586 572384896 /nfs/dbraw/zinc/38/48/96/572384896.db2.gz VQGLRWHETSUCPI-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN CC(C)[C@H](C=O)N(O)c1ccccc1 238225951 572384917 /nfs/dbraw/zinc/38/49/17/572384917.db2.gz DYVHMNHUCSYHFT-NSHDSACASA-N 0 0 193.246 2.106 10 30 AEEERN CON=C[C@H](C)c1ccccc1 308001699 572384994 /nfs/dbraw/zinc/38/49/94/572384994.db2.gz ABKRZQAOPIGTCS-VIFPVBQESA-N 0 0 163.220 2.422 10 30 AEEERN CCCCCC[C@H](O)[C@]1(C)O[C@@H]1C 238225595 572385132 /nfs/dbraw/zinc/38/51/32/572385132.db2.gz GYILKQGSQZAWMM-OUAUKWLOSA-N 0 0 186.295 2.495 10 30 AEEERN C=C[C@H]1[C@H]2C[C@H]([C@H](CO)C2)[C@H]1CC 307149245 572385139 /nfs/dbraw/zinc/38/51/39/572385139.db2.gz QXZWOCQOJOQMRG-WTPMCQDGSA-N 0 0 180.291 2.463 10 30 AEEERN CCCCCC[C@H](O)[C@@]1(C)O[C@@H]1C 238225331 572385251 /nfs/dbraw/zinc/38/52/51/572385251.db2.gz GYILKQGSQZAWMM-VWYCJHECSA-N 0 0 186.295 2.495 10 30 AEEERN CCCP(=O)(CC=O)CCC 238226050 572385275 /nfs/dbraw/zinc/38/52/75/572385275.db2.gz WQFGMHBVPOJDFO-UHFFFAOYSA-N 0 0 176.196 2.368 10 30 AEEERN C=C[C@@]1(C)CC[C@H]([C@H](C)[C@H](C)O)O1 307155252 572385424 /nfs/dbraw/zinc/38/54/24/572385424.db2.gz DTMNLTMKMOJMPJ-YTWAJWBKSA-N 0 0 184.279 2.127 10 30 AEEERN CON=C[C@@H](C)c1ccccc1 308001696 572385435 /nfs/dbraw/zinc/38/54/35/572385435.db2.gz ABKRZQAOPIGTCS-SECBINFHSA-N 0 0 163.220 2.422 10 30 AEEERN CCc1ccc(CCC=O)s1 60710444 572385461 /nfs/dbraw/zinc/38/54/61/572385461.db2.gz KRKOYEHRFARIFP-UHFFFAOYSA-N 0 0 168.261 2.442 10 30 AEEERN CC(C)(C)CC[C@](C)(O)CC#N 308001723 572385485 /nfs/dbraw/zinc/38/54/85/572385485.db2.gz HWCVNNUASWKPPY-JTQLQIEISA-N 0 0 169.268 2.477 10 30 AEEERN C=C[C@@H](C(C)C)[C@]1(CO)CCCC1=O 238225823 572385530 /nfs/dbraw/zinc/38/55/30/572385530.db2.gz LXIYINHLYDIWEJ-CMPLNLGQSA-N 0 0 196.290 2.176 10 30 AEEERN C/C(=C/c1ccccc1)C(=O)[C@@H](C)O 206746180 572385540 /nfs/dbraw/zinc/38/55/40/572385540.db2.gz ZTEZUBFBGOVHMO-HSTULFTRSA-N 0 0 190.242 2.040 10 30 AEEERN CCCCC[C@H](O)C1(C#N)CC1 308002396 572385883 /nfs/dbraw/zinc/38/58/83/572385883.db2.gz IMJGWPAYQNRDEZ-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN N#Cc1ccc2ccc(CCO)cc2c1 238686826 572385962 /nfs/dbraw/zinc/38/59/62/572385962.db2.gz XFHXSGYDSAYLND-UHFFFAOYSA-N 0 0 197.237 2.246 10 30 AEEERN CCCCCC[C@H](O)[C@@]1(C)CO1 238225317 572385992 /nfs/dbraw/zinc/38/59/92/572385992.db2.gz VQGLRWHETSUCPI-VHSXEESVSA-N 0 0 172.268 2.107 10 30 AEEERN C=C[C@@H](C(C)C)[C@@]1(CO)CCCC1=O 238225739 572386011 /nfs/dbraw/zinc/38/60/11/572386011.db2.gz LXIYINHLYDIWEJ-JQWIXIFHSA-N 0 0 196.290 2.176 10 30 AEEERN CCCCC[C@@]1(C[C@H](C)O)CO1 238225216 572386016 /nfs/dbraw/zinc/38/60/16/572386016.db2.gz SXBQNJDGMDEIJF-VHSXEESVSA-N 0 0 172.268 2.107 10 30 AEEERN CCC[C@@](C#N)(OCC)C1CC1 308005956 572386182 /nfs/dbraw/zinc/38/61/82/572386182.db2.gz LRJCGQUGCUXHAZ-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN N#Cc1ccc(-c2cc(C=O)on2)cc1 238687360 572386251 /nfs/dbraw/zinc/38/62/51/572386251.db2.gz LDZUSRZTGUNQQR-UHFFFAOYSA-N 0 0 198.181 2.026 10 30 AEEERN CCC[C@](C#N)(OCC)C1CC1 308005957 572386326 /nfs/dbraw/zinc/38/63/26/572386326.db2.gz LRJCGQUGCUXHAZ-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN C=C(C)[C@@](C)(O)[C@H]1CC1(C)C 307196996 572386398 /nfs/dbraw/zinc/38/63/98/572386398.db2.gz QFJMTIUHPXMDHB-WCBMZHEXSA-N 0 0 154.253 2.360 10 30 AEEERN CCCCC[C@@]1(C[C@@H](C)O)CO1 238225200 572386404 /nfs/dbraw/zinc/38/64/04/572386404.db2.gz SXBQNJDGMDEIJF-NXEZZACHSA-N 0 0 172.268 2.107 10 30 AEEERN CCCC(=O)C1=C(O)CCC1 238226366 572387221 /nfs/dbraw/zinc/38/72/21/572387221.db2.gz CKPGIWXOLSZOLX-UHFFFAOYSA-N 0 0 154.209 2.352 10 30 AEEERN CCCCC[C@@H](O)C1(C#N)CC1 308002394 572386531 /nfs/dbraw/zinc/38/65/31/572386531.db2.gz IMJGWPAYQNRDEZ-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN C=C(C)[C@H](O)[C@H](C)/C=C/C 307168190 572386538 /nfs/dbraw/zinc/38/65/38/572386538.db2.gz UIRPBZZAPBWXIO-RKWMXMRGSA-N 0 0 140.226 2.136 10 30 AEEERN CCCCCCCP(CO)CO 238226369 572386691 /nfs/dbraw/zinc/38/66/91/572386691.db2.gz GGPHOUGDDQZTFZ-UHFFFAOYSA-N 0 0 192.239 2.338 10 30 AEEERN O=Cc1cc(C#Cc2ccccc2)c[nH]1 238686797 572386957 /nfs/dbraw/zinc/38/69/57/572386957.db2.gz CSABUADJZUYYKL-UHFFFAOYSA-N 0 0 195.221 2.227 10 30 AEEERN C=CCC[C@@H](O)c1cccc(N)c1 236343553 572387003 /nfs/dbraw/zinc/38/70/03/572387003.db2.gz AGQMTVZJKLEKQC-LLVKDONJSA-N 0 0 177.247 2.268 10 30 AEEERN C=CC[NH2+][C@@](CC)(CCCC)C(=O)[O-] 68986330 572387098 /nfs/dbraw/zinc/38/70/98/572387098.db2.gz CSLAJIZQEVCOSJ-NSHDSACASA-N 0 0 199.294 2.186 10 30 AEEERN C=C(C)C[C@]1(C)C(=O)CCCC[C@@H]1O 307180234 572387101 /nfs/dbraw/zinc/38/71/01/572387101.db2.gz LFUSINJWPQZUAX-JQWIXIFHSA-N 0 0 196.290 2.463 10 30 AEEERN C#CC[C@H](C#C)C[C@H](O)c1ccccc1 238691857 572387866 /nfs/dbraw/zinc/38/78/66/572387866.db2.gz PIOIMAUVVRKWTM-JSGCOSHPSA-N 0 0 198.265 2.383 10 30 AEEERN C=CCC[C@H](O)c1cccc(N)c1 236343379 572387868 /nfs/dbraw/zinc/38/78/68/572387868.db2.gz AGQMTVZJKLEKQC-NSHDSACASA-N 0 0 177.247 2.268 10 30 AEEERN C#CCCC[C@@]1(CO)C=CCC1 238691853 572387880 /nfs/dbraw/zinc/38/78/80/572387880.db2.gz QQWVOELEHHPXKB-LLVKDONJSA-N 0 0 164.248 2.119 10 30 AEEERN CCC(O)=C(C=O)c1cccc(C)c1 238224755 572387550 /nfs/dbraw/zinc/38/75/50/572387550.db2.gz KJOJCGSHZWSKBF-NSHDSACASA-N 0 0 190.242 2.257 10 30 AEEERN C#CCNc1cccc2ncccc12 68989646 572387590 /nfs/dbraw/zinc/38/75/90/572387590.db2.gz PEVJZYLQRDDIPI-UHFFFAOYSA-N 0 0 182.226 2.280 10 30 AEEERN N#CCc1ccc2cc(CO)ccc2c1 238692457 572387627 /nfs/dbraw/zinc/38/76/27/572387627.db2.gz DEMJPASOXIZZJT-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN N#Cc1cccnc1-c1ccc(C=O)o1 238691899 572387693 /nfs/dbraw/zinc/38/76/93/572387693.db2.gz NHBVECJPYSHYTR-UHFFFAOYSA-N 0 0 198.181 2.026 10 30 AEEERN C=C[C@H]1C=C[C@H](C=C)C1OC 307124353 572387717 /nfs/dbraw/zinc/38/77/17/572387717.db2.gz QXAGSWMAPQGUQB-IUCAKERBSA-N 0 0 150.221 2.176 10 30 AEEERN CC/C=C/C(=O)C[C@H]1CCCOC1 689629024 572387745 /nfs/dbraw/zinc/38/77/45/572387745.db2.gz DYUWGFVGNAMPQY-QLCVYAKKSA-N 0 0 182.263 2.338 10 30 AEEERN C#CCCC[C@H](O)c1cccc(N)c1 236343395 572387881 /nfs/dbraw/zinc/38/78/81/572387881.db2.gz BCSJPTHLMXBWFI-LBPRGKRZSA-N 0 0 189.258 2.106 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)/C=C/C 307188004 572387779 /nfs/dbraw/zinc/38/77/79/572387779.db2.gz AVDPHJSDRLJQIB-HTZNOQTFSA-N 0 0 179.263 2.130 10 30 AEEERN C#CCCC[C@@H](O)c1cccc(N)c1 236343564 572387847 /nfs/dbraw/zinc/38/78/47/572387847.db2.gz BCSJPTHLMXBWFI-GFCCVEGCSA-N 0 0 189.258 2.106 10 30 AEEERN N#CCc1ccc2ccc(CO)cc2c1 238692677 572387853 /nfs/dbraw/zinc/38/78/53/572387853.db2.gz LSVCIIPHWKVQQS-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN C#CC[C@@H](O)C1(CC2CC2)CCC1 238693175 572387924 /nfs/dbraw/zinc/38/79/24/572387924.db2.gz QVZOSDLLJUKNCD-LLVKDONJSA-N 0 0 178.275 2.341 10 30 AEEERN CC/C=C\C(=O)C[C@H]1CCCOC1 689629027 572387939 /nfs/dbraw/zinc/38/79/39/572387939.db2.gz DYUWGFVGNAMPQY-XICOKMJESA-N 0 0 182.263 2.338 10 30 AEEERN CC#CN1CCc2ccccc21 307107211 572387946 /nfs/dbraw/zinc/38/79/46/572387946.db2.gz KPVBWIGKMNWKDA-UHFFFAOYSA-N 0 0 157.216 2.030 10 30 AEEERN N#CCc1cccc2cc(CO)ccc12 238692240 572387973 /nfs/dbraw/zinc/38/79/73/572387973.db2.gz DFKWYSNILBPWRW-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN C#CCNc1ccc(N(C)C)cc1C 68989869 572388023 /nfs/dbraw/zinc/38/80/23/572388023.db2.gz RQPCFONZMGJRRL-UHFFFAOYSA-N 0 0 188.274 2.106 10 30 AEEERN C=C[C@@]1(C)CC[C@H]([C@H](C)[C@@H](C)O)O1 307155250 572388055 /nfs/dbraw/zinc/38/80/55/572388055.db2.gz DTMNLTMKMOJMPJ-DBIOUOCHSA-N 0 0 184.279 2.127 10 30 AEEERN C#CC[C@@H](O)C(=C)CCCC=C 238692963 572388140 /nfs/dbraw/zinc/38/81/40/572388140.db2.gz JFJAJVFEGXYKCM-LLVKDONJSA-N 0 0 164.248 2.283 10 30 AEEERN C#CC[C@@H](O)C1(CCCF)CCC1 238693107 572388146 /nfs/dbraw/zinc/38/81/46/572388146.db2.gz HYWBGISFNRINOQ-SNVBAGLBSA-N 0 0 184.254 2.291 10 30 AEEERN N#CCc1cccc2ccc(CO)cc12 238692888 572388199 /nfs/dbraw/zinc/38/81/99/572388199.db2.gz YNXLGEBUPXISSK-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN C=C(C)C(=O)C(=C)OCCC 238226517 572388284 /nfs/dbraw/zinc/38/82/84/572388284.db2.gz ZWFBSZLJPPSACR-UHFFFAOYSA-N 0 0 154.209 2.072 10 30 AEEERN C=C(OCCC)[C@@H](O)/C(C)=C/C 238226583 572388505 /nfs/dbraw/zinc/38/85/05/572388505.db2.gz OWINJNIWQMGHNR-PCGIRMHASA-N 0 0 170.252 2.254 10 30 AEEERN CCCCC[C@@]1(C)OC=CC1=O 238224981 572388633 /nfs/dbraw/zinc/38/86/33/572388633.db2.gz OPQLTYCANVTDNL-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN C=C(OCCC)[C@H](O)/C(C)=C/C 238226636 572388674 /nfs/dbraw/zinc/38/86/74/572388674.db2.gz OWINJNIWQMGHNR-QEHWCHDUSA-N 0 0 170.252 2.254 10 30 AEEERN CCOCOc1ccc(CC#N)cc1 83756078 572388783 /nfs/dbraw/zinc/38/87/83/572388783.db2.gz XPABJZAEQSRTFA-UHFFFAOYSA-N 0 0 191.230 2.125 10 30 AEEERN C=C[C@@H]1CC[C@H](C=C)[C@@]12CC[C@H](O)O2 307125692 572388897 /nfs/dbraw/zinc/38/88/97/572388897.db2.gz CFEBVNXEFHQMLD-WRWGMCAJSA-N 0 0 194.274 2.252 10 30 AEEERN C#CCNc1ccc(-c2cc[nH]n2)cc1 68990447 572389121 /nfs/dbraw/zinc/38/91/21/572389121.db2.gz FTQFRIHFTCJSFV-UHFFFAOYSA-N 0 0 197.241 2.122 10 30 AEEERN C=CC[C@@H](CO)Cc1ccsc1 238701507 572389124 /nfs/dbraw/zinc/38/91/24/572389124.db2.gz RJQYHGBFFXJCTD-SECBINFHSA-N 0 0 182.288 2.475 10 30 AEEERN C=C1C[C@]1(CCCO)CCCC=O 238683632 572389150 /nfs/dbraw/zinc/38/91/50/572389150.db2.gz GCBMDMSAQHRADZ-LLVKDONJSA-N 0 0 182.263 2.074 10 30 AEEERN C=CCC[C@@H](O)Cc1ccco1 238700159 572389220 /nfs/dbraw/zinc/38/92/20/572389220.db2.gz FGVWHTWPIPFTJG-SECBINFHSA-N 0 0 166.220 2.149 10 30 AEEERN C=CC[C@@H](CO)CC=C1CC1 238701491 572389324 /nfs/dbraw/zinc/38/93/24/572389324.db2.gz QDTFLORYPNYPRO-SNVBAGLBSA-N 0 0 152.237 2.281 10 30 AEEERN C#CCSc1ncc(C(C)C)n1C 307199674 572389338 /nfs/dbraw/zinc/38/93/38/572389338.db2.gz CPACJBBJKDQTIO-UHFFFAOYSA-N 0 0 194.303 2.269 10 30 AEEERN C=C(C)[C@@](C)(O)[C@@H]1CC1(C)C 307196994 572389381 /nfs/dbraw/zinc/38/93/81/572389381.db2.gz QFJMTIUHPXMDHB-PSASIEDQSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1C[C@]1(CCCO)CCCC#N 238683615 572389389 /nfs/dbraw/zinc/38/93/89/572389389.db2.gz AWHRQZPPEGMKIJ-LLVKDONJSA-N 0 0 179.263 2.399 10 30 AEEERN C#CCCC[C@@H](O)C#Cc1ccccc1 238700522 572389414 /nfs/dbraw/zinc/38/94/14/572389414.db2.gz GPENVWZFHUGUSQ-CQSZACIVSA-N 0 0 198.265 2.203 10 30 AEEERN C#CC[C@@]12CCCC1=C[C@@H](O)CC2 307101998 572389468 /nfs/dbraw/zinc/38/94/68/572389468.db2.gz IBMNQWCZKNURIZ-RYUDHWBXSA-N 0 0 176.259 2.261 10 30 AEEERN C=C[C@H](O)C/C=C/c1ccco1 238685041 572389489 /nfs/dbraw/zinc/38/94/89/572389489.db2.gz KDHCAPSQFNJNOG-SWTNXBIASA-N 0 0 164.204 2.230 10 30 AEEERN CCCc1nc(CC)c(CC#N)o1 238226645 572389533 /nfs/dbraw/zinc/38/95/33/572389533.db2.gz BQRMBIZJVIYJGJ-UHFFFAOYSA-N 0 0 178.235 2.256 10 30 AEEERN C=CCCC[C@@H](O)C1=CCCCC1=O 238700983 572389535 /nfs/dbraw/zinc/38/95/35/572389535.db2.gz LTQSBUFEEGRXCV-LLVKDONJSA-N 0 0 194.274 2.383 10 30 AEEERN C=C[C@@H]1C=C[C@@H](C=C)C1OC 307124355 572389615 /nfs/dbraw/zinc/38/96/15/572389615.db2.gz QXAGSWMAPQGUQB-RKDXNWHRSA-N 0 0 150.221 2.176 10 30 AEEERN CC/C=C\C(=O)C[C@@H]1CCCOC1 689629021 572389655 /nfs/dbraw/zinc/38/96/55/572389655.db2.gz DYUWGFVGNAMPQY-NWPZZWLHSA-N 0 0 182.263 2.338 10 30 AEEERN C=C/C=C/C=C/C[C@@H](O)C=C 238684937 572389687 /nfs/dbraw/zinc/38/96/87/572389687.db2.gz SCTHEPZSZLAGGW-DOYBTKHBSA-N 0 0 150.221 2.222 10 30 AEEERN N#Cc1c(O)c2c(c3c1CCC3)CCC2 238700224 572389694 /nfs/dbraw/zinc/38/96/94/572389694.db2.gz LXFKMRQKDLGLKB-UHFFFAOYSA-N 0 0 199.253 2.241 10 30 AEEERN C=CC[C@@H](CO)CC(=C)C=C 238701461 572389711 /nfs/dbraw/zinc/38/97/11/572389711.db2.gz NQCUUPDSAGDUBU-SNVBAGLBSA-N 0 0 152.237 2.303 10 30 AEEERN O=CC[C@H](CF)c1ccccc1 238684558 572389753 /nfs/dbraw/zinc/38/97/53/572389753.db2.gz NDDOISLEDOLPGQ-SNVBAGLBSA-N 0 0 166.195 2.329 10 30 AEEERN C=CCCC[C@@H](O)[C@@H]1CCCCC1=O 238701053 572389759 /nfs/dbraw/zinc/38/97/59/572389759.db2.gz ZGWMUNSZWKMZQQ-WDEREUQCSA-N 0 0 196.290 2.463 10 30 AEEERN C=CC#CCCC[C@@H](O)CC=C 238700619 572389788 /nfs/dbraw/zinc/38/97/88/572389788.db2.gz HGDYLIMDVUTOMX-NSHDSACASA-N 0 0 164.248 2.283 10 30 AEEERN C#Cc1occc1Br 68980830 572389825 /nfs/dbraw/zinc/38/98/25/572389825.db2.gz DWADAMWJTOSWHO-UHFFFAOYSA-N 0 0 170.993 2.023 10 30 AEEERN CC/C=C/C(=O)C[C@@H]1CCCOC1 689629029 572389901 /nfs/dbraw/zinc/38/99/01/572389901.db2.gz DYUWGFVGNAMPQY-YVGDHZEHSA-N 0 0 182.263 2.338 10 30 AEEERN C=CCCC[C@@H](O)[C@H]1CCC=CC1=O 238701078 572389919 /nfs/dbraw/zinc/38/99/19/572389919.db2.gz IFMXXCOGGUWCDN-GHMZBOCLSA-N 0 0 194.274 2.239 10 30 AEEERN O=CCCC[C@@H](O)c1ccccc1 238701207 572389956 /nfs/dbraw/zinc/38/99/56/572389956.db2.gz XFKQQXDJIXUVKP-LLVKDONJSA-N 0 0 178.231 2.089 10 30 AEEERN C=C(Cl)CN1CCc2ncccc21 307195996 572389993 /nfs/dbraw/zinc/38/99/93/572389993.db2.gz SJEOGFJYBLFAGP-UHFFFAOYSA-N 0 0 194.665 2.197 10 30 AEEERN C=CC/C=C/[C@H](O)CCC=C 238700281 572389938 /nfs/dbraw/zinc/38/99/38/572389938.db2.gz KONFIOPFJATHES-TTZKWOQHSA-N 0 0 152.237 2.446 10 30 AEEERN C#CCSCc1csc(C)n1 307187641 572390033 /nfs/dbraw/zinc/39/00/33/572390033.db2.gz AFUVGJDLDBGEGN-UHFFFAOYSA-N 0 0 183.301 2.318 10 30 AEEERN Nc1ncccc1C#Cc1ccccc1 238700561 572390068 /nfs/dbraw/zinc/39/00/68/572390068.db2.gz WSDGSSSZWCXFNU-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN CC(=NN(C)C)c1cccc(C)c1 393725156 572390295 /nfs/dbraw/zinc/39/02/95/572390295.db2.gz XAGNKWOSJDXFKI-UHFFFAOYSA-N 0 0 176.263 2.281 10 30 AEEERN C=CCCC[C@@H](O)[C@H]1CCCCC1=O 238701091 572390314 /nfs/dbraw/zinc/39/03/14/572390314.db2.gz ZGWMUNSZWKMZQQ-GHMZBOCLSA-N 0 0 196.290 2.463 10 30 AEEERN C=CCCC[C@@H](O)[C@@H]1CCC=CC1=O 238701038 572390339 /nfs/dbraw/zinc/39/03/39/572390339.db2.gz IFMXXCOGGUWCDN-WDEREUQCSA-N 0 0 194.274 2.239 10 30 AEEERN C=CC[C@H]1C[C@H](CCC)NC(=O)O1 238229896 572390725 /nfs/dbraw/zinc/39/07/25/572390725.db2.gz SSLNQOOQRDNFTK-IUCAKERBSA-N 0 0 183.251 2.230 10 30 AEEERN CCCCC(=O)[C@@H]1O[C@@H]1CCC 238227608 572390806 /nfs/dbraw/zinc/39/08/06/572390806.db2.gz WAWZWLJHAPDTOC-ZJUUUORDSA-N 0 0 170.252 2.313 10 30 AEEERN CCCC(=O)C=C(O)C=C(C)C 238226976 572390892 /nfs/dbraw/zinc/39/08/92/572390892.db2.gz YLFSBUSARBDBBN-UHFFFAOYSA-N 0 0 168.236 2.281 10 30 AEEERN CC1=CCC(=O)C=CCC1 238227364 572391030 /nfs/dbraw/zinc/39/10/30/572391030.db2.gz JMKFJOMIXMBDCR-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CCCCCC[C@H]1CC(=CO)C(=O)O1 238226950 572391169 /nfs/dbraw/zinc/39/11/69/572391169.db2.gz ONBJZHHBCOJZKZ-UWVGGRQHSA-N 0 0 198.262 2.087 10 30 AEEERN C=C1[C@H]2CCC[C@]23CC=C[C@H](O)[C@H]13 307206718 572392486 /nfs/dbraw/zinc/39/24/86/572392486.db2.gz HXHRUHODBCAQDG-RHYQMDGZSA-N 0 0 176.259 2.280 10 30 AEEERN CC(C)(C)SCC[C@@H](C#N)CO 308007357 572391554 /nfs/dbraw/zinc/39/15/54/572391554.db2.gz NEZMFJBYOPRHGM-QMMMGPOBSA-N 0 0 187.308 2.040 10 30 AEEERN C=C1[C@H]2CC[C@@](C)([C@H]1O)C2(C)C 307102394 572391594 /nfs/dbraw/zinc/39/15/94/572391594.db2.gz IECBJRKCQTWFMJ-YWVKMMECSA-N 0 0 166.264 2.360 10 30 AEEERN CCCCC(=O)[C@@H]1O[C@H]1C(C)C 238227627 572391640 /nfs/dbraw/zinc/39/16/40/572391640.db2.gz RLAXSSSOMMQSSD-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN C#CCOc1cccc(C=O)c1Cl 307150289 572391670 /nfs/dbraw/zinc/39/16/70/572391670.db2.gz UAIYCQCFDSOCHE-UHFFFAOYSA-N 0 0 194.617 2.165 10 30 AEEERN CC(=O)C(C)(C)[C@@H](CC=O)C(C)C 238227472 572391766 /nfs/dbraw/zinc/39/17/66/572391766.db2.gz QNQMENZRFGSTDE-JTQLQIEISA-N 0 0 184.279 2.463 10 30 AEEERN C=C[C@H](NC)c1ncccc1Cl 234432950 572391794 /nfs/dbraw/zinc/39/17/94/572391794.db2.gz KZINIJLSIGZWGG-QMMMGPOBSA-N 0 0 182.654 2.182 10 30 AEEERN C=C[C@H](O)CC1=C[C@H]2CC[C@@H]1C2 307251697 572391838 /nfs/dbraw/zinc/39/18/38/572391838.db2.gz QUKUEWWODMJZET-NGZCFLSTSA-N 0 0 164.248 2.280 10 30 AEEERN Cc1cc(C#CCCO)c(C)cc1F 307211383 572391908 /nfs/dbraw/zinc/39/19/08/572391908.db2.gz NQYBMYIXGMMEOV-UHFFFAOYSA-N 0 0 192.233 2.176 10 30 AEEERN CCCCC(=O)[C@@]1(CCC)CO1 238227871 572392949 /nfs/dbraw/zinc/39/29/49/572392949.db2.gz IFPOFZQVEKMKKJ-SNVBAGLBSA-N 0 0 170.252 2.315 10 30 AEEERN C=C(C)[C@@]12CC[C@@H](O)[C@@H]1[C@@H]2CC 307226588 572392128 /nfs/dbraw/zinc/39/21/28/572392128.db2.gz VQSQLUKSKKTHGF-ZRUFSTJUSA-N 0 0 166.264 2.360 10 30 AEEERN CCC[C@@H](C=O)CCOCC 238227284 572392215 /nfs/dbraw/zinc/39/22/15/572392215.db2.gz PSAKCFNWCHVDNR-SECBINFHSA-N 0 0 158.241 2.028 10 30 AEEERN O=CC[C@@H]1CCCC[C@H]1C/C=N/O 238708110 572392355 /nfs/dbraw/zinc/39/23/55/572392355.db2.gz BNVUECQADKQEJE-FUYRDSRRSA-N 0 0 183.251 2.232 10 30 AEEERN C#C[C@@H](CCCCCO)C(C)C 238228333 572392431 /nfs/dbraw/zinc/39/24/31/572392431.db2.gz SIUBXMCDDWXTJV-NSHDSACASA-N 0 0 168.280 2.445 10 30 AEEERN C[C@H](NCC#CC(C)(C)C)C(F)F 307237792 572392600 /nfs/dbraw/zinc/39/26/00/572392600.db2.gz OKXCKLUPIJITQB-QMMMGPOBSA-N 0 0 189.249 2.279 10 30 AEEERN C=C[C@@H]1CC[C@H](C=C)[C@]12CC[C@@H](O)O2 307125688 572393073 /nfs/dbraw/zinc/39/30/73/572393073.db2.gz CFEBVNXEFHQMLD-WHOHXGKFSA-N 0 0 194.274 2.252 10 30 AEEERN CCCCC(=O)[C@@H]1O[C@H]1CCC 238227643 572393080 /nfs/dbraw/zinc/39/30/80/572393080.db2.gz WAWZWLJHAPDTOC-UWVGGRQHSA-N 0 0 170.252 2.313 10 30 AEEERN CC#C[C@]1(O)CCCCC1(C)C 307274198 572393231 /nfs/dbraw/zinc/39/32/31/572393231.db2.gz MNHWRYOODNPLFA-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=CCOCCCC(=O)CCC 238227912 572393329 /nfs/dbraw/zinc/39/33/29/572393329.db2.gz ZJXDNYOMAHBVBQ-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C=C(C)[C@@H](CCC(N)=O)C(C)C 238227907 572393473 /nfs/dbraw/zinc/39/34/73/572393473.db2.gz QEHHZHMNMIXYAU-SECBINFHSA-N 0 0 169.268 2.100 10 30 AEEERN C=C(C)CC(=O)N1C[C@@H](C)[C@@H](C)C1 307262081 572393550 /nfs/dbraw/zinc/39/35/50/572393550.db2.gz RAWKGFXOCDJWKW-AOOOYVTPSA-N 0 0 181.279 2.067 10 30 AEEERN CCCCCC[C@H]1CC(=CO)C(=O)O1 238227234 572393735 /nfs/dbraw/zinc/39/37/35/572393735.db2.gz ONBJZHHBCOJZKZ-ZJUUUORDSA-N 0 0 198.262 2.087 10 30 AEEERN CC(C)[C@H](CC=O)c1cccn1C 238227644 572393810 /nfs/dbraw/zinc/39/38/10/572393810.db2.gz AHPBLKVGMXHTKN-JTQLQIEISA-N 0 0 179.263 2.354 10 30 AEEERN CC(C)(C)SCC[C@H](C#N)CO 308007356 572393818 /nfs/dbraw/zinc/39/38/18/572393818.db2.gz NEZMFJBYOPRHGM-MRVPVSSYSA-N 0 0 187.308 2.040 10 30 AEEERN C=C(C)CC(=O)Nc1ncc(C)s1 307294002 572394186 /nfs/dbraw/zinc/39/41/86/572394186.db2.gz CHUHDUHMMZHONR-UHFFFAOYSA-N 0 0 196.275 2.356 10 30 AEEERN C=C1[C@H](C(C)(C)C)[C@H]1[C@H](C)O 307261058 572394282 /nfs/dbraw/zinc/39/42/82/572394282.db2.gz ONSRSWZWDNCUDI-YIZRAAEISA-N 0 0 154.253 2.216 10 30 AEEERN C=C(C)CC(=O)N1CCC[C@@H](C)C1 307222800 572394444 /nfs/dbraw/zinc/39/44/44/572394444.db2.gz RGFVUDRGBCKXGK-SNVBAGLBSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCSCCCOC(C)=O 308007182 572394543 /nfs/dbraw/zinc/39/45/43/572394543.db2.gz DQCFFGQYMOZKON-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C#CC#C[C@H](O)CCCCCCC 238229843 572394576 /nfs/dbraw/zinc/39/45/76/572394576.db2.gz SQAISCPOKKEHKK-LBPRGKRZSA-N 0 0 178.275 2.344 10 30 AEEERN CCC[C@H](CCO)C1=CC(=O)CCC1 238226855 572394901 /nfs/dbraw/zinc/39/49/01/572394901.db2.gz AVNMSODQHJXQKP-SNVBAGLBSA-N 0 0 196.290 2.465 10 30 AEEERN CCC(=O)[C@H](C)SCCC#N 238231096 572394975 /nfs/dbraw/zinc/39/49/75/572394975.db2.gz MBLUSEGDVZULHG-ZETCQYMHSA-N 0 0 171.265 2.001 10 30 AEEERN CCCCC(=O)[C@H]1O[C@H]1CCC 238229050 572395011 /nfs/dbraw/zinc/39/50/11/572395011.db2.gz WAWZWLJHAPDTOC-VHSXEESVSA-N 0 0 170.252 2.313 10 30 AEEERN CCCCCC[C@](C)(O)C#C[C@@H](C)O 238229364 572395036 /nfs/dbraw/zinc/39/50/36/572395036.db2.gz PGFFHVWQYQJYGP-NEPJUHHUSA-N 0 0 198.306 2.092 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H](C)SC 308009712 572395086 /nfs/dbraw/zinc/39/50/86/572395086.db2.gz LJKIBMQLPNDSAP-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN C=CCCOc1cc(O)cc(C#N)c1 238708410 572395284 /nfs/dbraw/zinc/39/52/84/572395284.db2.gz NPRFKOVUDKSMKQ-UHFFFAOYSA-N 0 0 189.214 2.219 10 30 AEEERN C=C(C)[C@](C)(O)[C@@H]1CC1(C)C 307196995 572395333 /nfs/dbraw/zinc/39/53/33/572395333.db2.gz QFJMTIUHPXMDHB-SCZZXKLOSA-N 0 0 154.253 2.360 10 30 AEEERN CCCCC(=O)[C@H]1O[C@H]1C(C)C 238229034 572395373 /nfs/dbraw/zinc/39/53/73/572395373.db2.gz RLAXSSSOMMQSSD-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN CCCCC(=O)[C@]1(CCC)CO1 238229213 572395616 /nfs/dbraw/zinc/39/56/16/572395616.db2.gz IFPOFZQVEKMKKJ-JTQLQIEISA-N 0 0 170.252 2.315 10 30 AEEERN CCCCCCC[C@@H]1COC[C@H]1O 238231075 572395630 /nfs/dbraw/zinc/39/56/30/572395630.db2.gz GMYLGCLRQYLBJV-GHMZBOCLSA-N 0 0 186.295 2.354 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H](C)SC 308009701 572395675 /nfs/dbraw/zinc/39/56/75/572395675.db2.gz LJKIBMQLPNDSAP-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN CCCCCC[C@](C)(O)C#C[C@H](C)O 238229374 572396373 /nfs/dbraw/zinc/39/63/73/572396373.db2.gz PGFFHVWQYQJYGP-RYUDHWBXSA-N 0 0 198.306 2.092 10 30 AEEERN C=C(C)CNN=C(CC)C1CC1 308009558 572396742 /nfs/dbraw/zinc/39/67/42/572396742.db2.gz FNQWVFHAJYQQPT-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCSCCC1OCCCO1 308008777 572396859 /nfs/dbraw/zinc/39/68/59/572396859.db2.gz OBGDNARGXMNJQM-UHFFFAOYSA-N 0 0 188.292 2.059 10 30 AEEERN CCCCC(=O)[C@H]1O[C@@H]1C(C)C 238229000 572396907 /nfs/dbraw/zinc/39/69/07/572396907.db2.gz RLAXSSSOMMQSSD-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN C=C[C@](C)(C=O)COCCCC 238231087 572396926 /nfs/dbraw/zinc/39/69/26/572396926.db2.gz AOQMIALAIHAJCS-SNVBAGLBSA-N 0 0 170.252 2.194 10 30 AEEERN CCC(C)(C)C=NOCCOC 308008399 572397131 /nfs/dbraw/zinc/39/71/31/572397131.db2.gz FBWMUFIZOXJESZ-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN CCc1cccc(C=NO)c1 687823639 572397254 /nfs/dbraw/zinc/39/72/54/572397254.db2.gz HAMUBXWKBIMZKY-UHFFFAOYSA-N 0 0 149.193 2.057 10 30 AEEERN C=C(CC)NC(=O)NCCCC 238229313 572398014 /nfs/dbraw/zinc/39/80/14/572398014.db2.gz PMKXUYUETYCKKV-UHFFFAOYSA-N 0 0 170.256 2.009 10 30 AEEERN CC(C)[C@@H](C=O)CC[C@@H](C)C=O 238229841 572398029 /nfs/dbraw/zinc/39/80/29/572398029.db2.gz ICWAZRIOOMUOIP-NXEZZACHSA-N 0 0 170.252 2.073 10 30 AEEERN C=CC[C@H](O)CCCC[C@@H](O)CC=C 238702058 572398075 /nfs/dbraw/zinc/39/80/75/572398075.db2.gz OGDZRGVGQFPGGY-RYUDHWBXSA-N 0 0 198.306 2.421 10 30 AEEERN N#CCC[C@@H](CO)c1ccccc1 238701777 572398084 /nfs/dbraw/zinc/39/80/84/572398084.db2.gz HVZQSFBOZONVQT-NSHDSACASA-N 0 0 175.231 2.066 10 30 AEEERN N#CC[C@H](O)CCCc1ccccc1 238702372 572398242 /nfs/dbraw/zinc/39/82/42/572398242.db2.gz OGAVQRDPOBHDKP-GFCCVEGCSA-N 0 0 189.258 2.284 10 30 AEEERN C=C[C@H](O)CCCc1ccco1 238702421 572398252 /nfs/dbraw/zinc/39/82/52/572398252.db2.gz XSEATSXAKWUFMV-VIFPVBQESA-N 0 0 166.220 2.149 10 30 AEEERN N#Cc1ccccc1-c1cccnc1N 238702234 572398255 /nfs/dbraw/zinc/39/82/55/572398255.db2.gz STVZSYMDGSBOHJ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CCn1ccc(-c2ccco2)n1 307136391 572398428 /nfs/dbraw/zinc/39/84/28/572398428.db2.gz UMIMYXVAVDITCR-UHFFFAOYSA-N 0 0 174.203 2.329 10 30 AEEERN C=C=CC[C@H](O)C#Cc1ccccc1 307200531 572398578 /nfs/dbraw/zinc/39/85/78/572398578.db2.gz DIUIPBRGISSULN-ZDUSSCGKSA-N 0 0 184.238 2.130 10 30 AEEERN CCCCC(C#N)(C#N)CC(C)=O 238231306 572398646 /nfs/dbraw/zinc/39/86/46/572398646.db2.gz CNDSUPAUUCLZPB-UHFFFAOYSA-N 0 0 178.235 2.189 10 30 AEEERN C#C[C@H](O)CCCCCC=C 238701604 572398705 /nfs/dbraw/zinc/39/87/05/572398705.db2.gz ULKXRGDXZABXBE-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN C=C(C)[C@@H](NN)c1csc(C)c1 307121444 572398843 /nfs/dbraw/zinc/39/88/43/572398843.db2.gz UMLPRMLQURKLKD-SECBINFHSA-N 0 0 182.292 2.137 10 30 AEEERN CCCCCCC[C@@H](O)C1(O)CC1 238230061 572399290 /nfs/dbraw/zinc/39/92/90/572399290.db2.gz XHPWIZVOXVZIQG-SNVBAGLBSA-N 0 0 186.295 2.233 10 30 AEEERN CCCCCC[C@H](C)/C(N)=N/O 308013317 572399321 /nfs/dbraw/zinc/39/93/21/572399321.db2.gz QDSIHYGSQBKMHS-QMMMGPOBSA-N 0 0 172.272 2.339 10 30 AEEERN C=C[C@H]1CCC[C@H]1/C=C/CO 307299587 572399450 /nfs/dbraw/zinc/39/94/50/572399450.db2.gz VDAXOHXQXUUPII-HKNWZPKJSA-N 0 0 152.237 2.137 10 30 AEEERN C=C[C@@H](NC)c1ncccc1Cl 234435388 572399463 /nfs/dbraw/zinc/39/94/63/572399463.db2.gz KZINIJLSIGZWGG-MRVPVSSYSA-N 0 0 182.654 2.182 10 30 AEEERN CCCCCCC[C@H]1C=CC(=O)N1 238231296 572401422 /nfs/dbraw/zinc/40/14/22/572401422.db2.gz JZBVIUQEBBNYQL-JTQLQIEISA-N 0 0 181.279 2.402 10 30 AEEERN CC(C)(C)S/C=C/C#CCO 208640827 572399586 /nfs/dbraw/zinc/39/95/86/572399586.db2.gz VQUGGUFPPQXTDW-SOFGYWHQSA-N 0 0 170.277 2.028 10 30 AEEERN C#CCN1CCSC12CCCCC2 307295937 572401435 /nfs/dbraw/zinc/40/14/35/572401435.db2.gz NYGOKYGRHDGIAE-UHFFFAOYSA-N 0 0 195.331 2.329 10 30 AEEERN C=C(COC)[C@]1(O)CCC(C)(C)C1 307246352 572399837 /nfs/dbraw/zinc/39/98/37/572399837.db2.gz XUAQPHSJYPBTPD-NSHDSACASA-N 0 0 184.279 2.130 10 30 AEEERN C=C[C@@](C)(C=O)COCCCC 238230318 572399865 /nfs/dbraw/zinc/39/98/65/572399865.db2.gz AOQMIALAIHAJCS-JTQLQIEISA-N 0 0 170.252 2.194 10 30 AEEERN C=CCSC/C=C(/C)C(=O)OC 308013922 572399960 /nfs/dbraw/zinc/39/99/60/572399960.db2.gz QMWZUSNVQKLSKT-YVMONPNESA-N 0 0 186.276 2.025 10 30 AEEERN CCCCCC[C@@H](C)/C(N)=N/O 308013306 572399975 /nfs/dbraw/zinc/39/99/75/572399975.db2.gz QDSIHYGSQBKMHS-MRVPVSSYSA-N 0 0 172.272 2.339 10 30 AEEERN CCC[C@]1(CC)CC[C@@H](C=O)O1 308014731 572400084 /nfs/dbraw/zinc/40/00/84/572400084.db2.gz GYDASHNUTLTEHD-VHSXEESVSA-N 0 0 170.252 2.313 10 30 AEEERN CCCCC[C@H](C=O)[C@H](C)C=O 238231130 572400148 /nfs/dbraw/zinc/40/01/48/572400148.db2.gz BYTLDZXGSBUEHF-NXEZZACHSA-N 0 0 170.252 2.217 10 30 AEEERN C=C(C(=O)CC)[C@@H](O)CCCC 238231606 572400259 /nfs/dbraw/zinc/40/02/59/572400259.db2.gz UYVXCTUUBBNTTP-JTQLQIEISA-N 0 0 170.252 2.073 10 30 AEEERN CCCCCCC[C@@](C)(CO)NO 238231875 572400358 /nfs/dbraw/zinc/40/03/58/572400358.db2.gz LNAKCOULIVMYCB-JTQLQIEISA-N 0 0 189.299 2.077 10 30 AEEERN C=CCN(CC)c1cc(Cl)ncn1 238231314 572400407 /nfs/dbraw/zinc/40/04/07/572400407.db2.gz XCBPKGPFPOFWGC-UHFFFAOYSA-N 0 0 197.669 2.142 10 30 AEEERN CC(C)[C@@H](C=O)CC[C@H](C)C=O 238230058 572400562 /nfs/dbraw/zinc/40/05/62/572400562.db2.gz ICWAZRIOOMUOIP-VHSXEESVSA-N 0 0 170.252 2.073 10 30 AEEERN CCC[C@]1(CC)CC[C@H](C=O)O1 308014727 572400627 /nfs/dbraw/zinc/40/06/27/572400627.db2.gz GYDASHNUTLTEHD-NXEZZACHSA-N 0 0 170.252 2.313 10 30 AEEERN CC(C)(C)NN=C[C@@H]1CCSC1 308013736 572401066 /nfs/dbraw/zinc/40/10/66/572401066.db2.gz GUFHMBSCYCHJCB-QMMMGPOBSA-N 0 0 186.324 2.113 10 30 AEEERN CCCCCCC[C@@H]1OCC1=O 238231481 572401129 /nfs/dbraw/zinc/40/11/29/572401129.db2.gz BMDPDYCSDVJPQY-JTQLQIEISA-N 0 0 170.252 2.315 10 30 AEEERN C#CC[C@H](O)[C@@H]1CCCC[C@H]1C 307250572 572401218 /nfs/dbraw/zinc/40/12/18/572401218.db2.gz PNHARBCZBKCUSB-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN CSC1CCC(N[C@@H](C)C#N)CC1 235026852 572401251 /nfs/dbraw/zinc/40/12/51/572401251.db2.gz WJFDWFUKJLWSQW-IDKOKCKLSA-N 0 0 198.335 2.162 10 30 AEEERN C=C1[C@@H](C[C@@H](C)O)[C@]1(C)CC 307293141 572401266 /nfs/dbraw/zinc/40/12/66/572401266.db2.gz BVSZWSCEARSHIY-SZEHBUNVSA-N 0 0 154.253 2.360 10 30 AEEERN CCCC1CN([C@](C)(C#N)CC)C1 308014810 572401534 /nfs/dbraw/zinc/40/15/34/572401534.db2.gz FOAZLWDGLFYJCA-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CCCCOC[C@@](Cl)(C=O)CC 238231114 572401546 /nfs/dbraw/zinc/40/15/46/572401546.db2.gz HONSMSGNJLOLCY-VIFPVBQESA-N 0 0 192.686 2.390 10 30 AEEERN CCC[C@@]1(CC)CC[C@H](C=O)O1 308014733 572401859 /nfs/dbraw/zinc/40/18/59/572401859.db2.gz GYDASHNUTLTEHD-ZJUUUORDSA-N 0 0 170.252 2.313 10 30 AEEERN CCCC1CN([C@@](C)(C#N)CC)C1 308014808 572401906 /nfs/dbraw/zinc/40/19/06/572401906.db2.gz FOAZLWDGLFYJCA-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)NN=C[C@H]1CCSC1 308013729 572401928 /nfs/dbraw/zinc/40/19/28/572401928.db2.gz GUFHMBSCYCHJCB-MRVPVSSYSA-N 0 0 186.324 2.113 10 30 AEEERN CCCCC(C#N)(CCCC)C(N)=O 238231610 572401964 /nfs/dbraw/zinc/40/19/64/572401964.db2.gz RDHKHHKLVKWTSD-UHFFFAOYSA-N 0 0 196.294 2.362 10 30 AEEERN C=C[C@H](C)[C@H]1CCC=C[C@H]1O 307266104 572405877 /nfs/dbraw/zinc/40/58/77/572405877.db2.gz ZGXJYHQAQPZMJV-IVZWLZJFSA-N 0 0 152.237 2.136 10 30 AEEERN C=CCSC/C=C(\C)C(=O)OC 308013921 572402476 /nfs/dbraw/zinc/40/24/76/572402476.db2.gz QMWZUSNVQKLSKT-VMPITWQZSA-N 0 0 186.276 2.025 10 30 AEEERN C=C[C@H](C)C[C@@H](C)C(C)=O 307222184 572402808 /nfs/dbraw/zinc/40/28/08/572402808.db2.gz YPRNPQSXRKIGLK-JGVFFNPUSA-N 0 0 140.226 2.424 10 30 AEEERN CC#C[C@@]1(O)CCCCC1(C)C 307274197 572403018 /nfs/dbraw/zinc/40/30/18/572403018.db2.gz MNHWRYOODNPLFA-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN N#C[C@@]1(Cc2ccccc2)CCCC1=O 83776693 572404842 /nfs/dbraw/zinc/40/48/42/572404842.db2.gz ZVOVEFFEWRJNOK-ZDUSSCGKSA-N 0 0 199.253 2.492 10 30 AEEERN CC[C@](C)(C#N)CCCOC 83775881 572406243 /nfs/dbraw/zinc/40/62/43/572406243.db2.gz MOTRNVQYXRFZDH-VIFPVBQESA-N 0 0 155.241 2.353 10 30 AEEERN CCCCC[C@H](C)[C@@H](C=O)CO 238230566 572403161 /nfs/dbraw/zinc/40/31/61/572403161.db2.gz HJASIKNOTIMBER-UWVGGRQHSA-N 0 0 172.268 2.010 10 30 AEEERN CCC[C@@](C)(O)CCCCC=O 238230721 572403205 /nfs/dbraw/zinc/40/32/05/572403205.db2.gz MKZZJMZBYZAGEJ-SNVBAGLBSA-N 0 0 172.268 2.297 10 30 AEEERN CCCCC[C@H](C)[C@H](C=O)CO 238230457 572403248 /nfs/dbraw/zinc/40/32/48/572403248.db2.gz HJASIKNOTIMBER-VHSXEESVSA-N 0 0 172.268 2.010 10 30 AEEERN C=C(CC)C[C@@H](O)[C@]1(C)CCCO1 87227073 572403326 /nfs/dbraw/zinc/40/33/26/572403326.db2.gz QGFMPOCXGRZECH-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN C=CCCNc1nc(C)c(C)nc1C 307266291 572403648 /nfs/dbraw/zinc/40/36/48/572403648.db2.gz ZWGPGUXFCOZSAV-UHFFFAOYSA-N 0 0 191.278 2.390 10 30 AEEERN C=C(CC)C[C@H](O)[C@]1(C)CCCO1 87227072 572403727 /nfs/dbraw/zinc/40/37/27/572403727.db2.gz QGFMPOCXGRZECH-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN CCCCO[C@@H](C)C#C[C@@H](O)CCC 238232075 572408334 /nfs/dbraw/zinc/40/83/34/572408334.db2.gz JSBPWGRTPORBHH-RYUDHWBXSA-N 0 0 198.306 2.356 10 30 AEEERN CC#CC[C@H](O)[C@@H](C)C(C)(C)C 307219904 572404026 /nfs/dbraw/zinc/40/40/26/572404026.db2.gz WRELPJNEPDOICP-ZJUUUORDSA-N 0 0 168.280 2.443 10 30 AEEERN C=C1CC[C@@H]2[C@@H]1[C@]1(C)CC[C@H](O)[C@@H]21 307234365 572404212 /nfs/dbraw/zinc/40/42/12/572404212.db2.gz DOIFQTYGRBMKTO-ROHXPCBUSA-N 0 0 178.275 2.360 10 30 AEEERN CCCCC[C@@]1(C#N)CCOC1 83776313 572404253 /nfs/dbraw/zinc/40/42/53/572404253.db2.gz WMRJCGOITAOIEH-JTQLQIEISA-N 0 0 167.252 2.497 10 30 AEEERN CCCCOCC[C@@](C)(C#N)C(C)=O 83776871 572404274 /nfs/dbraw/zinc/40/42/74/572404274.db2.gz ISTUWRHWPICMKB-NSHDSACASA-N 0 0 197.278 2.312 10 30 AEEERN CCc1cc(CC#N)ccc1CC#N 44369210 572404281 /nfs/dbraw/zinc/40/42/81/572404281.db2.gz IIZGAPKDKLVLGS-UHFFFAOYSA-N 0 0 184.242 2.381 10 30 AEEERN COCCC[C@]1(C#N)CCCCC1=O 83776619 572404306 /nfs/dbraw/zinc/40/43/06/572404306.db2.gz DAHSBBPCGXBLBT-NSHDSACASA-N 0 0 195.262 2.066 10 30 AEEERN CCOCCC[C@]1(C#N)CCCC1=O 83776673 572404351 /nfs/dbraw/zinc/40/43/51/572404351.db2.gz HMMNWLBXDQMMFD-NSHDSACASA-N 0 0 195.262 2.066 10 30 AEEERN C=C(CC)CC(=O)[C@@]1(C)CCCO1 87226825 572404367 /nfs/dbraw/zinc/40/43/67/572404367.db2.gz HNGDLMIZRLRCHU-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN CCC[C@@H](/C=C(\C)C(C)=O)OC 117101761 572404483 /nfs/dbraw/zinc/40/44/83/572404483.db2.gz JPOPZYTZSZYBNH-JARNTUPDSA-N 0 0 170.252 2.337 10 30 AEEERN C=CCCC[C@@H](O)[C@]1(C)CCCO1 87227527 572404548 /nfs/dbraw/zinc/40/45/48/572404548.db2.gz YDYMVWIMVMTYIO-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN N#CCC1=Cc2ccccc21 44368565 572404583 /nfs/dbraw/zinc/40/45/83/572404583.db2.gz PXUXWXKAUSYXAC-UHFFFAOYSA-N 0 0 141.173 2.454 10 30 AEEERN CC(=O)[C@](C)(C#N)CC[C@H]1CCCO1 83776947 572404590 /nfs/dbraw/zinc/40/45/90/572404590.db2.gz PAHGHZZJQJXBJX-MNOVXSKESA-N 0 0 195.262 2.064 10 30 AEEERN CCC[C@H](C=O)CCOCC 238795589 572409692 /nfs/dbraw/zinc/40/96/92/572409692.db2.gz PSAKCFNWCHVDNR-VIFPVBQESA-N 0 0 158.241 2.028 10 30 AEEERN CCOCC[C@@]1(C#N)CCCCC1=O 83776565 572404771 /nfs/dbraw/zinc/40/47/71/572404771.db2.gz OLNREFSDWPJXIO-LLVKDONJSA-N 0 0 195.262 2.066 10 30 AEEERN N#C[C@]1(Cc2ccccc2)CCCC1=O 83776694 572404845 /nfs/dbraw/zinc/40/48/45/572404845.db2.gz ZVOVEFFEWRJNOK-CYBMUJFWSA-N 0 0 199.253 2.492 10 30 AEEERN CCOCC[C@](C)(C#N)CC 83775738 572404891 /nfs/dbraw/zinc/40/48/91/572404891.db2.gz COARRJUHDUHNBY-SECBINFHSA-N 0 0 155.241 2.353 10 30 AEEERN CCOCCCC1(C#N)CCC1 83775964 572404911 /nfs/dbraw/zinc/40/49/11/572404911.db2.gz LHJIZSFALKGGRL-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN C=CCC(=O)COCc1ccccc1 307264903 572404961 /nfs/dbraw/zinc/40/49/61/572404961.db2.gz AYLPGDXGKLCMJR-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN CCOCCC1(C#N)CCCC1 83775632 572405005 /nfs/dbraw/zinc/40/50/05/572405005.db2.gz AJBITJJYGDCXRM-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN Cc1cc(C#N)cc(C)c1CC#N 44369915 572405063 /nfs/dbraw/zinc/40/50/63/572405063.db2.gz HTBAKBOMHPCLFJ-UHFFFAOYSA-N 0 0 170.215 2.241 10 30 AEEERN CCCC(C#N)C(=O)[C@@]1(C)CCCO1 87230229 572408028 /nfs/dbraw/zinc/40/80/28/572408028.db2.gz ACWVONMOQHCCNT-MWLCHTKSSA-N 0 0 195.262 2.064 10 30 AEEERN CCOCC[C@@](C)(C#N)CC 83775737 572405137 /nfs/dbraw/zinc/40/51/37/572405137.db2.gz COARRJUHDUHNBY-VIFPVBQESA-N 0 0 155.241 2.353 10 30 AEEERN Cc1cc(CC#N)c(F)cc1CC#N 44368905 572405158 /nfs/dbraw/zinc/40/51/58/572405158.db2.gz NXHFCCUAPONCHH-UHFFFAOYSA-N 0 0 188.205 2.266 10 30 AEEERN Cc1cc(F)c(CC#N)cc1CC#N 44368757 572405176 /nfs/dbraw/zinc/40/51/76/572405176.db2.gz AXHDNAUNDSQBSZ-UHFFFAOYSA-N 0 0 188.205 2.266 10 30 AEEERN N#CCCc1ccc(CC#N)cc1F 44368318 572405227 /nfs/dbraw/zinc/40/52/27/572405227.db2.gz ITHOMTNBJLWFNT-UHFFFAOYSA-N 0 0 188.205 2.348 10 30 AEEERN CCCCOCC[C@@]1(C#N)CCOC1 83776409 572405232 /nfs/dbraw/zinc/40/52/32/572405232.db2.gz LJACTVMLXGQOAE-NSHDSACASA-N 0 0 197.278 2.123 10 30 AEEERN CCOCCCC1(C#N)CCOCC1 83776257 572405288 /nfs/dbraw/zinc/40/52/88/572405288.db2.gz AERRQLUPZCSMRI-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN Cc1cc(CC#N)c(CC#N)cc1F 44369083 572405319 /nfs/dbraw/zinc/40/53/19/572405319.db2.gz XVOLFSFKEOMZFH-UHFFFAOYSA-N 0 0 188.205 2.266 10 30 AEEERN C=CC[C@](C)(O)C[C@@H](O)CCCC 238234091 572405351 /nfs/dbraw/zinc/40/53/51/572405351.db2.gz BHALASGXYOZYKG-QWRGUYRKSA-N 0 0 186.295 2.255 10 30 AEEERN C=CCCC[C@H](O)[C@@]1(C)CCCO1 87227528 572405376 /nfs/dbraw/zinc/40/53/76/572405376.db2.gz YDYMVWIMVMTYIO-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN N#CCc1ccc(-c2cc[nH]n2)cc1 44368634 572405388 /nfs/dbraw/zinc/40/53/88/572405388.db2.gz ZQTMJGANMHSNBK-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN CC(C)OCC[C@]1(C#N)CCCC1=O 83776717 572405407 /nfs/dbraw/zinc/40/54/07/572405407.db2.gz FLHKKVYBCKTDEA-NSHDSACASA-N 0 0 195.262 2.064 10 30 AEEERN CCn1cc(C[C@@](C)(C#N)CC)cn1 83775791 572405439 /nfs/dbraw/zinc/40/54/39/572405439.db2.gz GXIAYZSDQCUBKE-NSHDSACASA-N 0 0 191.278 2.385 10 30 AEEERN CO[C@](C)(CC=O)CC(C)C 117108772 572405520 /nfs/dbraw/zinc/40/55/20/572405520.db2.gz ORZZSKIQESMBGT-SECBINFHSA-N 0 0 158.241 2.027 10 30 AEEERN CC(=O)[C@@](C)(C#N)CC[C@@H]1CCCO1 83776946 572405531 /nfs/dbraw/zinc/40/55/31/572405531.db2.gz PAHGHZZJQJXBJX-WDEREUQCSA-N 0 0 195.262 2.064 10 30 AEEERN Cc1cc(CC#N)cc(C)c1N(C)C 44369048 572405588 /nfs/dbraw/zinc/40/55/88/572405588.db2.gz UGIUYSBASHORDB-UHFFFAOYSA-N 0 0 188.274 2.436 10 30 AEEERN N#CCCc1ccc(CC#N)cc1 44368120 572405594 /nfs/dbraw/zinc/40/55/94/572405594.db2.gz IHCOLTXRMSROAI-UHFFFAOYSA-N 0 0 170.215 2.209 10 30 AEEERN CC(C)OCCC1(C#N)CCOCC1 83776279 572405613 /nfs/dbraw/zinc/40/56/13/572405613.db2.gz DLJGQCQREOFKJY-UHFFFAOYSA-N 0 0 197.278 2.122 10 30 AEEERN COCCC[C@@]1(C#N)CCCCC1=O 83776620 572405620 /nfs/dbraw/zinc/40/56/20/572405620.db2.gz DAHSBBPCGXBLBT-LLVKDONJSA-N 0 0 195.262 2.066 10 30 AEEERN CC(C)OCCC1(C#N)CCC1 83775998 572405712 /nfs/dbraw/zinc/40/57/12/572405712.db2.gz IDFDQYFMDGRRQQ-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN Cc1cc(CC#N)ccc1CC#N 44368101 572405740 /nfs/dbraw/zinc/40/57/40/572405740.db2.gz UKTOWEQWGMKINH-UHFFFAOYSA-N 0 0 170.215 2.127 10 30 AEEERN CCCCOCC[C@](C)(C#N)C(C)=O 83776872 572405777 /nfs/dbraw/zinc/40/57/77/572405777.db2.gz ISTUWRHWPICMKB-LLVKDONJSA-N 0 0 197.278 2.312 10 30 AEEERN CCCN(CC#N)C(=O)CCC(C)C 44372647 572405792 /nfs/dbraw/zinc/40/57/92/572405792.db2.gz MTFIHNOYTWPEPD-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC[C@@](C)(/C=C(\C)C(C)=O)OC 117106786 572405881 /nfs/dbraw/zinc/40/58/81/572405881.db2.gz QATXZZDVPWGTOG-JARNTUPDSA-N 0 0 170.252 2.337 10 30 AEEERN C=CC[C@@H](O)c1ncc(C)s1 307249845 572405861 /nfs/dbraw/zinc/40/58/61/572405861.db2.gz KJYPVLPGMJEZRP-SSDOTTSWSA-N 0 0 169.249 2.061 10 30 AEEERN C=CCS[C@@H](C)C(=O)CC 307225873 572405905 /nfs/dbraw/zinc/40/59/05/572405905.db2.gz FEHFIWQJSLALKD-ZETCQYMHSA-N 0 0 158.266 2.273 10 30 AEEERN CCOCC[C@]1(C#N)CCCCC1=O 83776564 572405935 /nfs/dbraw/zinc/40/59/35/572405935.db2.gz OLNREFSDWPJXIO-NSHDSACASA-N 0 0 195.262 2.066 10 30 AEEERN CCn1cc(C[C@](C)(C#N)CC)cn1 83775792 572405966 /nfs/dbraw/zinc/40/59/66/572405966.db2.gz GXIAYZSDQCUBKE-LLVKDONJSA-N 0 0 191.278 2.385 10 30 AEEERN CCCCC[C@H](O)C(C)(C)C=O 117099977 572406053 /nfs/dbraw/zinc/40/60/53/572406053.db2.gz NLDPIJOVXHHSNE-VIFPVBQESA-N 0 0 172.268 2.153 10 30 AEEERN Cc1cnc(Cl)c(CC#N)c1 44370901 572406075 /nfs/dbraw/zinc/40/60/75/572406075.db2.gz OTFZERXGUUBZKG-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN C#C[C@H](O)/C=C/CCc1ccccc1 238718043 572406113 /nfs/dbraw/zinc/40/61/13/572406113.db2.gz VHZYVNYPBUECIJ-HJTPGIPUSA-N 0 0 186.254 2.170 10 30 AEEERN C=C[C@@H](C)[C@@H]1CCC=C[C@@H]1O 307229199 572406136 /nfs/dbraw/zinc/40/61/36/572406136.db2.gz ZGXJYHQAQPZMJV-UTLUCORTSA-N 0 0 152.237 2.136 10 30 AEEERN CC(=O)[C@@](C)(C#N)CC[C@H]1CCCO1 83776948 572406141 /nfs/dbraw/zinc/40/61/41/572406141.db2.gz PAHGHZZJQJXBJX-GHMZBOCLSA-N 0 0 195.262 2.064 10 30 AEEERN O[C@@H](C#Cc1ccoc1)c1ccccc1 238717534 572406142 /nfs/dbraw/zinc/40/61/42/572406142.db2.gz JLBNVAAPHRVXEG-ZDUSSCGKSA-N 0 0 198.221 2.365 10 30 AEEERN CCCCC[C@H](CC=O)OCOC 238232015 572406143 /nfs/dbraw/zinc/40/61/43/572406143.db2.gz GHXILEDWGQNJEV-SNVBAGLBSA-N 0 0 188.267 2.145 10 30 AEEERN CO[C@@](C)(CC=O)CC(C)C 117108768 572406150 /nfs/dbraw/zinc/40/61/50/572406150.db2.gz ORZZSKIQESMBGT-VIFPVBQESA-N 0 0 158.241 2.027 10 30 AEEERN C=CCCCOc1cc(N)ccn1 236351494 572406180 /nfs/dbraw/zinc/40/61/80/572406180.db2.gz YRPZZRWUEXKCMK-UHFFFAOYSA-N 0 0 178.235 2.009 10 30 AEEERN CCOCCC[C@@]1(C#N)CCCC1=O 83776674 572406216 /nfs/dbraw/zinc/40/62/16/572406216.db2.gz HMMNWLBXDQMMFD-LLVKDONJSA-N 0 0 195.262 2.066 10 30 AEEERN Cc1ccc(CC#N)c(CC#N)c1 44368806 572406228 /nfs/dbraw/zinc/40/62/28/572406228.db2.gz GZUKEWQIAFKMRO-UHFFFAOYSA-N 0 0 170.215 2.127 10 30 AEEERN CCC[C@H](C[C@H](C)C=O)C(C)=O 238233608 572406234 /nfs/dbraw/zinc/40/62/34/572406234.db2.gz KXMQRFCGUGPAMP-WCBMZHEXSA-N 0 0 170.252 2.217 10 30 AEEERN C=CCCC[C@H](O)[C@]1(C)CCCO1 87227529 572406247 /nfs/dbraw/zinc/40/62/47/572406247.db2.gz YDYMVWIMVMTYIO-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN CCCCC[C@]1(C#N)CCOC1 83776312 572406346 /nfs/dbraw/zinc/40/63/46/572406346.db2.gz WMRJCGOITAOIEH-SNVBAGLBSA-N 0 0 167.252 2.497 10 30 AEEERN CC[C@@](C)(C#N)CCCOC 83775882 572406393 /nfs/dbraw/zinc/40/63/93/572406393.db2.gz MOTRNVQYXRFZDH-SECBINFHSA-N 0 0 155.241 2.353 10 30 AEEERN CC(C)OCC[C@@]1(C#N)CCCC1=O 83776718 572406403 /nfs/dbraw/zinc/40/64/03/572406403.db2.gz FLHKKVYBCKTDEA-LLVKDONJSA-N 0 0 195.262 2.064 10 30 AEEERN C=C(Cl)COC(=O)/C=C\CC 393542224 572406416 /nfs/dbraw/zinc/40/64/16/572406416.db2.gz HBQOPKQMBNDRCY-PLNGDYQASA-N 0 0 174.627 2.248 10 30 AEEERN COCCCC1(C#N)CCCC1 83775689 572406445 /nfs/dbraw/zinc/40/64/45/572406445.db2.gz RSVPVDCKFRXKHW-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN COCCOCCC1(C#N)CCCC1 83775709 572406466 /nfs/dbraw/zinc/40/64/66/572406466.db2.gz WORQIBJQUWXUOV-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN N#CCc1cc(Cl)cc(CC#N)c1 44368358 572406507 /nfs/dbraw/zinc/40/65/07/572406507.db2.gz DJGRQHPRUJZXQT-UHFFFAOYSA-N 0 0 190.633 2.472 10 30 AEEERN Cc1cc(CC#N)c(C)cc1CC#N 44368105 572406608 /nfs/dbraw/zinc/40/66/08/572406608.db2.gz YECJJNQKDKNSET-UHFFFAOYSA-N 0 0 184.242 2.436 10 30 AEEERN CCC[C@H](/C=C(\C)C(C)=O)OC 117101758 572406646 /nfs/dbraw/zinc/40/66/46/572406646.db2.gz JPOPZYTZSZYBNH-QROSGCPLSA-N 0 0 170.252 2.337 10 30 AEEERN CC#CCC(=O)Cc1cccs1 52900029 572406688 /nfs/dbraw/zinc/40/66/88/572406688.db2.gz AKFRSLDPGBUFIB-UHFFFAOYSA-N 0 0 178.256 2.273 10 30 AEEERN CO[C@@H](/C=C(\C)C(C)=O)C(C)C 117100995 572406721 /nfs/dbraw/zinc/40/67/21/572406721.db2.gz CTVUMGBPEMPRHM-PCGIRMHASA-N 0 0 170.252 2.193 10 30 AEEERN CCCCOCC[C@]1(C#N)CCOC1 83776408 572406787 /nfs/dbraw/zinc/40/67/87/572406787.db2.gz LJACTVMLXGQOAE-LLVKDONJSA-N 0 0 197.278 2.123 10 30 AEEERN C=C(C)[C@@H](O)C1(O)CCCCCC1 307237505 572406979 /nfs/dbraw/zinc/40/69/79/572406979.db2.gz OKSMUAYQEQKNFU-SNVBAGLBSA-N 0 0 184.279 2.009 10 30 AEEERN CCOc1ccc(CC#N)cc1C#N 44369518 572407005 /nfs/dbraw/zinc/40/70/05/572407005.db2.gz KKYYNBSGHVVQRE-UHFFFAOYSA-N 0 0 186.214 2.023 10 30 AEEERN Cc1cc(CC#N)cc(C)c1CC#N 44369581 572407015 /nfs/dbraw/zinc/40/70/15/572407015.db2.gz NHYHCNGMYJPBLP-UHFFFAOYSA-N 0 0 184.242 2.436 10 30 AEEERN C=C(CC)C[C@@H](O)[C@@]1(C)CCCO1 87227075 572407022 /nfs/dbraw/zinc/40/70/22/572407022.db2.gz QGFMPOCXGRZECH-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN C=CCSCC(=O)C(C)C 307266929 572407030 /nfs/dbraw/zinc/40/70/30/572407030.db2.gz HPBIAWUVHJIGPK-UHFFFAOYSA-N 0 0 158.266 2.131 10 30 AEEERN CC(=O)[C@](C)(C#N)CC[C@@H]1CCCO1 83776945 572407031 /nfs/dbraw/zinc/40/70/31/572407031.db2.gz PAHGHZZJQJXBJX-QWRGUYRKSA-N 0 0 195.262 2.064 10 30 AEEERN C=C(C)[C@@H]1C[C@@H](O)[C@H](C)[C@H]1C 307285577 572407176 /nfs/dbraw/zinc/40/71/76/572407176.db2.gz OPAFQWIOXVPFTL-DOLQZWNJSA-N 0 0 154.253 2.216 10 30 AEEERN C=C(C)CNc1nc(C)c(C)nc1C 307235821 572407217 /nfs/dbraw/zinc/40/72/17/572407217.db2.gz DLQVLLMRFQYNOV-UHFFFAOYSA-N 0 0 191.278 2.390 10 30 AEEERN C/C=C\C#CC#C/C=C\[C@H](O)CCC 238785745 572407296 /nfs/dbraw/zinc/40/72/96/572407296.db2.gz GEENZQOWBUUIOA-YSTPZEEGSA-N 0 0 188.270 2.287 10 30 AEEERN C/C=C\C#CC#C/C=C/[C@H](O)CCC 238785747 572407453 /nfs/dbraw/zinc/40/74/53/572407453.db2.gz GEENZQOWBUUIOA-XHZNBJACSA-N 0 0 188.270 2.287 10 30 AEEERN C=C[C@H](C)/C=C\[C@H](O)C(C)C 238770812 572407798 /nfs/dbraw/zinc/40/77/98/572407798.db2.gz XYZNSCZGYWUITB-QTPDZXDFSA-N 0 0 154.253 2.382 10 30 AEEERN C/C=C/C#CC#C/C=C\[C@H](O)CCC 238785748 572407878 /nfs/dbraw/zinc/40/78/78/572407878.db2.gz GEENZQOWBUUIOA-GTQQXXGWSA-N 0 0 188.270 2.287 10 30 AEEERN C[C@@H](CC#N)CC(=O)OC(C)(C)C 76608030 572408313 /nfs/dbraw/zinc/40/83/13/572408313.db2.gz MUYBMKUZWTWRFK-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C[C@H](CC#N)CC(=O)OC(C)(C)C 76608032 572408454 /nfs/dbraw/zinc/40/84/54/572408454.db2.gz MUYBMKUZWTWRFK-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN CCCC[C@@H]1C[C@H](C=O)CCO1 238795193 572408658 /nfs/dbraw/zinc/40/86/58/572408658.db2.gz WSICMQJYNNLERT-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C=C[C@H](CO)Sc1ccccc1 238715455 572408792 /nfs/dbraw/zinc/40/87/92/572408792.db2.gz ABWDIZLDXMAFID-SECBINFHSA-N 0 0 180.272 2.326 10 30 AEEERN CCCC[C@](C)(C#N)CC=O 238795885 572408800 /nfs/dbraw/zinc/40/88/00/572408800.db2.gz MTHNGKDSUCYHDD-VIFPVBQESA-N 0 0 153.225 2.295 10 30 AEEERN CCCCCCC[C@@]1(C=O)CO1 238232207 572408895 /nfs/dbraw/zinc/40/88/95/572408895.db2.gz QMQXVRDPWYMOAC-SNVBAGLBSA-N 0 0 170.252 2.315 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(N)=O 307285475 572409003 /nfs/dbraw/zinc/40/90/03/572409003.db2.gz MJFGKWFJGMHFJQ-KXUCPTDWSA-N 0 0 196.294 2.036 10 30 AEEERN CCC[C@@H](CCO)C1=CC(=O)CCC1 238795556 572409016 /nfs/dbraw/zinc/40/90/16/572409016.db2.gz AVNMSODQHJXQKP-JTQLQIEISA-N 0 0 196.290 2.465 10 30 AEEERN C=C1CCCCC[C@]1(O)[C@@H](O)CC 307271572 572409135 /nfs/dbraw/zinc/40/91/35/572409135.db2.gz NPSFPZRPMMXOFO-WDEREUQCSA-N 0 0 184.279 2.009 10 30 AEEERN CCCC[C@@H]1C[C@@H](C=O)CCO1 238795120 572409231 /nfs/dbraw/zinc/40/92/31/572409231.db2.gz WSICMQJYNNLERT-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN CCCC[C@@H]1O[C@@]1(CO)CCC 238795586 572409439 /nfs/dbraw/zinc/40/94/39/572409439.db2.gz MIODPMNGELXIPM-VHSXEESVSA-N 0 0 172.268 2.107 10 30 AEEERN C=C[C@](CC=O)(CCC)C(=O)OCC 238232237 572409500 /nfs/dbraw/zinc/40/95/00/572409500.db2.gz GJRVUBGUOBLKSO-LLVKDONJSA-N 0 0 198.262 2.111 10 30 AEEERN N#CCc1ccc(O)c(C2(C#N)CC2)c1 238715283 572409515 /nfs/dbraw/zinc/40/95/15/572409515.db2.gz CHPFOXNABRGRRP-UHFFFAOYSA-N 0 0 198.225 2.013 10 30 AEEERN C=C(Cl)[C@H](CO)Oc1ccccc1 238715339 572411221 /nfs/dbraw/zinc/41/12/21/572411221.db2.gz YCSYQCJFYYBARL-JTQLQIEISA-N 0 0 198.649 2.179 10 30 AEEERN CCCC[C@](C)(C#N)CCO 238795898 572409845 /nfs/dbraw/zinc/40/98/45/572409845.db2.gz KZOFLHBIYBAWGM-VIFPVBQESA-N 0 0 155.241 2.089 10 30 AEEERN CCCC[C@@H]1O[C@]1(CO)CCC 238795619 572409858 /nfs/dbraw/zinc/40/98/58/572409858.db2.gz MIODPMNGELXIPM-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN CSC1CCC(N[C@H](C)C#N)CC1 235028427 572409938 /nfs/dbraw/zinc/40/99/38/572409938.db2.gz WJFDWFUKJLWSQW-XNWIYYODSA-N 0 0 198.335 2.162 10 30 AEEERN CCCC(C#N)C(=O)[C@@]1(C)CCCO1 87230228 572410129 /nfs/dbraw/zinc/41/01/29/572410129.db2.gz ACWVONMOQHCCNT-GXSJLCMTSA-N 0 0 195.262 2.064 10 30 AEEERN C=C[C@]1(C)CCC[C@H](C)[C@@H]1O 307217817 572410203 /nfs/dbraw/zinc/41/02/03/572410203.db2.gz CMQXMCLUYJUCBZ-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN CCCC(C#N)C(=O)[C@]1(C)CCCO1 87230226 572410326 /nfs/dbraw/zinc/41/03/26/572410326.db2.gz ACWVONMOQHCCNT-ONGXEEELSA-N 0 0 195.262 2.064 10 30 AEEERN C=C[C@H](CO)SCc1ccccc1 238715446 572410350 /nfs/dbraw/zinc/41/03/50/572410350.db2.gz AKYKRNMWORXRDU-LLVKDONJSA-N 0 0 194.299 2.467 10 30 AEEERN CC#CC[C@@H](O)[C@@H](C)C(C)(C)C 307219901 572410356 /nfs/dbraw/zinc/41/03/56/572410356.db2.gz WRELPJNEPDOICP-NXEZZACHSA-N 0 0 168.280 2.443 10 30 AEEERN C[C@@H](C#N)CCC(=O)OC(C)(C)C 76608027 572410365 /nfs/dbraw/zinc/41/03/65/572410365.db2.gz RTSTZTHFVLNCBV-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(C)[C@@]12CC[C@@H](O)[C@@H]1[C@H]2CC 307226587 572410389 /nfs/dbraw/zinc/41/03/89/572410389.db2.gz VQSQLUKSKKTHGF-CHWFTXMASA-N 0 0 166.264 2.360 10 30 AEEERN C=CC[C@H]1OC(=O)N[C@H]1CCCC 238795328 572410396 /nfs/dbraw/zinc/41/03/96/572410396.db2.gz KLAOZOFUGASLMQ-DTWKUNHWSA-N 0 0 183.251 2.230 10 30 AEEERN C[C@H](C#N)CCC(=O)OC(C)(C)C 76608024 572410460 /nfs/dbraw/zinc/41/04/60/572410460.db2.gz RTSTZTHFVLNCBV-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN CCC(O)=C(C=O)c1cccc(C)c1 238232125 572410520 /nfs/dbraw/zinc/41/05/20/572410520.db2.gz KJOJCGSHZWSKBF-LLVKDONJSA-N 0 0 190.242 2.257 10 30 AEEERN C=CC[C@@](C#N)(CCC)C(C)=O 238232159 572410734 /nfs/dbraw/zinc/41/07/34/572410734.db2.gz DSTDPSFOUOPFLD-JTQLQIEISA-N 0 0 165.236 2.462 10 30 AEEERN C=CC[C@H](CCC)NC(=O)C=C 238795211 572410847 /nfs/dbraw/zinc/41/08/47/572410847.db2.gz CHPLOBRDPJIYCS-SECBINFHSA-N 0 0 167.252 2.033 10 30 AEEERN CCC[C@H](C#N)CC[C@@H](C)O 238795601 572410851 /nfs/dbraw/zinc/41/08/51/572410851.db2.gz UDWWWKKJWLXTGW-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN C#C[C@@](C)(CC)n1cccc1 307227241 572411077 /nfs/dbraw/zinc/41/10/77/572411077.db2.gz WHXQPILPSGBTST-JTQLQIEISA-N 0 0 147.221 2.247 10 30 AEEERN CCC[C@@H](CC=O)ON=C(C)C 238795251 572411090 /nfs/dbraw/zinc/41/10/90/572411090.db2.gz VREMOZGPCUDTMY-VIFPVBQESA-N 0 0 171.240 2.157 10 30 AEEERN CCC[C@@H](CCCC=O)OC 238795349 572411170 /nfs/dbraw/zinc/41/11/70/572411170.db2.gz LGVISFMXXUPFMA-VIFPVBQESA-N 0 0 158.241 2.171 10 30 AEEERN CC(C)[C@@H](O)CC(=O)C1=CCCCC1 238792539 572411182 /nfs/dbraw/zinc/41/11/82/572411182.db2.gz AKEURWLPVFLSHD-NSHDSACASA-N 0 0 196.290 2.463 10 30 AEEERN CC(=Nn1cccc1)c1ccco1 379415870 572413832 /nfs/dbraw/zinc/41/38/32/572413832.db2.gz QIFLRPNJBIEUAG-UHFFFAOYSA-N 0 0 174.203 2.353 10 30 AEEERN C#C[C@@H](C)OC(=O)c1sccc1F 307260682 572411390 /nfs/dbraw/zinc/41/13/90/572411390.db2.gz SYWIYVHDROWBQM-ZCFIWIBFSA-N 0 0 198.218 2.066 10 30 AEEERN CCC[C@H](C#N)CC[C@H](C)O 238795614 572411423 /nfs/dbraw/zinc/41/14/23/572411423.db2.gz UDWWWKKJWLXTGW-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN CCCCO[C@H](C)C#C[C@@H](O)CCC 238234621 572411552 /nfs/dbraw/zinc/41/15/52/572411552.db2.gz JSBPWGRTPORBHH-NEPJUHHUSA-N 0 0 198.306 2.356 10 30 AEEERN CC#C[C@@H](CO)CCCCC 238233059 572411564 /nfs/dbraw/zinc/41/15/64/572411564.db2.gz AZVZYELYPSWEQK-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN C=C[C@H](C=O)[C@@H](C)OCCCC 238235188 572411667 /nfs/dbraw/zinc/41/16/67/572411667.db2.gz OPBWEHUSSHCYAP-NXEZZACHSA-N 0 0 170.252 2.193 10 30 AEEERN CCCC(C#N)C(=O)[C@]1(C)CCCO1 87230227 572411721 /nfs/dbraw/zinc/41/17/21/572411721.db2.gz ACWVONMOQHCCNT-KOLCDFICSA-N 0 0 195.262 2.064 10 30 AEEERN C=CC[C@@H]1OC(=O)N[C@H]1CCCC 238795339 572411731 /nfs/dbraw/zinc/41/17/31/572411731.db2.gz KLAOZOFUGASLMQ-IUCAKERBSA-N 0 0 183.251 2.230 10 30 AEEERN C=C[C@H](C=O)[C@H](C)OCCCC 238232774 572412392 /nfs/dbraw/zinc/41/23/92/572412392.db2.gz OPBWEHUSSHCYAP-VHSXEESVSA-N 0 0 170.252 2.193 10 30 AEEERN CCCCCCc1ncc(C#N)cn1 238232959 572412463 /nfs/dbraw/zinc/41/24/63/572412463.db2.gz XOIYLKRCNVWTTI-UHFFFAOYSA-N 0 0 189.262 2.471 10 30 AEEERN C=CCO/C(C)=C\[C@H](O)C(C)C 238793135 572412677 /nfs/dbraw/zinc/41/26/77/572412677.db2.gz NVVXHVQASUXFNU-RNKPRXRFSA-N 0 0 170.252 2.110 10 30 AEEERN C=C[C@@]1(C)C(=O)C=CC[C@@H]1C 208653760 572412773 /nfs/dbraw/zinc/41/27/73/572412773.db2.gz VZCJNCOKFQJHEA-WCBMZHEXSA-N 0 0 150.221 2.344 10 30 AEEERN C#C/C(=C\CCCCC)CO 238234650 572413065 /nfs/dbraw/zinc/41/30/65/572413065.db2.gz ISVFWLXULZINPQ-CSKARUKUSA-N 0 0 152.237 2.119 10 30 AEEERN C=CC#C[C@](C)(OCCCC)[C@H](C)O 238234320 572413309 /nfs/dbraw/zinc/41/33/09/572413309.db2.gz FYSRTZQWPLVIAQ-RYUDHWBXSA-N 0 0 196.290 2.132 10 30 AEEERN C=C(C)[C@H](O)/C(=C\CCCCC)CO 238234731 572413330 /nfs/dbraw/zinc/41/33/30/572413330.db2.gz RRMMASAGBKQUNE-KGTBHZDVSA-N 0 0 198.306 2.422 10 30 AEEERN CCCCO[C@H](C)C#C[C@H](O)CCC 238234634 572413413 /nfs/dbraw/zinc/41/34/13/572413413.db2.gz JSBPWGRTPORBHH-VXGBXAGGSA-N 0 0 198.306 2.356 10 30 AEEERN CCCC[C@@H](O)[C@@]1(C)O[C@@H]1CC 238794312 572414008 /nfs/dbraw/zinc/41/40/08/572414008.db2.gz PMYVOXJYGHAYLP-OPRDCNLKSA-N 0 0 172.268 2.105 10 30 AEEERN C=C[C@@H]1[C@H](O)CCC[C@]12CCCC2=O 307261516 572413507 /nfs/dbraw/zinc/41/35/07/572413507.db2.gz POJBBSWZQPFOCZ-FOGDFJRCSA-N 0 0 194.274 2.073 10 30 AEEERN C=CC[C@](C)(O)C[C@H](O)CCCC 238794211 572413579 /nfs/dbraw/zinc/41/35/79/572413579.db2.gz BHALASGXYOZYKG-MNOVXSKESA-N 0 0 186.295 2.255 10 30 AEEERN C=C(C(=O)CC)[C@H](O)CCCC 238794048 572413587 /nfs/dbraw/zinc/41/35/87/572413587.db2.gz UYVXCTUUBBNTTP-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN C=C[C@@]1(C)C(=O)C=CC[C@H]1C 208653723 572413672 /nfs/dbraw/zinc/41/36/72/572413672.db2.gz VZCJNCOKFQJHEA-PSASIEDQSA-N 0 0 150.221 2.344 10 30 AEEERN CCC1CN(C(C#N)(CC)CC)C1 308017514 572413733 /nfs/dbraw/zinc/41/37/33/572413733.db2.gz JLVVZHPOXGMGBV-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C=CC[C@@](C)(O)C[C@H](O)CCCC 238794221 572413739 /nfs/dbraw/zinc/41/37/39/572413739.db2.gz BHALASGXYOZYKG-GHMZBOCLSA-N 0 0 186.295 2.255 10 30 AEEERN C=CCNc1ccc([N+](=O)[O-])s1 307214144 572413791 /nfs/dbraw/zinc/41/37/91/572413791.db2.gz ZFFNRUQZOPMKMS-UHFFFAOYSA-N 0 0 184.220 2.254 10 30 AEEERN C#CCN(CC)c1ccc(C)cc1N 307211439 572413883 /nfs/dbraw/zinc/41/38/83/572413883.db2.gz NUSWPXUZDDFIRR-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN C=CC#C[C@](C)(OCCCC)[C@@H](C)O 238234305 572413890 /nfs/dbraw/zinc/41/38/90/572413890.db2.gz FYSRTZQWPLVIAQ-NEPJUHHUSA-N 0 0 196.290 2.132 10 30 AEEERN C=C([C@@H](N)C(C)(F)F)C(F)(F)F 307217446 572413892 /nfs/dbraw/zinc/41/38/92/572413892.db2.gz FWYJPFCKPSGRNP-SCSAIBSYSA-N 0 0 189.127 2.087 10 30 AEEERN C[C@@H](O)CCCCCC[C@@H]1CO1 308017551 572413977 /nfs/dbraw/zinc/41/39/77/572413977.db2.gz SMEUPZCROMWVBB-NXEZZACHSA-N 0 0 172.268 2.107 10 30 AEEERN C=C(C)[C@@H](O)/C(=C\CCCCC)CO 238234773 572414444 /nfs/dbraw/zinc/41/44/44/572414444.db2.gz RRMMASAGBKQUNE-NXIHDVOMSA-N 0 0 198.306 2.422 10 30 AEEERN CC[C@@H](C)[C@@H](O)C#C[Si](C)(C)C 307285313 572414096 /nfs/dbraw/zinc/41/40/96/572414096.db2.gz KKZNTGMKANQPFE-ZJUUUORDSA-N 0 0 184.355 2.274 10 30 AEEERN C=C[C@@H](C=O)[C@@H](C)OCCCC 238235127 572414107 /nfs/dbraw/zinc/41/41/07/572414107.db2.gz OPBWEHUSSHCYAP-ZJUUUORDSA-N 0 0 170.252 2.193 10 30 AEEERN C=C[C@H](O)C1(CCC)CC1 307295674 572414153 /nfs/dbraw/zinc/41/41/53/572414153.db2.gz DJGIKCRQDXCLMZ-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@@](C)(O)C[C@@H](O)CCCC 238234237 572414309 /nfs/dbraw/zinc/41/43/09/572414309.db2.gz BHALASGXYOZYKG-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN CC[C@@H](C#N)NCc1cscc1C 87310616 572414425 /nfs/dbraw/zinc/41/44/25/572414425.db2.gz OABJFYPSZCPBGK-JTQLQIEISA-N 0 0 194.303 2.448 10 30 AEEERN CC(C)C#C[C@@H]1[C@@H]2C(=O)CC[C@@]21C 307268929 572414483 /nfs/dbraw/zinc/41/44/83/572414483.db2.gz GGMOIEBSDVLJHV-YUSALJHKSA-N 0 0 176.259 2.261 10 30 AEEERN C#C[C@H](CC)Nc1ccn(C(C)C)n1 300934095 572414693 /nfs/dbraw/zinc/41/46/93/572414693.db2.gz WOKRPXXJYCMNCI-SNVBAGLBSA-N 0 0 191.278 2.288 10 30 AEEERN C=CCNc1cc(C)c(C#N)c(C)n1 307291277 572414706 /nfs/dbraw/zinc/41/47/06/572414706.db2.gz BVJVZQHQSQJQJY-UHFFFAOYSA-N 0 0 187.246 2.168 10 30 AEEERN CCc1ccsc1CN[C@@H](C)C#N 87310454 572414916 /nfs/dbraw/zinc/41/49/16/572414916.db2.gz NNORIXUFLCRAHO-QMMMGPOBSA-N 0 0 194.303 2.312 10 30 AEEERN CCCC[C@@H](O)/C=C1/CCCC1=O 238794417 572415008 /nfs/dbraw/zinc/41/50/08/572415008.db2.gz OZHKQNGOBOCUMF-HSTULFTRSA-N 0 0 182.263 2.217 10 30 AEEERN Cc1cscc1CNC[C@@H](C)C#N 87310717 572415066 /nfs/dbraw/zinc/41/50/66/572415066.db2.gz VTKPFGLHSDTPMN-QMMMGPOBSA-N 0 0 194.303 2.306 10 30 AEEERN C=C(Cl)C[NH2+]CCCSC 69001399 572415083 /nfs/dbraw/zinc/41/50/83/572415083.db2.gz GESRWVGIZVIYDT-UHFFFAOYSA-N 0 0 179.716 2.082 10 30 AEEERN CCCCCCC[C@]1(C=O)CO1 238237520 572415189 /nfs/dbraw/zinc/41/51/89/572415189.db2.gz QMQXVRDPWYMOAC-JTQLQIEISA-N 0 0 170.252 2.315 10 30 AEEERN C=C[C@@H](O)C1(CCC)CC1 307295673 572415237 /nfs/dbraw/zinc/41/52/37/572415237.db2.gz DJGIKCRQDXCLMZ-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN CCCC[C@@H](O)CCCC#N 238794172 572415265 /nfs/dbraw/zinc/41/52/65/572415265.db2.gz KGXWLYURGLIKIO-SECBINFHSA-N 0 0 155.241 2.231 10 30 AEEERN CCc1ccsc1CNCCC#N 87310517 572415378 /nfs/dbraw/zinc/41/53/78/572415378.db2.gz KBXPUWKWKNYNKN-UHFFFAOYSA-N 0 0 194.303 2.314 10 30 AEEERN CCCSC[C@H](O)CCCC#N 238236383 572415420 /nfs/dbraw/zinc/41/54/20/572415420.db2.gz KYPSMGGMTMTNSU-SECBINFHSA-N 0 0 187.308 2.184 10 30 AEEERN CON=Cc1cc2ccccc2[nH]1 379409632 572415428 /nfs/dbraw/zinc/41/54/28/572415428.db2.gz DICAEXLQZBEBLC-UHFFFAOYSA-N 0 0 174.203 2.148 10 30 AEEERN CCCC[C@H](O)/C=C1/CCCC1=O 238236846 572415485 /nfs/dbraw/zinc/41/54/85/572415485.db2.gz OZHKQNGOBOCUMF-QROTZFDESA-N 0 0 182.263 2.217 10 30 AEEERN CCCS[C@@H](CO)CCCC#N 238237488 572415558 /nfs/dbraw/zinc/41/55/58/572415558.db2.gz YOHVIMRFJKRNFF-SECBINFHSA-N 0 0 187.308 2.184 10 30 AEEERN CCC[C@H]1O[C@@H]1C(=O)CC(C)C 238237233 572415572 /nfs/dbraw/zinc/41/55/72/572415572.db2.gz VJGHGELHJYTNKA-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN C=C[C@@H]1C[C@@H]2C=C[C@H](O)[C@@]23CC[C@H]13 307256632 572415619 /nfs/dbraw/zinc/41/56/19/572415619.db2.gz BMWUPBAKZNFZDE-LVEVGFFFSA-N 0 0 176.259 2.136 10 30 AEEERN C#CC[C@H](O)[C@H]1CCCC[C@H]1C 307250573 572415654 /nfs/dbraw/zinc/41/56/54/572415654.db2.gz PNHARBCZBKCUSB-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN CCCCCCC[C@](C)(CO)NO 238237214 572415694 /nfs/dbraw/zinc/41/56/94/572415694.db2.gz LNAKCOULIVMYCB-SNVBAGLBSA-N 0 0 189.299 2.077 10 30 AEEERN Cc1cscc1CNC[C@H](C)C#N 87310718 572415797 /nfs/dbraw/zinc/41/57/97/572415797.db2.gz VTKPFGLHSDTPMN-MRVPVSSYSA-N 0 0 194.303 2.306 10 30 AEEERN C=C[C@@H]1CCC[C@H]1/C=C/CO 307299588 572415876 /nfs/dbraw/zinc/41/58/76/572415876.db2.gz VDAXOHXQXUUPII-WQFVMHTJSA-N 0 0 152.237 2.137 10 30 AEEERN C=C1CC[C@@H]2CCC[C@@]12CO 307283948 572415885 /nfs/dbraw/zinc/41/58/85/572415885.db2.gz KJVXDNSSAONUJG-VHSXEESVSA-N 0 0 152.237 2.115 10 30 AEEERN CCC[C@@H](CC#N)C[C@H](C)O 238794881 572415920 /nfs/dbraw/zinc/41/59/20/572415920.db2.gz JLCBBNIIELTFOK-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN CCCCCCC[C@H]1COC[C@@H]1O 238236390 572415965 /nfs/dbraw/zinc/41/59/65/572415965.db2.gz GMYLGCLRQYLBJV-QWRGUYRKSA-N 0 0 186.295 2.354 10 30 AEEERN C#C/C=C/CC[C@]1(C)[NH2+]CCS1 307290278 572416007 /nfs/dbraw/zinc/41/60/07/572416007.db2.gz BJJJPUOJJARABI-ORAHPGNNSA-N 0 0 181.304 2.009 10 30 AEEERN CCC[C@@]1(C=O)O[C@H]1c1ccccc1 238237431 572416015 /nfs/dbraw/zinc/41/60/15/572416015.db2.gz LKOMSWJEYZDPAZ-RYUDHWBXSA-N 0 0 190.242 2.496 10 30 AEEERN CCCCC/C=C/C[C@@H]1O[C@@H]1CO 238236000 572416018 /nfs/dbraw/zinc/41/60/18/572416018.db2.gz MXSBFJJUNLPVKN-FQLSZKSXSA-N 0 0 184.279 2.273 10 30 AEEERN C=C[C@@H](C)Sc1nnc(C)c(C)n1 307213950 572416022 /nfs/dbraw/zinc/41/60/22/572416022.db2.gz YXUSTHLPHPYJLQ-ZCFIWIBFSA-N 0 0 195.291 2.155 10 30 AEEERN CCC[C@@H](CC#N)CC(C)=O 238794879 572416055 /nfs/dbraw/zinc/41/60/55/572416055.db2.gz GDRXGFRXWRFHPW-VIFPVBQESA-N 0 0 153.225 2.295 10 30 AEEERN CCCC[C@@](O)(C=O)c1ccccc1 238796165 572416132 /nfs/dbraw/zinc/41/61/32/572416132.db2.gz WCXAQKFWGGPTDO-GFCCVEGCSA-N 0 0 192.258 2.263 10 30 AEEERN CCC[C@@H](CC#N)C[C@@H](C)O 238794880 572416151 /nfs/dbraw/zinc/41/61/51/572416151.db2.gz JLCBBNIIELTFOK-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CCCCCCC[C@@H]1C=CC(=O)N1 238236644 572416280 /nfs/dbraw/zinc/41/62/80/572416280.db2.gz JZBVIUQEBBNYQL-SNVBAGLBSA-N 0 0 181.279 2.402 10 30 AEEERN CCCCC/C=C/C[C@]1(CO)CO1 238236253 572416307 /nfs/dbraw/zinc/41/63/07/572416307.db2.gz CNCJDGPCOYSTRC-MLRMMBSGSA-N 0 0 184.279 2.274 10 30 AEEERN N#Cc1ccc(-c2cccc(N)c2)nc1 236358879 572416317 /nfs/dbraw/zinc/41/63/17/572416317.db2.gz ZGQMQXHYHVROJN-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C1C[C@@H](C[C@@H](C)O)O[C@@H](/C=C/C)C1 307243204 572416323 /nfs/dbraw/zinc/41/63/23/572416323.db2.gz KASYXESNAWNWBR-GQJJHNKNSA-N 0 0 196.290 2.437 10 30 AEEERN C=C1[C@H]([C@@H](C)O)[C@@H]1C(C)(C)C 307261057 572416388 /nfs/dbraw/zinc/41/63/88/572416388.db2.gz ONSRSWZWDNCUDI-IWSPIJDZSA-N 0 0 154.253 2.216 10 30 AEEERN CCCCC[C@H](O)C#CC1CC1 238236360 572416477 /nfs/dbraw/zinc/41/64/77/572416477.db2.gz ZHRMZMRMPBAVFJ-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CCCC[C@H](O)[C@]1(F)O[C@@H]1CCC 238236685 572416569 /nfs/dbraw/zinc/41/65/69/572416569.db2.gz LVBJYWCWBJZBCX-AEJSXWLSSA-N 0 0 190.258 2.402 10 30 AEEERN C=CC#C[C@@](C)(OCCCC)[C@H](C)O 238236662 572416620 /nfs/dbraw/zinc/41/66/20/572416620.db2.gz FYSRTZQWPLVIAQ-NWDGAFQWSA-N 0 0 196.290 2.132 10 30 AEEERN C[C@H](O)CCCCCC[C@@H]1CO1 308017563 572416654 /nfs/dbraw/zinc/41/66/54/572416654.db2.gz SMEUPZCROMWVBB-VHSXEESVSA-N 0 0 172.268 2.107 10 30 AEEERN CCCCC/C=C/C[C@H]1O[C@@H]1CO 238236215 572416655 /nfs/dbraw/zinc/41/66/55/572416655.db2.gz MXSBFJJUNLPVKN-AFPRHGJPSA-N 0 0 184.279 2.273 10 30 AEEERN CCCCCCC[C@H]1OCC1=O 238236818 572416663 /nfs/dbraw/zinc/41/66/63/572416663.db2.gz BMDPDYCSDVJPQY-SNVBAGLBSA-N 0 0 170.252 2.315 10 30 AEEERN C=C1CC[C@@H]2[C@@H]1[C@]1(C)CC[C@@H](O)[C@@H]21 307234363 572416701 /nfs/dbraw/zinc/41/67/01/572416701.db2.gz DOIFQTYGRBMKTO-OOCWMUITSA-N 0 0 178.275 2.360 10 30 AEEERN CCCCCCC[C@H]1COC[C@H]1O 238236419 572416722 /nfs/dbraw/zinc/41/67/22/572416722.db2.gz GMYLGCLRQYLBJV-WDEREUQCSA-N 0 0 186.295 2.354 10 30 AEEERN CCCCCCC[C@H]1CNC(=O)C1 238236355 572417064 /nfs/dbraw/zinc/41/70/64/572417064.db2.gz YBWGZCZJRKHIDL-SNVBAGLBSA-N 0 0 183.295 2.483 10 30 AEEERN C=C(Cl)C[NH2+]C[C@@H](C)CSC 69011461 572416804 /nfs/dbraw/zinc/41/68/04/572416804.db2.gz DNDAFQPHWUAOCR-SSDOTTSWSA-N 0 0 193.743 2.328 10 30 AEEERN C[C@@H](O)CCCCCC[C@H]1CO1 308017571 572416871 /nfs/dbraw/zinc/41/68/71/572416871.db2.gz SMEUPZCROMWVBB-ZJUUUORDSA-N 0 0 172.268 2.107 10 30 AEEERN CCCC1=CC(=O)[C@@H](CCC)O1 238236255 572416909 /nfs/dbraw/zinc/41/69/09/572416909.db2.gz SMMXDNQTNPWMSO-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN CCCCNC1=C(C(C)=O)CCC1 238237307 572416914 /nfs/dbraw/zinc/41/69/14/572416914.db2.gz ROJALEHFJGEKPM-UHFFFAOYSA-N 0 0 181.279 2.403 10 30 AEEERN CCCCC[C@H](O)C#CCCCCO 238236446 572416987 /nfs/dbraw/zinc/41/69/87/572416987.db2.gz LBLDPDCZGXKTSX-LBPRGKRZSA-N 0 0 198.306 2.094 10 30 AEEERN CCC[C@@]1(C=O)O[C@@H]1c1ccccc1 238237423 572416988 /nfs/dbraw/zinc/41/69/88/572416988.db2.gz LKOMSWJEYZDPAZ-NEPJUHHUSA-N 0 0 190.242 2.496 10 30 AEEERN CCCCO[P@@](=O)(CC)CC=O 238236918 572417013 /nfs/dbraw/zinc/41/70/13/572417013.db2.gz DVECMHCMERMWTB-LBPRGKRZSA-N 0 0 192.195 2.300 10 30 AEEERN C=C(C)CC(=O)N1C[C@H](C)[C@@H](C)C1 307262083 572418115 /nfs/dbraw/zinc/41/81/15/572418115.db2.gz RAWKGFXOCDJWKW-UWVGGRQHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CC[C@@H](O)c1ccc2c(n1)CCC2 307284883 572417197 /nfs/dbraw/zinc/41/71/97/572417197.db2.gz NTKQUBGFKWSAPT-GFCCVEGCSA-N 0 0 189.258 2.180 10 30 AEEERN N#CCc1ccn2c(Cl)cnc2c1 214668394 572417872 /nfs/dbraw/zinc/41/78/72/572417872.db2.gz YTHPXYIIIKOOMK-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN CCCC[C@@](C=O)(CC)COC 238796115 572417309 /nfs/dbraw/zinc/41/73/09/572417309.db2.gz CDFISHFKCXEGQM-SNVBAGLBSA-N 0 0 172.268 2.418 10 30 AEEERN CCCCC/C=C/C[C@@H]1O[C@H]1C=O 238236015 572417354 /nfs/dbraw/zinc/41/73/54/572417354.db2.gz KESXYVNKHWPNBE-JYLGIWJRSA-N 0 0 182.263 2.479 10 30 AEEERN C=C[C@H]1[C@H]2CC[C@H]([C@@H](O)C2)[C@H]1C=C 307294026 572417363 /nfs/dbraw/zinc/41/73/63/572417363.db2.gz CJIHEVOOIWZQCR-HTFCKZLJSA-N 0 0 178.275 2.382 10 30 AEEERN C=C[C@]1(C)C(=O)C=CC[C@@H]1C 208653685 572417410 /nfs/dbraw/zinc/41/74/10/572417410.db2.gz VZCJNCOKFQJHEA-WPRPVWTQSA-N 0 0 150.221 2.344 10 30 AEEERN C#CCCNC(=O)C1(CC)CCCC1 87318940 572417484 /nfs/dbraw/zinc/41/74/84/572417484.db2.gz QGESJIPUFCSVNU-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN CCCCC/C=C/C[C@@H]1O[C@@H]1C=O 238235954 572417560 /nfs/dbraw/zinc/41/75/60/572417560.db2.gz KESXYVNKHWPNBE-FQLSZKSXSA-N 0 0 182.263 2.479 10 30 AEEERN CCC[C@@H](C=O)N(O)c1ccccc1 238794804 572417666 /nfs/dbraw/zinc/41/76/66/572417666.db2.gz WCDTXLBRLLOKTJ-NSHDSACASA-N 0 0 193.246 2.250 10 30 AEEERN CC#C[C@@]1(O)CC(C)(C)C[C@@H]1C 307237351 572417887 /nfs/dbraw/zinc/41/78/87/572417887.db2.gz OHFQUZZODWQZJS-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN CCCC[C@@H]1C=C[C@@H]2[C@@H](C=O)[C@@H]21 238794674 572417694 /nfs/dbraw/zinc/41/76/94/572417694.db2.gz QJVZABXNHKZSFB-GWOFURMSSA-N 0 0 164.248 2.424 10 30 AEEERN CCCCC/C=C/C[C@H]1O[C@H]1C=O 238236225 572417717 /nfs/dbraw/zinc/41/77/17/572417717.db2.gz KESXYVNKHWPNBE-JNQBIPAQSA-N 0 0 182.263 2.479 10 30 AEEERN CC[C@H](C#N)NCc1cscc1C 87310617 572417733 /nfs/dbraw/zinc/41/77/33/572417733.db2.gz OABJFYPSZCPBGK-SNVBAGLBSA-N 0 0 194.303 2.448 10 30 AEEERN CCC[C@@H](C=O)[C@@H](O)c1ccccc1 238794817 572417767 /nfs/dbraw/zinc/41/77/67/572417767.db2.gz BZXIGJFFNGCSOW-RYUDHWBXSA-N 0 0 192.258 2.335 10 30 AEEERN CCCCC[C@H](O)C#C[C@@](C)(O)CC 238236521 572417768 /nfs/dbraw/zinc/41/77/68/572417768.db2.gz LROXOXOPTIJDCN-RYUDHWBXSA-N 0 0 198.306 2.092 10 30 AEEERN C=C1C[C@H](O)C[C@@H]2[C@H](C)CC[C@@H]12 307251062 572417824 /nfs/dbraw/zinc/41/78/24/572417824.db2.gz QCIQEAIXLKHYFV-GRLWKWRFSA-N 0 0 166.264 2.360 10 30 AEEERN CC[C@@H](C#N)NCc1sccc1C 87309830 572417955 /nfs/dbraw/zinc/41/79/55/572417955.db2.gz VYMVNSVJOZQKJW-VIFPVBQESA-N 0 0 194.303 2.448 10 30 AEEERN C[C@H](O)CCCCCC[C@H]1CO1 308017557 572417960 /nfs/dbraw/zinc/41/79/60/572417960.db2.gz SMEUPZCROMWVBB-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN CCC(=O)[C@](C)(C=O)c1ccccc1 238235991 572418052 /nfs/dbraw/zinc/41/80/52/572418052.db2.gz KASLEGCFPTZOSQ-GFCCVEGCSA-N 0 0 190.242 2.122 10 30 AEEERN N#CCc1cccc2c(Cl)n[nH]c12 214668115 572418063 /nfs/dbraw/zinc/41/80/63/572418063.db2.gz ROZSRMRMECRCTC-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN C=CC#C[C@@](C)(OCCCC)[C@@H](C)O 238236643 572418066 /nfs/dbraw/zinc/41/80/66/572418066.db2.gz FYSRTZQWPLVIAQ-VXGBXAGGSA-N 0 0 196.290 2.132 10 30 AEEERN CCCCC/C=C/[C@@H]1OCO[C@@H]1C=O 238236906 572418078 /nfs/dbraw/zinc/41/80/78/572418078.db2.gz MASSSLOCJIMELI-FQLSZKSXSA-N 0 0 198.262 2.063 10 30 AEEERN CCCCC[C@H](O)C#C[C@](C)(O)CC 238236557 572418156 /nfs/dbraw/zinc/41/81/56/572418156.db2.gz LROXOXOPTIJDCN-NWDGAFQWSA-N 0 0 198.306 2.092 10 30 AEEERN C#CC#C[C@@H](O)CCCCCCC 238235272 572418161 /nfs/dbraw/zinc/41/81/61/572418161.db2.gz SQAISCPOKKEHKK-GFCCVEGCSA-N 0 0 178.275 2.344 10 30 AEEERN C=C(C)C(=O)C[C@H](CCC)OC 238794886 572418262 /nfs/dbraw/zinc/41/82/62/572418262.db2.gz HLMANDDMBFRLKH-VIFPVBQESA-N 0 0 170.252 2.337 10 30 AEEERN C=C[C@H](C)ON=C1CCCCCN1 307235307 572418280 /nfs/dbraw/zinc/41/82/80/572418280.db2.gz DIGQBIJMWHXVEI-VIFPVBQESA-N 0 0 182.267 2.055 10 30 AEEERN N#CCc1ccc2c(Cl)n[nH]c2c1 214668042 572418396 /nfs/dbraw/zinc/41/83/96/572418396.db2.gz IYGLBTZEWYJJGE-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN C=C(CC)[C@H](CCCC)C(N)=O 238796615 572418877 /nfs/dbraw/zinc/41/88/77/572418877.db2.gz JKPIELMPIBPBGC-VIFPVBQESA-N 0 0 169.268 2.244 10 30 AEEERN CCCC[C@H](C=O)[C@H](C)OCC 238797321 572419574 /nfs/dbraw/zinc/41/95/74/572419574.db2.gz JKMGDGIZVLRJTC-VHSXEESVSA-N 0 0 172.268 2.417 10 30 AEEERN C#C[C@@H](Nc1ccnc(F)c1)C(C)C 300987369 572419064 /nfs/dbraw/zinc/41/90/64/572419064.db2.gz VATBPWQKOFMCOK-SNVBAGLBSA-N 0 0 192.237 2.290 10 30 AEEERN CCCC[C@H](O)[C@@]1(F)O[C@@H]1CCC 238235691 572419094 /nfs/dbraw/zinc/41/90/94/572419094.db2.gz LVBJYWCWBJZBCX-IVZWLZJFSA-N 0 0 190.258 2.402 10 30 AEEERN CCCSC[C@@H](O)CCCC#N 238235784 572419100 /nfs/dbraw/zinc/41/91/00/572419100.db2.gz KYPSMGGMTMTNSU-VIFPVBQESA-N 0 0 187.308 2.184 10 30 AEEERN N#CCc1cccn2c(Cl)ncc12 214668539 572419104 /nfs/dbraw/zinc/41/91/04/572419104.db2.gz XXQUUBAIYKNADW-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1cc2ncc(Cl)cc2[nH]1 214668768 572419121 /nfs/dbraw/zinc/41/91/21/572419121.db2.gz FLCAGKDVXTXJFU-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN C#C[C@](C)(C=C)[C@H]1CCCC[C@H]1O 307292635 572419138 /nfs/dbraw/zinc/41/91/38/572419138.db2.gz MCFXGHFCIWCLNT-QJPTWQEYSA-N 0 0 178.275 2.363 10 30 AEEERN N#CCc1ccc2ncc(Cl)n2c1 214668320 572419140 /nfs/dbraw/zinc/41/91/40/572419140.db2.gz KDJBKHPLECAUTQ-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN C=C(C)c1nnc([C@@H](N)[C@H](C)CC)o1 238797977 572419540 /nfs/dbraw/zinc/41/95/40/572419540.db2.gz YXWFGYDEUBCUDW-SFYZADRCSA-N 0 0 195.266 2.149 10 30 AEEERN C=CCS[C@H](C)C(=O)CC 307225872 572419578 /nfs/dbraw/zinc/41/95/78/572419578.db2.gz FEHFIWQJSLALKD-SSDOTTSWSA-N 0 0 158.266 2.273 10 30 AEEERN CCOc1cccc(C[C@@H](C)C=O)c1 87334835 572419579 /nfs/dbraw/zinc/41/95/79/572419579.db2.gz KMCQRCGXKNMXII-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN N#CCc1cccc2[nH]nc(Cl)c12 214667888 572419615 /nfs/dbraw/zinc/41/96/15/572419615.db2.gz VJVIRCNGPAZGCK-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN N#CCc1ccn2c(Cl)ncc2c1 214668618 572419618 /nfs/dbraw/zinc/41/96/18/572419618.db2.gz XSHMFNASDAEKDN-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN C=C[C@@](C)(O)C[C@@H](O)CCCCC 238237750 572419645 /nfs/dbraw/zinc/41/96/45/572419645.db2.gz CYNHKSHDBCTRSV-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN C#C[C@H](C)[C@@H](O)CCCCC 238237902 572419725 /nfs/dbraw/zinc/41/97/25/572419725.db2.gz PNPJZHJOKXXMKY-UWVGGRQHSA-N 0 0 154.253 2.197 10 30 AEEERN N#CCc1cccc2ncc(Cl)n12 214668257 572419740 /nfs/dbraw/zinc/41/97/40/572419740.db2.gz SUDXQVCXTBYRKT-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1c(Cl)nc2ccccn12 214668188 572419939 /nfs/dbraw/zinc/41/99/39/572419939.db2.gz AIEWUVQHDIDYAQ-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN C=C(C)[C@@]1(O)CCCC12CCOCC2 300906793 572420105 /nfs/dbraw/zinc/42/01/05/572420105.db2.gz JOKAWDPFOMTTIB-LBPRGKRZSA-N 0 0 196.290 2.274 10 30 AEEERN C=CC[C@@H](O)c1cncc(Cl)c1 307292830 572420194 /nfs/dbraw/zinc/42/01/94/572420194.db2.gz DRACMOJCKBALJH-SECBINFHSA-N 0 0 183.638 2.345 10 30 AEEERN CCOc1cccc(C[C@H](C)C=O)c1 87334837 572420340 /nfs/dbraw/zinc/42/03/40/572420340.db2.gz KMCQRCGXKNMXII-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN N#CCc1ccc2[nH]nc(Cl)c2c1 214667970 572420414 /nfs/dbraw/zinc/42/04/14/572420414.db2.gz UXDDUKJDAJUZCF-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN N#CCc1cccn2c(Cl)cnc12 214668466 572420428 /nfs/dbraw/zinc/42/04/28/572420428.db2.gz CXSBHAPJBALBRR-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN NN=C1CCCC12CCCCC2 319129252 572420467 /nfs/dbraw/zinc/42/04/67/572420467.db2.gz RMEKXWFTPGOWHI-UHFFFAOYSA-N 0 0 166.268 2.436 10 30 AEEERN CCCC[C@H](C)C[C@H](N)C#N 238796831 572420501 /nfs/dbraw/zinc/42/05/01/572420501.db2.gz DABBLGIQLUZVBU-IUCAKERBSA-N 0 0 154.257 2.054 10 30 AEEERN CCCCC[C@H](O)C[C@]1(C)CO1 238237767 572420576 /nfs/dbraw/zinc/42/05/76/572420576.db2.gz UQJISOJDOSUCMV-VHSXEESVSA-N 0 0 172.268 2.107 10 30 AEEERN N#CCc1cccc2cnc(Cl)n12 214668685 572420696 /nfs/dbraw/zinc/42/06/96/572420696.db2.gz QJHKVDSQOPWINT-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN CCCC[C@H](O)[C@@]1(C)O[C@@H]1CC 238235669 572420698 /nfs/dbraw/zinc/42/06/98/572420698.db2.gz PMYVOXJYGHAYLP-IVZWLZJFSA-N 0 0 172.268 2.105 10 30 AEEERN N#CCc1nc2ccccn2c1Cl 214667816 572420761 /nfs/dbraw/zinc/42/07/61/572420761.db2.gz OIRCAFQYNXEXTM-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN CCCCC[C@H](O)C[C@@]1(C)CO1 238237659 572420789 /nfs/dbraw/zinc/42/07/89/572420789.db2.gz UQJISOJDOSUCMV-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN CON=C1CCc2ccc(F)c(F)c21 687827039 572420866 /nfs/dbraw/zinc/42/08/66/572420866.db2.gz SZDRJMMLEXVFCN-UHFFFAOYSA-N 0 0 197.184 2.262 10 30 AEEERN CCCC[C@H](C)C[C@@H](N)C#N 238796807 572420964 /nfs/dbraw/zinc/42/09/64/572420964.db2.gz DABBLGIQLUZVBU-DTWKUNHWSA-N 0 0 154.257 2.054 10 30 AEEERN C=C1[C@H](C(C)(C)C)[C@H]1[C@@H](C)O 307261056 572420972 /nfs/dbraw/zinc/42/09/72/572420972.db2.gz ONSRSWZWDNCUDI-HLTSFMKQSA-N 0 0 154.253 2.216 10 30 AEEERN C=CC[C@]1(CCC)CNC(=O)OC1 238237757 572420987 /nfs/dbraw/zinc/42/09/87/572420987.db2.gz ZEIHJLKEVVPDAG-JTQLQIEISA-N 0 0 183.251 2.089 10 30 AEEERN CCCC[C@H](C=O)[C@@H](C)OCC 238797307 572421064 /nfs/dbraw/zinc/42/10/64/572421064.db2.gz JKMGDGIZVLRJTC-NXEZZACHSA-N 0 0 172.268 2.417 10 30 AEEERN CCN(CCC#N)c1cccc(O)c1 238235568 572421099 /nfs/dbraw/zinc/42/10/99/572421099.db2.gz GCFFWFNFLNQYJX-UHFFFAOYSA-N 0 0 190.246 2.132 10 30 AEEERN C=C1C[C@@H](O)C[C@]2(C)CC(=O)CC[C@@H]12 307267600 572421365 /nfs/dbraw/zinc/42/13/65/572421365.db2.gz JANDGUAWLWJQIR-WOPDTQHZSA-N 0 0 194.274 2.073 10 30 AEEERN C=C(C)[C@H]1C=C[C@H](C)[C@H](CO)C1 307231906 572421557 /nfs/dbraw/zinc/42/15/57/572421557.db2.gz DLEIIJGWACIAIU-DCAQKATOSA-N 0 0 166.264 2.383 10 30 AEEERN C=C(C)CCNc1snc(N)c1C 307249201 572421600 /nfs/dbraw/zinc/42/16/00/572421600.db2.gz JAIAKUGNXJTICG-UHFFFAOYSA-N 0 0 197.307 2.412 10 30 AEEERN C=C1C[C@H](O)C[C@@]2(C)CC(=O)CC[C@H]12 307208047 572421709 /nfs/dbraw/zinc/42/17/09/572421709.db2.gz JANDGUAWLWJQIR-QJPTWQEYSA-N 0 0 194.274 2.073 10 30 AEEERN CCCCCCC[C@H](O)C1(O)CC1 238235498 572421728 /nfs/dbraw/zinc/42/17/28/572421728.db2.gz XHPWIZVOXVZIQG-JTQLQIEISA-N 0 0 186.295 2.233 10 30 AEEERN C=CCNC(=O)[C@@H](CC)[C@H](C)CC 238797589 572421735 /nfs/dbraw/zinc/42/17/35/572421735.db2.gz BWRWYXTZLHZCLS-ZJUUUORDSA-N 0 0 183.295 2.361 10 30 AEEERN C=C[C@](C)(O)C[C@@H](O)CCCCC 238237649 572421740 /nfs/dbraw/zinc/42/17/40/572421740.db2.gz CYNHKSHDBCTRSV-QWRGUYRKSA-N 0 0 186.295 2.255 10 30 AEEERN C=CCCn1ncc2c1CCCC2 307218251 572421761 /nfs/dbraw/zinc/42/17/61/572421761.db2.gz NGRGMKNVJIORIY-UHFFFAOYSA-N 0 0 176.263 2.338 10 30 AEEERN C=CCCC[C@]1(CO)CCCCO1 404513311 572421806 /nfs/dbraw/zinc/42/18/06/572421806.db2.gz SSMATBWAMXKBOC-LLVKDONJSA-N 0 0 184.279 2.274 10 30 AEEERN C=C(C)CNC(=O)c1occc1Cl 307266868 572421816 /nfs/dbraw/zinc/42/18/16/572421816.db2.gz DMEPQVRMHRNKBO-UHFFFAOYSA-N 0 0 199.637 2.239 10 30 AEEERN C=C[C@@H]1[C@@H](O)CCC[C@]12CCCC2=O 307261518 572421833 /nfs/dbraw/zinc/42/18/33/572421833.db2.gz POJBBSWZQPFOCZ-SCVCMEIPSA-N 0 0 194.274 2.073 10 30 AEEERN CC#CCSC1=N[C@@H](C)CS1 307201537 572421948 /nfs/dbraw/zinc/42/19/48/572421948.db2.gz FCNAIHKAXKFSCG-ZETCQYMHSA-N 0 0 185.317 2.234 10 30 AEEERN CCCCC[C@H](O)[C@@H]1CCC=CC1=O 238238546 572422351 /nfs/dbraw/zinc/42/23/51/572422351.db2.gz NVVHFQYRGAXJNG-QWRGUYRKSA-N 0 0 196.290 2.463 10 30 AEEERN CCCCC[C@H](O)[C@@H]1OC1(C)C 238238713 572422478 /nfs/dbraw/zinc/42/24/78/572422478.db2.gz JYJMCQPKMGCHJP-IUCAKERBSA-N 0 0 172.268 2.105 10 30 AEEERN C=CCCC[C@@]1(CO)CCCCO1 404513312 572422455 /nfs/dbraw/zinc/42/24/55/572422455.db2.gz SSMATBWAMXKBOC-NSHDSACASA-N 0 0 184.279 2.274 10 30 AEEERN CCCCOc1cc(N)ccc1C#N 238238634 572422661 /nfs/dbraw/zinc/42/26/61/572422661.db2.gz SOULMAUEMWRLHC-UHFFFAOYSA-N 0 0 190.246 2.319 10 30 AEEERN C#CC[C@H](O)[C@@H]1CCCC[C@@H]1C 307250570 572422673 /nfs/dbraw/zinc/42/26/73/572422673.db2.gz PNHARBCZBKCUSB-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@@H]1[C@H](CC)[C@@H]2CC[C@H]1C2=O 307217647 572422825 /nfs/dbraw/zinc/42/28/25/572422825.db2.gz UXBYARKLLBUQAT-RGOKHQFPSA-N 0 0 164.248 2.424 10 30 AEEERN CC/C=C\C(=O)c1ccc(OC)nc1 401350621 572422873 /nfs/dbraw/zinc/42/28/73/572422873.db2.gz XHUBHXMSGIGYQF-PLNGDYQASA-N 0 0 191.230 2.239 10 30 AEEERN C=C(C)C[C@H](O)c1ccc(C)cn1 307278152 572422881 /nfs/dbraw/zinc/42/28/81/572422881.db2.gz TUSODPGZIFCXNQ-NSHDSACASA-N 0 0 177.247 2.390 10 30 AEEERN C=C(C)[C@@H](CO)OCc1ccccc1 307296885 572422925 /nfs/dbraw/zinc/42/29/25/572422925.db2.gz RIVWBSZCEPNSJL-GFCCVEGCSA-N 0 0 192.258 2.140 10 30 AEEERN C=C(C)[C@@H](O)c1ncc(C)cc1C 307246043 572423219 /nfs/dbraw/zinc/42/32/19/572423219.db2.gz XANKLSFOHOVKIR-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN Cc1cccc2c(CC=O)cn(C)c12 76632398 572423643 /nfs/dbraw/zinc/42/36/43/572423643.db2.gz PKIOADDGSOQBCB-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN CC1=CC[C@@H]2C=CC(=O)C[C@@]12C 196624780 572423659 /nfs/dbraw/zinc/42/36/59/572423659.db2.gz RQVPECMFTOHHNN-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN CC[C@@H]1SC[C@H]2CC(=O)C=C21 196632019 572423769 /nfs/dbraw/zinc/42/37/69/572423769.db2.gz ZPWZHFKODONBHL-MUWHJKNJSA-N 0 0 168.261 2.027 10 30 AEEERN C=C1CC(=O)C2(CCCCC2)[C@@H]1OC 307243012 572423772 /nfs/dbraw/zinc/42/37/72/572423772.db2.gz JANUYKOTFCEWBS-LLVKDONJSA-N 0 0 194.274 2.481 10 30 AEEERN CC1=CC[C@H]2C=CC(=O)C[C@@]12C 196624768 572423857 /nfs/dbraw/zinc/42/38/57/572423857.db2.gz RQVPECMFTOHHNN-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C#C/C=C\N[C@H](C)c1ccccc1 308020748 572423979 /nfs/dbraw/zinc/42/39/79/572423979.db2.gz JXFCHTPNRFYENU-NEOSZVFXSA-N 0 0 171.243 2.484 10 30 AEEERN CC[C@@H](C)[C@H](O)C#C[Si](C)(C)C 307285312 572424096 /nfs/dbraw/zinc/42/40/96/572424096.db2.gz KKZNTGMKANQPFE-NXEZZACHSA-N 0 0 184.355 2.274 10 30 AEEERN CC[C@H]1SC[C@H]2CC(=O)C=C21 196632007 572424295 /nfs/dbraw/zinc/42/42/95/572424295.db2.gz ZPWZHFKODONBHL-HZGVNTEJSA-N 0 0 168.261 2.027 10 30 AEEERN C#CCc1ccnc(C(F)(F)F)c1 307270401 572424376 /nfs/dbraw/zinc/42/43/76/572424376.db2.gz PXCATSFQVXFANE-UHFFFAOYSA-N 0 0 185.148 2.276 10 30 AEEERN C=C(C)[C@H]1C=C[C@H](C)[C@H](O)C1 307231533 572424835 /nfs/dbraw/zinc/42/48/35/572424835.db2.gz BLPCSYONXDRXMD-LPEHRKFASA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@H](C)[C@@H]1CCC=C[C@@H]1O 307266103 572426673 /nfs/dbraw/zinc/42/66/73/572426673.db2.gz ZGXJYHQAQPZMJV-GUBZILKMSA-N 0 0 152.237 2.136 10 30 AEEERN CC(CNc1ccc(C)cc1)=NO 308018121 572424574 /nfs/dbraw/zinc/42/45/74/572424574.db2.gz PVCVETHBCQWTLP-UHFFFAOYSA-N 0 0 178.235 2.257 10 30 AEEERN C=C1[C@H]([C@H](C)O)[C@@H]1C(C)(C)C 307261055 572426878 /nfs/dbraw/zinc/42/68/78/572426878.db2.gz ONSRSWZWDNCUDI-DJLDLDEBSA-N 0 0 154.253 2.216 10 30 AEEERN Cc1ccc([C@H](CC=O)C2CC2)cn1 107174470 572424800 /nfs/dbraw/zinc/42/48/00/572424800.db2.gz VDLNAPAAWLWSPB-GFCCVEGCSA-N 0 0 189.258 2.473 10 30 AEEERN C#CC[C@]12C=CCC=C1CCC2=O 196628847 572424815 /nfs/dbraw/zinc/42/48/15/572424815.db2.gz BVICWEXJATWEKT-LBPRGKRZSA-N 0 0 172.227 2.245 10 30 AEEERN C=CC(C)(C)[C@H]1C[C@@H](C)[C@@H]1O 307231015 572424894 /nfs/dbraw/zinc/42/48/94/572424894.db2.gz DEDVJGFNDLYSPR-VGMNWLOBSA-N 0 0 154.253 2.216 10 30 AEEERN C[C@]1(c2ccccc2)C=CC(=O)C1 196636178 572425096 /nfs/dbraw/zinc/42/50/96/572425096.db2.gz SXHZXSGKGZNPBR-LBPRGKRZSA-N 0 0 172.227 2.473 10 30 AEEERN C=C[C@@](C)(CCCC)OCCO 238796053 572425099 /nfs/dbraw/zinc/42/50/99/572425099.db2.gz IGJPGIFIONVMID-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN CC1=CC[C@@H]2C=CC(=O)C[C@]12C 196624762 572425111 /nfs/dbraw/zinc/42/51/11/572425111.db2.gz RQVPECMFTOHHNN-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C#C/C=C\N[C@@H](C)c1ccccc1 308020747 572425141 /nfs/dbraw/zinc/42/51/41/572425141.db2.gz JXFCHTPNRFYENU-FGUAACIASA-N 0 0 171.243 2.484 10 30 AEEERN C#C[C@](C)(CC)n1cccc1 307227242 572425150 /nfs/dbraw/zinc/42/51/50/572425150.db2.gz WHXQPILPSGBTST-SNVBAGLBSA-N 0 0 147.221 2.247 10 30 AEEERN C=C[C@H](OC)[C@@H](O)CCCCC 238238479 572425286 /nfs/dbraw/zinc/42/52/86/572425286.db2.gz NRPKVEQSLUEJRJ-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN CC[C@@]12C=CCC=C1C=CC2=O 196629304 572425351 /nfs/dbraw/zinc/42/53/51/572425351.db2.gz OULVSMRRLWEEFQ-LLVKDONJSA-N 0 0 160.216 2.408 10 30 AEEERN C=C1CC[C@@H]2[C@@H]1[C@]1(C)CC[C@H](O)[C@H]21 307234362 572425367 /nfs/dbraw/zinc/42/53/67/572425367.db2.gz DOIFQTYGRBMKTO-LVEVGFFFSA-N 0 0 178.275 2.360 10 30 AEEERN C[C@H]1C=CC(=O)C[C@H]1C(C)(C)C#N 196633560 572425395 /nfs/dbraw/zinc/42/53/95/572425395.db2.gz JPIKCBTUGPPBJT-WCBMZHEXSA-N 0 0 177.247 2.317 10 30 AEEERN C=C(C)CC[N@H+]1CCC(=O)[C@H](C)[C@@H]1C 307216894 572425494 /nfs/dbraw/zinc/42/54/94/572425494.db2.gz FQDSRTWFQAJIMA-MNOVXSKESA-N 0 0 195.306 2.252 10 30 AEEERN C[C@H]1C=CC(=O)C[C@@H]1C(C)(C)C#N 196633551 572425565 /nfs/dbraw/zinc/42/55/65/572425565.db2.gz JPIKCBTUGPPBJT-WPRPVWTQSA-N 0 0 177.247 2.317 10 30 AEEERN C=C1[C@@H]2CC[C@@H](C2)[C@]1(C)CCO 307217727 572425598 /nfs/dbraw/zinc/42/55/98/572425598.db2.gz MYGDFGIGJANVGM-OUAUKWLOSA-N 0 0 166.264 2.361 10 30 AEEERN C=C(C)[C@H](O)c1cc(F)cc(OC)c1 307257795 572425600 /nfs/dbraw/zinc/42/56/00/572425600.db2.gz PZHZWGMPXDQFFD-NSHDSACASA-N 0 0 196.221 2.444 10 30 AEEERN C#CCCN[C@H]1CCCCC1(F)F 307218115 572425640 /nfs/dbraw/zinc/42/56/40/572425640.db2.gz VISYZVRKWWHDMQ-VIFPVBQESA-N 0 0 187.233 2.177 10 30 AEEERN C#CC[C@]12C=CCC=C1C=CC2=O 196629396 572425675 /nfs/dbraw/zinc/42/56/75/572425675.db2.gz IBWJFPPBAUSYTQ-LBPRGKRZSA-N 0 0 170.211 2.021 10 30 AEEERN CC[C@@H]1SC[C@@H]2CC(=O)C=C12 196632039 572425812 /nfs/dbraw/zinc/42/58/12/572425812.db2.gz ZPWZHFKODONBHL-RCOVLWMOSA-N 0 0 168.261 2.027 10 30 AEEERN C=C[C@](C)(O)Cc1ccc(OC)cc1 83813376 572425763 /nfs/dbraw/zinc/42/57/63/572425763.db2.gz OLCTXWPJMJSHHQ-LBPRGKRZSA-N 0 0 192.258 2.175 10 30 AEEERN CO[C@@H](C#N)c1cc(C)ccc1F 234721772 572425884 /nfs/dbraw/zinc/42/58/84/572425884.db2.gz SIGOWPNVIPCDCI-JTQLQIEISA-N 0 0 179.194 2.345 10 30 AEEERN C#CC[C@@]12C=CCC=C1CCC2=O 196628839 572425939 /nfs/dbraw/zinc/42/59/39/572425939.db2.gz BVICWEXJATWEKT-GFCCVEGCSA-N 0 0 172.227 2.245 10 30 AEEERN C[Si](C)(C)c1cccc(CC#N)c1 196624026 572426042 /nfs/dbraw/zinc/42/60/42/572426042.db2.gz WYQSXFDQLRCSKQ-UHFFFAOYSA-N 0 0 189.334 2.298 10 30 AEEERN C#CC[C@@]12C=CCC=C1C=CC2=O 196629387 572426068 /nfs/dbraw/zinc/42/60/68/572426068.db2.gz IBWJFPPBAUSYTQ-GFCCVEGCSA-N 0 0 170.211 2.021 10 30 AEEERN C=C[C@@H](O)c1cccc(OCC)c1 83813413 572426135 /nfs/dbraw/zinc/42/61/35/572426135.db2.gz WKCNWOJHORQEPW-LLVKDONJSA-N 0 0 178.231 2.305 10 30 AEEERN CC[C@H]1SC[C@@H]2CC(=O)C=C21 196632029 572426197 /nfs/dbraw/zinc/42/61/97/572426197.db2.gz ZPWZHFKODONBHL-IMTBSYHQSA-N 0 0 168.261 2.027 10 30 AEEERN CC#C[C@@]1(O)CCCc2ccccc21 307274510 572426265 /nfs/dbraw/zinc/42/62/65/572426265.db2.gz ZMKHYLNIPADJTQ-CYBMUJFWSA-N 0 0 186.254 2.234 10 30 AEEERN C=C[C@H](O)c1ccccc1OCC 83813405 572426325 /nfs/dbraw/zinc/42/63/25/572426325.db2.gz WWGOUULQXCBZMF-JTQLQIEISA-N 0 0 178.231 2.305 10 30 AEEERN CO[C@@H](C#N)c1cc(F)ccc1C 234722003 572426335 /nfs/dbraw/zinc/42/63/35/572426335.db2.gz OFOCUGGLBRKGGO-JTQLQIEISA-N 0 0 179.194 2.345 10 30 AEEERN C=C(C)C[C@@H](O)c1ccc(C)cn1 307278151 572426339 /nfs/dbraw/zinc/42/63/39/572426339.db2.gz TUSODPGZIFCXNQ-LLVKDONJSA-N 0 0 177.247 2.390 10 30 AEEERN C=C[C@@H](O)[C@H](C)C(C)(C)C 307250681 572426374 /nfs/dbraw/zinc/42/63/74/572426374.db2.gz MGLCKUXVMHAXOR-JGVFFNPUSA-N 0 0 142.242 2.216 10 30 AEEERN CC[C@]12C=CCC=C1C=CC2=O 196629315 572426376 /nfs/dbraw/zinc/42/63/76/572426376.db2.gz OULVSMRRLWEEFQ-NSHDSACASA-N 0 0 160.216 2.408 10 30 AEEERN C=C[C@@H](O)[C@@H](C)C(C)(C)C 307250680 572426423 /nfs/dbraw/zinc/42/64/23/572426423.db2.gz MGLCKUXVMHAXOR-HTQZYQBOSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@H](O)c1cccc(OCC)c1 83813415 572426438 /nfs/dbraw/zinc/42/64/38/572426438.db2.gz WKCNWOJHORQEPW-NSHDSACASA-N 0 0 178.231 2.305 10 30 AEEERN C=C1[C@@H](C[C@H](C)O)[C@]1(C)CC 307293139 572426476 /nfs/dbraw/zinc/42/64/76/572426476.db2.gz BVSZWSCEARSHIY-FXBDTBDDSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@]12C=CCC1=CC(=O)CC2 196628714 572426477 /nfs/dbraw/zinc/42/64/77/572426477.db2.gz OJKQJTOWLYVNQZ-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN C[C@@H]1C=CC(=O)C[C@@H]1C(C)(C)C#N 196633543 572426502 /nfs/dbraw/zinc/42/65/02/572426502.db2.gz JPIKCBTUGPPBJT-SCZZXKLOSA-N 0 0 177.247 2.317 10 30 AEEERN CC#C[C@](C)(O)Cc1cccc(F)c1 307208909 572426515 /nfs/dbraw/zinc/42/65/15/572426515.db2.gz ORWOVRHHFQWISX-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN C=C[C@H](O)[C@@H]1C=CC[C@H](C)C1 307230035 572426585 /nfs/dbraw/zinc/42/65/85/572426585.db2.gz AIHUHQWBWKDVER-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@H](C)N(CCC(C)C)OC 308019767 572426729 /nfs/dbraw/zinc/42/67/29/572426729.db2.gz TWOKTEKXEMBHRW-JTQLQIEISA-N 0 0 171.284 2.470 10 30 AEEERN C#C[C@]12CC[C@](C)([C@H](O)C1)C2(C)C 307244138 572426748 /nfs/dbraw/zinc/42/67/48/572426748.db2.gz KYGQEHXRKZPAKG-JLLWLGSASA-N 0 0 178.275 2.197 10 30 AEEERN CCCCC[C@H](O)[C@H]1CCC=CC1=O 238239379 572426818 /nfs/dbraw/zinc/42/68/18/572426818.db2.gz NVVHFQYRGAXJNG-MNOVXSKESA-N 0 0 196.290 2.463 10 30 AEEERN C=C[C@@H](C)C[C@H](C)C(C)=O 307222186 572426925 /nfs/dbraw/zinc/42/69/25/572426925.db2.gz YPRNPQSXRKIGLK-SFYZADRCSA-N 0 0 140.226 2.424 10 30 AEEERN C=C[C@H](O)C1(OC)CCC(C)CC1 307275385 572426955 /nfs/dbraw/zinc/42/69/55/572426955.db2.gz QUEMAPRWDXIMMO-YVNMAJEFSA-N 0 0 184.279 2.129 10 30 AEEERN C=C[C@@](C)(O)Cc1ccc(OC)cc1 83813378 572427111 /nfs/dbraw/zinc/42/71/11/572427111.db2.gz OLCTXWPJMJSHHQ-GFCCVEGCSA-N 0 0 192.258 2.175 10 30 AEEERN C#CCN1CCc2ccc(Cl)cc21 307202474 572427153 /nfs/dbraw/zinc/42/71/53/572427153.db2.gz DJCHWNMCWDUSRO-UHFFFAOYSA-N 0 0 191.661 2.336 10 30 AEEERN C=C[C@@H](O)c1ccc(OCC)cc1 83813397 572427195 /nfs/dbraw/zinc/42/71/95/572427195.db2.gz XQXXXSVIZIJLGE-LLVKDONJSA-N 0 0 178.231 2.305 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1NC(N)=O 307285476 572427235 /nfs/dbraw/zinc/42/72/35/572427235.db2.gz MJFGKWFJGMHFJQ-LPEHRKFASA-N 0 0 196.294 2.036 10 30 AEEERN C/C=C(/C)C[C@@H](C)C=O 208788469 572427265 /nfs/dbraw/zinc/42/72/65/572427265.db2.gz QIGOHFLKAFHWDZ-RBMBQVQZSA-N 0 0 126.199 2.178 10 30 AEEERN CC#CC[C@H](O)[C@H](C)C(C)(C)C 307219902 572427368 /nfs/dbraw/zinc/42/73/68/572427368.db2.gz WRELPJNEPDOICP-UWVGGRQHSA-N 0 0 168.280 2.443 10 30 AEEERN C=C[C@@H](O)c1ccccc1OCC 83813404 572427662 /nfs/dbraw/zinc/42/76/62/572427662.db2.gz WWGOUULQXCBZMF-SNVBAGLBSA-N 0 0 178.231 2.305 10 30 AEEERN CCCS[C@H](CO)CCCC#N 238238017 572427669 /nfs/dbraw/zinc/42/76/69/572427669.db2.gz YOHVIMRFJKRNFF-VIFPVBQESA-N 0 0 187.308 2.184 10 30 AEEERN CCC[C@H]1O[C@H]1[C@@H](C)CC(C)=O 238237931 572427868 /nfs/dbraw/zinc/42/78/68/572427868.db2.gz GGTJSTQPTSNXRC-SFGNSQDASA-N 0 0 170.252 2.169 10 30 AEEERN C=C[C@@]12C=C[C@@H](CC1)C[C@@H]2CO 307216729 572427900 /nfs/dbraw/zinc/42/79/00/572427900.db2.gz LYLMQOKCAMXOFE-HBNTYKKESA-N 0 0 164.248 2.137 10 30 AEEERN C=C[C@@H]1[C@H](O)CCC[C@@]12CCCC2=O 307261515 572427953 /nfs/dbraw/zinc/42/79/53/572427953.db2.gz POJBBSWZQPFOCZ-CKYFFXLPSA-N 0 0 194.274 2.073 10 30 AEEERN C=C[C@H](O)c1ccc(OCC)cc1 83813398 572427967 /nfs/dbraw/zinc/42/79/67/572427967.db2.gz XQXXXSVIZIJLGE-NSHDSACASA-N 0 0 178.231 2.305 10 30 AEEERN C=C(C)CC[N@H+]1CCC(=O)[C@H](C)[C@H]1C 307216891 572427983 /nfs/dbraw/zinc/42/79/83/572427983.db2.gz FQDSRTWFQAJIMA-GHMZBOCLSA-N 0 0 195.306 2.252 10 30 AEEERN C#C[C@H](C=C)[C@@H](O)CCCCC 238238076 572428101 /nfs/dbraw/zinc/42/81/01/572428101.db2.gz UTQGIQQJOCTZBA-MNOVXSKESA-N 0 0 166.264 2.363 10 30 AEEERN C=C[C@H]1[C@@H]2CCCCC[C@@H](O)[C@H]12 307249379 572428171 /nfs/dbraw/zinc/42/81/71/572428171.db2.gz OJSKURHMUKAYGQ-UKKRHICBSA-N 0 0 166.264 2.360 10 30 AEEERN CC#C[C@@]1(O)CC(C)(C)C[C@H]1C 307237353 572428264 /nfs/dbraw/zinc/42/82/64/572428264.db2.gz OHFQUZZODWQZJS-MWLCHTKSSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@](C)(C=C)[C@@H]1CCCC[C@H]1O 307292634 572428309 /nfs/dbraw/zinc/42/83/09/572428309.db2.gz MCFXGHFCIWCLNT-IJLUTSLNSA-N 0 0 178.275 2.363 10 30 AEEERN CCCCC[C@H](O)[C@@H](C)CC#N 238237982 572428355 /nfs/dbraw/zinc/42/83/55/572428355.db2.gz XBSVVSSRQXNJJO-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN C[C@@H]1CC(=O)C2=CCC[C@H]2C1 208789134 572428509 /nfs/dbraw/zinc/42/85/09/572428509.db2.gz QXWBRNRPZOJQAE-YUMQZZPRSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC[C@H](O)c1cncc(Cl)c1 307292831 572428684 /nfs/dbraw/zinc/42/86/84/572428684.db2.gz DRACMOJCKBALJH-VIFPVBQESA-N 0 0 183.638 2.345 10 30 AEEERN C=C1CC(=O)C2(CCCCC2)[C@H]1OC 307243013 572428705 /nfs/dbraw/zinc/42/87/05/572428705.db2.gz JANUYKOTFCEWBS-NSHDSACASA-N 0 0 194.274 2.481 10 30 AEEERN C=C1CC[C@H]2CCC[C@]12CO 307283949 572428719 /nfs/dbraw/zinc/42/87/19/572428719.db2.gz KJVXDNSSAONUJG-ZJUUUORDSA-N 0 0 152.237 2.115 10 30 AEEERN C=C1C[C@H](O)C[C@]2(C)CC(=O)CC[C@H]12 307208050 572428734 /nfs/dbraw/zinc/42/87/34/572428734.db2.gz JANDGUAWLWJQIR-TUAOUCFPSA-N 0 0 194.274 2.073 10 30 AEEERN C#CC[C@H]1CC[C@@H]2CC(=O)C[C@]12C 307224740 572428761 /nfs/dbraw/zinc/42/87/61/572428761.db2.gz SWPWZCNVQANUFC-HOSYDEDBSA-N 0 0 176.259 2.405 10 30 AEEERN C/C=C(/C)C[C@H](C)C=O 208788505 572428889 /nfs/dbraw/zinc/42/88/89/572428889.db2.gz QIGOHFLKAFHWDZ-NZGHECTNSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCC(=O)c1cnc2ccccn12 76631389 572428910 /nfs/dbraw/zinc/42/89/10/572428910.db2.gz NGNIFRYVATZEJO-UHFFFAOYSA-N 0 0 186.214 2.093 10 30 AEEERN CC1([C@](C)(C#N)NCC2CC2)CC1 87364328 572432656 /nfs/dbraw/zinc/43/26/56/572432656.db2.gz GVIHJWUSRYTJKI-NSHDSACASA-N 0 0 178.279 2.068 10 30 AEEERN C[C@@H]1CC[C@](C=O)(CCCCO)C1 317398882 572429308 /nfs/dbraw/zinc/42/93/08/572429308.db2.gz ZJXXMHQMCJQJJK-GHMZBOCLSA-N 0 0 184.279 2.154 10 30 AEEERN C=C[C@@H](C)ON=C1CCCCCN1 307235301 572429317 /nfs/dbraw/zinc/42/93/17/572429317.db2.gz DIGQBIJMWHXVEI-SECBINFHSA-N 0 0 182.267 2.055 10 30 AEEERN C(=Nc1ccccc1)c1ncc[nH]1 308019144 572429327 /nfs/dbraw/zinc/42/93/27/572429327.db2.gz QWLQFZWMRSRJHH-UHFFFAOYSA-N 0 0 171.203 2.160 10 30 AEEERN C[C@H]1CC[C@](C=O)(CCCCO)C1 317398903 572429595 /nfs/dbraw/zinc/42/95/95/572429595.db2.gz ZJXXMHQMCJQJJK-WDEREUQCSA-N 0 0 184.279 2.154 10 30 AEEERN C[C@H]1CC(=O)C2=CCC[C@@H]2C1 208789172 572429855 /nfs/dbraw/zinc/42/98/55/572429855.db2.gz QXWBRNRPZOJQAE-HTQZYQBOSA-N 0 0 150.221 2.322 10 30 AEEERN CCCCC[C@H](O)[C@H](C)CC#N 238238860 572430420 /nfs/dbraw/zinc/43/04/20/572430420.db2.gz XBSVVSSRQXNJJO-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN C=CC[C@@H]1Cc2cc(O)ccc2N1 307296194 572430543 /nfs/dbraw/zinc/43/05/43/572430543.db2.gz QMOJQMGTCSABHK-SECBINFHSA-N 0 0 175.231 2.305 10 30 AEEERN C=CC(C)(C)[C@H]1C[C@@H](C)[C@H]1O 307231013 572430768 /nfs/dbraw/zinc/43/07/68/572430768.db2.gz DEDVJGFNDLYSPR-HRDYMLBCSA-N 0 0 154.253 2.216 10 30 AEEERN CC(=O)C(=O)CNc1ccccc1 308022392 572430877 /nfs/dbraw/zinc/43/08/77/572430877.db2.gz UKTOXAZOADXRGG-JXMROGBWSA-N 0 0 177.203 2.087 10 30 AEEERN CCC[C@H](C#N)[C@](C)(O)C1(C)CC1 87369188 572430891 /nfs/dbraw/zinc/43/08/91/572430891.db2.gz ZKLHHRLUJAELRD-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)CN[C@@](C)(C#N)C1(C)CC1 87364243 572431062 /nfs/dbraw/zinc/43/10/62/572431062.db2.gz JPRGEURFEFNMTJ-NSHDSACASA-N 0 0 180.295 2.314 10 30 AEEERN C#C[C@H](Nc1ccc(C)cn1)C(C)C 300984455 572431076 /nfs/dbraw/zinc/43/10/76/572431076.db2.gz USFIEGLATAKPFD-NSHDSACASA-N 0 0 188.274 2.460 10 30 AEEERN CCCC(N)=NOC1CCCC1 308021858 572431113 /nfs/dbraw/zinc/43/11/13/572431113.db2.gz VXLGZCNOXSMSCK-UHFFFAOYSA-N 0 0 170.256 2.018 10 30 AEEERN CCCCC[C@H](O)[C@@]1(C)O[C@@H]1CC 238238795 572431530 /nfs/dbraw/zinc/43/15/30/572431530.db2.gz QRYWWTXBJIXQNB-HBNTYKKESA-N 0 0 186.295 2.495 10 30 AEEERN Cn1cc(CC=O)c2cccc(F)c21 76634881 572433609 /nfs/dbraw/zinc/43/36/09/572433609.db2.gz BFZAOIQGODQUSQ-UHFFFAOYSA-N 0 0 191.205 2.059 10 30 AEEERN CC(C)CC[C@@](N)(C#N)C1CC1 308022039 572431405 /nfs/dbraw/zinc/43/14/05/572431405.db2.gz VBZGOMMOHCQGMA-SNVBAGLBSA-N 0 0 166.268 2.054 10 30 AEEERN CCCN[C@@](C)(C#N)C1(C)CC1 87364176 572431497 /nfs/dbraw/zinc/43/14/97/572431497.db2.gz BJXKJGSFHCBHSC-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN C=C(C)[C@H](O)C(C1CC1)C1CC1 308021409 572431572 /nfs/dbraw/zinc/43/15/72/572431572.db2.gz UVLFWJGMQSTVDY-NSHDSACASA-N 0 0 166.264 2.360 10 30 AEEERN CCCCC[C@H](O)[C@H]1OC1(C)C 238239544 572431695 /nfs/dbraw/zinc/43/16/95/572431695.db2.gz JYJMCQPKMGCHJP-DTWKUNHWSA-N 0 0 172.268 2.105 10 30 AEEERN CC(C)CN[C@](C)(C#N)C1(C)CC1 87364245 572431839 /nfs/dbraw/zinc/43/18/39/572431839.db2.gz JPRGEURFEFNMTJ-LLVKDONJSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H](C)N[C@](C)(C#N)C1(C)CC1 87364372 572431908 /nfs/dbraw/zinc/43/19/08/572431908.db2.gz ILRFMEOANWFIGN-MWLCHTKSSA-N 0 0 180.295 2.457 10 30 AEEERN C=C(C)[C@H](O)CSCCC 307304738 572431949 /nfs/dbraw/zinc/43/19/49/572431949.db2.gz CCDLYOIMVZYMLR-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN C#C[C@@H](C)[C@@H](O)CCCCC 238238806 572431953 /nfs/dbraw/zinc/43/19/53/572431953.db2.gz PNPJZHJOKXXMKY-ZJUUUORDSA-N 0 0 154.253 2.197 10 30 AEEERN CCC[C@@H](C#N)[C@@](C)(O)C1(C)CC1 87369191 572431954 /nfs/dbraw/zinc/43/19/54/572431954.db2.gz ZKLHHRLUJAELRD-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C)N[C@](C)(C#N)C1(C)CC1 87364374 572432055 /nfs/dbraw/zinc/43/20/55/572432055.db2.gz ILRFMEOANWFIGN-GXSJLCMTSA-N 0 0 180.295 2.457 10 30 AEEERN C=C(C)[C@@H](O)C(C1CC1)C1CC1 308021403 572432480 /nfs/dbraw/zinc/43/24/80/572432480.db2.gz UVLFWJGMQSTVDY-LLVKDONJSA-N 0 0 166.264 2.360 10 30 AEEERN C=CCSCc1cccnc1N 308022036 572432712 /nfs/dbraw/zinc/43/27/12/572432712.db2.gz VBXKWZGQEVVRRM-UHFFFAOYSA-N 0 0 180.276 2.083 10 30 AEEERN C=C[C@@H]1CCC[C@@H]1[C@@H](O)CC 307292624 572432936 /nfs/dbraw/zinc/43/29/36/572432936.db2.gz MBDHLVQBSLHCLW-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN CCN(CC)[C@](C)(C#N)C1(C)CC1 87366454 572433181 /nfs/dbraw/zinc/43/31/81/572433181.db2.gz FRPIBTYYKUVBNP-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C)N[C@@](C)(C#N)C1(C)CC1 87364369 572433192 /nfs/dbraw/zinc/43/31/92/572433192.db2.gz ILRFMEOANWFIGN-KOLCDFICSA-N 0 0 180.295 2.457 10 30 AEEERN CCCCC[C@H](O)[C@@]1(C)O[C@@H]1C 238238786 572433240 /nfs/dbraw/zinc/43/32/40/572433240.db2.gz AWHCZUOFWVADJS-UTLUCORTSA-N 0 0 172.268 2.105 10 30 AEEERN CC(C)CC[C@](N)(C#N)C1CC1 308022037 572433242 /nfs/dbraw/zinc/43/32/42/572433242.db2.gz VBZGOMMOHCQGMA-JTQLQIEISA-N 0 0 166.268 2.054 10 30 AEEERN CCC[C@@H](C#N)[C@](C)(O)C1(C)CC1 87369186 572433319 /nfs/dbraw/zinc/43/33/19/572433319.db2.gz ZKLHHRLUJAELRD-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN COCC#CCNc1cccc(C)c1 307232118 572433389 /nfs/dbraw/zinc/43/33/89/572433389.db2.gz BUJSJFAIUBRITI-UHFFFAOYSA-N 0 0 189.258 2.057 10 30 AEEERN CCC[C@H](C#N)[C@@](C)(O)C1(C)CC1 87369193 572433472 /nfs/dbraw/zinc/43/34/72/572433472.db2.gz ZKLHHRLUJAELRD-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CSCC[C@]1(C#N)CCCOC1 235041405 572433621 /nfs/dbraw/zinc/43/36/21/572433621.db2.gz FLSYLCORZYXCLF-VIFPVBQESA-N 0 0 185.292 2.060 10 30 AEEERN C=C(COC)[C@@]1(O)CCC(C)(C)C1 307246351 572433629 /nfs/dbraw/zinc/43/36/29/572433629.db2.gz XUAQPHSJYPBTPD-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN CCCN[C@](C)(C#N)C1(C)CC1 87364178 572433665 /nfs/dbraw/zinc/43/36/65/572433665.db2.gz BJXKJGSFHCBHSC-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN C[Si](C)(C)/C=C/CC=O 208824554 572433757 /nfs/dbraw/zinc/43/37/57/572433757.db2.gz ALHNNEKFSYLQQX-FNORWQNLSA-N 0 0 142.274 2.009 10 30 AEEERN C/C(=N/Cc1ccccc1)[C@H](C)O 308027038 572434112 /nfs/dbraw/zinc/43/41/12/572434112.db2.gz IPJOOYMOJYMBQN-JMZICWNOSA-N 0 0 177.247 2.028 10 30 AEEERN CCCNC(C)=CC(=O)C(F)(F)F 308025433 572434422 /nfs/dbraw/zinc/43/44/22/572434422.db2.gz WJFYNFBAGUYWFG-WAYWQWQTSA-N 0 0 195.184 2.021 10 30 AEEERN C=CCC(=C)COCC 307391601 572434499 /nfs/dbraw/zinc/43/44/99/572434499.db2.gz WQGUZLZXSDFBHQ-UHFFFAOYSA-N 0 0 126.199 2.155 10 30 AEEERN C#C[C@@H](C=C)[C@@H](O)CCCCC 238238938 572434688 /nfs/dbraw/zinc/43/46/88/572434688.db2.gz UTQGIQQJOCTZBA-QWRGUYRKSA-N 0 0 166.264 2.363 10 30 AEEERN C=C(CC)COC(=O)/C=C/CC 308026343 572434699 /nfs/dbraw/zinc/43/46/99/572434699.db2.gz ZIZUIEGMISHACF-VOTSOKGWSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(CC)COC(=O)/C=C\CC 308026342 572434744 /nfs/dbraw/zinc/43/47/44/572434744.db2.gz ZIZUIEGMISHACF-SREVYHEPSA-N 0 0 168.236 2.462 10 30 AEEERN C#CCN1CCC(Cl)=C(Cl)C1 307366441 572434762 /nfs/dbraw/zinc/43/47/62/572434762.db2.gz KRPDQGKIAVBLNV-UHFFFAOYSA-N 0 0 190.073 2.015 10 30 AEEERN C=C(C)CN(C)c1ccccc1N 307366956 572435370 /nfs/dbraw/zinc/43/53/70/572435370.db2.gz NXAYZXPFTQWGFU-UHFFFAOYSA-N 0 0 176.263 2.281 10 30 AEEERN C#CCCC[C@]1(O)C[C@@H](C)[C@H]1C 307302335 572435375 /nfs/dbraw/zinc/43/53/75/572435375.db2.gz YWXUTQYMAPNYHH-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@@H](CC#N)C(=O)c1ccco1 238799725 572435515 /nfs/dbraw/zinc/43/55/15/572435515.db2.gz BSWSJKXXEUOMHU-QMMMGPOBSA-N 0 0 177.203 2.402 10 30 AEEERN CC[C@@H](C=O)N(C)c1ccccc1 238799575 572435619 /nfs/dbraw/zinc/43/56/19/572435619.db2.gz VYBWZCKKJLKYCK-JTQLQIEISA-N 0 0 177.247 2.100 10 30 AEEERN C=C[C@H](C)Nc1ncc(SC)cn1 307318006 572435677 /nfs/dbraw/zinc/43/56/77/572435677.db2.gz LNCKJLYEEYZFJN-ZETCQYMHSA-N 0 0 195.291 2.185 10 30 AEEERN O=C[C@H](Cc1cccc(O)c1)C1CC1 107175345 572435726 /nfs/dbraw/zinc/43/57/26/572435726.db2.gz BHBQTFHGKNVFGQ-NSHDSACASA-N 0 0 190.242 2.160 10 30 AEEERN C=C[C@@H](OC)[C@@H](O)CCCCC 238239309 572435907 /nfs/dbraw/zinc/43/59/07/572435907.db2.gz NRPKVEQSLUEJRJ-VHSXEESVSA-N 0 0 172.268 2.129 10 30 AEEERN CCCCC1=C(CC)[C@@H](O)CC1=O 238239315 572436387 /nfs/dbraw/zinc/43/63/87/572436387.db2.gz ZIYPCEZJMRQCHA-JTQLQIEISA-N 0 0 182.263 2.217 10 30 AEEERN CCCCC1=C(CC)[C@H](O)CC1=O 238239321 572436024 /nfs/dbraw/zinc/43/60/24/572436024.db2.gz ZIYPCEZJMRQCHA-SNVBAGLBSA-N 0 0 182.263 2.217 10 30 AEEERN CC[C@@H](CC(C)=O)C(C)(C)C=O 238800059 572436267 /nfs/dbraw/zinc/43/62/67/572436267.db2.gz ZWPNMJGVYYCNNU-VIFPVBQESA-N 0 0 170.252 2.217 10 30 AEEERN CCCN(CC#N)CC1CCC1 83838970 572436484 /nfs/dbraw/zinc/43/64/84/572436484.db2.gz XFVXOBLBNWNWJT-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN C=C[C@H](CC)[C@H](CO)C(C)C 238799496 572436726 /nfs/dbraw/zinc/43/67/26/572436726.db2.gz CNPNCFVYGISWOJ-NXEZZACHSA-N 0 0 156.269 2.463 10 30 AEEERN Cc1nc(C)c(-c2cncc(C#N)c2)o1 74236359 572436994 /nfs/dbraw/zinc/43/69/94/572436994.db2.gz KCXLOFPJNKWKDL-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C/C(=N/Cc1ccccc1)[C@@H](C)O 308027042 572436955 /nfs/dbraw/zinc/43/69/55/572436955.db2.gz IPJOOYMOJYMBQN-WJEYQPDNSA-N 0 0 177.247 2.028 10 30 AEEERN C[C@H](C#N)c1cnc(-c2cccnc2)o1 74236299 572437067 /nfs/dbraw/zinc/43/70/67/572437067.db2.gz VLEJJYWDZVDMOA-MRVPVSSYSA-N 0 0 199.213 2.364 10 30 AEEERN C[C@H](C#N)c1cc(-c2ccccn2)no1 74236348 572437081 /nfs/dbraw/zinc/43/70/81/572437081.db2.gz DSEVFNACFOWSMY-MRVPVSSYSA-N 0 0 199.213 2.364 10 30 AEEERN CCCCCCCn1ccnc1C[NH3+] 88379551 572437442 /nfs/dbraw/zinc/43/74/42/572437442.db2.gz VDZOFLIRFITLCO-UHFFFAOYSA-N 0 0 195.310 2.312 10 30 AEEERN C[C@H](c1ccccc1)c1noc(C#N)n1 74236340 572437457 /nfs/dbraw/zinc/43/74/57/572437457.db2.gz XGVUYHSACVNHBK-MRVPVSSYSA-N 0 0 199.213 2.093 10 30 AEEERN C[C@H](C#N)c1cnc(-c2ccco2)cn1 74236290 572437460 /nfs/dbraw/zinc/43/74/60/572437460.db2.gz TZDAAUJJQNXLEK-MRVPVSSYSA-N 0 0 199.213 2.364 10 30 AEEERN C[C@@H](C#N)c1cnc(-c2ccco2)cn1 74236289 572437597 /nfs/dbraw/zinc/43/75/97/572437597.db2.gz TZDAAUJJQNXLEK-QMMMGPOBSA-N 0 0 199.213 2.364 10 30 AEEERN CC[C@H](C#N)N(C)CCC(F)(F)F 83879631 572437625 /nfs/dbraw/zinc/43/76/25/572437625.db2.gz KYSAXMZWWZSFGY-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN C=CC[C@](C)(C=O)CCC#N 238803588 572437771 /nfs/dbraw/zinc/43/77/71/572437771.db2.gz PBWDJNKQQGVKOP-VIFPVBQESA-N 0 0 151.209 2.071 10 30 AEEERN CC#CC[C@H](NN)[C@H]1CCCC[C@@H]1C 307329054 572437995 /nfs/dbraw/zinc/43/79/95/572437995.db2.gz KZUMDSWOEAJTFZ-SRVKXCTJSA-N 0 0 194.322 2.058 10 30 AEEERN CCc1cc(C#N)cnc1-c1cnco1 74236364 572437999 /nfs/dbraw/zinc/43/79/99/572437999.db2.gz BQHSHNQYEBHQPM-UHFFFAOYSA-N 0 0 199.213 2.171 10 30 AEEERN CC[C@@H](C#N)N(C)CCC(F)(F)F 83879629 572438005 /nfs/dbraw/zinc/43/80/05/572438005.db2.gz KYSAXMZWWZSFGY-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN Cc1ncc(C#N)cc1-c1cnoc1C 74236367 572438009 /nfs/dbraw/zinc/43/80/09/572438009.db2.gz MYONYGHQJOAGFW-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN Cc1nc(CC#N)oc1-c1cccnc1 74236292 572438271 /nfs/dbraw/zinc/43/82/71/572438271.db2.gz JUBSRBREYINITP-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN C=C[C@](C)(CO)CCCCC#N 238803766 572438408 /nfs/dbraw/zinc/43/84/08/572438408.db2.gz GBEQIBIUUNGTKH-JTQLQIEISA-N 0 0 167.252 2.255 10 30 AEEERN COC(=O)C1([C@H](C)CC#N)CCCC1 76636515 572438415 /nfs/dbraw/zinc/43/84/15/572438415.db2.gz SWTWQYPJMMVLDS-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CCCCC[C@H](O)[C@]1(C)O[C@@H]1CC 238239645 572438439 /nfs/dbraw/zinc/43/84/39/572438439.db2.gz QRYWWTXBJIXQNB-AXFHLTTASA-N 0 0 186.295 2.495 10 30 AEEERN CCCCC1=C(OCC)CC1=O 238239593 572438450 /nfs/dbraw/zinc/43/84/50/572438450.db2.gz MXQMABJLQGVQTB-UHFFFAOYSA-N 0 0 168.236 2.440 10 30 AEEERN Cc1ccc(-c2noc(C#N)n2)c(C)c1 74236341 572438480 /nfs/dbraw/zinc/43/84/80/572438480.db2.gz NEVLUHCVFRULRL-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN COC(=O)/C=C(/C)CCC[C@@H](C)C=O 238801701 572438501 /nfs/dbraw/zinc/43/85/01/572438501.db2.gz JCZTZMDSLHLPHI-UJICNMFASA-N 0 0 198.262 2.111 10 30 AEEERN Cc1cc(C#N)cnc1-c1conc1C 74236362 572438634 /nfs/dbraw/zinc/43/86/34/572438634.db2.gz CNYQTBOVEDEZDF-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN Cc1cnc(-c2ncc(C#N)cc2C)o1 74236360 572438670 /nfs/dbraw/zinc/43/86/70/572438670.db2.gz XRYMTGWEURXWDS-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C[C@@H](c1ccccc1)c1noc(C#N)n1 74236338 572438788 /nfs/dbraw/zinc/43/87/88/572438788.db2.gz XGVUYHSACVNHBK-QMMMGPOBSA-N 0 0 199.213 2.093 10 30 AEEERN C[C@@](C#N)(CCO)Cc1ccccc1 238803646 572438882 /nfs/dbraw/zinc/43/88/82/572438882.db2.gz XIRTURRIJRZGOZ-GFCCVEGCSA-N 0 0 189.258 2.141 10 30 AEEERN Cc1ncc(-c2ncc(C#N)cc2C)o1 74236366 572438998 /nfs/dbraw/zinc/43/89/98/572438998.db2.gz XEOYYNIEDCCFPJ-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN Cc1nc(CC#N)oc1-c1ccncc1 74236294 572439119 /nfs/dbraw/zinc/43/91/19/572439119.db2.gz SNAVWOJBOIEDJS-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN C[C@@H](C#N)c1ncc(-c2ccncc2)o1 74236300 572439209 /nfs/dbraw/zinc/43/92/09/572439209.db2.gz ZKQYDDWXOCIATO-QMMMGPOBSA-N 0 0 199.213 2.364 10 30 AEEERN CC#C[C@]1(O)C[C@@H](C)CC[C@@H]1C 307374389 572439544 /nfs/dbraw/zinc/43/95/44/572439544.db2.gz XXSUNHHXKKRVGL-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#C/C=C/[NH2+]CCCCCC 238239579 572439715 /nfs/dbraw/zinc/43/97/15/572439715.db2.gz NESLPIOYRFXRFW-RMKNXTFCSA-N 0 0 151.253 2.303 10 30 AEEERN C=CC[C@]1(O)CCC[C@H]2C[C@H]21 307303877 572440435 /nfs/dbraw/zinc/44/04/35/572440435.db2.gz GKTUKGMSKUATFY-AEJSXWLSSA-N 0 0 152.237 2.114 10 30 AEEERN C[C@@H](C#N)c1cc(-c2ccccn2)no1 74236347 572440456 /nfs/dbraw/zinc/44/04/56/572440456.db2.gz DSEVFNACFOWSMY-QMMMGPOBSA-N 0 0 199.213 2.364 10 30 AEEERN C=CC[C@@H](O)Cc1ccc(F)cc1F 83882394 572440488 /nfs/dbraw/zinc/44/04/88/572440488.db2.gz IFUQIYORINSQBL-SNVBAGLBSA-N 0 0 198.212 2.444 10 30 AEEERN C[C@@](C#N)(CC=O)Cc1ccccc1 238803583 572440525 /nfs/dbraw/zinc/44/05/25/572440525.db2.gz AAHLZZMAKNKEAS-GFCCVEGCSA-N 0 0 187.242 2.348 10 30 AEEERN C=C[C@H](C)N(C)C(=O)OC(C)(C)C 307361490 572440541 /nfs/dbraw/zinc/44/05/41/572440541.db2.gz HMWZIBGGJBSZCY-QMMMGPOBSA-N 0 0 185.267 2.428 10 30 AEEERN C[C@@H](CCC=O)[C@H]1CC[C@@H](C)[C@@H](O)C1 238804282 572440553 /nfs/dbraw/zinc/44/05/53/572440553.db2.gz SCXCVPSWJLXGGN-USZNOCQGSA-N 0 0 198.306 2.399 10 30 AEEERN C=C(Cl)CN(C)c1nccs1 307362894 572440695 /nfs/dbraw/zinc/44/06/95/572440695.db2.gz GWKCINFBPQDYEL-UHFFFAOYSA-N 0 0 188.683 2.332 10 30 AEEERN C=CC[C@](C)(C=O)c1cccnc1 238803551 572440707 /nfs/dbraw/zinc/44/07/07/572440707.db2.gz ISWNCELIYYXVIR-LLVKDONJSA-N 0 0 175.231 2.114 10 30 AEEERN COC(=O)C1(CCC#N)CCCCC1 76636510 572440844 /nfs/dbraw/zinc/44/08/44/572440844.db2.gz QFHVIFOKSPUVOV-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN COC(=O)/C=C(/C)CCC[C@H](C)C=O 238801704 572440862 /nfs/dbraw/zinc/44/08/62/572440862.db2.gz JCZTZMDSLHLPHI-RNKPRXRFSA-N 0 0 198.262 2.111 10 30 AEEERN C=CCSc1cc(C)nc(NC)n1 307353137 572440928 /nfs/dbraw/zinc/44/09/28/572440928.db2.gz NUIPRPJHAZMCDT-UHFFFAOYSA-N 0 0 195.291 2.105 10 30 AEEERN C[C@@H](C#N)c1nc(-c2ccncc2)c[nH]1 74238150 572441537 /nfs/dbraw/zinc/44/15/37/572441537.db2.gz CPOCAGOJEZEKSE-QMMMGPOBSA-N 0 0 198.229 2.099 10 30 AEEERN COC(=O)C1([C@@H](C)CC#N)CCCC1 76636512 572441513 /nfs/dbraw/zinc/44/15/13/572441513.db2.gz SWTWQYPJMMVLDS-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C#Cc1csc(Br)c1 307306011 572441597 /nfs/dbraw/zinc/44/15/97/572441597.db2.gz SEGAWKROMHXKFE-UHFFFAOYSA-N 0 0 187.061 2.492 10 30 AEEERN C#CCOCc1cc(C)nc(Cl)c1 307394677 572441699 /nfs/dbraw/zinc/44/16/99/572441699.db2.gz FASRQMYHPFNNJX-UHFFFAOYSA-N 0 0 195.649 2.193 10 30 AEEERN C=CC[C@H](O)Cc1ccc(F)cc1F 83882393 572441887 /nfs/dbraw/zinc/44/18/87/572441887.db2.gz IFUQIYORINSQBL-JTQLQIEISA-N 0 0 198.212 2.444 10 30 AEEERN C[C@H](C#N)c1c[nH]c(-c2ccccn2)n1 74238159 572441888 /nfs/dbraw/zinc/44/18/88/572441888.db2.gz GBABSCKSPGRFOL-MRVPVSSYSA-N 0 0 198.229 2.099 10 30 AEEERN C[C@@H](C#N)c1c[nH]c(-c2ccccn2)n1 74238158 572441947 /nfs/dbraw/zinc/44/19/47/572441947.db2.gz GBABSCKSPGRFOL-QMMMGPOBSA-N 0 0 198.229 2.099 10 30 AEEERN CCCCCCCn1ccnc1CO 88363199 572441957 /nfs/dbraw/zinc/44/19/57/572441957.db2.gz PROWTXSLWNUTGB-UHFFFAOYSA-N 0 0 196.294 2.346 10 30 AEEERN CCCCCCNC(C)(C)C#N 238241289 572441979 /nfs/dbraw/zinc/44/19/79/572441979.db2.gz KIURKQRRRZULFZ-UHFFFAOYSA-N 0 0 168.284 2.458 10 30 AEEERN C=CC[C@@H](O)c1cnc(C)cc1C 307356668 572442292 /nfs/dbraw/zinc/44/22/92/572442292.db2.gz ZPISJZUFQLZMQN-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN C=C1CC[C@@H](O)[C@@H]2CCCC[C@]2(O)C1 307321428 572442190 /nfs/dbraw/zinc/44/21/90/572442190.db2.gz QNFFPSLRBGHPMI-TUAOUCFPSA-N 0 0 196.290 2.009 10 30 AEEERN C=CC[C@@H](C(C)=O)C(=O)CCC 238241287 572442310 /nfs/dbraw/zinc/44/23/10/572442310.db2.gz XXTGSTNCHDFGSS-VIFPVBQESA-N 0 0 168.236 2.137 10 30 AEEERN C=C(CC)CNc1cccnc1N 307372482 572442514 /nfs/dbraw/zinc/44/25/14/572442514.db2.gz VGMJSFBOQASJRJ-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN CCCCC[C@@H](C=O)OCC 238240071 572442744 /nfs/dbraw/zinc/44/27/44/572442744.db2.gz APAHTIBFVWRAFE-VIFPVBQESA-N 0 0 158.241 2.171 10 30 AEEERN C#C[C@@H](C)Nc1ccc2c(c1)CCO2 307319810 572442752 /nfs/dbraw/zinc/44/27/52/572442752.db2.gz ODWGTZQLGOKGCX-SECBINFHSA-N 0 0 187.242 2.055 10 30 AEEERN C=C[C@@H](C)c1noc(CC2CC2)n1 349603421 572442860 /nfs/dbraw/zinc/44/28/60/572442860.db2.gz LPRFFMDLABCLAN-SSDOTTSWSA-N 0 0 178.235 2.312 10 30 AEEERN C#CCCSc1cc(C)nc(C)n1 307310669 572443274 /nfs/dbraw/zinc/44/32/74/572443274.db2.gz FNFQQUCMJSFUAH-UHFFFAOYSA-N 0 0 192.287 2.209 10 30 AEEERN C=C[C@@H](C)N(C)C(=O)OC(C)(C)C 307361488 572443425 /nfs/dbraw/zinc/44/34/25/572443425.db2.gz HMWZIBGGJBSZCY-MRVPVSSYSA-N 0 0 185.267 2.428 10 30 AEEERN C[C@H](C#N)c1nc(-c2ccncc2)c[nH]1 74238151 572443477 /nfs/dbraw/zinc/44/34/77/572443477.db2.gz CPOCAGOJEZEKSE-MRVPVSSYSA-N 0 0 198.229 2.099 10 30 AEEERN C=C1CC[C@H](O)[C@@H]2CCCC[C@]2(O)C1 307321427 572443558 /nfs/dbraw/zinc/44/35/58/572443558.db2.gz QNFFPSLRBGHPMI-SRVKXCTJSA-N 0 0 196.290 2.009 10 30 AEEERN C#CC(=O)Nc1sc(C)c(C)c1C 307372574 572443605 /nfs/dbraw/zinc/44/36/05/572443605.db2.gz QWTXGWFGKDCZMJ-UHFFFAOYSA-N 0 0 193.271 2.245 10 30 AEEERN O/N=C1\CC[C@@]12CCC21CC1 242463400 572443626 /nfs/dbraw/zinc/44/36/26/572443626.db2.gz DABOYMYKBDQUPO-SECBINFHSA-N 0 0 151.209 2.171 10 30 AEEERN C=C[C@H](C)c1noc(CC2CC2)n1 349603422 572444365 /nfs/dbraw/zinc/44/43/65/572444365.db2.gz LPRFFMDLABCLAN-ZETCQYMHSA-N 0 0 178.235 2.312 10 30 AEEERN O/N=C1\CC[C@]12CCC21CC1 242463399 572444491 /nfs/dbraw/zinc/44/44/91/572444491.db2.gz DABOYMYKBDQUPO-VIFPVBQESA-N 0 0 151.209 2.171 10 30 AEEERN CC(C)(C#N)C[N@@H+]1C[C@H]2CCCC[C@H]21 687828452 572444879 /nfs/dbraw/zinc/44/48/79/572444879.db2.gz WWNPIEFHMUWGBA-GHMZBOCLSA-N 0 0 192.306 2.411 10 30 AEEERN CC[C@H](C#N)NCC(C1CC1)C1CC1 83894943 572444992 /nfs/dbraw/zinc/44/49/92/572444992.db2.gz FFBAJGZLFQSKPU-LLVKDONJSA-N 0 0 192.306 2.314 10 30 AEEERN N#Cc1ccc(-c2ccco2)nc1C=O 74238549 572445082 /nfs/dbraw/zinc/44/50/82/572445082.db2.gz YEDXCVJKGIQAFU-UHFFFAOYSA-N 0 0 198.181 2.026 10 30 AEEERN C=C(CC)COC(=O)C1(C)CC1 308026729 572445112 /nfs/dbraw/zinc/44/51/12/572445112.db2.gz HJULLQWDFBFRKS-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=C=C(CC=C)C[C@@H](O)CC 90372974 572445116 /nfs/dbraw/zinc/44/51/16/572445116.db2.gz ODEGDDREEVBLSY-JTQLQIEISA-N 0 0 152.237 2.435 10 30 AEEERN Cn1cc(CS)c(-c2ccco2)n1 31885286 572445155 /nfs/dbraw/zinc/44/51/55/572445155.db2.gz PVRDNQRAVISCAM-UHFFFAOYSA-N 0 0 194.259 2.110 10 30 AEEERN CC#C[C@H](O)c1cccc(C)c1C 307300997 572445174 /nfs/dbraw/zinc/44/51/74/572445174.db2.gz WUENVVGQDCUVKU-LBPRGKRZSA-N 0 0 174.243 2.360 10 30 AEEERN C=CCN(C)c1cc(N)ccc1C 307338498 572445284 /nfs/dbraw/zinc/44/52/84/572445284.db2.gz QNWZUBYVBYDOMH-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN C[C@H]1CC=CC[C@H]1C#N 32214567 572448771 /nfs/dbraw/zinc/44/87/71/572448771.db2.gz FGWAXXBQGFXECX-YUMQZZPRSA-N 0 0 121.183 2.112 10 30 AEEERN CC[C@@H](C#N)NCC(C1CC1)C1CC1 83894942 572445897 /nfs/dbraw/zinc/44/58/97/572445897.db2.gz FFBAJGZLFQSKPU-NSHDSACASA-N 0 0 192.306 2.314 10 30 AEEERN CCC[C@@](O)(C1CC1)[C@@H](C)C#N 308031113 572453625 /nfs/dbraw/zinc/45/36/25/572453625.db2.gz ZWTNAXKEAMVQKK-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)N(CC#N)CCC1CC1 83926698 572455212 /nfs/dbraw/zinc/45/52/12/572455212.db2.gz KFGVIXCTXBVLEN-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN C=C[C@H](C)SC(=S)OC 307358883 572446222 /nfs/dbraw/zinc/44/62/22/572446222.db2.gz ZRSCIOQJVJNXFE-YFKPBYRVSA-N 0 0 162.279 2.225 10 30 AEEERN CCCCC[C@H]1CCC(C=O)=C1O 238241724 572446276 /nfs/dbraw/zinc/44/62/76/572446276.db2.gz HGKYZZFUGUSAHG-UWVGGRQHSA-N 0 0 182.263 2.361 10 30 AEEERN CC(C)(C#N)C[N@@H+]1CCC[C@@H]1C1CC1 687828456 572446320 /nfs/dbraw/zinc/44/63/20/572446320.db2.gz YLLLSNOJDLHPDL-LLVKDONJSA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H]1CC=CC[C@H]1C#N 32214564 572446325 /nfs/dbraw/zinc/44/63/25/572446325.db2.gz FGWAXXBQGFXECX-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN CC(C)(C#N)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 687828454 572446581 /nfs/dbraw/zinc/44/65/81/572446581.db2.gz WWNPIEFHMUWGBA-QWRGUYRKSA-N 0 0 192.306 2.411 10 30 AEEERN CC(C)(C#N)C[N@@H+]1C[C@@H]2CCCC[C@H]21 687828455 572446690 /nfs/dbraw/zinc/44/66/90/572446690.db2.gz WWNPIEFHMUWGBA-WDEREUQCSA-N 0 0 192.306 2.411 10 30 AEEERN CCCC[S@](=O)CC1(CC#N)CC1 83862579 572446746 /nfs/dbraw/zinc/44/67/46/572446746.db2.gz QWJRJSSOPHZQHT-CYBMUJFWSA-N 0 0 199.319 2.229 10 30 AEEERN C#CCSCc1ccc(C)cn1 307362907 572446780 /nfs/dbraw/zinc/44/67/80/572446780.db2.gz GYCBAYLKKOCSCO-UHFFFAOYSA-N 0 0 177.272 2.256 10 30 AEEERN N#CCC1(COC2CCC2)CC1 83862524 572446802 /nfs/dbraw/zinc/44/68/02/572446802.db2.gz WGTUAOHQSMAFSR-UHFFFAOYSA-N 0 0 165.236 2.249 10 30 AEEERN CC(C)(C)[S@@](=O)CC1(CC#N)CC1 83862563 572448644 /nfs/dbraw/zinc/44/86/44/572448644.db2.gz AZUHEAJSYCBRNF-CYBMUJFWSA-N 0 0 199.319 2.227 10 30 AEEERN C/C=C/COCC1(CC#N)CC1 83862526 572446908 /nfs/dbraw/zinc/44/69/08/572446908.db2.gz BEDYRMPHHMKFCD-NSCUHMNNSA-N 0 0 165.236 2.273 10 30 AEEERN CC(C)(C)[S@](=O)CC1(CC#N)CC1 83862564 572447168 /nfs/dbraw/zinc/44/71/68/572447168.db2.gz AZUHEAJSYCBRNF-ZDUSSCGKSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)(C#N)C[N@@H+]1C[C@H]2CCCC[C@@H]21 687828453 572447173 /nfs/dbraw/zinc/44/71/73/572447173.db2.gz WWNPIEFHMUWGBA-MNOVXSKESA-N 0 0 192.306 2.411 10 30 AEEERN CC[C@@H](C)[S@](=O)CC1(CC#N)CC1 83862559 572447176 /nfs/dbraw/zinc/44/71/76/572447176.db2.gz XWEXPRHAHPNZCL-RNCFNFMXSA-N 0 0 199.319 2.227 10 30 AEEERN COc1c(C)cc(CCC=O)cc1C 107179163 572447237 /nfs/dbraw/zinc/44/72/37/572447237.db2.gz OXRFPRNJYTYJKT-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN N#CCC1(COCC(F)(F)F)CC1 83862455 572447241 /nfs/dbraw/zinc/44/72/41/572447241.db2.gz KYYIYCJYZJXBKH-UHFFFAOYSA-N 0 0 193.168 2.259 10 30 AEEERN CC[C@H](C)C[C@@H](C)N[C@@H](C)C#N 83864557 572447255 /nfs/dbraw/zinc/44/72/55/572447255.db2.gz VIONDLQDMLPMKV-AEJSXWLSSA-N 0 0 168.284 2.313 10 30 AEEERN CCCC[C@H]1C=C[C@@H]2[C@@H](C=O)[C@H]12 238241342 572447407 /nfs/dbraw/zinc/44/74/07/572447407.db2.gz QJVZABXNHKZSFB-LNFKQOIKSA-N 0 0 164.248 2.424 10 30 AEEERN CC(C)C[S@@](=O)CC1(CC#N)CC1 83862573 572447583 /nfs/dbraw/zinc/44/75/83/572447583.db2.gz HBKZSLCHMLECIG-ZDUSSCGKSA-N 0 0 199.319 2.085 10 30 AEEERN CC[C@@H](C)[S@@](=O)CC1(CC#N)CC1 83862557 572447746 /nfs/dbraw/zinc/44/77/46/572447746.db2.gz XWEXPRHAHPNZCL-NOZJJQNGSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)(C#N)C[N@@H+]1CCC[C@H]1C1CC1 687828457 572447603 /nfs/dbraw/zinc/44/76/03/572447603.db2.gz YLLLSNOJDLHPDL-NSHDSACASA-N 0 0 192.306 2.411 10 30 AEEERN CCCC[S@@](=O)CC1(CC#N)CC1 83862578 572447661 /nfs/dbraw/zinc/44/76/61/572447661.db2.gz QWJRJSSOPHZQHT-ZDUSSCGKSA-N 0 0 199.319 2.229 10 30 AEEERN CC[C@@H](C)SC[C@@](N)(C#N)C1CC1 68907891 572447701 /nfs/dbraw/zinc/44/77/01/572447701.db2.gz SZRFNKUEENUHDD-SCZZXKLOSA-N 0 0 198.335 2.149 10 30 AEEERN CC(C)C[S@](=O)CC1(CC#N)CC1 83862574 572447706 /nfs/dbraw/zinc/44/77/06/572447706.db2.gz HBKZSLCHMLECIG-CYBMUJFWSA-N 0 0 199.319 2.085 10 30 AEEERN CCCCC1=N[C@@]1(C=O)CCC 238242100 572447755 /nfs/dbraw/zinc/44/77/55/572447755.db2.gz OTVQYUHGWXVPSR-SNVBAGLBSA-N 0 0 167.252 2.369 10 30 AEEERN CCCOCCOCC1(CC#N)CC1 83862529 572447756 /nfs/dbraw/zinc/44/77/56/572447756.db2.gz VFFFEEQXKOAYGI-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN C#C[C@H](O)[C@@H]1CCCC[C@@H]1CC 307398891 572447778 /nfs/dbraw/zinc/44/77/78/572447778.db2.gz ZLEVPTSJJKRZHQ-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN CCCN[C@](C#N)(CSC)C1CC1 68909794 572447805 /nfs/dbraw/zinc/44/78/05/572447805.db2.gz KOMMTCQBIIWGQE-SNVBAGLBSA-N 0 0 198.335 2.021 10 30 AEEERN C[C@H]1CCCN(C(C)(C)C)[C@@H]1C#N 32204478 572449414 /nfs/dbraw/zinc/44/94/14/572449414.db2.gz GPUGRLQUVIBZRR-VHSXEESVSA-N 0 0 180.295 2.409 10 30 AEEERN CC(C)c1ncc2n1CCC[C@H]2C=O 107179653 572447999 /nfs/dbraw/zinc/44/79/99/572447999.db2.gz XBIMDQHZDKSTDR-VIFPVBQESA-N 0 0 192.262 2.083 10 30 AEEERN CC[C@H](C)[S@@](=O)CC1(CC#N)CC1 83862558 572448161 /nfs/dbraw/zinc/44/81/61/572448161.db2.gz XWEXPRHAHPNZCL-TVQRCGJNSA-N 0 0 199.319 2.227 10 30 AEEERN CSCC[C@@]1(C#N)CCCOC1 235046966 572448206 /nfs/dbraw/zinc/44/82/06/572448206.db2.gz FLSYLCORZYXCLF-SECBINFHSA-N 0 0 185.292 2.060 10 30 AEEERN CC(C)(C)OCC1(CC#N)CC1 83862500 572448219 /nfs/dbraw/zinc/44/82/19/572448219.db2.gz AVKAVJVGNYJOBC-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C#CC#C[C@H](CCC)[C@@H](O)C(C)(C)C 238242223 572448267 /nfs/dbraw/zinc/44/82/67/572448267.db2.gz UZAVBPSGLRGPPY-NWDGAFQWSA-N 0 0 192.302 2.446 10 30 AEEERN CC(=O)C1=CCn2c1nc1ccccc12 31996387 572448428 /nfs/dbraw/zinc/44/84/28/572448428.db2.gz PPIKWXFKZQIOCV-UHFFFAOYSA-N 0 0 198.225 2.022 10 30 AEEERN CC#CC[C@H](O)c1cncc(Cl)c1 307393512 572450273 /nfs/dbraw/zinc/45/02/73/572450273.db2.gz MAKOAKVXKFXVSA-JTQLQIEISA-N 0 0 195.649 2.182 10 30 AEEERN C#C[C@](C)(CC)Nc1cccc(F)n1 307363910 572448529 /nfs/dbraw/zinc/44/85/29/572448529.db2.gz HVUXQXUPPHOICY-LLVKDONJSA-N 0 0 192.237 2.435 10 30 AEEERN CCCCC[C@H]1CCC(C=O)=C1O 238241843 572448539 /nfs/dbraw/zinc/44/85/39/572448539.db2.gz HGKYZZFUGUSAHG-VHSXEESVSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@@H]1CCCN(C(C)(C)C)[C@@H]1C#N 32204475 572448661 /nfs/dbraw/zinc/44/86/61/572448661.db2.gz GPUGRLQUVIBZRR-NXEZZACHSA-N 0 0 180.295 2.409 10 30 AEEERN C=CCCOCC1(CC#N)CC1 83862506 572448857 /nfs/dbraw/zinc/44/88/57/572448857.db2.gz WJBDFADBUCYWIZ-UHFFFAOYSA-N 0 0 165.236 2.273 10 30 AEEERN C#C[C@@](C)(CC)Nc1ccnc(F)c1 307330008 572450249 /nfs/dbraw/zinc/45/02/49/572450249.db2.gz XOUMDMNCRAJLLF-NSHDSACASA-N 0 0 192.237 2.435 10 30 AEEERN CC[C@H](C)OCC1(CC#N)CC1 83862513 572448880 /nfs/dbraw/zinc/44/88/80/572448880.db2.gz WNQWXJLLJCMKAE-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN C[C@@H](C#N)Cc1c[nH]c2cccc(N)c12 74215004 572448911 /nfs/dbraw/zinc/44/89/11/572448911.db2.gz MUHLTMQPBYSXAW-MRVPVSSYSA-N 0 0 199.257 2.452 10 30 AEEERN CC1(c2ccc(N)cc2)C=CC(=O)C=C1 238241748 572448992 /nfs/dbraw/zinc/44/89/92/572448992.db2.gz ILMFYOCKQLORCI-UHFFFAOYSA-N 0 0 199.253 2.222 10 30 AEEERN CCCOCC1(CC#N)CC1 83862509 572448984 /nfs/dbraw/zinc/44/89/84/572448984.db2.gz JMBQCDDFPAOZTC-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN CC(C)c1ncc2n1CCC[C@@H]2C=O 107179651 572449051 /nfs/dbraw/zinc/44/90/51/572449051.db2.gz XBIMDQHZDKSTDR-SECBINFHSA-N 0 0 192.262 2.083 10 30 AEEERN CC[C@H](C)C[C@H](C)N[C@@H](C)C#N 83864559 572449119 /nfs/dbraw/zinc/44/91/19/572449119.db2.gz VIONDLQDMLPMKV-GUBZILKMSA-N 0 0 168.284 2.313 10 30 AEEERN CCCCOCC1(CC#N)CC1 83862510 572449263 /nfs/dbraw/zinc/44/92/63/572449263.db2.gz FDPCYXOLPQICBX-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN CCCC(=O)[C@@H]1O[C@@H]1C(C)(C)C 238242276 572450289 /nfs/dbraw/zinc/45/02/89/572450289.db2.gz IULUTJCCRMCOFC-IUCAKERBSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)OCCOCC1(CC#N)CC1 83862489 572449300 /nfs/dbraw/zinc/44/93/00/572449300.db2.gz VDHPQDZPYMLIPM-UHFFFAOYSA-N 0 0 197.278 2.122 10 30 AEEERN CC(C)COCC1(CC#N)CC1 83862484 572449324 /nfs/dbraw/zinc/44/93/24/572449324.db2.gz OJUSJZWMJOPNQX-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@@H](C)OCC1(CC#N)CC1 83862512 572449431 /nfs/dbraw/zinc/44/94/31/572449431.db2.gz WNQWXJLLJCMKAE-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN CCCCC1=N[C@]1(C=O)CCC 238242060 572449636 /nfs/dbraw/zinc/44/96/36/572449636.db2.gz OTVQYUHGWXVPSR-JTQLQIEISA-N 0 0 167.252 2.369 10 30 AEEERN CC(C)c1ncc2n1[C@@H](C=O)CCC2 107179661 572449646 /nfs/dbraw/zinc/44/96/46/572449646.db2.gz GBRGIDMVFBNOCT-SNVBAGLBSA-N 0 0 192.262 2.083 10 30 AEEERN N#CCC1(COCc2ccco2)CC1 83862458 572449702 /nfs/dbraw/zinc/44/97/02/572449702.db2.gz BJOXYLYOCJVNED-UHFFFAOYSA-N 0 0 191.230 2.490 10 30 AEEERN CC[C@H](C)[S@](=O)CC1(CC#N)CC1 83862560 572449837 /nfs/dbraw/zinc/44/98/37/572449837.db2.gz XWEXPRHAHPNZCL-ZANVPECISA-N 0 0 199.319 2.227 10 30 AEEERN N#CCC1(COCC2CC2)CC1 83862499 572449851 /nfs/dbraw/zinc/44/98/51/572449851.db2.gz USFMOTQNCPBMNL-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN C#C[C@H](O)c1csc(Cl)c1 307373843 572450025 /nfs/dbraw/zinc/45/00/25/572450025.db2.gz SSPFHYCJQNOGCJ-LURJTMIESA-N 0 0 172.636 2.068 10 30 AEEERN CC1(C=NNCC2CC2)CCC1 308027237 572450316 /nfs/dbraw/zinc/45/03/16/572450316.db2.gz HQHFVSOVQUYVEO-UHFFFAOYSA-N 0 0 166.268 2.162 10 30 AEEERN CC#C[C@]1(O)CCCC12CCC2 307316271 572450317 /nfs/dbraw/zinc/45/03/17/572450317.db2.gz NIKFVQNHXFQHGF-NSHDSACASA-N 0 0 164.248 2.095 10 30 AEEERN C=C(C)[C@H](NN)c1cc(C)cs1 307380286 572450507 /nfs/dbraw/zinc/45/05/07/572450507.db2.gz ZSGUXDVFUJFULZ-VIFPVBQESA-N 0 0 182.292 2.137 10 30 AEEERN C=CCc1noc(C2=CCCC2)n1 307312778 572450518 /nfs/dbraw/zinc/45/05/18/572450518.db2.gz GRPIEDCNDRXECT-UHFFFAOYSA-N 0 0 176.219 2.365 10 30 AEEERN CCCCC[C@H]1OCC[C@@H]1C=O 238243790 572450605 /nfs/dbraw/zinc/45/06/05/572450605.db2.gz RUSOQQUYENHRQM-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN N#Cc1cnsc1[C@H]1CCSC1 74241042 572450623 /nfs/dbraw/zinc/45/06/23/572450623.db2.gz HQBMKBQEYOZOML-LURJTMIESA-N 0 0 196.300 2.235 10 30 AEEERN C[C@@H]1CC=CC[C@@H]1C#N 32214560 572450635 /nfs/dbraw/zinc/45/06/35/572450635.db2.gz FGWAXXBQGFXECX-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN CCCCC[C@H]1OC(C)=CC1=O 238243733 572450651 /nfs/dbraw/zinc/45/06/51/572450651.db2.gz BGDBPDFRVGPASO-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN N#Cc1cnsc1[C@@H]1CCSC1 74241040 572450930 /nfs/dbraw/zinc/45/09/30/572450930.db2.gz HQBMKBQEYOZOML-ZCFIWIBFSA-N 0 0 196.300 2.235 10 30 AEEERN CCCCC[C@H]1OCC[C@H]1C=O 238243825 572450932 /nfs/dbraw/zinc/45/09/32/572450932.db2.gz RUSOQQUYENHRQM-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN CCCOC[C@](Cl)(C=O)C(C)C 238243813 572450939 /nfs/dbraw/zinc/45/09/39/572450939.db2.gz ZUHINOANJIOMEP-SECBINFHSA-N 0 0 192.686 2.246 10 30 AEEERN CC#C[C@]1(O)C[C@@H](C)CC[C@H]1C 307374388 572451180 /nfs/dbraw/zinc/45/11/80/572451180.db2.gz XXSUNHHXKKRVGL-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN OCCC#Cc1cccc(Cl)c1 44568216 572451693 /nfs/dbraw/zinc/45/16/93/572451693.db2.gz LTUABEPXIVTWEC-UHFFFAOYSA-N 0 0 180.634 2.074 10 30 AEEERN CC#CCOC(=O)c1ccoc1Cl 307308873 572451915 /nfs/dbraw/zinc/45/19/15/572451915.db2.gz DEOVYZGPPPVTGR-UHFFFAOYSA-N 0 0 198.605 2.113 10 30 AEEERN C#C[C@@H]1C=CC[C@H]1[C@H](O)[C@@H]1C[C@@H]1CC 307311450 572452264 /nfs/dbraw/zinc/45/22/64/572452264.db2.gz ZNUJDYSDLRUCEC-MLGHIDQZSA-N 0 0 190.286 2.219 10 30 AEEERN C=CC(=O)[C@@](C)(O)CCCCC 238245055 572452357 /nfs/dbraw/zinc/45/23/57/572452357.db2.gz LVYDYUWSYOOJCP-JTQLQIEISA-N 0 0 170.252 2.073 10 30 AEEERN C=C(CCC)[C@H](CCC)C(N)=O 238244862 572452375 /nfs/dbraw/zinc/45/23/75/572452375.db2.gz MQRBNXWYFIHOHO-VIFPVBQESA-N 0 0 169.268 2.244 10 30 AEEERN C=C[C@@H]1CC[C@@H](OCCC)[C@@H](O)C1 238247538 572452413 /nfs/dbraw/zinc/45/24/13/572452413.db2.gz GRIJJFXIWPYPSR-OUAUKWLOSA-N 0 0 184.279 2.129 10 30 AEEERN C#C[C@H]1[C@@H](O)CC[C@@H]2CCCC[C@H]21 307340220 572452426 /nfs/dbraw/zinc/45/24/26/572452426.db2.gz XPDRZHLTTXMQMC-QCNOEVLYSA-N 0 0 178.275 2.197 10 30 AEEERN CCCCC[C@](C)(O)C#CC[C@H](C)O 238245045 572452472 /nfs/dbraw/zinc/45/24/72/572452472.db2.gz IGLBFTFXJHCEAW-RYUDHWBXSA-N 0 0 198.306 2.092 10 30 AEEERN CCCO[C@@H]1C=CC[C@H](C=O)[C@@H]1C 238246575 572452492 /nfs/dbraw/zinc/45/24/92/572452492.db2.gz VYVFSDIVAAYGQN-HBNTYKKESA-N 0 0 182.263 2.193 10 30 AEEERN CCC[C@@](O)(C1CC1)[C@H](C)C#N 308031109 572452599 /nfs/dbraw/zinc/45/25/99/572452599.db2.gz ZWTNAXKEAMVQKK-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN CCCCC[C@]1(C#N)CCC[C@H](O)O1 238245370 572452746 /nfs/dbraw/zinc/45/27/46/572452746.db2.gz RESKQKQPUVAQOF-GHMZBOCLSA-N 0 0 197.278 2.348 10 30 AEEERN C=C(C(C)=O)[C@H](O)C#CCCCCC 238245233 572452791 /nfs/dbraw/zinc/45/27/91/572452791.db2.gz GDAFMYUJRMBQAC-GFCCVEGCSA-N 0 0 194.274 2.076 10 30 AEEERN C=C=C(CC=C)C[C@H](O)CC 90414185 572452840 /nfs/dbraw/zinc/45/28/40/572452840.db2.gz ODEGDDREEVBLSY-SNVBAGLBSA-N 0 0 152.237 2.435 10 30 AEEERN CCCCC[C@]1(C#N)CCC[C@@H](O)O1 238245357 572452867 /nfs/dbraw/zinc/45/28/67/572452867.db2.gz RESKQKQPUVAQOF-WDEREUQCSA-N 0 0 197.278 2.348 10 30 AEEERN CCCC[C@H]1C[C@@H](C=O)CCO1 238245070 572453031 /nfs/dbraw/zinc/45/30/31/572453031.db2.gz WSICMQJYNNLERT-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN CCCCCC#C[C@@H](O)C(C)(C)C=O 238245246 572453069 /nfs/dbraw/zinc/45/30/69/572453069.db2.gz KKBHVVSDVZHXPW-LLVKDONJSA-N 0 0 196.290 2.156 10 30 AEEERN CCCCCC#CC[C@H]1CCC(=O)N1 238244986 572453184 /nfs/dbraw/zinc/45/31/84/572453184.db2.gz CGWRBCNGRHTPME-NSHDSACASA-N 0 0 193.290 2.239 10 30 AEEERN CCC[C@](O)(C1CC1)[C@@H](C)C#N 308031111 572453631 /nfs/dbraw/zinc/45/36/31/572453631.db2.gz ZWTNAXKEAMVQKK-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN N#Cc1c(-c2cccs2)coc1N 33464745 572453655 /nfs/dbraw/zinc/45/36/55/572453655.db2.gz RQGDVRYZFHGKER-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN C=CC[C@@H]1OC(=O)N[C@@H]1CCCC 238246963 572453789 /nfs/dbraw/zinc/45/37/89/572453789.db2.gz KLAOZOFUGASLMQ-BDAKNGLRSA-N 0 0 183.251 2.230 10 30 AEEERN CCCCC[C@](C)(O)C#CC[C@@H](C)O 238245038 572453814 /nfs/dbraw/zinc/45/38/14/572453814.db2.gz IGLBFTFXJHCEAW-NEPJUHHUSA-N 0 0 198.306 2.092 10 30 AEEERN C=C(C)C(=O)C[C@H](C)OCCC 238245178 572453853 /nfs/dbraw/zinc/45/38/53/572453853.db2.gz ZHQNSULCFXUPHA-VIFPVBQESA-N 0 0 170.252 2.337 10 30 AEEERN CC#C[C@H](O)[C@H]1C[C@@H]1c1ccccc1 307335845 572453934 /nfs/dbraw/zinc/45/39/34/572453934.db2.gz RVUDOJGVQAKUDV-AGIUHOORSA-N 0 0 186.254 2.174 10 30 AEEERN C#CCCC(=O)OC(CC)CC 308032458 572453938 /nfs/dbraw/zinc/45/39/38/572453938.db2.gz JHTRVJMOFYXRFU-UHFFFAOYSA-N 0 0 168.236 2.132 10 30 AEEERN CCN(CC#N)CC(C)(C)CC 308033883 572453991 /nfs/dbraw/zinc/45/39/91/572453991.db2.gz JUAVBFUZZDLGCA-UHFFFAOYSA-N 0 0 168.284 2.268 10 30 AEEERN C#C[C@@H]1[C@H](O)CC[C@H]2CCCC[C@H]21 307305911 572454149 /nfs/dbraw/zinc/45/41/49/572454149.db2.gz XPDRZHLTTXMQMC-WRWGMCAJSA-N 0 0 178.275 2.197 10 30 AEEERN C#C[C@](C)(CCCCC)OC(=O)NC 238245126 572454211 /nfs/dbraw/zinc/45/42/11/572454211.db2.gz JBLQASYYTKUGCP-LLVKDONJSA-N 0 0 197.278 2.315 10 30 AEEERN CCCCS[C@](C)(C=O)OCC 238248440 572455226 /nfs/dbraw/zinc/45/52/26/572455226.db2.gz ONZGBWWIWNZVMM-SECBINFHSA-N 0 0 190.308 2.471 10 30 AEEERN C=CC[C@H]1OC(=O)N[C@@H]1CCCC 238246919 572454272 /nfs/dbraw/zinc/45/42/72/572454272.db2.gz KLAOZOFUGASLMQ-RKDXNWHRSA-N 0 0 183.251 2.230 10 30 AEEERN CC#CC#CC(=O)CCCCC 238247372 572454296 /nfs/dbraw/zinc/45/42/96/572454296.db2.gz SRBGJCNWRIGVRY-UHFFFAOYSA-N 0 0 162.232 2.163 10 30 AEEERN CCCN(CC#N)CCC1CC1 83926683 572454332 /nfs/dbraw/zinc/45/43/32/572454332.db2.gz KDPGTKXQWLUMOS-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN CCCCOc1nccc(C)c1C#N 135092257 572454454 /nfs/dbraw/zinc/45/44/54/572454454.db2.gz NHNSBIYJEBBKOY-UHFFFAOYSA-N 0 0 190.246 2.441 10 30 AEEERN CCCCCC#C[C@@H](O)CCC(C)=O 238245414 572454560 /nfs/dbraw/zinc/45/45/60/572454560.db2.gz GNJIFSSYFYZAMW-GFCCVEGCSA-N 0 0 196.290 2.300 10 30 AEEERN CCCCCC1=CC(=O)C(=O)C=C1 238247639 572454745 /nfs/dbraw/zinc/45/47/45/572454745.db2.gz PDOJFQDVFZPEPG-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN C=C[C@H](NN)c1csc(C)c1C 307378107 572454804 /nfs/dbraw/zinc/45/48/04/572454804.db2.gz CNOYRCUFOYQVFP-VIFPVBQESA-N 0 0 182.292 2.055 10 30 AEEERN CCC[C@](O)(C1CC1)[C@H](C)C#N 308031108 572454881 /nfs/dbraw/zinc/45/48/81/572454881.db2.gz ZWTNAXKEAMVQKK-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN C=C([C@H](O)c1ccoc1)C(F)(F)F 307388073 572455724 /nfs/dbraw/zinc/45/57/24/572455724.db2.gz GEFFTYZWWPDBGI-ZETCQYMHSA-N 0 0 192.136 2.432 10 30 AEEERN C#C[C@](C)(CC)Nc1ccnc(F)c1 307330003 572455844 /nfs/dbraw/zinc/45/58/44/572455844.db2.gz XOUMDMNCRAJLLF-LLVKDONJSA-N 0 0 192.237 2.435 10 30 AEEERN CC(C)[C@@H](C)NN=CC1(F)CC1 308033008 572455850 /nfs/dbraw/zinc/45/58/50/572455850.db2.gz JLGXISVVFLWWKC-MRVPVSSYSA-N 0 0 172.247 2.108 10 30 AEEERN C=C[C@H]1CCC[C@@H](C)C1=O 196784224 572456500 /nfs/dbraw/zinc/45/65/00/572456500.db2.gz IAMIZHKIFBKOIC-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCC[C@@]1(O)C[C@H](C)O[C@H](C)C1 307303195 572456502 /nfs/dbraw/zinc/45/65/02/572456502.db2.gz BNLCAMMHVRXKJX-URLYPYJESA-N 0 0 184.279 2.271 10 30 AEEERN C[C@H](C#N)OCc1ccccc1F 68954369 572456762 /nfs/dbraw/zinc/45/67/62/572456762.db2.gz GMQYSBPZFWZKAY-MRVPVSSYSA-N 0 0 179.194 2.254 10 30 AEEERN C=C1CC[C@@H](O)C(C)(C)C1 196786398 572456768 /nfs/dbraw/zinc/45/67/68/572456768.db2.gz XTEVJWZJZPHDNX-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C[C@@H](C#N)OCc1ccccc1F 68954366 572456808 /nfs/dbraw/zinc/45/68/08/572456808.db2.gz GMQYSBPZFWZKAY-QMMMGPOBSA-N 0 0 179.194 2.254 10 30 AEEERN C=C[C@@H](C)Nc1ccn(C(C)C)n1 300927867 572456914 /nfs/dbraw/zinc/45/69/14/572456914.db2.gz VKGABLDTEABNMB-SECBINFHSA-N 0 0 179.267 2.450 10 30 AEEERN O[C@H](C#Cc1ccccc1)C1CCC1 307338371 572456931 /nfs/dbraw/zinc/45/69/31/572456931.db2.gz QITZCMPDXRHKPE-CYBMUJFWSA-N 0 0 186.254 2.199 10 30 AEEERN C=C[C@]1(C)CCCCC1=O 196784281 572456946 /nfs/dbraw/zinc/45/69/46/572456946.db2.gz APZRDJBSBJUMIV-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H]1[C@@H](C)[C@@H](C=O)C1(C)C 196792377 572456996 /nfs/dbraw/zinc/45/69/96/572456996.db2.gz MBNRVIXXZDOPIA-GJMOJQLCSA-N 0 0 140.226 2.114 10 30 AEEERN CC(C)[C@H](C)NN=CC1(F)CC1 308033009 572457216 /nfs/dbraw/zinc/45/72/16/572457216.db2.gz JLGXISVVFLWWKC-QMMMGPOBSA-N 0 0 172.247 2.108 10 30 AEEERN C=C[C@@]1(C)CCCCC1=O 196784270 572457518 /nfs/dbraw/zinc/45/75/18/572457518.db2.gz APZRDJBSBJUMIV-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=CC(=O)CCC=C(C)C 196792572 572457559 /nfs/dbraw/zinc/45/75/59/572457559.db2.gz FVAZRTUEFHNRTR-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC[C@H]1COc2ccccc2C1=O 196786852 572457602 /nfs/dbraw/zinc/45/76/02/572457602.db2.gz CONFDGKTIFQCNB-VIFPVBQESA-N 0 0 188.226 2.454 10 30 AEEERN Cc1ncc(C#N)c2c1-c1ccoc1C2 74242459 572457700 /nfs/dbraw/zinc/45/77/00/572457700.db2.gz ACWLRBKZWZBYFK-UHFFFAOYSA-N 0 0 196.209 2.426 10 30 AEEERN C#C[C@@]1(C)C[C@@H]2CCCC(=O)[C@H]21 307376304 572458008 /nfs/dbraw/zinc/45/80/08/572458008.db2.gz BKRMSYRZDVHLQL-LSJOCFKGSA-N 0 0 162.232 2.015 10 30 AEEERN C=CCN(C)c1cc(N)cc(F)c1 307386361 572458111 /nfs/dbraw/zinc/45/81/11/572458111.db2.gz LNHOFNWMOYSQHG-UHFFFAOYSA-N 0 0 180.226 2.030 10 30 AEEERN C[C@@H]1[C@@H](C)C(C)(C)[C@@H]1C=O 196792392 572458170 /nfs/dbraw/zinc/45/81/70/572458170.db2.gz MBNRVIXXZDOPIA-BWZBUEFSSA-N 0 0 140.226 2.114 10 30 AEEERN O[C@H]1CC#CCCCCCC1 196798213 572458226 /nfs/dbraw/zinc/45/82/26/572458226.db2.gz ATZNZCYYXLRUHK-SNVBAGLBSA-N 0 0 152.237 2.095 10 30 AEEERN C=C(C)/C=C(\C)CC(C)=O 307354370 572458227 /nfs/dbraw/zinc/45/82/27/572458227.db2.gz SEELLGKAGJCADF-VMPITWQZSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC[C@@H]1COc2ccccc2C1=O 196786839 572458311 /nfs/dbraw/zinc/45/83/11/572458311.db2.gz CONFDGKTIFQCNB-SECBINFHSA-N 0 0 188.226 2.454 10 30 AEEERN C=CCSc1ccc(C=O)cn1 308027885 572458489 /nfs/dbraw/zinc/45/84/89/572458489.db2.gz YDRPPUPWHLYITD-UHFFFAOYSA-N 0 0 179.244 2.172 10 30 AEEERN C#CCC[C@@](O)(CCC)C1CC1 308028771 572460029 /nfs/dbraw/zinc/46/00/29/572460029.db2.gz YPFWIQVQWGYTFC-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C#C[C@H](O)c1csc2c1CCCC2 307353962 572458762 /nfs/dbraw/zinc/45/87/62/572458762.db2.gz WVCYVFONXYXDQR-JTQLQIEISA-N 0 0 192.283 2.294 10 30 AEEERN O[C@@H]1CC#CCCCCCC1 196798199 572458965 /nfs/dbraw/zinc/45/89/65/572458965.db2.gz ATZNZCYYXLRUHK-JTQLQIEISA-N 0 0 152.237 2.095 10 30 AEEERN C#C/C=C/C=C/C=C/[C@H](O)CCC 238252203 572458848 /nfs/dbraw/zinc/45/88/48/572458848.db2.gz LZNJKIFEOKXEET-GGFDGHHSSA-N 0 0 176.259 2.449 10 30 AEEERN C=CCCCCCCNCC#N 308028342 572458849 /nfs/dbraw/zinc/45/88/49/572458849.db2.gz HZBHNIXSZGOFQW-UHFFFAOYSA-N 0 0 166.268 2.236 10 30 AEEERN O=C[C@@H]1[C@H]2C=Cc3ccccc3[C@H]21 196782455 572458921 /nfs/dbraw/zinc/45/89/21/572458921.db2.gz JHNXDDXGYFLRNI-IJLUTSLNSA-N 0 0 170.211 2.242 10 30 AEEERN CCO[C@@H](CC)CCCC=O 238255617 572458926 /nfs/dbraw/zinc/45/89/26/572458926.db2.gz ORLCPVVAJFOKTF-VIFPVBQESA-N 0 0 158.241 2.171 10 30 AEEERN CC1(CCNCC#N)CCCC1 308033175 572458950 /nfs/dbraw/zinc/45/89/50/572458950.db2.gz JPMODTVLZQTZNM-UHFFFAOYSA-N 0 0 166.268 2.070 10 30 AEEERN C=C[C@@H]1CC[C@H](OCCC)[C@@H](O)C1 238252094 572458960 /nfs/dbraw/zinc/45/89/60/572458960.db2.gz GRIJJFXIWPYPSR-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN CCO[C@@H](CC)CC[C@@H](C)C=O 238255674 572459008 /nfs/dbraw/zinc/45/90/08/572459008.db2.gz QNGBNOHERBVDHE-ZJUUUORDSA-N 0 0 172.268 2.417 10 30 AEEERN C=C[C@@H]1CCC[C@H](C)C1=O 196784254 572459078 /nfs/dbraw/zinc/45/90/78/572459078.db2.gz IAMIZHKIFBKOIC-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CC#CC[C@H](NN)[C@H]1CCCC[C@H]1C 307329058 572459305 /nfs/dbraw/zinc/45/93/05/572459305.db2.gz KZUMDSWOEAJTFZ-WOPDTQHZSA-N 0 0 194.322 2.058 10 30 AEEERN C=C[C@H]1CCC[C@H](C)C1=O 196784234 572459395 /nfs/dbraw/zinc/45/93/95/572459395.db2.gz IAMIZHKIFBKOIC-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CCCC[C@@](C)(C#N)CCO 238251939 572459404 /nfs/dbraw/zinc/45/94/04/572459404.db2.gz KZOFLHBIYBAWGM-SECBINFHSA-N 0 0 155.241 2.089 10 30 AEEERN C=C[C@@H]1CCC[C@@H](C)C1=O 196784243 572459415 /nfs/dbraw/zinc/45/94/15/572459415.db2.gz IAMIZHKIFBKOIC-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C=C([C@@H](O)c1ccoc1)C(F)(F)F 307388072 572460023 /nfs/dbraw/zinc/46/00/23/572460023.db2.gz GEFFTYZWWPDBGI-SSDOTTSWSA-N 0 0 192.136 2.432 10 30 AEEERN CCO[C@@H](CC)CC[C@H](C)C=O 238255703 572460088 /nfs/dbraw/zinc/46/00/88/572460088.db2.gz QNGBNOHERBVDHE-UWVGGRQHSA-N 0 0 172.268 2.417 10 30 AEEERN C#Cc1ccc(C#C)c2cnccc12 307400038 572460122 /nfs/dbraw/zinc/46/01/22/572460122.db2.gz YLXZZSHIAGBXSB-UHFFFAOYSA-N 0 0 177.206 2.197 10 30 AEEERN CCCC(=O)C=C=C[C@H](O)CCC 238254374 572460123 /nfs/dbraw/zinc/46/01/23/572460123.db2.gz IZWZXFPYIARXSY-URYLQHRCSA-N 0 0 182.263 2.228 10 30 AEEERN C#CCN(CC)c1cc(C)cc(N)c1 307384158 572460150 /nfs/dbraw/zinc/46/01/50/572460150.db2.gz JHWIKBURKDPDIP-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN C#CCC[C@](O)(CCC)C1CC1 308028769 572460199 /nfs/dbraw/zinc/46/01/99/572460199.db2.gz YPFWIQVQWGYTFC-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN FC(F)(F)C#Cc1ccco1 307395596 572460248 /nfs/dbraw/zinc/46/02/48/572460248.db2.gz NQBDARIHLOCRKV-UHFFFAOYSA-N 0 0 160.094 2.193 10 30 AEEERN CC(C)[C@H](C#N)C(=O)OC(C)(C)C 207450185 572460256 /nfs/dbraw/zinc/46/02/56/572460256.db2.gz LSKWVILIUGBNHQ-QMMMGPOBSA-N 0 0 183.251 2.124 10 30 AEEERN CCC[C@@H](O)C(C#N)(CC)CC 238253758 572460852 /nfs/dbraw/zinc/46/08/52/572460852.db2.gz NSYRVSNTWHFDGL-SECBINFHSA-N 0 0 169.268 2.477 10 30 AEEERN CCC[C@@H](O)C1(C=O)CCCCC1 238254084 572461081 /nfs/dbraw/zinc/46/10/81/572461081.db2.gz OWJIYSYYJOEWPN-SNVBAGLBSA-N 0 0 184.279 2.297 10 30 AEEERN C=CC[C@H](O)/C=C/C[C@H](O)CCC 238254029 572461382 /nfs/dbraw/zinc/46/13/82/572461382.db2.gz ACIZHZAASIWRJS-DBWQMSJVSA-N 0 0 184.279 2.031 10 30 AEEERN C=CC(=O)CCOc1ccccc1 83943699 572461530 /nfs/dbraw/zinc/46/15/30/572461530.db2.gz NVZADBINZSJILG-UHFFFAOYSA-N 0 0 176.215 2.211 10 30 AEEERN C#CC[C@@H](O)[C@H](C)CC(C)C 300983758 572462293 /nfs/dbraw/zinc/46/22/93/572462293.db2.gz UPWNCTFMNHLNDT-NXEZZACHSA-N 0 0 154.253 2.053 10 30 AEEERN COc1ccc(OC)c(CC#N)c1C 214632259 572461746 /nfs/dbraw/zinc/46/17/46/572461746.db2.gz AHZSWNNTNPHGDO-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN C=CCCCN[C@H](C)C(F)(F)F 308035944 572461884 /nfs/dbraw/zinc/46/18/84/572461884.db2.gz KLVKURWTBRLIIV-SSDOTTSWSA-N 0 0 181.201 2.493 10 30 AEEERN C#C[C@H](O)[C@@H](CCC)CC(C)C 308035312 572462005 /nfs/dbraw/zinc/46/20/05/572462005.db2.gz SLTYSSOGSVQVDF-QWRGUYRKSA-N 0 0 168.280 2.443 10 30 AEEERN CC(C)(C)c1cn(CC#N)c(=S)[nH]1 74243155 572462179 /nfs/dbraw/zinc/46/21/79/572462179.db2.gz ZGOHNJRERCHJLT-UHFFFAOYSA-N 0 0 195.291 2.367 10 30 AEEERN C#C[C@@H](O)[C@H](CCC)CC(C)C 308035310 572462546 /nfs/dbraw/zinc/46/25/46/572462546.db2.gz SLTYSSOGSVQVDF-GHMZBOCLSA-N 0 0 168.280 2.443 10 30 AEEERN CCCC[C@](C=O)(CC)COC 238253727 572462861 /nfs/dbraw/zinc/46/28/61/572462861.db2.gz CDFISHFKCXEGQM-JTQLQIEISA-N 0 0 172.268 2.418 10 30 AEEERN C=C1C(=C)[C@@H]2C(=O)[C@H]1[C@@H](C)[C@H]2C 307317897 572463444 /nfs/dbraw/zinc/46/34/44/572463444.db2.gz PMLIWHUANQYHCQ-FIRGSJFUSA-N 0 0 162.232 2.200 10 30 AEEERN C=C(C)[C@H]1C=C[C@H](O)[C@@H](C)C1 307398500 572463164 /nfs/dbraw/zinc/46/31/64/572463164.db2.gz UBTIZKNMXAJQJG-GUBZILKMSA-N 0 0 152.237 2.136 10 30 AEEERN CCCC[C@@H](C=O)[C@@H](C)OCC 238255899 572463175 /nfs/dbraw/zinc/46/31/75/572463175.db2.gz JKMGDGIZVLRJTC-ZJUUUORDSA-N 0 0 172.268 2.417 10 30 AEEERN CCCC[C@](O)(C=O)c1ccccc1 238254266 572463107 /nfs/dbraw/zinc/46/31/07/572463107.db2.gz WCXAQKFWGGPTDO-LBPRGKRZSA-N 0 0 192.258 2.263 10 30 AEEERN Cc1csc(CC[C@H](C)C=O)n1 87397486 572463275 /nfs/dbraw/zinc/46/32/75/572463275.db2.gz RDQBKOIVBJINSO-ZETCQYMHSA-N 0 0 183.276 2.219 10 30 AEEERN C#Cc1cc(C)c(F)cc1F 307360123 572463428 /nfs/dbraw/zinc/46/34/28/572463428.db2.gz FNPSYNAJCOKDFR-UHFFFAOYSA-N 0 0 152.143 2.255 10 30 AEEERN CN[C@H](C#N)c1cc(C)c(C)cc1C 234449884 572463554 /nfs/dbraw/zinc/46/35/54/572463554.db2.gz GNGFCTXULYSODM-GFCCVEGCSA-N 0 0 188.274 2.396 10 30 AEEERN C#CCN(CC)c1cc(C)ccc1N 307329356 572463836 /nfs/dbraw/zinc/46/38/36/572463836.db2.gz LMBONHXMFNJZGK-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN C#CCOC(=O)C=C1CCCCC1 307387532 572464403 /nfs/dbraw/zinc/46/44/03/572464403.db2.gz DANRGHVAAKSWAH-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN CCCC[C@@H](C=O)[C@H](C)OCC 238256000 572463996 /nfs/dbraw/zinc/46/39/96/572463996.db2.gz JKMGDGIZVLRJTC-UWVGGRQHSA-N 0 0 172.268 2.417 10 30 AEEERN C#CCCC(=O)O[C@@H](C)CCC 308035237 572464157 /nfs/dbraw/zinc/46/41/57/572464157.db2.gz KEXIXYLVWONYJF-VIFPVBQESA-N 0 0 168.236 2.132 10 30 AEEERN Cc1nc(CCCC=O)sc1C 87397470 572464183 /nfs/dbraw/zinc/46/41/83/572464183.db2.gz IJNLJYLYBDJNQU-UHFFFAOYSA-N 0 0 183.276 2.282 10 30 AEEERN CCO[C@@H](CC=O)/C(C)=C/Cl 238256263 572464444 /nfs/dbraw/zinc/46/44/44/572464444.db2.gz GERFEHBKPVLALM-CZEYKFRCSA-N 0 0 176.643 2.123 10 30 AEEERN C=CC[C@H](OCC)[C@H](O)c1ccco1 238256214 572464477 /nfs/dbraw/zinc/46/44/77/572464477.db2.gz XSKWYJOIWIXZIO-ONGXEEELSA-N 0 0 196.246 2.294 10 30 AEEERN C=CC[C@]1(O)CCC[C@@H]2C[C@@H]21 307303880 572464540 /nfs/dbraw/zinc/46/45/40/572464540.db2.gz GKTUKGMSKUATFY-UTLUCORTSA-N 0 0 152.237 2.114 10 30 AEEERN C#C[C@@H](O)[C@@H](CCC)CC(C)C 308035313 572464560 /nfs/dbraw/zinc/46/45/60/572464560.db2.gz SLTYSSOGSVQVDF-WDEREUQCSA-N 0 0 168.280 2.443 10 30 AEEERN CCC[C@@H](O)Cc1ccccc1C#N 238256361 572464612 /nfs/dbraw/zinc/46/46/12/572464612.db2.gz ITQZFERWNYRUQA-GFCCVEGCSA-N 0 0 189.258 2.262 10 30 AEEERN C=CC[C@H](OCC)[C@@H](O)c1ccco1 238256200 572464717 /nfs/dbraw/zinc/46/47/17/572464717.db2.gz XSKWYJOIWIXZIO-GXSJLCMTSA-N 0 0 196.246 2.294 10 30 AEEERN C=C(C)[C@H]1C=C[C@@]2(C)C[C@H](O)O[C@H]2C1 307325659 572464896 /nfs/dbraw/zinc/46/48/96/572464896.db2.gz SWUDFWODVLBJNP-YFKTTZPYSA-N 0 0 194.274 2.252 10 30 AEEERN Cc1csc(CC[C@@H](C)C=O)n1 87397485 572464930 /nfs/dbraw/zinc/46/49/30/572464930.db2.gz RDQBKOIVBJINSO-SSDOTTSWSA-N 0 0 183.276 2.219 10 30 AEEERN CCC(C)(C)N(C)C(=O)C(C)(C)C#N 69014617 572465149 /nfs/dbraw/zinc/46/51/49/572465149.db2.gz FXPNUHHQLQNFNV-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN C#CCCC(=O)O[C@H](C)CCC 308035234 572465236 /nfs/dbraw/zinc/46/52/36/572465236.db2.gz KEXIXYLVWONYJF-SECBINFHSA-N 0 0 168.236 2.132 10 30 AEEERN CC#C[C@@H](O)c1cccc(C)c1C 307300996 572465334 /nfs/dbraw/zinc/46/53/34/572465334.db2.gz WUENVVGQDCUVKU-GFCCVEGCSA-N 0 0 174.243 2.360 10 30 AEEERN N#CCc1c(Cl)ccc2c1OCO2 214829772 572465432 /nfs/dbraw/zinc/46/54/32/572465432.db2.gz PVLTWYCKLCTJJA-UHFFFAOYSA-N 0 0 195.605 2.135 10 30 AEEERN N#CCc1cc(Cl)cc2c1OCO2 214829843 572465441 /nfs/dbraw/zinc/46/54/41/572465441.db2.gz UIELFODKHAIOJM-UHFFFAOYSA-N 0 0 195.605 2.135 10 30 AEEERN CC1=C[C@](C)(CCCCO)CCC1=O 238256438 572465775 /nfs/dbraw/zinc/46/57/75/572465775.db2.gz WLFWHIFHBZHZGQ-GFCCVEGCSA-N 0 0 196.290 2.465 10 30 AEEERN CCC[C@@H](O)[C@@H](C)C#CSCC 238256761 572466414 /nfs/dbraw/zinc/46/64/14/572466414.db2.gz BHXKSGBGAWIUJW-VHSXEESVSA-N 0 0 186.320 2.498 10 30 AEEERN C=C[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1CCO 307301099 572466802 /nfs/dbraw/zinc/46/68/02/572466802.db2.gz TUDOUHVAEZZMDY-LMLFDSFASA-N 0 0 166.264 2.217 10 30 AEEERN C=CCCCCN[C@H](C#N)CC 308037323 572466841 /nfs/dbraw/zinc/46/68/41/572466841.db2.gz LFBBKBFGFVGTBT-JTQLQIEISA-N 0 0 166.268 2.234 10 30 AEEERN C#C[C@H](CCC)[C@H](O)CCC 238257295 572466912 /nfs/dbraw/zinc/46/69/12/572466912.db2.gz CIYCYYXUAHYKJY-NXEZZACHSA-N 0 0 154.253 2.197 10 30 AEEERN C=C[C@@H]1C=CC[C@H]1[C@H](O)CC 307387281 572466918 /nfs/dbraw/zinc/46/69/18/572466918.db2.gz CGZZKCKMPMVWPR-OPRDCNLKSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1C[C@H](C)[C@@H](C)C[C@H]1CO 307367030 572466935 /nfs/dbraw/zinc/46/69/35/572466935.db2.gz LTAIITAXFGVBJZ-NRPADANISA-N 0 0 154.253 2.217 10 30 AEEERN Cc1ccccc1-n1cnc(C)c1C#N 74239889 572466971 /nfs/dbraw/zinc/46/69/71/572466971.db2.gz MWZFLBKZPGPETJ-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C#C/C(C)=C/C=C/CC(C)=O 307358686 572467014 /nfs/dbraw/zinc/46/70/14/572467014.db2.gz ZFNLDIBOVQVIOJ-SBIWHPGTSA-N 0 0 148.205 2.101 10 30 AEEERN C#CCn1cc(C=O)c2cc(C)ccc21 76815844 572467208 /nfs/dbraw/zinc/46/72/08/572467208.db2.gz VPWZLJYVIOMRTL-UHFFFAOYSA-N 0 0 197.237 2.395 10 30 AEEERN CCn1nc(C#N)cc1-c1ccco1 76847430 572467267 /nfs/dbraw/zinc/46/72/67/572467267.db2.gz BFUYRUXZWKPJAY-UHFFFAOYSA-N 0 0 187.202 2.035 10 30 AEEERN CC#C[C@H](O)[C@H]1C[C@H]1c1ccccc1 307335849 572467671 /nfs/dbraw/zinc/46/76/71/572467671.db2.gz RVUDOJGVQAKUDV-AVGNSLFASA-N 0 0 186.254 2.174 10 30 AEEERN Cc1ncc(C#N)cc1-c1ccccn1 74244696 572467677 /nfs/dbraw/zinc/46/76/77/572467677.db2.gz LMRQWZMLIXPFNU-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=CCCNc1ccc(OCC)nc1 87399558 572467682 /nfs/dbraw/zinc/46/76/82/572467682.db2.gz GYALXVPCOBDSEW-UHFFFAOYSA-N 0 0 192.262 2.468 10 30 AEEERN CC#C[C@]1(O)C[C@H](C)CC[C@H]1C 307374390 572467690 /nfs/dbraw/zinc/46/76/90/572467690.db2.gz XXSUNHHXKKRVGL-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN Cc1ccccc1-c1c[nH]c(CC#N)n1 74239875 572467719 /nfs/dbraw/zinc/46/77/19/572467719.db2.gz GPOWUCXGPDPLGT-UHFFFAOYSA-N 0 0 197.241 2.451 10 30 AEEERN Cc1cccc(-c2nc(CC#N)c[nH]2)c1 74239879 572467902 /nfs/dbraw/zinc/46/79/02/572467902.db2.gz PDABEZHFGZEARU-UHFFFAOYSA-N 0 0 197.241 2.451 10 30 AEEERN C=C[C@@](CC=O)(CCC)C(=O)OCC 238257844 572467987 /nfs/dbraw/zinc/46/79/87/572467987.db2.gz GJRVUBGUOBLKSO-NSHDSACASA-N 0 0 198.262 2.111 10 30 AEEERN CC(=O)C1=CC=C2OCC[C@H]2CC=C1 255991259 572468322 /nfs/dbraw/zinc/46/83/22/572468322.db2.gz NYLAVYDNWOFGHV-LLVKDONJSA-N 0 0 190.242 2.382 10 30 AEEERN Cc1cc(C#N)cnc1-c1ccccn1 74244697 572468362 /nfs/dbraw/zinc/46/83/62/572468362.db2.gz LPRFEOUCSLUVPT-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1ccccc1-c1cn(CC#N)cn1 74239886 572468409 /nfs/dbraw/zinc/46/84/09/572468409.db2.gz ZWKAFQBDKSUUHU-UHFFFAOYSA-N 0 0 197.241 2.382 10 30 AEEERN C[C@H](C#N)N[C@@H]1C[C@@H]1c1ccccc1 44676630 572468535 /nfs/dbraw/zinc/46/85/35/572468535.db2.gz DDDYOAXDNRQGCX-YUSALJHKSA-N 0 0 186.258 2.044 10 30 AEEERN CCC[C@@H](O)[C@H](C)C#CSCC 238258956 572475064 /nfs/dbraw/zinc/47/50/64/572475064.db2.gz BHXKSGBGAWIUJW-NXEZZACHSA-N 0 0 186.320 2.498 10 30 AEEERN C=CCCCCN[C@@H](C#N)CC 308037324 572468693 /nfs/dbraw/zinc/46/86/93/572468693.db2.gz LFBBKBFGFVGTBT-SNVBAGLBSA-N 0 0 166.268 2.234 10 30 AEEERN CCn1nc(C#N)cc1-c1ccccc1 76843131 572468773 /nfs/dbraw/zinc/46/87/73/572468773.db2.gz LPNJOAYVAALSKF-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN Cc1nc(C)n(-c2ccccc2)c1C#N 74239891 572468892 /nfs/dbraw/zinc/46/88/92/572468892.db2.gz UHCPLHUTKLXYAH-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN Cc1ccccc1-c1cc(CC#N)[nH]n1 74239885 572468914 /nfs/dbraw/zinc/46/89/14/572468914.db2.gz ZTXYICQSFYSPSU-UHFFFAOYSA-N 0 0 197.241 2.451 10 30 AEEERN C=C[C@H](O)c1cccc(COC)c1 83968726 572468922 /nfs/dbraw/zinc/46/89/22/572468922.db2.gz TVRJMHQHBUXUKS-NSHDSACASA-N 0 0 178.231 2.052 10 30 AEEERN CCc1cc(CC#N)c(O)c(OC)c1 214632651 572468955 /nfs/dbraw/zinc/46/89/55/572468955.db2.gz NKUGLDJJGTUMDX-UHFFFAOYSA-N 0 0 191.230 2.029 10 30 AEEERN CC(=O)C1=CC=C2OCC[C@@H]2CC=C1 255991260 572469056 /nfs/dbraw/zinc/46/90/56/572469056.db2.gz NYLAVYDNWOFGHV-NSHDSACASA-N 0 0 190.242 2.382 10 30 AEEERN C=CCCOc1cc(C(C)=O)ccn1 87400572 572469061 /nfs/dbraw/zinc/46/90/61/572469061.db2.gz JEIMFMLWTJNRHK-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@H](NC(N)=O)C1 307357450 572469113 /nfs/dbraw/zinc/46/91/13/572469113.db2.gz WRIAHSSGPRHCHJ-IVZWLZJFSA-N 0 0 196.294 2.036 10 30 AEEERN COCc1ccccc1/C=C/C(C)=O 83969019 572469115 /nfs/dbraw/zinc/46/91/15/572469115.db2.gz DRFFWXQAUIARFO-BQYQJAHWSA-N 0 0 190.242 2.435 10 30 AEEERN Cc1ccccc1-n1ccc(CC#N)n1 74239903 572469465 /nfs/dbraw/zinc/46/94/65/572469465.db2.gz XBAJTXRKABMMHJ-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN C=CCn1nc(C#N)cc1-c1ccco1 76847395 572469560 /nfs/dbraw/zinc/46/95/60/572469560.db2.gz QGQCMRNWWVVNRB-UHFFFAOYSA-N 0 0 199.213 2.201 10 30 AEEERN COCc1cccc(/C=C/C(C)=O)c1 83968285 572469806 /nfs/dbraw/zinc/46/98/06/572469806.db2.gz QJNGHUBVLIQPGX-VOTSOKGWSA-N 0 0 190.242 2.435 10 30 AEEERN C=C[C@H](O)c1ccccc1COC 83969174 572469838 /nfs/dbraw/zinc/46/98/38/572469838.db2.gz FSWHWORFNPWQBC-NSHDSACASA-N 0 0 178.231 2.052 10 30 AEEERN C=C[C@H](O)c1ccc(COC)cc1 83969694 572469871 /nfs/dbraw/zinc/46/98/71/572469871.db2.gz KWRCZJNJLVFVCF-NSHDSACASA-N 0 0 178.231 2.052 10 30 AEEERN C=C[C@@H](O)c1ccccc1COC 83969173 572470142 /nfs/dbraw/zinc/47/01/42/572470142.db2.gz FSWHWORFNPWQBC-LLVKDONJSA-N 0 0 178.231 2.052 10 30 AEEERN C=CCNc1ccc(OCC)nc1 87399593 572470293 /nfs/dbraw/zinc/47/02/93/572470293.db2.gz BGVAFGAUKQZOQZ-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN C=C[C@@H](O)c1ccc(COC)cc1 83969692 572470334 /nfs/dbraw/zinc/47/03/34/572470334.db2.gz KWRCZJNJLVFVCF-LLVKDONJSA-N 0 0 178.231 2.052 10 30 AEEERN C[C@@H](CC#N)N(C)c1ccc(C#N)cc1 61952425 572470407 /nfs/dbraw/zinc/47/04/07/572470407.db2.gz GEURRFDUSNVGEU-JTQLQIEISA-N 0 0 199.257 2.297 10 30 AEEERN C=CC[C@](C#N)(CCC)C(C)=O 238257804 572470426 /nfs/dbraw/zinc/47/04/26/572470426.db2.gz DSTDPSFOUOPFLD-SNVBAGLBSA-N 0 0 165.236 2.462 10 30 AEEERN CC1=CC[C@@](C#N)(C(C)(C)O)C1 34110829 572475023 /nfs/dbraw/zinc/47/50/23/572475023.db2.gz WMJUOXLVDUNACK-SNVBAGLBSA-N 0 0 165.236 2.007 10 30 AEEERN C=CCN(C)c1c(C)cccc1N 307345136 572470498 /nfs/dbraw/zinc/47/04/98/572470498.db2.gz AFYKZCPJJORQQI-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN C=C[C@@H](O)c1cccc(COC)c1 83968725 572470505 /nfs/dbraw/zinc/47/05/05/572470505.db2.gz TVRJMHQHBUXUKS-LLVKDONJSA-N 0 0 178.231 2.052 10 30 AEEERN Cc1ccc2c(c1)c(C=O)cn2CC#N 76815703 572470677 /nfs/dbraw/zinc/47/06/77/572470677.db2.gz BOFIPPWPINUHLE-UHFFFAOYSA-N 0 0 198.225 2.286 10 30 AEEERN C[C@H](C#N)N[C@H]1C[C@@H]1c1ccccc1 44676632 572470771 /nfs/dbraw/zinc/47/07/71/572470771.db2.gz DDDYOAXDNRQGCX-JLLWLGSASA-N 0 0 186.258 2.044 10 30 AEEERN C#CC[C@H](O)[C@H](CC)CC(C)C 308039042 572470801 /nfs/dbraw/zinc/47/08/01/572470801.db2.gz YQDXIYGOGGSRIN-MNOVXSKESA-N 0 0 168.280 2.443 10 30 AEEERN CC#C[C@H](O)[C@@H]1C[C@H]1c1ccccc1 307335854 572470807 /nfs/dbraw/zinc/47/08/07/572470807.db2.gz RVUDOJGVQAKUDV-XQQFMLRXSA-N 0 0 186.254 2.174 10 30 AEEERN Cc1cn(Cc2ccccc2)c(C#N)n1 34077643 572470864 /nfs/dbraw/zinc/47/08/64/572470864.db2.gz KHTWLSVKCMYADX-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN C=C(C)[C@@H](NN)c1cc(C)cs1 307380285 572471095 /nfs/dbraw/zinc/47/10/95/572471095.db2.gz ZSGUXDVFUJFULZ-SECBINFHSA-N 0 0 182.292 2.137 10 30 AEEERN COCc1ccc(/C=C/C(C)=O)cc1 83969521 572471176 /nfs/dbraw/zinc/47/11/76/572471176.db2.gz COFFVHIYAIRKBV-ONEGZZNKSA-N 0 0 190.242 2.435 10 30 AEEERN CNC=C(Cl)C(=O)c1ccccc1 308037883 572471555 /nfs/dbraw/zinc/47/15/55/572471555.db2.gz WNAHYBAKTDOZHQ-CLFYSBASSA-N 0 0 195.649 2.169 10 30 AEEERN N#CCCC[C@H](O)c1ccccc1 34241225 572475052 /nfs/dbraw/zinc/47/50/52/572475052.db2.gz SZBSQNGXQVBYNW-NSHDSACASA-N 0 0 175.231 2.414 10 30 AEEERN C#C[C@H](Nc1ccnc(F)c1)C(C)C 300987368 572475059 /nfs/dbraw/zinc/47/50/59/572475059.db2.gz VATBPWQKOFMCOK-JTQLQIEISA-N 0 0 192.237 2.290 10 30 AEEERN C=CC[C@@H]1CC[C@@H](C)C[C@H]1O 307312214 572471821 /nfs/dbraw/zinc/47/18/21/572471821.db2.gz GLIJEFDZMLGRNB-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN COCCCCC(=O)C=C(C)C 308038818 572471855 /nfs/dbraw/zinc/47/18/55/572471855.db2.gz MBQWIDPGCKELKK-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN CC1=CC[C@@](O)(C(C)(C)C#N)CC1 34088796 572472167 /nfs/dbraw/zinc/47/21/67/572472167.db2.gz NHGAXFREGPQUGQ-NSHDSACASA-N 0 0 179.263 2.397 10 30 AEEERN C#C/C=C/C=C/C=C/[C@@H](O)CCC 238259291 572472219 /nfs/dbraw/zinc/47/22/19/572472219.db2.gz LZNJKIFEOKXEET-NADBDLSBSA-N 0 0 176.259 2.449 10 30 AEEERN CC1=CC[C@](O)(C(C)(C)C#N)CC1 34088795 572472283 /nfs/dbraw/zinc/47/22/83/572472283.db2.gz NHGAXFREGPQUGQ-LLVKDONJSA-N 0 0 179.263 2.397 10 30 AEEERN C=C(C)[C@@H](O)c1csc(CC)n1 307304208 572475093 /nfs/dbraw/zinc/47/50/93/572475093.db2.gz GTDGCTMKMWREEO-SECBINFHSA-N 0 0 183.276 2.315 10 30 AEEERN CCC[C@@H](O)[C@H]1O[C@@H]1c1ccccc1 238260675 572472487 /nfs/dbraw/zinc/47/24/87/572472487.db2.gz MPTLSLATQBCLLO-IJLUTSLNSA-N 0 0 192.258 2.288 10 30 AEEERN C#CC[C@H](O)[C@@H](CC)CC(C)C 308039043 572472694 /nfs/dbraw/zinc/47/26/94/572472694.db2.gz YQDXIYGOGGSRIN-QWRGUYRKSA-N 0 0 168.280 2.443 10 30 AEEERN C#CC[C@@H](O)[C@@H](CC)CC(C)C 308039044 572472726 /nfs/dbraw/zinc/47/27/26/572472726.db2.gz YQDXIYGOGGSRIN-WDEREUQCSA-N 0 0 168.280 2.443 10 30 AEEERN N#Cc1onc(-c2ccccc2)c1C#N 197481327 572473558 /nfs/dbraw/zinc/47/35/58/572473558.db2.gz HTZSICOWMVSQEI-UHFFFAOYSA-N 0 0 195.181 2.085 10 30 AEEERN C=C(C)[C@@H](O)CSCCC 307304740 572475175 /nfs/dbraw/zinc/47/51/75/572475175.db2.gz CCDLYOIMVZYMLR-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN CCC[C@H](O)C(C#N)(CC)CC 238260711 572473735 /nfs/dbraw/zinc/47/37/35/572473735.db2.gz NSYRVSNTWHFDGL-VIFPVBQESA-N 0 0 169.268 2.477 10 30 AEEERN C#C[C@@H](CCC)[C@H](O)CCC 238259387 572473740 /nfs/dbraw/zinc/47/37/40/572473740.db2.gz CIYCYYXUAHYKJY-VHSXEESVSA-N 0 0 154.253 2.197 10 30 AEEERN Cc1ccc(N(C)C2CC2)c(C#N)c1 234261993 572475180 /nfs/dbraw/zinc/47/51/80/572475180.db2.gz NYSMFWQYNKLWRT-UHFFFAOYSA-N 0 0 186.258 2.465 10 30 AEEERN CCN[C@H](c1ccccc1)[C@@H](C)C#N 238261442 572473911 /nfs/dbraw/zinc/47/39/11/572473911.db2.gz FYYAKGAPSZQSRS-JQWIXIFHSA-N 0 0 188.274 2.497 10 30 AEEERN CCc1nn2c(C)cccc2c1C#N 34139998 572475243 /nfs/dbraw/zinc/47/52/43/572475243.db2.gz MSDQMVPTVZGXSM-UHFFFAOYSA-N 0 0 185.230 2.077 10 30 AEEERN C#C[C@H](C)Nc1ccc2c(c1)CCO2 307319814 572474258 /nfs/dbraw/zinc/47/42/58/572474258.db2.gz ODWGTZQLGOKGCX-VIFPVBQESA-N 0 0 187.242 2.055 10 30 AEEERN C=CC(C)(C)COC[C@@H](O)C(C)C 402447896 572474381 /nfs/dbraw/zinc/47/43/81/572474381.db2.gz QYRSVHSGYOOGHA-SNVBAGLBSA-N 0 0 186.295 2.232 10 30 AEEERN CC1(C)CCCC(C)(C)N1NCC#N 34285405 572477403 /nfs/dbraw/zinc/47/74/03/572477403.db2.gz JHBUMBKHUFFXPR-UHFFFAOYSA-N 0 0 195.310 2.058 10 30 AEEERN CCC[C@H](O)C#C/C=C/SCC 238259976 572474432 /nfs/dbraw/zinc/47/44/32/572474432.db2.gz YDTOYCZNUNNMNP-ZKXNXJMVSA-N 0 0 184.304 2.418 10 30 AEEERN CC(=O)C[C@@H](C#N)Cc1ccccc1 34172221 572474754 /nfs/dbraw/zinc/47/47/54/572474754.db2.gz LZBDOUDQSPAFDX-GFCCVEGCSA-N 0 0 187.242 2.348 10 30 AEEERN C=C(C[C@H](O)OCC)c1ccccc1 238260412 572474765 /nfs/dbraw/zinc/47/47/65/572474765.db2.gz LICGGLJXQLJTON-GFCCVEGCSA-N 0 0 192.258 2.445 10 30 AEEERN Cc1cccc(NC2=NCCC2)c1C#N 235930295 572474822 /nfs/dbraw/zinc/47/48/22/572474822.db2.gz IWROPEZIVBWJSI-UHFFFAOYSA-N 0 0 199.257 2.471 10 30 AEEERN CCC[C@@H](O)[C@H](C)C(=O)/C=C/Cl 238259025 572474893 /nfs/dbraw/zinc/47/48/93/572474893.db2.gz TZPRQAQBHNCGNY-LXBADBFVSA-N 0 0 190.670 2.105 10 30 AEEERN C#Cc1ccccc1C#C[C@@H](O)CCC 238260049 572474997 /nfs/dbraw/zinc/47/49/97/572474997.db2.gz VPYJRFSKVAANBR-AWEZNQCLSA-N 0 0 198.265 2.180 10 30 AEEERN CC1=CC[C@](C#N)(C(C)(C)O)C1 34110831 572475237 /nfs/dbraw/zinc/47/52/37/572475237.db2.gz WMJUOXLVDUNACK-JTQLQIEISA-N 0 0 165.236 2.007 10 30 AEEERN N#CCCC[C@@H](O)c1ccccc1 34241223 572475240 /nfs/dbraw/zinc/47/52/40/572475240.db2.gz SZBSQNGXQVBYNW-LLVKDONJSA-N 0 0 175.231 2.414 10 30 AEEERN O[C@@H](C#Cc1ccccc1)C1CCC1 307338374 572475285 /nfs/dbraw/zinc/47/52/85/572475285.db2.gz QITZCMPDXRHKPE-ZDUSSCGKSA-N 0 0 186.254 2.199 10 30 AEEERN COC(=O)CCCCCCCC#N 34260372 572475383 /nfs/dbraw/zinc/47/53/83/572475383.db2.gz SLDQKLBJBIPHFE-UHFFFAOYSA-N 0 0 183.251 2.414 10 30 AEEERN C=CCN(C)c1ccc(N)c(C)c1 307339980 572475503 /nfs/dbraw/zinc/47/55/03/572475503.db2.gz SFYNPHWUKHGERR-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN C=CCSc1ncccc1O 307308625 572475620 /nfs/dbraw/zinc/47/56/20/572475620.db2.gz WSUICTNFJPXKFC-UHFFFAOYSA-N 0 0 167.233 2.065 10 30 AEEERN C/C=C(\C)[C@@H](OCC)[C@@H](C)C=O 238261401 572475666 /nfs/dbraw/zinc/47/56/66/572475666.db2.gz OTAOMQGSUUNNFY-AIYFBYTFSA-N 0 0 170.252 2.193 10 30 AEEERN CC[C@@H](CCCC#N)C(C)=O 238261178 572475735 /nfs/dbraw/zinc/47/57/35/572475735.db2.gz ZPXUCUJMAVEKOT-VIFPVBQESA-N 0 0 153.225 2.295 10 30 AEEERN N#Cc1sccc1-n1cccc1 34111656 572475816 /nfs/dbraw/zinc/47/58/16/572475816.db2.gz RJEJJEDMJIUFOE-UHFFFAOYSA-N 0 0 174.228 2.410 10 30 AEEERN Cc1cc(N)ccc1C(C)(C)C#N 141417877 572478502 /nfs/dbraw/zinc/47/85/02/572478502.db2.gz RXXOIHVOWJHVDE-UHFFFAOYSA-N 0 0 174.247 2.378 10 30 AEEERN Cc1cc([C@H](C)N[C@H](C)C#N)c(C)o1 44730148 572476109 /nfs/dbraw/zinc/47/61/09/572476109.db2.gz XIBRAKLGNNXRQM-APPZFPTMSA-N 0 0 192.262 2.459 10 30 AEEERN C#C[C@H]1[C@H]2CCCC[C@@H]2CC[C@H]1O 307305898 572476148 /nfs/dbraw/zinc/47/61/48/572476148.db2.gz XPDRZHLTTXMQMC-NOOOWODRSA-N 0 0 178.275 2.197 10 30 AEEERN C#CC[C@H](O)C1=CC[C@H]2C[C@@H]1C2(C)C 307320199 572476272 /nfs/dbraw/zinc/47/62/72/572476272.db2.gz ONNIEWGHFOMDBK-DLOVCJGASA-N 0 0 190.286 2.363 10 30 AEEERN C=CCO/C(C)=C\[C@H](O)CCC 238261142 572476289 /nfs/dbraw/zinc/47/62/89/572476289.db2.gz QZSVGSJFXVQJCE-HSTULFTRSA-N 0 0 170.252 2.254 10 30 AEEERN Cc1cc([C@H](C)N[C@@H](C)C#N)c(C)o1 44730146 572476300 /nfs/dbraw/zinc/47/63/00/572476300.db2.gz XIBRAKLGNNXRQM-CBAPKCEASA-N 0 0 192.262 2.459 10 30 AEEERN CCCC(=O)C=C=C[C@@H](O)CCC 238261227 572476377 /nfs/dbraw/zinc/47/63/77/572476377.db2.gz IZWZXFPYIARXSY-MDNDIQLQSA-N 0 0 182.263 2.228 10 30 AEEERN CC[C@@H](C)O[P@](=O)(CC)CC=O 238261292 572476314 /nfs/dbraw/zinc/47/63/14/572476314.db2.gz QYVHDTSAIPMUDI-PRHODGIISA-N 0 0 192.195 2.298 10 30 AEEERN C=C[C@@](C)(C=O)[C@@H](CCC)OC(C)=O 238262492 572478534 /nfs/dbraw/zinc/47/85/34/572478534.db2.gz LQFQGECKYAJREW-MNOVXSKESA-N 0 0 198.262 2.109 10 30 AEEERN CCC/C=C(/CCCC)C(=O)CO 238259604 572476435 /nfs/dbraw/zinc/47/64/35/572476435.db2.gz NTBRRTXOXVRPNJ-YFHOEESVSA-N 0 0 184.279 2.465 10 30 AEEERN CSc1ccc(Cl)nc1C#N 34089310 572476721 /nfs/dbraw/zinc/47/67/21/572476721.db2.gz UJEQROPZAWNKLT-UHFFFAOYSA-N 0 0 184.651 2.329 10 30 AEEERN CC[C@@H](C)O[P@@](=O)(CC)CC=O 238261202 572476781 /nfs/dbraw/zinc/47/67/81/572476781.db2.gz QYVHDTSAIPMUDI-PELKAZGASA-N 0 0 192.195 2.298 10 30 AEEERN C=C(C(F)(F)F)[C@](C)(O)C1CC1 307324024 572476835 /nfs/dbraw/zinc/47/68/35/572476835.db2.gz JMCNDXRFJJJEHD-ZETCQYMHSA-N 0 0 180.169 2.266 10 30 AEEERN CSc1cc(C#N)c(Cl)cn1 34089319 572476838 /nfs/dbraw/zinc/47/68/38/572476838.db2.gz QWBDJNZRFGERCU-UHFFFAOYSA-N 0 0 184.651 2.329 10 30 AEEERN C=CC[C@H](O)/C=C/C[C@@H](O)CCC 238260914 572476897 /nfs/dbraw/zinc/47/68/97/572476897.db2.gz ACIZHZAASIWRJS-VAZREYJMSA-N 0 0 184.279 2.031 10 30 AEEERN CCC[C@H](O)C1(C=O)CCCCC1 238260965 572476987 /nfs/dbraw/zinc/47/69/87/572476987.db2.gz OWJIYSYYJOEWPN-JTQLQIEISA-N 0 0 184.279 2.297 10 30 AEEERN Cc1cc([C@@H](C)N[C@H](C)C#N)c(C)o1 44730147 572477464 /nfs/dbraw/zinc/47/74/64/572477464.db2.gz XIBRAKLGNNXRQM-VXNVDRBHSA-N 0 0 192.262 2.459 10 30 AEEERN CO/C=C\C#Cc1ccc(OC)cc1 34115875 572477548 /nfs/dbraw/zinc/47/75/48/572477548.db2.gz LVXVFZDOXLJEKW-WMZJFQQLSA-N 0 0 188.226 2.207 10 30 AEEERN CC(=O)C[C@H](C#N)Cc1ccccc1 34172219 572477566 /nfs/dbraw/zinc/47/75/66/572477566.db2.gz LZBDOUDQSPAFDX-LBPRGKRZSA-N 0 0 187.242 2.348 10 30 AEEERN CC#CC[C@H](NN)[C@@H]1CCCC[C@H]1C 307329057 572477681 /nfs/dbraw/zinc/47/76/81/572477681.db2.gz KZUMDSWOEAJTFZ-UTUOFQBUSA-N 0 0 194.322 2.058 10 30 AEEERN C=CC[C@H](C#N)CC 34102092 572477871 /nfs/dbraw/zinc/47/78/71/572477871.db2.gz GHRWIYRGPTXOOW-SSDOTTSWSA-N 0 0 109.172 2.112 10 30 AEEERN CCC[C@H](O)[C@@H](C)C(=O)/C=C/Cl 238263145 572477905 /nfs/dbraw/zinc/47/79/05/572477905.db2.gz TZPRQAQBHNCGNY-KTERXBQFSA-N 0 0 190.670 2.105 10 30 AEEERN C=CCN(C)c1ccc(N)cc1F 307374364 572477908 /nfs/dbraw/zinc/47/79/08/572477908.db2.gz XUSKYPLJMPTWIL-UHFFFAOYSA-N 0 0 180.226 2.030 10 30 AEEERN C=C(C)C(=O)C[C@@H](CCC)OC 238263129 572478126 /nfs/dbraw/zinc/47/81/26/572478126.db2.gz HLMANDDMBFRLKH-SECBINFHSA-N 0 0 170.252 2.337 10 30 AEEERN C=C(Cl)Cc1ccccc1C(N)=O 141439172 572478132 /nfs/dbraw/zinc/47/81/32/572478132.db2.gz MDRAMWZETCGKAN-UHFFFAOYSA-N 0 0 195.649 2.081 10 30 AEEERN CCc1nn2ccc(C)cc2c1C#N 34139999 572478232 /nfs/dbraw/zinc/47/82/32/572478232.db2.gz BTOKQRKLCIUDTR-UHFFFAOYSA-N 0 0 185.230 2.077 10 30 AEEERN Cc1cc([C@@H](C)N[C@@H](C)C#N)c(C)o1 44730145 572478291 /nfs/dbraw/zinc/47/82/91/572478291.db2.gz XIBRAKLGNNXRQM-IONNQARKSA-N 0 0 192.262 2.459 10 30 AEEERN CCC[C@@H](OCC)C(C)(C)C=O 238263000 572478410 /nfs/dbraw/zinc/47/84/10/572478410.db2.gz BTRROHLDBAWCRI-SECBINFHSA-N 0 0 172.268 2.417 10 30 AEEERN CCC[C@H](C=O)N(O)c1ccccc1 238262745 572478454 /nfs/dbraw/zinc/47/84/54/572478454.db2.gz WCDTXLBRLLOKTJ-LLVKDONJSA-N 0 0 193.246 2.250 10 30 AEEERN CCN[C@H](c1ccccc1)[C@H](C)C#N 238262810 572478676 /nfs/dbraw/zinc/47/86/76/572478676.db2.gz FYYAKGAPSZQSRS-PWSUYJOCSA-N 0 0 188.274 2.497 10 30 AEEERN CCC[C@H](O)[C@@H](C)C#CSCC 238263100 572478700 /nfs/dbraw/zinc/47/87/00/572478700.db2.gz BHXKSGBGAWIUJW-UWVGGRQHSA-N 0 0 186.320 2.498 10 30 AEEERN CCC[C@H](C=O)[C@@H](O)c1ccccc1 238262826 572478752 /nfs/dbraw/zinc/47/87/52/572478752.db2.gz BZXIGJFFNGCSOW-NEPJUHHUSA-N 0 0 192.258 2.335 10 30 AEEERN CCOCCC1=C(C)CCC1=O 238263181 572478847 /nfs/dbraw/zinc/47/88/47/572478847.db2.gz SJIBXXNSCKBLOZ-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN CCC[C@H](O)Cc1ccc(C#N)cc1 238262812 572478911 /nfs/dbraw/zinc/47/89/11/572478911.db2.gz PFDGLFNZHOZQIC-LBPRGKRZSA-N 0 0 189.258 2.262 10 30 AEEERN C=C[C@H](O)[C@@H](CC)Nc1ccccc1 238263284 572479249 /nfs/dbraw/zinc/47/92/49/572479249.db2.gz UMQPXNYADZOHPP-NEPJUHHUSA-N 0 0 191.274 2.424 10 30 AEEERN C=CC[C@H](/C=C/C)OC(=O)NCC 308040969 572479251 /nfs/dbraw/zinc/47/92/51/572479251.db2.gz BDMXWTGSJKYHJM-WHXYTISESA-N 0 0 183.251 2.253 10 30 AEEERN C=C(Cl)C(C)(C)CCC(N)=O 141438979 572479325 /nfs/dbraw/zinc/47/93/25/572479325.db2.gz DUSRNVANHKKVTD-UHFFFAOYSA-N 0 0 175.659 2.031 10 30 AEEERN C=C1CCC[C@@]1(C)CC=O 141469516 572479391 /nfs/dbraw/zinc/47/93/91/572479391.db2.gz YFENVKYKMBCGCH-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CCC[C@@H](OCC)[C@@H](C=O)CC 238263074 572479422 /nfs/dbraw/zinc/47/94/22/572479422.db2.gz SJRALZMCWSTEAI-NXEZZACHSA-N 0 0 172.268 2.417 10 30 AEEERN C=C[C@](C)(C=O)[C@@H](CCC)OC(C)=O 238262522 572479515 /nfs/dbraw/zinc/47/95/15/572479515.db2.gz LQFQGECKYAJREW-GHMZBOCLSA-N 0 0 198.262 2.109 10 30 AEEERN CCCCc1ccc(/C(N)=N/O)s1 238263275 572479613 /nfs/dbraw/zinc/47/96/13/572479613.db2.gz VJHOFPPFKWGUEW-UHFFFAOYSA-N 0 0 198.291 2.185 10 30 AEEERN C=CCCO[C@H]1CCCCC[C@H]1O 402450418 572479756 /nfs/dbraw/zinc/47/97/56/572479756.db2.gz SEPHEDJSUPMPMM-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN CCC[C@H](CC#N)C[C@@H](C)O 238263094 572479781 /nfs/dbraw/zinc/47/97/81/572479781.db2.gz JLCBBNIIELTFOK-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CCC[C@H](CC#N)C[C@H](C)O 238263101 572479810 /nfs/dbraw/zinc/47/98/10/572479810.db2.gz JLCBBNIIELTFOK-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN CCC[C@@H](OCC)[C@H](C)C=O 238263069 572479813 /nfs/dbraw/zinc/47/98/13/572479813.db2.gz HKWNHQPKPJCJIP-RKDXNWHRSA-N 0 0 158.241 2.027 10 30 AEEERN CCC[C@@H](OCC)[C@H](C=O)CC 238263041 572479938 /nfs/dbraw/zinc/47/99/38/572479938.db2.gz SJRALZMCWSTEAI-VHSXEESVSA-N 0 0 172.268 2.417 10 30 AEEERN CCC[C@H](O)Cc1ccccc1C#N 238262854 572479986 /nfs/dbraw/zinc/47/99/86/572479986.db2.gz ITQZFERWNYRUQA-LBPRGKRZSA-N 0 0 189.258 2.262 10 30 AEEERN C=CCNC(=O)S[C@H](C)CC 238262670 572479959 /nfs/dbraw/zinc/47/99/59/572479959.db2.gz GPQVVESPGQXZJE-SSDOTTSWSA-N 0 0 173.281 2.414 10 30 AEEERN CCC[C@@H](OC)C1=CCCC1=O 238262722 572480057 /nfs/dbraw/zinc/48/00/57/572480057.db2.gz WOECOMVAMNSDSU-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CCC[C@@H](OCC)[C@@H](C)C=O 238263030 572480062 /nfs/dbraw/zinc/48/00/62/572480062.db2.gz HKWNHQPKPJCJIP-DTWKUNHWSA-N 0 0 158.241 2.027 10 30 AEEERN CC#CC(=O)Nc1ccsc1Cl 307335372 572480228 /nfs/dbraw/zinc/48/02/28/572480228.db2.gz RKWFKAXENZRZBA-UHFFFAOYSA-N 0 0 199.662 2.363 10 30 AEEERN C=CCCO[C@@H]1CCCCC[C@@H]1O 402450420 572480584 /nfs/dbraw/zinc/48/05/84/572480584.db2.gz SEPHEDJSUPMPMM-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN CCC[C@H](C=O)[C@H](O)c1ccccc1 238262884 572480692 /nfs/dbraw/zinc/48/06/92/572480692.db2.gz BZXIGJFFNGCSOW-VXGBXAGGSA-N 0 0 192.258 2.335 10 30 AEEERN C=CCCO[C@@H]1CCCCC[C@H]1O 402450417 572480744 /nfs/dbraw/zinc/48/07/44/572480744.db2.gz SEPHEDJSUPMPMM-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN C#Cc1ccccc1NCC=C 141356723 572481520 /nfs/dbraw/zinc/48/15/20/572481520.db2.gz AERJBODGAATGPS-UHFFFAOYSA-N 0 0 157.216 2.266 10 30 AEEERN C/C=C(\C)[C@@H](OCC)[C@H](C)C=O 238261657 572483262 /nfs/dbraw/zinc/48/32/62/572483262.db2.gz OTAOMQGSUUNNFY-STFJZOTBSA-N 0 0 170.252 2.193 10 30 AEEERN O=C1C=CC[C@H]1Cc1ccccc1 141333383 572481721 /nfs/dbraw/zinc/48/17/21/572481721.db2.gz GTESFFWEOHCTER-NSHDSACASA-N 0 0 172.227 2.374 10 30 AEEERN C=CCCO[C@H]1CCCCC[C@@H]1O 402450419 572481960 /nfs/dbraw/zinc/48/19/60/572481960.db2.gz SEPHEDJSUPMPMM-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN CC#C[C@@]1(O)CCCC12CCC2 307316269 572482097 /nfs/dbraw/zinc/48/20/97/572482097.db2.gz NIKFVQNHXFQHGF-LLVKDONJSA-N 0 0 164.248 2.095 10 30 AEEERN CO[C@@H](C)C(=O)C1=CCCCC1 234750780 572482150 /nfs/dbraw/zinc/48/21/50/572482150.db2.gz PRYISQFPXUOIOX-QMMMGPOBSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1ccc(C#N)cc1N1CC=CC1 118879193 572482192 /nfs/dbraw/zinc/48/21/92/572482192.db2.gz NTTNNTREZIHNCC-UHFFFAOYSA-N 0 0 184.242 2.243 10 30 AEEERN CCC[C@]1(C=O)O[C@@H]1c1ccccc1 238261596 572482290 /nfs/dbraw/zinc/48/22/90/572482290.db2.gz LKOMSWJEYZDPAZ-VXGBXAGGSA-N 0 0 190.242 2.496 10 30 AEEERN C#Cc1ccc(CF)cc1 114453345 572482312 /nfs/dbraw/zinc/48/23/12/572482312.db2.gz VYMKWEZWAJCYEA-UHFFFAOYSA-N 0 0 134.153 2.137 10 30 AEEERN CC(C)(C)CC[C@@H]1CO1 114471440 572482462 /nfs/dbraw/zinc/48/24/62/572482462.db2.gz WAHCIOYRXXNHEZ-SSDOTTSWSA-N 0 0 128.215 2.212 10 30 AEEERN O=C1C=CC[C@@H]1Cc1ccccc1 141333573 572483222 /nfs/dbraw/zinc/48/32/22/572483222.db2.gz GTESFFWEOHCTER-LLVKDONJSA-N 0 0 172.227 2.374 10 30 AEEERN CCC[C@]1(C=O)O[C@H]1c1ccccc1 238261609 572482547 /nfs/dbraw/zinc/48/25/47/572482547.db2.gz LKOMSWJEYZDPAZ-NWDGAFQWSA-N 0 0 190.242 2.496 10 30 AEEERN C=CCN1C[C@@H](C)Nc2ccccc21 76927158 572482672 /nfs/dbraw/zinc/48/26/72/572482672.db2.gz FRAGZIBQFWOJIV-SNVBAGLBSA-N 0 0 188.274 2.493 10 30 AEEERN OCCCCCC#C/C=C\Cl 141370345 572482689 /nfs/dbraw/zinc/48/26/89/572482689.db2.gz MKQICFBWKVDLDT-VURMDHGXSA-N 0 0 172.655 2.295 10 30 AEEERN CC=NOC(=O)Nc1ccccc1 141367448 572482837 /nfs/dbraw/zinc/48/28/37/572482837.db2.gz YUWQCAUPCSDCNP-WTDSWWLTSA-N 0 0 178.191 2.241 10 30 AEEERN C=C[C@@H](O)[C@@H](CC)Nc1ccccc1 238263335 572482886 /nfs/dbraw/zinc/48/28/86/572482886.db2.gz UMQPXNYADZOHPP-VXGBXAGGSA-N 0 0 191.274 2.424 10 30 AEEERN CCO[C@H](/C(C)=C/Cl)[C@H](C)C=O 238261667 572482988 /nfs/dbraw/zinc/48/29/88/572482988.db2.gz BOURLKTYWAZQNI-LKJMDQPVSA-N 0 0 190.670 2.369 10 30 AEEERN C=CC[C@@H](/C=C/C)OC(=O)NCC 308040968 572483170 /nfs/dbraw/zinc/48/31/70/572483170.db2.gz BDMXWTGSJKYHJM-QRJSTWQJSA-N 0 0 183.251 2.253 10 30 AEEERN CO[C@@H](C)C(=O)C1=CCCCCC1 234750819 572483431 /nfs/dbraw/zinc/48/34/31/572483431.db2.gz GZGAFZAMBQRWOM-VIFPVBQESA-N 0 0 182.263 2.481 10 30 AEEERN CCC[C@H](O)[C@@H]1O[C@@H]1c1ccccc1 238264022 572483662 /nfs/dbraw/zinc/48/36/62/572483662.db2.gz MPTLSLATQBCLLO-TUAOUCFPSA-N 0 0 192.258 2.288 10 30 AEEERN CCCC(C#N)(CCC)C(=O)N(C)C 44812228 572483792 /nfs/dbraw/zinc/48/37/92/572483792.db2.gz UANLPVLJNXHCJE-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN C=CCN1C[C@H](C)Nc2ccccc21 76927159 572483950 /nfs/dbraw/zinc/48/39/50/572483950.db2.gz FRAGZIBQFWOJIV-JTQLQIEISA-N 0 0 188.274 2.493 10 30 AEEERN CC[C@@H](C)CC[C@@H]1O[C@@]1(C)C=O 238263340 572484002 /nfs/dbraw/zinc/48/40/02/572484002.db2.gz IJZNHDBWXHVGBF-UTLUCORTSA-N 0 0 170.252 2.169 10 30 AEEERN O=CC#Cc1ccc2ccccc2c1 114467168 572484055 /nfs/dbraw/zinc/48/40/55/572484055.db2.gz IVWILEURWXHZMZ-UHFFFAOYSA-N 0 0 180.206 2.390 10 30 AEEERN C#C[C@H](CCC)[C@@H](O)CCC 238263374 572484074 /nfs/dbraw/zinc/48/40/74/572484074.db2.gz CIYCYYXUAHYKJY-ZJUUUORDSA-N 0 0 154.253 2.197 10 30 AEEERN CCOCC(C=O)(CC)CC 238261670 572484205 /nfs/dbraw/zinc/48/42/05/572484205.db2.gz COFGNRXMIGYSPT-UHFFFAOYSA-N 0 0 158.241 2.028 10 30 AEEERN CC[C@H](C#N)NCC1(CC)CC1 231971838 572484265 /nfs/dbraw/zinc/48/42/65/572484265.db2.gz YOCUDGOIFJIOPU-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN C#C[C@@H](O)c1csc(Cl)c1 307373844 572484592 /nfs/dbraw/zinc/48/45/92/572484592.db2.gz SSPFHYCJQNOGCJ-ZCFIWIBFSA-N 0 0 172.636 2.068 10 30 AEEERN CCC[C@H](C#N)Oc1ccc(O)cc1 238263396 572484920 /nfs/dbraw/zinc/48/49/20/572484920.db2.gz XSGVSPWOEHPHCF-LLVKDONJSA-N 0 0 191.230 2.463 10 30 AEEERN C#C[C@@](C)(CC)Nc1cccc(F)n1 307363911 572484730 /nfs/dbraw/zinc/48/47/30/572484730.db2.gz HVUXQXUPPHOICY-NSHDSACASA-N 0 0 192.237 2.435 10 30 AEEERN CCCCc1ccc(CC=O)o1 238263418 572484733 /nfs/dbraw/zinc/48/47/33/572484733.db2.gz BLCLFTMDFLNEHQ-UHFFFAOYSA-N 0 0 166.220 2.364 10 30 AEEERN Nc1ccc(F)cc1C#CC1CC1 141382399 572485073 /nfs/dbraw/zinc/48/50/73/572485073.db2.gz CZWLOYVBPPORBL-UHFFFAOYSA-N 0 0 175.206 2.169 10 30 AEEERN C=C1[C@@H]2C[C@@H](CC[C@H]2O)C1(C)C 307455584 572485632 /nfs/dbraw/zinc/48/56/32/572485632.db2.gz XIWLASOXGRVYNP-KXUCPTDWSA-N 0 0 166.264 2.360 10 30 AEEERN C#CCCC(=O)C1CC(F)(F)C1 307459351 572485510 /nfs/dbraw/zinc/48/55/10/572485510.db2.gz FFNMBTQXZXZDKE-UHFFFAOYSA-N 0 0 172.174 2.014 10 30 AEEERN C=CC[C@@]1(CCC)CNC(=O)OC1 238261891 572486015 /nfs/dbraw/zinc/48/60/15/572486015.db2.gz ZEIHJLKEVVPDAG-SNVBAGLBSA-N 0 0 183.251 2.089 10 30 AEEERN CC(C)C=NOC1CCC1 307772759 572486123 /nfs/dbraw/zinc/48/61/23/572486123.db2.gz DXQWPJKVWOGSSP-UHFFFAOYSA-N 0 0 141.214 2.197 10 30 AEEERN C=CCNC(=O)[C@@H](CC)[C@@H](C)CC 238264715 572486214 /nfs/dbraw/zinc/48/62/14/572486214.db2.gz BWRWYXTZLHZCLS-UWVGGRQHSA-N 0 0 183.295 2.361 10 30 AEEERN C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCO 307315944 572486456 /nfs/dbraw/zinc/48/64/56/572486456.db2.gz MYGDFGIGJANVGM-VWYCJHECSA-N 0 0 166.264 2.361 10 30 AEEERN CC(C)(CC#N)c1ccc(N)cc1 141481446 572486465 /nfs/dbraw/zinc/48/64/65/572486465.db2.gz ARBKFVCQDCFTER-UHFFFAOYSA-N 0 0 174.247 2.460 10 30 AEEERN C=CCc1cc(C)ns1 307452735 572486527 /nfs/dbraw/zinc/48/65/27/572486527.db2.gz WSCVJTPYQTWBRF-UHFFFAOYSA-N 0 0 139.223 2.180 10 30 AEEERN CCC[C@@H]1CC(=O)C(CCO)=C1C 238264998 572486871 /nfs/dbraw/zinc/48/68/71/572486871.db2.gz LZZCTLBAFIUXLY-SECBINFHSA-N 0 0 182.263 2.074 10 30 AEEERN C#C[C@H](O)[C@H]1CCCC[C@H]1CC 307398894 572486945 /nfs/dbraw/zinc/48/69/45/572486945.db2.gz ZLEVPTSJJKRZHQ-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@H](C#N)NCCSC(C)C 308040639 572487067 /nfs/dbraw/zinc/48/70/67/572487067.db2.gz NCVISWGPSTURIA-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN Cc1ccccc1C(=O)/C=C\N(C)C 90501614 572487174 /nfs/dbraw/zinc/48/71/74/572487174.db2.gz MTAPLSSLUPAWRM-HJWRWDBZSA-N 0 0 189.258 2.253 10 30 AEEERN C=C[C@H](C)Nc1ccn(C(C)C)n1 300927869 572487264 /nfs/dbraw/zinc/48/72/64/572487264.db2.gz VKGABLDTEABNMB-VIFPVBQESA-N 0 0 179.267 2.450 10 30 AEEERN C[C@H](C#N)CC(=O)c1ccccc1C#N 235081336 572487363 /nfs/dbraw/zinc/48/73/63/572487363.db2.gz TZVDLMBAGPCTPO-VIFPVBQESA-N 0 0 198.225 2.291 10 30 AEEERN C#C[C@@H](CCC)[C@@H](O)CCC 238264577 572487391 /nfs/dbraw/zinc/48/73/91/572487391.db2.gz CIYCYYXUAHYKJY-UWVGGRQHSA-N 0 0 154.253 2.197 10 30 AEEERN CC[C@@H](C)C=C(C(C)=O)C(C)=O 238262079 572487432 /nfs/dbraw/zinc/48/74/32/572487432.db2.gz CERFYEPFLKWSOF-SSDOTTSWSA-N 0 0 168.236 2.137 10 30 AEEERN CCC[C@@H]1CC(=O)C(C)=C1CCO 238264978 572487574 /nfs/dbraw/zinc/48/75/74/572487574.db2.gz CZXAGBHXQUTLPP-SECBINFHSA-N 0 0 182.263 2.074 10 30 AEEERN C#C[C@@H](O)c1csc2c1CCCC2 307353965 572487702 /nfs/dbraw/zinc/48/77/02/572487702.db2.gz WVCYVFONXYXDQR-SNVBAGLBSA-N 0 0 192.283 2.294 10 30 AEEERN C=CCN1C[C@@H](C)c2ncccc21 141489833 572488026 /nfs/dbraw/zinc/48/80/26/572488026.db2.gz QFIWXFYHUMUYFQ-SECBINFHSA-N 0 0 174.247 2.191 10 30 AEEERN CCC[C@H](O)[C@H](C)C(=O)/C=C/Cl 238264321 572488192 /nfs/dbraw/zinc/48/81/92/572488192.db2.gz TZPRQAQBHNCGNY-JBGJSGBSSA-N 0 0 190.670 2.105 10 30 AEEERN C=CCN1C[C@H](C)c2ncccc21 141489996 572488323 /nfs/dbraw/zinc/48/83/23/572488323.db2.gz QFIWXFYHUMUYFQ-VIFPVBQESA-N 0 0 174.247 2.191 10 30 AEEERN C=CC[C@@H](O)CC(=O)c1ccccc1 141388279 572488457 /nfs/dbraw/zinc/48/84/57/572488457.db2.gz VPEUOSWEUYISKG-LLVKDONJSA-N 0 0 190.242 2.196 10 30 AEEERN CCC(C)=NOCC(C)C 307771695 572488616 /nfs/dbraw/zinc/48/86/16/572488616.db2.gz CRYWWCJKHWTRPP-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN CCC[C@H](O)[C@H](C)C#CSCC 238264272 572488688 /nfs/dbraw/zinc/48/86/88/572488688.db2.gz BHXKSGBGAWIUJW-ZJUUUORDSA-N 0 0 186.320 2.498 10 30 AEEERN O=C(C1=CCCCC1)[C@@H]1CCCOC1 62229770 572488748 /nfs/dbraw/zinc/48/87/48/572488748.db2.gz RZSCFIWPLAELJR-LLVKDONJSA-N 0 0 194.274 2.483 10 30 AEEERN CN1CC[C@H]1[C@H](C#N)C1CCCCC1 250598145 572488974 /nfs/dbraw/zinc/48/89/74/572488974.db2.gz JGGHFLKFTWIWFC-NEPJUHHUSA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H](C#N)N1CCc2ccc(F)cc21 235084382 572489497 /nfs/dbraw/zinc/48/94/97/572489497.db2.gz NZSVAQCARDFEDI-QMMMGPOBSA-N 0 0 190.221 2.100 10 30 AEEERN C[C@@H](CC#N)C(=O)c1ccccc1C#N 235087716 572489527 /nfs/dbraw/zinc/48/95/27/572489527.db2.gz JDOFJSACWFZLOL-VIFPVBQESA-N 0 0 198.225 2.291 10 30 AEEERN CC#CC[C@@H](O)c1cc(C)cc(C)n1 307456672 572489621 /nfs/dbraw/zinc/48/96/21/572489621.db2.gz GALXVGVWNSRDIP-GFCCVEGCSA-N 0 0 189.258 2.145 10 30 AEEERN C=C[C@@](C)(C=O)[C@H](CCC)OC(C)=O 238267373 572489847 /nfs/dbraw/zinc/48/98/47/572489847.db2.gz LQFQGECKYAJREW-QWRGUYRKSA-N 0 0 198.262 2.109 10 30 AEEERN CN1CC[C@@H]1[C@H](C#N)C1CCCCC1 250598151 572489928 /nfs/dbraw/zinc/48/99/28/572489928.db2.gz JGGHFLKFTWIWFC-VXGBXAGGSA-N 0 0 192.306 2.411 10 30 AEEERN CC(C)Sc1nccc(C#N)c1N 214642220 572490141 /nfs/dbraw/zinc/49/01/41/572490141.db2.gz BJXZVFZYVLBGKG-UHFFFAOYSA-N 0 0 193.275 2.036 10 30 AEEERN CC#C[C@](C)(O)c1ccc(CC)cc1 307449224 572490172 /nfs/dbraw/zinc/49/01/72/572490172.db2.gz NLKIEDNFZKIBBA-ZDUSSCGKSA-N 0 0 188.270 2.480 10 30 AEEERN CCC[C@@H](C#CCCO)OC(C)(C)C 238267243 572490447 /nfs/dbraw/zinc/49/04/47/572490447.db2.gz UAXHYGKIRQMFLN-NSHDSACASA-N 0 0 198.306 2.356 10 30 AEEERN CCC[C@H](OC)C1=CCCC1=O 238267662 572490895 /nfs/dbraw/zinc/49/08/95/572490895.db2.gz WOECOMVAMNSDSU-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN C=CC(F)(F)C(F)(F)[C@H](O)CC 238266836 572491074 /nfs/dbraw/zinc/49/10/74/572491074.db2.gz DGJNZAGSZOYSJD-RXMQYKEDSA-N 0 0 186.148 2.214 10 30 AEEERN CC[C@@H](O)C(=O)/C=C/c1ccccc1 238266464 572491079 /nfs/dbraw/zinc/49/10/79/572491079.db2.gz YPLDNGFADVJDRZ-ANYFNZRUSA-N 0 0 190.242 2.040 10 30 AEEERN C=CCNC(=O)[C@H](CC)[C@H](C)CC 238266191 572491293 /nfs/dbraw/zinc/49/12/93/572491293.db2.gz BWRWYXTZLHZCLS-NXEZZACHSA-N 0 0 183.295 2.361 10 30 AEEERN CC#C[C@H](O)c1coc2ccccc12 307403951 572491534 /nfs/dbraw/zinc/49/15/34/572491534.db2.gz CFHTWKFUSZXQMM-NSHDSACASA-N 0 0 186.210 2.490 10 30 AEEERN C=C[C@](C)(C=O)[C@H](CCC)OC(C)=O 238267425 572491647 /nfs/dbraw/zinc/49/16/47/572491647.db2.gz LQFQGECKYAJREW-WDEREUQCSA-N 0 0 198.262 2.109 10 30 AEEERN CCc1c(C#N)csc1C 156712342 572491888 /nfs/dbraw/zinc/49/18/88/572491888.db2.gz FWXVCVNBLZZNQJ-UHFFFAOYSA-N 0 0 151.234 2.491 10 30 AEEERN C#CC[C@@H](O)c1csc(C)c1C 307479456 572492176 /nfs/dbraw/zinc/49/21/76/572492176.db2.gz WSBQHMKSLKHUOO-SNVBAGLBSA-N 0 0 180.272 2.422 10 30 AEEERN CCC[C@H](O)[C@H]1O[C@@H]1c1ccccc1 238265848 572491960 /nfs/dbraw/zinc/49/19/60/572491960.db2.gz MPTLSLATQBCLLO-QJPTWQEYSA-N 0 0 192.258 2.288 10 30 AEEERN CCNC(=CC(C)=O)CC(C)C 238266437 572492041 /nfs/dbraw/zinc/49/20/41/572492041.db2.gz UKMDEQXHHIZEJW-YFHOEESVSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCO/C(C)=C\[C@@H](O)CCC 238266260 572492400 /nfs/dbraw/zinc/49/24/00/572492400.db2.gz QZSVGSJFXVQJCE-QROTZFDESA-N 0 0 170.252 2.254 10 30 AEEERN CCC[C@H]([C@H](C)C=O)[C@@H](C=O)CC 238269336 572492436 /nfs/dbraw/zinc/49/24/36/572492436.db2.gz ZYQRZHVBDTULKO-GMTAPVOTSA-N 0 0 184.279 2.463 10 30 AEEERN CC#CCC[C@]1(O)CCCC[C@H]1OC 234746733 572492951 /nfs/dbraw/zinc/49/29/51/572492951.db2.gz OEFZPYCWXMQMQX-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN CCC[C@H](OCC)[C@H](C=O)CC 238268039 572493681 /nfs/dbraw/zinc/49/36/81/572493681.db2.gz SJRALZMCWSTEAI-UWVGGRQHSA-N 0 0 172.268 2.417 10 30 AEEERN C#C[C@@H]1C[C@@H]2CCCC[C@H]2CC1=O 307478608 572493271 /nfs/dbraw/zinc/49/32/71/572493271.db2.gz IUVFZVKCOPUBPK-VWYCJHECSA-N 0 0 176.259 2.405 10 30 AEEERN C=CC[C@H](C[C@H](C)CC)C(N)=O 238269112 572493408 /nfs/dbraw/zinc/49/34/08/572493408.db2.gz NJERQHXNCRTATH-RKDXNWHRSA-N 0 0 169.268 2.100 10 30 AEEERN C=C1CCCN(C(=O)C=C(C)C)C1 307463100 572493559 /nfs/dbraw/zinc/49/35/59/572493559.db2.gz GNXMJEDWVGCWEA-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C#CC[C@H](O)c1csc(C)c1C 307479455 572493599 /nfs/dbraw/zinc/49/35/99/572493599.db2.gz WSBQHMKSLKHUOO-JTQLQIEISA-N 0 0 180.272 2.422 10 30 AEEERN CCC[C@H](OCC)C(C)(C)C=O 238267979 572493780 /nfs/dbraw/zinc/49/37/80/572493780.db2.gz BTRROHLDBAWCRI-VIFPVBQESA-N 0 0 172.268 2.417 10 30 AEEERN CCC[C@H](OCC)[C@@H](C=O)CC 238268088 572494109 /nfs/dbraw/zinc/49/41/09/572494109.db2.gz SJRALZMCWSTEAI-ZJUUUORDSA-N 0 0 172.268 2.417 10 30 AEEERN C=C(C)CNc1cc(SC)ncn1 235089861 572494219 /nfs/dbraw/zinc/49/42/19/572494219.db2.gz NFZYKRQYFZPVAE-UHFFFAOYSA-N 0 0 195.291 2.187 10 30 AEEERN N#Cc1csc2c1CCSC2 156714191 572494235 /nfs/dbraw/zinc/49/42/35/572494235.db2.gz NDKPWLZJPGRFJQ-UHFFFAOYSA-N 0 0 181.285 2.409 10 30 AEEERN C=C(C)CON=C1CCCCCN1 307418969 572494266 /nfs/dbraw/zinc/49/42/66/572494266.db2.gz MJFKSOBPWDJPJU-UHFFFAOYSA-N 0 0 182.267 2.056 10 30 AEEERN C=CC[C@@H]1CCC[C@H]1OC 307461584 572494323 /nfs/dbraw/zinc/49/43/23/572494323.db2.gz DNRFTANXZRPREZ-RKDXNWHRSA-N 0 0 140.226 2.378 10 30 AEEERN CCC[C@H](OCC)[C@H](C)C=O 238268077 572494563 /nfs/dbraw/zinc/49/45/63/572494563.db2.gz HKWNHQPKPJCJIP-BDAKNGLRSA-N 0 0 158.241 2.027 10 30 AEEERN C=C(C)c1nnc([C@H](N)[C@H](C)CC)o1 238268931 572494613 /nfs/dbraw/zinc/49/46/13/572494613.db2.gz YXWFGYDEUBCUDW-HTQZYQBOSA-N 0 0 195.266 2.149 10 30 AEEERN CCC[C@@H](C#N)Oc1ccc(O)cc1 238268558 572494688 /nfs/dbraw/zinc/49/46/88/572494688.db2.gz XSGVSPWOEHPHCF-NSHDSACASA-N 0 0 191.230 2.463 10 30 AEEERN CCC[C@H](OCC)[C@@H](C)C=O 238268027 572494855 /nfs/dbraw/zinc/49/48/55/572494855.db2.gz HKWNHQPKPJCJIP-IUCAKERBSA-N 0 0 158.241 2.027 10 30 AEEERN C[C@H]1CC[C@]1(O)C#Cc1ccccc1 307436024 572495001 /nfs/dbraw/zinc/49/50/01/572495001.db2.gz OVAICVCUQGODSQ-AAEUAGOBSA-N 0 0 186.254 2.199 10 30 AEEERN O=CCCCc1ccncc1Cl 84088428 572495305 /nfs/dbraw/zinc/49/53/05/572495305.db2.gz SFDMTFVEYVZDMV-UHFFFAOYSA-N 0 0 183.638 2.257 10 30 AEEERN CC[C@H](C)ON=CC1CC1 307775529 572495407 /nfs/dbraw/zinc/49/54/07/572495407.db2.gz GZUDAXIMFHUYAL-ZETCQYMHSA-N 0 0 141.214 2.197 10 30 AEEERN CCCN[C@H](C#N)CCOC(C)(C)C 62442148 572497806 /nfs/dbraw/zinc/49/78/06/572497806.db2.gz ZFSYCGFKPNMPDN-JTQLQIEISA-N 0 0 198.310 2.083 10 30 AEEERN CC[C@H](C=O)CNc1ccccc1 238271577 572495595 /nfs/dbraw/zinc/49/55/95/572495595.db2.gz KAAHYCBJTXRGLG-JTQLQIEISA-N 0 0 177.247 2.324 10 30 AEEERN CCON=CCCSCC 307775390 572497188 /nfs/dbraw/zinc/49/71/88/572497188.db2.gz GPEKYMSKBFDMRV-UHFFFAOYSA-N 0 0 161.270 2.152 10 30 AEEERN CCO/C(=C/C#C[C@@H](O)CC)C(C)C 238270934 572495780 /nfs/dbraw/zinc/49/57/80/572495780.db2.gz GWJLIHRCNGSEPS-UTEVDWOZSA-N 0 0 196.290 2.337 10 30 AEEERN N#CCc1nc2ccc(F)c(F)c2o1 74247351 572495820 /nfs/dbraw/zinc/49/58/20/572495820.db2.gz MGMFVGASUCZUKP-UHFFFAOYSA-N 0 0 194.140 2.172 10 30 AEEERN CC[C@@H](O)CC[C@@H](C)CCC#N 238270393 572495918 /nfs/dbraw/zinc/49/59/18/572495918.db2.gz LNCLTTYYVWBXOW-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN CCO/C(=C/C#C[C@H](O)CC)C(C)C 238270943 572496004 /nfs/dbraw/zinc/49/60/04/572496004.db2.gz GWJLIHRCNGSEPS-LWMMSDEHSA-N 0 0 196.290 2.337 10 30 AEEERN C=CC[C@@H]1CC[C@H](C)C[C@H]1O 307312211 572496346 /nfs/dbraw/zinc/49/63/46/572496346.db2.gz GLIJEFDZMLGRNB-IVZWLZJFSA-N 0 0 154.253 2.360 10 30 AEEERN N#CCc1nc2c(F)cc(F)cc2o1 74247352 572496386 /nfs/dbraw/zinc/49/63/86/572496386.db2.gz IOAPXQKPVRHGMN-UHFFFAOYSA-N 0 0 194.140 2.172 10 30 AEEERN CCOC(=O)c1ccncc1N=[N+]=[N-] 238270205 572496939 /nfs/dbraw/zinc/49/69/39/572496939.db2.gz UIASQVGGWAACTC-UHFFFAOYSA-N 0 0 192.178 2.200 10 30 AEEERN C=C[C@@H](O)CC(C)(C)C1CC1 405804242 572497008 /nfs/dbraw/zinc/49/70/08/572497008.db2.gz XUZBKIYYIZOUHZ-SECBINFHSA-N 0 0 154.253 2.360 10 30 AEEERN CC#CCC[C@]1(O)CCC[C@@H](OC)C1 234759650 572497356 /nfs/dbraw/zinc/49/73/56/572497356.db2.gz SFUOEFIQQSHNIK-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN C=C1[C@@H]2CC[C@@]3(C)[C@@H](C2)C(=O)[C@@H]13 307336926 572497559 /nfs/dbraw/zinc/49/75/59/572497559.db2.gz FOVNOPYNDNFNMC-LOKLDPHHSA-N 0 0 162.232 2.178 10 30 AEEERN CCCCOCC[C@@H](C#N)NC(C)C 62447917 572497586 /nfs/dbraw/zinc/49/75/86/572497586.db2.gz QMBAMJVXESTJGO-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN C=C(C)CNc1nccnc1C(F)F 307456339 572497723 /nfs/dbraw/zinc/49/77/23/572497723.db2.gz FTLVYFYALKEWNN-UHFFFAOYSA-N 0 0 199.204 2.402 10 30 AEEERN C=CC[C@@H](C[C@H](C)CC)C(N)=O 238271050 572498165 /nfs/dbraw/zinc/49/81/65/572498165.db2.gz NJERQHXNCRTATH-BDAKNGLRSA-N 0 0 169.268 2.100 10 30 AEEERN CO[C@@H]1CCC[C@@](Cl)(C#N)C1 234756160 572498250 /nfs/dbraw/zinc/49/82/50/572498250.db2.gz NKKRJNQQVVIMSJ-SFYZADRCSA-N 0 0 173.643 2.077 10 30 AEEERN O=C(/C=C\Cl)C1CCCC1 207676266 572498478 /nfs/dbraw/zinc/49/84/78/572498478.db2.gz UJXGGAQQLZDTLW-WAYWQWQTSA-N 0 0 158.628 2.498 10 30 AEEERN C#CCCC[C@]1(O)C[C@H](C)[C@@H]1C 307302334 572498513 /nfs/dbraw/zinc/49/85/13/572498513.db2.gz YWXUTQYMAPNYHH-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN CCO/C(=C/C#CC[C@H](C)O)C(C)C 238270920 572498546 /nfs/dbraw/zinc/49/85/46/572498546.db2.gz KQFWHFWVTVYXDP-UTEVDWOZSA-N 0 0 196.290 2.337 10 30 AEEERN CC[C@@H](O)CC[C@H](C)CCC#N 238270610 572498555 /nfs/dbraw/zinc/49/85/55/572498555.db2.gz LNCLTTYYVWBXOW-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN CCON=C(C)[C@H](C)CC 307776094 572498572 /nfs/dbraw/zinc/49/85/72/572498572.db2.gz HKDSQBUFRILIRA-SSDOTTSWSA-N 0 0 143.230 2.445 10 30 AEEERN C=C[C@H](O)CC(C)(C)C1CC1 405804244 572498782 /nfs/dbraw/zinc/49/87/82/572498782.db2.gz XUZBKIYYIZOUHZ-VIFPVBQESA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)[C@H](C)OCCCC#N 87469268 572498971 /nfs/dbraw/zinc/49/89/71/572498971.db2.gz OMUNZQWFBCABOO-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CC[C@@H](C)ON=CC1CC1 307775527 572499014 /nfs/dbraw/zinc/49/90/14/572499014.db2.gz GZUDAXIMFHUYAL-SSDOTTSWSA-N 0 0 141.214 2.197 10 30 AEEERN N#Cc1cnsc1-c1cscn1 74247857 572499201 /nfs/dbraw/zinc/49/92/01/572499201.db2.gz WUPGUVHIXOLFRN-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN N#Cc1cnsc1-c1cncs1 74247858 572499230 /nfs/dbraw/zinc/49/92/30/572499230.db2.gz MBCQFLBQSRKPCB-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN CCCCCOCC[C@@H](C#N)NCC 62447962 572499250 /nfs/dbraw/zinc/49/92/50/572499250.db2.gz SKSXZBRQPMDTIM-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN N#Cc1nc(-c2cccs2)ns1 74247860 572499726 /nfs/dbraw/zinc/49/97/26/572499726.db2.gz YNLGHXZQVUONKM-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN C#C[C@H]1[C@H]2CCCC[C@H]2CC[C@H]1O 307305876 572499775 /nfs/dbraw/zinc/49/97/75/572499775.db2.gz XPDRZHLTTXMQMC-FIQHERPVSA-N 0 0 178.275 2.197 10 30 AEEERN CC#C[C@@H](O)c1coc2ccccc12 307403943 572500123 /nfs/dbraw/zinc/50/01/23/572500123.db2.gz CFHTWKFUSZXQMM-LLVKDONJSA-N 0 0 186.210 2.490 10 30 AEEERN C=C1CCCN(C(=O)CC(C)C)C1 307314976 572500134 /nfs/dbraw/zinc/50/01/34/572500134.db2.gz LTYJHSQDNIYNEL-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCC1(NC(=O)OCC)CC1 238272697 572500229 /nfs/dbraw/zinc/50/02/29/572500229.db2.gz WTOXUZXGDROHSV-UHFFFAOYSA-N 0 0 183.251 2.231 10 30 AEEERN CCN(CCC=O)c1cccc(C)c1 62539117 572502104 /nfs/dbraw/zinc/50/21/04/572502104.db2.gz ITENCFSJSLDWEO-UHFFFAOYSA-N 0 0 191.274 2.410 10 30 AEEERN C=CCONCC(C)(C)C(C)C 713266093 572500526 /nfs/dbraw/zinc/50/05/26/572500526.db2.gz SLYAWTAWHRQZHY-UHFFFAOYSA-N 0 0 171.284 2.376 10 30 AEEERN CCN(CCC=O)c1ccccc1F 62540212 572500629 /nfs/dbraw/zinc/50/06/29/572500629.db2.gz BXTQIEWOPZABRS-UHFFFAOYSA-N 0 0 195.237 2.241 10 30 AEEERN C=C1[C@H]2C(=O)CC[C@H]3CC[C@@H]1[C@@H]23 307478435 572500759 /nfs/dbraw/zinc/50/07/59/572500759.db2.gz NFXUVLOSOPDQJN-IFFSRLJSSA-N 0 0 162.232 2.178 10 30 AEEERN C=CC/C=C(/C)[C@H](O)/C=C/OCC 238271772 572500811 /nfs/dbraw/zinc/50/08/11/572500811.db2.gz FUHBQBRGJASHNM-FJIAKCPFSA-N 0 0 182.263 2.420 10 30 AEEERN CC(C)[C@@H](C)OCCCC#N 87469267 572500932 /nfs/dbraw/zinc/50/09/32/572500932.db2.gz OMUNZQWFBCABOO-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN C#CC(=O)c1cc2ccccc2cn1 307435577 572502987 /nfs/dbraw/zinc/50/29/87/572502987.db2.gz QENIZTBQBJNNNE-UHFFFAOYSA-N 0 0 181.194 2.051 10 30 AEEERN Cc1ccccc1N(C)CCC=O 62540152 572502989 /nfs/dbraw/zinc/50/29/89/572502989.db2.gz XGJHLQMDBHLWJH-UHFFFAOYSA-N 0 0 177.247 2.020 10 30 AEEERN CCCCCCOCCC=O 62544012 572501223 /nfs/dbraw/zinc/50/12/23/572501223.db2.gz QRVMYWGFGITNPH-UHFFFAOYSA-N 0 0 158.241 2.172 10 30 AEEERN CC(C)=CCCC(C)=NN 307778059 572501234 /nfs/dbraw/zinc/50/12/34/572501234.db2.gz IOPTULRFALXIMW-UHFFFAOYSA-N 0 0 140.230 2.067 10 30 AEEERN C=C[C@H](O)[C@H]1CCCC[C@@H]1C 307401891 572503012 /nfs/dbraw/zinc/50/30/12/572503012.db2.gz DOGATLNNLVXMFF-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN CC[C@@H](C#N)NCCc1ccc(C)o1 689734780 572503016 /nfs/dbraw/zinc/50/30/16/572503016.db2.gz RFTYXAFLCQAQPT-JTQLQIEISA-N 0 0 192.262 2.022 10 30 AEEERN CC[C@H](C)SCCC=O 62546660 572501570 /nfs/dbraw/zinc/50/15/70/572501570.db2.gz XZTZVDUXRKDRFO-ZETCQYMHSA-N 0 0 146.255 2.107 10 30 AEEERN C=C[C@H](C)Nc1cc(SC)ncn1 235097590 572501845 /nfs/dbraw/zinc/50/18/45/572501845.db2.gz VBWBJSIFBZIKCX-ZETCQYMHSA-N 0 0 195.291 2.185 10 30 AEEERN O=CCCn1ccc2ccc(F)cc21 62542608 572501942 /nfs/dbraw/zinc/50/19/42/572501942.db2.gz IOKJXQIKJURGQP-UHFFFAOYSA-N 0 0 191.205 2.369 10 30 AEEERN CC[C@@H](C)SCCC=O 62546658 572502058 /nfs/dbraw/zinc/50/20/58/572502058.db2.gz XZTZVDUXRKDRFO-SSDOTTSWSA-N 0 0 146.255 2.107 10 30 AEEERN C=CC[C@H](O)c1cnc(C)cc1C 307356669 572502066 /nfs/dbraw/zinc/50/20/66/572502066.db2.gz ZPISJZUFQLZMQN-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN C=C1C[C@@H]2CCCC[C@@H]2[C@H]1O 307485683 572502080 /nfs/dbraw/zinc/50/20/80/572502080.db2.gz BEYGNECGMVADJU-GUBZILKMSA-N 0 0 152.237 2.114 10 30 AEEERN C=CC/C(C)=C/C[C@@H](C)O 307778864 572502122 /nfs/dbraw/zinc/50/21/22/572502122.db2.gz CKETZGPSLDSFMH-BNICOGTQSA-N 0 0 140.226 2.280 10 30 AEEERN Cc1csc(SCCC=O)n1 62546834 572502170 /nfs/dbraw/zinc/50/21/70/572502170.db2.gz BEGZXRSDBNQXEE-UHFFFAOYSA-N 0 0 187.289 2.133 10 30 AEEERN CC(C)[C@@H](C)OCCC[C@@](C)(N)C#N 87469863 572502177 /nfs/dbraw/zinc/50/21/77/572502177.db2.gz KDNHVVSRXUYUQD-GHMZBOCLSA-N 0 0 198.310 2.069 10 30 AEEERN C#CC[C@H](CC)Nc1nc(C)co1 307453669 572502311 /nfs/dbraw/zinc/50/23/11/572502311.db2.gz VOJMRMUAGDTEQS-VIFPVBQESA-N 0 0 178.235 2.197 10 30 AEEERN CC(C)[C@H](C)OCCC[C@](C)(N)C#N 87469862 572502559 /nfs/dbraw/zinc/50/25/59/572502559.db2.gz KDNHVVSRXUYUQD-QWRGUYRKSA-N 0 0 198.310 2.069 10 30 AEEERN C#CC[C@@H]1CC[C@@H](C)[C@H](C)C1=O 307457551 572502602 /nfs/dbraw/zinc/50/26/02/572502602.db2.gz ZMBUPQZLDJWEDZ-KXUCPTDWSA-N 0 0 164.248 2.261 10 30 AEEERN CC(C)CCCOCCC=O 62543998 572502913 /nfs/dbraw/zinc/50/29/13/572502913.db2.gz GPOAZKJFUBGHEC-UHFFFAOYSA-N 0 0 158.241 2.028 10 30 AEEERN C=CCN(C)c1ccc(C)cc1N 307427856 572503103 /nfs/dbraw/zinc/50/31/03/572503103.db2.gz HCQFFCJLSIBXSM-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN C=C(Cl)CN1C[C@@H](C)[C@H]1C 307410318 572503207 /nfs/dbraw/zinc/50/32/07/572503207.db2.gz IYQKVQJQTATHTF-HTRCEHHLSA-N 0 0 159.660 2.079 10 30 AEEERN CC(C)[C@@H](C)OCCC[C@](C)(N)C#N 87469861 572503409 /nfs/dbraw/zinc/50/34/09/572503409.db2.gz KDNHVVSRXUYUQD-MNOVXSKESA-N 0 0 198.310 2.069 10 30 AEEERN CC#CCCCOC(=O)CCC 308042342 572503437 /nfs/dbraw/zinc/50/34/37/572503437.db2.gz NWOXJMJJXLZIBC-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN C=CCN(C)c1cccc(F)c1 307485806 572504118 /nfs/dbraw/zinc/50/41/18/572504118.db2.gz BJNTYSAYEVHEDE-UHFFFAOYSA-N 0 0 165.211 2.448 10 30 AEEERN CCc1ccc(C[C@@H](C)C=O)cc1O 238273179 572504167 /nfs/dbraw/zinc/50/41/67/572504167.db2.gz UWZBDKIRHIUIDF-SECBINFHSA-N 0 0 192.258 2.332 10 30 AEEERN C=CC[C@H]1CCC[C@H]1OC 307461559 572504180 /nfs/dbraw/zinc/50/41/80/572504180.db2.gz DNRFTANXZRPREZ-DTWKUNHWSA-N 0 0 140.226 2.378 10 30 AEEERN CC#CC(O)(C1CCC1)C1CCC1 307451410 572504246 /nfs/dbraw/zinc/50/42/46/572504246.db2.gz RYLXETSKHZXDDE-UHFFFAOYSA-N 0 0 178.275 2.341 10 30 AEEERN CC(C)[C@H](C)OCCC[C@@](C)(N)C#N 87469864 572504373 /nfs/dbraw/zinc/50/43/73/572504373.db2.gz KDNHVVSRXUYUQD-WDEREUQCSA-N 0 0 198.310 2.069 10 30 AEEERN C=CCc1cocc1C 307400689 572504414 /nfs/dbraw/zinc/50/44/14/572504414.db2.gz AFNGBLGSKULKIL-UHFFFAOYSA-N 0 0 122.167 2.317 10 30 AEEERN C=CCOCc1ccc(OC)cc1 90547726 572504751 /nfs/dbraw/zinc/50/47/51/572504751.db2.gz DYYOPTUSOFCKON-UHFFFAOYSA-N 0 0 178.231 2.398 10 30 AEEERN CC[C@@H](CO)[C@@H](C#N)c1ccccc1 238276237 572504920 /nfs/dbraw/zinc/50/49/20/572504920.db2.gz LGQBXHLMVCULDF-CMPLNLGQSA-N 0 0 189.258 2.312 10 30 AEEERN CC(CCC(C)(C)C)=NN 307782086 572505117 /nfs/dbraw/zinc/50/51/17/572505117.db2.gz LCDDRJGKJVODGR-UHFFFAOYSA-N 0 0 142.246 2.147 10 30 AEEERN C=CCCCCCCS(C)(=O)=O 404440196 572505170 /nfs/dbraw/zinc/50/51/70/572505170.db2.gz JMFJZTGGEWIISH-UHFFFAOYSA-N 0 0 190.308 2.168 10 30 AEEERN CCO[C@@](C)(CC)[C@H](C)C=O 238276322 572505222 /nfs/dbraw/zinc/50/52/22/572505222.db2.gz GZQHOHLCBUIHSB-BDAKNGLRSA-N 0 0 158.241 2.027 10 30 AEEERN CCSC(=O)[C@@H](C)[C@@H](C)CC=O 238276450 572505306 /nfs/dbraw/zinc/50/53/06/572505306.db2.gz DNZATCLTKSVWOV-YUMQZZPRSA-N 0 0 188.292 2.127 10 30 AEEERN CCSC(=O)[C@@H](C)[C@H](C)CC=O 238276483 572506332 /nfs/dbraw/zinc/50/63/32/572506332.db2.gz DNZATCLTKSVWOV-SFYZADRCSA-N 0 0 188.292 2.127 10 30 AEEERN CC[Si](CC)(CC)[C@H](O)CC#N 238275474 572505671 /nfs/dbraw/zinc/50/56/71/572505671.db2.gz OEUZZERLBRCRMW-VIFPVBQESA-N 0 0 185.343 2.309 10 30 AEEERN CC[Si](CC)(CC)[C@H]1O[C@H]1C=O 238275539 572505722 /nfs/dbraw/zinc/50/57/22/572505722.db2.gz JDIXIUIHZFQLFD-DTWKUNHWSA-N 0 0 186.327 2.000 10 30 AEEERN CC[C@](C)(C=O)[C@@](C)(C=O)CC 238275904 572505788 /nfs/dbraw/zinc/50/57/88/572505788.db2.gz KHBYXLVUSCYJDI-NXEZZACHSA-N 0 0 170.252 2.217 10 30 AEEERN C#CCC[C@@]1(O)CC2CCC1CC2 307450752 572505912 /nfs/dbraw/zinc/50/59/12/572505912.db2.gz RQGVIMWLRIUWQO-HTAVTVPLSA-N 0 0 178.275 2.341 10 30 AEEERN O=C(C[C@@H]1CCCOC1)C1=CCCC1 689655241 572506158 /nfs/dbraw/zinc/50/61/58/572506158.db2.gz SBQVUMKFBIPLKG-JTQLQIEISA-N 0 0 194.274 2.483 10 30 AEEERN O=C1CCC2=C1[C@H]1CC[C@@H]2C1 196809829 572506226 /nfs/dbraw/zinc/50/62/26/572506226.db2.gz NRSULAXLJRPAME-RQJHMYQMSA-N 0 0 148.205 2.076 10 30 AEEERN CC#CCC[C@H](O)[C@H]1CCCSC1 307450856 572506320 /nfs/dbraw/zinc/50/63/20/572506320.db2.gz QJLJJONCWRGRLW-QWRGUYRKSA-N 0 0 198.331 2.294 10 30 AEEERN C=CO[C@@H]1C=C(C)[C@H](O)C[C@@H]1C(=C)C 307417637 572506442 /nfs/dbraw/zinc/50/64/42/572506442.db2.gz WPFQFDPPHZNUOU-IJLUTSLNSA-N 0 0 194.274 2.418 10 30 AEEERN C=C/C=C/CC[C@H](O)C(=C)OCC 238275237 572506341 /nfs/dbraw/zinc/50/63/41/572506341.db2.gz XMFWECNGKNJDTM-MLRMMBSGSA-N 0 0 182.263 2.420 10 30 AEEERN CC[C@@H](CO)/N=C(/C)c1ccccc1 238276678 572506348 /nfs/dbraw/zinc/50/63/48/572506348.db2.gz YARSPYLCGVVUAD-IXJPEXDMSA-N 0 0 191.274 2.267 10 30 AEEERN CC#C[C@H](O)c1ccc(F)c(F)c1 307443586 572506359 /nfs/dbraw/zinc/50/63/59/572506359.db2.gz OFFBYHKHWPURBC-JTQLQIEISA-N 0 0 182.169 2.022 10 30 AEEERN C#CCN[C@@H](C#N)CC1CCCCC1 87473617 572506362 /nfs/dbraw/zinc/50/63/62/572506362.db2.gz ROHXUQAPTDPREG-GFCCVEGCSA-N 0 0 190.290 2.072 10 30 AEEERN CC[Si](CC)(CC)[C@@H](O)CC#N 238275329 572506506 /nfs/dbraw/zinc/50/65/06/572506506.db2.gz OEUZZERLBRCRMW-SECBINFHSA-N 0 0 185.343 2.309 10 30 AEEERN CC[Si](CC)(CC)[C@@H]1O[C@@H]1C=O 238275388 572506777 /nfs/dbraw/zinc/50/67/77/572506777.db2.gz JDIXIUIHZFQLFD-BDAKNGLRSA-N 0 0 186.327 2.000 10 30 AEEERN C/C=C/COc1nccc(C)c1C#N 135093698 572506800 /nfs/dbraw/zinc/50/68/00/572506800.db2.gz XOWOZFOAMKSONE-ONEGZZNKSA-N 0 0 188.230 2.217 10 30 AEEERN C=C[C@H](O)[C@@H]1CCCC[C@@H]1C 307401822 572506834 /nfs/dbraw/zinc/50/68/34/572506834.db2.gz DOGATLNNLVXMFF-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN CC[Si](CC)(CC)[C@@H]1O[C@H]1C=O 238275413 572506868 /nfs/dbraw/zinc/50/68/68/572506868.db2.gz JDIXIUIHZFQLFD-IUCAKERBSA-N 0 0 186.327 2.000 10 30 AEEERN C=C(Cl)COCC(F)(F)F 307448275 572506898 /nfs/dbraw/zinc/50/68/98/572506898.db2.gz QGNRWAIMVJDETG-UHFFFAOYSA-N 0 0 174.549 2.318 10 30 AEEERN C=CCC(=CC(C)=O)NC(C)(C)C 308043294 572507031 /nfs/dbraw/zinc/50/70/31/572507031.db2.gz CJJJOUYMUDNTSG-CSKARUKUSA-N 0 0 181.279 2.424 10 30 AEEERN C#CCOc1ccc(N)cc1CC=C 84193341 572508953 /nfs/dbraw/zinc/50/89/53/572508953.db2.gz KPLVGZNDFPUOMW-UHFFFAOYSA-N 0 0 187.242 2.009 10 30 AEEERN O=C1CCC2=C1[C@@H]1CC[C@H]2C1 196809836 572507385 /nfs/dbraw/zinc/50/73/85/572507385.db2.gz NRSULAXLJRPAME-NKWVEPMBSA-N 0 0 148.205 2.076 10 30 AEEERN C=CCc1cc(N)ccc1OCC 84193331 572507421 /nfs/dbraw/zinc/50/74/21/572507421.db2.gz HMZSLGTUUFJKAH-UHFFFAOYSA-N 0 0 177.247 2.396 10 30 AEEERN CC[C@](C)(C=O)N(O)c1ccccc1 238275821 572507453 /nfs/dbraw/zinc/50/74/53/572507453.db2.gz MVOGGIOZNHQIQZ-LLVKDONJSA-N 0 0 193.246 2.250 10 30 AEEERN CCc1ccc(C[C@H](C)C=O)cc1N 238273643 572507610 /nfs/dbraw/zinc/50/76/10/572507610.db2.gz QGSPAKXZBCDWAW-VIFPVBQESA-N 0 0 191.274 2.209 10 30 AEEERN O=CC=CCC(=O)c1ccccc1 308043624 572507617 /nfs/dbraw/zinc/50/76/17/572507617.db2.gz DGKNNBCUICHSQO-YWEYNIOJSA-N 0 0 174.199 2.015 10 30 AEEERN CCO[C@@](C)(CC)[C@@H](C)C=O 238276291 572507681 /nfs/dbraw/zinc/50/76/81/572507681.db2.gz GZQHOHLCBUIHSB-IUCAKERBSA-N 0 0 158.241 2.027 10 30 AEEERN C#C[C@](C)(CC)CCCCO 238276762 572507737 /nfs/dbraw/zinc/50/77/37/572507737.db2.gz BVKLKGWYBAUTSY-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN C=CC/C=C/CC[C@@H](O)CCC=O 308044100 572507798 /nfs/dbraw/zinc/50/77/98/572507798.db2.gz DNQINVUYJJQWMQ-SGUJLRQBSA-N 0 0 182.263 2.239 10 30 AEEERN O=C(C[C@H]1CCCOC1)C1=CCCC1 689655243 572507812 /nfs/dbraw/zinc/50/78/12/572507812.db2.gz SBQVUMKFBIPLKG-SNVBAGLBSA-N 0 0 194.274 2.483 10 30 AEEERN CCSC(=O)[C@H](C)[C@@H](C)CC=O 238276902 572507843 /nfs/dbraw/zinc/50/78/43/572507843.db2.gz DNZATCLTKSVWOV-JGVFFNPUSA-N 0 0 188.292 2.127 10 30 AEEERN CC[C@@H](CO)[C@H](C#N)c1ccccc1 238276440 572507872 /nfs/dbraw/zinc/50/78/72/572507872.db2.gz LGQBXHLMVCULDF-JQWIXIFHSA-N 0 0 189.258 2.312 10 30 AEEERN CCC(=O)/C=C/C=C/[C@H](C)[C@H](O)CC 238273738 572507898 /nfs/dbraw/zinc/50/78/98/572507898.db2.gz ZRSXBEYTFQCFGN-MQBRMBIHSA-N 0 0 196.290 2.485 10 30 AEEERN CCc1ccc(C[C@H](C)C=O)cc1O 238273658 572508048 /nfs/dbraw/zinc/50/80/48/572508048.db2.gz UWZBDKIRHIUIDF-VIFPVBQESA-N 0 0 192.258 2.332 10 30 AEEERN C#CCNc1cccc(F)c1C(C)=O 307409879 572508156 /nfs/dbraw/zinc/50/81/56/572508156.db2.gz FYXKERHTRZCWPL-UHFFFAOYSA-N 0 0 191.205 2.073 10 30 AEEERN C#CCN[C@H](C#N)CC1CCCCC1 87473616 572508340 /nfs/dbraw/zinc/50/83/40/572508340.db2.gz ROHXUQAPTDPREG-LBPRGKRZSA-N 0 0 190.290 2.072 10 30 AEEERN C=CC/C=C/C/C=C\CO 307782921 572508711 /nfs/dbraw/zinc/50/87/11/572508711.db2.gz DSRNDZSEGPOCME-HTKRNXBHSA-N 0 0 138.210 2.057 10 30 AEEERN C#CC[C@@H]1CC[C@H](C)[C@H](C)C1=O 307457552 572508864 /nfs/dbraw/zinc/50/88/64/572508864.db2.gz ZMBUPQZLDJWEDZ-LPEHRKFASA-N 0 0 164.248 2.261 10 30 AEEERN C=CCCCNC(=O)/C=C\CC 308044224 572508938 /nfs/dbraw/zinc/50/89/38/572508938.db2.gz OQSGSARSPRPMBK-VURMDHGXSA-N 0 0 167.252 2.035 10 30 AEEERN CCOC(=O)N[C@@H](C)CC[C@@H](C)C#N 238278713 572508944 /nfs/dbraw/zinc/50/89/44/572508944.db2.gz KFKHJAVJPDQNQF-BDAKNGLRSA-N 0 0 198.266 2.061 10 30 AEEERN CCO[C@H](C(C)C)C(C)(C)C=O 238279029 572508982 /nfs/dbraw/zinc/50/89/82/572508982.db2.gz SLHAJUODUAUWBW-SECBINFHSA-N 0 0 172.268 2.273 10 30 AEEERN C=CCNC(=O)C(C)=C1CCCC1 307457262 572509047 /nfs/dbraw/zinc/50/90/47/572509047.db2.gz FLBGELRSRIHRRU-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN C=CC/C=C/CC[C@H](O)CCC=O 308044102 572509061 /nfs/dbraw/zinc/50/90/61/572509061.db2.gz DNQINVUYJJQWMQ-ZWNMCFTASA-N 0 0 182.263 2.239 10 30 AEEERN C#CC[C@@H](CC)Nc1nc(C)co1 307453668 572509127 /nfs/dbraw/zinc/50/91/27/572509127.db2.gz VOJMRMUAGDTEQS-SECBINFHSA-N 0 0 178.235 2.197 10 30 AEEERN C=C[C@H](O)C/C=C(/CC)[C@@H](C)OC 238278465 572509565 /nfs/dbraw/zinc/50/95/65/572509565.db2.gz COFKHRJAQZXNQF-UEQOSDTHSA-N 0 0 184.279 2.295 10 30 AEEERN C=CC/C=C\C/C=C\CO 307782923 572509570 /nfs/dbraw/zinc/50/95/70/572509570.db2.gz DSRNDZSEGPOCME-UTOQUPLUSA-N 0 0 138.210 2.057 10 30 AEEERN C=C(COC)[C@]1(O)C[C@H](C)CC[C@H]1C 307405374 572509666 /nfs/dbraw/zinc/50/96/66/572509666.db2.gz FAJSKDUQYXADJN-FOGDFJRCSA-N 0 0 198.306 2.376 10 30 AEEERN C[C@@H]1CC[C@@]1(O)C#Cc1ccccc1 307436034 572509754 /nfs/dbraw/zinc/50/97/54/572509754.db2.gz OVAICVCUQGODSQ-DGCLKSJQSA-N 0 0 186.254 2.199 10 30 AEEERN C=CCC[C@H](C)NC(=O)OCC 238278650 572509779 /nfs/dbraw/zinc/50/97/79/572509779.db2.gz AKKKOTNMUZWCRE-QMMMGPOBSA-N 0 0 171.240 2.087 10 30 AEEERN Cc1nsc(C(F)(F)F)c1C#N 74271098 572509880 /nfs/dbraw/zinc/50/98/80/572509880.db2.gz CQLANDUEGOCVDD-UHFFFAOYSA-N 0 0 192.165 2.342 10 30 AEEERN CCOC(=O)c1csc(N=[N+]=[N-])n1 238277355 572509893 /nfs/dbraw/zinc/50/98/93/572509893.db2.gz RQBLJKKTIZWCAR-UHFFFAOYSA-N 0 0 198.207 2.262 10 30 AEEERN C=C[C@@H](C)Nc1cc(SC)ncn1 235101047 572510016 /nfs/dbraw/zinc/51/00/16/572510016.db2.gz VBWBJSIFBZIKCX-SSDOTTSWSA-N 0 0 195.291 2.185 10 30 AEEERN C=C(C)[C@H](CC)NC(=O)OCC 238279137 572510056 /nfs/dbraw/zinc/51/00/56/572510056.db2.gz FSMKKVYDWLTAMU-QMMMGPOBSA-N 0 0 171.240 2.087 10 30 AEEERN CCCC1=CC(=O)[C@H](CCC)O1 238279026 572510110 /nfs/dbraw/zinc/51/01/10/572510110.db2.gz SMMXDNQTNPWMSO-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN C#CCN(CC)c1ccc(N)c(C)c1 307497069 572510166 /nfs/dbraw/zinc/51/01/66/572510166.db2.gz DBJCGMOGNDLGPN-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN CCn1ccc(C#Cc2ccccc2)n1 238278253 572510212 /nfs/dbraw/zinc/51/02/12/572510212.db2.gz PSCQPPYEIZTZGP-UHFFFAOYSA-N 0 0 196.253 2.303 10 30 AEEERN C=C[C@H](O)C/C=C(/CC)[C@H](C)OC 238278475 572510293 /nfs/dbraw/zinc/51/02/93/572510293.db2.gz COFKHRJAQZXNQF-YHQIDKOESA-N 0 0 184.279 2.295 10 30 AEEERN C=CC/C=C\C/C=C/CO 307782922 572510323 /nfs/dbraw/zinc/51/03/23/572510323.db2.gz DSRNDZSEGPOCME-KXKKYDSASA-N 0 0 138.210 2.057 10 30 AEEERN C=CCC[C@@H](CO)CC=C 196491455 572510334 /nfs/dbraw/zinc/51/03/34/572510334.db2.gz SLTWYFVSGSEZMJ-VIFPVBQESA-N 0 0 140.226 2.137 10 30 AEEERN Cc1ccc(F)c([C@H](O)[C@@H](C)C#N)c1 235104379 572510510 /nfs/dbraw/zinc/51/05/10/572510510.db2.gz SXKWPAFEUOLWAZ-GZMMTYOYSA-N 0 0 193.221 2.327 10 30 AEEERN CCSC(=O)[C@H](C)[C@H](C)CC=O 238276925 572510564 /nfs/dbraw/zinc/51/05/64/572510564.db2.gz DNZATCLTKSVWOV-HTQZYQBOSA-N 0 0 188.292 2.127 10 30 AEEERN CCc1nn(CC#N)c2ccsc12 74272185 572510575 /nfs/dbraw/zinc/51/05/75/572510575.db2.gz LMBYUTAPZYCCNG-UHFFFAOYSA-N 0 0 191.259 2.184 10 30 AEEERN C=CC[C@@H](O)CC[C@H](C)C#CC 308045794 572510668 /nfs/dbraw/zinc/51/06/68/572510668.db2.gz PJHYOLVKVYATLD-GHMZBOCLSA-N 0 0 166.264 2.363 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1cc(F)cc(F)c1 235104539 572510984 /nfs/dbraw/zinc/51/09/84/572510984.db2.gz GRCQACACUYOINA-QUBYGPBYSA-N 0 0 197.184 2.158 10 30 AEEERN C=CCC[C@H](CO)CC=C 196491445 572511172 /nfs/dbraw/zinc/51/11/72/572511172.db2.gz SLTWYFVSGSEZMJ-SECBINFHSA-N 0 0 140.226 2.137 10 30 AEEERN C=C(Br)CN(C)C(C)C 307462241 572511234 /nfs/dbraw/zinc/51/12/34/572511234.db2.gz BOOBRLUFYRFSSF-UHFFFAOYSA-N 0 0 192.100 2.235 10 30 AEEERN Cc1ccc(F)cc1[C@@H](O)[C@@H](C)C#N 235105824 572513012 /nfs/dbraw/zinc/51/30/12/572513012.db2.gz JCKMDQBCCHBVBW-KWQFWETISA-N 0 0 193.221 2.327 10 30 AEEERN CCC=C1C(=O)CC(C)(C)CC1=O 62719081 572511263 /nfs/dbraw/zinc/51/12/63/572511263.db2.gz RZNWJWNBWVCZFU-UHFFFAOYSA-N 0 0 180.247 2.281 10 30 AEEERN CCOC(=O)N[C@@H](C)CC[C@H](C)C#N 238278730 572511270 /nfs/dbraw/zinc/51/12/70/572511270.db2.gz KFKHJAVJPDQNQF-IUCAKERBSA-N 0 0 198.266 2.061 10 30 AEEERN CCC[C@@H]1O[C@H]1C(=O)CC(C)C 238280075 572511463 /nfs/dbraw/zinc/51/14/63/572511463.db2.gz VJGHGELHJYTNKA-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@H](O)CC#CC[Si](C)(C)C 196492144 572511580 /nfs/dbraw/zinc/51/15/80/572511580.db2.gz WVZYUTCJHUMXLP-SECBINFHSA-N 0 0 170.328 2.099 10 30 AEEERN CCOc1cc(F)ccc1/C(C)=N/O 62748580 572511675 /nfs/dbraw/zinc/51/16/75/572511675.db2.gz TTZVZHYKTROFRB-KPKJPENVSA-N 0 0 197.209 2.423 10 30 AEEERN C#C[C@H](O)[C@@H](CC)/C(C)=C/C=C 238278401 572511729 /nfs/dbraw/zinc/51/17/29/572511729.db2.gz SIYJUNCOTLRQCJ-WRSFFWLLSA-N 0 0 164.248 2.139 10 30 AEEERN C=C[C@@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC 307457469 572511814 /nfs/dbraw/zinc/51/18/14/572511814.db2.gz ZLBSONTXLKHDJP-SCVCMEIPSA-N 0 0 198.306 2.375 10 30 AEEERN C=C(C)C[C@]1(C)C(=O)CCCC[C@H]1O 307499669 572511840 /nfs/dbraw/zinc/51/18/40/572511840.db2.gz LFUSINJWPQZUAX-PWSUYJOCSA-N 0 0 196.290 2.463 10 30 AEEERN C=CC(C)(C)[C@@]1(C)C[C@H]1CO 307409871 572511918 /nfs/dbraw/zinc/51/19/18/572511918.db2.gz OGGIPBMIFIVLAY-WPRPVWTQSA-N 0 0 154.253 2.217 10 30 AEEERN C=CC[C@@H](O)CC[C@@H](C)C#CC 308045796 572511970 /nfs/dbraw/zinc/51/19/70/572511970.db2.gz PJHYOLVKVYATLD-WDEREUQCSA-N 0 0 166.264 2.363 10 30 AEEERN C#C[C@@](O)(CCC)[C@H]1CC1(C)C 307466920 572512073 /nfs/dbraw/zinc/51/20/73/572512073.db2.gz KEEAEELVSIOPDK-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN CCOc1cccc2c1CC/C2=N\O 62800244 572514312 /nfs/dbraw/zinc/51/43/12/572514312.db2.gz IQXCQXLKKDEKQW-ZRDIBKRKSA-N 0 0 191.230 2.210 10 30 AEEERN CCC[C@@H]1O[C@@H]1[C@@H](O)c1ccccc1 238279806 572512242 /nfs/dbraw/zinc/51/22/42/572512242.db2.gz LHJZLWKNQVWVMJ-SRVKXCTJSA-N 0 0 192.258 2.288 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1cc(F)cc(F)c1 235105764 572512280 /nfs/dbraw/zinc/51/22/80/572512280.db2.gz GRCQACACUYOINA-WKEGUHRASA-N 0 0 197.184 2.158 10 30 AEEERN C=C1C[C@H](O)[C@@H]2CCCC[C@@H]12 307412213 572512388 /nfs/dbraw/zinc/51/23/88/572512388.db2.gz HVAODPYSADOOGB-AEJSXWLSSA-N 0 0 152.237 2.114 10 30 AEEERN C=CC(=C)CCCCC=O 196493518 572512423 /nfs/dbraw/zinc/51/24/23/572512423.db2.gz IGXVYZWYODCEBF-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN CC[C@@H](C)C(C)=NNCC1CC1 308046261 572512438 /nfs/dbraw/zinc/51/24/38/572512438.db2.gz PNMBIOXMXPZPCF-MRVPVSSYSA-N 0 0 168.284 2.408 10 30 AEEERN C=CCN(C)c1cc(C)c(N)cc1F 307491942 572512455 /nfs/dbraw/zinc/51/24/55/572512455.db2.gz YUKYNQROWVCZAX-UHFFFAOYSA-N 0 0 194.253 2.339 10 30 AEEERN C=C[C@H](C)[C@@H]1C=CC[C@H](CO)C1 307445674 572512476 /nfs/dbraw/zinc/51/24/76/572512476.db2.gz CRGJEBMDIXJZGK-GARJFASQSA-N 0 0 166.264 2.383 10 30 AEEERN O=CCSCC1CCCC1 62836422 572512507 /nfs/dbraw/zinc/51/25/07/572512507.db2.gz XFORDTOSMNACOU-UHFFFAOYSA-N 0 0 158.266 2.109 10 30 AEEERN CC[C@H](C)C(C)=NNCC1CC1 308046262 572512557 /nfs/dbraw/zinc/51/25/57/572512557.db2.gz PNMBIOXMXPZPCF-QMMMGPOBSA-N 0 0 168.284 2.408 10 30 AEEERN C#C[C@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1O 307436591 572512566 /nfs/dbraw/zinc/51/25/66/572512566.db2.gz LHWLUBPMYHDANV-WHOHXGKFSA-N 0 0 178.275 2.197 10 30 AEEERN C=C(C)[C@H](O)c1ccnn1C(C)C 307470950 572512588 /nfs/dbraw/zinc/51/25/88/572512588.db2.gz WHLUBQVZCGBXHZ-JTQLQIEISA-N 0 0 180.251 2.074 10 30 AEEERN O=CCCSC1CCCC1 62830048 572512742 /nfs/dbraw/zinc/51/27/42/572512742.db2.gz BRROTTVJMUDZOL-UHFFFAOYSA-N 0 0 158.266 2.251 10 30 AEEERN C=C(C)CCNc1ncnc(C)c1F 307451353 572512756 /nfs/dbraw/zinc/51/27/56/572512756.db2.gz SCXGGKVGZLXOIE-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN C=CCC[C@H](CC)NC(=O)OCC 238279201 572512888 /nfs/dbraw/zinc/51/28/88/572512888.db2.gz SXDLBMKLDWVHGM-VIFPVBQESA-N 0 0 185.267 2.477 10 30 AEEERN C=CO[C@@H]1C=C(C)[C@H](O)C[C@H]1C(=C)C 307417638 572513203 /nfs/dbraw/zinc/51/32/03/572513203.db2.gz WPFQFDPPHZNUOU-QJPTWQEYSA-N 0 0 194.274 2.418 10 30 AEEERN C=C[C@@]1(C)C(=O)[C@H]2CCC[C@H]21 307404338 572513216 /nfs/dbraw/zinc/51/32/16/572513216.db2.gz CMBKVUHAJJYAQZ-QXFUBDJGSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)[C@@H]1[C@H](C)C[C@H](O)[C@@H]1C 307485729 572513385 /nfs/dbraw/zinc/51/33/85/572513385.db2.gz BHJBPYIHKGEUBR-XFWSIPNHSA-N 0 0 154.253 2.216 10 30 AEEERN Cc1cc(F)c(C#CCCO)cc1C 307477186 572513485 /nfs/dbraw/zinc/51/34/85/572513485.db2.gz MBZCNDQVICFTRW-UHFFFAOYSA-N 0 0 192.233 2.176 10 30 AEEERN C=C(C)[C@H](NN)[C@@H]1CCCC[C@@H]1C 307403730 572513370 /nfs/dbraw/zinc/51/33/70/572513370.db2.gz AVLFCMXOUHSXOE-AXFHLTTASA-N 0 0 182.311 2.221 10 30 AEEERN Cc1ccc(F)c([C@@H](O)[C@@H](C)C#N)c1 235105654 572513372 /nfs/dbraw/zinc/51/33/72/572513372.db2.gz SXKWPAFEUOLWAZ-KWQFWETISA-N 0 0 193.221 2.327 10 30 AEEERN CC(C)(C)C#Cc1ccc(CO)o1 221806086 572513551 /nfs/dbraw/zinc/51/35/51/572513551.db2.gz OOELAIDYWUFZAH-UHFFFAOYSA-N 0 0 178.231 2.170 10 30 AEEERN C[C@H](O)CC#CC[Si](C)(C)C 196492138 572513575 /nfs/dbraw/zinc/51/35/75/572513575.db2.gz WVZYUTCJHUMXLP-VIFPVBQESA-N 0 0 170.328 2.099 10 30 AEEERN C=C[C@@H](C)c1ccnc(Cl)n1 307493708 572513671 /nfs/dbraw/zinc/51/36/71/572513671.db2.gz LDFOTVXUPZUOJR-ZCFIWIBFSA-N 0 0 168.627 2.420 10 30 AEEERN CCOC(=O)N[C@@H](CC)CCCC#N 238279217 572513715 /nfs/dbraw/zinc/51/37/15/572513715.db2.gz WLVAFKKKTGYIOC-VIFPVBQESA-N 0 0 198.266 2.205 10 30 AEEERN C=CCSc1ccnc(C)n1 307448704 572513755 /nfs/dbraw/zinc/51/37/55/572513755.db2.gz MGSXSONLEHSJTF-UHFFFAOYSA-N 0 0 166.249 2.063 10 30 AEEERN C=CC[C@H](O)CC[C@@H](C)C#CC 308045795 572513790 /nfs/dbraw/zinc/51/37/90/572513790.db2.gz PJHYOLVKVYATLD-QWRGUYRKSA-N 0 0 166.264 2.363 10 30 AEEERN CCC[C@@H]1O[C@H]1[C@@H](O)c1ccccc1 238280251 572515629 /nfs/dbraw/zinc/51/56/29/572515629.db2.gz LHJZLWKNQVWVMJ-SDDRHHMPSA-N 0 0 192.258 2.288 10 30 AEEERN CC#CCC[C@@H](O)[C@@H]1CCCSC1 307450854 572514305 /nfs/dbraw/zinc/51/43/05/572514305.db2.gz QJLJJONCWRGRLW-GHMZBOCLSA-N 0 0 198.331 2.294 10 30 AEEERN C1CCC(CSC[C@H]2CO2)C1 62836181 572514335 /nfs/dbraw/zinc/51/43/35/572514335.db2.gz RAABLJXYXVMACB-SECBINFHSA-N 0 0 172.293 2.309 10 30 AEEERN C=CCC[C@H](C)OC(=O)C1CC1 308051637 572514627 /nfs/dbraw/zinc/51/46/27/572514627.db2.gz SGADXRKJGPXBPN-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN Cc1ccc(F)cc1[C@H](O)[C@@H](C)C#N 235104636 572514649 /nfs/dbraw/zinc/51/46/49/572514649.db2.gz JCKMDQBCCHBVBW-GZMMTYOYSA-N 0 0 193.221 2.327 10 30 AEEERN CCC[C@@H]1O[C@H]1[C@@H](C)CC(C)=O 238280219 572514784 /nfs/dbraw/zinc/51/47/84/572514784.db2.gz GGTJSTQPTSNXRC-HGNGGELXSA-N 0 0 170.252 2.169 10 30 AEEERN C=CC[C@H](C)[C@@H](C)N1CC(F)C1 308051248 572514795 /nfs/dbraw/zinc/51/47/95/572514795.db2.gz SCPPCLSWWXJPDL-DTWKUNHWSA-N 0 0 171.259 2.241 10 30 AEEERN C=CC[C@@H](C)[C@@H](C)N1CC(F)C1 308051259 572514817 /nfs/dbraw/zinc/51/48/17/572514817.db2.gz SCPPCLSWWXJPDL-RKDXNWHRSA-N 0 0 171.259 2.241 10 30 AEEERN C=CCC[C@@H](C=C)NC(=O)OCC 238279470 572514828 /nfs/dbraw/zinc/51/48/28/572514828.db2.gz YWVGQEASRFLOFJ-SECBINFHSA-N 0 0 183.251 2.253 10 30 AEEERN C=CCC[C@@H](C)OC(=O)C1CC1 308051636 572514854 /nfs/dbraw/zinc/51/48/54/572514854.db2.gz SGADXRKJGPXBPN-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C#C[C@@](O)(CCC)[C@@H]1CC1(C)C 307466932 572514915 /nfs/dbraw/zinc/51/49/15/572514915.db2.gz KEEAEELVSIOPDK-MWLCHTKSSA-N 0 0 166.264 2.197 10 30 AEEERN CCON=C(C)C=C(C)C 307783051 572514961 /nfs/dbraw/zinc/51/49/61/572514961.db2.gz LKCIEPVYJASXJH-UHFFFAOYSA-N 0 0 141.214 2.365 10 30 AEEERN C=CC[C@@H](C)[C@H](C)N1CC(F)C1 308051241 572515025 /nfs/dbraw/zinc/51/50/25/572515025.db2.gz SCPPCLSWWXJPDL-BDAKNGLRSA-N 0 0 171.259 2.241 10 30 AEEERN C=CCc1noc(/C(C)=C\C)n1 307490924 572515138 /nfs/dbraw/zinc/51/51/38/572515138.db2.gz GBWNUVOIYKYYSQ-ALCCZGGFSA-N 0 0 164.208 2.221 10 30 AEEERN C=C=CCC[C@@H]1C=CC(=O)C1 196494472 572515240 /nfs/dbraw/zinc/51/52/40/572515240.db2.gz SVRMINIMHNRWKO-SECBINFHSA-N 0 0 148.205 2.253 10 30 AEEERN C#C[C@@H]1CCC[C@H]2CCC(=O)C[C@@H]21 196494419 572515263 /nfs/dbraw/zinc/51/52/63/572515263.db2.gz WGBYNSGHOFPTJR-JFGNBEQYSA-N 0 0 176.259 2.405 10 30 AEEERN CCC[C@@H]1O[C@@H]1C(=O)CC(C)C 238279630 572515429 /nfs/dbraw/zinc/51/54/29/572515429.db2.gz VJGHGELHJYTNKA-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN CCC[C@@H]1O[C@@H]1[C@@H](C)CC(C)=O 238279772 572515446 /nfs/dbraw/zinc/51/54/46/572515446.db2.gz GGTJSTQPTSNXRC-UJNFCWOMSA-N 0 0 170.252 2.169 10 30 AEEERN C1CCC(CSC[C@@H]2CO2)C1 62836180 572515657 /nfs/dbraw/zinc/51/56/57/572515657.db2.gz RAABLJXYXVMACB-VIFPVBQESA-N 0 0 172.293 2.309 10 30 AEEERN C=C=CCC[C@H]1C=CC(=O)C1 196494462 572515719 /nfs/dbraw/zinc/51/57/19/572515719.db2.gz SVRMINIMHNRWKO-VIFPVBQESA-N 0 0 148.205 2.253 10 30 AEEERN ON=CC1C(=S)Nc2ccccc21 308051808 572515783 /nfs/dbraw/zinc/51/57/83/572515783.db2.gz LVKUVJAYFKYVJM-UHFFFAOYSA-N 0 0 192.243 2.265 10 30 AEEERN C=C(C)Cn1ncc2c1CCCC2 307460398 572515928 /nfs/dbraw/zinc/51/59/28/572515928.db2.gz DXMKFZBDMZGJTI-UHFFFAOYSA-N 0 0 176.263 2.338 10 30 AEEERN C#CCOC(=O)C1(C)CCCCC1 307459555 572516003 /nfs/dbraw/zinc/51/60/03/572516003.db2.gz AUBGSLLJPFZNGU-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN C#C[C@](C)(CC)Nc1ccc(F)cn1 307413514 572516081 /nfs/dbraw/zinc/51/60/81/572516081.db2.gz HGIOBLRYFWQUJZ-LLVKDONJSA-N 0 0 192.237 2.435 10 30 AEEERN CCC(C)(C)C=NNCC1CC1 308046964 572516207 /nfs/dbraw/zinc/51/62/07/572516207.db2.gz PWTLLGPKUQRGAG-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN CCn1c(CC(C)C)nc(C)c1C#N 74271618 572516256 /nfs/dbraw/zinc/51/62/56/572516256.db2.gz PSJJCTZZPZNWBW-UHFFFAOYSA-N 0 0 191.278 2.282 10 30 AEEERN CCC[C@@H]1[C@H](CC)[C@@H](O)[C@@]1(C=O)CC 238283031 572516727 /nfs/dbraw/zinc/51/67/27/572516727.db2.gz OVBNNLGNASMPRH-IRCOFANPSA-N 0 0 198.306 2.399 10 30 AEEERN C=C(C)c1c(C)cncc1C#N 307451777 572516483 /nfs/dbraw/zinc/51/64/83/572516483.db2.gz SZEPXRVZLASDSP-UHFFFAOYSA-N 0 0 158.204 2.295 10 30 AEEERN C=CCCOC/C=C(\CC)C(=O)OC 84202800 572516583 /nfs/dbraw/zinc/51/65/83/572516583.db2.gz OHPUIJHVMSHECR-JXMROGBWSA-N 0 0 198.262 2.089 10 30 AEEERN C=CO[C@@H]1C=C(C)[C@@H](O)C[C@H]1C(=C)C 307417639 572516597 /nfs/dbraw/zinc/51/65/97/572516597.db2.gz WPFQFDPPHZNUOU-SDDRHHMPSA-N 0 0 194.274 2.418 10 30 AEEERN C=C[C@H](C)c1ccnc(Cl)n1 307493707 572516683 /nfs/dbraw/zinc/51/66/83/572516683.db2.gz LDFOTVXUPZUOJR-LURJTMIESA-N 0 0 168.627 2.420 10 30 AEEERN C=CCSc1ccc(C#N)c(N)c1 307413594 572516716 /nfs/dbraw/zinc/51/67/16/572516716.db2.gz IPDMSXZFOCULLY-UHFFFAOYSA-N 0 0 190.271 2.419 10 30 AEEERN C#CC[N@H+]1CCC[C@@H]1CC(F)(F)F 307405754 572516721 /nfs/dbraw/zinc/51/67/21/572516721.db2.gz CWRHNTAICYVRTM-MRVPVSSYSA-N 0 0 191.196 2.036 10 30 AEEERN C=CC[C@H](C)[C@H](C)N1CC(F)C1 308051256 572516918 /nfs/dbraw/zinc/51/69/18/572516918.db2.gz SCPPCLSWWXJPDL-IUCAKERBSA-N 0 0 171.259 2.241 10 30 AEEERN CN1CCc2c1csc2CCC#N 74268548 572517005 /nfs/dbraw/zinc/51/70/05/572517005.db2.gz YMJPQGRJLDTKDF-UHFFFAOYSA-N 0 0 192.287 2.197 10 30 AEEERN C=CCCOc1ccc(O)cc1 70592903 572517058 /nfs/dbraw/zinc/51/70/58/572517058.db2.gz BKQYNWJOMDZBMG-UHFFFAOYSA-N 0 0 164.204 2.347 10 30 AEEERN C=C(C)CCNc1cccnc1N 307477947 572517498 /nfs/dbraw/zinc/51/74/98/572517498.db2.gz MNPHIOGRMKRSQM-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN C=CC[C@@H](O)c1cc(C)ns1 307403953 572517570 /nfs/dbraw/zinc/51/75/70/572517570.db2.gz CGQKYOJUMSFHLU-SSDOTTSWSA-N 0 0 169.249 2.061 10 30 AEEERN C=C(C)CNC(=O)C1=C(Cl)CCC1 307418602 572517631 /nfs/dbraw/zinc/51/76/31/572517631.db2.gz KSDPUGPUVLCGBR-UHFFFAOYSA-N 0 0 199.681 2.356 10 30 AEEERN C#CCCCC1(O)CC(C)(C)C1 307433975 572517994 /nfs/dbraw/zinc/51/79/94/572517994.db2.gz LLNNZHRWGNIPAO-UHFFFAOYSA-N 0 0 166.264 2.341 10 30 AEEERN C[C@H](C=NO)N(C)Cc1cccs1 714473457 572519074 /nfs/dbraw/zinc/51/90/74/572519074.db2.gz QVFAKDNXGRJBDO-MRVPVSSYSA-N 0 0 198.291 2.028 10 30 AEEERN CCN(CC(C)(C)C)[C@@H](C)C#N 308051064 572519376 /nfs/dbraw/zinc/51/93/76/572519376.db2.gz SAKIRYJUDZRJLY-VIFPVBQESA-N 0 0 168.284 2.266 10 30 AEEERN C#Cc1cccc(F)c1C[NH2+]C(C)C 307483086 572519745 /nfs/dbraw/zinc/51/97/45/572519745.db2.gz SHMIRZVAYOWKSB-UHFFFAOYSA-N 0 0 191.249 2.305 10 30 AEEERN C#CCCC[C@@]1(O)CCC[C@H](OC)C1 234772627 572519547 /nfs/dbraw/zinc/51/95/47/572519547.db2.gz YBRSPHLAHLNLJH-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN CCN(CC(C)(C)C)[C@H](C)C#N 308051061 572519634 /nfs/dbraw/zinc/51/96/34/572519634.db2.gz SAKIRYJUDZRJLY-SECBINFHSA-N 0 0 168.284 2.266 10 30 AEEERN C=CC[C@H]1CCC[C@@H]1OC 307461571 572519930 /nfs/dbraw/zinc/51/99/30/572519930.db2.gz DNRFTANXZRPREZ-IUCAKERBSA-N 0 0 140.226 2.378 10 30 AEEERN C=C(C)[C@@H](CC)NC(=O)OCC 238284523 572520295 /nfs/dbraw/zinc/52/02/95/572520295.db2.gz FSMKKVYDWLTAMU-MRVPVSSYSA-N 0 0 171.240 2.087 10 30 AEEERN C=C(Cl)CN(C)CCOC(C)C 308050136 572520301 /nfs/dbraw/zinc/52/03/01/572520301.db2.gz RRYQFCNBLZSOOG-UHFFFAOYSA-N 0 0 191.702 2.096 10 30 AEEERN C=CCN[C@H]1CCCCC1(F)F 307474866 572520311 /nfs/dbraw/zinc/52/03/11/572520311.db2.gz XHZLSSIVIRMMPG-QMMMGPOBSA-N 0 0 175.222 2.340 10 30 AEEERN C[C@@H](C=NO)N(C)Cc1cccs1 714473460 572520351 /nfs/dbraw/zinc/52/03/51/572520351.db2.gz QVFAKDNXGRJBDO-QMMMGPOBSA-N 0 0 198.291 2.028 10 30 AEEERN C=C(C)[C@@H]1[C@H](C)C[C@@H](O)[C@@H]1C 307485728 572520447 /nfs/dbraw/zinc/52/04/47/572520447.db2.gz BHJBPYIHKGEUBR-UTINFBMNSA-N 0 0 154.253 2.216 10 30 AEEERN C=CCC[C@H](C=C)NC(=O)OCC 238284768 572520515 /nfs/dbraw/zinc/52/05/15/572520515.db2.gz YWVGQEASRFLOFJ-VIFPVBQESA-N 0 0 183.251 2.253 10 30 AEEERN CCOC(=O)N[C@H](CC)CCCC#N 238284586 572520605 /nfs/dbraw/zinc/52/06/05/572520605.db2.gz WLVAFKKKTGYIOC-SECBINFHSA-N 0 0 198.266 2.205 10 30 AEEERN C[C@@H](C#N)c1cnc(C(C)(C)C)cn1 74275576 572520831 /nfs/dbraw/zinc/52/08/31/572520831.db2.gz BZIFCESFXQUNBR-QMMMGPOBSA-N 0 0 189.262 2.401 10 30 AEEERN C#C[C@@](C)(CC)CCCCO 238288058 572521043 /nfs/dbraw/zinc/52/10/43/572521043.db2.gz BVKLKGWYBAUTSY-JTQLQIEISA-N 0 0 154.253 2.199 10 30 AEEERN C[C@H](C#N)c1ncc(C(F)(F)F)o1 74275341 572521596 /nfs/dbraw/zinc/52/15/96/572521596.db2.gz AKNCBVQEKCNRIW-SCSAIBSYSA-N 0 0 190.124 2.320 10 30 AEEERN CC[C@H](C)O[P@@](=O)(CC)CC=O 238287647 572521777 /nfs/dbraw/zinc/52/17/77/572521777.db2.gz QYVHDTSAIPMUDI-UFBFGSQYSA-N 0 0 192.195 2.298 10 30 AEEERN CCO[C@H](C)[C@H](CC)CCC=O 238284384 572522027 /nfs/dbraw/zinc/52/20/27/572522027.db2.gz SHHDKIXLECQKLA-NXEZZACHSA-N 0 0 172.268 2.417 10 30 AEEERN C=CCC[C@@H](CC)NC(=O)OCC 238284577 572522073 /nfs/dbraw/zinc/52/20/73/572522073.db2.gz SXDLBMKLDWVHGM-SECBINFHSA-N 0 0 185.267 2.477 10 30 AEEERN CCC[S@](=O)[C@@H]1CCCC[C@@H]1C#N 84262060 572522232 /nfs/dbraw/zinc/52/22/32/572522232.db2.gz DTGZMSBZDYYWMV-GIPNMCIBSA-N 0 0 199.319 2.227 10 30 AEEERN C=C[C@H](C)[C@H]1C=CC[C@H](CO)C1 307445673 572522535 /nfs/dbraw/zinc/52/25/35/572522535.db2.gz CRGJEBMDIXJZGK-DCAQKATOSA-N 0 0 166.264 2.383 10 30 AEEERN C=C1C[C@@H]2CCCC[C@H]2[C@@H]1O 307485684 572522576 /nfs/dbraw/zinc/52/25/76/572522576.db2.gz BEYGNECGMVADJU-IVZWLZJFSA-N 0 0 152.237 2.114 10 30 AEEERN C[C@@H](C#N)C[S@@](=O)CC1CCCC1 84267386 572522960 /nfs/dbraw/zinc/52/29/60/572522960.db2.gz GPQJQZFLZCGXLE-ZANVPECISA-N 0 0 199.319 2.085 10 30 AEEERN C[C@@H](C#N)c1ncc(C(F)(F)F)o1 74275338 572523017 /nfs/dbraw/zinc/52/30/17/572523017.db2.gz AKNCBVQEKCNRIW-BYPYZUCNSA-N 0 0 190.124 2.320 10 30 AEEERN C[C@H](C#N)C[S@@](=O)CC1CCCC1 84267384 572523185 /nfs/dbraw/zinc/52/31/85/572523185.db2.gz GPQJQZFLZCGXLE-RNCFNFMXSA-N 0 0 199.319 2.085 10 30 AEEERN C=C(COC)[C@]1(O)CCC[C@@H](C)C1 307454528 572523234 /nfs/dbraw/zinc/52/32/34/572523234.db2.gz WLWAMBMQVOOAOW-KOLCDFICSA-N 0 0 184.279 2.130 10 30 AEEERN CC1(C)CCC(=O)C2=C1C(=O)CC2 207644173 572523242 /nfs/dbraw/zinc/52/32/42/572523242.db2.gz MBZJIRGUZZLXOA-UHFFFAOYSA-N 0 0 178.231 2.035 10 30 AEEERN CCO[C@H](CC=O)[C@@H]1CC=CCC1 238287387 572523297 /nfs/dbraw/zinc/52/32/97/572523297.db2.gz XZLCJVYUYVZUDD-GHMZBOCLSA-N 0 0 182.263 2.337 10 30 AEEERN CCCN=Nc1nc2ccccc2[nH]1 45238393 572523454 /nfs/dbraw/zinc/52/34/54/572523454.db2.gz WIMNRNYLUCTSDC-YRNVUSSQSA-N 0 0 188.234 2.371 10 30 AEEERN Cc1nc(CC#N)oc1C(F)(F)F 74275335 572523479 /nfs/dbraw/zinc/52/34/79/572523479.db2.gz CPWSPFJIIOKNTP-UHFFFAOYSA-N 0 0 190.124 2.068 10 30 AEEERN C[C@H](C#N)c1cnc(C(C)(C)C)cn1 74275578 572523506 /nfs/dbraw/zinc/52/35/06/572523506.db2.gz BZIFCESFXQUNBR-MRVPVSSYSA-N 0 0 189.262 2.401 10 30 AEEERN CC(C)Cc1cnc([C@@H](C)C#N)cn1 74275579 572523565 /nfs/dbraw/zinc/52/35/65/572523565.db2.gz DPXCVGLSICSLJD-VIFPVBQESA-N 0 0 189.262 2.302 10 30 AEEERN CC[C@](C)(C=O)[C@](C)(C=O)CC 238287458 572523812 /nfs/dbraw/zinc/52/38/12/572523812.db2.gz KHBYXLVUSCYJDI-AOOOYVTPSA-N 0 0 170.252 2.217 10 30 AEEERN CC[C@@](C)(C=O)N(O)c1ccccc1 238287400 572524133 /nfs/dbraw/zinc/52/41/33/572524133.db2.gz MVOGGIOZNHQIQZ-NSHDSACASA-N 0 0 193.246 2.250 10 30 AEEERN C=CC[C@@H](OCC)[C@@H](O)c1ccco1 238287251 572524508 /nfs/dbraw/zinc/52/45/08/572524508.db2.gz XSKWYJOIWIXZIO-MWLCHTKSSA-N 0 0 196.246 2.294 10 30 AEEERN CCO[C@H](CC=O)/C(C)=C/Cl 238287306 572524549 /nfs/dbraw/zinc/52/45/49/572524549.db2.gz GERFEHBKPVLALM-HYDMIIDASA-N 0 0 176.643 2.123 10 30 AEEERN Cc1cc2nc(CC#N)sc2cn1 74275792 572524676 /nfs/dbraw/zinc/52/46/76/572524676.db2.gz CCUZKBDQHJOIIK-UHFFFAOYSA-N 0 0 189.243 2.066 10 30 AEEERN N#CCc1c[nH]c(-c2ccsc2)n1 74275798 572524706 /nfs/dbraw/zinc/52/47/06/572524706.db2.gz YXVLDVBGDGTPNU-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN CC[C@@](C)(C=O)[C@](C)(C=O)CC 238287436 572524771 /nfs/dbraw/zinc/52/47/71/572524771.db2.gz KHBYXLVUSCYJDI-UWVGGRQHSA-N 0 0 170.252 2.217 10 30 AEEERN C=CC[C@]12C(=O)CCC[C@@H]1CC[C@H]2O 307417556 572524825 /nfs/dbraw/zinc/52/48/25/572524825.db2.gz KZURSZPYIWZEOQ-YUSALJHKSA-N 0 0 194.274 2.073 10 30 AEEERN C[C@@H]1CCc2n[nH]c([C@@H](C)C#N)c2C1 74275664 572524909 /nfs/dbraw/zinc/52/49/09/572524909.db2.gz FNIUVSMGFBGHMM-SFYZADRCSA-N 0 0 189.262 2.162 10 30 AEEERN C=CCN[C@@H]1CCCCC1(F)F 307474863 572524923 /nfs/dbraw/zinc/52/49/23/572524923.db2.gz XHZLSSIVIRMMPG-MRVPVSSYSA-N 0 0 175.222 2.340 10 30 AEEERN C#Cc1c(C=O)cccc1OC1CC1 307484484 572525023 /nfs/dbraw/zinc/52/50/23/572525023.db2.gz ASJPXXBZKZRNBB-UHFFFAOYSA-N 0 0 186.210 2.022 10 30 AEEERN CCO[C@H](CC=O)[C@H]1CC=CCC1 238287352 572525469 /nfs/dbraw/zinc/52/54/69/572525469.db2.gz XZLCJVYUYVZUDD-WDEREUQCSA-N 0 0 182.263 2.337 10 30 AEEERN N#C[C@@H]1CCc2c(F)cccc2C1=O 74276473 572525518 /nfs/dbraw/zinc/52/55/18/572525518.db2.gz YNHMWGPFYVEEIN-ZETCQYMHSA-N 0 0 189.189 2.094 10 30 AEEERN Cc1n[nH]cc1-c1cscc1C#N 74275801 572525627 /nfs/dbraw/zinc/52/56/27/572525627.db2.gz OEONRXDWBZRVLI-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C=CC[C@@H](OCC)[C@H](O)c1ccco1 238287269 572525696 /nfs/dbraw/zinc/52/56/96/572525696.db2.gz XSKWYJOIWIXZIO-KOLCDFICSA-N 0 0 196.246 2.294 10 30 AEEERN N#CCc1c[nH]c(-c2cccs2)n1 74275797 572525710 /nfs/dbraw/zinc/52/57/10/572525710.db2.gz OXBVDNKFBGGWGC-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN C#CCCSc1nc(CC)ns1 87515860 572526095 /nfs/dbraw/zinc/52/60/95/572526095.db2.gz ISMGFVMAYNNFCP-UHFFFAOYSA-N 0 0 198.316 2.216 10 30 AEEERN N#C[C@]12CCCC[C@H]1CC[C@H]2CCO 250854197 572525848 /nfs/dbraw/zinc/52/58/48/572525848.db2.gz OVQVNNWUZNXKNU-SDDRHHMPSA-N 0 0 193.290 2.479 10 30 AEEERN CC(C)Oc1ccccc1CC=O 87511627 572525854 /nfs/dbraw/zinc/52/58/54/572525854.db2.gz LCNAMKFQUIFNEJ-UHFFFAOYSA-N 0 0 178.231 2.215 10 30 AEEERN C[C@H]1CCc2n[nH]c([C@@H](C)C#N)c2C1 74275666 572526073 /nfs/dbraw/zinc/52/60/73/572526073.db2.gz FNIUVSMGFBGHMM-YUMQZZPRSA-N 0 0 189.262 2.162 10 30 AEEERN CCc1nc(C)nc([C@H](C)C#N)c1C 74275661 572526194 /nfs/dbraw/zinc/52/61/94/572526194.db2.gz ZWUSWYCHQVHNRF-SSDOTTSWSA-N 0 0 189.262 2.283 10 30 AEEERN Cn1ccc(-c2sncc2C#N)c1 74275802 572526233 /nfs/dbraw/zinc/52/62/33/572526233.db2.gz FTNXYDVFMIGIMA-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN Cc1nc(-c2ccc[nH]2)sc1C#N 74275806 572526306 /nfs/dbraw/zinc/52/63/06/572526306.db2.gz OCCQWEMUQDRELG-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C=C1CCC(=O)[C@@]2(C)CC[C@@H](O)C[C@@H]12 307435870 572526710 /nfs/dbraw/zinc/52/67/10/572526710.db2.gz KYOGWNQUJRMXFV-SCVCMEIPSA-N 0 0 194.274 2.073 10 30 AEEERN CC[C@H](CC#N)Sc1ncns1 87514145 572526480 /nfs/dbraw/zinc/52/64/80/572526480.db2.gz VYOYJHFWEGMQFD-ZCFIWIBFSA-N 0 0 199.304 2.322 10 30 AEEERN C=C(COC)[C@]1(O)C[C@H](C)CC[C@@H]1C 307405397 572526672 /nfs/dbraw/zinc/52/66/72/572526672.db2.gz FAJSKDUQYXADJN-SCVCMEIPSA-N 0 0 198.306 2.376 10 30 AEEERN N#CCCCCSc1ncns1 87514102 572526886 /nfs/dbraw/zinc/52/68/86/572526886.db2.gz BHICZOUAARKQQI-UHFFFAOYSA-N 0 0 199.304 2.324 10 30 AEEERN CCc1nc(C)nc([C@@H](C)C#N)c1C 74275660 572527486 /nfs/dbraw/zinc/52/74/86/572527486.db2.gz ZWUSWYCHQVHNRF-ZETCQYMHSA-N 0 0 189.262 2.283 10 30 AEEERN C=C1C[C@@H]2CCCC[C@H]2[C@H]1O 307485681 572527525 /nfs/dbraw/zinc/52/75/25/572527525.db2.gz BEYGNECGMVADJU-AEJSXWLSSA-N 0 0 152.237 2.114 10 30 AEEERN N#CCc1nccc2sccc12 63046468 572527584 /nfs/dbraw/zinc/52/75/84/572527584.db2.gz KOWIVHKXBXYHFS-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN C=CCCn1c2c(sc1=N)CCC2 307462055 572527624 /nfs/dbraw/zinc/52/76/24/572527624.db2.gz FTRMIJDSTBWCIA-UHFFFAOYSA-N 0 0 194.303 2.094 10 30 AEEERN N#CCn1cnc(C2CCCCC2)c1 74275685 572527697 /nfs/dbraw/zinc/52/76/97/572527697.db2.gz DAOAQSYTBHTFKH-UHFFFAOYSA-N 0 0 189.262 2.454 10 30 AEEERN N#C[C@H]1CCc2c(F)cccc2C1=O 74276470 572527798 /nfs/dbraw/zinc/52/77/98/572527798.db2.gz YNHMWGPFYVEEIN-SSDOTTSWSA-N 0 0 189.189 2.094 10 30 AEEERN C[C@H](C#N)c1[nH]nc2c1C[C@H](C)CC2 74275668 572527860 /nfs/dbraw/zinc/52/78/60/572527860.db2.gz FNIUVSMGFBGHMM-HTQZYQBOSA-N 0 0 189.262 2.162 10 30 AEEERN CCCCCc1ccc(C#N)c(N)n1 74275697 572527987 /nfs/dbraw/zinc/52/79/87/572527987.db2.gz QSQJBZMQNJLNGZ-UHFFFAOYSA-N 0 0 189.262 2.268 10 30 AEEERN CCO[C@@H](/C(C)=C/Cl)[C@H](C)C=O 238292328 572528058 /nfs/dbraw/zinc/52/80/58/572528058.db2.gz BOURLKTYWAZQNI-FQDVODHFSA-N 0 0 190.670 2.369 10 30 AEEERN C#C[C@](C)(CC)OC(=O)NCC(C)C 238292150 572528096 /nfs/dbraw/zinc/52/80/96/572528096.db2.gz UWEIJQUBTQEIFP-LLVKDONJSA-N 0 0 197.278 2.171 10 30 AEEERN C=CC(C)(C)[C@@]1(C)C[C@@H]1CO 307409868 572528193 /nfs/dbraw/zinc/52/81/93/572528193.db2.gz OGGIPBMIFIVLAY-SCZZXKLOSA-N 0 0 154.253 2.217 10 30 AEEERN N#C[C@]12CCCC[C@@H]1CC[C@H]2CCO 250854195 572528215 /nfs/dbraw/zinc/52/82/15/572528215.db2.gz OVQVNNWUZNXKNU-GRYCIOLGSA-N 0 0 193.290 2.479 10 30 AEEERN Cc1nc(CC[C@H](C)C=O)cs1 84276595 572528317 /nfs/dbraw/zinc/52/83/17/572528317.db2.gz JQNCQFKHJWUISU-ZETCQYMHSA-N 0 0 183.276 2.219 10 30 AEEERN C=C[C@](C)(CC)O[C@@H](C)[C@@H](C)O 238292836 572528661 /nfs/dbraw/zinc/52/86/61/572528661.db2.gz WUHNFMDNTKINTI-KXUCPTDWSA-N 0 0 172.268 2.127 10 30 AEEERN C/C=C(\C)[C@H](OCC)[C@@H](C)C=O 238292175 572528444 /nfs/dbraw/zinc/52/84/44/572528444.db2.gz OTAOMQGSUUNNFY-VCQGXKKCSA-N 0 0 170.252 2.193 10 30 AEEERN CC[C@@H]1C=CC(=O)CC=CC1 238288992 572528517 /nfs/dbraw/zinc/52/85/17/572528517.db2.gz IUDPZJJZHCDFBU-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C/C=C/[C@@H]1O[C@@H]1/C=C\Br 307790522 572528578 /nfs/dbraw/zinc/52/85/78/572528578.db2.gz AEYVJDPXRGYXET-MDDBGJKTSA-N 0 0 189.052 2.239 10 30 AEEERN C#CCSCc1cccc(CO)c1 76980419 572528851 /nfs/dbraw/zinc/52/88/51/572528851.db2.gz YVVFJRDDQQNKAC-UHFFFAOYSA-N 0 0 192.283 2.045 10 30 AEEERN CCN(c1cccc(N)c1)[C@H](C)C#N 63107961 572529212 /nfs/dbraw/zinc/52/92/12/572529212.db2.gz WLUMWSXDBNCNNA-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN C=C1CCCC/C1=C\CO 307795987 572540542 /nfs/dbraw/zinc/54/05/42/572540542.db2.gz LBKGMKJTDLJJEB-RMKNXTFCSA-N 0 0 138.210 2.035 10 30 AEEERN C#CCSCc1ccc(CO)cc1 76980126 572529380 /nfs/dbraw/zinc/52/93/80/572529380.db2.gz KHEGQKNWLOOEGM-UHFFFAOYSA-N 0 0 192.283 2.045 10 30 AEEERN CC#C[C@@](O)(CC)c1ccsc1 307428301 572529392 /nfs/dbraw/zinc/52/93/92/572529392.db2.gz AGCJTOPNDHKWCI-JTQLQIEISA-N 0 0 180.272 2.369 10 30 AEEERN CCO[C@@H](/C(C)=C/Cl)[C@@H](C)C=O 238292188 572529484 /nfs/dbraw/zinc/52/94/84/572529484.db2.gz BOURLKTYWAZQNI-NHELSVQFSA-N 0 0 190.670 2.369 10 30 AEEERN C=C[C@](C)(CC)O[C@H](C)[C@@H](C)O 238292856 572529544 /nfs/dbraw/zinc/52/95/44/572529544.db2.gz WUHNFMDNTKINTI-OPRDCNLKSA-N 0 0 172.268 2.127 10 30 AEEERN CCCN(CC#N)c1ccc(N)cc1 63115980 572529620 /nfs/dbraw/zinc/52/96/20/572529620.db2.gz QPJQTFRGQIAFMA-UHFFFAOYSA-N 0 0 189.262 2.009 10 30 AEEERN CC[C@H](CC#N)C(=O)c1ccco1 238291938 572529997 /nfs/dbraw/zinc/52/99/97/572529997.db2.gz BSWSJKXXEUOMHU-MRVPVSSYSA-N 0 0 177.203 2.402 10 30 AEEERN Cc1nc(CC[C@@H](C)C=O)cs1 84276593 572530022 /nfs/dbraw/zinc/53/00/22/572530022.db2.gz JQNCQFKHJWUISU-SSDOTTSWSA-N 0 0 183.276 2.219 10 30 AEEERN C=C[C@H](O)[C@H]1CC=CC[C@H]1C 307482628 572530073 /nfs/dbraw/zinc/53/00/73/572530073.db2.gz ZDNUOCQSOKZOHA-UTLUCORTSA-N 0 0 152.237 2.136 10 30 AEEERN C/C=C\[C@@H]1O[C@@H]1/C=C/Br 307790521 572530122 /nfs/dbraw/zinc/53/01/22/572530122.db2.gz AEYVJDPXRGYXET-LRJDXKIPSA-N 0 0 189.052 2.239 10 30 AEEERN C/C=C\[C@@H]1O[C@@H]1/C=C\Br 307790520 572530141 /nfs/dbraw/zinc/53/01/41/572530141.db2.gz AEYVJDPXRGYXET-GWSWWCFNSA-N 0 0 189.052 2.239 10 30 AEEERN C=C[C@H](C#CCCCCO)CC 238289778 572530360 /nfs/dbraw/zinc/53/03/60/572530360.db2.gz IJGYDZQZOXHODJ-NSHDSACASA-N 0 0 166.264 2.365 10 30 AEEERN C/C=C(\C)[C@H](OCC)[C@H](C)C=O 238292322 572530837 /nfs/dbraw/zinc/53/08/37/572530837.db2.gz OTAOMQGSUUNNFY-URNYOCNJSA-N 0 0 170.252 2.193 10 30 AEEERN CC#CCC[C@@H](O)[C@H]1CCCSC1 307450857 572531010 /nfs/dbraw/zinc/53/10/10/572531010.db2.gz QJLJJONCWRGRLW-WDEREUQCSA-N 0 0 198.331 2.294 10 30 AEEERN CCN(c1cccc(N)c1)[C@@H](C)C#N 63107959 572531024 /nfs/dbraw/zinc/53/10/24/572531024.db2.gz WLUMWSXDBNCNNA-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN C=C(COC)[C@]1(O)C[C@@H](C)CC[C@@H]1C 307405385 572531044 /nfs/dbraw/zinc/53/10/44/572531044.db2.gz FAJSKDUQYXADJN-NHCYSSNCSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@H](NC=O)C1 307497016 572531578 /nfs/dbraw/zinc/53/15/78/572531578.db2.gz CTJRKJOQJZEUQS-HBNTYKKESA-N 0 0 181.279 2.113 10 30 AEEERN C[C@@H](CS)CSc1ncc[nH]1 235128465 572531641 /nfs/dbraw/zinc/53/16/41/572531641.db2.gz MJGMHCAUNIKENX-LURJTMIESA-N 0 0 188.321 2.068 10 30 AEEERN CCOC[C@@H](C=O)CC(C)(C)C 238291038 572531675 /nfs/dbraw/zinc/53/16/75/572531675.db2.gz JSQPVNZCVUTNKS-SECBINFHSA-N 0 0 172.268 2.274 10 30 AEEERN CCOC[C@H](C=O)c1ccccc1 238291027 572531711 /nfs/dbraw/zinc/53/17/11/572531711.db2.gz KVZYOZAQTGATEQ-NSHDSACASA-N 0 0 178.231 2.006 10 30 AEEERN C=C(C)c1ncc(C)o1 307488628 572531713 /nfs/dbraw/zinc/53/17/13/572531713.db2.gz FFAAQMAZSWQWNR-UHFFFAOYSA-N 0 0 123.155 2.016 10 30 AEEERN CCOC[C@](C)(C=O)c1ccccc1 238293162 572531897 /nfs/dbraw/zinc/53/18/97/572531897.db2.gz ABBBBVLOJBKHBD-LBPRGKRZSA-N 0 0 192.258 2.180 10 30 AEEERN CCOC[C@H](CC=O)c1ccccc1 238291122 572531969 /nfs/dbraw/zinc/53/19/69/572531969.db2.gz WVGTWGQXSNEDAJ-LBPRGKRZSA-N 0 0 192.258 2.396 10 30 AEEERN C#C[C@@H](O)c1cc2ccccc2n1CC 238293407 572532376 /nfs/dbraw/zinc/53/23/76/572532376.db2.gz JTBBNOBEMKBPNU-CYBMUJFWSA-N 0 0 199.253 2.328 10 30 AEEERN CSC1(CN[C@@H](C)C#N)CCCC1 235128477 572532256 /nfs/dbraw/zinc/53/22/56/572532256.db2.gz GZWJTRMGRPPTMG-VIFPVBQESA-N 0 0 198.335 2.164 10 30 AEEERN C=C[C@@H](CC)[C@H](CO)C(C)C 238290393 572532354 /nfs/dbraw/zinc/53/23/54/572532354.db2.gz CNPNCFVYGISWOJ-VHSXEESVSA-N 0 0 156.269 2.463 10 30 AEEERN COc1ccc(CC[C@H](C)C=O)cc1 84324980 572532955 /nfs/dbraw/zinc/53/29/55/572532955.db2.gz ITZPRNFXEJSJMK-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN COCc1ncc(C#N)cc1C(C)C 74274389 572533014 /nfs/dbraw/zinc/53/30/14/572533014.db2.gz FNCYHZWNPQDINJ-UHFFFAOYSA-N 0 0 190.246 2.223 10 30 AEEERN CC[C@](C)(O)CC(=O)C=C(C)C 238290354 572533017 /nfs/dbraw/zinc/53/30/17/572533017.db2.gz BBKNJYOAZDBCPB-JTQLQIEISA-N 0 0 170.252 2.073 10 30 AEEERN C=C[C@@H](CC)[C@@H](CO)C(C)C 238290051 572533210 /nfs/dbraw/zinc/53/32/10/572533210.db2.gz CNPNCFVYGISWOJ-UWVGGRQHSA-N 0 0 156.269 2.463 10 30 AEEERN C=C(C[C@@H](O)OCC)c1ccccc1 238291229 572533297 /nfs/dbraw/zinc/53/32/97/572533297.db2.gz LICGGLJXQLJTON-LBPRGKRZSA-N 0 0 192.258 2.445 10 30 AEEERN C=CCNC(=O)[C@H](CC)[C@@H](C)CC 238293285 572533603 /nfs/dbraw/zinc/53/36/03/572533603.db2.gz BWRWYXTZLHZCLS-VHSXEESVSA-N 0 0 183.295 2.361 10 30 AEEERN C#C[C@H](O)c1cc2ccccc2n1CC 238293267 572533625 /nfs/dbraw/zinc/53/36/25/572533625.db2.gz JTBBNOBEMKBPNU-ZDUSSCGKSA-N 0 0 199.253 2.328 10 30 AEEERN COc1ccc(CC[C@@H](C)C=O)cc1 84324982 572533834 /nfs/dbraw/zinc/53/38/34/572533834.db2.gz ITZPRNFXEJSJMK-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN C#C[C@H](O)[C@H](CC)/C(C)=C/C=C 238293132 572534000 /nfs/dbraw/zinc/53/40/00/572534000.db2.gz SIYJUNCOTLRQCJ-OJLMFNQTSA-N 0 0 164.248 2.139 10 30 AEEERN C=CC[C@H](O)c1cc(C)ns1 307403956 572534091 /nfs/dbraw/zinc/53/40/91/572534091.db2.gz CGQKYOJUMSFHLU-ZETCQYMHSA-N 0 0 169.249 2.061 10 30 AEEERN C[C@H](O)C#CC1=C[C@@H](C)SC[C@H]1C 307409862 572534669 /nfs/dbraw/zinc/53/46/69/572534669.db2.gz ODLXMHIICBIMDK-KXUCPTDWSA-N 0 0 196.315 2.068 10 30 AEEERN C=CC[C@](CC)(CCC=O)C(=O)OC 238294182 572534726 /nfs/dbraw/zinc/53/47/26/572534726.db2.gz SMFGDGYJLYXARU-LLVKDONJSA-N 0 0 198.262 2.111 10 30 AEEERN Cc1coc(SC[C@H](C)C#N)n1 235137596 572534858 /nfs/dbraw/zinc/53/48/58/572534858.db2.gz RPZHUMZFUJQLNH-ZCFIWIBFSA-N 0 0 182.248 2.235 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H](NC=O)C1 307497014 572534875 /nfs/dbraw/zinc/53/48/75/572534875.db2.gz CTJRKJOQJZEUQS-GMTAPVOTSA-N 0 0 181.279 2.113 10 30 AEEERN CCC[C@@H](C)C=NOC 307793605 572534949 /nfs/dbraw/zinc/53/49/49/572534949.db2.gz CBEGWJZUDUHVDN-SSDOTTSWSA-N 0 0 129.203 2.055 10 30 AEEERN C=C1CCCCC[C@@]1(O)[C@H](O)CC 307416575 572535055 /nfs/dbraw/zinc/53/50/55/572535055.db2.gz NPSFPZRPMMXOFO-MNOVXSKESA-N 0 0 184.279 2.009 10 30 AEEERN C=C[C@]1(C)CCC[C@@H](C)[C@@H]1O 307400487 572535106 /nfs/dbraw/zinc/53/51/06/572535106.db2.gz CMQXMCLUYJUCBZ-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H](NN)[C@H]1CCCC[C@H]1C 307403756 572535588 /nfs/dbraw/zinc/53/55/88/572535588.db2.gz AVLFCMXOUHSXOE-VWYCJHECSA-N 0 0 182.311 2.221 10 30 AEEERN C=C(COC)[C@@]1(O)CCC[C@@H](C)C1 307454529 572536048 /nfs/dbraw/zinc/53/60/48/572536048.db2.gz WLWAMBMQVOOAOW-MWLCHTKSSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(COC)[C@]1(O)C[C@@H](C)CC[C@H]1C 307405409 572536167 /nfs/dbraw/zinc/53/61/67/572536167.db2.gz FAJSKDUQYXADJN-UMNHJUIQSA-N 0 0 198.306 2.376 10 30 AEEERN C=CC[C@](C=O)(CC)CCC(=O)OC 238293999 572536631 /nfs/dbraw/zinc/53/66/31/572536631.db2.gz URKRTSVOEWCYEE-LLVKDONJSA-N 0 0 198.262 2.111 10 30 AEEERN CC=CC(=O)c1cc(C)cc(C)n1 307480989 572537090 /nfs/dbraw/zinc/53/70/90/572537090.db2.gz PFHACWDZTOSINV-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN C#CCC[C@]1(O)CC2CCC1CC2 307450753 572537266 /nfs/dbraw/zinc/53/72/66/572537266.db2.gz RQGVIMWLRIUWQO-MCIGGMRASA-N 0 0 178.275 2.341 10 30 AEEERN CCc1oc(C(C)(C)C)nc1CC=O 238293532 572537348 /nfs/dbraw/zinc/53/73/48/572537348.db2.gz LQMWCUPLXHYLBY-UHFFFAOYSA-N 0 0 195.262 2.276 10 30 AEEERN C=CC(C)(C)[C@]1(C)C[C@H]1CO 307409869 572537502 /nfs/dbraw/zinc/53/75/02/572537502.db2.gz OGGIPBMIFIVLAY-WCBMZHEXSA-N 0 0 154.253 2.217 10 30 AEEERN C#C/C=C/c1ccccc1NC(C)=O 307423674 572537496 /nfs/dbraw/zinc/53/74/96/572537496.db2.gz NUYFQRJDJRCVOL-QPJJXVBHSA-N 0 0 185.226 2.291 10 30 AEEERN N#Cc1csnc1Cc1ccco1 74274469 572537833 /nfs/dbraw/zinc/53/78/33/572537833.db2.gz KJJHTAMAWZBVFB-UHFFFAOYSA-N 0 0 190.227 2.199 10 30 AEEERN C=CCN[C@H](C#N)[C@H]1CCC[C@H](C)C1 84343939 572537880 /nfs/dbraw/zinc/53/78/80/572537880.db2.gz PEMSZSWIWPUCAR-SDDRHHMPSA-N 0 0 192.306 2.480 10 30 AEEERN C=CC[C@H](O)/C=C(\C)C=C 307791973 572538046 /nfs/dbraw/zinc/53/80/46/572538046.db2.gz IWJOSWRWZXXPBJ-FLOXNTQESA-N 0 0 138.210 2.056 10 30 AEEERN Cc1noc(-c2ccccc2CC#N)n1 235969096 572538053 /nfs/dbraw/zinc/53/80/53/572538053.db2.gz DTDAZKATWCMDRC-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN C=CC[C@@H](O)/C=C(\C)C=C 307791971 572538063 /nfs/dbraw/zinc/53/80/63/572538063.db2.gz IWJOSWRWZXXPBJ-FCZSHJHJSA-N 0 0 138.210 2.056 10 30 AEEERN C=CCN[C@@H](C#N)C1CCC(C)CC1 84339598 572538170 /nfs/dbraw/zinc/53/81/70/572538170.db2.gz RNLOTUYKIFCUAC-MCIGGMRASA-N 0 0 192.306 2.480 10 30 AEEERN C[C@H]1CC[C@@]1(O)C#Cc1ccccc1 307436043 572538338 /nfs/dbraw/zinc/53/83/38/572538338.db2.gz OVAICVCUQGODSQ-WCQYABFASA-N 0 0 186.254 2.199 10 30 AEEERN C=C[C@H](O)[C@@H]1CC=CC[C@H]1C 307482627 572538431 /nfs/dbraw/zinc/53/84/31/572538431.db2.gz ZDNUOCQSOKZOHA-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN CCCC=NN[C@H](C)CC 307793948 572538463 /nfs/dbraw/zinc/53/84/63/572538463.db2.gz SEHRNXZHCPKLFN-MRVPVSSYSA-N 0 0 142.246 2.160 10 30 AEEERN C=C(C)Cc1ccnc(Cl)n1 307412929 572538464 /nfs/dbraw/zinc/53/84/64/572538464.db2.gz GXPGOFDDPDHHCX-UHFFFAOYSA-N 0 0 168.627 2.249 10 30 AEEERN Cc1nocc1-c1cc(CC#N)co1 74278378 572538478 /nfs/dbraw/zinc/53/84/78/572538478.db2.gz IIJZYTTVKIBQQC-UHFFFAOYSA-N 0 0 188.186 2.309 10 30 AEEERN C=CCC(=O)CC1(C)CC1 307446532 572538529 /nfs/dbraw/zinc/53/85/29/572538529.db2.gz HCAXHEOEESCKIP-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C#CC[C@@](O)(CC)c1ccsc1 307412587 572538647 /nfs/dbraw/zinc/53/86/47/572538647.db2.gz IPQSBJISQSTGHH-JTQLQIEISA-N 0 0 180.272 2.369 10 30 AEEERN C=C(C)[C@@H](O)c1cccc(OC)c1F 307443364 572538674 /nfs/dbraw/zinc/53/86/74/572538674.db2.gz BTSPNACJTZLEKC-LLVKDONJSA-N 0 0 196.221 2.444 10 30 AEEERN CC#C[C@H](O)c1cccc(Cl)c1 307432398 572538677 /nfs/dbraw/zinc/53/86/77/572538677.db2.gz ZEJCMMVODVTQAZ-JTQLQIEISA-N 0 0 180.634 2.397 10 30 AEEERN C#C[C@@H]1C[C@H]2CCCC[C@H]2CC1=O 307478607 572538710 /nfs/dbraw/zinc/53/87/10/572538710.db2.gz IUVFZVKCOPUBPK-MXWKQRLJSA-N 0 0 176.259 2.405 10 30 AEEERN Cc1cc2cc(O)ccc2c(C#N)n1 250912781 572538829 /nfs/dbraw/zinc/53/88/29/572538829.db2.gz GQIQVMITPRXIBE-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C#C[C@@](C)(CC)[NH2+][C@@](C)(C#C)CC 238296923 572539072 /nfs/dbraw/zinc/53/90/72/572539072.db2.gz TXJINXCQNLWYKK-RYUDHWBXSA-N 0 0 177.291 2.180 10 30 AEEERN C=CCN[C@H](C#N)[C@H]1CCC[C@@H](C)C1 84343936 572539158 /nfs/dbraw/zinc/53/91/58/572539158.db2.gz PEMSZSWIWPUCAR-GRYCIOLGSA-N 0 0 192.306 2.480 10 30 AEEERN C=CCN[C@H](C#N)[C@@H]1CCC[C@H](C)C1 84343946 572539309 /nfs/dbraw/zinc/53/93/09/572539309.db2.gz PEMSZSWIWPUCAR-QJPTWQEYSA-N 0 0 192.306 2.480 10 30 AEEERN Cc1nc(CC#N)oc1-c1ccco1 74278273 572539392 /nfs/dbraw/zinc/53/93/92/572539392.db2.gz CCZJFQMISHBLKS-UHFFFAOYSA-N 0 0 188.186 2.309 10 30 AEEERN C=CCN[C@H](C#N)[C@@H]1CCC[C@@H](C)C1 84343942 572539474 /nfs/dbraw/zinc/53/94/74/572539474.db2.gz PEMSZSWIWPUCAR-IJLUTSLNSA-N 0 0 192.306 2.480 10 30 AEEERN C#C[C@](C)(CC)[NH2+][C@@](C)(C#C)CC 238296881 572539498 /nfs/dbraw/zinc/53/94/98/572539498.db2.gz TXJINXCQNLWYKK-TXEJJXNPSA-N 0 0 177.291 2.180 10 30 AEEERN CCCNN=CC(C)(C)C 307793992 572539545 /nfs/dbraw/zinc/53/95/45/572539545.db2.gz SGNPATDSECUDBA-UHFFFAOYSA-N 0 0 142.246 2.018 10 30 AEEERN C=CCN[C@H](C#N)C1CCC(C)CC1 84339597 572539708 /nfs/dbraw/zinc/53/97/08/572539708.db2.gz RNLOTUYKIFCUAC-HTAVTVPLSA-N 0 0 192.306 2.480 10 30 AEEERN CC/C=C\C[C@@](C)(F)C=O 307793145 572539795 /nfs/dbraw/zinc/53/97/95/572539795.db2.gz AGYHFAVRRFJJKB-PULIVWKDSA-N 0 0 144.189 2.270 10 30 AEEERN CC[C@@H](CC(C)C)C(=O)C(C#N)C#N 308056260 572539817 /nfs/dbraw/zinc/53/98/17/572539817.db2.gz OWDRPLZDMKTDGW-VIFPVBQESA-N 0 0 192.262 2.291 10 30 AEEERN CC[C@H](CC(C)C)C(=O)C(C#N)C#N 308056259 572539865 /nfs/dbraw/zinc/53/98/65/572539865.db2.gz OWDRPLZDMKTDGW-SECBINFHSA-N 0 0 192.262 2.291 10 30 AEEERN C=CC(=C)C[C@H](O)/C=C\C 307794924 572540185 /nfs/dbraw/zinc/54/01/85/572540185.db2.gz KILXSZHVBUNJNY-XTULLQBASA-N 0 0 138.210 2.056 10 30 AEEERN C=C(F)COCOC/C=C\Cl 307795876 572540250 /nfs/dbraw/zinc/54/02/50/572540250.db2.gz KQSRTKUCCDSOLH-IHWYPQMZSA-N 0 0 180.606 2.213 10 30 AEEERN C=C(C)CC/C=C\CCO 307794873 572540608 /nfs/dbraw/zinc/54/06/08/572540608.db2.gz KGMUAOKSAZHNSO-ARJAWSKDSA-N 0 0 140.226 2.281 10 30 AEEERN N#CCC[C@@H]1CCCCCC1=O 196839937 572540836 /nfs/dbraw/zinc/54/08/36/572540836.db2.gz DIUHWEIGVMOEAB-VIFPVBQESA-N 0 0 165.236 2.440 10 30 AEEERN C=C[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 222279870 572540892 /nfs/dbraw/zinc/54/08/92/572540892.db2.gz ZVFRONYDBCXJNI-IUCAKERBSA-N 0 0 197.278 2.333 10 30 AEEERN C=CCSc1ccc(C=O)o1 307566488 572541219 /nfs/dbraw/zinc/54/12/19/572541219.db2.gz OGPNSSPNCRRNRL-UHFFFAOYSA-N 0 0 168.217 2.370 10 30 AEEERN CC[C@@](C)(O)CC(=O)C=C(C)C 238298104 572541227 /nfs/dbraw/zinc/54/12/27/572541227.db2.gz BBKNJYOAZDBCPB-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN C/C=C\[C@H](C)[C@@H](C)CC=O 307794529 572541479 /nfs/dbraw/zinc/54/14/79/572541479.db2.gz AIWZAGJDIASFLT-NSVKDGAOSA-N 0 0 140.226 2.424 10 30 AEEERN C=C[C@@H]1CC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]12 307565745 572541597 /nfs/dbraw/zinc/54/15/97/572541597.db2.gz RUGBZJLPASTOHJ-SXLYUPOASA-N 0 0 174.243 2.200 10 30 AEEERN C#C[C@@H](CC)[C@@H](O)Cc1ccccc1 238298605 572541828 /nfs/dbraw/zinc/54/18/28/572541828.db2.gz QGEIMRIJEYMWHR-STQMWFEESA-N 0 0 188.270 2.249 10 30 AEEERN C=C(C)[C@H]1C[C@H]2C[C@@]2(C)[C@H](O)C1 307502007 572541911 /nfs/dbraw/zinc/54/19/11/572541911.db2.gz VJCJFHXSPMGNOA-UKKRHICBSA-N 0 0 166.264 2.360 10 30 AEEERN C#C[C@@H](CC)[C@H](O)Cc1ccccc1 238298647 572541979 /nfs/dbraw/zinc/54/19/79/572541979.db2.gz QGEIMRIJEYMWHR-QWHCGFSZSA-N 0 0 188.270 2.249 10 30 AEEERN C[C@@H](S)/C=C\CCCCO 307794940 572541991 /nfs/dbraw/zinc/54/19/91/572541991.db2.gz KKJAONUCGGSHJJ-RZAAKKIOSA-N 0 0 160.282 2.024 10 30 AEEERN C=CCSCc1cnc(N)s1 307559047 572541997 /nfs/dbraw/zinc/54/19/97/572541997.db2.gz FEQBJXSCMDSFHN-UHFFFAOYSA-N 0 0 186.305 2.145 10 30 AEEERN CC[C@H](CCCC#N)C(C)=O 238298353 572542507 /nfs/dbraw/zinc/54/25/07/572542507.db2.gz ZPXUCUJMAVEKOT-SECBINFHSA-N 0 0 153.225 2.295 10 30 AEEERN C=C[C@](O)(CC)CNc1ccccc1 238299376 572542216 /nfs/dbraw/zinc/54/22/16/572542216.db2.gz LKFQCNUPUPCOAB-LBPRGKRZSA-N 0 0 191.274 2.426 10 30 AEEERN CC[C@H](C)[C@@H](O)[C@@](C)(C=O)CC 238299460 572542269 /nfs/dbraw/zinc/54/22/69/572542269.db2.gz AIPNLAKLQNLVNY-IVZWLZJFSA-N 0 0 172.268 2.009 10 30 AEEERN C/C=C\[C@H](C)[C@H](C)CC=O 307794527 572542422 /nfs/dbraw/zinc/54/24/22/572542422.db2.gz AIWZAGJDIASFLT-CGECUYNFSA-N 0 0 140.226 2.424 10 30 AEEERN C#C[C@@](C)(CC)OC(=O)NCC(C)C 238299532 572542737 /nfs/dbraw/zinc/54/27/37/572542737.db2.gz UWEIJQUBTQEIFP-NSHDSACASA-N 0 0 197.278 2.171 10 30 AEEERN C=C1C(=C)[C@@H]2C[C@H]1C=C(CO)C2=C 307510072 572542807 /nfs/dbraw/zinc/54/28/07/572542807.db2.gz KEPYQZAVRCXYAH-PWSUYJOCSA-N 0 0 174.243 2.223 10 30 AEEERN CC[C@@H](C)ON=CC(C)C 307796489 572542845 /nfs/dbraw/zinc/54/28/45/572542845.db2.gz UINKPXZVAPBZIS-MRVPVSSYSA-N 0 0 143.230 2.443 10 30 AEEERN CCc1cn(-c2ccccc2C#N)cn1 238298922 572542862 /nfs/dbraw/zinc/54/28/62/572542862.db2.gz NSAAKWYNGZELOY-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN C=C[C@@]12C=C(OC)[C@@H](CC1)C[C@H]2CO 307578481 572544754 /nfs/dbraw/zinc/54/47/54/572544754.db2.gz NVRADKJHTABJPY-NHCYSSNCSA-N 0 0 194.274 2.111 10 30 AEEERN C=C[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 222279924 572542882 /nfs/dbraw/zinc/54/28/82/572542882.db2.gz ZVFRONYDBCXJNI-DTWKUNHWSA-N 0 0 197.278 2.333 10 30 AEEERN CC[C@H](C)C(=O)/C=C\Cl 307794422 572543057 /nfs/dbraw/zinc/54/30/57/572543057.db2.gz BDMOBFFSRKDYJP-XSIKTDMUSA-N 0 0 146.617 2.354 10 30 AEEERN CC[C@H](CC=O)C(C)(C)C(C)=O 238297270 572543104 /nfs/dbraw/zinc/54/31/04/572543104.db2.gz OEOGWQAVMPLJPF-SECBINFHSA-N 0 0 170.252 2.217 10 30 AEEERN C#C[C@@H](O)c1c(F)cccc1SC 307570249 572543136 /nfs/dbraw/zinc/54/31/36/572543136.db2.gz ZGLQBZSLIXTMAK-MRVPVSSYSA-N 0 0 196.246 2.214 10 30 AEEERN C=CC(=C)C[C@@H](O)/C=C\C 307794923 572543162 /nfs/dbraw/zinc/54/31/62/572543162.db2.gz KILXSZHVBUNJNY-RNEXMXFGSA-N 0 0 138.210 2.056 10 30 AEEERN C[C@H](S)/C=C\CCCCO 307794938 572543198 /nfs/dbraw/zinc/54/31/98/572543198.db2.gz KKJAONUCGGSHJJ-HORMHSFOSA-N 0 0 160.282 2.024 10 30 AEEERN CC[C@H](C)ON=CC(C)C 307796490 572543247 /nfs/dbraw/zinc/54/32/47/572543247.db2.gz UINKPXZVAPBZIS-QMMMGPOBSA-N 0 0 143.230 2.443 10 30 AEEERN N#CCc1cnc(C2CCCC2)cn1 74278845 572543402 /nfs/dbraw/zinc/54/34/02/572543402.db2.gz DAQWFGLSLVRXFB-UHFFFAOYSA-N 0 0 187.246 2.200 10 30 AEEERN C=C[C@@H](C)SC[C@H]1CCCO1 307568848 572543497 /nfs/dbraw/zinc/54/34/97/572543497.db2.gz URSYPPUUGBIOFP-RKDXNWHRSA-N 0 0 172.293 2.473 10 30 AEEERN C=CCCCCNc1nncs1 308057951 572543929 /nfs/dbraw/zinc/54/39/29/572543929.db2.gz VETBLJXSTGXBTL-UHFFFAOYSA-N 0 0 183.280 2.306 10 30 AEEERN C=C[C@@H]1[C@@H]2C(=O)[C@@H]3CCC[C@@H]3[C@H]12 307584721 572544019 /nfs/dbraw/zinc/54/40/19/572544019.db2.gz JJWOXHPJERFHSY-CIQUZCHMSA-N 0 0 162.232 2.034 10 30 AEEERN C=CC[C@H](O)/C=C/C=C\C 307797501 572544026 /nfs/dbraw/zinc/54/40/26/572544026.db2.gz LRQNBGMHRACJAH-GPWFVFBPSA-N 0 0 138.210 2.056 10 30 AEEERN CC[C@H](CCO)/N=C/c1ccccc1 238301643 572544076 /nfs/dbraw/zinc/54/40/76/572544076.db2.gz CQFPWSAXIVUQTG-GMCKNXKJSA-N 0 0 191.274 2.267 10 30 AEEERN CCc1c(N)cccc1C[C@H](C)C=O 238301557 572544088 /nfs/dbraw/zinc/54/40/88/572544088.db2.gz NMEUMLJSWNIETA-VIFPVBQESA-N 0 0 191.274 2.209 10 30 AEEERN CCOC(=O)C1(CCC=O)CCCC1 238301478 572544169 /nfs/dbraw/zinc/54/41/69/572544169.db2.gz QZGSOVNGBSXTBD-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN CC#C[C@@](O)(CC)C1CCCC1 307503215 572544256 /nfs/dbraw/zinc/54/42/56/572544256.db2.gz VXLKGKQILDFDRE-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CCc1ncc(C#N)c2c1CCCC2 74280400 572545816 /nfs/dbraw/zinc/54/58/16/572545816.db2.gz HPXKEBAZRVFZEG-UHFFFAOYSA-N 0 0 186.258 2.394 10 30 AEEERN C=C[C@@H](O)[C@H](CC)Nc1ccccc1 238301011 572544504 /nfs/dbraw/zinc/54/45/04/572544504.db2.gz UMQPXNYADZOHPP-NWDGAFQWSA-N 0 0 191.274 2.424 10 30 AEEERN C=CC[C@@](CC)(CCC=O)C(=O)OC 238301145 572544519 /nfs/dbraw/zinc/54/45/19/572544519.db2.gz SMFGDGYJLYXARU-NSHDSACASA-N 0 0 198.262 2.111 10 30 AEEERN C#C[C@@](O)(/C=C\Cl)C(C)(C)C 307797185 572544596 /nfs/dbraw/zinc/54/45/96/572544596.db2.gz LYGSDSOXSUNBHV-ATJFRQLMSA-N 0 0 172.655 2.149 10 30 AEEERN CCc1c(N)cccc1C[C@@H](C)C=O 238301550 572544619 /nfs/dbraw/zinc/54/46/19/572544619.db2.gz NMEUMLJSWNIETA-SECBINFHSA-N 0 0 191.274 2.209 10 30 AEEERN C=C[C@@H]1CC[C@@H](C=C)C12CC[C@@H](O)O2 307581267 572544736 /nfs/dbraw/zinc/54/47/36/572544736.db2.gz CFEBVNXEFHQMLD-MXWKQRLJSA-N 0 0 194.274 2.252 10 30 AEEERN C#C[C@](O)(/C=C\Cl)C(C)(C)C 307797188 572544810 /nfs/dbraw/zinc/54/48/10/572544810.db2.gz LYGSDSOXSUNBHV-NMTCXDENSA-N 0 0 172.655 2.149 10 30 AEEERN CC[C@H](C#N)[C@@H](NC)c1ccccc1 238300066 572544913 /nfs/dbraw/zinc/54/49/13/572544913.db2.gz ZMFAVLRJRZFITH-ZYHUDNBSSA-N 0 0 188.274 2.497 10 30 AEEERN C=C[C@H](O)[C@H](CC)Nc1ccccc1 238300943 572544929 /nfs/dbraw/zinc/54/49/29/572544929.db2.gz UMQPXNYADZOHPP-RYUDHWBXSA-N 0 0 191.274 2.424 10 30 AEEERN C=CC[C@@](C=O)(CC)CCC(=O)OC 238301038 572544950 /nfs/dbraw/zinc/54/49/50/572544950.db2.gz URKRTSVOEWCYEE-NSHDSACASA-N 0 0 198.262 2.111 10 30 AEEERN C=CC[C@H]1OC(=O)N[C@H]1[C@@H](C)CC 238300939 572544973 /nfs/dbraw/zinc/54/49/73/572544973.db2.gz JFCNXKZGZYAETN-YIZRAAEISA-N 0 0 183.251 2.086 10 30 AEEERN C=C(C)[C@H](O)c1cc(F)ccc1OC 307571189 572545037 /nfs/dbraw/zinc/54/50/37/572545037.db2.gz DWHSJIAMOKNSQF-NSHDSACASA-N 0 0 196.221 2.444 10 30 AEEERN CCCCC=NNCCC 307797300 572545106 /nfs/dbraw/zinc/54/51/06/572545106.db2.gz UXYAYGXVDIUIMR-UHFFFAOYSA-N 0 0 142.246 2.162 10 30 AEEERN CCC(=O)OC1=CC(=O)C[C@@H](CC)C1 238300614 572545170 /nfs/dbraw/zinc/54/51/70/572545170.db2.gz PQQQELYQIRYSSF-MRVPVSSYSA-N 0 0 196.246 2.213 10 30 AEEERN C=C[C@H](O)[C@@]1(OC)CCC[C@@H](C)C1 307590627 572545220 /nfs/dbraw/zinc/54/52/20/572545220.db2.gz GPXVHQVUQPFLTG-OUAUKWLOSA-N 0 0 184.279 2.129 10 30 AEEERN C[C@@H]1Cc2cc(C#N)ccc2N(C)C1 74280276 572545833 /nfs/dbraw/zinc/54/58/33/572545833.db2.gz GHUGXMRXJKDZCD-SECBINFHSA-N 0 0 186.258 2.187 10 30 AEEERN C=CCc1noc(C(C)(C)C)n1 307512717 572545383 /nfs/dbraw/zinc/54/53/83/572545383.db2.gz NAMAIHREGRHNFE-UHFFFAOYSA-N 0 0 166.224 2.096 10 30 AEEERN CCOC(C)(C)[C@@H](C=O)CC 238303529 572545546 /nfs/dbraw/zinc/54/55/46/572545546.db2.gz CDWJLGGJGVJFLL-MRVPVSSYSA-N 0 0 158.241 2.027 10 30 AEEERN CC#C[C@@H](O)c1cc(C)sc1C 307599304 572545576 /nfs/dbraw/zinc/54/55/76/572545576.db2.gz QVFBXZSYBODBBE-SNVBAGLBSA-N 0 0 180.272 2.422 10 30 AEEERN CCc1c(O)cccc1C[C@H](C)C=O 238303303 572545588 /nfs/dbraw/zinc/54/55/88/572545588.db2.gz XBVUBHUUWWLGKZ-VIFPVBQESA-N 0 0 192.258 2.332 10 30 AEEERN C#C[C@H](O)C/C=C\C/C=C\CC 308059938 572547925 /nfs/dbraw/zinc/54/79/25/572547925.db2.gz VZUQMDBTDFHBLK-KWZSHNQISA-N 0 0 164.248 2.283 10 30 AEEERN CCOC(C)(C)[C@H](C=O)CC 238303388 572545726 /nfs/dbraw/zinc/54/57/26/572545726.db2.gz CDWJLGGJGVJFLL-QMMMGPOBSA-N 0 0 158.241 2.027 10 30 AEEERN CCOC(C)(CCCC=O)OCC 238303681 572545803 /nfs/dbraw/zinc/54/58/03/572545803.db2.gz ZHETXXMGQIKLER-UHFFFAOYSA-N 0 0 188.267 2.145 10 30 AEEERN CCO[C@@H](C(C)C)C(C)(C)C=O 238303678 572545852 /nfs/dbraw/zinc/54/58/52/572545852.db2.gz SLHAJUODUAUWBW-VIFPVBQESA-N 0 0 172.268 2.273 10 30 AEEERN C=CCO[C@@](C=O)(CC)C(F)(F)F 238305538 572545867 /nfs/dbraw/zinc/54/58/67/572545867.db2.gz RSLOTOMQRJRCOO-SSDOTTSWSA-N 0 0 196.168 2.099 10 30 AEEERN Cc1ncc(C#N)c2c1CC[C@@H](C)C2 74280390 572545884 /nfs/dbraw/zinc/54/58/84/572545884.db2.gz CMQLWWURBSIGPB-MRVPVSSYSA-N 0 0 186.258 2.387 10 30 AEEERN CCc1c(O)cccc1C[C@@H](C)C=O 238303264 572545894 /nfs/dbraw/zinc/54/58/94/572545894.db2.gz XBVUBHUUWWLGKZ-SECBINFHSA-N 0 0 192.258 2.332 10 30 AEEERN Cn1ccc(-c2cc(CC#N)co2)c1 74280634 572545990 /nfs/dbraw/zinc/54/59/90/572545990.db2.gz DUTHLARVANWTQL-UHFFFAOYSA-N 0 0 186.214 2.351 10 30 AEEERN C[C@@H](C#N)Cc1c[nH]c2cccnc12 74281471 572547650 /nfs/dbraw/zinc/54/76/50/572547650.db2.gz AZDQOYZWOYOPKB-MRVPVSSYSA-N 0 0 185.230 2.265 10 30 AEEERN CC[C@H](C)CC[C@H]1O[C@@]1(C)C=O 238310413 572547653 /nfs/dbraw/zinc/54/76/53/572547653.db2.gz IJZNHDBWXHVGBF-AEJSXWLSSA-N 0 0 170.252 2.169 10 30 AEEERN C#C[C@H](O)C/C=C/C/C=C\CC 308059939 572546313 /nfs/dbraw/zinc/54/63/13/572546313.db2.gz VZUQMDBTDFHBLK-QPJYNNIVSA-N 0 0 164.248 2.283 10 30 AEEERN C=C(CO)[C@H]1CC[C@H](C)[C@H]1C 307526029 572546505 /nfs/dbraw/zinc/54/65/05/572546505.db2.gz CFNMRAMHTRXHFP-FXBDTBDDSA-N 0 0 154.253 2.217 10 30 AEEERN C=CCc1cc(C)co1 307504824 572546553 /nfs/dbraw/zinc/54/65/53/572546553.db2.gz KPUMUWUZYMDBDU-UHFFFAOYSA-N 0 0 122.167 2.317 10 30 AEEERN C=C[C@H](O)c1ccc(C)cc1OC 307569281 572546617 /nfs/dbraw/zinc/54/66/17/572546617.db2.gz XAGBNMQTCPEPJS-JTQLQIEISA-N 0 0 178.231 2.223 10 30 AEEERN CCn1nccc1C#Cc1ccccc1 238308873 572546676 /nfs/dbraw/zinc/54/66/76/572546676.db2.gz ORHSXVPNNSGIMH-UHFFFAOYSA-N 0 0 196.253 2.303 10 30 AEEERN CCO[C@](C)(CC)[C@H](C)C=O 238305882 572546752 /nfs/dbraw/zinc/54/67/52/572546752.db2.gz GZQHOHLCBUIHSB-RKDXNWHRSA-N 0 0 158.241 2.027 10 30 AEEERN Cc1ncc(C#N)c2c1CC[C@H](C)C2 74280393 572546784 /nfs/dbraw/zinc/54/67/84/572546784.db2.gz CMQLWWURBSIGPB-QMMMGPOBSA-N 0 0 186.258 2.387 10 30 AEEERN CC[C@@H](C=O)CNc1ccccc1 238306730 572546855 /nfs/dbraw/zinc/54/68/55/572546855.db2.gz KAAHYCBJTXRGLG-SNVBAGLBSA-N 0 0 177.247 2.324 10 30 AEEERN C=CCN(CC(C)(C)C)OC 393475814 572546932 /nfs/dbraw/zinc/54/69/32/572546932.db2.gz GSKRSIVWGNXLHQ-UHFFFAOYSA-N 0 0 157.257 2.082 10 30 AEEERN C[C@H]1Cc2cc(C#N)ccc2N(C)C1 74280278 572546934 /nfs/dbraw/zinc/54/69/34/572546934.db2.gz GHUGXMRXJKDZCD-VIFPVBQESA-N 0 0 186.258 2.187 10 30 AEEERN C=CC[C@H](C(=O)NC)c1ccsc1 238309133 572546944 /nfs/dbraw/zinc/54/69/44/572546944.db2.gz QVEZMLWYVMEETB-VIFPVBQESA-N 0 0 195.287 2.154 10 30 AEEERN C=CC[C@@H](CC=C(C)C)C(=O)NC 238309071 572547052 /nfs/dbraw/zinc/54/70/52/572547052.db2.gz IEGHFHGSGRMCGB-JTQLQIEISA-N 0 0 181.279 2.281 10 30 AEEERN CC[C@H](CO)[C@@H](C#N)c1ccccc1 238310545 572547349 /nfs/dbraw/zinc/54/73/49/572547349.db2.gz LGQBXHLMVCULDF-ZYHUDNBSSA-N 0 0 189.258 2.312 10 30 AEEERN CC#C[C@@H](O)C1CCC(C)CC1 307572405 572547496 /nfs/dbraw/zinc/54/74/96/572547496.db2.gz DWENTRBGGCIXFS-VQXHTEKXSA-N 0 0 166.264 2.197 10 30 AEEERN CC1=C(c2cccnc2)CCC1=O 45496451 572547555 /nfs/dbraw/zinc/54/75/55/572547555.db2.gz BFAXFZRHASQEAL-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C=C1C=C2CC[C@H](C)C[C@@H]2[C@@H]1O 307565594 572547570 /nfs/dbraw/zinc/54/75/70/572547570.db2.gz CDTCHQSCGDXBJM-BKDNQFJXSA-N 0 0 164.248 2.280 10 30 AEEERN CC#C[C@H](O)c1cc(C)cc(C)c1 307558152 572547699 /nfs/dbraw/zinc/54/76/99/572547699.db2.gz VWCPAXKTYOPDBJ-LBPRGKRZSA-N 0 0 174.243 2.360 10 30 AEEERN Cc1ccc(C)c2c1C[C@@H](C#N)C2=O 74281573 572547708 /nfs/dbraw/zinc/54/77/08/572547708.db2.gz WUZBIGRQXVZXSK-VIFPVBQESA-N 0 0 185.226 2.182 10 30 AEEERN CC[C@H](C)CCC[C@]1(C)O[C@@H]1O 238309865 572547826 /nfs/dbraw/zinc/54/78/26/572547826.db2.gz MRBAATJHBYHDNJ-GUBZILKMSA-N 0 0 172.268 2.310 10 30 AEEERN CCC[C@@H](C)C=NNCC(F)F 308059912 572547831 /nfs/dbraw/zinc/54/78/31/572547831.db2.gz VYFOQDXYCVZSEK-SSDOTTSWSA-N 0 0 178.226 2.263 10 30 AEEERN CCC[C@H](C)C=NNCC(F)F 308059913 572547851 /nfs/dbraw/zinc/54/78/51/572547851.db2.gz VYFOQDXYCVZSEK-ZETCQYMHSA-N 0 0 178.226 2.263 10 30 AEEERN C=C[C@H](C)S[C@H](C)C(C)=O 307583454 572548028 /nfs/dbraw/zinc/54/80/28/572548028.db2.gz YOYHJUGFOBEQNI-POYBYMJQSA-N 0 0 158.266 2.272 10 30 AEEERN C=CCCC(=O)CC[C@@H](O)CC 238306461 572548373 /nfs/dbraw/zinc/54/83/73/572548373.db2.gz NGEDVCKENRGDKY-VIFPVBQESA-N 0 0 170.252 2.073 10 30 AEEERN C=CC[C@](C)(O)[C@@H]1CC1(C)C 307541532 572548129 /nfs/dbraw/zinc/54/81/29/572548129.db2.gz ODRONFLNYUPIEL-SCZZXKLOSA-N 0 0 154.253 2.360 10 30 AEEERN COCC(=NO)C1CCC(C)CC1 308059606 572548169 /nfs/dbraw/zinc/54/81/69/572548169.db2.gz BKGGKOPCEYAZJE-UHFFFAOYSA-N 0 0 185.267 2.289 10 30 AEEERN CCO[C@](C)(CC)[C@@H](C)C=O 238305858 572548214 /nfs/dbraw/zinc/54/82/14/572548214.db2.gz GZQHOHLCBUIHSB-DTWKUNHWSA-N 0 0 158.241 2.027 10 30 AEEERN C=C(C)[C@@]1(O)CCC1(C)C 307542925 572548342 /nfs/dbraw/zinc/54/83/42/572548342.db2.gz AMQSZYLPTYFCBP-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN CC[C@H](C)CC[C@@H]1O[C@@]1(C)C=O 238310214 572548411 /nfs/dbraw/zinc/54/84/11/572548411.db2.gz IJZNHDBWXHVGBF-GUBZILKMSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@H](C)CCC[C@@]1(C)O[C@@H]1O 238309786 572548510 /nfs/dbraw/zinc/54/85/10/572548510.db2.gz MRBAATJHBYHDNJ-LPEHRKFASA-N 0 0 172.268 2.310 10 30 AEEERN Cc1cc(C)c2c(c1)C(=O)[C@@H](C#N)C2 74281567 572548607 /nfs/dbraw/zinc/54/86/07/572548607.db2.gz GIENWHAXIKCQNZ-SECBINFHSA-N 0 0 185.226 2.182 10 30 AEEERN C#C[C@H](O)C/C=C\C/C=C/CC 308059937 572548738 /nfs/dbraw/zinc/54/87/38/572548738.db2.gz VZUQMDBTDFHBLK-KJLJTQIZSA-N 0 0 164.248 2.283 10 30 AEEERN C#C[C@H](O)C/C=C/C/C=C/CC 308059940 572548819 /nfs/dbraw/zinc/54/88/19/572548819.db2.gz VZUQMDBTDFHBLK-XEKHLOESSA-N 0 0 164.248 2.283 10 30 AEEERN C#Cc1nc2ccc(OC)cc2s1 307538854 572548856 /nfs/dbraw/zinc/54/88/56/572548856.db2.gz WVINCBONUVRGGB-UHFFFAOYSA-N 0 0 189.239 2.286 10 30 AEEERN C#CCCC[C@@H](O)CC(C)C 87522957 572548968 /nfs/dbraw/zinc/54/89/68/572548968.db2.gz WNLNIKQZNQZIOA-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN C=CC[C@H](C(=O)NC)c1cccs1 238309127 572549028 /nfs/dbraw/zinc/54/90/28/572549028.db2.gz VKIMLYKWSWONST-QMMMGPOBSA-N 0 0 195.287 2.154 10 30 AEEERN C#CCCCC(=O)CC(C)C 87521516 572549563 /nfs/dbraw/zinc/54/95/63/572549563.db2.gz QOOIIKDEERCSIS-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN C[C@H](C#N)Cc1c[nH]c2cccnc12 74281468 572549657 /nfs/dbraw/zinc/54/96/57/572549657.db2.gz AZDQOYZWOYOPKB-QMMMGPOBSA-N 0 0 185.230 2.265 10 30 AEEERN CC1=CC(=O)CC=CC=CC1 307801078 572549700 /nfs/dbraw/zinc/54/97/00/572549700.db2.gz WLAIQJRVPIEJCS-UHFFFAOYSA-N 0 0 148.205 2.408 10 30 AEEERN CC[C@H](CO)[C@H](C#N)c1ccccc1 238310712 572549715 /nfs/dbraw/zinc/54/97/15/572549715.db2.gz LGQBXHLMVCULDF-PWSUYJOCSA-N 0 0 189.258 2.312 10 30 AEEERN C=CC[C@@H]1CCCC(=O)[C@@H]1[C@@H](O)CC 238312222 572549829 /nfs/dbraw/zinc/54/98/29/572549829.db2.gz IOHKIUCXHVVPLM-SCVCMEIPSA-N 0 0 196.290 2.319 10 30 AEEERN C[C@@H](C#N)Cc1c[nH]c2cnccc12 74281467 572549897 /nfs/dbraw/zinc/54/98/97/572549897.db2.gz RHFHRNGQWGOLOP-MRVPVSSYSA-N 0 0 185.230 2.265 10 30 AEEERN C#CCCC[C@H](O)CC(C)C 87522959 572549961 /nfs/dbraw/zinc/54/99/61/572549961.db2.gz WNLNIKQZNQZIOA-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN CC[C@H](CO)/N=C(/C)c1ccccc1 238310955 572550359 /nfs/dbraw/zinc/55/03/59/572550359.db2.gz YARSPYLCGVVUAD-YGYTWAPGSA-N 0 0 191.274 2.267 10 30 AEEERN CCCC(/C=C\Cl)=NN(C)C 307803168 572550642 /nfs/dbraw/zinc/55/06/42/572550642.db2.gz RPGUSYXHZBWJQV-YFWNPAQZSA-N 0 0 174.675 2.457 10 30 AEEERN C=C[C@@]12C=C(OC)[C@@H](CC1)C[C@@H]2CO 307578482 572550760 /nfs/dbraw/zinc/55/07/60/572550760.db2.gz NVRADKJHTABJPY-UMNHJUIQSA-N 0 0 194.274 2.111 10 30 AEEERN CCC[C@H](C#N)C(=O)C1CCC1 84428166 572550966 /nfs/dbraw/zinc/55/09/66/572550966.db2.gz QAWZHGOCRPAAHY-SECBINFHSA-N 0 0 165.236 2.295 10 30 AEEERN CCOC(OCC)C(C)(C)CC=O 238310583 572551095 /nfs/dbraw/zinc/55/10/95/572551095.db2.gz ROIRRMBJAWFDAG-UHFFFAOYSA-N 0 0 188.267 2.001 10 30 AEEERN C=C1ON2C(C)(C)CC[C@]2(C)[C@@H]1C#N 251184258 572551316 /nfs/dbraw/zinc/55/13/16/572551316.db2.gz RNLURJQKVMJCMM-MWLCHTKSSA-N 0 0 192.262 2.218 10 30 AEEERN C#CCN(CC)c1ccc(C)c(N)c1 307589571 572551342 /nfs/dbraw/zinc/55/13/42/572551342.db2.gz AMNOIAJHSZYRQJ-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN C=CC[C@@](C)(O)[C@H]1CC1(C)C 307541534 572551536 /nfs/dbraw/zinc/55/15/36/572551536.db2.gz ODRONFLNYUPIEL-WCBMZHEXSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1ON2C(C)(C)CC[C@@]2(C)[C@@H]1C#N 251184253 572551644 /nfs/dbraw/zinc/55/16/44/572551644.db2.gz RNLURJQKVMJCMM-KOLCDFICSA-N 0 0 192.262 2.218 10 30 AEEERN CCCC(/C=C/Cl)=NN(C)C 307803166 572551814 /nfs/dbraw/zinc/55/18/14/572551814.db2.gz RPGUSYXHZBWJQV-OAFDFZECSA-N 0 0 174.675 2.457 10 30 AEEERN CCCC(O)=C(Br)C=O 307801702 572552349 /nfs/dbraw/zinc/55/23/49/572552349.db2.gz HQIHAOUNUAUGSA-SNAWJCMRSA-N 0 0 193.040 2.150 10 30 AEEERN CCC(=NOC)C(C)C 307807884 572553283 /nfs/dbraw/zinc/55/32/83/572553283.db2.gz IAQVXFKAJHNXMK-UHFFFAOYSA-N 0 0 129.203 2.055 10 30 AEEERN CCn1cc(C#Cc2ccccc2)cn1 238314097 572553291 /nfs/dbraw/zinc/55/32/91/572553291.db2.gz XPNAWIFAFBEFMW-UHFFFAOYSA-N 0 0 196.253 2.303 10 30 AEEERN C=CC/C(=C/CCO)CC 307805593 572553485 /nfs/dbraw/zinc/55/34/85/572553485.db2.gz MIVGJHPIHCCMEY-VQHVLOKHSA-N 0 0 140.226 2.281 10 30 AEEERN C=C[C@@H](C/C=C/C)C(=S)NC 307558929 572553648 /nfs/dbraw/zinc/55/36/48/572553648.db2.gz KJDNDCSJSPWPQZ-JQTRYQTASA-N 0 0 169.293 2.302 10 30 AEEERN N#Cc1ccccc1-c1cocn1 117299931 572553701 /nfs/dbraw/zinc/55/37/01/572553701.db2.gz UFISLOSIPHONFS-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN C=CCC1=C(OCC)CCC1=O 238316887 572554720 /nfs/dbraw/zinc/55/47/20/572554720.db2.gz ONGOUUIHUVHAGE-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN CC[C@@H](C(C)=O)[C@](C)(C=O)CC 238317253 572554830 /nfs/dbraw/zinc/55/48/30/572554830.db2.gz NJFKGMBVZLFYGH-UWVGGRQHSA-N 0 0 170.252 2.217 10 30 AEEERN C#C[C@H](CC)[C@H](O)Cc1ccccc1 238313954 572554918 /nfs/dbraw/zinc/55/49/18/572554918.db2.gz QGEIMRIJEYMWHR-CHWSQXEVSA-N 0 0 188.270 2.249 10 30 AEEERN CCOC1=C(CC)C(=O)[C@@H]1CC 238316854 572554972 /nfs/dbraw/zinc/55/49/72/572554972.db2.gz NBZSQCNQCQSLED-ZETCQYMHSA-N 0 0 168.236 2.296 10 30 AEEERN CC(CC/C=C\Cl)=NO 307805080 572555057 /nfs/dbraw/zinc/55/50/57/572555057.db2.gz FQKNIYBAGQGTTJ-YNVOBBJPSA-N 0 0 147.605 2.369 10 30 AEEERN CC(CC/C=C/Cl)=NO 307805079 572555085 /nfs/dbraw/zinc/55/50/85/572555085.db2.gz FQKNIYBAGQGTTJ-PTODIWPFSA-N 0 0 147.605 2.369 10 30 AEEERN CC=CC(=O)C(=CC)CC 307805380 572555118 /nfs/dbraw/zinc/55/51/18/572555118.db2.gz BBZXSLQHJFZEBE-VMPITWQZSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC[NH2+]C(/C=C/C)/C=C/C 307805291 572555145 /nfs/dbraw/zinc/55/51/45/572555145.db2.gz TZBCZFUWOMXHQC-NSLJXJERSA-N 0 0 151.253 2.283 10 30 AEEERN C=C(CO)CCC/C=C\C 307805832 572555179 /nfs/dbraw/zinc/55/51/79/572555179.db2.gz MZAPTNLDEPSJGE-ARJAWSKDSA-N 0 0 140.226 2.281 10 30 AEEERN CCC(CC)CC=NOC 307805523 572555450 /nfs/dbraw/zinc/55/54/50/572555450.db2.gz BKPAJSPAMOJIMQ-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN CC[C@@H](C#N)[C@H](NC)c1ccccc1 238315467 572555473 /nfs/dbraw/zinc/55/54/73/572555473.db2.gz ZMFAVLRJRZFITH-JQWIXIFHSA-N 0 0 188.274 2.497 10 30 AEEERN C=C(C)CONC1CCCC1 307566905 572555600 /nfs/dbraw/zinc/55/56/00/572555600.db2.gz PDZGXXQKZAOHLQ-UHFFFAOYSA-N 0 0 155.241 2.026 10 30 AEEERN CC[C@@H](C(C)=O)[C@@](C)(C=O)CC 238317266 572555671 /nfs/dbraw/zinc/55/56/71/572555671.db2.gz NJFKGMBVZLFYGH-VHSXEESVSA-N 0 0 170.252 2.217 10 30 AEEERN CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)C=O 238317915 572555701 /nfs/dbraw/zinc/55/57/01/572555701.db2.gz CSGXFEAZCKIDDB-XWLWVQCSSA-N 0 0 186.295 2.255 10 30 AEEERN C=CC[C@@H](CC(C)C)NC(=O)OC 238316409 572555896 /nfs/dbraw/zinc/55/58/96/572555896.db2.gz GUPWOFNPJDJLKB-VIFPVBQESA-N 0 0 185.267 2.333 10 30 AEEERN C=CC[C@@H]1CCCC(=O)[C@H]1[C@@H](O)CC 238315651 572555872 /nfs/dbraw/zinc/55/58/72/572555872.db2.gz IOHKIUCXHVVPLM-JFGNBEQYSA-N 0 0 196.290 2.319 10 30 AEEERN CCOC1=C(CC)C(=O)[C@H]1CC 238316867 572555992 /nfs/dbraw/zinc/55/59/92/572555992.db2.gz NBZSQCNQCQSLED-SSDOTTSWSA-N 0 0 168.236 2.296 10 30 AEEERN CCC(C)(C)C=NOC 307804769 572556100 /nfs/dbraw/zinc/55/61/00/572556100.db2.gz HEADNIVETPJEJR-UHFFFAOYSA-N 0 0 129.203 2.055 10 30 AEEERN CCON=CC(C)(C)C 307806289 572556134 /nfs/dbraw/zinc/55/61/34/572556134.db2.gz HPQWSAQYOXKGMG-UHFFFAOYSA-N 0 0 129.203 2.055 10 30 AEEERN C=CC[C@H](C[C@@H](C)CC)C(N)=O 238316734 572556213 /nfs/dbraw/zinc/55/62/13/572556213.db2.gz NJERQHXNCRTATH-DTWKUNHWSA-N 0 0 169.268 2.100 10 30 AEEERN CC[C@@H](C#N)[C@@H](NC)c1ccccc1 238315328 572556326 /nfs/dbraw/zinc/55/63/26/572556326.db2.gz ZMFAVLRJRZFITH-CMPLNLGQSA-N 0 0 188.274 2.497 10 30 AEEERN C=C[C@H](OC(C)=O)C(C)(C)C 307557830 572556545 /nfs/dbraw/zinc/55/65/45/572556545.db2.gz CHSYAHJLUGUIJT-QMMMGPOBSA-N 0 0 156.225 2.150 10 30 AEEERN C=CC[C@@H](C[C@@H](C)CC)C(N)=O 238318538 572556757 /nfs/dbraw/zinc/55/67/57/572556757.db2.gz NJERQHXNCRTATH-IUCAKERBSA-N 0 0 169.268 2.100 10 30 AEEERN C=CCCOc1cccnc1F 87542557 572560604 /nfs/dbraw/zinc/56/06/04/572560604.db2.gz GRWKXFCHRPFCOK-UHFFFAOYSA-N 0 0 167.183 2.176 10 30 AEEERN C=C1CC[C@H](O)[C@H]2CCCC[C@]2(O)C1 307579913 572557065 /nfs/dbraw/zinc/55/70/65/572557065.db2.gz QNFFPSLRBGHPMI-WOPDTQHZSA-N 0 0 196.290 2.009 10 30 AEEERN C=CC[C@](C)(O)[C@H]1CC1(C)C 307541536 572557222 /nfs/dbraw/zinc/55/72/22/572557222.db2.gz ODRONFLNYUPIEL-WPRPVWTQSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)/C=C(/CO)C(C)C 307808087 572557561 /nfs/dbraw/zinc/55/75/61/572557561.db2.gz NRWKWHGSTNYWSC-UITAMQMPSA-N 0 0 140.226 2.137 10 30 AEEERN C=CC[C@H](CC(C)C)NC(=O)OC 238320153 572557721 /nfs/dbraw/zinc/55/77/21/572557721.db2.gz GUPWOFNPJDJLKB-SECBINFHSA-N 0 0 185.267 2.333 10 30 AEEERN C#CCOc1cc(F)c(F)cc1F 307582037 572557782 /nfs/dbraw/zinc/55/77/82/572557782.db2.gz TXIAKOGFJYGMJS-UHFFFAOYSA-N 0 0 186.132 2.116 10 30 AEEERN CC[C@H](C)C[C@]1(C=O)O[C@@H]1CC 238319284 572558173 /nfs/dbraw/zinc/55/81/73/572558173.db2.gz IBVUXTUISOOPOW-IVZWLZJFSA-N 0 0 170.252 2.169 10 30 AEEERN C=CC[C@@]1(NC(=O)OC)CC=CCC1 238319131 572558240 /nfs/dbraw/zinc/55/82/40/572558240.db2.gz LHOPCUCJFZHCQQ-LLVKDONJSA-N 0 0 195.262 2.397 10 30 AEEERN C#C[C@@]1(C)CC[C@]1(C)C#C 307558047 572558339 /nfs/dbraw/zinc/55/83/39/572558339.db2.gz MGFYCDJOIUYSOK-UWVGGRQHSA-N 0 0 132.206 2.059 10 30 AEEERN C[C@H](C#N)Cc1nc(C2CCC2)no1 235150084 572558508 /nfs/dbraw/zinc/55/85/08/572558508.db2.gz DVMFBPCFCMNGBH-ZETCQYMHSA-N 0 0 191.234 2.039 10 30 AEEERN C=C1[C@H](O)CCC(C)(C)[C@H]1C(=O)CC 307583638 572558702 /nfs/dbraw/zinc/55/87/02/572558702.db2.gz ZHLSGIDBSZIYPF-GHMZBOCLSA-N 0 0 196.290 2.319 10 30 AEEERN C[C@@H]1CCc2ccccc2C1=NO 308061402 572558984 /nfs/dbraw/zinc/55/89/84/572558984.db2.gz DYLQYZJYWKXWFZ-MRVPVSSYSA-N 0 0 175.231 2.447 10 30 AEEERN C=C(Cl)CC/C(C)=C\CO 307808018 572559048 /nfs/dbraw/zinc/55/90/48/572559048.db2.gz NOXKBYBLKZKLQO-ALCCZGGFSA-N 0 0 160.644 2.458 10 30 AEEERN C=C[C@@H]1[C@@H]2C(=O)[C@@H]3CCC[C@H]3[C@H]12 307584722 572559193 /nfs/dbraw/zinc/55/91/93/572559193.db2.gz JJWOXHPJERFHSY-MBXMOIHESA-N 0 0 162.232 2.034 10 30 AEEERN N#CCCCOc1ccc(Cl)nc1 87543211 572559324 /nfs/dbraw/zinc/55/93/24/572559324.db2.gz DOWZSFVKMXCRDW-UHFFFAOYSA-N 0 0 196.637 2.418 10 30 AEEERN C=C[C@@H](C#CC)[C@@H](O)C(C)(C)C 307538347 572559458 /nfs/dbraw/zinc/55/94/58/572559458.db2.gz KFHDRRMRQUBMRK-VHSXEESVSA-N 0 0 166.264 2.219 10 30 AEEERN CC[P@@](=O)(CCC=O)OC(C)C 238323025 572559474 /nfs/dbraw/zinc/55/94/74/572559474.db2.gz QVADYNRBIXZPOC-LBPRGKRZSA-N 0 0 192.195 2.298 10 30 AEEERN C[C@H]1CCc2ccccc2C1=NO 308061405 572559557 /nfs/dbraw/zinc/55/95/57/572559557.db2.gz DYLQYZJYWKXWFZ-QMMMGPOBSA-N 0 0 175.231 2.447 10 30 AEEERN C=C[C@@H](C)SC[C@@H]1CCCO1 307568845 572559844 /nfs/dbraw/zinc/55/98/44/572559844.db2.gz URSYPPUUGBIOFP-BDAKNGLRSA-N 0 0 172.293 2.473 10 30 AEEERN C=C1C=C2CC[C@H](C)C[C@@H]2[C@H]1O 307522710 572560069 /nfs/dbraw/zinc/56/00/69/572560069.db2.gz CDTCHQSCGDXBJM-SWPVVBRQSA-N 0 0 164.248 2.280 10 30 AEEERN C=CC[C@H](O)c1c(F)cccc1OC 87544965 572560081 /nfs/dbraw/zinc/56/00/81/572560081.db2.gz KJWLIBXINMYMPC-VIFPVBQESA-N 0 0 196.221 2.444 10 30 AEEERN CCOCOc1cccc(F)c1C#N 87543658 572560424 /nfs/dbraw/zinc/56/04/24/572560424.db2.gz DXBGFZOXYFIDOK-UHFFFAOYSA-N 0 0 195.193 2.070 10 30 AEEERN C/C=C/COCc1cccnc1C#N 61664968 572560566 /nfs/dbraw/zinc/56/05/66/572560566.db2.gz AZVADPSQWRKPFK-NSCUHMNNSA-N 0 0 188.230 2.046 10 30 AEEERN C#C[C@H](C)OC(=O)c1ccoc1Cl 307581831 572560945 /nfs/dbraw/zinc/56/09/45/572560945.db2.gz SJSOEFLWCFAIBP-LURJTMIESA-N 0 0 198.605 2.112 10 30 AEEERN C=C1[C@@H](C(=O)CC)C(C)(C)CC[C@H]1O 307583639 572560968 /nfs/dbraw/zinc/56/09/68/572560968.db2.gz ZHLSGIDBSZIYPF-MNOVXSKESA-N 0 0 196.290 2.319 10 30 AEEERN C=C[C@]1(C=O)CC=C(COC)CC1 238327158 572561118 /nfs/dbraw/zinc/56/11/18/572561118.db2.gz GZJDZBDHWFVFRR-NSHDSACASA-N 0 0 180.247 2.114 10 30 AEEERN N#CCCCCOc1cccnc1F 87542515 572561238 /nfs/dbraw/zinc/56/12/38/572561238.db2.gz KIQDAIDQIIXYBJ-UHFFFAOYSA-N 0 0 194.209 2.293 10 30 AEEERN CC[C@H](C)OCc1cccnc1C#N 61664919 572561379 /nfs/dbraw/zinc/56/13/79/572561379.db2.gz IDMKAGXONCFDHW-VIFPVBQESA-N 0 0 190.246 2.268 10 30 AEEERN N#CC1(Cl)Cc2ccccc2C1 45626939 572561632 /nfs/dbraw/zinc/56/16/32/572561632.db2.gz HQBXILLSDPFAKO-UHFFFAOYSA-N 0 0 177.634 2.286 10 30 AEEERN C=C[C@@]1(C=O)CC=C(COC)CC1 238327132 572561637 /nfs/dbraw/zinc/56/16/37/572561637.db2.gz GZJDZBDHWFVFRR-LLVKDONJSA-N 0 0 180.247 2.114 10 30 AEEERN C=C1CC[C@]2(CO)[C@@H]3CCC[C@@H]3[C@H]12 307531316 572562109 /nfs/dbraw/zinc/56/21/09/572562109.db2.gz WZBVGUUXEVONRT-USZNOCQGSA-N 0 0 178.275 2.361 10 30 AEEERN CC(=O)/C=C/c1ccc(Cl)cn1 114514945 572562144 /nfs/dbraw/zinc/56/21/44/572562144.db2.gz MPFRARFZWNRZAU-DUXPYHPUSA-N 0 0 181.622 2.337 10 30 AEEERN CCC(Cl)(C#N)CC 45626900 572562238 /nfs/dbraw/zinc/56/22/38/572562238.db2.gz JZEXAGJTBPPICY-UHFFFAOYSA-N 0 0 131.606 2.308 10 30 AEEERN C=C(CCC=O)CCCCC(=O)OC 238325516 572562350 /nfs/dbraw/zinc/56/23/50/572562350.db2.gz MCUXTXPXVYYXOB-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN COC(C)(C)C[C@@](C)(Cl)C#N 45626732 572562481 /nfs/dbraw/zinc/56/24/81/572562481.db2.gz VUPDKJMZBYCLCC-MRVPVSSYSA-N 0 0 175.659 2.323 10 30 AEEERN COC(C)(C)C[C@](C)(Cl)C#N 45626731 572562485 /nfs/dbraw/zinc/56/24/85/572562485.db2.gz VUPDKJMZBYCLCC-QMMMGPOBSA-N 0 0 175.659 2.323 10 30 AEEERN CN(C)c1ccc2c(CC#N)c[nH]c2c1 238331355 572562589 /nfs/dbraw/zinc/56/25/89/572562589.db2.gz SEXFFSDCKZSIBX-UHFFFAOYSA-N 0 0 199.257 2.300 10 30 AEEERN C=C[C@H](O)[C@@]1(OC)CCC[C@H](C)C1 307590625 572562680 /nfs/dbraw/zinc/56/26/80/572562680.db2.gz GPXVHQVUQPFLTG-GARJFASQSA-N 0 0 184.279 2.129 10 30 AEEERN C=C[C@H](C)S[C@@H](C)C(C)=O 307583456 572562902 /nfs/dbraw/zinc/56/29/02/572562902.db2.gz YOYHJUGFOBEQNI-XPUUQOCRSA-N 0 0 158.266 2.272 10 30 AEEERN C=C[C@H]1CCCC(=O)[C@@H]1C 222285348 572563120 /nfs/dbraw/zinc/56/31/20/572563120.db2.gz UGJCRMODBGLHAT-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(CO)[C@@H]1CC[C@H](C)[C@@H]1C 307522745 572563010 /nfs/dbraw/zinc/56/30/10/572563010.db2.gz CFNMRAMHTRXHFP-HGNGGELXSA-N 0 0 154.253 2.217 10 30 AEEERN C=C[C@@H]1CCCC(=O)[C@H]1C 222285282 572563732 /nfs/dbraw/zinc/56/37/32/572563732.db2.gz UGJCRMODBGLHAT-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CCC[C@](C)(Cl)C#N 45626737 572563758 /nfs/dbraw/zinc/56/37/58/572563758.db2.gz JAZZECNZKLHOGJ-LURJTMIESA-N 0 0 131.606 2.308 10 30 AEEERN COC[C@H](c1ccccc1)[C@H](C)C=O 238329621 572563759 /nfs/dbraw/zinc/56/37/59/572563759.db2.gz XJLACXWXUGWFIF-PWSUYJOCSA-N 0 0 192.258 2.252 10 30 AEEERN C[C@@H]1CCc2cc(CC#N)ccc2O1 214484083 572563828 /nfs/dbraw/zinc/56/38/28/572563828.db2.gz NCQYGXHUHVCFMT-SECBINFHSA-N 0 0 187.242 2.466 10 30 AEEERN N#C[C@]1(Cl)CCOc2ccccc21 45626743 572563988 /nfs/dbraw/zinc/56/39/88/572563988.db2.gz LNBCIOOUVBNRNW-SNVBAGLBSA-N 0 0 193.633 2.427 10 30 AEEERN COCCCC1=C(C)CCC1=O 238332316 572564041 /nfs/dbraw/zinc/56/40/41/572564041.db2.gz GOQZVURVTLAKJB-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN C=C[C@@H]1CCCC(=O)[C@@H]1C 222285224 572564044 /nfs/dbraw/zinc/56/40/44/572564044.db2.gz UGJCRMODBGLHAT-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C=C/C=C/C[C@H](C=C)[C@@H](O)CCOC 238330034 572564154 /nfs/dbraw/zinc/56/41/54/572564154.db2.gz YGBZZJVCESMZAY-KZQRZKTQSA-N 0 0 196.290 2.318 10 30 AEEERN N#Cc1ccc(Cc2ccco2)nc1 74283965 572564181 /nfs/dbraw/zinc/56/41/81/572564181.db2.gz DDGJHZUBTMIQEM-UHFFFAOYSA-N 0 0 184.198 2.137 10 30 AEEERN COC[C@H](c1ccccc1)[C@@H](C)C=O 238329578 572564195 /nfs/dbraw/zinc/56/41/95/572564195.db2.gz XJLACXWXUGWFIF-JQWIXIFHSA-N 0 0 192.258 2.252 10 30 AEEERN C=C[C@H](C)N[C@H](C)C(F)(F)F 307545298 572564196 /nfs/dbraw/zinc/56/41/96/572564196.db2.gz ARCSPLNLCKYJLT-NTSWFWBYSA-N 0 0 167.174 2.101 10 30 AEEERN N#CC1(Cl)CCCC1 45626833 572564344 /nfs/dbraw/zinc/56/43/44/572564344.db2.gz TUAGXRRRBSXKCD-UHFFFAOYSA-N 0 0 129.590 2.062 10 30 AEEERN CCC[C@@](C)(Cl)C#N 45626738 572564587 /nfs/dbraw/zinc/56/45/87/572564587.db2.gz JAZZECNZKLHOGJ-ZCFIWIBFSA-N 0 0 131.606 2.308 10 30 AEEERN N#C[C@@]1(Cl)CCOc2ccccc21 45626744 572564727 /nfs/dbraw/zinc/56/47/27/572564727.db2.gz LNBCIOOUVBNRNW-JTQLQIEISA-N 0 0 193.633 2.427 10 30 AEEERN C=CCC[C@H](C)/C=C\CO 307816704 572564732 /nfs/dbraw/zinc/56/47/32/572564732.db2.gz UPNVTBOZCQTMMC-PGBBXKAQSA-N 0 0 140.226 2.137 10 30 AEEERN CCC#C[C@@H](C)N[C@H](C)c1ccon1 306176391 572564769 /nfs/dbraw/zinc/56/47/69/572564769.db2.gz NTIFPNNUAAHAHA-NXEZZACHSA-N 0 0 192.262 2.127 10 30 AEEERN N#CC1(Cl)CCSCC1 45626964 572564852 /nfs/dbraw/zinc/56/48/52/572564852.db2.gz HJLDYOILEYWRES-UHFFFAOYSA-N 0 0 161.657 2.015 10 30 AEEERN C#CC[C@@H](O)[C@@H]1CC2CCC1CC2 306150729 572564862 /nfs/dbraw/zinc/56/48/62/572564862.db2.gz GADWPJMQZCYLEQ-KIDURHIOSA-N 0 0 178.275 2.197 10 30 AEEERN C=C[C@@H](C)Sc1ncco1 306167893 572565020 /nfs/dbraw/zinc/56/50/20/572565020.db2.gz JHCLGQMZQQFPIR-ZCFIWIBFSA-N 0 0 155.222 2.341 10 30 AEEERN C=C(CO)[C@@H]1CC[C@@H](C)[C@H]1C 307522750 572565057 /nfs/dbraw/zinc/56/50/57/572565057.db2.gz CFNMRAMHTRXHFP-QNSHHTMESA-N 0 0 154.253 2.217 10 30 AEEERN CC(C)[C@@](C)(Cl)C#N 45626763 572565069 /nfs/dbraw/zinc/56/50/69/572565069.db2.gz JZSAUTKCSWHLQS-LURJTMIESA-N 0 0 131.606 2.163 10 30 AEEERN C#C[C@H](O)c1cc(F)ccc1Cl 307557827 572565126 /nfs/dbraw/zinc/56/51/26/572565126.db2.gz CHHRDKDJIKCAKK-VIFPVBQESA-N 0 0 184.597 2.146 10 30 AEEERN C=CC/C(=C/CC)CCO 307817644 572566394 /nfs/dbraw/zinc/56/63/94/572566394.db2.gz VLXKMNMUEIUNHL-TWGQIWQCSA-N 0 0 140.226 2.281 10 30 AEEERN C=C[C@@H](C)S[C@@H]1CCCOC1 306188615 572565400 /nfs/dbraw/zinc/56/54/00/572565400.db2.gz OOMFOWVVASGWOK-RKDXNWHRSA-N 0 0 172.293 2.473 10 30 AEEERN C=C(C)/C(Cl)=C\CCO 307817069 572565551 /nfs/dbraw/zinc/56/55/51/572565551.db2.gz VDRZVGVXJQXQIT-QPJJXVBHSA-N 0 0 146.617 2.068 10 30 AEEERN CC(C)[C@](C)(Cl)C#N 45626762 572565552 /nfs/dbraw/zinc/56/55/52/572565552.db2.gz JZSAUTKCSWHLQS-ZCFIWIBFSA-N 0 0 131.606 2.163 10 30 AEEERN C=C1CC[C@@H](OC)[C@H](C)CC[C@H]1O 307591276 572565853 /nfs/dbraw/zinc/56/58/53/572565853.db2.gz HDMMWOLSLZUQAP-GMTAPVOTSA-N 0 0 184.279 2.129 10 30 AEEERN CC(C)C[C@H](C)C=NO 307818492 572565877 /nfs/dbraw/zinc/56/58/77/572565877.db2.gz WDBFLTJIJQFWRH-ZETCQYMHSA-N 0 0 129.203 2.129 10 30 AEEERN C=CCSc1cc(C#N)ccc1N 306190412 572566089 /nfs/dbraw/zinc/56/60/89/572566089.db2.gz LKVAEQWDGQJMIS-UHFFFAOYSA-N 0 0 190.271 2.419 10 30 AEEERN C=CCC(=O)c1ccc2c(n1)CCC2 306193820 572566211 /nfs/dbraw/zinc/56/62/11/572566211.db2.gz VBAXLOTZRZSHKE-UHFFFAOYSA-N 0 0 187.242 2.329 10 30 AEEERN C=C1[C@H]([C@@H](O)C(C)C)C12CCC2 306148926 572566519 /nfs/dbraw/zinc/56/65/19/572566519.db2.gz CSKSFXHZSWRDGV-ZJUUUORDSA-N 0 0 166.264 2.360 10 30 AEEERN C#C[C@@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1O 306184301 572566892 /nfs/dbraw/zinc/56/68/92/572566892.db2.gz LHWLUBPMYHDANV-RHYQMDGZSA-N 0 0 178.275 2.197 10 30 AEEERN C#C[C@](O)(CC)c1cccc(C)c1 306180845 572566984 /nfs/dbraw/zinc/56/69/84/572566984.db2.gz MPYDXKMRTAKQEM-LBPRGKRZSA-N 0 0 174.243 2.226 10 30 AEEERN C=CCN(C)c1cc(F)c(F)cc1N 307542976 572567115 /nfs/dbraw/zinc/56/71/15/572567115.db2.gz DUVLYMDHQDRAQQ-UHFFFAOYSA-N 0 0 198.216 2.169 10 30 AEEERN CC1=CC2=CCCC[C@@H]2C1=O 45793147 572567300 /nfs/dbraw/zinc/56/73/00/572567300.db2.gz HSGDCDUSGAXMOG-VIFPVBQESA-N 0 0 148.205 2.242 10 30 AEEERN CC#CC[C@]1(C)CCC[C@@]1(C)O 306166801 572567504 /nfs/dbraw/zinc/56/75/04/572567504.db2.gz PXBCSNMXPGZTEC-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@H](C#N)N1CCC=C(Cl)C1 404478384 572567593 /nfs/dbraw/zinc/56/75/93/572567593.db2.gz QMFPMWVNAMDSDA-SECBINFHSA-N 0 0 184.670 2.117 10 30 AEEERN C=C[C@H]1[C@@H]2C(=O)[C@H]3CCC[C@H]3[C@@H]21 307575173 572567614 /nfs/dbraw/zinc/56/76/14/572567614.db2.gz JJWOXHPJERFHSY-ZJDVBMNYSA-N 0 0 162.232 2.034 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564407 572567641 /nfs/dbraw/zinc/56/76/41/572567641.db2.gz XKELRZYABAFJHK-KJLIAQIISA-N 0 0 191.274 2.397 10 30 AEEERN O=C1C=CC=CCC=CC1 307818204 572567675 /nfs/dbraw/zinc/56/76/75/572567675.db2.gz MOOIPECOSRNTEI-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN CC#C[C@]1(O)C[C@H](C)c2ccccc21 306167599 572567730 /nfs/dbraw/zinc/56/77/30/572567730.db2.gz DPZTXAXMONWWEC-GWCFXTLKSA-N 0 0 186.254 2.405 10 30 AEEERN C=C[C@H](C)S[C@H]1CCCOC1 306188614 572567778 /nfs/dbraw/zinc/56/77/78/572567778.db2.gz OOMFOWVVASGWOK-IUCAKERBSA-N 0 0 172.293 2.473 10 30 AEEERN C#CCCC[C@@]1(O)CCC1(C)C 307569312 572567821 /nfs/dbraw/zinc/56/78/21/572567821.db2.gz XDMYDCPKDHYKCW-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C=C(C)COc1ccc(C)nc1C=O 84668098 572568045 /nfs/dbraw/zinc/56/80/45/572568045.db2.gz IIPIYCDDNVKGKJ-UHFFFAOYSA-N 0 0 191.230 2.157 10 30 AEEERN CC[C@H](C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564404 572568084 /nfs/dbraw/zinc/56/80/84/572568084.db2.gz KTLMQZRRKXPULU-HNJRMYHASA-N 0 0 177.247 2.151 10 30 AEEERN C=C[C@H]1CC(C)=CC[C@H]1C=O 45793475 572568618 /nfs/dbraw/zinc/56/86/18/572568618.db2.gz FRYAJVDCFMJVSM-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN CC/C=C\C(=O)C1CCC1 307826500 572568723 /nfs/dbraw/zinc/56/87/23/572568723.db2.gz GZHAJRFOUVLHHY-CLTKARDFSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@H](C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564401 572568797 /nfs/dbraw/zinc/56/87/97/572568797.db2.gz KTLMQZRRKXPULU-IZJGZUANSA-N 0 0 177.247 2.151 10 30 AEEERN Cc1ccc([C@@H]2C[C@H]2C=O)cc1 45793345 572568821 /nfs/dbraw/zinc/56/88/21/572568821.db2.gz NSAPRDVGOYZLEC-QWRGUYRKSA-N 0 0 160.216 2.297 10 30 AEEERN C=CCC[C@H](O)/C=C\CC 307825073 572568884 /nfs/dbraw/zinc/56/88/84/572568884.db2.gz FVEULAIRVHEBOM-XZLDQRQTSA-N 0 0 140.226 2.280 10 30 AEEERN O=C[C@H]1CC=C[C@H]2CCC[C@H]12 45793499 572568885 /nfs/dbraw/zinc/56/88/85/572568885.db2.gz DVHNTRZYIBVUCZ-AEJSXWLSSA-N 0 0 150.221 2.178 10 30 AEEERN C#CC[C@H](O)[C@@H]1CC2CCC1CC2 306150728 572568889 /nfs/dbraw/zinc/56/88/89/572568889.db2.gz GADWPJMQZCYLEQ-HCWSGVFWSA-N 0 0 178.275 2.197 10 30 AEEERN C=CCNc1cccc(OCC)n1 84686999 572568908 /nfs/dbraw/zinc/56/89/08/572568908.db2.gz CJGDSAYQPOUDQD-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN CC[C@@]1(C=O)C[C@H]2C=C[C@@H]1C2 45793484 572568975 /nfs/dbraw/zinc/56/89/75/572568975.db2.gz QOZQBVVQOKPJLC-AEJSXWLSSA-N 0 0 150.221 2.178 10 30 AEEERN N#C[C@@H](OC(F)F)c1ccccc1 71617528 572574361 /nfs/dbraw/zinc/57/43/61/572574361.db2.gz CRUIZKRMCOQXHR-MRVPVSSYSA-N 0 0 183.157 2.490 10 30 AEEERN CO[C@H](C#N)c1cc(F)ccc1C 234767171 572569393 /nfs/dbraw/zinc/56/93/93/572569393.db2.gz OFOCUGGLBRKGGO-SNVBAGLBSA-N 0 0 179.194 2.345 10 30 AEEERN C#C[C@H](O)[C@@H]1[C@@H](C)C=C(C)C[C@H]1C 306167156 572569551 /nfs/dbraw/zinc/56/95/51/572569551.db2.gz XGDWHBVKCBAJSM-WHOHXGKFSA-N 0 0 178.275 2.219 10 30 AEEERN C=C1C[C@@H]2CC[C@@H](O)C[C@H]2C1 307541944 572569564 /nfs/dbraw/zinc/56/95/64/572569564.db2.gz STGIYBLIHNTDRV-IVZWLZJFSA-N 0 0 152.237 2.114 10 30 AEEERN CC(C)[C@H](C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564409 572569719 /nfs/dbraw/zinc/56/97/19/572569719.db2.gz XKELRZYABAFJHK-IXMYILBSSA-N 0 0 191.274 2.397 10 30 AEEERN C=CC/C(=C\C)C(=S)NC 306182188 572569981 /nfs/dbraw/zinc/56/99/81/572569981.db2.gz WRNQSFBYRWLBOJ-FNORWQNLSA-N 0 0 155.266 2.056 10 30 AEEERN C=C1C[C@]1(OC)[C@@H](O)C1CCCCC1 307584230 572570021 /nfs/dbraw/zinc/57/00/21/572570021.db2.gz HOTVVOBOPZFRMG-NWDGAFQWSA-N 0 0 196.290 2.273 10 30 AEEERN C=C1[C@@H]([C@H](O)C(C)C)C12CCC2 306148923 572570032 /nfs/dbraw/zinc/57/00/32/572570032.db2.gz CSKSFXHZSWRDGV-VHSXEESVSA-N 0 0 166.264 2.360 10 30 AEEERN CCC1=C(C)C(Cl)(Cl)C1=O 45820413 572570074 /nfs/dbraw/zinc/57/00/74/572570074.db2.gz XTZZFJLTAGCOQH-UHFFFAOYSA-N 0 0 179.046 2.470 10 30 AEEERN CCOC(CCCC#N)OCC 71606167 572570129 /nfs/dbraw/zinc/57/01/29/572570129.db2.gz GKYHWVZHPBKFPA-UHFFFAOYSA-N 0 0 171.240 2.079 10 30 in-vitro AEEERN C=C[C@@H](O)c1cc(C)cs1 306229779 572570553 /nfs/dbraw/zinc/57/05/53/572570553.db2.gz JLWXXCLJIFTMOT-SSDOTTSWSA-N 0 0 154.234 2.276 10 30 AEEERN C=CCC[C@@H](O)c1ccns1 404484893 572570802 /nfs/dbraw/zinc/57/08/02/572570802.db2.gz AKYZXQOOPRCWCE-SSDOTTSWSA-N 0 0 169.249 2.143 10 30 AEEERN C=CC(C)(C)CNc1cccnc1N 307594623 572570717 /nfs/dbraw/zinc/57/07/17/572570717.db2.gz KKSIWYCZYYQTIP-UHFFFAOYSA-N 0 0 191.278 2.288 10 30 AEEERN C=C1CC[C@H](O)[C@@H]2CCCC[C@@]2(O)C1 307579912 572570813 /nfs/dbraw/zinc/57/08/13/572570813.db2.gz QNFFPSLRBGHPMI-SDDRHHMPSA-N 0 0 196.290 2.009 10 30 AEEERN CC/C=C\C(=O)CC1CC1 307829413 572570967 /nfs/dbraw/zinc/57/09/67/572570967.db2.gz JGVIWPMTCAJLLD-ARJAWSKDSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)C[C@H](C)OCC[C@@H]1CO1 308064820 572571040 /nfs/dbraw/zinc/57/10/40/572571040.db2.gz YCIMVYDPOVQIQV-VHSXEESVSA-N 0 0 172.268 2.227 10 30 AEEERN CCCCCOCC1(C#N)CC1 584905987 572571182 /nfs/dbraw/zinc/57/11/82/572571182.db2.gz BZDBXFQWOOIJSV-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN C#C[C@H](O)C(C1CCC1)C1CCC1 306203010 572571196 /nfs/dbraw/zinc/57/11/96/572571196.db2.gz ZCFYQLYYRQLBMR-NSHDSACASA-N 0 0 178.275 2.197 10 30 AEEERN C[C@@H]1CC(=O)C2=C(CCCC2)O1 39602852 572571240 /nfs/dbraw/zinc/57/12/40/572571240.db2.gz OSRMVNCPCOQYNI-SSDOTTSWSA-N 0 0 166.220 2.192 10 30 AEEERN CC#C[C@H](O)c1ccsc1C 306216330 572571265 /nfs/dbraw/zinc/57/12/65/572571265.db2.gz KVPLXZHJMFCTGV-VIFPVBQESA-N 0 0 166.245 2.113 10 30 AEEERN C=C[C@@H](C)S[C@H](C)C(C)=O 307583453 572571285 /nfs/dbraw/zinc/57/12/85/572571285.db2.gz YOYHJUGFOBEQNI-HTRCEHHLSA-N 0 0 158.266 2.272 10 30 AEEERN C#CCSCCCCCF 306211911 572571397 /nfs/dbraw/zinc/57/13/97/572571397.db2.gz QMFQKPINKLBIRB-UHFFFAOYSA-N 0 0 160.257 2.493 10 30 AEEERN C=C(C[C@H](O)c1ccccc1)OC 238338967 572571582 /nfs/dbraw/zinc/57/15/82/572571582.db2.gz CBINCFAFPACNQV-NSHDSACASA-N 0 0 178.231 2.270 10 30 AEEERN CC(C)C[C@@H](C)OCC[C@@H]1CO1 308064816 572571659 /nfs/dbraw/zinc/57/16/59/572571659.db2.gz YCIMVYDPOVQIQV-NXEZZACHSA-N 0 0 172.268 2.227 10 30 AEEERN C=C(C[C@@H](O)c1ccccc1)OC 238338912 572571670 /nfs/dbraw/zinc/57/16/70/572571670.db2.gz CBINCFAFPACNQV-LLVKDONJSA-N 0 0 178.231 2.270 10 30 AEEERN CC(C)CCOCC1(C#N)CC1 584906017 572571888 /nfs/dbraw/zinc/57/18/88/572571888.db2.gz XYRPFHXIMOGBFQ-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@H](CC#N)N1CCSC[C@@H]1C 69760911 572571945 /nfs/dbraw/zinc/57/19/45/572571945.db2.gz NMHNHCKUURTXAS-VHSXEESVSA-N 0 0 198.335 2.116 10 30 AEEERN Cc1cc(C2(C#N)CC(C)C2)no1 584906057 572571975 /nfs/dbraw/zinc/57/19/75/572571975.db2.gz NNXUJGDTUOTLNP-UHFFFAOYSA-N 0 0 176.219 2.174 10 30 AEEERN C#CC[C@H](O)c1cccc(F)c1C 307536531 572575069 /nfs/dbraw/zinc/57/50/69/572575069.db2.gz LFIVWCBADLDGIU-NSHDSACASA-N 0 0 178.206 2.191 10 30 AEEERN COc1ccc(Cl)c(CCC=O)c1 238335693 572572141 /nfs/dbraw/zinc/57/21/41/572572141.db2.gz RTFUHHYTFFTKDD-UHFFFAOYSA-N 0 0 198.649 2.480 10 30 AEEERN C=C(CC)CNc1ccc(N)c(N)c1 307571289 572572295 /nfs/dbraw/zinc/57/22/95/572572295.db2.gz XRYYFTMYBLYANG-UHFFFAOYSA-N 0 0 191.278 2.229 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CC[C@@H](C)C1 307597545 572572303 /nfs/dbraw/zinc/57/23/03/572572303.db2.gz NSCXZCYYEPMJDM-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)C[C@H](C)OCC[C@H]1CO1 308064818 572572321 /nfs/dbraw/zinc/57/23/21/572572321.db2.gz YCIMVYDPOVQIQV-UWVGGRQHSA-N 0 0 172.268 2.227 10 30 AEEERN C=C[C@@]1(C)C(=O)[C@H]2CC(C)=C[C@H]21 307569324 572572534 /nfs/dbraw/zinc/57/25/34/572572534.db2.gz XFGKBBQXRKYSPI-IQJOONFLSA-N 0 0 162.232 2.344 10 30 AEEERN C#C[C@@H](C)OC(=O)C1CCCCC1 307556754 572572580 /nfs/dbraw/zinc/57/25/80/572572580.db2.gz UPPUKEXXVVKSND-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#Cc1nc(CCC)sc1C 307526707 572572687 /nfs/dbraw/zinc/57/26/87/572572687.db2.gz ILCGAERBBMUJTA-UHFFFAOYSA-N 0 0 165.261 2.385 10 30 AEEERN C[C@H]1CC(=O)C2=C(CCCC2)O1 39602853 572572769 /nfs/dbraw/zinc/57/27/69/572572769.db2.gz OSRMVNCPCOQYNI-ZETCQYMHSA-N 0 0 166.220 2.192 10 30 AEEERN C#CCON[C@@H]1CCC(C)(C)C[C@@H]1C 306218530 572572840 /nfs/dbraw/zinc/57/28/40/572572840.db2.gz OIPAHRHWZZFUIJ-WDEREUQCSA-N 0 0 195.306 2.356 10 30 AEEERN C#CC[C@]1(O)CCCC12CCCC2 306197428 572572927 /nfs/dbraw/zinc/57/29/27/572572927.db2.gz XBAVYWONROLRNK-LBPRGKRZSA-N 0 0 178.275 2.485 10 30 AEEERN CCCCC(C)=NOC 307828785 572573081 /nfs/dbraw/zinc/57/30/81/572573081.db2.gz RTAUSARJKDFNRW-UHFFFAOYSA-N 0 0 129.203 2.199 10 30 AEEERN C=C(C)[C@H](O)[C@@H](C)/C=C\Cl 307830425 572573102 /nfs/dbraw/zinc/57/31/02/572573102.db2.gz PKFAQHOMUSBXLM-QLFXJFTPSA-N 0 0 160.644 2.312 10 30 AEEERN CC(=O)/C=C(\C)CC1CC1 307830512 572573116 /nfs/dbraw/zinc/57/31/16/572573116.db2.gz VARYDDVPTSWBTO-FNORWQNLSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC[C@H](C)[C@H](C)CCO 306290931 572573350 /nfs/dbraw/zinc/57/33/50/572573350.db2.gz QOCJFORRTDMITC-DTWKUNHWSA-N 0 0 142.242 2.217 10 30 AEEERN N#C[C@H](OC(F)F)c1ccccc1 71617530 572573356 /nfs/dbraw/zinc/57/33/56/572573356.db2.gz CRUIZKRMCOQXHR-QMMMGPOBSA-N 0 0 183.157 2.490 10 30 AEEERN CC(C)C[C@@H](C)OCC[C@H]1CO1 308064821 572573504 /nfs/dbraw/zinc/57/35/04/572573504.db2.gz YCIMVYDPOVQIQV-ZJUUUORDSA-N 0 0 172.268 2.227 10 30 AEEERN CC[C@@H](CC#N)N1CCSC[C@@H]1C 69760910 572573528 /nfs/dbraw/zinc/57/35/28/572573528.db2.gz NMHNHCKUURTXAS-UWVGGRQHSA-N 0 0 198.335 2.116 10 30 AEEERN CC(C)COCC1(C#N)CCC1 584905996 572573663 /nfs/dbraw/zinc/57/36/63/572573663.db2.gz INEXFXCBGUTYHF-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN Cc1cccc(N2CC3(CC3)C2)c1C#N 235995844 572573893 /nfs/dbraw/zinc/57/38/93/572573893.db2.gz GLGOICJGTRXRCA-UHFFFAOYSA-N 0 0 198.269 2.467 10 30 AEEERN CC#CCN(C)c1ccc(C)cc1 307570601 572574244 /nfs/dbraw/zinc/57/42/44/572574244.db2.gz BAFHPJNHASUNOX-UHFFFAOYSA-N 0 0 173.259 2.455 10 30 AEEERN C=C1C[C@@H]2CC[C@H](O)C[C@H]2C1 307541942 572574311 /nfs/dbraw/zinc/57/43/11/572574311.db2.gz STGIYBLIHNTDRV-AEJSXWLSSA-N 0 0 152.237 2.114 10 30 AEEERN C=C[C@H]1CC[C@H]2C=C[C@H](O)[C@H]2C1 307590012 572574368 /nfs/dbraw/zinc/57/43/68/572574368.db2.gz GBCKRVKKHZPKBK-NAKRPEOUSA-N 0 0 164.248 2.136 10 30 AEEERN CC(=O)/C(C)=C\[C@@H](O)c1ccccc1 214842765 572574373 /nfs/dbraw/zinc/57/43/73/572574373.db2.gz KZEWWWYLRGVRRQ-JLVNDZCYSA-N 0 0 190.242 2.255 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CC[C@@H](C)C1 307597547 572574434 /nfs/dbraw/zinc/57/44/34/572574434.db2.gz NSCXZCYYEPMJDM-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN N#CC1(COCC2CCC2)CCC1 584906000 572574550 /nfs/dbraw/zinc/57/45/50/572574550.db2.gz LKPPCJMUZXZIFV-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN C=CC(C)(C)CNc1nc(C)no1 307502561 572574682 /nfs/dbraw/zinc/57/46/82/572574682.db2.gz JFEHYMQPFSYAMW-UHFFFAOYSA-N 0 0 181.239 2.002 10 30 AEEERN C=C(CCO)[C@@H]1CCC[C@H]1C 306266500 572574722 /nfs/dbraw/zinc/57/47/22/572574722.db2.gz GHGGMBLIIDRNRV-PSASIEDQSA-N 0 0 154.253 2.361 10 30 AEEERN C#CCCC(=O)Nc1cscc1C 306282959 572574807 /nfs/dbraw/zinc/57/48/07/572574807.db2.gz HUFHAEZXJAVRDY-UHFFFAOYSA-N 0 0 193.271 2.408 10 30 AEEERN C#C[C@]1(O)CCCC12CCCCC2 306266342 572575184 /nfs/dbraw/zinc/57/51/84/572575184.db2.gz GYBXBPRCYZAOLQ-LBPRGKRZSA-N 0 0 178.275 2.485 10 30 AEEERN CC#CCC[C@](C)(O)[C@@H]1C[C@@H]1C 306222393 572575314 /nfs/dbraw/zinc/57/53/14/572575314.db2.gz WUPRYCNELBAVQK-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN CCc1cc(O)ccc1C[C@@H](C)C=O 238336966 572575345 /nfs/dbraw/zinc/57/53/45/572575345.db2.gz VSJBBBZFCDNKRY-SECBINFHSA-N 0 0 192.258 2.332 10 30 AEEERN C#C[C@@H](C)OC(=O)c1occc1Cl 307582785 572575557 /nfs/dbraw/zinc/57/55/57/572575557.db2.gz WDKCSMXXYXRDIK-ZCFIWIBFSA-N 0 0 198.605 2.112 10 30 AEEERN C=C(CO)[C@@H]1CC[C@@H](C)[C@@H]1C 307522747 572575668 /nfs/dbraw/zinc/57/56/68/572575668.db2.gz CFNMRAMHTRXHFP-JEZHCXPESA-N 0 0 154.253 2.217 10 30 AEEERN C=CCNc1nnc(C(F)F)s1 306261070 572575704 /nfs/dbraw/zinc/57/57/04/572575704.db2.gz VTIPWYFDIISOJC-UHFFFAOYSA-N 0 0 191.206 2.074 10 30 AEEERN CC=NOc1sc(C)nc1C 713303729 572575858 /nfs/dbraw/zinc/57/58/58/572575858.db2.gz ATPSXHVEFDVZSQ-UHFFFAOYSA-N 0 0 170.237 2.144 10 30 AEEERN CCc1cc(O)ccc1C[C@H](C)C=O 238337007 572575859 /nfs/dbraw/zinc/57/58/59/572575859.db2.gz VSJBBBZFCDNKRY-VIFPVBQESA-N 0 0 192.258 2.332 10 30 AEEERN C#CCC[C@@H](O)[C@H](C)CC(F)(F)F 402752176 572576062 /nfs/dbraw/zinc/57/60/62/572576062.db2.gz AZUZCZLMXAQYOZ-HTQZYQBOSA-N 0 0 194.196 2.349 10 30 AEEERN C=C1[C@@H](C)[C@@]1(CO)c1ccccc1C 307571309 572576110 /nfs/dbraw/zinc/57/61/10/572576110.db2.gz DXNCITZESJSBMZ-YPMHNXCESA-N 0 0 188.270 2.431 10 30 AEEERN C=CC[C@@](C)(O)[C@@H]1CC1(C)C 307541531 572576214 /nfs/dbraw/zinc/57/62/14/572576214.db2.gz ODRONFLNYUPIEL-PSASIEDQSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC[C@H]1c2ccccc2C[C@@H]1O 307510377 572576535 /nfs/dbraw/zinc/57/65/35/572576535.db2.gz CQLMHCFONYBBAB-RYUDHWBXSA-N 0 0 174.243 2.263 10 30 AEEERN C#C[C@H](O)C(C)(C)C(C)(C)C 306207827 572576545 /nfs/dbraw/zinc/57/65/45/572576545.db2.gz ZNWSWVNPZIBESR-QMMMGPOBSA-N 0 0 154.253 2.053 10 30 AEEERN Cc1c(Cl)ccc(C#N)c1[N+](=O)[O-] 205191379 572576578 /nfs/dbraw/zinc/57/65/78/572576578.db2.gz XOCYIVUDAHAZJM-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN CCCCCCC(=O)/C(C)=C/CO 214842482 572576672 /nfs/dbraw/zinc/57/66/72/572576672.db2.gz ZHCMANNRNCNMNT-CSKARUKUSA-N 0 0 184.279 2.465 10 30 AEEERN C#CCC[C@@H](O)[C@@H](C)CC(F)(F)F 402752178 572576751 /nfs/dbraw/zinc/57/67/51/572576751.db2.gz AZUZCZLMXAQYOZ-JGVFFNPUSA-N 0 0 194.196 2.349 10 30 AEEERN C=C1CCCN(C(=O)[C@@H](C)CC)C1 306239376 572576760 /nfs/dbraw/zinc/57/67/60/572576760.db2.gz QEUKXDIXWNATBT-JTQLQIEISA-N 0 0 181.279 2.211 10 30 AEEERN CCCCCCC(=O)/C(C)=C\CO 214842434 572576815 /nfs/dbraw/zinc/57/68/15/572576815.db2.gz ZHCMANNRNCNMNT-NTMALXAHSA-N 0 0 184.279 2.465 10 30 AEEERN C=C[C@H](C)N[C@@H](C)C(F)(F)F 307545330 572576855 /nfs/dbraw/zinc/57/68/55/572576855.db2.gz ARCSPLNLCKYJLT-WDSKDSINSA-N 0 0 167.174 2.101 10 30 AEEERN C#Cc1nc2cc(OC)ccc2s1 307532657 572576885 /nfs/dbraw/zinc/57/68/85/572576885.db2.gz ZNFNAGHISVVLJT-UHFFFAOYSA-N 0 0 189.239 2.286 10 30 AEEERN C=C[C@@H](O)c1cc(F)cc(OC)c1 306263773 572576902 /nfs/dbraw/zinc/57/69/02/572576902.db2.gz NQHZXDCPIFCANL-SNVBAGLBSA-N 0 0 182.194 2.054 10 30 AEEERN C=C1CC[C@]2(CO)[C@@H]3CCC[C@H]3[C@H]12 307531317 572576966 /nfs/dbraw/zinc/57/69/66/572576966.db2.gz WZBVGUUXEVONRT-WYUUTHIRSA-N 0 0 178.275 2.361 10 30 AEEERN C#CCCSCc1ncoc1C 308068869 572577033 /nfs/dbraw/zinc/57/70/33/572577033.db2.gz AGVSZPOQLOTYMJ-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN C=C([C@H](C)CO)[C@@]1(C)CCCC(=O)C1 306263983 572577066 /nfs/dbraw/zinc/57/70/66/572577066.db2.gz NWZUGSRCEKZSOO-SKDRFNHKSA-N 0 0 196.290 2.320 10 30 AEEERN COc1ccc([C@H](C=O)SC)cc1 238340651 572577087 /nfs/dbraw/zinc/57/70/87/572577087.db2.gz UUAHEGVXEVKVKB-JTQLQIEISA-N 0 0 196.271 2.298 10 30 AEEERN C=C1[C@H](C)[C@@]1(CO)c1ccccc1C 307571297 572577132 /nfs/dbraw/zinc/57/71/32/572577132.db2.gz DXNCITZESJSBMZ-AAEUAGOBSA-N 0 0 188.270 2.431 10 30 AEEERN CC#C[C@H](O)C1CCCCCC1 307594875 572577270 /nfs/dbraw/zinc/57/72/70/572577270.db2.gz JLQHGCCCBSDUAA-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=C(NC1CCCCC1)C(OC)OC 238343412 572577515 /nfs/dbraw/zinc/57/75/15/572577515.db2.gz HQAPAADBDWHAMG-UHFFFAOYSA-N 0 0 199.294 2.041 10 30 AEEERN C=C(C)C[N@H+](CCCC)CCC(=O)[O-] 71740411 572577734 /nfs/dbraw/zinc/57/77/34/572577734.db2.gz FTSFDDVOFCGWOO-UHFFFAOYSA-N 0 0 199.294 2.139 10 30 AEEERN CCC#C/C=C/CC 114670168 572577860 /nfs/dbraw/zinc/57/78/60/572577860.db2.gz DEDXOXBKCFZRJB-FNORWQNLSA-N 0 0 108.184 2.366 10 30 AEEERN Cc1cc(CC#N)cc2c1O[C@H](C)C2 214485163 572577902 /nfs/dbraw/zinc/57/79/02/572577902.db2.gz UEUZUXXZIVMPAQ-SECBINFHSA-N 0 0 187.242 2.385 10 30 AEEERN C=C(CCO)c1ccccc1OC 238342632 572578119 /nfs/dbraw/zinc/57/81/19/572578119.db2.gz XCIMFGURUHXTKA-UHFFFAOYSA-N 0 0 178.231 2.091 10 30 AEEERN C=C1C[C@H]2[C@H](C1)CC(=O)[C@@H]2C 306276361 572578194 /nfs/dbraw/zinc/57/81/94/572578194.db2.gz LVSYSZSHKKCALS-IWSPIJDZSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(O)[C@H](O)C1(C)C 306264870 572578337 /nfs/dbraw/zinc/57/83/37/572578337.db2.gz ORKQJSJFYXIIIO-UMNHJUIQSA-N 0 0 198.306 2.111 10 30 AEEERN CC#C[C@](O)(CC)C1CCCC1 307503212 572578548 /nfs/dbraw/zinc/57/85/48/572578548.db2.gz VXLKGKQILDFDRE-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C=C([C@H](C)CO)[C@]1(C)CCCC(=O)C1 306263980 572578568 /nfs/dbraw/zinc/57/85/68/572578568.db2.gz NWZUGSRCEKZSOO-BXKDBHETSA-N 0 0 196.290 2.320 10 30 AEEERN C=C(c1ccc(OC)cc1)[C@@H](C)CO 238344148 572578709 /nfs/dbraw/zinc/57/87/09/572578709.db2.gz FUOMLQUOORSTNH-VIFPVBQESA-N 0 0 192.258 2.337 10 30 AEEERN C=C[C@H](/C=C/C)[C@H](O)CC 306299730 572578751 /nfs/dbraw/zinc/57/87/51/572578751.db2.gz YKKYCTYFWZIWLQ-AOZRHXBJSA-N 0 0 140.226 2.136 10 30 AEEERN C=C(C[C@H](C)O)c1ccc(OC)cc1 238344112 572578804 /nfs/dbraw/zinc/57/88/04/572578804.db2.gz WLQWQENRXXLGLS-JTQLQIEISA-N 0 0 192.258 2.479 10 30 AEEERN C#CCCNc1nc(CC)cs1 69790788 572578818 /nfs/dbraw/zinc/57/88/18/572578818.db2.gz WUFUCJILYNIXHP-UHFFFAOYSA-N 0 0 180.276 2.141 10 30 AEEERN CC#C[C@]1(O)CCC[C@H](C)[C@@H]1C 306256481 572578853 /nfs/dbraw/zinc/57/88/53/572578853.db2.gz OBZPCMLPINGJFQ-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C=C1[C@]2(C)C=C[C@@H]3[C@@]1(C)[C@]3(C)C2=O 307597759 572578953 /nfs/dbraw/zinc/57/89/53/572578953.db2.gz NYXUISVZCLGPJF-QTKMDUPCSA-N 0 0 174.243 2.344 10 30 AEEERN C=C[C@@H](O)/C=C/c1ccccc1OC 238342321 572579013 /nfs/dbraw/zinc/57/90/13/572579013.db2.gz YDQHOEDBLHZVJF-ANYFNZRUSA-N 0 0 190.242 2.255 10 30 AEEERN O=CC1(c2ccc3ncccc3c2)CC1 114677263 572579055 /nfs/dbraw/zinc/57/90/55/572579055.db2.gz MQHQRFVYIJBOHR-UHFFFAOYSA-N 0 0 197.237 2.465 10 30 AEEERN C#CCNc1cc(F)ccc1C(C)=O 306251367 572579058 /nfs/dbraw/zinc/57/90/58/572579058.db2.gz UAZSMXFJXCKZRB-UHFFFAOYSA-N 0 0 191.205 2.073 10 30 AEEERN C=CCCC/C=C/CNC(=O)OC 308069277 572579150 /nfs/dbraw/zinc/57/91/50/572579150.db2.gz JEHMLMXQTPBCAT-BQYQJAHWSA-N 0 0 183.251 2.255 10 30 AEEERN Cc1cn(-c2ccccc2C#N)c(C)n1 114690951 572579187 /nfs/dbraw/zinc/57/91/87/572579187.db2.gz GIKJQZNKKAUGSV-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=C(C)[C@H](O)c1cc(C)cc(C)n1 306288232 572579241 /nfs/dbraw/zinc/57/92/41/572579241.db2.gz MCKLOEIMRDBZHQ-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN C#C[C@@H]1C=CC[C@@H]1[C@H](O)[C@@H]1C[C@@H]1CC 306230397 572579401 /nfs/dbraw/zinc/57/94/01/572579401.db2.gz ZNUJDYSDLRUCEC-SJHCENCUSA-N 0 0 190.286 2.219 10 30 AEEERN C#C[C@@H](/C=C/C)[C@H](O)C(C)(C)C 307583615 572579709 /nfs/dbraw/zinc/57/97/09/572579709.db2.gz ZEMYXGFEJWJTHO-OKJFYCPLSA-N 0 0 166.264 2.219 10 30 AEEERN CC#C[C@@H](O)C1CCCCCC1 307594874 572579753 /nfs/dbraw/zinc/57/97/53/572579753.db2.gz JLQHGCCCBSDUAA-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C=C[C@@H]1CC[C@@H]2C(=O)CC[C@H]12 306296803 572579784 /nfs/dbraw/zinc/57/97/84/572579784.db2.gz IJVJWLNYDMGSKD-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(CCO)[C@H]1CCC[C@@H]1C 306266503 572579802 /nfs/dbraw/zinc/57/98/02/572579802.db2.gz GHGGMBLIIDRNRV-WPRPVWTQSA-N 0 0 154.253 2.361 10 30 AEEERN C=C=CC[C@@H](O)C#Cc1ccccc1 306298130 572579806 /nfs/dbraw/zinc/57/98/06/572579806.db2.gz DIUIPBRGISSULN-CYBMUJFWSA-N 0 0 184.238 2.130 10 30 AEEERN C=C1[C@H](C)[C@]1(CO)c1ccccc1C 307571303 572580093 /nfs/dbraw/zinc/58/00/93/572580093.db2.gz DXNCITZESJSBMZ-WCQYABFASA-N 0 0 188.270 2.431 10 30 AEEERN C=C(C)[C@@H](O)c1cc(C)cc(C)n1 306288231 572580186 /nfs/dbraw/zinc/58/01/86/572580186.db2.gz MCKLOEIMRDBZHQ-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN N#CC#Cc1cc(F)ccc1Cl 306269605 572580202 /nfs/dbraw/zinc/58/02/02/572580202.db2.gz MOGJJQLNFWZYBM-UHFFFAOYSA-N 0 0 179.581 2.354 10 30 AEEERN C=C[C@H](O)c1cc(F)cc(OC)c1 306263772 572580620 /nfs/dbraw/zinc/58/06/20/572580620.db2.gz NQHZXDCPIFCANL-JTQLQIEISA-N 0 0 182.194 2.054 10 30 AEEERN C=C[C@@H](NN)[C@H](CC)CC(C)C 308067207 572584237 /nfs/dbraw/zinc/58/42/37/572584237.db2.gz MAZBYBWVAKPVFE-NXEZZACHSA-N 0 0 170.300 2.077 10 30 AEEERN C=C(C[C@@H](C)O)c1ccc(OC)cc1 238344096 572580737 /nfs/dbraw/zinc/58/07/37/572580737.db2.gz WLQWQENRXXLGLS-SNVBAGLBSA-N 0 0 192.258 2.479 10 30 AEEERN C=C[C@H](O)/C=C/c1ccccc1OC 238342285 572580848 /nfs/dbraw/zinc/58/08/48/572580848.db2.gz YDQHOEDBLHZVJF-FBOQAHMBSA-N 0 0 190.242 2.255 10 30 AEEERN C=C(c1ccc(OC)cc1)[C@H](C)CO 238344229 572580893 /nfs/dbraw/zinc/58/08/93/572580893.db2.gz FUOMLQUOORSTNH-SECBINFHSA-N 0 0 192.258 2.337 10 30 AEEERN Cc1nc(C#N)n(CC(C)(C)C)c1C 713352004 572581043 /nfs/dbraw/zinc/58/10/43/572581043.db2.gz VTIKMZGGDWJJCX-UHFFFAOYSA-N 0 0 191.278 2.418 10 30 AEEERN N#C[C@@H]1CCCCC[C@H]1C#N 114651162 572581060 /nfs/dbraw/zinc/58/10/60/572581060.db2.gz RJSJPXHATRPCAV-IUCAKERBSA-N 0 0 148.209 2.230 10 30 AEEERN N#C[C@H]1CCCCC[C@H]1C#N 114651158 572581136 /nfs/dbraw/zinc/58/11/36/572581136.db2.gz RJSJPXHATRPCAV-DTORHVGOSA-N 0 0 148.209 2.230 10 30 AEEERN N#C[C@H]1CCCCC[C@@H]1C#N 114651160 572581146 /nfs/dbraw/zinc/58/11/46/572581146.db2.gz RJSJPXHATRPCAV-RKDXNWHRSA-N 0 0 148.209 2.230 10 30 AEEERN C=C(C)C[N@@H+](CCC(=O)[O-])[C@H](C)CC 71740402 572581270 /nfs/dbraw/zinc/58/12/70/572581270.db2.gz KEOFHUKJAUHWCR-SNVBAGLBSA-N 0 0 199.294 2.138 10 30 AEEERN CCc1ccc(C#N)cc1[C@@H](N)CC#N 238349863 572581508 /nfs/dbraw/zinc/58/15/08/572581508.db2.gz KXHSDNAOINEUMG-LBPRGKRZSA-N 0 0 199.257 2.034 10 30 AEEERN C#C/C=C\c1ccccc1NC(C)=O 306270093 572581569 /nfs/dbraw/zinc/58/15/69/572581569.db2.gz NUYFQRJDJRCVOL-DAXSKMNVSA-N 0 0 185.226 2.291 10 30 AEEERN C=CC[C@]1(O)CCC[C@]12CCC[C@H]2O 307512697 572581571 /nfs/dbraw/zinc/58/15/71/572581571.db2.gz PSRMQVVVWURMPU-WOPDTQHZSA-N 0 0 196.290 2.009 10 30 AEEERN C#C[C@@H](C)OC(=O)c1ccoc1Cl 307581832 572581579 /nfs/dbraw/zinc/58/15/79/572581579.db2.gz SJSOEFLWCFAIBP-ZCFIWIBFSA-N 0 0 198.605 2.112 10 30 AEEERN C#C[C@@H](O)C(C)(C)C(C)(C)C 306207824 572581772 /nfs/dbraw/zinc/58/17/72/572581772.db2.gz ZNWSWVNPZIBESR-MRVPVSSYSA-N 0 0 154.253 2.053 10 30 AEEERN C=C1CC[C@H](O)C(C)(C)[C@H]1/C=C\OC 214845055 572581782 /nfs/dbraw/zinc/58/17/82/572581782.db2.gz LDUXDTZLLZRURE-ZXXKLBARSA-N 0 0 196.290 2.500 10 30 AEEERN C=C[C@@H]1O[C@@H](c2ccccc2)C[C@@H]1O 306204055 572581806 /nfs/dbraw/zinc/58/18/06/572581806.db2.gz YQXQXIJIDDMAMR-SDDRHHMPSA-N 0 0 190.242 2.064 10 30 AEEERN Cc1cccc(C#CBr)n1 307524292 572581812 /nfs/dbraw/zinc/58/18/12/572581812.db2.gz FQULKXOKQKPMNA-UHFFFAOYSA-N 0 0 196.047 2.094 10 30 AEEERN C=CCCc1cccc(C#N)c1N 306224618 572581879 /nfs/dbraw/zinc/58/18/79/572581879.db2.gz ZYKWTBZNEOXPIG-UHFFFAOYSA-N 0 0 172.231 2.259 10 30 AEEERN CC#CCC[C@](C)(O)[C@H]1C[C@@H]1C 306222394 572582009 /nfs/dbraw/zinc/58/20/09/572582009.db2.gz WUPRYCNELBAVQK-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@@H](C)[C@H](O)c1ccccc1C 307573778 572582018 /nfs/dbraw/zinc/58/20/18/572582018.db2.gz GLNVJAYVMWCPSA-SKDRFNHKSA-N 0 0 174.243 2.298 10 30 AEEERN CCN=Nc1ccc([N+](=O)[O-])cc1 713319363 572582149 /nfs/dbraw/zinc/58/21/49/572582149.db2.gz YVDNNYWGYXGGCI-UHFFFAOYSA-N 0 0 179.179 2.012 10 30 AEEERN CCn1c(CC#N)nc2cc(C)ccc21 71745008 572582165 /nfs/dbraw/zinc/58/21/65/572582165.db2.gz HQMBQEXXPHJXGY-UHFFFAOYSA-N 0 0 199.257 2.431 10 30 AEEERN C=C(C)C[N@@H+](CCC(=O)[O-])[C@@H](C)CC 71740403 572582295 /nfs/dbraw/zinc/58/22/95/572582295.db2.gz KEOFHUKJAUHWCR-JTQLQIEISA-N 0 0 199.294 2.138 10 30 AEEERN C=C1CCCC(=O)[C@]2(C)[C@@H](O)CC[C@@H]12 306274260 572582344 /nfs/dbraw/zinc/58/23/44/572582344.db2.gz CGBFMBSUATZAOU-ZMLRMANQSA-N 0 0 194.274 2.073 10 30 AEEERN C=CC[C@@H](CO)c1ccc(OC)cc1 238345646 572582439 /nfs/dbraw/zinc/58/24/39/572582439.db2.gz NORWAACKBOQDOC-NSHDSACASA-N 0 0 192.258 2.347 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)C1CCC1 87585301 572582445 /nfs/dbraw/zinc/58/24/45/572582445.db2.gz AKZXKGAGICCTDN-PSASIEDQSA-N 0 0 166.268 2.067 10 30 AEEERN C=CC[C@H](NN)[C@@H](CC)CC(C)C 308066741 572582620 /nfs/dbraw/zinc/58/26/20/572582620.db2.gz LTBMQKZKIVTHKQ-QWRGUYRKSA-N 0 0 184.327 2.467 10 30 AEEERN C=C[C@H](CO)Cc1ccccc1OC 238350353 572582810 /nfs/dbraw/zinc/58/28/10/572582810.db2.gz IZVXHRJLSILDJR-JTQLQIEISA-N 0 0 192.258 2.032 10 30 AEEERN C=C[C@H](NN)[C@@H](CC)CC(C)C 308067208 572582847 /nfs/dbraw/zinc/58/28/47/572582847.db2.gz MAZBYBWVAKPVFE-UWVGGRQHSA-N 0 0 170.300 2.077 10 30 AEEERN C#C[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1O 306274266 572582896 /nfs/dbraw/zinc/58/28/96/572582896.db2.gz CGLNEAUHPFXXFC-MXWKQRLJSA-N 0 0 180.291 2.443 10 30 AEEERN C=C(C)CN(C)c1cc(N)cc(F)c1 307597511 572582949 /nfs/dbraw/zinc/58/29/49/572582949.db2.gz NZYGYMIQEGWGJX-UHFFFAOYSA-N 0 0 194.253 2.420 10 30 AEEERN C#C[C@H](/C=C/C)[C@@H](O)C(C)(C)C 307583614 572582966 /nfs/dbraw/zinc/58/29/66/572582966.db2.gz ZEMYXGFEJWJTHO-IZRRHEBBSA-N 0 0 166.264 2.219 10 30 AEEERN C=CCOc1cc(N)c(F)cc1F 306260061 572583087 /nfs/dbraw/zinc/58/30/87/572583087.db2.gz TWCAGXURJGOYAP-UHFFFAOYSA-N 0 0 185.173 2.112 10 30 AEEERN C=CC[C@H](NN)[C@H](CC)CC(C)C 308066740 572583193 /nfs/dbraw/zinc/58/31/93/572583193.db2.gz LTBMQKZKIVTHKQ-MNOVXSKESA-N 0 0 184.327 2.467 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)C1CCC1 87585300 572583242 /nfs/dbraw/zinc/58/32/42/572583242.db2.gz AKZXKGAGICCTDN-WPRPVWTQSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@H](NN)[C@H](CC)CC(C)C 308067210 572583250 /nfs/dbraw/zinc/58/32/50/572583250.db2.gz MAZBYBWVAKPVFE-ZJUUUORDSA-N 0 0 170.300 2.077 10 30 AEEERN CC[C@@](C)(O)C#Cc1ccccc1F 306221385 572583273 /nfs/dbraw/zinc/58/32/73/572583273.db2.gz TVFXQALAWKQZIG-GFCCVEGCSA-N 0 0 192.233 2.338 10 30 AEEERN C#CCCN1CCCC[C@@H]1C(F)F 306201748 572583330 /nfs/dbraw/zinc/58/33/30/572583330.db2.gz OSUGCCJIOLCKPY-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN CC(C)c1ncn2c1[C@@H](S)CC2 74300068 572583376 /nfs/dbraw/zinc/58/33/76/572583376.db2.gz BOCSDYHEVGSUCV-ZETCQYMHSA-N 0 0 182.292 2.381 10 30 AEEERN C=CC[C@@H]1C[C@@H]2[C@@H]3C(=O)C[C@H]1[C@H]23 307566154 572583384 /nfs/dbraw/zinc/58/33/84/572583384.db2.gz NWUMTZPQOSPKSA-DBPGGULWSA-N 0 0 162.232 2.034 10 30 AEEERN CC#CC[C@@H](O)c1sccc1F 306238175 572583451 /nfs/dbraw/zinc/58/34/51/572583451.db2.gz QZZDRTBNLSFICV-MRVPVSSYSA-N 0 0 184.235 2.334 10 30 AEEERN C#CCSCCC(=C)C 306267908 572583498 /nfs/dbraw/zinc/58/34/98/572583498.db2.gz ILLWKORXDPCBEC-UHFFFAOYSA-N 0 0 140.251 2.319 10 30 AEEERN Cc1cc(C#N)sc1C 83267518 572583539 /nfs/dbraw/zinc/58/35/39/572583539.db2.gz HZLNUMNHTKSRBF-UHFFFAOYSA-N 0 0 137.207 2.237 10 30 AEEERN C=CC[C@]1(O)CCC[C@]12CCC[C@@H]2O 307512686 572583566 /nfs/dbraw/zinc/58/35/66/572583566.db2.gz PSRMQVVVWURMPU-SRVKXCTJSA-N 0 0 196.290 2.009 10 30 AEEERN CC(=O)/C=C\Oc1ccccc1 114744746 572583923 /nfs/dbraw/zinc/58/39/23/572583923.db2.gz BTVKKKKDKGZEDS-FPLPWBNLSA-N 0 0 162.188 2.168 10 30 AEEERN C#C[C@@H]1C(=O)CC[C@H]2CCCC[C@H]21 306235807 572583964 /nfs/dbraw/zinc/58/39/64/572583964.db2.gz NHTUANDNGSVJMF-OUAUKWLOSA-N 0 0 176.259 2.405 10 30 AEEERN CCc1ccc(C#N)cc1[C@H](N)CC#N 238350220 572584035 /nfs/dbraw/zinc/58/40/35/572584035.db2.gz KXHSDNAOINEUMG-GFCCVEGCSA-N 0 0 199.257 2.034 10 30 AEEERN C=CC[C@@H](NN)[C@@H](CC)CC(C)C 308066742 572584140 /nfs/dbraw/zinc/58/41/40/572584140.db2.gz LTBMQKZKIVTHKQ-WDEREUQCSA-N 0 0 184.327 2.467 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)C1CCC1 87585299 572584154 /nfs/dbraw/zinc/58/41/54/572584154.db2.gz AKZXKGAGICCTDN-SCZZXKLOSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@@H](C)Sc1nncs1 306291672 572584185 /nfs/dbraw/zinc/58/41/85/572584185.db2.gz RKUKXJWJOIILSO-RXMQYKEDSA-N 0 0 172.278 2.205 10 30 AEEERN C=C(C(F)(F)F)C1(O)CCC1 307596835 572584294 /nfs/dbraw/zinc/58/42/94/572584294.db2.gz MUYVKGROBNVMJE-UHFFFAOYSA-N 0 0 166.142 2.020 10 30 AEEERN C=N[C@H](C(=O)OC(C)(C)C)C(C)C 71792271 572584304 /nfs/dbraw/zinc/58/43/04/572584304.db2.gz YRONCRCIIGCDMV-QMMMGPOBSA-N 0 0 185.267 2.053 10 30 AEEERN C#CCCC[C@]1(O)CCC1(C)C 307569313 572584383 /nfs/dbraw/zinc/58/43/83/572584383.db2.gz XDMYDCPKDHYKCW-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=C[C@@H](NN)[C@@H](CC)CC(C)C 308067209 572584421 /nfs/dbraw/zinc/58/44/21/572584421.db2.gz MAZBYBWVAKPVFE-VHSXEESVSA-N 0 0 170.300 2.077 10 30 AEEERN CC[C@H](C)N[C@H](C#N)C1CCC1 87585302 572584571 /nfs/dbraw/zinc/58/45/71/572584571.db2.gz AKZXKGAGICCTDN-WCBMZHEXSA-N 0 0 166.268 2.067 10 30 AEEERN C=CC[C@@H](NN)[C@H](CC)CC(C)C 308066739 572584735 /nfs/dbraw/zinc/58/47/35/572584735.db2.gz LTBMQKZKIVTHKQ-GHMZBOCLSA-N 0 0 184.327 2.467 10 30 AEEERN C=C(C)CC(=O)NC1CCCC1 306260242 572584901 /nfs/dbraw/zinc/58/49/01/572584901.db2.gz JXYPCUYKTAXUMW-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN C=C(Cl)C[N@H+]1CC[C@H]1CC 306292271 572585001 /nfs/dbraw/zinc/58/50/01/572585001.db2.gz SBQMGIXZYKVHLC-MRVPVSSYSA-N 0 0 159.660 2.223 10 30 AEEERN Cc1cc(C)c(C#N)s1 83267517 572585158 /nfs/dbraw/zinc/58/51/58/572585158.db2.gz HUVRKKWHTIXEOF-UHFFFAOYSA-N 0 0 137.207 2.237 10 30 AEEERN CC(C)c1ncn2c1[C@H](S)CC2 74300070 572585160 /nfs/dbraw/zinc/58/51/60/572585160.db2.gz BOCSDYHEVGSUCV-SSDOTTSWSA-N 0 0 182.292 2.381 10 30 AEEERN C#C[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1O 306274265 572585377 /nfs/dbraw/zinc/58/53/77/572585377.db2.gz CGLNEAUHPFXXFC-GMTAPVOTSA-N 0 0 180.291 2.443 10 30 AEEERN CC=NN(C)Cc1ccc(C)cc1 713355751 572585461 /nfs/dbraw/zinc/58/54/61/572585461.db2.gz NWKNCKGXABRMBS-UHFFFAOYSA-N 0 0 176.263 2.433 10 30 AEEERN C=N[C@@H](C(=O)OC(C)(C)C)C(C)C 71792272 572585469 /nfs/dbraw/zinc/58/54/69/572585469.db2.gz YRONCRCIIGCDMV-MRVPVSSYSA-N 0 0 185.267 2.053 10 30 AEEERN N#Cc1c(Cl)ncc2c1SCC2 114698228 572585491 /nfs/dbraw/zinc/58/54/91/572585491.db2.gz LZZXUHJSTITXGO-UHFFFAOYSA-N 0 0 196.662 2.255 10 30 AEEERN C=C[C@H]1[C@H]([Si](C)(C)C)[C@H]1CO 306232960 572585690 /nfs/dbraw/zinc/58/56/90/572585690.db2.gz ARSIDQORIYKHFI-VGMNWLOBSA-N 0 0 170.328 2.119 10 30 AEEERN C=C[C@@H](C#CC)[C@H](O)C(C)(C)C 307538343 572585805 /nfs/dbraw/zinc/58/58/05/572585805.db2.gz KFHDRRMRQUBMRK-UWVGGRQHSA-N 0 0 166.264 2.219 10 30 AEEERN CCc1ccc2c(c1)nc(CC#N)n2C 74296370 572585947 /nfs/dbraw/zinc/58/59/47/572585947.db2.gz RKNADVOWGPLGLY-UHFFFAOYSA-N 0 0 199.257 2.202 10 30 AEEERN CCc1cc(C#N)cs1 83267522 572586201 /nfs/dbraw/zinc/58/62/01/572586201.db2.gz FGNITGLSZOBCRU-UHFFFAOYSA-N 0 0 137.207 2.182 10 30 AEEERN CS/C(=N/C#N)N(C)CCC(C)C 87587452 572586842 /nfs/dbraw/zinc/58/68/42/572586842.db2.gz MBPBQWPJITVIPT-PKNBQFBNSA-N 0 0 199.323 2.164 10 30 AEEERN Cc1occc1SCC[C@H]1CO1 308068427 572586471 /nfs/dbraw/zinc/58/64/71/572586471.db2.gz ZZYZSYNUSXTKND-QMMMGPOBSA-N 0 0 184.260 2.469 10 30 AEEERN C#CCCOCc1cccc(Cl)n1 236033129 572586583 /nfs/dbraw/zinc/58/65/83/572586583.db2.gz JEDYAOLSDMYKNS-UHFFFAOYSA-N 0 0 195.649 2.275 10 30 AEEERN CCC[C@H](C)N(C)/C(=N\C#N)SC 87587411 572586587 /nfs/dbraw/zinc/58/65/87/572586587.db2.gz XAILTCKLHUGACZ-QMIUEANQSA-N 0 0 199.323 2.307 10 30 AEEERN CC#CCCn1ccc(C(C)C)n1 306215505 572586629 /nfs/dbraw/zinc/58/66/29/572586629.db2.gz ICGCEBUXASWIMO-UHFFFAOYSA-N 0 0 176.263 2.420 10 30 AEEERN CCC(C)(C)N(C)/C(=N\C#N)SC 87587654 572586635 /nfs/dbraw/zinc/58/66/35/572586635.db2.gz BWJXQNJHFIVLNQ-DHZHZOJOSA-N 0 0 199.323 2.307 10 30 AEEERN C=CCN1CCC[C@@H]1c1nccs1 306280464 572586805 /nfs/dbraw/zinc/58/68/05/572586805.db2.gz IIJKRFUXBBHKSD-SECBINFHSA-N 0 0 194.303 2.466 10 30 AEEERN CCCC/C(=C\[C@@H](C)O)C(=O)CC 214841851 572586834 /nfs/dbraw/zinc/58/68/34/572586834.db2.gz FEXOIZBNYXZFEO-NCXKZPMSSA-N 0 0 184.279 2.463 10 30 AEEERN C=CC[C@@H](O)C[C@@]1(C)CC1(F)F 689678917 572586844 /nfs/dbraw/zinc/58/68/44/572586844.db2.gz ARGISCXDTVTJBO-SFYZADRCSA-N 0 0 176.206 2.359 10 30 AEEERN CCCCN(CC)/C(=N\C#N)SC 87587292 572586853 /nfs/dbraw/zinc/58/68/53/572586853.db2.gz SLRKLQRDJKPARG-PKNBQFBNSA-N 0 0 199.323 2.308 10 30 AEEERN CCCN(CCC)/C(=N\C#N)SC 87587282 572586874 /nfs/dbraw/zinc/58/68/74/572586874.db2.gz FUSABPIPXQFQEQ-PKNBQFBNSA-N 0 0 199.323 2.308 10 30 AEEERN CC[C@@H](CC#N)C(=O)C1CCC1 87585695 572586893 /nfs/dbraw/zinc/58/68/93/572586893.db2.gz MGLJAZULKRRGEJ-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(C)c(C)n1 306250052 572586906 /nfs/dbraw/zinc/58/69/06/572586906.db2.gz ONVIKTBBTREKDP-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN CCC[C@H](C#N)[C@H](O)C1CCC1 87586518 572586914 /nfs/dbraw/zinc/58/69/14/572586914.db2.gz YGWDFZAKUBAYNX-NXEZZACHSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C)[C@H](C)N=C(NC#N)SC 87587474 572587121 /nfs/dbraw/zinc/58/71/21/572587121.db2.gz CWPGBMKCPUICBE-YUMQZZPRSA-N 0 0 199.323 2.211 10 30 AEEERN CC(C)(S)c1ccccn1 114766562 572587140 /nfs/dbraw/zinc/58/71/40/572587140.db2.gz GVZHSZMKCURIIN-UHFFFAOYSA-N 0 0 153.250 2.247 10 30 AEEERN C#C[C@H](C)[C@H](O)c1ccccc1C 307573777 572587217 /nfs/dbraw/zinc/58/72/17/572587217.db2.gz GLNVJAYVMWCPSA-CABZTGNLSA-N 0 0 174.243 2.298 10 30 AEEERN CC(C)[C@@H]1O[C@H]1/C=C\Br 307835404 572591090 /nfs/dbraw/zinc/59/10/90/572591090.db2.gz UJZXUPHNXHNLJG-NBJOHNLQSA-N 0 0 191.068 2.318 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)C1CCC1 87586519 572587306 /nfs/dbraw/zinc/58/73/06/572587306.db2.gz YGWDFZAKUBAYNX-UWVGGRQHSA-N 0 0 167.252 2.087 10 30 AEEERN CCCCCCN=C(NC#N)SC 87587675 572587407 /nfs/dbraw/zinc/58/74/07/572587407.db2.gz GFAGWIWOHUZAIP-UHFFFAOYSA-N 0 0 199.323 2.356 10 30 AEEERN CCC(CC)N(C)/C(=N\C#N)SC 87587409 572587568 /nfs/dbraw/zinc/58/75/68/572587568.db2.gz FDAWQWSUVXJXJM-PKNBQFBNSA-N 0 0 199.323 2.307 10 30 AEEERN CSC(=NC[C@@H](C)C(C)C)NC#N 87587693 572587600 /nfs/dbraw/zinc/58/76/00/572587600.db2.gz RMLFYSAWPHEAFM-MRVPVSSYSA-N 0 0 199.323 2.068 10 30 AEEERN CS/C(=N/C#N)N1CCCC1(C)C 87587611 572587634 /nfs/dbraw/zinc/58/76/34/572587634.db2.gz KHPVPHBKEDEEIN-DHZHZOJOSA-N 0 0 197.307 2.061 10 30 AEEERN CC=CC(=O)c1cc(F)ncc1F 306223169 572587723 /nfs/dbraw/zinc/58/77/23/572587723.db2.gz YHRRJJYEWNEJBG-UHFFFAOYSA-N 0 0 183.157 2.119 10 30 AEEERN C=C(C)/C=C\C[C@@H](C)C=O 307834692 572592391 /nfs/dbraw/zinc/59/23/91/572592391.db2.gz YTVLUTLSDSWQEE-XRVBUDJMSA-N 0 0 138.210 2.344 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)C1CCC1 87586517 572587743 /nfs/dbraw/zinc/58/77/43/572587743.db2.gz YGWDFZAKUBAYNX-VHSXEESVSA-N 0 0 167.252 2.087 10 30 AEEERN CCN(CC)[C@@H](C#N)C1CCC1 87585768 572587809 /nfs/dbraw/zinc/58/78/09/572587809.db2.gz HEIAMDLXHGEWAI-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN COC(=O)C#CC(C)(C)C(C)(C)C 306241988 572587869 /nfs/dbraw/zinc/58/78/69/572587869.db2.gz IHTSGZQEYINSEH-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN C=CC[C@@H](O)C[C@]1(C)CC1(F)F 689678903 572587888 /nfs/dbraw/zinc/58/78/88/572587888.db2.gz ARGISCXDTVTJBO-HTQZYQBOSA-N 0 0 176.206 2.359 10 30 AEEERN CCCN(/C(=N\C#N)SC)C(C)C 87587341 572587981 /nfs/dbraw/zinc/58/79/81/572587981.db2.gz KXSSODRHULKAQB-PKNBQFBNSA-N 0 0 199.323 2.307 10 30 AEEERN CC#C[C@]1(O)CCC[C@@H](C)[C@@H]1C 306256485 572588017 /nfs/dbraw/zinc/58/80/17/572588017.db2.gz OBZPCMLPINGJFQ-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@@H](C)Nc1cc(C)cc(C#N)c1 306245447 572588021 /nfs/dbraw/zinc/58/80/21/572588021.db2.gz CGAPJLZFPXBVII-SNVBAGLBSA-N 0 0 184.242 2.300 10 30 AEEERN C#C[C@H](O)C1(c2ccccc2)CCC1 306277714 572588039 /nfs/dbraw/zinc/58/80/39/572588039.db2.gz UVMVHOBZEDKQBS-LBPRGKRZSA-N 0 0 186.254 2.102 10 30 AEEERN Cc1occc1SCC[C@@H]1CO1 308068426 572588043 /nfs/dbraw/zinc/58/80/43/572588043.db2.gz ZZYZSYNUSXTKND-MRVPVSSYSA-N 0 0 184.260 2.469 10 30 AEEERN CC[C@H](N=C(NC#N)SC)C(C)C 87587482 572588106 /nfs/dbraw/zinc/58/81/06/572588106.db2.gz PCRLYUWINPMBIF-QMMMGPOBSA-N 0 0 199.323 2.211 10 30 AEEERN CS/C(=N\C#N)N(C)[C@@H](C)C(C)C 87587408 572588159 /nfs/dbraw/zinc/58/81/59/572588159.db2.gz LHZUQESUCCKKPA-HXFLENJLSA-N 0 0 199.323 2.163 10 30 AEEERN C#CCCOCc1cccnc1Cl 236057254 572588238 /nfs/dbraw/zinc/58/82/38/572588238.db2.gz VEYJYXHMFVXTJG-UHFFFAOYSA-N 0 0 195.649 2.275 10 30 AEEERN C#CCCOCc1ccnc(Cl)c1 236038257 572588320 /nfs/dbraw/zinc/58/83/20/572588320.db2.gz SPWZXOLRAGSXSV-UHFFFAOYSA-N 0 0 195.649 2.275 10 30 AEEERN C=C(C)CN(CC)/C(=N\C#N)SC 87587322 572588322 /nfs/dbraw/zinc/58/83/22/572588322.db2.gz SGKDEPPRIDRJOG-PKNBQFBNSA-N 0 0 197.307 2.084 10 30 AEEERN C=C[C@@H](CO)Cc1ccccc1OC 238352090 572588331 /nfs/dbraw/zinc/58/83/31/572588331.db2.gz IZVXHRJLSILDJR-SNVBAGLBSA-N 0 0 192.258 2.032 10 30 AEEERN CSC(=N[C@H](C)CC(C)C)NC#N 87587364 572588390 /nfs/dbraw/zinc/58/83/90/572588390.db2.gz VHXZEZKRZGKQBV-MRVPVSSYSA-N 0 0 199.323 2.211 10 30 AEEERN CCCC/C(=C/[C@H](C)O)C(=O)CC 214841996 572588400 /nfs/dbraw/zinc/58/84/00/572588400.db2.gz FEXOIZBNYXZFEO-CUQRQBARSA-N 0 0 184.279 2.463 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)C1CCC1 87586520 572588408 /nfs/dbraw/zinc/58/84/08/572588408.db2.gz YGWDFZAKUBAYNX-ZJUUUORDSA-N 0 0 167.252 2.087 10 30 AEEERN O=CCc1ccc(-c2ccccn2)cc1 114871610 572588423 /nfs/dbraw/zinc/58/84/23/572588423.db2.gz RWMHQUCBBBKPJR-UHFFFAOYSA-N 0 0 197.237 2.490 10 30 AEEERN C=C(C)CC(=O)N1CCCC[C@H]1C 307546364 572588427 /nfs/dbraw/zinc/58/84/27/572588427.db2.gz ZKXXUASDRMNIJP-SNVBAGLBSA-N 0 0 181.279 2.354 10 30 AEEERN C#CCCOCc1ccc(Cl)nc1 236046614 572588493 /nfs/dbraw/zinc/58/84/93/572588493.db2.gz HQURGBFVWSAGAD-UHFFFAOYSA-N 0 0 195.649 2.275 10 30 AEEERN C=CCCNc1cc(N)c(C#N)s1 306211336 572590557 /nfs/dbraw/zinc/59/05/57/572590557.db2.gz UXRXBKCSAOGPGN-UHFFFAOYSA-N 0 0 193.275 2.190 10 30 AEEERN CC[C@@H](C)[C@H](C)N=C(NC#N)SC 87587473 572588606 /nfs/dbraw/zinc/58/86/06/572588606.db2.gz CWPGBMKCPUICBE-SFYZADRCSA-N 0 0 199.323 2.211 10 30 AEEERN CC[C@H](C)[C@@H](C)N=C(NC#N)SC 87587472 572588669 /nfs/dbraw/zinc/58/86/69/572588669.db2.gz CWPGBMKCPUICBE-JGVFFNPUSA-N 0 0 199.323 2.211 10 30 AEEERN CC#C[C@H](O)c1ccc([C@@H]2C[C@H]2C)o1 306288702 572588679 /nfs/dbraw/zinc/58/86/79/572588679.db2.gz MYGIBNSXCWDSRX-BBBLOLIVSA-N 0 0 190.242 2.460 10 30 AEEERN C=CC[C@H]1O[C@H](O)c2ccccc21 306279933 572588685 /nfs/dbraw/zinc/58/86/85/572588685.db2.gz AQNVFQXEGALFDT-MNOVXSKESA-N 0 0 176.215 2.325 10 30 AEEERN CC[C@H](CC#N)C(=O)C1CCC1 87585696 572588706 /nfs/dbraw/zinc/58/87/06/572588706.db2.gz MGLJAZULKRRGEJ-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN C=C[C@H](C)[C@@H](CC)O[C@H](O)CC 308068241 572588750 /nfs/dbraw/zinc/58/87/50/572588750.db2.gz ZTDWLJGWLZWOQQ-AEJSXWLSSA-N 0 0 172.268 2.332 10 30 AEEERN CCC[C@@H](C)N(C)/C(=N\C#N)SC 87587410 572588762 /nfs/dbraw/zinc/58/87/62/572588762.db2.gz XAILTCKLHUGACZ-ITCPUHJZSA-N 0 0 199.323 2.307 10 30 AEEERN C=CCCNC(=O)c1ccc(Cl)o1 236043565 572588804 /nfs/dbraw/zinc/58/88/04/572588804.db2.gz ULIJNPLOSIBJOT-UHFFFAOYSA-N 0 0 199.637 2.239 10 30 AEEERN C=CC[C@H](O)C[C@]1(C)CC1(F)F 689678906 572588893 /nfs/dbraw/zinc/58/88/93/572588893.db2.gz ARGISCXDTVTJBO-JGVFFNPUSA-N 0 0 176.206 2.359 10 30 AEEERN N#CCCCCOC(F)(F)F 713387767 572588907 /nfs/dbraw/zinc/58/89/07/572588907.db2.gz BCHMNHINLIEYKN-UHFFFAOYSA-N 0 0 167.130 2.217 10 30 AEEERN C=C1CCO[C@@H](C(F)(F)F)C1 306269049 572589051 /nfs/dbraw/zinc/58/90/51/572589051.db2.gz KXIWTPZBBRBOJW-ZCFIWIBFSA-N 0 0 166.142 2.284 10 30 AEEERN CSC(=NCCCC(C)C)NC#N 87587607 572589062 /nfs/dbraw/zinc/58/90/62/572589062.db2.gz NMWCUVTUQCNMDO-UHFFFAOYSA-N 0 0 199.323 2.212 10 30 AEEERN CO[C@@H]1CCC[C@H](CCC=O)C1 114828325 572589190 /nfs/dbraw/zinc/58/91/90/572589190.db2.gz DOJNQCBYCQITEC-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@@H]1CCCN1/C(=N\C#N)SC 87587433 572589298 /nfs/dbraw/zinc/58/92/98/572589298.db2.gz SOUPPHOLFKDEPV-ITCPUHJZSA-N 0 0 197.307 2.061 10 30 AEEERN CCN(CC)[C@H](C#N)C1CCC1 87585769 572589319 /nfs/dbraw/zinc/58/93/19/572589319.db2.gz HEIAMDLXHGEWAI-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CCCN(/C(=N\C#N)SC)C1CC1 87587342 572589355 /nfs/dbraw/zinc/58/93/55/572589355.db2.gz ULVOOHDDLZESDG-PKNBQFBNSA-N 0 0 197.307 2.061 10 30 AEEERN CS/C(=N\C#N)N(C)CC(C)(C)C 87587548 572589365 /nfs/dbraw/zinc/58/93/65/572589365.db2.gz MAQCBZZREFARBE-FLIBITNWSA-N 0 0 199.323 2.164 10 30 AEEERN C=CC[C@H](O)C[C@@]1(C)CC1(F)F 689678920 572589368 /nfs/dbraw/zinc/58/93/68/572589368.db2.gz ARGISCXDTVTJBO-YUMQZZPRSA-N 0 0 176.206 2.359 10 30 AEEERN CCCc1cc(Cl)n(CCC#N)n1 85018908 572589380 /nfs/dbraw/zinc/58/93/80/572589380.db2.gz FFMNOKFVNGOMMA-UHFFFAOYSA-N 0 0 197.669 2.403 10 30 AEEERN CC[C@@H](C)CN(C)/C(=N\C#N)SC 87587351 572589381 /nfs/dbraw/zinc/58/93/81/572589381.db2.gz GPMNJFJISXGZLM-ITCPUHJZSA-N 0 0 199.323 2.164 10 30 AEEERN CC[C@H](C)CN(C)/C(=N\C#N)SC 87587352 572589410 /nfs/dbraw/zinc/58/94/10/572589410.db2.gz GPMNJFJISXGZLM-QMIUEANQSA-N 0 0 199.323 2.164 10 30 AEEERN C=C(CCC=O)[C@@H]1CC[C@@](C)(O)[C@@H]1C 214842221 572589464 /nfs/dbraw/zinc/58/94/64/572589464.db2.gz QJLJOQKGJCQKBV-GRYCIOLGSA-N 0 0 196.290 2.319 10 30 AEEERN CCC[C@H](CC)N=C(NC#N)SC 87587570 572589506 /nfs/dbraw/zinc/58/95/06/572589506.db2.gz YOMPDFSENZPZIE-QMMMGPOBSA-N 0 0 199.323 2.355 10 30 AEEERN CC[C@H]1CCCN1/C(=N\C#N)SC 87587434 572589556 /nfs/dbraw/zinc/58/95/56/572589556.db2.gz SOUPPHOLFKDEPV-QMIUEANQSA-N 0 0 197.307 2.061 10 30 AEEERN CC[C@@H](N=C(NC#N)SC)C(C)C 87587483 572589557 /nfs/dbraw/zinc/58/95/57/572589557.db2.gz PCRLYUWINPMBIF-MRVPVSSYSA-N 0 0 199.323 2.211 10 30 AEEERN CCC[C@@H](CC)N=C(NC#N)SC 87587569 572589570 /nfs/dbraw/zinc/58/95/70/572589570.db2.gz YOMPDFSENZPZIE-MRVPVSSYSA-N 0 0 199.323 2.355 10 30 AEEERN CC[C@@H](C)N(CC)/C(=N\C#N)SC 87587348 572589573 /nfs/dbraw/zinc/58/95/73/572589573.db2.gz BDZWHOQXFUMDKV-ITCPUHJZSA-N 0 0 199.323 2.307 10 30 AEEERN CC[C@@H](C)[C@@H](C)N=C(NC#N)SC 87587471 572589576 /nfs/dbraw/zinc/58/95/76/572589576.db2.gz CWPGBMKCPUICBE-HTQZYQBOSA-N 0 0 199.323 2.211 10 30 AEEERN CCCCCN(C)/C(=N\C#N)SC 87587350 572589580 /nfs/dbraw/zinc/58/95/80/572589580.db2.gz GMPFCPCBWASPPU-PKNBQFBNSA-N 0 0 199.323 2.308 10 30 AEEERN CCCC[C@H](C)N=C(NC#N)SC 87587577 572589583 /nfs/dbraw/zinc/58/95/83/572589583.db2.gz GMTTWLXCSPLOGB-QMMMGPOBSA-N 0 0 199.323 2.355 10 30 AEEERN N#Cc1cccc([C@@H]2CC(=O)C=CO2)c1 69850357 572591079 /nfs/dbraw/zinc/59/10/79/572591079.db2.gz ZCVZHBPYKQFITL-LBPRGKRZSA-N 0 0 199.209 2.102 10 30 AEEERN C=C[C@H](C)[C@@H](CC)O[C@@H](O)CC 308068242 572589618 /nfs/dbraw/zinc/58/96/18/572589618.db2.gz ZTDWLJGWLZWOQQ-IVZWLZJFSA-N 0 0 172.268 2.332 10 30 AEEERN CCN(CC(C)C)/C(=N\C#N)SC 87587347 572589635 /nfs/dbraw/zinc/58/96/35/572589635.db2.gz TYEOGONSYGVIDF-PKNBQFBNSA-N 0 0 199.323 2.164 10 30 AEEERN CCCC/C(=C\[C@H](C)O)C(=O)CC 214841941 572589664 /nfs/dbraw/zinc/58/96/64/572589664.db2.gz FEXOIZBNYXZFEO-WKMLFNHBSA-N 0 0 184.279 2.463 10 30 AEEERN CS/C(=N\C#N)N(C)[C@H](C)C(C)C 87587407 572589668 /nfs/dbraw/zinc/58/96/68/572589668.db2.gz LHZUQESUCCKKPA-IDTVXWRCSA-N 0 0 199.323 2.163 10 30 AEEERN C=C[C@H](C)Sc1nncs1 306291673 572589729 /nfs/dbraw/zinc/58/97/29/572589729.db2.gz RKUKXJWJOIILSO-YFKPBYRVSA-N 0 0 172.278 2.205 10 30 AEEERN CCCC/C(=C/[C@@H](C)O)C(=O)CC 214841896 572589769 /nfs/dbraw/zinc/58/97/69/572589769.db2.gz FEXOIZBNYXZFEO-URLRMUCDSA-N 0 0 184.279 2.463 10 30 AEEERN CC[C@H](C)N(CC)/C(=N\C#N)SC 87587349 572589771 /nfs/dbraw/zinc/58/97/71/572589771.db2.gz BDZWHOQXFUMDKV-QMIUEANQSA-N 0 0 199.323 2.307 10 30 AEEERN CSC(=N[C@@H](C)CC(C)C)NC#N 87587365 572589864 /nfs/dbraw/zinc/58/98/64/572589864.db2.gz VHXZEZKRZGKQBV-QMMMGPOBSA-N 0 0 199.323 2.211 10 30 AEEERN CCCC[C@@H](C)N=C(NC#N)SC 87587576 572589883 /nfs/dbraw/zinc/58/98/83/572589883.db2.gz GMTTWLXCSPLOGB-MRVPVSSYSA-N 0 0 199.323 2.355 10 30 AEEERN CSC(=NC[C@H](C)C(C)C)NC#N 87587692 572589889 /nfs/dbraw/zinc/58/98/89/572589889.db2.gz RMLFYSAWPHEAFM-QMMMGPOBSA-N 0 0 199.323 2.068 10 30 AEEERN C=C(CC)Cn1c(C)c(C)sc1=O 306228663 572589945 /nfs/dbraw/zinc/58/99/45/572589945.db2.gz XMNSGUNUVFFZAY-UHFFFAOYSA-N 0 0 197.303 2.493 10 30 AEEERN C#C/C(C)=C/C[C@H]1CCC[C@H]1O 306240632 572590229 /nfs/dbraw/zinc/59/02/29/572590229.db2.gz KTCWJGCVTZABJW-JKWVPGAPSA-N 0 0 164.248 2.117 10 30 AEEERN C=CC[C@]12C(=O)CC[C@H]1CCC[C@H]2O 306285635 572590262 /nfs/dbraw/zinc/59/02/62/572590262.db2.gz JUZKHPKKUCTYRO-FOGDFJRCSA-N 0 0 194.274 2.073 10 30 AEEERN C=CCNc1nccnc1C(F)F 306267628 572590285 /nfs/dbraw/zinc/59/02/85/572590285.db2.gz QJQUKNJQDBFABF-UHFFFAOYSA-N 0 0 185.177 2.012 10 30 AEEERN CC[C@]1(c2ccco2)CC(=O)C=CO1 69852329 572590455 /nfs/dbraw/zinc/59/04/55/572590455.db2.gz WGWURBSFLZSTLF-LLVKDONJSA-N 0 0 192.214 2.388 10 30 AEEERN CO[C@H]1CCC[C@@H](CCC=O)C1 114828324 572590463 /nfs/dbraw/zinc/59/04/63/572590463.db2.gz DOJNQCBYCQITEC-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCn1cnnc1SC/C=C/C 394248275 572590524 /nfs/dbraw/zinc/59/05/24/572590524.db2.gz YISOZPVWVMRNQL-HWKANZROSA-N 0 0 195.291 2.132 10 30 AEEERN C=C(C)/C=C\C[C@H](C)C=O 307834690 572590538 /nfs/dbraw/zinc/59/05/38/572590538.db2.gz YTVLUTLSDSWQEE-WBSSQXGSSA-N 0 0 138.210 2.344 10 30 AEEERN CC(CCCC(C)C)=NN 307834984 572590575 /nfs/dbraw/zinc/59/05/75/572590575.db2.gz NOKYYAJGIKKHMZ-UHFFFAOYSA-N 0 0 142.246 2.147 10 30 AEEERN CCCC#CC[C@H](O)C(C)C 306290287 572590855 /nfs/dbraw/zinc/59/08/55/572590855.db2.gz PUPHAZGCHUQMHJ-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN CO[C@H]1CCC[C@H](CCC=O)C1 114828327 572590875 /nfs/dbraw/zinc/59/08/75/572590875.db2.gz DOJNQCBYCQITEC-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCOc1cccc2c1[C@H](O)CC2 306283688 572591104 /nfs/dbraw/zinc/59/11/04/572591104.db2.gz CJFWHHQQSNSGIT-SNVBAGLBSA-N 0 0 190.242 2.231 10 30 AEEERN CC[C@@H]1O[C@@H]1[C@H](C)Cc1cccnc1 251650955 572591135 /nfs/dbraw/zinc/59/11/35/572591135.db2.gz NKHNTHHOEOXEHH-ADEWGFFLSA-N 0 0 191.274 2.438 10 30 AEEERN C=C([C@@H](C)CO)[C@@]1(C)CCCC(=O)C1 306263981 572591210 /nfs/dbraw/zinc/59/12/10/572591210.db2.gz NWZUGSRCEKZSOO-CABZTGNLSA-N 0 0 196.290 2.320 10 30 AEEERN CC#C/C=C/C[C@H]1CCCC1=O 306230086 572591218 /nfs/dbraw/zinc/59/12/18/572591218.db2.gz KCTQLPUNVLRDRJ-YEZKRMTDSA-N 0 0 162.232 2.325 10 30 AEEERN N=NC(N=CC=O)c1ccccc1 393533299 572591271 /nfs/dbraw/zinc/59/12/71/572591271.db2.gz DNZHQEMZHAETFI-IMBDWWORSA-N 0 0 175.191 2.493 10 30 AEEERN C=CCOc1cccc2c1[C@@H](O)CC2 306283686 572591343 /nfs/dbraw/zinc/59/13/43/572591343.db2.gz CJFWHHQQSNSGIT-JTQLQIEISA-N 0 0 190.242 2.231 10 30 AEEERN C#C[C@@H]1C=CC[C@@H]1[C@H](O)[C@H]1C[C@H]1CC 306230393 572591369 /nfs/dbraw/zinc/59/13/69/572591369.db2.gz ZNUJDYSDLRUCEC-BNDIWNMDSA-N 0 0 190.286 2.219 10 30 AEEERN Cc1ccc([C@@]2(C)CC(=O)C=CO2)o1 69852279 572591491 /nfs/dbraw/zinc/59/14/91/572591491.db2.gz RQJUFNAXCUJHCE-LLVKDONJSA-N 0 0 192.214 2.306 10 30 AEEERN C#CCONC1CCC(C)(C)CC1 306223244 572591495 /nfs/dbraw/zinc/59/14/95/572591495.db2.gz RTYCMYRSTRVPGZ-UHFFFAOYSA-N 0 0 181.279 2.110 10 30 AEEERN CC[C@@]1(c2ccco2)CC(=O)C=CO1 69852330 572591533 /nfs/dbraw/zinc/59/15/33/572591533.db2.gz WGWURBSFLZSTLF-NSHDSACASA-N 0 0 192.214 2.388 10 30 AEEERN C=C1CCCC/C1=C/NC(C)=O 306257560 572591553 /nfs/dbraw/zinc/59/15/53/572591553.db2.gz ZCSZYKVDMMRXEK-YFHOEESVSA-N 0 0 165.236 2.137 10 30 AEEERN C#C/C(C)=C/C[C@@H]1CCC[C@@H]1O 306240629 572591686 /nfs/dbraw/zinc/59/16/86/572591686.db2.gz KTCWJGCVTZABJW-AHVQJPNGSA-N 0 0 164.248 2.117 10 30 AEEERN C=CCc1noc([C@H](C)SC)n1 308069714 572591688 /nfs/dbraw/zinc/59/16/88/572591688.db2.gz AOYROSVLCHHKPW-LURJTMIESA-N 0 0 184.264 2.222 10 30 AEEERN COc1ccc([C@@H](C=O)SC)cc1 238353254 572591727 /nfs/dbraw/zinc/59/17/27/572591727.db2.gz UUAHEGVXEVKVKB-SNVBAGLBSA-N 0 0 196.271 2.298 10 30 AEEERN N#Cc1ccc2cc3n(c2c1)C(=O)CC3 114897362 572591790 /nfs/dbraw/zinc/59/17/90/572591790.db2.gz BZNZSAAKKOWNGR-UHFFFAOYSA-N 0 0 196.209 2.099 10 30 AEEERN Cc1ccc([C@]2(C)CC(=O)C=CO2)o1 69852277 572591827 /nfs/dbraw/zinc/59/18/27/572591827.db2.gz RQJUFNAXCUJHCE-NSHDSACASA-N 0 0 192.214 2.306 10 30 AEEERN COC(=O)C#CC1(C)CCCCC1 234499205 572591835 /nfs/dbraw/zinc/59/18/35/572591835.db2.gz BKALFXCAKSWOII-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN CCCCCCC(C)=NN 307834985 572591926 /nfs/dbraw/zinc/59/19/26/572591926.db2.gz NORMVRCWGQENSQ-UHFFFAOYSA-N 0 0 142.246 2.291 10 30 AEEERN C=C[C@]1(C)C(=O)[C@H]2CCC=C[C@H]21 306275066 572591954 /nfs/dbraw/zinc/59/19/54/572591954.db2.gz FULQBNUBQHLVRP-NGZCFLSTSA-N 0 0 162.232 2.344 10 30 AEEERN CC#C[C@]1(CC)CCCC[C@@H]1O 306276670 572592031 /nfs/dbraw/zinc/59/20/31/572592031.db2.gz FELJKDBBKHPWCH-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN COC(C)(C)C[C@]1(C)CC(=O)C=CO1 69852300 572592076 /nfs/dbraw/zinc/59/20/76/572592076.db2.gz XPNNSRDYICIUGK-NSHDSACASA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H]1CN(c2ccccc2)CCO1 307520597 572592202 /nfs/dbraw/zinc/59/22/02/572592202.db2.gz RBCSOJNMXGJLBA-LBPRGKRZSA-N 0 0 189.258 2.078 10 30 AEEERN COC(C)(C)C[C@@]1(C)CC(=O)C=CO1 69852299 572592329 /nfs/dbraw/zinc/59/23/29/572592329.db2.gz XPNNSRDYICIUGK-LLVKDONJSA-N 0 0 198.262 2.063 10 30 AEEERN CC=C=CC(=O)c1ccc(C)c(C)n1 306258061 572592341 /nfs/dbraw/zinc/59/23/41/572592341.db2.gz QSMQGYWQVXCPFX-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN C=C[C@H](O)[C@]1(OC)CCC[C@H](C)C1 307590622 572592345 /nfs/dbraw/zinc/59/23/45/572592345.db2.gz GPXVHQVUQPFLTG-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN N#Cc1cccc([C@H]2CC(=O)C=CO2)c1 69850358 572592449 /nfs/dbraw/zinc/59/24/49/572592449.db2.gz ZCVZHBPYKQFITL-GFCCVEGCSA-N 0 0 199.209 2.102 10 30 AEEERN CC#CC[C@H](O)c1sccc1F 306238177 572592500 /nfs/dbraw/zinc/59/25/00/572592500.db2.gz QZZDRTBNLSFICV-QMMMGPOBSA-N 0 0 184.235 2.334 10 30 AEEERN COC[C@H](CC=O)c1ccccc1 238352722 572592624 /nfs/dbraw/zinc/59/26/24/572592624.db2.gz QVBSRAQACSZTRP-NSHDSACASA-N 0 0 178.231 2.006 10 30 AEEERN C#CCCOCc1cc(Cl)ccn1 236042986 572592773 /nfs/dbraw/zinc/59/27/73/572592773.db2.gz HUAHTTGQVXFQKX-UHFFFAOYSA-N 0 0 195.649 2.275 10 30 AEEERN C=CCCNC(=O)c1ccoc1Cl 236039449 572592802 /nfs/dbraw/zinc/59/28/02/572592802.db2.gz CPXDFWNSSFKADS-UHFFFAOYSA-N 0 0 199.637 2.239 10 30 AEEERN C=CC[C@H]1O[C@@H](O)c2ccccc21 306279932 572592888 /nfs/dbraw/zinc/59/28/88/572592888.db2.gz AQNVFQXEGALFDT-GHMZBOCLSA-N 0 0 176.215 2.325 10 30 AEEERN C=C[C@@H]1[C@@H](CO)[C@H]1[Si](C)(C)C 306232953 572593060 /nfs/dbraw/zinc/59/30/60/572593060.db2.gz ARSIDQORIYKHFI-HLTSFMKQSA-N 0 0 170.328 2.119 10 30 AEEERN CC#C[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1 306288698 572593110 /nfs/dbraw/zinc/59/31/10/572593110.db2.gz MYGIBNSXCWDSRX-AEJSXWLSSA-N 0 0 190.242 2.460 10 30 AEEERN C=C[C@@H](NCCC)c1cscn1 87595568 572593116 /nfs/dbraw/zinc/59/31/16/572593116.db2.gz CXGPENGEGIEODA-MRVPVSSYSA-N 0 0 182.292 2.370 10 30 AEEERN CO[C@H]1CCCC[C@H]1CCC=O 114827913 572593126 /nfs/dbraw/zinc/59/31/26/572593126.db2.gz SYCGITOGQFHHHU-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN C=C[C@@H]1O[C@H](c2ccccc2)C[C@H]1O 306204057 572593223 /nfs/dbraw/zinc/59/32/23/572593223.db2.gz YQXQXIJIDDMAMR-WOPDTQHZSA-N 0 0 190.242 2.064 10 30 AEEERN C=C[C@@H](C)NC(=O)c1occc1Cl 306263163 572593265 /nfs/dbraw/zinc/59/32/65/572593265.db2.gz MWVDGQKFWJKYED-ZCFIWIBFSA-N 0 0 199.637 2.237 10 30 AEEERN O=C1C=CO[C@H](c2ccccc2F)C1 69850300 572593429 /nfs/dbraw/zinc/59/34/29/572593429.db2.gz YTQWYOSCYVJLAY-NSHDSACASA-N 0 0 192.189 2.370 10 30 AEEERN C=CCc1noc([C@@H](C)SC)n1 308069715 572593454 /nfs/dbraw/zinc/59/34/54/572593454.db2.gz AOYROSVLCHHKPW-ZCFIWIBFSA-N 0 0 184.264 2.222 10 30 AEEERN C=C(C)[C@H](O)c1ccc(C)c(C)n1 306250053 572593498 /nfs/dbraw/zinc/59/34/98/572593498.db2.gz ONVIKTBBTREKDP-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CC[C@H](C)C1 307597544 572593558 /nfs/dbraw/zinc/59/35/58/572593558.db2.gz NSCXZCYYEPMJDM-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1C[C@@H]2[C@H](C)C(=O)C[C@H]2C1 306276339 572593654 /nfs/dbraw/zinc/59/36/54/572593654.db2.gz LVSYSZSHKKCALS-DJLDLDEBSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)[C@@H]1O[C@@H]1/C=C\Br 307835403 572593670 /nfs/dbraw/zinc/59/36/70/572593670.db2.gz UJZXUPHNXHNLJG-FKCQFORESA-N 0 0 191.068 2.318 10 30 AEEERN C=C(C)COc1ccccn1 306202281 572593785 /nfs/dbraw/zinc/59/37/85/572593785.db2.gz PAQMHVKJLWLYOS-UHFFFAOYSA-N 0 0 149.193 2.037 10 30 AEEERN CC1([C@H](O)C#Cc2ccccc2)CC1 306267818 572593791 /nfs/dbraw/zinc/59/37/91/572593791.db2.gz HUPLNBMKVRSBLO-GFCCVEGCSA-N 0 0 186.254 2.199 10 30 AEEERN C=C1CCO[C@H](C(F)(F)F)C1 306269048 572594017 /nfs/dbraw/zinc/59/40/17/572594017.db2.gz KXIWTPZBBRBOJW-LURJTMIESA-N 0 0 166.142 2.284 10 30 AEEERN CC[C@@H]1O[C@H]1[C@H](C)Cc1cccnc1 251650960 572594090 /nfs/dbraw/zinc/59/40/90/572594090.db2.gz NKHNTHHOEOXEHH-USWWRNFRSA-N 0 0 191.274 2.438 10 30 AEEERN C=C(C)[C@@H](NCC)c1cscn1 87595195 572594133 /nfs/dbraw/zinc/59/41/33/572594133.db2.gz HIOFGKXJBAACNQ-SECBINFHSA-N 0 0 182.292 2.370 10 30 AEEERN O=C1C=CO[C@@H](c2ccccc2F)C1 69850301 572594221 /nfs/dbraw/zinc/59/42/21/572594221.db2.gz YTQWYOSCYVJLAY-LLVKDONJSA-N 0 0 192.189 2.370 10 30 AEEERN C#C[C@@H](O)C/C=C\c1ccccc1 115008577 572594516 /nfs/dbraw/zinc/59/45/16/572594516.db2.gz JDGYWDJVWDWPHX-OJIASSBASA-N 0 0 172.227 2.084 10 30 AEEERN C#C[C@H](O)C/C=C\c1ccccc1 115008579 572594550 /nfs/dbraw/zinc/59/45/50/572594550.db2.gz JDGYWDJVWDWPHX-PWWFUAJNSA-N 0 0 172.227 2.084 10 30 AEEERN C=CC/C(C)=C/[C@H](O)C=C 307837120 572594614 /nfs/dbraw/zinc/59/46/14/572594614.db2.gz RADOLDIMZDRKJP-FCZSHJHJSA-N 0 0 138.210 2.056 10 30 AEEERN C#C[C@H](C)Nc1cc(C)cc(C#N)c1 306245446 572594676 /nfs/dbraw/zinc/59/46/76/572594676.db2.gz CGAPJLZFPXBVII-JTQLQIEISA-N 0 0 184.242 2.300 10 30 AEEERN C#CC[C@H](O)c1ccsc1Cl 306216214 572594717 /nfs/dbraw/zinc/59/47/17/572594717.db2.gz PLXZCPCJRMAJJK-ZETCQYMHSA-N 0 0 186.663 2.458 10 30 AEEERN C=C[C@@H](C)[C@H](O)CC(C)C 196518442 572594721 /nfs/dbraw/zinc/59/47/21/572594721.db2.gz DFPBBEYMOGULEH-RKDXNWHRSA-N 0 0 142.242 2.216 10 30 AEEERN C[C@H](C#C[Si](C)(C)C)CCCO 306243159 572594745 /nfs/dbraw/zinc/59/47/45/572594745.db2.gz WGEQGAYAXXCGJF-JTQLQIEISA-N 0 0 184.355 2.276 10 30 AEEERN C=CC/C(C)=C/[C@@H](O)C=C 307837121 572594781 /nfs/dbraw/zinc/59/47/81/572594781.db2.gz RADOLDIMZDRKJP-FLOXNTQESA-N 0 0 138.210 2.056 10 30 AEEERN CCC[C@H]1C[C@H](C#N)CCO1 69857732 572594870 /nfs/dbraw/zinc/59/48/70/572594870.db2.gz IZXQIGFLXHZXTR-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C=C1[C@@H](O)CCC(C)(C)[C@H]1C 306234843 572595086 /nfs/dbraw/zinc/59/50/86/572595086.db2.gz OBZKWBIUKUEKQT-IUCAKERBSA-N 0 0 154.253 2.360 10 30 AEEERN CCCC(O)(CCC)CC[C@@H]1CO1 114983983 572595109 /nfs/dbraw/zinc/59/51/09/572595109.db2.gz XKANSSMIRBOSEG-SNVBAGLBSA-N 0 0 186.295 2.497 10 30 AEEERN CC#C[C@@]1(CC)CCCC[C@@H]1O 306276668 572595193 /nfs/dbraw/zinc/59/51/93/572595193.db2.gz FELJKDBBKHPWCH-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@@H]1O[C@@H]1[C@H](C)Cc1ccncc1 251669514 572595263 /nfs/dbraw/zinc/59/52/63/572595263.db2.gz ONJUMDCOLKQAGL-ADEWGFFLSA-N 0 0 191.274 2.438 10 30 AEEERN CCC[C@@H]1C[C@@H](C#N)CCO1 69857734 572595289 /nfs/dbraw/zinc/59/52/89/572595289.db2.gz IZXQIGFLXHZXTR-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CC[C@@H]1O[C@H]1[C@H](C)Cc1ccncc1 251669518 572595385 /nfs/dbraw/zinc/59/53/85/572595385.db2.gz ONJUMDCOLKQAGL-USWWRNFRSA-N 0 0 191.274 2.438 10 30 AEEERN C=C(C)[C@H](NCC)c1cscn1 87595197 572595483 /nfs/dbraw/zinc/59/54/83/572595483.db2.gz HIOFGKXJBAACNQ-VIFPVBQESA-N 0 0 182.292 2.370 10 30 AEEERN C=C[C@H](O)c1cccc(OC)c1F 307551997 572595556 /nfs/dbraw/zinc/59/55/56/572595556.db2.gz ZYCHALARTJXGBM-QMMMGPOBSA-N 0 0 182.194 2.054 10 30 AEEERN CC#C/C=C/C[C@@H]1CCCC1=O 306230084 572595580 /nfs/dbraw/zinc/59/55/80/572595580.db2.gz KCTQLPUNVLRDRJ-ORAHPGNNSA-N 0 0 162.232 2.325 10 30 AEEERN C#C[C@@H](O)C1=CC[C@@H](C(=C)C)CC1 306290914 572595691 /nfs/dbraw/zinc/59/56/91/572595691.db2.gz QLYZLGXMLWILJT-ZYHUDNBSSA-N 0 0 176.259 2.283 10 30 AEEERN C#C[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1O 306274268 572595704 /nfs/dbraw/zinc/59/57/04/572595704.db2.gz CGLNEAUHPFXXFC-VWYCJHECSA-N 0 0 180.291 2.443 10 30 AEEERN C=CCCC(=O)/C=C\CC 307836709 572595791 /nfs/dbraw/zinc/59/57/91/572595791.db2.gz QKLKAAUFRULYHD-VURMDHGXSA-N 0 0 138.210 2.488 10 30 AEEERN O=CCC/C=C/C=C\Br 214851032 572595797 /nfs/dbraw/zinc/59/57/97/572595797.db2.gz DWDCGCDVZXVWDW-DHXNAFAQSA-N 0 0 189.052 2.430 10 30 AEEERN CC[C@]1(C)C[C@@H](C#N)CCO1 69857747 572595814 /nfs/dbraw/zinc/59/58/14/572595814.db2.gz OACPXDLQAONVDK-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN C#Cc1ccsc1Cl 306225667 572595895 /nfs/dbraw/zinc/59/58/95/572595895.db2.gz BODBMDCHJJNLDL-UHFFFAOYSA-N 0 0 142.610 2.383 10 30 AEEERN C=C1C=C2CC[C@@H](C)C[C@@H]2[C@H]1O 307522708 572596120 /nfs/dbraw/zinc/59/61/20/572596120.db2.gz CDTCHQSCGDXBJM-GGVZMXCHSA-N 0 0 164.248 2.280 10 30 AEEERN CC[C@]1(C)C[C@H](C#N)CCO1 69857739 572596141 /nfs/dbraw/zinc/59/61/41/572596141.db2.gz OACPXDLQAONVDK-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN C=C[C@H](C)SC[C@@H]1CCCO1 307568847 572596185 /nfs/dbraw/zinc/59/61/85/572596185.db2.gz URSYPPUUGBIOFP-IUCAKERBSA-N 0 0 172.293 2.473 10 30 AEEERN C=CCSc1ccc(C#N)cc1N 306234489 572596216 /nfs/dbraw/zinc/59/62/16/572596216.db2.gz FDTUCZUCJYFBCI-UHFFFAOYSA-N 0 0 190.271 2.419 10 30 AEEERN CC#C[C@H](O)c1ccc([C@H]2C[C@H]2C)o1 306288711 572596455 /nfs/dbraw/zinc/59/64/55/572596455.db2.gz MYGIBNSXCWDSRX-UTLUCORTSA-N 0 0 190.242 2.460 10 30 AEEERN C=C[C@H](O)[C@]1(OC)CCC[C@@H](C)C1 307590629 572596593 /nfs/dbraw/zinc/59/65/93/572596593.db2.gz GPXVHQVUQPFLTG-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN CC[C@@]1(C)C[C@@H](C#N)CCO1 69857751 572596617 /nfs/dbraw/zinc/59/66/17/572596617.db2.gz OACPXDLQAONVDK-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CCC[C@@H]1C[C@H](C#N)CCO1 69857728 572596699 /nfs/dbraw/zinc/59/66/99/572596699.db2.gz IZXQIGFLXHZXTR-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN C=C[C@@H](OC(C)=O)C(C)(C)C 307557829 572596762 /nfs/dbraw/zinc/59/67/62/572596762.db2.gz CHSYAHJLUGUIJT-MRVPVSSYSA-N 0 0 156.225 2.150 10 30 AEEERN CCCC(O)(CCC)CC[C@H]1CO1 114983987 572596862 /nfs/dbraw/zinc/59/68/62/572596862.db2.gz XKANSSMIRBOSEG-JTQLQIEISA-N 0 0 186.295 2.497 10 30 AEEERN C=C[C@H](C)C[C@H]1CCC[C@@H](O)O1 306273316 572596891 /nfs/dbraw/zinc/59/68/91/572596891.db2.gz ZBJUFQQTTPRFMI-AEJSXWLSSA-N 0 0 170.252 2.086 10 30 AEEERN C=C[C@]1(C)C(=O)[C@@H]2CCC=C[C@H]21 306275065 572596946 /nfs/dbraw/zinc/59/69/46/572596946.db2.gz FULQBNUBQHLVRP-KKZNHRDASA-N 0 0 162.232 2.344 10 30 AEEERN C=C(C)[C@](O)(CC)[C@@H]1C[C@H]1C 306323572 572600389 /nfs/dbraw/zinc/60/03/89/572600389.db2.gz OXGIOVKGIKNVMF-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@](C)(C=O)c1ccc(OC)cc1 238353497 572597052 /nfs/dbraw/zinc/59/70/52/572597052.db2.gz FPYGMUIZWMDVNB-GFCCVEGCSA-N 0 0 190.242 2.338 10 30 AEEERN CCC[C@H]1C[C@@H](C#N)CCO1 69857736 572597073 /nfs/dbraw/zinc/59/70/73/572597073.db2.gz IZXQIGFLXHZXTR-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN C=C[C@@H]1O[C@@H](c2ccccc2)C[C@H]1O 306204054 572597081 /nfs/dbraw/zinc/59/70/81/572597081.db2.gz YQXQXIJIDDMAMR-GRYCIOLGSA-N 0 0 190.242 2.064 10 30 AEEERN CC#C[C@@H](O)c1cc(F)ccc1C 307538564 572597198 /nfs/dbraw/zinc/59/71/98/572597198.db2.gz PSNVLPUEFPEQOJ-LLVKDONJSA-N 0 0 178.206 2.191 10 30 AEEERN C=CCSc1cc(C)nc(C)n1 306282344 572597233 /nfs/dbraw/zinc/59/72/33/572597233.db2.gz ABLZDKSKKAUXIS-UHFFFAOYSA-N 0 0 180.276 2.372 10 30 AEEERN C=C1[C@H](O)CCC(C)(C)[C@H]1C 306234841 572597325 /nfs/dbraw/zinc/59/73/25/572597325.db2.gz OBZKWBIUKUEKQT-DTWKUNHWSA-N 0 0 154.253 2.360 10 30 AEEERN OCCC#Cc1ccsc1Cl 306287411 572597477 /nfs/dbraw/zinc/59/74/77/572597477.db2.gz GYKWWCXCLNYXIW-UHFFFAOYSA-N 0 0 186.663 2.135 10 30 AEEERN CCCC(O)(CCC)C[C@H]1CO1 114979160 572597521 /nfs/dbraw/zinc/59/75/21/572597521.db2.gz IYXMPIUNRJSFRD-VIFPVBQESA-N 0 0 172.268 2.107 10 30 AEEERN CC[C@@]1(C)C[C@H](C#N)CCO1 69857742 572597790 /nfs/dbraw/zinc/59/77/90/572597790.db2.gz OACPXDLQAONVDK-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C=CCc1noc(C2CCCC2)n1 307515550 572597882 /nfs/dbraw/zinc/59/78/82/572597882.db2.gz PECKORTYKJXSPX-UHFFFAOYSA-N 0 0 178.235 2.456 10 30 AEEERN C=CCc1cc2c(cc1O)CCCO2 306337428 572598332 /nfs/dbraw/zinc/59/83/32/572598332.db2.gz IFVIGBVMRQXFDR-UHFFFAOYSA-N 0 0 190.242 2.446 10 30 AEEERN CC#CCC[C@](C)(O)C1CCC1 306212299 572598528 /nfs/dbraw/zinc/59/85/28/572598528.db2.gz RRUXCCYMLXZNFD-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=C[C@@H](C)[C@@H](O)CC(C)C 196518437 572599063 /nfs/dbraw/zinc/59/90/63/572599063.db2.gz DFPBBEYMOGULEH-BDAKNGLRSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@H](C)[C@H](O)CC(C)C 196518431 572599090 /nfs/dbraw/zinc/59/90/90/572599090.db2.gz DFPBBEYMOGULEH-DTWKUNHWSA-N 0 0 142.242 2.216 10 30 AEEERN CC1=CC(=O)C=C[C@@]1(C)Cl 196517716 572599120 /nfs/dbraw/zinc/59/91/20/572599120.db2.gz LOUWHLBTXFNIRO-MRVPVSSYSA-N 0 0 156.612 2.069 10 30 AEEERN CC1=CC(=O)C=C[C@]1(C)Cl 196517726 572599239 /nfs/dbraw/zinc/59/92/39/572599239.db2.gz LOUWHLBTXFNIRO-QMMMGPOBSA-N 0 0 156.612 2.069 10 30 AEEERN C=CCc1noc([C@@H]2CCSC2)n1 306349203 572599302 /nfs/dbraw/zinc/59/93/02/572599302.db2.gz USFDPRILKKXLHJ-SSDOTTSWSA-N 0 0 196.275 2.019 10 30 AEEERN C[C@@]1(Cl)C=CC(=O)C(Cl)=C1 196517700 572599337 /nfs/dbraw/zinc/59/93/37/572599337.db2.gz KXUNQFJLXUZSQU-SSDOTTSWSA-N 0 0 177.030 2.246 10 30 AEEERN C=CCCCC(=O)OCCCF 308071269 572599338 /nfs/dbraw/zinc/59/93/38/572599338.db2.gz BWICFXVSGSGNNF-UHFFFAOYSA-N 0 0 174.215 2.246 10 30 AEEERN C=C(CO)[C@@H]1CC[C@H](C)[C@H]1C 307522752 572599342 /nfs/dbraw/zinc/59/93/42/572599342.db2.gz CFNMRAMHTRXHFP-SFGNSQDASA-N 0 0 154.253 2.217 10 30 AEEERN C=C[C@H](C)c1noc([C@@H]2C[C@@H]2C)n1 306334541 572599343 /nfs/dbraw/zinc/59/93/43/572599343.db2.gz RNVRZPZTOYYAIV-BIIVOSGPSA-N 0 0 178.235 2.483 10 30 AEEERN C=C[C@H](C)[C@@H](O)CC(C)C 196518425 572599419 /nfs/dbraw/zinc/59/94/19/572599419.db2.gz DFPBBEYMOGULEH-IUCAKERBSA-N 0 0 142.242 2.216 10 30 AEEERN CC#CCC[C@@]1(O)CCC[C@H](OC)C1 234772398 572599470 /nfs/dbraw/zinc/59/94/70/572599470.db2.gz SFUOEFIQQSHNIK-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN C#C[C@H](C)OC(=O)C1CCCCC1 307556756 572599519 /nfs/dbraw/zinc/59/95/19/572599519.db2.gz UPPUKEXXVVKSND-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C=C(COC(=O)NC)c1ccccc1 238356190 572601845 /nfs/dbraw/zinc/60/18/45/572601845.db2.gz JOTJWRGNQUZAGH-UHFFFAOYSA-N 0 0 191.230 2.056 10 30 AEEERN C=C1C=C2CC[C@H](C)C[C@H]2[C@H]1O 307565596 572599651 /nfs/dbraw/zinc/59/96/51/572599651.db2.gz CDTCHQSCGDXBJM-XROYCOCOSA-N 0 0 164.248 2.280 10 30 AEEERN CC#C[C@H](O)CC1CCCCC1 306314116 572599814 /nfs/dbraw/zinc/59/98/14/572599814.db2.gz VPQKWUCVABRMLD-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC(C)C1(Cl)C=CC(=O)C=C1 196517670 572599841 /nfs/dbraw/zinc/59/98/41/572599841.db2.gz NWCMOHCWZDQGAF-UHFFFAOYSA-N 0 0 170.639 2.315 10 30 AEEERN C=C(C)CC[C@H]1COC(C)(C)C1=O 306303453 572599941 /nfs/dbraw/zinc/59/99/41/572599941.db2.gz FKFLTJAGTJTESL-VIFPVBQESA-N 0 0 182.263 2.337 10 30 AEEERN C=CCO[C@@H](CCC=O)C(C)C 196514123 572600055 /nfs/dbraw/zinc/60/00/55/572600055.db2.gz RYDUEQFIHKVNMN-JTQLQIEISA-N 0 0 170.252 2.193 10 30 AEEERN C/C=C\C(=O)CC1CCC1 307843163 572600097 /nfs/dbraw/zinc/60/00/97/572600097.db2.gz YWMZAIYLEQYTNS-RQOWECAXSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@H]1O[C@H]1[C@H](C)Cc1ccccn1 251639071 572600186 /nfs/dbraw/zinc/60/01/86/572600186.db2.gz MOUZPLRATQOIQI-USWWRNFRSA-N 0 0 191.274 2.438 10 30 AEEERN CC[C@@H]1O[C@@H]1[C@H](C)Cc1ccccn1 251639068 572600203 /nfs/dbraw/zinc/60/02/03/572600203.db2.gz MOUZPLRATQOIQI-ADEWGFFLSA-N 0 0 191.274 2.438 10 30 AEEERN C=C[C@H](/C=C\C)[C@@H](O)CC 307842773 572600359 /nfs/dbraw/zinc/60/03/59/572600359.db2.gz YKKYCTYFWZIWLQ-IUYFFOMESA-N 0 0 140.226 2.136 10 30 AEEERN C[C@]1(Cl)C=CC(=O)C(Cl)=C1 196517688 572600396 /nfs/dbraw/zinc/60/03/96/572600396.db2.gz KXUNQFJLXUZSQU-ZETCQYMHSA-N 0 0 177.030 2.246 10 30 AEEERN C=C1CC[C@@H]2CCC[C@H](O)[C@@H]12 306362613 572600523 /nfs/dbraw/zinc/60/05/23/572600523.db2.gz UEOFVRYZKQOENA-GUBZILKMSA-N 0 0 152.237 2.114 10 30 AEEERN C=C1C=C([C@@H](O)[C@H](C)O)CCC1(C)C 306362454 572600678 /nfs/dbraw/zinc/60/06/78/572600678.db2.gz SUUSQIUSFBKPEX-ONGXEEELSA-N 0 0 196.290 2.031 10 30 AEEERN C=C1CC[C@](O)(CCCC)[C@@H](O)C1 306363570 572600684 /nfs/dbraw/zinc/60/06/84/572600684.db2.gz YNQFMZAQSCFWBI-WDEREUQCSA-N 0 0 184.279 2.009 10 30 AEEERN C=C[C@@H](/C=C/C)[C@@H](O)CC 306390361 572600731 /nfs/dbraw/zinc/60/07/31/572600731.db2.gz YKKYCTYFWZIWLQ-DTHNXCEOSA-N 0 0 140.226 2.136 10 30 AEEERN C/C=C\C(=O)[C@@H](C)C(C)C 208983752 572600918 /nfs/dbraw/zinc/60/09/18/572600918.db2.gz BAPYBUOLJVKJHN-SLGIHZDVSA-N 0 0 140.226 2.424 10 30 AEEERN C=CCN(C)c1ccc(C#N)cc1C 306367198 572601013 /nfs/dbraw/zinc/60/10/13/572601013.db2.gz IQGPUZUYBASKCP-UHFFFAOYSA-N 0 0 186.258 2.489 10 30 AEEERN C=C[C@@H](O)/C=C\CCCC 307842784 572601089 /nfs/dbraw/zinc/60/10/89/572601089.db2.gz YLBUZFPQHAKRPP-UFGYOYAJSA-N 0 0 140.226 2.280 10 30 AEEERN CC#CCC[C@]1(O)CCC1(C)C 306311911 572601104 /nfs/dbraw/zinc/60/11/04/572601104.db2.gz ZAFYBZZDIALSAP-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=C1CC[C@H](O)[C@H]2CCCC[C@@]2(O)C1 307579911 572601227 /nfs/dbraw/zinc/60/12/27/572601227.db2.gz QNFFPSLRBGHPMI-GRYCIOLGSA-N 0 0 196.290 2.009 10 30 AEEERN N#CCc1nc2sccc2s1 74303208 572601292 /nfs/dbraw/zinc/60/12/92/572601292.db2.gz OCRDDOPSUXXVKY-UHFFFAOYSA-N 0 0 180.257 2.424 10 30 AEEERN C#CCSCCC(F)(F)F 306338896 572601387 /nfs/dbraw/zinc/60/13/87/572601387.db2.gz IYYMNRVRNXSWDZ-UHFFFAOYSA-N 0 0 168.183 2.305 10 30 AEEERN C#CC(C)(C)Oc1ccccc1OC 196655403 572601478 /nfs/dbraw/zinc/60/14/78/572601478.db2.gz YDLGXLAGJMKVKR-UHFFFAOYSA-N 0 0 190.242 2.486 10 30 AEEERN C=C(C)COC(=O)C=C1CCC1 308071373 572601557 /nfs/dbraw/zinc/60/15/57/572601557.db2.gz BNRVDYTUDLUVAQ-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C[C@H](C)SC[C@H]1CCCO1 307568846 572601607 /nfs/dbraw/zinc/60/16/07/572601607.db2.gz URSYPPUUGBIOFP-DTWKUNHWSA-N 0 0 172.293 2.473 10 30 AEEERN C#CC[C@@H](NN)[C@H](CCC)CC(C)C 308071505 572601610 /nfs/dbraw/zinc/60/16/10/572601610.db2.gz QNTJDJFROFMZPS-VXGBXAGGSA-N 0 0 196.338 2.304 10 30 AEEERN C=C(C)[C@]1(O)CCC1(C)C 307542921 572601647 /nfs/dbraw/zinc/60/16/47/572601647.db2.gz AMQSZYLPTYFCBP-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCOC(=O)c1csc(C)c1 308071129 572601750 /nfs/dbraw/zinc/60/17/50/572601750.db2.gz AXRHOODKQIOIBP-UHFFFAOYSA-N 0 0 182.244 2.399 10 30 AEEERN C=C(C)[C@H](O)C1(OC)CCCCC1 307573453 572601768 /nfs/dbraw/zinc/60/17/68/572601768.db2.gz DXKQIPZSQHDOMK-JTQLQIEISA-N 0 0 184.279 2.273 10 30 AEEERN C=C(C)[C@@H](O)c1cc(F)ccc1OC 307571187 572601779 /nfs/dbraw/zinc/60/17/79/572601779.db2.gz DWHSJIAMOKNSQF-LLVKDONJSA-N 0 0 196.221 2.444 10 30 AEEERN C#CCC[C@H](O)c1cncc(Cl)c1 306309722 572601870 /nfs/dbraw/zinc/60/18/70/572601870.db2.gz YGCPFXRDOLSJRH-JTQLQIEISA-N 0 0 195.649 2.182 10 30 AEEERN C#CC[C@H](NN)[C@H](CCC)CC(C)C 308071501 572601902 /nfs/dbraw/zinc/60/19/02/572601902.db2.gz QNTJDJFROFMZPS-NEPJUHHUSA-N 0 0 196.338 2.304 10 30 AEEERN C#CCCSC/C=C/C 306346753 572601912 /nfs/dbraw/zinc/60/19/12/572601912.db2.gz RGAPWHYSRRMGCH-GQCTYLIASA-N 0 0 140.251 2.319 10 30 AEEERN C#CC[C@]1(O)C[C@@H](C)c2ccccc21 306321881 572601920 /nfs/dbraw/zinc/60/19/20/572601920.db2.gz XMPPQWRJZOHKHP-MFKMUULPSA-N 0 0 186.254 2.405 10 30 AEEERN C=CC[C@H](O)Cc1ccncc1Cl 128248566 572602076 /nfs/dbraw/zinc/60/20/76/572602076.db2.gz SEPLOKYWXMGUHN-VIFPVBQESA-N 0 0 197.665 2.215 10 30 AEEERN C#CC[C@H](NN)[C@@H](CCC)CC(C)C 308071504 572602136 /nfs/dbraw/zinc/60/21/36/572602136.db2.gz QNTJDJFROFMZPS-RYUDHWBXSA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@H](O)/C=C\CCCC 307842783 572602159 /nfs/dbraw/zinc/60/21/59/572602159.db2.gz YLBUZFPQHAKRPP-FUOZMLNRSA-N 0 0 140.226 2.280 10 30 AEEERN C#CC[C@@H](NN)[C@@H](CCC)CC(C)C 308071502 572602194 /nfs/dbraw/zinc/60/21/94/572602194.db2.gz QNTJDJFROFMZPS-NWDGAFQWSA-N 0 0 196.338 2.304 10 30 AEEERN COC1(CC(=O)C=C(C)C)CCC1 234574656 572602310 /nfs/dbraw/zinc/60/23/10/572602310.db2.gz MMBZCRMILKUNKK-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCN(C)C(=O)Nc1cccs1 306378155 572602329 /nfs/dbraw/zinc/60/23/29/572602329.db2.gz NDCNPVVGNGBMFU-UHFFFAOYSA-N 0 0 196.275 2.398 10 30 AEEERN C=C[C@]1(C)CCC[C@@H](O)C1 306360322 572602381 /nfs/dbraw/zinc/60/23/81/572602381.db2.gz ABFXKMHZPXJNAJ-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)[C@](O)(CC)[C@H]1C[C@H]1C 306323569 572602420 /nfs/dbraw/zinc/60/24/20/572602420.db2.gz OXGIOVKGIKNVMF-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](O)[C@@H]1[C@@H](C)C=CC[C@H]1C 306318730 572602502 /nfs/dbraw/zinc/60/25/02/572602502.db2.gz IVSRHFUZVAGZFI-ZRUFSTJUSA-N 0 0 166.264 2.382 10 30 AEEERN C#Cc1ccc(COCC)cc1 140743940 572602719 /nfs/dbraw/zinc/60/27/19/572602719.db2.gz HNGFEDPQVQTWLD-UHFFFAOYSA-N 0 0 160.216 2.204 10 30 AEEERN C=C1CC[C@@](O)(CCCC)[C@H](O)C1 306363568 572602979 /nfs/dbraw/zinc/60/29/79/572602979.db2.gz YNQFMZAQSCFWBI-MNOVXSKESA-N 0 0 184.279 2.009 10 30 AEEERN C=C[C@H](C)c1noc([C@H]2C[C@@H]2C)n1 306334547 572602983 /nfs/dbraw/zinc/60/29/83/572602983.db2.gz RNVRZPZTOYYAIV-FXQIFTODSA-N 0 0 178.235 2.483 10 30 AEEERN C#C[C@H](C)OC(=O)c1occc1Cl 307582784 572603222 /nfs/dbraw/zinc/60/32/22/572603222.db2.gz WDKCSMXXYXRDIK-LURJTMIESA-N 0 0 198.605 2.112 10 30 AEEERN C=C(C)[C@@H](O)CC(C)(C)C[C@@H](C)O 196512513 572603323 /nfs/dbraw/zinc/60/33/23/572603323.db2.gz WHFBACPBANMNQU-ZJUUUORDSA-N 0 0 186.295 2.111 10 30 AEEERN N#C[C@@H]1O[C@@H]1c1c[nH]c2ccccc12 140755660 572603343 /nfs/dbraw/zinc/60/33/43/572603343.db2.gz PDHUVRGSGLQKHK-WDEREUQCSA-N 0 0 184.198 2.131 10 30 AEEERN C=CCC(=O)CC1(OC)CCC1 234575082 572603461 /nfs/dbraw/zinc/60/34/61/572603461.db2.gz NVULJSLAPWBDOV-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN N#C[C@H]1O[C@@H]1c1c[nH]c2ccccc12 140755842 572603536 /nfs/dbraw/zinc/60/35/36/572603536.db2.gz PDHUVRGSGLQKHK-GHMZBOCLSA-N 0 0 184.198 2.131 10 30 AEEERN CC#CCn1ccc(C(C)C)n1 307581829 572603568 /nfs/dbraw/zinc/60/35/68/572603568.db2.gz SJFZZQZACMLICM-UHFFFAOYSA-N 0 0 162.236 2.030 10 30 AEEERN C[C@@H](C=O)C1(C)SCCCS1 140756656 572603580 /nfs/dbraw/zinc/60/35/80/572603580.db2.gz XMPVTEXWPKZYRN-ZETCQYMHSA-N 0 0 190.333 2.408 10 30 AEEERN CC#CC[C@H](NN)[C@H](CC)CC(C)C 308072297 572604113 /nfs/dbraw/zinc/60/41/13/572604113.db2.gz RFKUUZQUJFHDFL-NEPJUHHUSA-N 0 0 196.338 2.304 10 30 AEEERN C=CC[C@@H]1C=C[C@H](O)C[C@H]1C 306325051 572604171 /nfs/dbraw/zinc/60/41/71/572604171.db2.gz RCXSGNCNXYLZRB-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN C=CCC(=NNC1CC1)C1CC1 308072171 572604192 /nfs/dbraw/zinc/60/41/92/572604192.db2.gz BYFCHWZOBHQCLT-UHFFFAOYSA-N 0 0 164.252 2.081 10 30 AEEERN CC#C[C@@H](O)CC1CCCCC1 306314115 572604194 /nfs/dbraw/zinc/60/41/94/572604194.db2.gz VPQKWUCVABRMLD-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC#C[C@@H](O)c1ccsc1Cl 306333127 572604258 /nfs/dbraw/zinc/60/42/58/572604258.db2.gz QVVOEWZQLNYEGJ-SSDOTTSWSA-N 0 0 186.663 2.458 10 30 AEEERN N#CCc1nc2cscc2s1 74303210 572604304 /nfs/dbraw/zinc/60/43/04/572604304.db2.gz LOSRSTGHSCEHCJ-UHFFFAOYSA-N 0 0 180.257 2.424 10 30 AEEERN CC[C@H](C#N)N1C[C@@H](C)S[C@H](C)C1 69908499 572604310 /nfs/dbraw/zinc/60/43/10/572604310.db2.gz HHJWJXQJZPXJNA-OPRDCNLKSA-N 0 0 198.335 2.114 10 30 AEEERN CC#CCCC(=O)CC1(OC)CCC1 234575193 572604347 /nfs/dbraw/zinc/60/43/47/572604347.db2.gz RKPSRAIYSZKOBL-UHFFFAOYSA-N 0 0 194.274 2.318 10 30 AEEERN C=C1[C@@H](O)CC[C@@H]1C(C)(C)CC(C)=O 306345215 572604362 /nfs/dbraw/zinc/60/43/62/572604362.db2.gz DKJRWTLGIJLDFX-QWRGUYRKSA-N 0 0 196.290 2.319 10 30 AEEERN C[Si](C)(C)C#CC[C@H]1C=CC[C@H]1O 306364549 572604413 /nfs/dbraw/zinc/60/44/13/572604413.db2.gz GIOVVJSUMNMDRT-GHMZBOCLSA-N 0 0 194.350 2.194 10 30 AEEERN C=C[C@]12CC[C@H](C)[C@H]1CC2=O 306301524 572604437 /nfs/dbraw/zinc/60/44/37/572604437.db2.gz MLRZWPBHTXEWPB-XKSSXDPKSA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@]12CC[C@@H](C)[C@H]1CC2=O 306301522 572604447 /nfs/dbraw/zinc/60/44/47/572604447.db2.gz MLRZWPBHTXEWPB-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN C=CC[C@@H]1C[C@@H](O)C[C@@H]1C=C 306302959 572604804 /nfs/dbraw/zinc/60/48/04/572604804.db2.gz AULHUKISZKQCBR-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1C=C([C@H](O)[C@@H](C)O)CCC1(C)C 306362453 572604948 /nfs/dbraw/zinc/60/49/48/572604948.db2.gz SUUSQIUSFBKPEX-MWLCHTKSSA-N 0 0 196.290 2.031 10 30 AEEERN CC[C@]1(C)C[C@@](Cl)(C#N)CCO1 69898600 572604963 /nfs/dbraw/zinc/60/49/63/572604963.db2.gz LTAQBMHXPPFVJD-RKDXNWHRSA-N 0 0 187.670 2.467 10 30 AEEERN CC#CC[C@H](NN)[C@@H](CC)CC(C)C 308072299 572604968 /nfs/dbraw/zinc/60/49/68/572604968.db2.gz RFKUUZQUJFHDFL-RYUDHWBXSA-N 0 0 196.338 2.304 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)C#Cc1ccccc1 306382070 572605009 /nfs/dbraw/zinc/60/50/09/572605009.db2.gz WXMMEZZHNFJDHM-JQWIXIFHSA-N 0 0 184.238 2.263 10 30 AEEERN CC#CC[C@@H](NN)[C@@H](CC)CC(C)C 308072298 572605030 /nfs/dbraw/zinc/60/50/30/572605030.db2.gz RFKUUZQUJFHDFL-NWDGAFQWSA-N 0 0 196.338 2.304 10 30 AEEERN C=C1CCC[C@]2(C)CC(=O)[C@H](O)C[C@@H]12 306363165 572605068 /nfs/dbraw/zinc/60/50/68/572605068.db2.gz WRDNXLOYFBZELX-HOSYDEDBSA-N 0 0 194.274 2.073 10 30 AEEERN CC1(C)C[C@](Cl)(C#N)CCO1 69898626 572605115 /nfs/dbraw/zinc/60/51/15/572605115.db2.gz IYDDHDYMMVJXBL-QMMMGPOBSA-N 0 0 173.643 2.077 10 30 AEEERN C=C(C)C(=O)CC1(OC)CCC1 234574599 572605121 /nfs/dbraw/zinc/60/51/21/572605121.db2.gz VSKLTIMVASHQHH-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C=C([C@H](O)[C@@H]1C[C@@H]1C)C(F)(F)F 306356151 572605148 /nfs/dbraw/zinc/60/51/48/572605148.db2.gz WKMMJKFULTVHMF-JHYUDYDFSA-N 0 0 180.169 2.122 10 30 AEEERN C=C(C)CC(=O)N[C@H]1CC=CCC1 306317550 572605187 /nfs/dbraw/zinc/60/51/87/572605187.db2.gz HXDHTEBBFSNWAH-JTQLQIEISA-N 0 0 179.263 2.178 10 30 AEEERN CC1(C)C[C@@](Cl)(C#N)CCO1 69898628 572605189 /nfs/dbraw/zinc/60/51/89/572605189.db2.gz IYDDHDYMMVJXBL-MRVPVSSYSA-N 0 0 173.643 2.077 10 30 AEEERN N#C[C@@H]1O[C@H]1c1c[nH]c2ccccc12 140755986 572605200 /nfs/dbraw/zinc/60/52/00/572605200.db2.gz PDHUVRGSGLQKHK-QWRGUYRKSA-N 0 0 184.198 2.131 10 30 AEEERN C#CC[NH2+]Cc1ccc2occc2c1 306301234 572605352 /nfs/dbraw/zinc/60/53/52/572605352.db2.gz GFNCWWNUAUVOAL-UHFFFAOYSA-N 0 0 185.226 2.156 10 30 AEEERN C[C@H](C#N)N(C)CC=C(Cl)Cl 403555597 572605588 /nfs/dbraw/zinc/60/55/88/572605588.db2.gz UBHRREBAWPGNOV-ZCFIWIBFSA-N 0 0 193.077 2.149 10 30 AEEERN C[C@H](C=O)C1(C)SCCCS1 140756831 572605613 /nfs/dbraw/zinc/60/56/13/572605613.db2.gz XMPVTEXWPKZYRN-SSDOTTSWSA-N 0 0 190.333 2.408 10 30 AEEERN CC[C@@]1(C)C[C@@](Cl)(C#N)CCO1 69898607 572605619 /nfs/dbraw/zinc/60/56/19/572605619.db2.gz LTAQBMHXPPFVJD-DTWKUNHWSA-N 0 0 187.670 2.467 10 30 AEEERN CC#C[C@H](O)c1ccsc1Cl 306333129 572605637 /nfs/dbraw/zinc/60/56/37/572605637.db2.gz QVVOEWZQLNYEGJ-ZETCQYMHSA-N 0 0 186.663 2.458 10 30 AEEERN C=C1CC[C@@H](OC)[C@H](C)CC[C@@H]1O 307591277 572605661 /nfs/dbraw/zinc/60/56/61/572605661.db2.gz HDMMWOLSLZUQAP-OUAUKWLOSA-N 0 0 184.279 2.129 10 30 AEEERN C#CCC[C@@H]1CCC[C@H](O)C1=C 306382133 572605729 /nfs/dbraw/zinc/60/57/29/572605729.db2.gz PEPNLOOEFGZSPC-MNOVXSKESA-N 0 0 164.248 2.117 10 30 AEEERN C[C@H]1CN([C@@H](C)CC#N)C[C@@H](C)S1 69908484 572605736 /nfs/dbraw/zinc/60/57/36/572605736.db2.gz DSAGKCFTRYXAIF-LPEHRKFASA-N 0 0 198.335 2.114 10 30 AEEERN C#CCON[C@H]1C[C@H](C)CC(C)(C)C1 306335563 572605745 /nfs/dbraw/zinc/60/57/45/572605745.db2.gz JRGSYWPWJXURTI-QWRGUYRKSA-N 0 0 195.306 2.356 10 30 AEEERN CC(C)C=Nc1ccccn1 255985177 572605864 /nfs/dbraw/zinc/60/58/64/572605864.db2.gz LGNULZAGNPAWBZ-UHFFFAOYSA-N 0 0 148.209 2.440 10 30 AEEERN C#C[C@H](/C=C/C)[C@@H]1CCCC[C@H]1O 306393872 572605886 /nfs/dbraw/zinc/60/58/86/572605886.db2.gz HPPKIYFIVIZGOI-MKRHTAPZSA-N 0 0 178.275 2.363 10 30 AEEERN C[C@@H](CC#N)N1C[C@@H](C)S[C@H](C)C1 69908486 572605936 /nfs/dbraw/zinc/60/59/36/572605936.db2.gz DSAGKCFTRYXAIF-IVZWLZJFSA-N 0 0 198.335 2.114 10 30 AEEERN C=C(C)CNc1nncc2ccoc12 306396878 572605943 /nfs/dbraw/zinc/60/59/43/572605943.db2.gz HZQXYTOOUFZOFO-UHFFFAOYSA-N 0 0 189.218 2.211 10 30 AEEERN C=C[C@@H](C)Sc1nccn1C 306346203 572605969 /nfs/dbraw/zinc/60/59/69/572605969.db2.gz QPUIWDAWEBSTFQ-SSDOTTSWSA-N 0 0 168.265 2.087 10 30 AEEERN CC#CCSC[C@H](F)CC 306316844 572605973 /nfs/dbraw/zinc/60/59/73/572605973.db2.gz RSWNTZDSVQRRAT-MRVPVSSYSA-N 0 0 160.257 2.491 10 30 AEEERN C=C(Cl)CN1CC(C(F)(F)F)C1 306340088 572606039 /nfs/dbraw/zinc/60/60/39/572606039.db2.gz KIFJWIYSLJNVGW-UHFFFAOYSA-N 0 0 199.603 2.233 10 30 AEEERN CCOC=Nc1sccc1C#N 255984532 572606043 /nfs/dbraw/zinc/60/60/43/572606043.db2.gz KYOORQPKEXLVHX-UHFFFAOYSA-N 0 0 180.232 2.316 10 30 AEEERN CC#CC[C@@H](NN)[C@H](CC)CC(C)C 308072300 572606060 /nfs/dbraw/zinc/60/60/60/572606060.db2.gz RFKUUZQUJFHDFL-VXGBXAGGSA-N 0 0 196.338 2.304 10 30 AEEERN CC[C@]1(C)C[C@](Cl)(C#N)CCO1 69898594 572606076 /nfs/dbraw/zinc/60/60/76/572606076.db2.gz LTAQBMHXPPFVJD-BDAKNGLRSA-N 0 0 187.670 2.467 10 30 AEEERN C#CCCCCCC(C)=O 140795043 572606189 /nfs/dbraw/zinc/60/61/89/572606189.db2.gz YMLQSBLNEDUPKY-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN C#CCON[C@@H]1C[C@H](C)CC(C)(C)C1 306335564 572606259 /nfs/dbraw/zinc/60/62/59/572606259.db2.gz JRGSYWPWJXURTI-WDEREUQCSA-N 0 0 195.306 2.356 10 30 AEEERN C=C(C)C(CCO)=C(C)C 140803763 572606238 /nfs/dbraw/zinc/60/62/38/572606238.db2.gz TWMMTVRNKVHFIP-UHFFFAOYSA-N 0 0 140.226 2.281 10 30 AEEERN CC[C@@]1(C)C[C@](Cl)(C#N)CCO1 69898598 572606322 /nfs/dbraw/zinc/60/63/22/572606322.db2.gz LTAQBMHXPPFVJD-IUCAKERBSA-N 0 0 187.670 2.467 10 30 AEEERN C=C(CC)CNc1ncccc1N 306313035 572606333 /nfs/dbraw/zinc/60/63/33/572606333.db2.gz UFIOKLQOZVGJSM-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN c1ccc2[nH]c([C@H]3CO3)cc2c1 140816660 572606412 /nfs/dbraw/zinc/60/64/12/572606412.db2.gz GTMKNVIXQQQITP-SNVBAGLBSA-N 0 0 159.188 2.239 10 30 AEEERN CC[C@@H](C#N)N1C[C@H](C)S[C@H](C)C1 69908496 572606465 /nfs/dbraw/zinc/60/64/65/572606465.db2.gz HHJWJXQJZPXJNA-AEJSXWLSSA-N 0 0 198.335 2.114 10 30 AEEERN CC1=CC(=O)C[C@@H](c2ccco2)O1 140709893 572606530 /nfs/dbraw/zinc/60/65/30/572606530.db2.gz HVHRRSBQKALLAA-JTQLQIEISA-N 0 0 178.187 2.214 10 30 AEEERN CC[C@H](C#N)N1C[C@H](C)S[C@H](C)C1 69908497 572606592 /nfs/dbraw/zinc/60/65/92/572606592.db2.gz HHJWJXQJZPXJNA-KXUCPTDWSA-N 0 0 198.335 2.114 10 30 AEEERN C=CC[C@@H]1C[C@@H](O)C[C@H]1C=C 306302960 572606753 /nfs/dbraw/zinc/60/67/53/572606753.db2.gz AULHUKISZKQCBR-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1CC[C@H]([C@]2(C)CO2)C[C@H]1CCO 306371280 572606863 /nfs/dbraw/zinc/60/68/63/572606863.db2.gz MGTXZPIMKUMXEC-WOPDTQHZSA-N 0 0 196.290 2.130 10 30 AEEERN C=C(C)CC[C@@H]1COC(C)(C)C1=O 306303451 572606936 /nfs/dbraw/zinc/60/69/36/572606936.db2.gz FKFLTJAGTJTESL-SECBINFHSA-N 0 0 182.263 2.337 10 30 AEEERN C=C[C@H]1CCCCC(=O)C1=C 140781266 572607015 /nfs/dbraw/zinc/60/70/15/572607015.db2.gz WZWHZSWPDFTRHL-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN N#Cc1c(Cl)ccc2c1CCC2=O 714107131 572607034 /nfs/dbraw/zinc/60/70/34/572607034.db2.gz BGZQUXCYXZLIPD-UHFFFAOYSA-N 0 0 191.617 2.341 10 30 AEEERN C#CC[C@@H](O)c1csc(C)c1 306329186 572607385 /nfs/dbraw/zinc/60/73/85/572607385.db2.gz OFGNVCZCZBQRBW-SECBINFHSA-N 0 0 166.245 2.113 10 30 AEEERN C=CCSc1cccc(C#N)c1N 306398528 572607397 /nfs/dbraw/zinc/60/73/97/572607397.db2.gz JVMPHIFDXCBHIR-UHFFFAOYSA-N 0 0 190.271 2.419 10 30 AEEERN C#C[C@@H](O)c1cccc(C(C)C)c1 306340889 572607455 /nfs/dbraw/zinc/60/74/55/572607455.db2.gz ZZFICMDZAZDOAB-GFCCVEGCSA-N 0 0 174.243 2.477 10 30 AEEERN N#Cc1c(Cl)ccc2c1C(=O)CC2 714105812 572607466 /nfs/dbraw/zinc/60/74/66/572607466.db2.gz QEQNAHNKKPOMBP-UHFFFAOYSA-N 0 0 191.617 2.341 10 30 AEEERN CCC#C[C@H](C)[N@@H+]1CCC[C@H]2C[C@H]21 307544205 572607508 /nfs/dbraw/zinc/60/75/08/572607508.db2.gz VQXZDAFUWMASAJ-SDDRHHMPSA-N 0 0 177.291 2.273 10 30 AEEERN C=C[C@@H]1C[C@]2(C)CC(=O)[C@H]3[C@@H]2[C@@H]13 306333777 572607525 /nfs/dbraw/zinc/60/75/25/572607525.db2.gz IKDDGWRNTKWHGC-BEKOTUFOSA-N 0 0 162.232 2.034 10 30 AEEERN O=C1C=CC2=C(CCC2)CC1 140778539 572607551 /nfs/dbraw/zinc/60/75/51/572607551.db2.gz YJUGFGKNTNRRNW-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN C#C[C@H](/C=C/C)[C@H]1CCCC[C@H]1O 306393868 572607569 /nfs/dbraw/zinc/60/75/69/572607569.db2.gz HPPKIYFIVIZGOI-AZYUOFIKSA-N 0 0 178.275 2.363 10 30 AEEERN C=C[C@H](C)SC1CCOCC1 306342878 572607616 /nfs/dbraw/zinc/60/76/16/572607616.db2.gz BFQUHJFRAXWBIE-QMMMGPOBSA-N 0 0 172.293 2.473 10 30 AEEERN C=C[C@H](O)[C@H]1[C@@H](C)CC=C[C@H]1C 306318728 572607690 /nfs/dbraw/zinc/60/76/90/572607690.db2.gz IVSRHFUZVAGZFI-VPOLOUISSA-N 0 0 166.264 2.382 10 30 AEEERN CCc1nc(CC)c([C@H](C)C#N)o1 74306065 572607745 /nfs/dbraw/zinc/60/77/45/572607745.db2.gz PSKLBXUNLSBOQR-SSDOTTSWSA-N 0 0 178.235 2.426 10 30 AEEERN CO/C(=C/CCCCCCC#N)CO 238356742 572607830 /nfs/dbraw/zinc/60/78/30/572607830.db2.gz URYXLMLOZJFFSE-DHZHZOJOSA-N 0 0 197.278 2.373 10 30 AEEERN C=C1C=C([C@@H](O)[C@@H](C)O)CCC1(C)C 306362452 572607871 /nfs/dbraw/zinc/60/78/71/572607871.db2.gz SUUSQIUSFBKPEX-KOLCDFICSA-N 0 0 196.290 2.031 10 30 AEEERN N#CCCc1scc2c1CCN2 74305847 572607916 /nfs/dbraw/zinc/60/79/16/572607916.db2.gz RPWNJKOGXJDYPV-UHFFFAOYSA-N 0 0 178.260 2.172 10 30 AEEERN Cc1nc(CC#N)oc1C(C)(C)C 74306069 572607944 /nfs/dbraw/zinc/60/79/44/572607944.db2.gz AQBZVIZTEIOECT-UHFFFAOYSA-N 0 0 178.235 2.347 10 30 AEEERN C=CCN(CCC#N)CC(=C)Cl 308076864 572608096 /nfs/dbraw/zinc/60/80/96/572608096.db2.gz FXIGBVSHEGWXCS-UHFFFAOYSA-N 0 0 184.670 2.141 10 30 AEEERN C=C(CC)CNc1ccc(N)cn1 306319380 572608160 /nfs/dbraw/zinc/60/81/60/572608160.db2.gz JVAXMCGJSGVGOO-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN CCc1oc(CC#N)nc1C(C)C 74306068 572608181 /nfs/dbraw/zinc/60/81/81/572608181.db2.gz DYFSXVSXVDSYEP-UHFFFAOYSA-N 0 0 178.235 2.426 10 30 AEEERN C=CC[C@@H]1c2ccccc2C[C@@H]1O 307510373 572609325 /nfs/dbraw/zinc/60/93/25/572609325.db2.gz CQLMHCFONYBBAB-NEPJUHHUSA-N 0 0 174.243 2.263 10 30 AEEERN CCC(=O)[C@H](C)C[C@H](C)[C@H]1CO1 255985968 572608386 /nfs/dbraw/zinc/60/83/86/572608386.db2.gz LQHJAQYQAYERCP-KHQFGBGNSA-N 0 0 170.252 2.027 10 30 AEEERN C=C(C)c1cnnn1-c1ccccc1 72186970 572608428 /nfs/dbraw/zinc/60/84/28/572608428.db2.gz GKGNSNBRYZTBQE-UHFFFAOYSA-N 0 0 185.230 2.300 10 30 AEEERN Cc1cnc2cccc(C#N)c2c1 140799856 572608442 /nfs/dbraw/zinc/60/84/42/572608442.db2.gz XMROGTGFFMNKHG-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN C=C(C)CN(C)c1ccc(C)cn1 306302510 572608460 /nfs/dbraw/zinc/60/84/60/572608460.db2.gz GWSUIBOUQGGIGQ-UHFFFAOYSA-N 0 0 176.263 2.402 10 30 AEEERN C=C1CCC[C@]2(C)CC(=O)[C@H](O)C[C@H]12 306363164 572608480 /nfs/dbraw/zinc/60/84/80/572608480.db2.gz WRDNXLOYFBZELX-CKYFFXLPSA-N 0 0 194.274 2.073 10 30 AEEERN CC[C@@H]1C[C@H]([C@H](C)C=O)CCO1 251686732 572608539 /nfs/dbraw/zinc/60/85/39/572608539.db2.gz PPYRAMMJVQAION-OPRDCNLKSA-N 0 0 170.252 2.027 10 30 AEEERN CCC(=O)[C@H](C)C[C@@H](C)[C@H]1CO1 255985969 572608550 /nfs/dbraw/zinc/60/85/50/572608550.db2.gz LQHJAQYQAYERCP-NQMVMOMDSA-N 0 0 170.252 2.027 10 30 AEEERN C=C1CCCC(C)(C)[C@@H]1O 196659204 572608566 /nfs/dbraw/zinc/60/85/66/572608566.db2.gz MPUQFCBHOLMGIF-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(/C=C/C(=O)NC(C)(C)C)CC 308073308 572608572 /nfs/dbraw/zinc/60/85/72/572608572.db2.gz LHOSJOUGKDHWNP-BQYQJAHWSA-N 0 0 181.279 2.424 10 30 AEEERN C=C([C@H](O)[C@H]1C[C@@H]1C)C(F)(F)F 306356153 572608671 /nfs/dbraw/zinc/60/86/71/572608671.db2.gz WKMMJKFULTVHMF-QTSITTDLSA-N 0 0 180.169 2.122 10 30 AEEERN C=CC[C@@H]1C[C@H](C)CC(=O)[C@@H]1[C@@H](C)O 306326923 572608822 /nfs/dbraw/zinc/60/88/22/572608822.db2.gz XJBUORGUILBLKC-BTQIBKBOSA-N 0 0 196.290 2.175 10 30 AEEERN CC1=CC(=O)C[C@H](c2ccco2)O1 140709691 572609001 /nfs/dbraw/zinc/60/90/01/572609001.db2.gz HVHRRSBQKALLAA-SNVBAGLBSA-N 0 0 178.187 2.214 10 30 AEEERN Cc1nsc(CC2CC2)c1C#N 74305829 572609104 /nfs/dbraw/zinc/60/91/04/572609104.db2.gz HLTOVPHXHRBMFD-UHFFFAOYSA-N 0 0 178.260 2.276 10 30 AEEERN C=C(C)COC(=O)/C=C\C1CC1 308073557 572609140 /nfs/dbraw/zinc/60/91/40/572609140.db2.gz CIXAHDOCBSBUIA-WAYWQWQTSA-N 0 0 166.220 2.072 10 30 AEEERN C=C(CO)Sc1ccccc1 196660218 572609239 /nfs/dbraw/zinc/60/92/39/572609239.db2.gz SRBGZCGXNPWDNC-UHFFFAOYSA-N 0 0 166.245 2.285 10 30 AEEERN C#CCCSCCOCC(C)C 308073062 572609252 /nfs/dbraw/zinc/60/92/52/572609252.db2.gz CIDWRQFGZVLYQY-UHFFFAOYSA-N 0 0 186.320 2.416 10 30 AEEERN O=CCCC/C=C/c1cccnc1 308073718 572609296 /nfs/dbraw/zinc/60/92/96/572609296.db2.gz JVTIXBPIMAGNAI-ZZXKWVIFSA-N 0 0 175.231 2.464 10 30 AEEERN C=CC[C@]1(O)CCC[C@@]12CCC[C@@H]2O 307512691 572609300 /nfs/dbraw/zinc/60/93/00/572609300.db2.gz PSRMQVVVWURMPU-TUAOUCFPSA-N 0 0 196.290 2.009 10 30 AEEERN C=CCN(C)c1ccc(NC)cc1 115191897 572609329 /nfs/dbraw/zinc/60/93/29/572609329.db2.gz LCBSNWFWZPQXTP-UHFFFAOYSA-N 0 0 176.263 2.351 10 30 AEEERN C=CCCSc1nccc(C)n1 308072857 572609332 /nfs/dbraw/zinc/60/93/32/572609332.db2.gz BKDPCKGSVUSIAY-UHFFFAOYSA-N 0 0 180.276 2.453 10 30 AEEERN C[Si](C)(C)C#CC[C@@H]1C=CC[C@@H]1O 306364562 572609441 /nfs/dbraw/zinc/60/94/41/572609441.db2.gz GIOVVJSUMNMDRT-QWRGUYRKSA-N 0 0 194.350 2.194 10 30 AEEERN CCCC(=O)[C@H](C#N)c1ccncc1 87618672 572609521 /nfs/dbraw/zinc/60/95/21/572609521.db2.gz MHVJNNYZOVZTRL-SNVBAGLBSA-N 0 0 188.230 2.058 10 30 AEEERN CCCC(=O)[C@@H](C#N)c1ccncc1 87618671 572609559 /nfs/dbraw/zinc/60/95/59/572609559.db2.gz MHVJNNYZOVZTRL-JTQLQIEISA-N 0 0 188.230 2.058 10 30 AEEERN C=C[C@@H]1CC[C@@H]2C=C[C@@H](O)[C@H]2C1 306394684 572609576 /nfs/dbraw/zinc/60/95/76/572609576.db2.gz GBCKRVKKHZPKBK-CHWFTXMASA-N 0 0 164.248 2.136 10 30 AEEERN C#CC[C@H](O)c1csc(C)c1 306329187 572609663 /nfs/dbraw/zinc/60/96/63/572609663.db2.gz OFGNVCZCZBQRBW-VIFPVBQESA-N 0 0 166.245 2.113 10 30 AEEERN c1ccc2[nH]c([C@@H]3CO3)cc2c1 140816470 572609687 /nfs/dbraw/zinc/60/96/87/572609687.db2.gz GTMKNVIXQQQITP-JTQLQIEISA-N 0 0 159.188 2.239 10 30 AEEERN CCCN[C@H](C#N)[C@@H](C)C(C)C 308076988 572609705 /nfs/dbraw/zinc/60/97/05/572609705.db2.gz GHPXPPSYJAIZFM-VHSXEESVSA-N 0 0 168.284 2.170 10 30 AEEERN C=C1CC[C@H]([C@]2(C)CO2)C[C@@H]1CCO 306371268 572609748 /nfs/dbraw/zinc/60/97/48/572609748.db2.gz MGTXZPIMKUMXEC-SRVKXCTJSA-N 0 0 196.290 2.130 10 30 AEEERN CCCN[C@@H](C#N)[C@@H](C)C(C)C 308076987 572609845 /nfs/dbraw/zinc/60/98/45/572609845.db2.gz GHPXPPSYJAIZFM-UWVGGRQHSA-N 0 0 168.284 2.170 10 30 AEEERN C=C(C)CC(=O)N1CCCC[C@@H]1C 307546363 572609982 /nfs/dbraw/zinc/60/99/82/572609982.db2.gz ZKXXUASDRMNIJP-JTQLQIEISA-N 0 0 181.279 2.354 10 30 AEEERN CCc1snc(C2CC2)c1C#N 74305827 572610028 /nfs/dbraw/zinc/61/00/28/572610028.db2.gz UERROBGMFSNNIR-UHFFFAOYSA-N 0 0 178.260 2.455 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)C#Cc1ccccc1 306382072 572610185 /nfs/dbraw/zinc/61/01/85/572610185.db2.gz WXMMEZZHNFJDHM-PWSUYJOCSA-N 0 0 184.238 2.263 10 30 AEEERN CC[C@@H]1C[C@@H]([C@H](C)C=O)CCO1 251686730 572610215 /nfs/dbraw/zinc/61/02/15/572610215.db2.gz PPYRAMMJVQAION-KXUCPTDWSA-N 0 0 170.252 2.027 10 30 AEEERN C=C(C)COC(=O)/C=C/C1CC1 308073555 572610225 /nfs/dbraw/zinc/61/02/25/572610225.db2.gz CIXAHDOCBSBUIA-AATRIKPKSA-N 0 0 166.220 2.072 10 30 AEEERN CCCC(=O)[C@@H](C#N)c1cccnc1 87617830 572610388 /nfs/dbraw/zinc/61/03/88/572610388.db2.gz ORPKYKBRSNBFPW-JTQLQIEISA-N 0 0 188.230 2.058 10 30 AEEERN CCCN[C@H](C#N)[C@H](C)C(C)C 308076985 572610418 /nfs/dbraw/zinc/61/04/18/572610418.db2.gz GHPXPPSYJAIZFM-NXEZZACHSA-N 0 0 168.284 2.170 10 30 AEEERN C=C1C=CC(=O)[C@H]1c1ccccc1 140852920 572610474 /nfs/dbraw/zinc/61/04/74/572610474.db2.gz FZEQORMLMKJCPK-GFCCVEGCSA-N 0 0 170.211 2.465 10 30 AEEERN CCCC(=O)[C@H](C#N)c1cccnc1 87617832 572610489 /nfs/dbraw/zinc/61/04/89/572610489.db2.gz ORPKYKBRSNBFPW-SNVBAGLBSA-N 0 0 188.230 2.058 10 30 AEEERN Cc1nc(CC(C)C)oc1CC#N 74306061 572610510 /nfs/dbraw/zinc/61/05/10/572610510.db2.gz ICUUXVHECJTFLH-UHFFFAOYSA-N 0 0 178.235 2.248 10 30 AEEERN C#CCCNc1ncc(CC)s1 306340967 572610605 /nfs/dbraw/zinc/61/06/05/572610605.db2.gz XALAXDCSIOCUFT-UHFFFAOYSA-N 0 0 180.276 2.141 10 30 AEEERN C#CCOc1ccc(Cl)cc1F 306320167 572610646 /nfs/dbraw/zinc/61/06/46/572610646.db2.gz WNDWLOMPEPOKPI-UHFFFAOYSA-N 0 0 184.597 2.491 10 30 AEEERN C=C(C)[C@H]1CC[C@@H](O)CC1 306364463 572610663 /nfs/dbraw/zinc/61/06/63/572610663.db2.gz GFWXDEKBJSPZDR-DTORHVGOSA-N 0 0 140.226 2.114 10 30 AEEERN C=C1[C@H](O)CC[C@@]2(C)C(=O)CC[C@@]12C 306335545 572610704 /nfs/dbraw/zinc/61/07/04/572610704.db2.gz JPAQKAUILPUXDD-USWWRNFRSA-N 0 0 194.274 2.073 10 30 AEEERN C#C[C@H](/C=C/C)[C@H](O)C(C)(C)C 307583616 572611045 /nfs/dbraw/zinc/61/10/45/572611045.db2.gz ZEMYXGFEJWJTHO-ZQMPTTJKSA-N 0 0 166.264 2.219 10 30 AEEERN C=C1CCCC(C)(C)[C@H]1O 196659194 572611104 /nfs/dbraw/zinc/61/11/04/572611104.db2.gz MPUQFCBHOLMGIF-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@@H](C)N[C@H](C)C(F)(F)F 307545310 572611137 /nfs/dbraw/zinc/61/11/37/572611137.db2.gz ARCSPLNLCKYJLT-PHDIDXHHSA-N 0 0 167.174 2.101 10 30 AEEERN C=C[C@]1(C)CCC[C@@](C)(O)[C@H]1CCO 306360313 572611210 /nfs/dbraw/zinc/61/12/10/572611210.db2.gz MJIXILLMDNSZQE-QJPTWQEYSA-N 0 0 198.306 2.112 10 30 AEEERN C#CCON[C@@H]1C[C@@H](C)CC(C)(C)C1 306335561 572611582 /nfs/dbraw/zinc/61/15/82/572611582.db2.gz JRGSYWPWJXURTI-GHMZBOCLSA-N 0 0 195.306 2.356 10 30 AEEERN C#CC[C@@]1(O)C[C@H](C)c2ccccc21 306321880 572611597 /nfs/dbraw/zinc/61/15/97/572611597.db2.gz XMPPQWRJZOHKHP-GXFFZTMASA-N 0 0 186.254 2.405 10 30 AEEERN C=CC1CCN(C(=O)OC(C)C)CC1 115242043 572611647 /nfs/dbraw/zinc/61/16/47/572611647.db2.gz CYJBAXPBFPANPR-UHFFFAOYSA-N 0 0 197.278 2.429 10 30 AEEERN C=C[C@](C)(CO)c1ccc(F)cc1 306342341 572611690 /nfs/dbraw/zinc/61/16/90/572611690.db2.gz ZUDHDMBDWFPTEE-LLVKDONJSA-N 0 0 180.222 2.262 10 30 AEEERN CC(C)Cc1c[nH]c([C@@H](C)C#N)n1 74306880 572614308 /nfs/dbraw/zinc/61/43/08/572614308.db2.gz VLJRTWYYTHEOGP-QMMMGPOBSA-N 0 0 177.251 2.235 10 30 AEEERN C=CCc1noc([C@H]2CCSC2)n1 306349204 572611988 /nfs/dbraw/zinc/61/19/88/572611988.db2.gz USFDPRILKKXLHJ-ZETCQYMHSA-N 0 0 196.275 2.019 10 30 AEEERN C=C(C)[C@@H](O)C1(SC)CCC1 306338213 572611995 /nfs/dbraw/zinc/61/19/95/572611995.db2.gz XNIDODDCSHLXIV-MRVPVSSYSA-N 0 0 172.293 2.209 10 30 AEEERN CCCCCC/C=C(\C)C(N)=O 115234307 572612029 /nfs/dbraw/zinc/61/20/29/572612029.db2.gz ZJCZHWSVKJNYMJ-CMDGGOBGSA-N 0 0 169.268 2.388 10 30 AEEERN CO[C@@H]1[C@H](CC=O)[C@@H]1c1ccccc1 238358680 572612432 /nfs/dbraw/zinc/61/24/32/572612432.db2.gz LFMVSRFEYGOGCM-GRYCIOLGSA-N 0 0 190.242 2.004 10 30 AEEERN C=CCON=Cc1ccc(C)o1 308075038 572612206 /nfs/dbraw/zinc/61/22/06/572612206.db2.gz COWVABDSBWMKIY-UHFFFAOYSA-N 0 0 165.192 2.125 10 30 AEEERN C=C1C=C(CCC)C(=O)C1 140826432 572612351 /nfs/dbraw/zinc/61/23/51/572612351.db2.gz HTLMGXVJXGPXRE-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C=CCc1noc([C@H]2CC2(C)C)n1 306345208 572612460 /nfs/dbraw/zinc/61/24/60/572612460.db2.gz DJQOXWXFCUMLDW-SSDOTTSWSA-N 0 0 178.235 2.312 10 30 AEEERN C#CCN(C)c1ccccc1CC 306327839 572613077 /nfs/dbraw/zinc/61/30/77/572613077.db2.gz ALAREBRUYPHEKT-UHFFFAOYSA-N 0 0 173.259 2.318 10 30 AEEERN C=CC[C@H](O)c1ccc(C)c(C)n1 306387601 572612438 /nfs/dbraw/zinc/61/24/38/572612438.db2.gz ZWALZGLXRAPUST-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN C=C[C@@](O)(CCC)C1CC1 306367287 572612582 /nfs/dbraw/zinc/61/25/82/572612582.db2.gz GUKZANKJSLKUEE-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN CC(C)(C)C=C=CC(=O)c1cn[nH]c1 306339025 572612605 /nfs/dbraw/zinc/61/26/05/572612605.db2.gz JIRHIUXJVLQADN-UHFFFAOYSA-N 0 0 190.246 2.032 10 30 AEEERN C=C[C@H](NN)[C@@H](CCC)CC(C)C 308075243 572612618 /nfs/dbraw/zinc/61/26/18/572612618.db2.gz UTNWMCRSVLBREW-QWRGUYRKSA-N 0 0 184.327 2.467 10 30 AEEERN C=C1C=CC(=O)[C@@H]1c1ccccc1 140852777 572612710 /nfs/dbraw/zinc/61/27/10/572612710.db2.gz FZEQORMLMKJCPK-LBPRGKRZSA-N 0 0 170.211 2.465 10 30 AEEERN C=CCCCCOC(=O)C(F)(F)F 115276915 572612722 /nfs/dbraw/zinc/61/27/22/572612722.db2.gz JSEHMFGRGCOJOF-UHFFFAOYSA-N 0 0 196.168 2.448 10 30 AEEERN C=C1[C@@H](O)CCC(C)(C)[C@@H]1C(=O)CC 307583640 572612900 /nfs/dbraw/zinc/61/29/00/572612900.db2.gz ZHLSGIDBSZIYPF-QWRGUYRKSA-N 0 0 196.290 2.319 10 30 AEEERN C=CC[C@H](CO)CCC#CCC 308075048 572612952 /nfs/dbraw/zinc/61/29/52/572612952.db2.gz DAAVYYOKMPIENR-NSHDSACASA-N 0 0 166.264 2.365 10 30 AEEERN C=C(C)COC(=O)[C@@H]1CCCS1 308075046 572613061 /nfs/dbraw/zinc/61/30/61/572613061.db2.gz CZSOIPJDNWOTIM-QMMMGPOBSA-N 0 0 186.276 2.001 10 30 AEEERN C=C1C=C2CC[C@H](C)C[C@H]2[C@@H]1O 307565595 572617485 /nfs/dbraw/zinc/61/74/85/572617485.db2.gz CDTCHQSCGDXBJM-WHGOUJPWSA-N 0 0 164.248 2.280 10 30 AEEERN Cc1nc2c(C#N)c(C)[nH]c2s1 74307127 572613254 /nfs/dbraw/zinc/61/32/54/572613254.db2.gz DANIMPUENSONKU-UHFFFAOYSA-N 0 0 177.232 2.113 10 30 AEEERN C#CC[C@@H](O)C(C)(C)C1CCC1 306340739 572613311 /nfs/dbraw/zinc/61/33/11/572613311.db2.gz WXTLNXPHIJSVSZ-SNVBAGLBSA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@@H](C)Sc1nccc(C)n1 306335427 572613303 /nfs/dbraw/zinc/61/33/03/572613303.db2.gz SAJZJVKVMBABJB-MRVPVSSYSA-N 0 0 180.276 2.452 10 30 AEEERN C=C[C@@H]1CC[C@@H]2C=C[C@H](O)[C@H]2C1 306394686 572613352 /nfs/dbraw/zinc/61/33/52/572613352.db2.gz GBCKRVKKHZPKBK-ZNSHCXBVSA-N 0 0 164.248 2.136 10 30 AEEERN C=CC/C(=C/C)C(=S)NC 238358005 572613428 /nfs/dbraw/zinc/61/34/28/572613428.db2.gz WRNQSFBYRWLBOJ-ALCCZGGFSA-N 0 0 155.266 2.056 10 30 AEEERN C=C(C)[C@@H](O)[C@@H]1[C@@H](C)C1(C)C 307552818 572613455 /nfs/dbraw/zinc/61/34/55/572613455.db2.gz QOWAFEKPIDVVQG-HRDYMLBCSA-N 0 0 154.253 2.216 10 30 AEEERN C=C1CC[C@](O)(CCCC)[C@H](O)C1 306363567 572613463 /nfs/dbraw/zinc/61/34/63/572613463.db2.gz YNQFMZAQSCFWBI-GHMZBOCLSA-N 0 0 184.279 2.009 10 30 AEEERN CC(C)Cc1c[nH]c([C@H](C)C#N)n1 74306883 572613508 /nfs/dbraw/zinc/61/35/08/572613508.db2.gz VLJRTWYYTHEOGP-MRVPVSSYSA-N 0 0 177.251 2.235 10 30 AEEERN C=CC[C@H](O)C#Cc1ccc(F)cc1 306344174 572613522 /nfs/dbraw/zinc/61/35/22/572613522.db2.gz CFZADOYWLLPWSS-LBPRGKRZSA-N 0 0 190.217 2.114 10 30 AEEERN C#CCCCC(=O)CC1(OC)CCC1 234575517 572613529 /nfs/dbraw/zinc/61/35/29/572613529.db2.gz FATJTVDHVKJGGP-UHFFFAOYSA-N 0 0 194.274 2.318 10 30 AEEERN C=C(c1cccc(OC)c1)[C@@H](C)CO 238361218 572613588 /nfs/dbraw/zinc/61/35/88/572613588.db2.gz WYPWBPFWSHOXQV-VIFPVBQESA-N 0 0 192.258 2.337 10 30 AEEERN CCON=Cc1[nH]c(C)cc1C 308075054 572613773 /nfs/dbraw/zinc/61/37/73/572613773.db2.gz CPUQRDDBDDNHKB-UHFFFAOYSA-N 0 0 166.224 2.002 10 30 AEEERN C#CCSCc1ncccc1C 306364786 572613815 /nfs/dbraw/zinc/61/38/15/572613815.db2.gz DASGSEYRPQQXEM-UHFFFAOYSA-N 0 0 177.272 2.256 10 30 AEEERN CC(C)C(=O)OCC#CC(C)(C)C 306319002 572613828 /nfs/dbraw/zinc/61/38/28/572613828.db2.gz IHEHHFXKHSGMBJ-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN C=C(CCO)c1cccc(OC)c1 238361168 572613956 /nfs/dbraw/zinc/61/39/56/572613956.db2.gz SWPBBOCYTFYEJA-UHFFFAOYSA-N 0 0 178.231 2.091 10 30 AEEERN C/C=C/C#C/C=C/Cl 306307729 572614073 /nfs/dbraw/zinc/61/40/73/572614073.db2.gz NVSWEFQHPBDSQX-BLWKUPHCSA-N 0 0 126.586 2.318 10 30 AEEERN C=C[C@@H]1CC[C@@H](C=C)C12CC[C@H](O)O2 307581265 572614202 /nfs/dbraw/zinc/61/42/02/572614202.db2.gz CFEBVNXEFHQMLD-GMTAPVOTSA-N 0 0 194.274 2.252 10 30 AEEERN C=C[C@@H](NN)[C@@H](CCC)CC(C)C 308075245 572614367 /nfs/dbraw/zinc/61/43/67/572614367.db2.gz UTNWMCRSVLBREW-WDEREUQCSA-N 0 0 184.327 2.467 10 30 AEEERN C=C([C@@H](O)C(C)(F)F)C(F)(F)F 306340722 572614369 /nfs/dbraw/zinc/61/43/69/572614369.db2.gz WVHYOOBWKDDYRH-SCSAIBSYSA-N 0 0 190.111 2.121 10 30 AEEERN COCCCc1cccc(CC=O)c1 238359135 572614478 /nfs/dbraw/zinc/61/44/78/572614478.db2.gz JOKTUGVTVMHMMJ-UHFFFAOYSA-N 0 0 192.258 2.007 10 30 AEEERN C=C[C@@H](NN)[C@H](CCC)CC(C)C 308075240 572614493 /nfs/dbraw/zinc/61/44/93/572614493.db2.gz UTNWMCRSVLBREW-GHMZBOCLSA-N 0 0 184.327 2.467 10 30 AEEERN CC(C)(CNCC#N)c1cccs1 87619676 572614533 /nfs/dbraw/zinc/61/45/33/572614533.db2.gz OJOPVXHJMAMCTO-UHFFFAOYSA-N 0 0 194.303 2.139 10 30 AEEERN C=C(C)CC[C@@H]1COC(C)(C)[C@H]1O 306382645 572614595 /nfs/dbraw/zinc/61/45/95/572614595.db2.gz PLNYWMBBVKXJJA-ZJUUUORDSA-N 0 0 184.279 2.129 10 30 AEEERN C#CCC[C@@H]1CCC[C@@H](O)C1=C 306382131 572615004 /nfs/dbraw/zinc/61/50/04/572615004.db2.gz PEPNLOOEFGZSPC-GHMZBOCLSA-N 0 0 164.248 2.117 10 30 AEEERN C#C[C@H](O)c1cccc(C(C)C)c1 306340890 572615099 /nfs/dbraw/zinc/61/50/99/572615099.db2.gz ZZFICMDZAZDOAB-LBPRGKRZSA-N 0 0 174.243 2.477 10 30 AEEERN C=C[C@H](C)n1cc(C(C)=O)nc1C 306375857 572615126 /nfs/dbraw/zinc/61/51/26/572615126.db2.gz YRNIAJHSMHFWSR-ZETCQYMHSA-N 0 0 178.235 2.141 10 30 AEEERN C=CC[C@@H]1C=C[C@@H](O)C[C@H]1C 306325054 572615219 /nfs/dbraw/zinc/61/52/19/572615219.db2.gz RCXSGNCNXYLZRB-OPRDCNLKSA-N 0 0 152.237 2.136 10 30 AEEERN C=C(CCCO)c1cccc(OC)c1 238361112 572615295 /nfs/dbraw/zinc/61/52/95/572615295.db2.gz VOFRWWUHCDVTRI-UHFFFAOYSA-N 0 0 192.258 2.481 10 30 AEEERN FC(F)(F)CON=CC1(F)CC1 308074921 572615563 /nfs/dbraw/zinc/61/55/63/572615563.db2.gz DUCBUVLFBJVAKX-UHFFFAOYSA-N 0 0 185.120 2.053 10 30 AEEERN COC(=O)C#CC(C(C)C)C(C)C 306389021 572615806 /nfs/dbraw/zinc/61/58/06/572615806.db2.gz PVKGBAWHVIUHCI-UHFFFAOYSA-N 0 0 182.263 2.091 10 30 AEEERN CCOc1ccc2c(c1)CCC2=NO 379487402 572615907 /nfs/dbraw/zinc/61/59/07/572615907.db2.gz ABYHLSPOSCNVHS-UHFFFAOYSA-N 0 0 191.230 2.210 10 30 AEEERN C=CCOc1c(F)cccc1OC 115361100 572615969 /nfs/dbraw/zinc/61/59/69/572615969.db2.gz AOYTWORRLQTMJR-UHFFFAOYSA-N 0 0 182.194 2.399 10 30 AEEERN Cc1cn(-c2ccc(C#N)cc2)cn1 115368650 572616024 /nfs/dbraw/zinc/61/60/24/572616024.db2.gz GJZUHSFKIVFWFX-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN C=C[C@H](NN)[C@H](CCC)CC(C)C 308075241 572616053 /nfs/dbraw/zinc/61/60/53/572616053.db2.gz UTNWMCRSVLBREW-MNOVXSKESA-N 0 0 184.327 2.467 10 30 AEEERN C=CCCC(=O)CC1(OC)CCC1 234575457 572617522 /nfs/dbraw/zinc/61/75/22/572617522.db2.gz MQRAQNDJGGRONS-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN C#CCC(=O)C(C)(C)C1CCC1 306314094 572616299 /nfs/dbraw/zinc/61/62/99/572616299.db2.gz VKYQBXVNCDWPTJ-UHFFFAOYSA-N 0 0 164.248 2.405 10 30 AEEERN C=C(C)CNc1cc(C)nc(C#N)c1 306382377 572617548 /nfs/dbraw/zinc/61/75/48/572617548.db2.gz TZCYAVWSETUYOV-UHFFFAOYSA-N 0 0 187.246 2.250 10 30 AEEERN CC[C@@H]1CCCN(C)[C@]1(C)C#N 251709500 572616593 /nfs/dbraw/zinc/61/65/93/572616593.db2.gz JKSPMVBEIJTKOC-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN CCCc1nccn1[C@@H](C#N)CC 69963948 572617555 /nfs/dbraw/zinc/61/75/55/572617555.db2.gz OAELJUIJHZPVFN-SECBINFHSA-N 0 0 177.251 2.310 10 30 AEEERN CC[C@H]1CCCN(C)[C@]1(C)C#N 251709502 572616743 /nfs/dbraw/zinc/61/67/43/572616743.db2.gz JKSPMVBEIJTKOC-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN COc1ccc(C)c2ncc(C#N)cc12 714112997 572616835 /nfs/dbraw/zinc/61/68/35/572616835.db2.gz CXEJJRRRDHJNQC-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN C=CCc1noc([C@@H]2CCCS2)n1 306362987 572616884 /nfs/dbraw/zinc/61/68/84/572616884.db2.gz VXSADJCAWPPSCZ-ZETCQYMHSA-N 0 0 196.275 2.366 10 30 AEEERN C=COCC(C)(C)C=C 307584295 572616923 /nfs/dbraw/zinc/61/69/23/572616923.db2.gz HTORFXGHKSABPH-UHFFFAOYSA-N 0 0 126.199 2.359 10 30 AEEERN C=C(c1cccc(OC)c1)[C@H](C)CO 238361254 572616979 /nfs/dbraw/zinc/61/69/79/572616979.db2.gz WYPWBPFWSHOXQV-SECBINFHSA-N 0 0 192.258 2.337 10 30 AEEERN CCCNC1(C#N)CCCCC1 20177881 572617007 /nfs/dbraw/zinc/61/70/07/572617007.db2.gz PSUIRNXMELEXMW-UHFFFAOYSA-N 0 0 166.268 2.212 10 30 AEEERN C#C[C@H]([C@@H](O)CC)C(C)(C)C 306325266 572617588 /nfs/dbraw/zinc/61/75/88/572617588.db2.gz WCVXAQCSMRUNOC-BDAKNGLRSA-N 0 0 154.253 2.053 10 30 AEEERN C=C(Cl)CNC(=O)[C@H]1C=CCCC1 306381369 572617179 /nfs/dbraw/zinc/61/71/79/572617179.db2.gz RYBJDZDYYJDPSE-VIFPVBQESA-N 0 0 199.681 2.211 10 30 AEEERN C=C(C)[C@@H](O)C1(OC)CCCCC1 307573460 572617340 /nfs/dbraw/zinc/61/73/40/572617340.db2.gz DXKQIPZSQHDOMK-SNVBAGLBSA-N 0 0 184.279 2.273 10 30 AEEERN CC#C[C@H](O)C1CCC(C)CC1 307572404 572617384 /nfs/dbraw/zinc/61/73/84/572617384.db2.gz DWENTRBGGCIXFS-ILDUYXDCSA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@H]1C(=O)CCC[C@@H]1C 196840919 572617439 /nfs/dbraw/zinc/61/74/39/572617439.db2.gz UBKVMWUIUJPGOY-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(C#N)c2ccc(=O)[nH]c12 714112995 572617458 /nfs/dbraw/zinc/61/74/58/572617458.db2.gz CWSVSTWVDGNOFY-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C#CCNC1(C(F)F)CCCCC1 306358747 572617644 /nfs/dbraw/zinc/61/76/44/572617644.db2.gz AKYVWJINYFAZPE-UHFFFAOYSA-N 0 0 187.233 2.177 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)C#Cc1ccccc1 306382073 572617689 /nfs/dbraw/zinc/61/76/89/572617689.db2.gz WXMMEZZHNFJDHM-ZYHUDNBSSA-N 0 0 184.238 2.263 10 30 AEEERN COc1ccc(SC)cc1CC#N 115334632 572617931 /nfs/dbraw/zinc/61/79/31/572617931.db2.gz YTLFQDWGVHFOGM-UHFFFAOYSA-N 0 0 193.271 2.483 10 30 AEEERN C=CCc1cc(OCOC)ccc1O 238359386 572617937 /nfs/dbraw/zinc/61/79/37/572617937.db2.gz OBCSOQHUBOQDJQ-UHFFFAOYSA-N 0 0 194.230 2.103 10 30 AEEERN C#Cc1cccc2c1C(=O)CCC2 714112364 572617954 /nfs/dbraw/zinc/61/79/54/572617954.db2.gz XSQDWVDBCLDAPT-UHFFFAOYSA-N 0 0 170.211 2.187 10 30 AEEERN CCCNc1nc(CC#N)cs1 74301608 572618034 /nfs/dbraw/zinc/61/80/34/572618034.db2.gz NHFAVGWNTWTHKR-UHFFFAOYSA-N 0 0 181.264 2.031 10 30 AEEERN C=C[C@@H](C)S[C@@H](C)C(C)=O 307583455 572618214 /nfs/dbraw/zinc/61/82/14/572618214.db2.gz YOYHJUGFOBEQNI-SVRRBLITSA-N 0 0 158.266 2.272 10 30 AEEERN C=C1C=C([C@H](O)[C@H](C)O)CCC1(C)C 306362451 572618260 /nfs/dbraw/zinc/61/82/60/572618260.db2.gz SUUSQIUSFBKPEX-GXSJLCMTSA-N 0 0 196.290 2.031 10 30 AEEERN C=C[C@@]1(C)CCC[C@H](O)C1 306360319 572619050 /nfs/dbraw/zinc/61/90/50/572619050.db2.gz ABFXKMHZPXJNAJ-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C#CC(=C)[C@H]1Cc2ccccc2[C@H]1O 306394371 572618315 /nfs/dbraw/zinc/61/83/15/572618315.db2.gz FQKPBBQKVVQWNZ-CHWSQXEVSA-N 0 0 184.238 2.082 10 30 AEEERN C=C[C@H](O)[C@@H]1[C@H](C)C=CC[C@H]1C 306318726 572618342 /nfs/dbraw/zinc/61/83/42/572618342.db2.gz IVSRHFUZVAGZFI-CHWFTXMASA-N 0 0 166.264 2.382 10 30 AEEERN C=C(C)[C@](O)(CC)[C@@H]1C[C@@H]1C 306323566 572618344 /nfs/dbraw/zinc/61/83/44/572618344.db2.gz OXGIOVKGIKNVMF-IVZWLZJFSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](C)SC(C)(C)CO 306328672 572618584 /nfs/dbraw/zinc/61/85/84/572618584.db2.gz LWBRHYNJYFSDCB-ZETCQYMHSA-N 0 0 160.282 2.065 10 30 AEEERN CC[C@@H](C)S[C@@H](C)C#N 47822611 572618597 /nfs/dbraw/zinc/61/85/97/572618597.db2.gz GZFUITVDPLLPHO-RQJHMYQMSA-N 0 0 143.255 2.430 10 30 AEEERN C=C[C@@H](C)n1cc(C(C)=O)nc1C 306375856 572618688 /nfs/dbraw/zinc/61/86/88/572618688.db2.gz YRNIAJHSMHFWSR-SSDOTTSWSA-N 0 0 178.235 2.141 10 30 AEEERN C=C[C@H](/C=C/C)[C@@H](O)CC 306390360 572618887 /nfs/dbraw/zinc/61/88/87/572618887.db2.gz YKKYCTYFWZIWLQ-CNTVWIKJSA-N 0 0 140.226 2.136 10 30 AEEERN C=C1CC[C@H]([C@@]2(C)CO2)C[C@@H]1CCO 306371255 572618968 /nfs/dbraw/zinc/61/89/68/572618968.db2.gz MGTXZPIMKUMXEC-SDDRHHMPSA-N 0 0 196.290 2.130 10 30 AEEERN C[Si](C)(C)C#CC[C@@H]1C=CC[C@H]1O 306364569 572619016 /nfs/dbraw/zinc/61/90/16/572619016.db2.gz GIOVVJSUMNMDRT-WDEREUQCSA-N 0 0 194.350 2.194 10 30 AEEERN C=CC[C@@H](O)c1ccc(C)c(C)n1 306387600 572619172 /nfs/dbraw/zinc/61/91/72/572619172.db2.gz ZWALZGLXRAPUST-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN C=C1CC[C@@H]2CCC[C@@H](O)[C@H]12 306362614 572619162 /nfs/dbraw/zinc/61/91/62/572619162.db2.gz UEOFVRYZKQOENA-IVZWLZJFSA-N 0 0 152.237 2.114 10 30 AEEERN C[Si](C)(C)C#CC[C@H]1C=CC[C@@H]1O 306364555 572619242 /nfs/dbraw/zinc/61/92/42/572619242.db2.gz GIOVVJSUMNMDRT-MNOVXSKESA-N 0 0 194.350 2.194 10 30 AEEERN CC#CCSc1nnc(C(C)C)o1 306329364 572619295 /nfs/dbraw/zinc/61/92/95/572619295.db2.gz ZDSXCEHJBZMCCW-UHFFFAOYSA-N 0 0 196.275 2.308 10 30 AEEERN C=C(C)C[S@](=O)c1ccc(C)cn1 306338333 572619402 /nfs/dbraw/zinc/61/94/02/572619402.db2.gz UUEPPBCZOJBZEI-ZDUSSCGKSA-N 0 0 195.287 2.074 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1ccccc1F 47826463 572619494 /nfs/dbraw/zinc/61/94/94/572619494.db2.gz JCKUACHAXNPFLY-BDAKNGLRSA-N 0 0 192.237 2.388 10 30 AEEERN CC(C)c1[nH]c2cc[nH]c2c1C#N 74309590 572619578 /nfs/dbraw/zinc/61/95/78/572619578.db2.gz VYFOLJRQMXIVNP-UHFFFAOYSA-N 0 0 173.219 2.491 10 30 AEEERN Cc1[nH]c2c(O)cccc2c1C#N 83271929 572619688 /nfs/dbraw/zinc/61/96/88/572619688.db2.gz CIEXBMWYHKRSDD-UHFFFAOYSA-N 0 0 172.187 2.054 10 30 AEEERN N#Cc1cc2cccc(F)c2o1 83269405 572619723 /nfs/dbraw/zinc/61/97/23/572619723.db2.gz PJYCPDQKAVTIHU-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN CC(C)=C1C=CC(=O)C1(C)C 196647276 572619797 /nfs/dbraw/zinc/61/97/97/572619797.db2.gz HAYZPFFZZVECOM-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1ccc(F)cc1N[C@H](C)C#N 47826298 572619972 /nfs/dbraw/zinc/61/99/72/572619972.db2.gz LKPLEEPBIUQJDL-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1cc([C@@H](C#N)NC(C)C)sn1 404466339 572620003 /nfs/dbraw/zinc/62/00/03/572620003.db2.gz SQTNPPYZXDXSBN-MRVPVSSYSA-N 0 0 195.291 2.014 10 30 AEEERN Cc1cc(F)ccc1N[C@H](C)C#N 47826391 572620014 /nfs/dbraw/zinc/62/00/14/572620014.db2.gz QRFYYOICYCBHIQ-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN CC(C)=C1C(=O)[C@H](C)[C@@H]1C 196651379 572620097 /nfs/dbraw/zinc/62/00/97/572620097.db2.gz DIJXTSFLXVZDOM-NKWVEPMBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1CC[C@@H]2CCC[C@H](O)[C@H]12 306362615 572620170 /nfs/dbraw/zinc/62/01/70/572620170.db2.gz UEOFVRYZKQOENA-LPEHRKFASA-N 0 0 152.237 2.114 10 30 AEEERN C=C[C@@H]1C[C@@H](c2ccccc2)NC1=O 196650464 572620594 /nfs/dbraw/zinc/62/05/94/572620594.db2.gz CWTWZCFGKPNTCI-KOLCDFICSA-N 0 0 187.242 2.050 10 30 AEEERN C=C(Cl)Cn1cc(C(C)=O)nc1C 306367172 572621499 /nfs/dbraw/zinc/62/14/99/572621499.db2.gz IJXZMLHSYFWAAS-UHFFFAOYSA-N 0 0 198.653 2.147 10 30 AEEERN Cc1cc(F)ccc1N[C@@H](C)C#N 47826390 572620194 /nfs/dbraw/zinc/62/01/94/572620194.db2.gz QRFYYOICYCBHIQ-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN C=C(C)CC(=O)N[C@@H]1CC=CCC1 306317551 572620208 /nfs/dbraw/zinc/62/02/08/572620208.db2.gz HXDHTEBBFSNWAH-SNVBAGLBSA-N 0 0 179.263 2.178 10 30 AEEERN C=C[C@@H]1C[C@H](c2ccccc2)NC1=O 196650444 572620246 /nfs/dbraw/zinc/62/02/46/572620246.db2.gz CWTWZCFGKPNTCI-MWLCHTKSSA-N 0 0 187.242 2.050 10 30 AEEERN CC(C)=C1C(=O)[C@@H](C)[C@H]1C 196651349 572620291 /nfs/dbraw/zinc/62/02/91/572620291.db2.gz DIJXTSFLXVZDOM-RQJHMYQMSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H](C)[N@H+]1C[C@@H](C)OC[C@@H]1CC 307612681 572622047 /nfs/dbraw/zinc/62/20/47/572622047.db2.gz ITMJWIGCHQJNKA-AXFHLTTASA-N 0 0 183.295 2.060 10 30 AEEERN C=C1CC[C@@H]2CCC[C@@H](O)[C@@H]12 306362612 572620441 /nfs/dbraw/zinc/62/04/41/572620441.db2.gz UEOFVRYZKQOENA-AEJSXWLSSA-N 0 0 152.237 2.114 10 30 AEEERN Cc1cc([C@H](C#N)NC(C)C)sn1 404466340 572620555 /nfs/dbraw/zinc/62/05/55/572620555.db2.gz SQTNPPYZXDXSBN-QMMMGPOBSA-N 0 0 195.291 2.014 10 30 AEEERN C[C@@H]1CCC2=C1CCCC2=O 196644078 572620556 /nfs/dbraw/zinc/62/05/56/572620556.db2.gz VZPIFEFIPUCWEE-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN C#C[C@]1(C)C[C@@H]2C(=O)CCC[C@H]21 306336987 572620618 /nfs/dbraw/zinc/62/06/18/572620618.db2.gz WCXHGRXNXUSCCU-IQJOONFLSA-N 0 0 162.232 2.015 10 30 AEEERN O[C@H](C#Cc1ccccc1)CC1CC1 306320575 572620641 /nfs/dbraw/zinc/62/06/41/572620641.db2.gz KFRIVHNGYFJSTD-CYBMUJFWSA-N 0 0 186.254 2.199 10 30 AEEERN Cc1[nH]c2cccc(F)c2c1C#N 83272225 572620690 /nfs/dbraw/zinc/62/06/90/572620690.db2.gz WNOQSKMHZDGALR-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CO[C@H]1CCC[C@](Cl)(C#N)C1 234769705 572620707 /nfs/dbraw/zinc/62/07/07/572620707.db2.gz NKKRJNQQVVIMSJ-JGVFFNPUSA-N 0 0 173.643 2.077 10 30 AEEERN C=C[C@H]1C[C@H](c2ccccc2)NC1=O 196650454 572621421 /nfs/dbraw/zinc/62/14/21/572621421.db2.gz CWTWZCFGKPNTCI-GXSJLCMTSA-N 0 0 187.242 2.050 10 30 AEEERN C=C[C@H](C)c1noc([C@H]2C[C@H]2C)n1 306334552 572620778 /nfs/dbraw/zinc/62/07/78/572620778.db2.gz RNVRZPZTOYYAIV-RNJXMRFFSA-N 0 0 178.235 2.483 10 30 AEEERN C=C(C)CC[C@H]1COC(C)(C)[C@H]1O 306382643 572620789 /nfs/dbraw/zinc/62/07/89/572620789.db2.gz PLNYWMBBVKXJJA-UWVGGRQHSA-N 0 0 184.279 2.129 10 30 AEEERN CCN=Nc1nncc2ccccc12 255990712 572620889 /nfs/dbraw/zinc/62/08/89/572620889.db2.gz NSPWRNBZYRNYGK-UHFFFAOYSA-N 0 0 186.218 2.047 10 30 AEEERN COc1ccc(CC(Cl)=NO)cc1 308079550 572620950 /nfs/dbraw/zinc/62/09/50/572620950.db2.gz ASSJBSJNDSEJJW-UHFFFAOYSA-N 0 0 199.637 2.264 10 30 AEEERN C#CCC[C@](C)(O)[C@H]1CC1(C)C 307655869 572621435 /nfs/dbraw/zinc/62/14/35/572621435.db2.gz XVNVGBKBZXCIOT-ONGXEEELSA-N 0 0 166.264 2.197 10 30 AEEERN C=C(C)C[S@@](=O)c1ccc(C)cn1 306338332 572620989 /nfs/dbraw/zinc/62/09/89/572620989.db2.gz UUEPPBCZOJBZEI-CYBMUJFWSA-N 0 0 195.287 2.074 10 30 AEEERN C=C[C@H](C)Sc1nccc(C)n1 306335428 572621034 /nfs/dbraw/zinc/62/10/34/572621034.db2.gz SAJZJVKVMBABJB-QMMMGPOBSA-N 0 0 180.276 2.452 10 30 AEEERN O[C@H]1c2ccccc2CCC[C@H]1S 196645228 572621042 /nfs/dbraw/zinc/62/10/42/572621042.db2.gz XRGDHEUCESWSPA-MNOVXSKESA-N 0 0 194.299 2.355 10 30 AEEERN O[C@H]1c2ccccc2CCC[C@@H]1S 196645218 572621102 /nfs/dbraw/zinc/62/11/02/572621102.db2.gz XRGDHEUCESWSPA-QWRGUYRKSA-N 0 0 194.299 2.355 10 30 AEEERN C=C(C)CC[C@H]1COC(C)(C)[C@@H]1O 306382644 572621153 /nfs/dbraw/zinc/62/11/53/572621153.db2.gz PLNYWMBBVKXJJA-VHSXEESVSA-N 0 0 184.279 2.129 10 30 AEEERN O[C@@H]1c2ccccc2CCC[C@H]1S 196645205 572621160 /nfs/dbraw/zinc/62/11/60/572621160.db2.gz XRGDHEUCESWSPA-GHMZBOCLSA-N 0 0 194.299 2.355 10 30 AEEERN CC(C)(C=NO)Sc1ccccn1 255993069 572621168 /nfs/dbraw/zinc/62/11/68/572621168.db2.gz OTBSVNPFLXCHDK-UHFFFAOYSA-N 0 0 196.275 2.412 10 30 AEEERN C=C(C)[C@](O)(CC)[C@H]1C[C@@H]1C 306323571 572621185 /nfs/dbraw/zinc/62/11/85/572621185.db2.gz OXGIOVKGIKNVMF-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN C=CCC[C@H](O)[C@@]1(C)C[C@@H]1C 307638435 572621253 /nfs/dbraw/zinc/62/12/53/572621253.db2.gz AJKVWVSIWOCCMF-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN Cc1c(C#N)[nH]c2ccc(F)cc12 83272223 572621290 /nfs/dbraw/zinc/62/12/90/572621290.db2.gz HESPZXPAUZDGDM-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1cc(C)c2c(C#N)cn(C)c2n1 72322765 572621309 /nfs/dbraw/zinc/62/13/09/572621309.db2.gz GDCQBMKVTZJCQY-UHFFFAOYSA-N 0 0 185.230 2.062 10 30 AEEERN N#CCc1cc2n(c1)CCCCS2 214700859 572621318 /nfs/dbraw/zinc/62/13/18/572621318.db2.gz RHXQVEDSAWVWJU-UHFFFAOYSA-N 0 0 192.287 2.440 10 30 AEEERN C=C(C)[C@@H]1C(=O)C[C@H](C)[C@H]1C 306347158 572621326 /nfs/dbraw/zinc/62/13/26/572621326.db2.gz CPNFMOZXEONTIK-XKSSXDPKSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1[C@H](O)CC[C@@H]1C(C)(C)CC(C)=O 306345216 572621332 /nfs/dbraw/zinc/62/13/32/572621332.db2.gz DKJRWTLGIJLDFX-WDEREUQCSA-N 0 0 196.290 2.319 10 30 AEEERN C=C/C(C)=C\C(=O)C(C)C 196649729 572621355 /nfs/dbraw/zinc/62/13/55/572621355.db2.gz VSJKOPVRNKXFQI-VURMDHGXSA-N 0 0 138.210 2.344 10 30 AEEERN C=C[C@H]1C[C@@H](c2ccccc2)NC1=O 196650474 572621386 /nfs/dbraw/zinc/62/13/86/572621386.db2.gz CWTWZCFGKPNTCI-ONGXEEELSA-N 0 0 187.242 2.050 10 30 AEEERN CC[C@@H](C)S[C@H](C)C#N 47822619 572621508 /nfs/dbraw/zinc/62/15/08/572621508.db2.gz GZFUITVDPLLPHO-RNFRBKRXSA-N 0 0 143.255 2.430 10 30 AEEERN C=C[C@](O)(CC)[C@H]1CC1(C)C 307639521 572621512 /nfs/dbraw/zinc/62/15/12/572621512.db2.gz FRANRBDQENZSAJ-WPRPVWTQSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)CCCC#CCC#CCO 196650106 572621545 /nfs/dbraw/zinc/62/15/45/572621545.db2.gz RVEFQXRRYVVSAO-UHFFFAOYSA-N 0 0 178.275 2.202 10 30 AEEERN CC(C)=C1C(=O)[C@@H](C)[C@@H]1C 196651360 572621656 /nfs/dbraw/zinc/62/16/56/572621656.db2.gz DIJXTSFLXVZDOM-BQBZGAKWSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1cc(C#N)c2[nH]c(=O)ccc2c1 714113226 572621677 /nfs/dbraw/zinc/62/16/77/572621677.db2.gz YMLBUYBRCVLQMS-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C#CCON[C@@H]1CCCC(C)(C)C1 306316378 572621710 /nfs/dbraw/zinc/62/17/10/572621710.db2.gz ADYQZPPBPAMOLP-SNVBAGLBSA-N 0 0 181.279 2.110 10 30 AEEERN Cc1cccc2ccc(C#N)nc12 83270727 572621712 /nfs/dbraw/zinc/62/17/12/572621712.db2.gz NRSGGTBZJUJOEE-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN CC=C=CC(=O)c1cccc(N)c1F 306354297 572621736 /nfs/dbraw/zinc/62/17/36/572621736.db2.gz QPUXZYVCDHDJIJ-UHFFFAOYSA-N 0 0 191.205 2.004 10 30 AEEERN C=C1CC[C@]2(C)[C@@H](O)CC[C@H]12 306343594 572621794 /nfs/dbraw/zinc/62/17/94/572621794.db2.gz NKDBVVVSKBOOBJ-UTLUCORTSA-N 0 0 152.237 2.114 10 30 AEEERN C[C@H](C#N)Nc1cc(F)ccc1F 47826285 572621804 /nfs/dbraw/zinc/62/18/04/572621804.db2.gz VLWGMNWHYLRSLE-ZCFIWIBFSA-N 0 0 182.173 2.289 10 30 AEEERN C=CCNc1c(F)cccc1OC 306384486 572621884 /nfs/dbraw/zinc/62/18/84/572621884.db2.gz QVMLJFRZCPHEFN-UHFFFAOYSA-N 0 0 181.210 2.432 10 30 AEEERN CC#C[C@@](C)(O)c1cc(F)cc(F)c1 306361215 572621916 /nfs/dbraw/zinc/62/19/16/572621916.db2.gz OPMUVYAKOMGDOY-LLVKDONJSA-N 0 0 196.196 2.196 10 30 AEEERN CC[C@H](C)S[C@@H](C)C#N 47822615 572621918 /nfs/dbraw/zinc/62/19/18/572621918.db2.gz GZFUITVDPLLPHO-BQBZGAKWSA-N 0 0 143.255 2.430 10 30 AEEERN C=C1[C@H](O)CC[C@@]2(C)C(=O)CC[C@]12C 306335544 572621949 /nfs/dbraw/zinc/62/19/49/572621949.db2.gz JPAQKAUILPUXDD-JLLWLGSASA-N 0 0 194.274 2.073 10 30 AEEERN C#CCCCC(=O)C1=CCCC1 236399061 572622028 /nfs/dbraw/zinc/62/20/28/572622028.db2.gz IKKXBWVHGMXGBW-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN CC(C)=C1C(=O)[C@H](C)[C@H]1C 196651369 572622118 /nfs/dbraw/zinc/62/21/18/572622118.db2.gz DIJXTSFLXVZDOM-RNFRBKRXSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@H](C)S[C@H](C)C#N 47822623 572622192 /nfs/dbraw/zinc/62/21/92/572622192.db2.gz GZFUITVDPLLPHO-NKWVEPMBSA-N 0 0 143.255 2.430 10 30 AEEERN C=C(/C=C/Cl)C1(C)OCCO1 306320520 572622306 /nfs/dbraw/zinc/62/23/06/572622306.db2.gz AXTASLVVVLKUGM-ONEGZZNKSA-N 0 0 174.627 2.058 10 30 AEEERN CC#CCSc1nnc(C(C)C)[nH]1 306338853 572622371 /nfs/dbraw/zinc/62/23/71/572622371.db2.gz VAUKYWILLYERDZ-UHFFFAOYSA-N 0 0 195.291 2.044 10 30 AEEERN C=C([C@H](O)[C@H]1C[C@H]1C)C(F)(F)F 306356152 572622424 /nfs/dbraw/zinc/62/24/24/572622424.db2.gz WKMMJKFULTVHMF-PIYBLCFFSA-N 0 0 180.169 2.122 10 30 AEEERN COCSC[C@@H](CC=O)C(C)C 238361709 572622473 /nfs/dbraw/zinc/62/24/73/572622473.db2.gz KRWZFPKEMHLBOB-SECBINFHSA-N 0 0 190.308 2.185 10 30 AEEERN CC#C[C@](C)(O)c1cc(F)cc(F)c1 306361216 572622502 /nfs/dbraw/zinc/62/25/02/572622502.db2.gz OPMUVYAKOMGDOY-NSHDSACASA-N 0 0 196.196 2.196 10 30 AEEERN C=C[C@@H](C)SC(C)(C)CO 306328671 572622543 /nfs/dbraw/zinc/62/25/43/572622543.db2.gz LWBRHYNJYFSDCB-SSDOTTSWSA-N 0 0 160.282 2.065 10 30 AEEERN Cc1cccc2c(CC=O)c[nH]c12 74309686 572622643 /nfs/dbraw/zinc/62/26/43/572622643.db2.gz VUYZJJLLIVNJIR-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C=C[C@@](C)(CO)c1ccc(F)cc1 306342342 572622649 /nfs/dbraw/zinc/62/26/49/572622649.db2.gz ZUDHDMBDWFPTEE-NSHDSACASA-N 0 0 180.222 2.262 10 30 AEEERN C=C1[C@H](O)CC[C@]2(C)C(=O)CC[C@@]12C 306335543 572622695 /nfs/dbraw/zinc/62/26/95/572622695.db2.gz JPAQKAUILPUXDD-ADEWGFFLSA-N 0 0 194.274 2.073 10 30 AEEERN COc1cc(C)ccc1O[C@H](C)C#N 47874017 572622897 /nfs/dbraw/zinc/62/28/97/572622897.db2.gz RHXMNDNIIWANNO-SECBINFHSA-N 0 0 191.230 2.295 10 30 AEEERN COCSC[C@H](CC=O)C(C)C 238361768 572622947 /nfs/dbraw/zinc/62/29/47/572622947.db2.gz KRWZFPKEMHLBOB-VIFPVBQESA-N 0 0 190.308 2.185 10 30 AEEERN C=CCC(=O)c1cncc(Cl)c1 306377190 572623013 /nfs/dbraw/zinc/62/30/13/572623013.db2.gz NODOMCYJKKIGGL-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN CC(=O)c1cccc(O[C@@H](C)C#N)c1 47874006 572623036 /nfs/dbraw/zinc/62/30/36/572623036.db2.gz CXRCOMIEHAQJGY-QMMMGPOBSA-N 0 0 189.214 2.180 10 30 AEEERN CC[C@H](C)ON=Cc1ccncc1 255993041 572623110 /nfs/dbraw/zinc/62/31/10/572623110.db2.gz OSPAXZYGPSBZMB-VIFPVBQESA-N 0 0 178.235 2.231 10 30 AEEERN CC(=O)c1ccccc1O[C@@H](C)C#N 47915197 572623273 /nfs/dbraw/zinc/62/32/73/572623273.db2.gz FAPPXKALVPBLKI-QMMMGPOBSA-N 0 0 189.214 2.180 10 30 AEEERN C#CCN(CC(=C)Cl)CC1CC1 308077327 572623280 /nfs/dbraw/zinc/62/32/80/572623280.db2.gz DHTDKMAUNQYNTP-UHFFFAOYSA-N 0 0 183.682 2.084 10 30 AEEERN C[C@@H](C#N)N1CCCc2ccccc21 47915443 572623325 /nfs/dbraw/zinc/62/33/25/572623325.db2.gz VVDAYYKEPMKIAG-JTQLQIEISA-N 0 0 186.258 2.351 10 30 AEEERN C#CCCCSCCSC 306463517 572623379 /nfs/dbraw/zinc/62/33/79/572623379.db2.gz HHPKOFGLDSPUEO-UHFFFAOYSA-N 0 0 174.334 2.496 10 30 AEEERN C[C@@H]1CNc2ccc(C#N)cc2C1 74310050 572623410 /nfs/dbraw/zinc/62/34/10/572623410.db2.gz XGHGACJCBLPTCY-QMMMGPOBSA-N 0 0 172.231 2.162 10 30 AEEERN COc1cc(C)ccc1O[C@@H](C)C#N 47874016 572623605 /nfs/dbraw/zinc/62/36/05/572623605.db2.gz RHXMNDNIIWANNO-VIFPVBQESA-N 0 0 191.230 2.295 10 30 AEEERN CCCCC(CC)=NO 252459787 572623481 /nfs/dbraw/zinc/62/34/81/572623481.db2.gz VRCWWHOADHLWNC-UHFFFAOYSA-N 0 0 129.203 2.417 10 30 AEEERN CC(=O)c1ccccc1O[C@H](C)C#N 47915199 572623520 /nfs/dbraw/zinc/62/35/20/572623520.db2.gz FAPPXKALVPBLKI-MRVPVSSYSA-N 0 0 189.214 2.180 10 30 AEEERN CCC#CC/C=C/[C@@H]1[C@H]2C[C@H](O)C[C@H]21 307693741 572623522 /nfs/dbraw/zinc/62/35/22/572623522.db2.gz UVMYSLITTABNAD-SWZISMATSA-N 0 0 190.286 2.363 10 30 AEEERN C#CCC[C@@H](NN)[C@@H](CC)CC(C)C 308077088 572623600 /nfs/dbraw/zinc/62/36/00/572623600.db2.gz WWRQOFLIMHNROQ-NWDGAFQWSA-N 0 0 196.338 2.304 10 30 AEEERN N#Cc1c(C2CC2)[nH]c2cc[nH]c12 74310495 572623642 /nfs/dbraw/zinc/62/36/42/572623642.db2.gz SNHZVDABRQTMEJ-UHFFFAOYSA-N 0 0 171.203 2.245 10 30 AEEERN C=CCOC(=O)c1occc1Cl 308077989 572623744 /nfs/dbraw/zinc/62/37/44/572623744.db2.gz GRYMOHVZVLTQKH-UHFFFAOYSA-N 0 0 186.594 2.276 10 30 AEEERN CC#CCSCc1ncoc1C 307691515 572623778 /nfs/dbraw/zinc/62/37/78/572623778.db2.gz JABVLKNSOZBLID-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN C[C@H](C#N)c1cnc2cc[nH]cc1-2 74310498 572623811 /nfs/dbraw/zinc/62/38/11/572623811.db2.gz LUUYJJHEPWSLOR-SSDOTTSWSA-N 0 0 171.203 2.190 10 30 AEEERN CCCCCC=NNC1CC1 307850261 572623875 /nfs/dbraw/zinc/62/38/75/572623875.db2.gz AOCAZUOTCCVRBV-UHFFFAOYSA-N 0 0 154.257 2.305 10 30 AEEERN Cc1cc([C@@H](C=O)OC(C)C)sn1 404468124 572623897 /nfs/dbraw/zinc/62/38/97/572623897.db2.gz YOWFMYMAHMLCNE-MRVPVSSYSA-N 0 0 199.275 2.117 10 30 AEEERN C[C@@H](C#N)N(C)C1CCCCC1 47915463 572623973 /nfs/dbraw/zinc/62/39/73/572623973.db2.gz IWUYZQUFZKHFNQ-VIFPVBQESA-N 0 0 166.268 2.163 10 30 AEEERN C=CCC[C@H](O)[C@@]1(C)C[C@H]1C 307638438 572624042 /nfs/dbraw/zinc/62/40/42/572624042.db2.gz AJKVWVSIWOCCMF-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN N#CCCc1c[nH]c2cccnc12 74310507 572624074 /nfs/dbraw/zinc/62/40/74/572624074.db2.gz JAWIPTPYVGOBDW-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN CC#C[C@H](O)c1ccc(CC)cc1 307625176 572624109 /nfs/dbraw/zinc/62/41/09/572624109.db2.gz SFPZXCSHZSONDP-LBPRGKRZSA-N 0 0 174.243 2.306 10 30 AEEERN CCC(=O)/C=C\c1ccc(N)cc1 308078090 572624131 /nfs/dbraw/zinc/62/41/31/572624131.db2.gz BHQILEGKGUMFGK-YVMONPNESA-N 0 0 175.231 2.261 10 30 AEEERN C[C@H](C#N)Oc1cccc(F)c1 47873906 572624153 /nfs/dbraw/zinc/62/41/53/572624153.db2.gz OQJHSXQLKRDXFP-SSDOTTSWSA-N 0 0 165.167 2.117 10 30 AEEERN C#CCSC[C@H]1CCO[C@@H](C)C1 306454162 572624168 /nfs/dbraw/zinc/62/41/68/572624168.db2.gz ZCRIFIZQPFOIBH-UWVGGRQHSA-N 0 0 184.304 2.168 10 30 AEEERN C[C@H](C#N)N(C)C1CCCCC1 47915464 572624228 /nfs/dbraw/zinc/62/42/28/572624228.db2.gz IWUYZQUFZKHFNQ-SECBINFHSA-N 0 0 166.268 2.163 10 30 AEEERN CCc1ncc(C#N)cc1C1CC1 74310073 572624276 /nfs/dbraw/zinc/62/42/76/572624276.db2.gz JRMFMIDGLYJABY-UHFFFAOYSA-N 0 0 172.231 2.393 10 30 AEEERN Cc1nc2ccccc2n1[C@H](C)C#N 47873865 572624295 /nfs/dbraw/zinc/62/42/95/572624295.db2.gz NTUFUBGIJYPNGL-MRVPVSSYSA-N 0 0 185.230 2.429 10 30 AEEERN C=CCSc1ncnc(NC)c1C 306430674 572624345 /nfs/dbraw/zinc/62/43/45/572624345.db2.gz QKPLQHPMYYWMHL-UHFFFAOYSA-N 0 0 195.291 2.105 10 30 AEEERN C=C[C@]1(C)C(=O)C[C@H](C(=C)C)C[C@H]1O 306439868 572624389 /nfs/dbraw/zinc/62/43/89/572624389.db2.gz HMIQUWAHUGXTHJ-FOGDFJRCSA-N 0 0 194.274 2.095 10 30 AEEERN Cc1nc2ccccc2n1[C@@H](C)C#N 47873864 572624437 /nfs/dbraw/zinc/62/44/37/572624437.db2.gz NTUFUBGIJYPNGL-QMMMGPOBSA-N 0 0 185.230 2.429 10 30 AEEERN Cc1ccc(C#N)c2[nH]c(=O)ccc12 714113138 572624470 /nfs/dbraw/zinc/62/44/70/572624470.db2.gz NNYDAXVMEMZDFE-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C[C@H](C#N)Oc1ccccc1F 47915195 572624476 /nfs/dbraw/zinc/62/44/76/572624476.db2.gz NXAOCKUEMWYAMB-SSDOTTSWSA-N 0 0 165.167 2.117 10 30 AEEERN C=C(Cl)COC(=O)CCC(F)F 308077384 572624504 /nfs/dbraw/zinc/62/45/04/572624504.db2.gz DJFGKVTYIFAYOS-UHFFFAOYSA-N 0 0 198.596 2.327 10 30 AEEERN Cc1cccc2c1c(C#N)cn2C 74311033 572624541 /nfs/dbraw/zinc/62/45/41/572624541.db2.gz YCNLBXGZEYLSPS-UHFFFAOYSA-N 0 0 170.215 2.358 10 30 AEEERN C=C(C)C(=O)CCC(C)(C)OC 234578928 572624587 /nfs/dbraw/zinc/62/45/87/572624587.db2.gz VMHQSUATHQQJAT-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN C=C[C@]1(C)Cc2occ(C)c2C[C@H]1O 306441826 572624672 /nfs/dbraw/zinc/62/46/72/572624672.db2.gz OXLPIOWVJNCSJZ-VXGBXAGGSA-N 0 0 192.258 2.240 10 30 AEEERN CCCN[C@@H](C#N)[C@H](C)C(C)C 308077414 572624734 /nfs/dbraw/zinc/62/47/34/572624734.db2.gz GHPXPPSYJAIZFM-ZJUUUORDSA-N 0 0 168.284 2.170 10 30 AEEERN C[C@@H]1CC=CC[C@@H]1COC[C@@H]1CO1 308078091 572624748 /nfs/dbraw/zinc/62/47/48/572624748.db2.gz GYONNMNGLBDIAP-GMTAPVOTSA-N 0 0 182.263 2.004 10 30 AEEERN CCc1cc(C2CC2)ncc1C#N 74310074 572624840 /nfs/dbraw/zinc/62/48/40/572624840.db2.gz UAGKMULALHJWBH-UHFFFAOYSA-N 0 0 172.231 2.393 10 30 AEEERN C#CCC[C@H](NN)[C@@H](CC)CC(C)C 308077089 572624995 /nfs/dbraw/zinc/62/49/95/572624995.db2.gz WWRQOFLIMHNROQ-RYUDHWBXSA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@@H]1[C@@H]2CCCCC[C@@H](O)[C@H]21 307667261 572625032 /nfs/dbraw/zinc/62/50/32/572625032.db2.gz OJSKURHMUKAYGQ-YTWAJWBKSA-N 0 0 166.264 2.360 10 30 AEEERN CC(=O)c1cccc(O[C@H](C)C#N)c1 47874007 572625037 /nfs/dbraw/zinc/62/50/37/572625037.db2.gz CXRCOMIEHAQJGY-MRVPVSSYSA-N 0 0 189.214 2.180 10 30 AEEERN CCc1cc2ccc(C#N)cn2c1 74311031 572625078 /nfs/dbraw/zinc/62/50/78/572625078.db2.gz KZMFCMHOEIZYCH-UHFFFAOYSA-N 0 0 170.215 2.373 10 30 AEEERN CCC#CC[C@H]1C(=O)C=C[C@@H]1C 196850867 572625096 /nfs/dbraw/zinc/62/50/96/572625096.db2.gz OHZLXTDCOZEXEF-VHSXEESVSA-N 0 0 162.232 2.181 10 30 AEEERN CCC#CC[C@@H]1C(=O)C=C[C@@H]1C 196850875 572625155 /nfs/dbraw/zinc/62/51/55/572625155.db2.gz OHZLXTDCOZEXEF-UWVGGRQHSA-N 0 0 162.232 2.181 10 30 AEEERN O=CCC(F)(F)C(F)(F)Cl 196842413 572625262 /nfs/dbraw/zinc/62/52/62/572625262.db2.gz WXCUSEKTKJXMRQ-UHFFFAOYSA-N 0 0 178.512 2.042 10 30 AEEERN C=C[C@@H]1CNc2ccc(C)cc2O1 196850726 572625301 /nfs/dbraw/zinc/62/53/01/572625301.db2.gz ZUZJICQVPPVANZ-SECBINFHSA-N 0 0 175.231 2.354 10 30 AEEERN CC[C@@H]1CCCCN1[C@@H](C)C#N 47915459 572625458 /nfs/dbraw/zinc/62/54/58/572625458.db2.gz VMQQUNKNKGPCRE-VHSXEESVSA-N 0 0 166.268 2.163 10 30 AEEERN C=C[C@@H]1C(=O)CCC[C@@H]1C 196840943 572627421 /nfs/dbraw/zinc/62/74/21/572627421.db2.gz UBKVMWUIUJPGOY-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCSc1ccnc(C#N)c1 307674903 572625476 /nfs/dbraw/zinc/62/54/76/572625476.db2.gz FIASKOJTSSSUEA-UHFFFAOYSA-N 0 0 176.244 2.231 10 30 AEEERN C=C(C)C[C@@H](O)[C@@H]1C[C@H]1CC 307656960 572625486 /nfs/dbraw/zinc/62/54/86/572625486.db2.gz RIYWWSQHTSIZKZ-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@H](C#N)N1CCCc2ccccc21 47915445 572625524 /nfs/dbraw/zinc/62/55/24/572625524.db2.gz VVDAYYKEPMKIAG-SNVBAGLBSA-N 0 0 186.258 2.351 10 30 AEEERN CC#CCN(C)c1ccc(Cl)cn1 306436571 572625592 /nfs/dbraw/zinc/62/55/92/572625592.db2.gz LPFVCXCRPQJUAX-UHFFFAOYSA-N 0 0 194.665 2.195 10 30 AEEERN C[C@H]1CNc2ccc(C#N)cc2C1 74310048 572625608 /nfs/dbraw/zinc/62/56/08/572625608.db2.gz XGHGACJCBLPTCY-MRVPVSSYSA-N 0 0 172.231 2.162 10 30 AEEERN C=CCCC(=O)[C@@]1(C)C[C@@H]1F 307656291 572625642 /nfs/dbraw/zinc/62/56/42/572625642.db2.gz QCIGTYIEBFZIIE-CBAPKCEASA-N 0 0 156.200 2.270 10 30 AEEERN Cc1cc([C@H](C=O)OC(C)C)sn1 404468127 572625624 /nfs/dbraw/zinc/62/56/24/572625624.db2.gz YOWFMYMAHMLCNE-QMMMGPOBSA-N 0 0 199.275 2.117 10 30 AEEERN C=C1CCC[C@@](O)(CCCC)[C@H]1O 306400998 572625657 /nfs/dbraw/zinc/62/56/57/572625657.db2.gz PAAWFERJKCNHOU-QWRGUYRKSA-N 0 0 184.279 2.009 10 30 AEEERN C=C[C@@H](NC(C)=O)c1ccccc1 196849210 572625723 /nfs/dbraw/zinc/62/57/23/572625723.db2.gz LJBDUYWYZFJXAM-LLVKDONJSA-N 0 0 175.231 2.050 10 30 AEEERN C[C@@H]1CC=CC[C@H]1COC[C@@H]1CO1 308078098 572625832 /nfs/dbraw/zinc/62/58/32/572625832.db2.gz GYONNMNGLBDIAP-OUAUKWLOSA-N 0 0 182.263 2.004 10 30 AEEERN C#C[C@H](C)C[C@H](O)C(C)(C)C 306468311 572625853 /nfs/dbraw/zinc/62/58/53/572625853.db2.gz MAHZKGDZJNFXNM-IUCAKERBSA-N 0 0 154.253 2.053 10 30 AEEERN CC[C@H]1CCCCN1[C@@H](C)C#N 47915461 572625900 /nfs/dbraw/zinc/62/59/00/572625900.db2.gz VMQQUNKNKGPCRE-UWVGGRQHSA-N 0 0 166.268 2.163 10 30 AEEERN C[C@@H]1CC=CC[C@@H]1COC[C@H]1CO1 308078095 572625952 /nfs/dbraw/zinc/62/59/52/572625952.db2.gz GYONNMNGLBDIAP-MXWKQRLJSA-N 0 0 182.263 2.004 10 30 AEEERN C[C@@H]1CC=CC[C@H]1COC[C@H]1CO1 308078101 572625979 /nfs/dbraw/zinc/62/59/79/572625979.db2.gz GYONNMNGLBDIAP-VWYCJHECSA-N 0 0 182.263 2.004 10 30 AEEERN C[C@@H](C#N)Oc1ccccc1F 47915193 572626057 /nfs/dbraw/zinc/62/60/57/572626057.db2.gz NXAOCKUEMWYAMB-ZETCQYMHSA-N 0 0 165.167 2.117 10 30 AEEERN C=C(C)[C@@H]1CC[C@]2(CO)C[C@@H]2C1 196855027 572627447 /nfs/dbraw/zinc/62/74/47/572627447.db2.gz ZRVKOBFUZMAYBP-OUAUKWLOSA-N 0 0 166.264 2.361 10 30 AEEERN C#CCC[C@@H](NN)[C@H](CC)CC(C)C 308077090 572626197 /nfs/dbraw/zinc/62/61/97/572626197.db2.gz WWRQOFLIMHNROQ-VXGBXAGGSA-N 0 0 196.338 2.304 10 30 AEEERN C#CCC[C@H](NN)[C@H](CC)CC(C)C 308077087 572626213 /nfs/dbraw/zinc/62/62/13/572626213.db2.gz WWRQOFLIMHNROQ-NEPJUHHUSA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@H]1C(=O)CCC[C@H]1C 196840905 572626247 /nfs/dbraw/zinc/62/62/47/572626247.db2.gz UBKVMWUIUJPGOY-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H](O)CSC1CCCC1 307656123 572626253 /nfs/dbraw/zinc/62/62/53/572626253.db2.gz PQZGFMVIHAESES-MRVPVSSYSA-N 0 0 172.293 2.209 10 30 AEEERN C=C[C@H]1CNc2ccc(C)cc2O1 196850734 572626321 /nfs/dbraw/zinc/62/63/21/572626321.db2.gz ZUZJICQVPPVANZ-VIFPVBQESA-N 0 0 175.231 2.354 10 30 AEEERN C[C@H]1O[C@]1(C)C(=O)c1ccccc1 196847305 572626326 /nfs/dbraw/zinc/62/63/26/572626326.db2.gz WAKNFSHYJJBBMP-KCJUWKMLSA-N 0 0 176.215 2.047 10 30 AEEERN C=C(C)[C@@]12CCC[C@@H]1CC2=O 196844933 572626453 /nfs/dbraw/zinc/62/64/53/572626453.db2.gz XEQBTGJVBJNSNM-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCCCN(C)C(=NC#N)SC 308078031 572626516 /nfs/dbraw/zinc/62/65/16/572626516.db2.gz AFBGLOUMHAJBAU-UHFFFAOYSA-N 0 0 197.307 2.084 10 30 AEEERN CC(=O)/C=N/[C@H](C)c1ccccc1 196857984 572626535 /nfs/dbraw/zinc/62/65/35/572626535.db2.gz XGJNJSGPWKIWPX-ZDIKFAODSA-N 0 0 175.231 2.407 10 30 AEEERN C=C(C)[C@]12CCC[C@@H]1CC2=O 196844943 572627493 /nfs/dbraw/zinc/62/74/93/572627493.db2.gz XEQBTGJVBJNSNM-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C=O)cc1F 235267824 572626794 /nfs/dbraw/zinc/62/67/94/572626794.db2.gz ILJHUXVTYQCYMG-MRVPVSSYSA-N 0 0 192.189 2.039 10 30 AEEERN Cc1ccc(/C=N/[C@@H](C)CCO)cc1 238365990 572626812 /nfs/dbraw/zinc/62/68/12/572626812.db2.gz PDWISHSBSFNVON-GJSJWPQCSA-N 0 0 191.274 2.185 10 30 AEEERN C=C1[C@H](O)[C@H](C)C[C@H]2[C@@H]1C2(C)C 306456921 572626829 /nfs/dbraw/zinc/62/68/29/572626829.db2.gz XDBANEONCZXWIQ-XCWAXFADSA-N 0 0 166.264 2.216 10 30 AEEERN CCC#CC[C@H]1C(=O)C=C[C@H]1C 196850849 572626911 /nfs/dbraw/zinc/62/69/11/572626911.db2.gz OHZLXTDCOZEXEF-NXEZZACHSA-N 0 0 162.232 2.181 10 30 AEEERN C=C(C)[C@@]12CCC[C@H]1CC2=O 196844954 572626994 /nfs/dbraw/zinc/62/69/94/572626994.db2.gz XEQBTGJVBJNSNM-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN O=C1C(C2CC2)=CCC12CC2 196846606 572627094 /nfs/dbraw/zinc/62/70/94/572627094.db2.gz LYRPISYGBPLNST-UHFFFAOYSA-N 0 0 148.205 2.076 10 30 AEEERN C=C(C)[C@H]1CCCC[C@@H]1CO 306462301 572627101 /nfs/dbraw/zinc/62/71/01/572627101.db2.gz KECKHXYKHPQHQN-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN CCC#CC[C@@H]1C(=O)C=C[C@H]1C 196850860 572627130 /nfs/dbraw/zinc/62/71/30/572627130.db2.gz OHZLXTDCOZEXEF-ZJUUUORDSA-N 0 0 162.232 2.181 10 30 AEEERN C=C(C)C(=O)C=CC(C)C 196843207 572627227 /nfs/dbraw/zinc/62/72/27/572627227.db2.gz LKJZUSHUIDUYLL-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C)[C@H]1CC[C@]2(CO)C[C@@H]2C1 196855036 572627231 /nfs/dbraw/zinc/62/72/31/572627231.db2.gz ZRVKOBFUZMAYBP-GARJFASQSA-N 0 0 166.264 2.361 10 30 AEEERN Cc1cc(C#CCO)c(C)cc1Cl 70023746 572627259 /nfs/dbraw/zinc/62/72/59/572627259.db2.gz CYVCELBVVBXVIM-UHFFFAOYSA-N 0 0 194.661 2.301 10 30 AEEERN C[C@H](C#N)N1CCCCCCC1 47916407 572627537 /nfs/dbraw/zinc/62/75/37/572627537.db2.gz MLMJRVWFDYLEML-SNVBAGLBSA-N 0 0 166.268 2.165 10 30 AEEERN C#CC[C@@H](O)[C@@H](C)C(C)(C)C 306435777 572627607 /nfs/dbraw/zinc/62/76/07/572627607.db2.gz BOTYYBYJVHBSSV-RKDXNWHRSA-N 0 0 154.253 2.053 10 30 AEEERN C=C[C@@H]1C(=O)CCC[C@H]1C 196840934 572627631 /nfs/dbraw/zinc/62/76/31/572627631.db2.gz UBKVMWUIUJPGOY-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H](O)[C@H]1CC2CCC1CC2 306469475 572627636 /nfs/dbraw/zinc/62/76/36/572627636.db2.gz ONOVDCHLVCTQSZ-TVUZUIDESA-N 0 0 166.264 2.360 10 30 AEEERN C=C[C@@H](C)c1noc([C@H]2C[C@@H]2C)n1 307526587 572627648 /nfs/dbraw/zinc/62/76/48/572627648.db2.gz RNVRZPZTOYYAIV-CSMHCCOUSA-N 0 0 178.235 2.483 10 30 AEEERN C#CCC[C@@H]1CCCC[C@]1(C#C)CO 307626308 572628284 /nfs/dbraw/zinc/62/82/84/572628284.db2.gz UJTNIFIRLFZBAM-CHWSQXEVSA-N 0 0 190.286 2.202 10 30 AEEERN C[C@H]1O[C@@]1(C)C(=O)c1ccccc1 196847316 572627810 /nfs/dbraw/zinc/62/78/10/572627810.db2.gz WAKNFSHYJJBBMP-LDYMZIIASA-N 0 0 176.215 2.047 10 30 AEEERN COCC#CCSC(C)(C)C 306462428 572627877 /nfs/dbraw/zinc/62/78/77/572627877.db2.gz KGXLLNJKDWBORY-UHFFFAOYSA-N 0 0 172.293 2.168 10 30 AEEERN C=C(C)[C@H](C(C)=O)C1CC1 196841290 572628339 /nfs/dbraw/zinc/62/83/39/572628339.db2.gz KOUAGWMIJXUFMM-SECBINFHSA-N 0 0 138.210 2.178 10 30 AEEERN O=C1CC2(C=C1C1CC1)CC2 196846542 572628046 /nfs/dbraw/zinc/62/80/46/572628046.db2.gz OAXBASIOERCUBO-UHFFFAOYSA-N 0 0 148.205 2.076 10 30 AEEERN C#C[C@H](C)[C@@H](O)c1ccccc1C 306436544 572628066 /nfs/dbraw/zinc/62/80/66/572628066.db2.gz GLNVJAYVMWCPSA-JOYOIKCWSA-N 0 0 174.243 2.298 10 30 AEEERN CCC#CCC(C)(C)C(=O)OCC 115701199 572628096 /nfs/dbraw/zinc/62/80/96/572628096.db2.gz IXTATWGWXFBLHB-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CC[C@H](C)C1 307597546 572628122 /nfs/dbraw/zinc/62/81/22/572628122.db2.gz NSCXZCYYEPMJDM-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@]12CCC[C@H]1CC2=O 196844965 572628242 /nfs/dbraw/zinc/62/82/42/572628242.db2.gz XEQBTGJVBJNSNM-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@@]1(C)Cc2occ(C)c2C[C@@H]1O 306441825 572628326 /nfs/dbraw/zinc/62/83/26/572628326.db2.gz OXLPIOWVJNCSJZ-RYUDHWBXSA-N 0 0 192.258 2.240 10 30 AEEERN CC(=O)C[C@H](C)[C@@H](C)[C@@H](C)C=O 115693382 572628546 /nfs/dbraw/zinc/62/85/46/572628546.db2.gz GGTJQZGLYTUGDR-OYNCUSHFSA-N 0 0 170.252 2.073 10 30 AEEERN C=CCN[C@@]1(C#N)CC(C)(C)C[C@H]1C 235268563 572628639 /nfs/dbraw/zinc/62/86/39/572628639.db2.gz YJXMAFFBNZJDLV-ZYHUDNBSSA-N 0 0 192.306 2.480 10 30 AEEERN C=CCC1(CO)CCSCC1 306496533 572628652 /nfs/dbraw/zinc/62/86/52/572628652.db2.gz DUBGWCDHEQJBKZ-UHFFFAOYSA-N 0 0 172.293 2.068 10 30 AEEERN C=C1CC[C@H]2[C@@H]1CCC[C@H]2CO 306451177 572628853 /nfs/dbraw/zinc/62/88/53/572628853.db2.gz LIGLYLZFAOZKCM-HBNTYKKESA-N 0 0 166.264 2.361 10 30 AEEERN C/C=C/[C@H](C)[C@H](O)C#C[Si](C)(C)C 306488501 572629047 /nfs/dbraw/zinc/62/90/47/572629047.db2.gz VGIHDEVKDNRKPO-FQLSZKSXSA-N 0 0 196.366 2.440 10 30 AEEERN CC(=O)C[C@H](C)[C@H](C)[C@@H](C)C=O 115693387 572628966 /nfs/dbraw/zinc/62/89/66/572628966.db2.gz GGTJQZGLYTUGDR-NRPADANISA-N 0 0 170.252 2.073 10 30 AEEERN CCCCCCN[C@@H](C)C#N 70019804 572629155 /nfs/dbraw/zinc/62/91/55/572629155.db2.gz ZTTWBBTXXSPAKG-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN CC#C[C@]1(O)CCc2ccc(C)cc21 306405304 572629176 /nfs/dbraw/zinc/62/91/76/572629176.db2.gz BXTNQXBUOOWFDD-ZDUSSCGKSA-N 0 0 186.254 2.152 10 30 AEEERN C=CCN(CCF)CC(F)(F)F 308078722 572629203 /nfs/dbraw/zinc/62/92/03/572629203.db2.gz HIJSRUITXPZRIV-UHFFFAOYSA-N 0 0 185.164 2.006 10 30 AEEERN C=C[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 307531307 572629208 /nfs/dbraw/zinc/62/92/08/572629208.db2.gz WYHOGWONXGSIHS-KXUCPTDWSA-N 0 0 171.259 2.241 10 30 AEEERN COC[C@@H](CC=O)c1ccccc1 238372138 572629212 /nfs/dbraw/zinc/62/92/12/572629212.db2.gz QVBSRAQACSZTRP-LLVKDONJSA-N 0 0 178.231 2.006 10 30 AEEERN C=CC[C@]12CC[C@H](CC[C@@H](O)CC1)O2 306461547 572629358 /nfs/dbraw/zinc/62/93/58/572629358.db2.gz DONNBDWJNYGRSZ-GRYCIOLGSA-N 0 0 196.290 2.415 10 30 AEEERN C=C(F)C[C@@H](O)c1ccco1 306429728 572629373 /nfs/dbraw/zinc/62/93/73/572629373.db2.gz FHYXOSFHGLACJB-SSDOTTSWSA-N 0 0 156.156 2.186 10 30 AEEERN C/C=C/[C@H](C)[C@@H](O)C#C[Si](C)(C)C 306488503 572629457 /nfs/dbraw/zinc/62/94/57/572629457.db2.gz VGIHDEVKDNRKPO-JYLGIWJRSA-N 0 0 196.366 2.440 10 30 AEEERN COc1cccc(C[C@@H](C)C=O)c1C 238372254 572629463 /nfs/dbraw/zinc/62/94/63/572629463.db2.gz QKYQSRZCCRLZCU-SECBINFHSA-N 0 0 192.258 2.381 10 30 AEEERN CO[C@@H](C)CC(=O)C(C)=C(C)C 238366492 572629555 /nfs/dbraw/zinc/62/95/55/572629555.db2.gz DODNUQNTINORAX-QMMMGPOBSA-N 0 0 170.252 2.337 10 30 AEEERN C[C@@H](C#N)N1CCCCCCC1 47916405 572629617 /nfs/dbraw/zinc/62/96/17/572629617.db2.gz MLMJRVWFDYLEML-JTQLQIEISA-N 0 0 166.268 2.165 10 30 AEEERN C=C1C[C@@H]2CCC[C@@H](O)[C@H]2C1 307649300 572629741 /nfs/dbraw/zinc/62/97/41/572629741.db2.gz PPLGREKTZFJGCV-LPEHRKFASA-N 0 0 152.237 2.114 10 30 AEEERN C=C1CC[C@@H](O)[C@H](C(=C)C)C1 306431773 572629750 /nfs/dbraw/zinc/62/97/50/572629750.db2.gz UWWLNIXHJSJJFR-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](C)[C@](C)(C=O)CCC(C)=O 238372175 572629897 /nfs/dbraw/zinc/62/98/97/572629897.db2.gz JJRGPIBNIVQTSX-ONGXEEELSA-N 0 0 182.263 2.383 10 30 AEEERN C#CCC[C@@H](O)c1cc(C)cc(N)c1 307648962 572629955 /nfs/dbraw/zinc/62/99/55/572629955.db2.gz HMHNVFXFOZEXOG-GFCCVEGCSA-N 0 0 189.258 2.024 10 30 AEEERN C=CCC(O)(CC=C)C[C@@H](C)CCO 238366601 572630193 /nfs/dbraw/zinc/63/01/93/572630193.db2.gz GMVBLJWRLOZXOR-NSHDSACASA-N 0 0 198.306 2.278 10 30 AEEERN C=CCC[C@H](O)[C@]1(C)C[C@H]1C 307638436 572630197 /nfs/dbraw/zinc/63/01/97/572630197.db2.gz AJKVWVSIWOCCMF-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@H](CCO)CC[C@]1(C)OC1(C)C 238367372 572630393 /nfs/dbraw/zinc/63/03/93/572630393.db2.gz MPCQJKFZSXXNBG-KOLCDFICSA-N 0 0 186.295 2.353 10 30 AEEERN CC#C[C@@H](O)c1ccc(Cl)s1 307621087 572630451 /nfs/dbraw/zinc/63/04/51/572630451.db2.gz JLUORKLFNYTVOX-ZCFIWIBFSA-N 0 0 186.663 2.458 10 30 AEEERN C=C(C)[C@@H]1C=C[C@H](O)[C@H](C)C1 306431734 572630464 /nfs/dbraw/zinc/63/04/64/572630464.db2.gz UBTIZKNMXAJQJG-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@@H](C)Sc1ncccn1 306471461 572630487 /nfs/dbraw/zinc/63/04/87/572630487.db2.gz RSTLMDKVRRJVEG-SSDOTTSWSA-N 0 0 166.249 2.143 10 30 AEEERN C=CC[C@@]1(C)C=CC=C[C@H]1O 306421407 572630598 /nfs/dbraw/zinc/63/05/98/572630598.db2.gz HBHFYYJURWQOMP-ZJUUUORDSA-N 0 0 150.221 2.056 10 30 AEEERN COc1ccc2oc(CC=O)cc2c1 115753195 572630602 /nfs/dbraw/zinc/63/06/02/572630602.db2.gz KNRHZMFBOQXNJE-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN C[C@@H](CCO)CC[C@@]1(C)OC1(C)C 238367310 572630647 /nfs/dbraw/zinc/63/06/47/572630647.db2.gz MPCQJKFZSXXNBG-MWLCHTKSSA-N 0 0 186.295 2.353 10 30 AEEERN N#CCc1c[nH]c(C2CCCC2)n1 74308576 572630696 /nfs/dbraw/zinc/63/06/96/572630696.db2.gz TYKJQTKLCLIKTD-UHFFFAOYSA-N 0 0 175.235 2.133 10 30 AEEERN N#Cc1csnc1-c1ccco1 74308139 572630712 /nfs/dbraw/zinc/63/07/12/572630712.db2.gz CBGHJTDIYPEMBK-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN C=CCc1c(CC#N)cccc1OC 238367033 572630747 /nfs/dbraw/zinc/63/07/47/572630747.db2.gz YISGDRBZLIMYJH-UHFFFAOYSA-N 0 0 187.242 2.490 10 30 AEEERN COC[C@@H](CCC=O)c1ccccc1 238372179 572630783 /nfs/dbraw/zinc/63/07/83/572630783.db2.gz WCAGSUULSHCDEA-GFCCVEGCSA-N 0 0 192.258 2.396 10 30 AEEERN C#C[C@@H](C)OC(=O)c1sccc1C 306445049 572631013 /nfs/dbraw/zinc/63/10/13/572631013.db2.gz SDINRRJGUCCHOV-MRVPVSSYSA-N 0 0 194.255 2.235 10 30 AEEERN CO[C@@H](C)CC(=O)C1=CCCC1 238366509 572631184 /nfs/dbraw/zinc/63/11/84/572631184.db2.gz QLDMYITYKXGVFC-QMMMGPOBSA-N 0 0 168.236 2.091 10 30 AEEERN C=C1[C@H]([C@H](C)O)[C@]1(C)C(C)C 306443181 572631210 /nfs/dbraw/zinc/63/12/10/572631210.db2.gz MDNVLWWZPUMHCS-IVZWLZJFSA-N 0 0 154.253 2.216 10 30 AEEERN CCc1oc2c(C)onc2c1C#N 74308307 572631249 /nfs/dbraw/zinc/63/12/49/572631249.db2.gz ZTFOKXJCBOZOMO-UHFFFAOYSA-N 0 0 176.175 2.163 10 30 AEEERN CC#C[C@@H](O)C(C(C)C)C(C)C 306451238 572631348 /nfs/dbraw/zinc/63/13/48/572631348.db2.gz BXLBHAGPOFTPCK-SNVBAGLBSA-N 0 0 168.280 2.299 10 30 AEEERN CC(C)c1ncc(C#N)n1C1CC1 74308561 572631367 /nfs/dbraw/zinc/63/13/67/572631367.db2.gz VSULEBGLXAOKAR-UHFFFAOYSA-N 0 0 175.235 2.213 10 30 AEEERN CCc1ccc(O[C@H](C)C#N)c(N)c1 70063321 572631399 /nfs/dbraw/zinc/63/13/99/572631399.db2.gz YRBHBJGZBXNYHR-MRVPVSSYSA-N 0 0 190.246 2.122 10 30 AEEERN C=C1C[C@H](O)C[C@@H]1c1ccccc1 306444357 572631411 /nfs/dbraw/zinc/63/14/11/572631411.db2.gz RFZBSLHDNZZDJN-RYUDHWBXSA-N 0 0 174.243 2.481 10 30 AEEERN CCc1oc2c(C)noc2c1C#N 74308308 572631452 /nfs/dbraw/zinc/63/14/52/572631452.db2.gz ONGQHQRMCOIAQS-UHFFFAOYSA-N 0 0 176.175 2.163 10 30 AEEERN C=C1CC[C@H](O)[C@@H](C(=C)C)C1 306431774 572631493 /nfs/dbraw/zinc/63/14/93/572631493.db2.gz UWWLNIXHJSJJFR-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@H](C#N)CC[C@@H](O)C(C)(C)C 238372468 572631545 /nfs/dbraw/zinc/63/15/45/572631545.db2.gz MCOLBPRSMKSTSW-DTWKUNHWSA-N 0 0 169.268 2.333 10 30 AEEERN C=CC[C@H](CC[C@H](C)C=O)OC(C)=O 238372190 572631557 /nfs/dbraw/zinc/63/15/57/572631557.db2.gz ZIIVBXPJTCQOLE-GXSJLCMTSA-N 0 0 198.262 2.109 10 30 AEEERN C=C[C@H](CC)[C@@H](C)[C@@H](C)O 306419907 572631623 /nfs/dbraw/zinc/63/16/23/572631623.db2.gz YBIHQIBBWHUNKV-DJLDLDEBSA-N 0 0 142.242 2.216 10 30 AEEERN C=CCSC[C@@](C)(O)CC 306451787 572631792 /nfs/dbraw/zinc/63/17/92/572631792.db2.gz MABBHRVIYBHPDW-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN CCc1ccc(O[C@@H](C)C#N)c(N)c1 70063320 572632288 /nfs/dbraw/zinc/63/22/88/572632288.db2.gz YRBHBJGZBXNYHR-QMMMGPOBSA-N 0 0 190.246 2.122 10 30 AEEERN CCCn1c(C#N)cnc1C1CC1 74308546 572632302 /nfs/dbraw/zinc/63/23/02/572632302.db2.gz FMGAIYWKXSQPOI-UHFFFAOYSA-N 0 0 175.235 2.042 10 30 AEEERN C[C@@H](/C=C/C[C@@H](C)CO)CCC=O 238368958 572632342 /nfs/dbraw/zinc/63/23/42/572632342.db2.gz LAXVLSGTNVOCOP-FWCMMDKOSA-N 0 0 184.279 2.176 10 30 AEEERN COc1ccc2cc(CC=O)oc2c1 115753150 572632533 /nfs/dbraw/zinc/63/25/33/572632533.db2.gz JZLICKVNBLVNHC-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN CC(C)CCC#C[C@H](C)[C@H](C)O 306447623 572632577 /nfs/dbraw/zinc/63/25/77/572632577.db2.gz FPSVLTYQIRXJCM-QWRGUYRKSA-N 0 0 168.280 2.443 10 30 AEEERN COc1cccc2cc(CC=O)oc12 115753147 572632941 /nfs/dbraw/zinc/63/29/41/572632941.db2.gz SOVABCKJQJLRAN-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN C=C(C)CC(=O)N1CCC(C)(C)C1 306412439 572632638 /nfs/dbraw/zinc/63/26/38/572632638.db2.gz MGLBOWGYEQIHLD-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCC(=O)CCCCF 307679464 572632713 /nfs/dbraw/zinc/63/27/13/572632713.db2.gz MLLBZCKQGFRCNI-UHFFFAOYSA-N 0 0 144.189 2.271 10 30 AEEERN CSCO[C@@H](C(C)C)[C@@H](C)C=O 238369080 572632745 /nfs/dbraw/zinc/63/27/45/572632745.db2.gz APZGFXKDQLNWEP-IUCAKERBSA-N 0 0 190.308 2.183 10 30 AEEERN C=C(C)[C@@]1(F)CC[C@]1(C)CCO 306410815 572632788 /nfs/dbraw/zinc/63/27/88/572632788.db2.gz JOCISYIRPXGSCB-ZJUUUORDSA-N 0 0 172.243 2.453 10 30 AEEERN C#C[C@H](C)[C@@H](O)[C@H](C)c1ccccc1 307657472 572632800 /nfs/dbraw/zinc/63/28/00/572632800.db2.gz AEMNKHIZPOHSCL-DMDPSCGWSA-N 0 0 188.270 2.420 10 30 AEEERN C=C(C)[C@@H]1C=C[C@@H](O)[C@H](C)C1 306431736 572632875 /nfs/dbraw/zinc/63/28/75/572632875.db2.gz UBTIZKNMXAJQJG-OPRDCNLKSA-N 0 0 152.237 2.136 10 30 AEEERN CO[C@@H](C1CCCCC1)[C@H](C)C=O 238372728 572632888 /nfs/dbraw/zinc/63/28/88/572632888.db2.gz YXEVZWMNRNYHMK-MWLCHTKSSA-N 0 0 184.279 2.417 10 30 AEEERN C=C/C=C(\C)[C@H](O)CC[C@H](C)C=O 238372645 572633000 /nfs/dbraw/zinc/63/30/00/572633000.db2.gz BROOTNIPJCAKQS-CVPURCMJSA-N 0 0 182.263 2.095 10 30 AEEERN C=C1C[C@@H](O)C[C@H]1c1ccccc1 306444366 572633161 /nfs/dbraw/zinc/63/31/61/572633161.db2.gz RFZBSLHDNZZDJN-VXGBXAGGSA-N 0 0 174.243 2.481 10 30 AEEERN C#CC(=O)[C@]1(C)[C@@H](C)CC[C@H]1C 306426950 572633123 /nfs/dbraw/zinc/63/31/23/572633123.db2.gz IKFHVXCJXIZDPT-JZYVYDRUSA-N 0 0 164.248 2.261 10 30 AEEERN CC(C)CCC#C[C@@H](C)[C@@H](C)O 306447619 572633167 /nfs/dbraw/zinc/63/31/67/572633167.db2.gz FPSVLTYQIRXJCM-GHMZBOCLSA-N 0 0 168.280 2.443 10 30 AEEERN C=CC(=O)CCCC(F)(F)F 236119310 572637079 /nfs/dbraw/zinc/63/70/79/572637079.db2.gz IITNTUNBKZPKLK-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN CC#C[C@]1(O)CCC[C@@H](C2CC2)C1 307609212 572633275 /nfs/dbraw/zinc/63/32/75/572633275.db2.gz DROVSRNWNVKARP-NEPJUHHUSA-N 0 0 178.275 2.341 10 30 AEEERN C=C1CC[C@@H]2[C@@H](CO)CCC[C@H]12 306451171 572633287 /nfs/dbraw/zinc/63/32/87/572633287.db2.gz LIGLYLZFAOZKCM-GMTAPVOTSA-N 0 0 166.264 2.361 10 30 AEEERN C#CCC[C@@](C)(O)[C@H]1CC1(C)C 307655866 572633324 /nfs/dbraw/zinc/63/33/24/572633324.db2.gz XVNVGBKBZXCIOT-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN C=CCc1cccc(OC)c1CC#N 238367863 572633454 /nfs/dbraw/zinc/63/34/54/572633454.db2.gz ZBPIDWLWTPSSDV-UHFFFAOYSA-N 0 0 187.242 2.490 10 30 AEEERN C=C(C)[C@H](O)CC[C@H](C)CC(C)=O 238372565 572633536 /nfs/dbraw/zinc/63/35/36/572633536.db2.gz XRMSGXJAPQDHHQ-GXSJLCMTSA-N 0 0 184.279 2.319 10 30 AEEERN CC(C)c1nc2o[nH]cc-2c1C#N 74308812 572633631 /nfs/dbraw/zinc/63/36/31/572633631.db2.gz MDAHRMHNNOOODE-UHFFFAOYSA-N 0 0 175.191 2.151 10 30 AEEERN CC(C)c1oc2n[nH]cc2c1C#N 74308820 572633652 /nfs/dbraw/zinc/63/36/52/572633652.db2.gz CDNICBKFGZGKPC-UHFFFAOYSA-N 0 0 175.191 2.151 10 30 AEEERN C=C[C@@H](C)N[C@@H](C)C(C)(F)F 307661917 572633654 /nfs/dbraw/zinc/63/36/54/572633654.db2.gz VNUOFKBMCKQMND-RQJHMYQMSA-N 0 0 163.211 2.194 10 30 AEEERN CSCO[C@H](C(C)C)[C@@H](C)C=O 238369289 572633692 /nfs/dbraw/zinc/63/36/92/572633692.db2.gz APZGFXKDQLNWEP-DTWKUNHWSA-N 0 0 190.308 2.183 10 30 AEEERN C#C[C@@H](C)Nc1ccc(C)cc1C#N 235273549 572633722 /nfs/dbraw/zinc/63/37/22/572633722.db2.gz QSZWSKQDGGSIIP-SNVBAGLBSA-N 0 0 184.242 2.300 10 30 AEEERN CC#C[C@@]1(O)CCC[C@@H](C2CC2)C1 307609216 572633736 /nfs/dbraw/zinc/63/37/36/572633736.db2.gz DROVSRNWNVKARP-VXGBXAGGSA-N 0 0 178.275 2.341 10 30 AEEERN C=CC[C@H]1[C@H](O)C[C@@H]2[C@@H](C)C=C[C@@H]21 307608284 572633817 /nfs/dbraw/zinc/63/38/17/572633817.db2.gz GHVIBPMKYIFOBE-VSSNEEPJSA-N 0 0 178.275 2.382 10 30 AEEERN C#C[C@@H](O)C1(c2ccccc2)CCC1 306418206 572633861 /nfs/dbraw/zinc/63/38/61/572633861.db2.gz UVMVHOBZEDKQBS-GFCCVEGCSA-N 0 0 186.254 2.102 10 30 AEEERN CC(C)c1[nH]c2ocnc2c1C#N 74308821 572633896 /nfs/dbraw/zinc/63/38/96/572633896.db2.gz LZCAZDBQTAHBQN-UHFFFAOYSA-N 0 0 175.191 2.151 10 30 AEEERN C=C1CC[C@H](O)C(C)(C)C1=C 306430581 572633875 /nfs/dbraw/zinc/63/38/75/572633875.db2.gz YYSASXCIQMQQBO-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN C#C[C@@H](O)C(CC)(CC)CC 307654523 572633985 /nfs/dbraw/zinc/63/39/85/572633985.db2.gz MRAKWRYWGFENDQ-SECBINFHSA-N 0 0 154.253 2.197 10 30 AEEERN CSCO[C@H](C(C)C)[C@H](C)C=O 238369302 572634008 /nfs/dbraw/zinc/63/40/08/572634008.db2.gz APZGFXKDQLNWEP-RKDXNWHRSA-N 0 0 190.308 2.183 10 30 AEEERN Cc1cc(C)nc(S[C@H](C)C#N)n1 48101789 572634100 /nfs/dbraw/zinc/63/41/00/572634100.db2.gz NVDKQVDBUCYPAD-MRVPVSSYSA-N 0 0 193.275 2.098 10 30 AEEERN C=C[C@H](O)c1cccc(F)c1C 307681863 572634271 /nfs/dbraw/zinc/63/42/71/572634271.db2.gz ZAPMLSHNBDFUCB-JTQLQIEISA-N 0 0 166.195 2.354 10 30 AEEERN CC#C[C@H](O)c1ccccc1CC 307611192 572634340 /nfs/dbraw/zinc/63/43/40/572634340.db2.gz GBOJWSVOAGPAMP-LBPRGKRZSA-N 0 0 174.243 2.306 10 30 AEEERN C=CCc1c(N)cc(OC)cc1OC 238372550 572634348 /nfs/dbraw/zinc/63/43/48/572634348.db2.gz NTBYLHZSMVXXNW-UHFFFAOYSA-N 0 0 193.246 2.015 10 30 AEEERN C=CCS[C@@H]1CCC[C@]1(C)O 306435192 572634389 /nfs/dbraw/zinc/63/43/89/572634389.db2.gz BBDTZGHCBMDCAV-BDAKNGLRSA-N 0 0 172.293 2.209 10 30 AEEERN C#C[C@@H](O)C1=CC[C@H](C(=C)C)CC1 306484790 572634423 /nfs/dbraw/zinc/63/44/23/572634423.db2.gz QLYZLGXMLWILJT-CMPLNLGQSA-N 0 0 176.259 2.283 10 30 AEEERN C=C[C@](C)(CO)c1ccccc1OC 238369629 572634450 /nfs/dbraw/zinc/63/44/50/572634450.db2.gz NTQOZTHXHARZRP-GFCCVEGCSA-N 0 0 192.258 2.131 10 30 AEEERN CO[C@@H](C1CCCCC1)[C@@H](C)C=O 238372717 572634606 /nfs/dbraw/zinc/63/46/06/572634606.db2.gz YXEVZWMNRNYHMK-GXSJLCMTSA-N 0 0 184.279 2.417 10 30 AEEERN C[C@H](/C=C/C[C@@H](C)CO)CCC=O 238368941 572634609 /nfs/dbraw/zinc/63/46/09/572634609.db2.gz LAXVLSGTNVOCOP-UQRCUPDISA-N 0 0 184.279 2.176 10 30 AEEERN CC1(C)CCc2c(C#N)cncc2C1 115899304 572634620 /nfs/dbraw/zinc/63/46/20/572634620.db2.gz ABVKSLPSEKFCQU-UHFFFAOYSA-N 0 0 186.258 2.468 10 30 AEEERN C=C[C@H](C#CC)[C@@H](O)C(C)(C)C 306442218 572634644 /nfs/dbraw/zinc/63/46/44/572634644.db2.gz KFHDRRMRQUBMRK-NXEZZACHSA-N 0 0 166.264 2.219 10 30 AEEERN C=CC[C@H](O)CC1=CCCC1 307699376 572634734 /nfs/dbraw/zinc/63/47/34/572634734.db2.gz KCVIFVJGPHOYKD-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN C=CCc1cccc(OC)c1C=O 238367822 572634748 /nfs/dbraw/zinc/63/47/48/572634748.db2.gz SMDGXWUPTWKAAX-UHFFFAOYSA-N 0 0 176.215 2.236 10 30 AEEERN C=C(C)[C@H](NN)[C@H]1CC2CCC1CC2 306420602 572634839 /nfs/dbraw/zinc/63/48/39/572634839.db2.gz GGDOQKCWTPSVDO-QQFIATSDSA-N 0 0 194.322 2.221 10 30 AEEERN C[C@@H](C#N)NC[C@@H]1CCC[C@@H](C)C1 235272888 572635577 /nfs/dbraw/zinc/63/55/77/572635577.db2.gz DRJLZSNRYIVJCM-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN C=C[C@]12C=C(OC)[C@H](CC1)C[C@H]2CO 307699026 572635679 /nfs/dbraw/zinc/63/56/79/572635679.db2.gz NVRADKJHTABJPY-JFGNBEQYSA-N 0 0 194.274 2.111 10 30 AEEERN C=CC(C)(C)[C@H](C)C(=C)CO 307657152 572635774 /nfs/dbraw/zinc/63/57/74/572635774.db2.gz RRUXQIKKKGTERN-SECBINFHSA-N 0 0 154.253 2.383 10 30 AEEERN C=C[C@@H]1[C@@H]2CCCCC[C@@H](O)[C@@H]21 307667258 572635843 /nfs/dbraw/zinc/63/58/43/572635843.db2.gz OJSKURHMUKAYGQ-LMLFDSFASA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)C[C@@]1(C)C(=O)CCC[C@@H]1O 306490878 572635966 /nfs/dbraw/zinc/63/59/66/572635966.db2.gz ZNDQLUNDUYIYFW-GXSJLCMTSA-N 0 0 182.263 2.073 10 30 AEEERN NN=C1CC[C@H]2CCCC[C@H]2C1 308081279 572635987 /nfs/dbraw/zinc/63/59/87/572635987.db2.gz JFOFHRRYZUFXJA-BDAKNGLRSA-N 0 0 166.268 2.291 10 30 AEEERN NN=C1CC[C@@H]2CCCC[C@H]2C1 308081281 572636012 /nfs/dbraw/zinc/63/60/12/572636012.db2.gz JFOFHRRYZUFXJA-IUCAKERBSA-N 0 0 166.268 2.291 10 30 AEEERN C=C(C)[C@@H](O)c1ncc(CC)s1 307648866 572636017 /nfs/dbraw/zinc/63/60/17/572636017.db2.gz HKPHAXXEBJZRND-MRVPVSSYSA-N 0 0 183.276 2.315 10 30 AEEERN C=C1CCC[C@](O)(CCCC)[C@H]1O 306400999 572636041 /nfs/dbraw/zinc/63/60/41/572636041.db2.gz PAAWFERJKCNHOU-WDEREUQCSA-N 0 0 184.279 2.009 10 30 AEEERN C=C(C)C[C@H](O)[C@@H]1C[C@H]1CC 307656958 572637049 /nfs/dbraw/zinc/63/70/49/572637049.db2.gz RIYWWSQHTSIZKZ-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](C)[C@@H](CO)c1ccco1 238370012 572636120 /nfs/dbraw/zinc/63/61/20/572636120.db2.gz AIRUPLUWMBPWKN-DTWKUNHWSA-N 0 0 166.220 2.178 10 30 AEEERN C=C(C)[C@@H]1CCCC[C@@H]1CO 306462322 572636181 /nfs/dbraw/zinc/63/61/81/572636181.db2.gz KECKHXYKHPQHQN-ZJUUUORDSA-N 0 0 154.253 2.361 10 30 AEEERN CCCCS[C@H](C)C#N 48102074 572636231 /nfs/dbraw/zinc/63/62/31/572636231.db2.gz YSCCAVDRODUKQG-SSDOTTSWSA-N 0 0 143.255 2.432 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@]1(O)CC#N 235273138 572636360 /nfs/dbraw/zinc/63/63/60/572636360.db2.gz ZTDHOLHJZMRWFU-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H](C=O)[C@@H](C)C(C)(C)CC=O 238377719 572636932 /nfs/dbraw/zinc/63/69/32/572636932.db2.gz UFDUSFMSKFMYCC-DTWKUNHWSA-N 0 0 170.252 2.073 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1[C@@H](C)C1(C)C 306467432 572636555 /nfs/dbraw/zinc/63/65/55/572636555.db2.gz QOWAFEKPIDVVQG-VGMNWLOBSA-N 0 0 154.253 2.216 10 30 AEEERN CO[C@@](C)([C@H](C)C=O)C(C)(C)C 238375933 572637068 /nfs/dbraw/zinc/63/70/68/572637068.db2.gz QVINFMCURAZYIN-SCZZXKLOSA-N 0 0 172.268 2.273 10 30 AEEERN C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CCO 307689128 572636659 /nfs/dbraw/zinc/63/66/59/572636659.db2.gz MYGDFGIGJANVGM-AXFHLTTASA-N 0 0 166.264 2.361 10 30 AEEERN NN=C1CC[C@H]2CCCC[C@@H]2C1 308081282 572636755 /nfs/dbraw/zinc/63/67/55/572636755.db2.gz JFOFHRRYZUFXJA-RKDXNWHRSA-N 0 0 166.268 2.291 10 30 AEEERN Cc1cc(C)nc(S[C@@H](C)C#N)n1 48101787 572636768 /nfs/dbraw/zinc/63/67/68/572636768.db2.gz NVDKQVDBUCYPAD-QMMMGPOBSA-N 0 0 193.275 2.098 10 30 AEEERN NN=C1CC[C@@H]2CCCC[C@@H]2C1 308081280 572636789 /nfs/dbraw/zinc/63/67/89/572636789.db2.gz JFOFHRRYZUFXJA-DTWKUNHWSA-N 0 0 166.268 2.291 10 30 AEEERN C=C[C@H](CC)[C@H](C)[C@@H](C)O 306419909 572636976 /nfs/dbraw/zinc/63/69/76/572636976.db2.gz YBIHQIBBWHUNKV-IWSPIJDZSA-N 0 0 142.242 2.216 10 30 AEEERN C=C(C)[C@H](NN)c1cccc(F)c1C 307669080 572636977 /nfs/dbraw/zinc/63/69/77/572636977.db2.gz RPXBLBIRZQWJAR-NSHDSACASA-N 0 0 194.253 2.215 10 30 AEEERN C=C(C)CC1(CO)CCSCC1 306447656 572637060 /nfs/dbraw/zinc/63/70/60/572637060.db2.gz FWTZADUAJYMSLL-UHFFFAOYSA-N 0 0 186.320 2.458 10 30 AEEERN C=C[C@H](C)S[C@H]1CCO[C@@H]1C 306447813 572637223 /nfs/dbraw/zinc/63/72/23/572637223.db2.gz VAWFWHNUOMVMIB-YIZRAAEISA-N 0 0 172.293 2.472 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1[C@H](C)C1(C)C 306467427 572637219 /nfs/dbraw/zinc/63/72/19/572637219.db2.gz QOWAFEKPIDVVQG-CIUDSAMLSA-N 0 0 154.253 2.216 10 30 AEEERN CCCCS[C@@H](C)C#N 48102072 572637359 /nfs/dbraw/zinc/63/73/59/572637359.db2.gz YSCCAVDRODUKQG-ZETCQYMHSA-N 0 0 143.255 2.432 10 30 AEEERN C=CC/C(=C/OCC)C(C)=O 307851525 572637499 /nfs/dbraw/zinc/63/74/99/572637499.db2.gz AIRSXUYWTBLSDO-CLFYSBASSA-N 0 0 154.209 2.072 10 30 AEEERN C#C[C@H](O)[C@H]1[C@H](C=C(C)C)C1(C)C 306420075 572637667 /nfs/dbraw/zinc/63/76/67/572637667.db2.gz YPXCMPJQGHIOLN-GARJFASQSA-N 0 0 178.275 2.219 10 30 AEEERN C#C[C@@]1(C)CC[C@H](CO)C1(C)C 307676936 572637670 /nfs/dbraw/zinc/63/76/70/572637670.db2.gz IICBWJOLGHTQDR-KOLCDFICSA-N 0 0 166.264 2.054 10 30 AEEERN CO[C@@H](CC=O)c1ccc(F)cc1 238376029 572638285 /nfs/dbraw/zinc/63/82/85/572638285.db2.gz XNMCGZICZYWOEQ-JTQLQIEISA-N 0 0 182.194 2.102 10 30 AEEERN CO[C@@H](CC=O)c1ccccc1F 238376104 572637755 /nfs/dbraw/zinc/63/77/55/572637755.db2.gz MQMOJNLISPTYLT-JTQLQIEISA-N 0 0 182.194 2.102 10 30 AEEERN C=C[C@@](C)(CO)c1ccccc1OC 238375738 572637795 /nfs/dbraw/zinc/63/77/95/572637795.db2.gz NTQOZTHXHARZRP-LBPRGKRZSA-N 0 0 192.258 2.131 10 30 AEEERN C=C(Cl)CN[C@H](C)C(C)(F)F 307654180 572637806 /nfs/dbraw/zinc/63/78/06/572637806.db2.gz MGCCJSTYLLPABV-ZCFIWIBFSA-N 0 0 183.629 2.372 10 30 AEEERN CO[C@](C)(c1ccccc1)[C@@H](C)C=O 238375885 572637808 /nfs/dbraw/zinc/63/78/08/572637808.db2.gz MOXWBZOTUJDYQD-JQWIXIFHSA-N 0 0 192.258 2.383 10 30 AEEERN C=C[C@H]1C[C@]1(CO)c1ccccc1 306424786 572638288 /nfs/dbraw/zinc/63/82/88/572638288.db2.gz GKCKQMGUXSOJRM-CMPLNLGQSA-N 0 0 174.243 2.123 10 30 AEEERN CO[C@](C)(c1ccccc1)[C@H](C)C=O 238375945 572638005 /nfs/dbraw/zinc/63/80/05/572638005.db2.gz MOXWBZOTUJDYQD-PWSUYJOCSA-N 0 0 192.258 2.383 10 30 AEEERN C#CCON[C@H]1CCC12CCCCC2 306433240 572638132 /nfs/dbraw/zinc/63/81/32/572638132.db2.gz WGOYCFVHOZGZHE-NSHDSACASA-N 0 0 193.290 2.254 10 30 AEEERN C=CCC[C@H](O)[C@@]1(C)C[C@H]1F 307638642 572638188 /nfs/dbraw/zinc/63/81/88/572638188.db2.gz AMXJNPCAOHVJAD-VGMNWLOBSA-N 0 0 158.216 2.062 10 30 AEEERN C[C@H](CC=O)CCc1ccoc1 238377753 572638301 /nfs/dbraw/zinc/63/83/01/572638301.db2.gz PXYHFBYMRZIMOB-VIFPVBQESA-N 0 0 166.220 2.437 10 30 AEEERN CO[C@](C=O)(SC)c1ccccc1 238377274 572638451 /nfs/dbraw/zinc/63/84/51/572638451.db2.gz DFDVBNQHVWGORC-SNVBAGLBSA-N 0 0 196.271 2.048 10 30 AEEERN C=C[C@H](O)c1csc(C)c1 307635560 572638501 /nfs/dbraw/zinc/63/85/01/572638501.db2.gz VITIKALTRMZCSL-QMMMGPOBSA-N 0 0 154.234 2.276 10 30 AEEERN CO[C@@H](CCC=O)c1ccccc1 238376642 572638508 /nfs/dbraw/zinc/63/85/08/572638508.db2.gz GIZZCVVSPJRWHY-NSHDSACASA-N 0 0 178.231 2.353 10 30 AEEERN CO[C@@](C)([C@@H](C)C=O)C(C)(C)C 238375865 572638688 /nfs/dbraw/zinc/63/86/88/572638688.db2.gz QVINFMCURAZYIN-WPRPVWTQSA-N 0 0 172.268 2.273 10 30 AEEERN C[C@H](CC#N)N1CCc2ccccc21 48246567 572638715 /nfs/dbraw/zinc/63/87/15/572638715.db2.gz RTSSPZGWSJQBRY-SNVBAGLBSA-N 0 0 186.258 2.351 10 30 AEEERN CC#CCC[C@]1(O)C[C@@H](C)[C@H]1C 306474789 572638986 /nfs/dbraw/zinc/63/89/86/572638986.db2.gz WLGNFCSWGOJCDF-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C=CCC[C@@H](C#CCCCC=O)OC 238376537 572638991 /nfs/dbraw/zinc/63/89/91/572638991.db2.gz SDYZCLPILTYJRK-LBPRGKRZSA-N 0 0 194.274 2.340 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(F)[C@H](O)C1 306497481 572639303 /nfs/dbraw/zinc/63/93/03/572639303.db2.gz GEZSNFYPFHCVDU-OPRDCNLKSA-N 0 0 172.243 2.452 10 30 AEEERN C=CCCC(=O)[C@]1(C)C[C@@H]1F 307656292 572650400 /nfs/dbraw/zinc/65/04/00/572650400.db2.gz QCIGTYIEBFZIIE-IONNQARKSA-N 0 0 156.200 2.270 10 30 AEEERN C=C[C@@H](C(C)C)[C@H](O)C(C)C 307647370 572639225 /nfs/dbraw/zinc/63/92/25/572639225.db2.gz CPPSQOLAOHZXDC-VHSXEESVSA-N 0 0 156.269 2.462 10 30 AEEERN CCC1=CC(=O)CC[C@H]1CCC=O 72986354 572639270 /nfs/dbraw/zinc/63/92/70/572639270.db2.gz SYRLIJAITZXBSO-SNVBAGLBSA-N 0 0 180.247 2.281 10 30 AEEERN C=C[C@H](C(C)C)[C@H](O)/C=C/C 307648334 572639577 /nfs/dbraw/zinc/63/95/77/572639577.db2.gz DRPCIOWZGYQDHN-NDDURPPSSA-N 0 0 154.253 2.382 10 30 AEEERN C=C[C@H](C)S[C@@H]1CCO[C@H]1C 306447812 572641250 /nfs/dbraw/zinc/64/12/50/572641250.db2.gz VAWFWHNUOMVMIB-XHNCKOQMSA-N 0 0 172.293 2.472 10 30 AEEERN C=C1C=C[C@H]([C@H](C)CO)CC1 306441494 572641188 /nfs/dbraw/zinc/64/11/88/572641188.db2.gz SXXKHUCJLRMFIY-ZJUUUORDSA-N 0 0 152.237 2.137 10 30 AEEERN C=CCSCCCF 306480183 572641197 /nfs/dbraw/zinc/64/11/97/572641197.db2.gz HXBWSSFMDRVSLK-UHFFFAOYSA-N 0 0 134.219 2.265 10 30 AEEERN C=C[C@@H](C)Nc1ccc2c(c1)OCO2 235279039 572640125 /nfs/dbraw/zinc/64/01/25/572640125.db2.gz IZOHLKOARLGSEC-MRVPVSSYSA-N 0 0 191.230 2.402 10 30 AEEERN Cc1ccc(C#CC(C)(C)O)c(F)c1 222451498 572640185 /nfs/dbraw/zinc/64/01/85/572640185.db2.gz YSZPVSWVLGDXKE-UHFFFAOYSA-N 0 0 192.233 2.257 10 30 AEEERN O=CCCC/C=C1/CCCCC1=O 72986362 572640212 /nfs/dbraw/zinc/64/02/12/572640212.db2.gz ZDFUVEPIOKGZHO-POHAHGRESA-N 0 0 180.247 2.425 10 30 AEEERN C[C@H]1CCC(=O)C=C1CCCC=O 72986357 572640240 /nfs/dbraw/zinc/64/02/40/572640240.db2.gz SCNDVVKWVVPVGQ-VIFPVBQESA-N 0 0 180.247 2.281 10 30 AEEERN C=C(CC)CNc1ccc(OC)nc1 85056849 572640330 /nfs/dbraw/zinc/64/03/30/572640330.db2.gz HVPXNXMVDMEIDO-UHFFFAOYSA-N 0 0 192.262 2.468 10 30 AEEERN C=C[C@H](C)[C@H](O)c1ccc(CO)cc1 238374154 572640460 /nfs/dbraw/zinc/64/04/60/572640460.db2.gz YMFKAMHQKFQAFX-CABZTGNLSA-N 0 0 192.258 2.034 10 30 AEEERN C[C@H](CC=O)CC[C@H](C)C(C)(C)O 238373522 572640487 /nfs/dbraw/zinc/64/04/87/572640487.db2.gz ITTXCNTYNYSBEU-UWVGGRQHSA-N 0 0 186.295 2.399 10 30 AEEERN C[C@H](C=O)CC[C@H]1CCOC1(C)C 238374358 572640492 /nfs/dbraw/zinc/64/04/92/572640492.db2.gz WHINHGZWXIEYCX-UWVGGRQHSA-N 0 0 184.279 2.417 10 30 AEEERN C=C(C)[C@@H](O)CC[C@H](C)CC(C)=O 238373980 572640510 /nfs/dbraw/zinc/64/05/10/572640510.db2.gz XRMSGXJAPQDHHQ-ONGXEEELSA-N 0 0 184.279 2.319 10 30 AEEERN COc1ccc2cc(C#N)cc(O)c2c1 238373012 572641231 /nfs/dbraw/zinc/64/12/31/572641231.db2.gz UGZMMQHTCMZSJH-UHFFFAOYSA-N 0 0 199.209 2.426 10 30 AEEERN C=C[C@H](C)[C@H](O)CCc1ccco1 238373851 572640659 /nfs/dbraw/zinc/64/06/59/572640659.db2.gz GULVCWRDKLUAFW-GXSJLCMTSA-N 0 0 180.247 2.395 10 30 AEEERN C=C[C@H](C)Sc1ncccn1 306471463 572640721 /nfs/dbraw/zinc/64/07/21/572640721.db2.gz RSTLMDKVRRJVEG-ZETCQYMHSA-N 0 0 166.249 2.143 10 30 AEEERN N#CCCON=Cc1cccs1 308083361 572640806 /nfs/dbraw/zinc/64/08/06/572640806.db2.gz LGGMLOGQXICVGK-UHFFFAOYSA-N 0 0 180.232 2.012 10 30 AEEERN C=C[C@H](OC)[C@@H](O)c1ccccc1C 238373072 572641241 /nfs/dbraw/zinc/64/12/41/572641241.db2.gz CXKYRVUFEUMWDB-RYUDHWBXSA-N 0 0 192.258 2.229 10 30 AEEERN C=C[C@]1(C)Cc2occ(C)c2C[C@@H]1O 306441824 572640880 /nfs/dbraw/zinc/64/08/80/572640880.db2.gz OXLPIOWVJNCSJZ-NWDGAFQWSA-N 0 0 192.258 2.240 10 30 AEEERN C=CC[C@@H](CC[C@H](C)C=O)OC(C)=O 238373705 572641069 /nfs/dbraw/zinc/64/10/69/572641069.db2.gz ZIIVBXPJTCQOLE-ONGXEEELSA-N 0 0 198.262 2.109 10 30 AEEERN C=C[C@H](C)[C@H](O)Cc1ccco1 238373945 572641134 /nfs/dbraw/zinc/64/11/34/572641134.db2.gz WMQFWSYNFIYRJM-WCBMZHEXSA-N 0 0 166.220 2.005 10 30 AEEERN C#C[C@H](O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 306420077 572641147 /nfs/dbraw/zinc/64/11/47/572641147.db2.gz YPXCMPJQGHIOLN-VWYCJHECSA-N 0 0 178.275 2.219 10 30 AEEERN C=C[C@H](C)[C@H](O)Cc1cccs1 238373960 572641162 /nfs/dbraw/zinc/64/11/62/572641162.db2.gz LQWAYWKPQVLWLL-WCBMZHEXSA-N 0 0 182.288 2.474 10 30 AEEERN CCCCC[C@](C)(C#N)NCC 87648436 572642580 /nfs/dbraw/zinc/64/25/80/572642580.db2.gz HSLUOPUUKUFNRN-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN COc1ccc2cc(C#N)ccc2c1O 238373038 572641592 /nfs/dbraw/zinc/64/15/92/572641592.db2.gz CILBAMFPCBLBEC-UHFFFAOYSA-N 0 0 199.209 2.426 10 30 AEEERN C[C@H](C#N)CC[C@H](O)C(C)(C)C 238373914 572641603 /nfs/dbraw/zinc/64/16/03/572641603.db2.gz MCOLBPRSMKSTSW-IUCAKERBSA-N 0 0 169.268 2.333 10 30 AEEERN CC#C[C@H](O)C(C(C)C)C(C)C 306451237 572641657 /nfs/dbraw/zinc/64/16/57/572641657.db2.gz BXLBHAGPOFTPCK-JTQLQIEISA-N 0 0 168.280 2.299 10 30 AEEERN COc1cccc(C[C@H](C)C=O)c1C 238372943 572641732 /nfs/dbraw/zinc/64/17/32/572641732.db2.gz QKYQSRZCCRLZCU-VIFPVBQESA-N 0 0 192.258 2.381 10 30 AEEERN C=C(C)[C@@H]1CCCC[C@H]1CO 306462306 572641736 /nfs/dbraw/zinc/64/17/36/572641736.db2.gz KECKHXYKHPQHQN-UWVGGRQHSA-N 0 0 154.253 2.361 10 30 AEEERN CCCCC[C@@](C)(O)[C@H](C)C#N 87650076 572647579 /nfs/dbraw/zinc/64/75/79/572647579.db2.gz LEGSVSLWNOOGEC-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN C=C1C=C[C@@H]([C@@H](C)CO)CC1 306441493 572642250 /nfs/dbraw/zinc/64/22/50/572642250.db2.gz SXXKHUCJLRMFIY-VHSXEESVSA-N 0 0 152.237 2.137 10 30 AEEERN CC#C[C@@](C)(O)c1cccc(F)c1F 307614481 572647612 /nfs/dbraw/zinc/64/76/12/572647612.db2.gz OTBSPRUQEOQYDS-LLVKDONJSA-N 0 0 196.196 2.196 10 30 AEEERN C=C1CCC[C@H](O)[C@@H]1C(C)C 306430766 572642355 /nfs/dbraw/zinc/64/23/55/572642355.db2.gz GKJOISDJSXXEFB-VHSXEESVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(CC)Cn1nc(C)c(C=O)c1C 85060606 572642405 /nfs/dbraw/zinc/64/24/05/572642405.db2.gz OUFUKWRDAVUOSS-UHFFFAOYSA-N 0 0 192.262 2.279 10 30 AEEERN CO[C@H](CC=O)CCc1ccccc1 238377947 572642416 /nfs/dbraw/zinc/64/24/16/572642416.db2.gz WWKMZWXTHVZGTO-LBPRGKRZSA-N 0 0 192.258 2.223 10 30 AEEERN C=C(CC)C[NH2+][C@@H](CC(C)C)C(=O)[O-] 85060044 572642477 /nfs/dbraw/zinc/64/24/77/572642477.db2.gz IKHYBJLHYZOTSU-JTQLQIEISA-N 0 0 199.294 2.042 10 30 AEEERN C=C[C@H](OC)[C@H](O)c1ccccc1C 238373260 572642515 /nfs/dbraw/zinc/64/25/15/572642515.db2.gz CXKYRVUFEUMWDB-NWDGAFQWSA-N 0 0 192.258 2.229 10 30 AEEERN C=C[C@H](C)[C@H](CO)c1ccco1 238373121 572642555 /nfs/dbraw/zinc/64/25/55/572642555.db2.gz AIRUPLUWMBPWKN-IUCAKERBSA-N 0 0 166.220 2.178 10 30 AEEERN CCCCC[C@](C)(C#N)NCCOC 87648612 572642651 /nfs/dbraw/zinc/64/26/51/572642651.db2.gz MZQZONMRTUFBMR-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCC[C@H](C#N)[C@](C)(O)CCC 87650036 572648496 /nfs/dbraw/zinc/64/84/96/572648496.db2.gz DQJNVBOHRACARQ-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN C#C/C(C)=C/C[C@@H]1CCCC1=O 306475347 572642731 /nfs/dbraw/zinc/64/27/31/572642731.db2.gz XLPVXLSEPUDHHZ-PCYYEKQGSA-N 0 0 162.232 2.325 10 30 AEEERN CC(=O)[C@@H](C)CC[C@H]1OC1(C)C 238374437 572642770 /nfs/dbraw/zinc/64/27/70/572642770.db2.gz NJWNABURHSJTJA-IONNQARKSA-N 0 0 170.252 2.169 10 30 AEEERN CCCCC[C@@](C)(C#N)NCC 87648435 572642808 /nfs/dbraw/zinc/64/28/08/572642808.db2.gz HSLUOPUUKUFNRN-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN C#CCN[C@@](C)(C#N)CCCCC 87648604 572642826 /nfs/dbraw/zinc/64/28/26/572642826.db2.gz QXSNUTMWVJXVPN-LLVKDONJSA-N 0 0 178.279 2.072 10 30 AEEERN C=C[C@H](C)OC(=O)/C(C)=C\C 307642409 572642946 /nfs/dbraw/zinc/64/29/46/572642946.db2.gz LSUNMKHMXUJYNI-TVSKSKRASA-N 0 0 154.209 2.070 10 30 AEEERN C=C[C@]1(CC)C[C@@]1(CC)CO 307653531 572642951 /nfs/dbraw/zinc/64/29/51/572642951.db2.gz LJQGTQNESAOVKP-UWVGGRQHSA-N 0 0 154.253 2.361 10 30 AEEERN CCC(C)=CC(=O)c1ncccn1 85060736 572642976 /nfs/dbraw/zinc/64/29/76/572642976.db2.gz XMPIMSOZNKQQMJ-UHFFFAOYSA-N 0 0 176.219 2.016 10 30 AEEERN C=C(CC)CC(=O)CCCOC 85060950 572643005 /nfs/dbraw/zinc/64/30/05/572643005.db2.gz GJCZGURFAHVZHK-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C[C@H](CC#N)Sc1ccccn1 48247694 572643082 /nfs/dbraw/zinc/64/30/82/572643082.db2.gz WXIMEYUQNFJXSO-MRVPVSSYSA-N 0 0 178.260 2.476 10 30 AEEERN C=C(CC)CC(=O)C1CCOCC1 85060991 572643137 /nfs/dbraw/zinc/64/31/37/572643137.db2.gz IWDGVDRSPGUUGB-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN C=CCCC[C@H]1C=CC[C@H]1O 307647024 572643198 /nfs/dbraw/zinc/64/31/98/572643198.db2.gz CELMLKUODVDIAJ-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN CCS[C@H](C)CC#N 48247787 572643271 /nfs/dbraw/zinc/64/32/71/572643271.db2.gz SOXRHPPHNFBMTC-ZCFIWIBFSA-N 0 0 129.228 2.042 10 30 AEEERN CC#CCN(C)c1cccc(F)c1 307687732 572643414 /nfs/dbraw/zinc/64/34/14/572643414.db2.gz FFEQOIMYOVFFBH-UHFFFAOYSA-N 0 0 177.222 2.285 10 30 AEEERN C=C(CC)CC(=O)[C@@H]1CCCO1 85060982 572643477 /nfs/dbraw/zinc/64/34/77/572643477.db2.gz HSTYFAQRKPDSEH-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CC(C)S[C@H](C)CC#N 48247951 572643483 /nfs/dbraw/zinc/64/34/83/572643483.db2.gz UFYDSYODEAMMPN-SSDOTTSWSA-N 0 0 143.255 2.430 10 30 AEEERN C=C(CC)C[N@@H+](CC)[C@@H](C)CC(=O)[O-] 85060114 572643588 /nfs/dbraw/zinc/64/35/88/572643588.db2.gz IGQVLSDOODMLTN-JTQLQIEISA-N 0 0 199.294 2.138 10 30 AEEERN C=CCc1noc(C2CC=CC2)n1 306445885 572643618 /nfs/dbraw/zinc/64/36/18/572643618.db2.gz UCQGUPDPOGFZPK-UHFFFAOYSA-N 0 0 176.219 2.232 10 30 AEEERN CCCCC[C@](C)(C#N)NC 87648432 572643644 /nfs/dbraw/zinc/64/36/44/572643644.db2.gz PAJBJHMHUINJOA-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN C=C1CC[C@@H]([C@]2(C)CO2)C[C@H]1CCO 307643828 572643764 /nfs/dbraw/zinc/64/37/64/572643764.db2.gz MGTXZPIMKUMXEC-UTUOFQBUSA-N 0 0 196.290 2.130 10 30 AEEERN COCCCCC1(C#N)CC1 307852777 572643712 /nfs/dbraw/zinc/64/37/12/572643712.db2.gz BIKWEZDZZGVAFN-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN C#CCOC(C)(C)[Si](C)(C)C 306496041 572643735 /nfs/dbraw/zinc/64/37/35/572643735.db2.gz RFGKEDCYEBGHSN-UHFFFAOYSA-N 0 0 170.328 2.292 10 30 AEEERN CCCCC[C@](C)(C#N)N(C)C 87649550 572643783 /nfs/dbraw/zinc/64/37/83/572643783.db2.gz HWFWYBGKZQXCKB-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN C=C(CC)CC(=O)COCCC 85060793 572643924 /nfs/dbraw/zinc/64/39/24/572643924.db2.gz MLNLQEVSVRSUBQ-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C=C(CC)CC(=O)C[C@@H]1CCCO1 85060700 572644203 /nfs/dbraw/zinc/64/42/03/572644203.db2.gz ULTOSDAHGFYUCO-NSHDSACASA-N 0 0 182.263 2.481 10 30 AEEERN CCCCC[C@@](C)(C#N)N(C)C 87649549 572644242 /nfs/dbraw/zinc/64/42/42/572644242.db2.gz HWFWYBGKZQXCKB-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN C#CCSCC(=C)CC 307683286 572644288 /nfs/dbraw/zinc/64/42/88/572644288.db2.gz UEGXPJMMPBAGCW-UHFFFAOYSA-N 0 0 140.251 2.319 10 30 AEEERN C=C(CC)CC(=O)C[C@H]1CCCO1 85060703 572644338 /nfs/dbraw/zinc/64/43/38/572644338.db2.gz ULTOSDAHGFYUCO-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN C=C(CC)CN(CC#N)CCC 85059090 572644471 /nfs/dbraw/zinc/64/44/71/572644471.db2.gz GCCNFPQTIRDRTI-UHFFFAOYSA-N 0 0 166.268 2.188 10 30 AEEERN C=C(CC)CC(=O)[C@H]1CCCO1 85060984 572644507 /nfs/dbraw/zinc/64/45/07/572644507.db2.gz HSTYFAQRKPDSEH-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(CC)CC(=O)[C@@H](C)OCC 85060925 572644543 /nfs/dbraw/zinc/64/45/43/572644543.db2.gz WDOPQZXDXFTLMK-SECBINFHSA-N 0 0 170.252 2.337 10 30 AEEERN CCC(C)=CC(=O)c1cnccn1 85060735 572644545 /nfs/dbraw/zinc/64/45/45/572644545.db2.gz FROMQJSAFDGTBL-UHFFFAOYSA-N 0 0 176.219 2.016 10 30 AEEERN CC(C)S[C@@H](C)CC#N 48247947 572644562 /nfs/dbraw/zinc/64/45/62/572644562.db2.gz UFYDSYODEAMMPN-ZETCQYMHSA-N 0 0 143.255 2.430 10 30 AEEERN CCC(C)=CC(=O)c1ccncn1 85060907 572644690 /nfs/dbraw/zinc/64/46/90/572644690.db2.gz PBZVBRMIBAZFBJ-UHFFFAOYSA-N 0 0 176.219 2.016 10 30 AEEERN C[C@H](CC#N)C(=O)c1ccc(C#N)cc1 48258984 572644694 /nfs/dbraw/zinc/64/46/94/572644694.db2.gz WMEBMSNQVAQJKZ-SECBINFHSA-N 0 0 198.225 2.291 10 30 AEEERN CC[C@H](C)C=NOCC(F)F 307854361 572644745 /nfs/dbraw/zinc/64/47/45/572644745.db2.gz CRLGEZRSBHMXDP-LURJTMIESA-N 0 0 165.183 2.300 10 30 AEEERN FC(F)(F)CCNN=C1CCC1 308082303 572644845 /nfs/dbraw/zinc/64/48/45/572644845.db2.gz KNPWUKQQNQVLHS-UHFFFAOYSA-N 0 0 180.173 2.068 10 30 AEEERN CC[C@@H](C)C=NOCC(F)F 307854365 572644878 /nfs/dbraw/zinc/64/48/78/572644878.db2.gz CRLGEZRSBHMXDP-ZCFIWIBFSA-N 0 0 165.183 2.300 10 30 AEEERN C=C(CC)CC(=O)[C@@H]1CCCOC1 85060994 572644898 /nfs/dbraw/zinc/64/48/98/572644898.db2.gz TWYMNPBMNTXLIP-SNVBAGLBSA-N 0 0 182.263 2.338 10 30 AEEERN CC(C)c1nccn1[C@H](C)CC#N 48246995 572644949 /nfs/dbraw/zinc/64/49/49/572644949.db2.gz GBOBHGOTUKMLRX-SECBINFHSA-N 0 0 177.251 2.481 10 30 AEEERN CCCCC[C@@](C)(C#N)NC 87648431 572645022 /nfs/dbraw/zinc/64/50/22/572645022.db2.gz PAJBJHMHUINJOA-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN C=C(C)C[C@@]1(C)C(=O)CCC[C@H]1O 306490882 572645026 /nfs/dbraw/zinc/64/50/26/572645026.db2.gz ZNDQLUNDUYIYFW-MWLCHTKSSA-N 0 0 182.263 2.073 10 30 AEEERN C=C(CC)CN(CC#N)C(C)C 85059132 572645050 /nfs/dbraw/zinc/64/50/50/572645050.db2.gz NGOOTHQTHLIEAN-UHFFFAOYSA-N 0 0 166.268 2.187 10 30 AEEERN C#CCCCSCCCF 306463740 572645177 /nfs/dbraw/zinc/64/51/77/572645177.db2.gz BRVMJEXHFHYQOJ-UHFFFAOYSA-N 0 0 160.257 2.493 10 30 AEEERN C[C@H](CC#N)C(=O)c1cccc(C#N)c1 48259034 572645303 /nfs/dbraw/zinc/64/53/03/572645303.db2.gz CKGWPIMAMRQRSX-SECBINFHSA-N 0 0 198.225 2.291 10 30 AEEERN C=CCSc1ccc(N)c(C)n1 306462313 572645331 /nfs/dbraw/zinc/64/53/31/572645331.db2.gz FWYFLOPXVAQMTP-UHFFFAOYSA-N 0 0 180.276 2.250 10 30 AEEERN C#CCN[C@](C)(C#N)CCCCC 87648603 572645440 /nfs/dbraw/zinc/64/54/40/572645440.db2.gz QXSNUTMWVJXVPN-NSHDSACASA-N 0 0 178.279 2.072 10 30 AEEERN C=C(CC)C[N@@H+](CC)[C@H](C)CC(=O)[O-] 85060116 572645454 /nfs/dbraw/zinc/64/54/54/572645454.db2.gz IGQVLSDOODMLTN-SNVBAGLBSA-N 0 0 199.294 2.138 10 30 AEEERN C=C(CC)CC(=O)[C@H]1CCCOC1 85060996 572645539 /nfs/dbraw/zinc/64/55/39/572645539.db2.gz TWYMNPBMNTXLIP-JTQLQIEISA-N 0 0 182.263 2.338 10 30 AEEERN C=C(Cl)CSC(=S)OC 306480840 572645766 /nfs/dbraw/zinc/64/57/66/572645766.db2.gz IRPKDHBSFDQJBK-UHFFFAOYSA-N 0 0 182.697 2.403 10 30 AEEERN C=C(CC)CN(CCC#N)C1CC1 85059078 572645771 /nfs/dbraw/zinc/64/57/71/572645771.db2.gz GHORUGARFJEDGX-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN C=C[C@]1(C(C)C)CC[C@H](O)C1 306436452 572645805 /nfs/dbraw/zinc/64/58/05/572645805.db2.gz DFJUTSUGNYZEFP-UWVGGRQHSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(CC)CC(=O)[C@H](C)OCC 85060927 572645865 /nfs/dbraw/zinc/64/58/65/572645865.db2.gz WDOPQZXDXFTLMK-VIFPVBQESA-N 0 0 170.252 2.337 10 30 AEEERN CC(C)c1nccn1[C@@H](C)CC#N 48246992 572645882 /nfs/dbraw/zinc/64/58/82/572645882.db2.gz GBOBHGOTUKMLRX-VIFPVBQESA-N 0 0 177.251 2.481 10 30 AEEERN CCS[C@@H](C)CC#N 48247783 572645936 /nfs/dbraw/zinc/64/59/36/572645936.db2.gz SOXRHPPHNFBMTC-LURJTMIESA-N 0 0 129.228 2.042 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(F)[C@H](O)C1 306497479 572645986 /nfs/dbraw/zinc/64/59/86/572645986.db2.gz GEZSNFYPFHCVDU-BBBLOLIVSA-N 0 0 172.243 2.452 10 30 AEEERN C=CCOc1c(O)ccc(OC)c1C 238378764 572646034 /nfs/dbraw/zinc/64/60/34/572646034.db2.gz LHSCTJDSBRRPGK-UHFFFAOYSA-N 0 0 194.230 2.274 10 30 AEEERN C#CCC[C@](C)(O)C1CCCC1 307600179 572646133 /nfs/dbraw/zinc/64/61/33/572646133.db2.gz QSMQEFHXYDYXAM-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CCCCC[C@@](C)(C#N)NCCOC 87648611 572646211 /nfs/dbraw/zinc/64/62/11/572646211.db2.gz MZQZONMRTUFBMR-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN C=C(CC)C[NH2+][C@H](CC(C)C)C(=O)[O-] 85060048 572646279 /nfs/dbraw/zinc/64/62/79/572646279.db2.gz IKHYBJLHYZOTSU-SNVBAGLBSA-N 0 0 199.294 2.042 10 30 AEEERN C=C[C@@]1(C(C)C)CC[C@H](O)C1 306436454 572646335 /nfs/dbraw/zinc/64/63/35/572646335.db2.gz DFJUTSUGNYZEFP-VHSXEESVSA-N 0 0 154.253 2.360 10 30 AEEERN CC[C@H](C)OCCCC#N 48264551 572648434 /nfs/dbraw/zinc/64/84/34/572648434.db2.gz SIAHSOVHDNAFTF-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN C=C[C@]1(C)CCCC[C@@H]1CO 306418782 572646352 /nfs/dbraw/zinc/64/63/52/572646352.db2.gz UNUFFBYBGOKYSX-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN CC#CC(=O)Nc1csc(Cl)c1 307699686 572646366 /nfs/dbraw/zinc/64/63/66/572646366.db2.gz PESWASHOQBDTSN-UHFFFAOYSA-N 0 0 199.662 2.363 10 30 AEEERN CCC[C@@](C)(O)[C@@](C)(C#N)CC 87650004 572648490 /nfs/dbraw/zinc/64/84/90/572648490.db2.gz GTLPAPMADMNAPS-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN C#CCCC(=O)C1(CC)CC1 307643725 572646467 /nfs/dbraw/zinc/64/64/67/572646467.db2.gz PVEKUJCRBKJKCF-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C=C(C)[C@@H]1C=C[C@H](O)[C@@H](C)C1 306431733 572646513 /nfs/dbraw/zinc/64/65/13/572646513.db2.gz UBTIZKNMXAJQJG-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1CC[C@@H]2[C@H](CO)CCC[C@@H]12 306451164 572646523 /nfs/dbraw/zinc/64/65/23/572646523.db2.gz LIGLYLZFAOZKCM-GARJFASQSA-N 0 0 166.264 2.361 10 30 AEEERN C=CC[C@]1(C)C=CC=C[C@@H]1O 306421406 572646546 /nfs/dbraw/zinc/64/65/46/572646546.db2.gz HBHFYYJURWQOMP-VHSXEESVSA-N 0 0 150.221 2.056 10 30 AEEERN C=C(C)[C@H](O)[C@H]1[C@@H](C)C1(C)C 306467430 572646580 /nfs/dbraw/zinc/64/65/80/572646580.db2.gz QOWAFEKPIDVVQG-HLTSFMKQSA-N 0 0 154.253 2.216 10 30 AEEERN CC[C@H](C)[C@@H](O)C#C[Si](C)(C)C 306453861 572646602 /nfs/dbraw/zinc/64/66/02/572646602.db2.gz KKZNTGMKANQPFE-UWVGGRQHSA-N 0 0 184.355 2.274 10 30 AEEERN C/C=C/CN(C)CC(C)(C)C#N 308085425 572646619 /nfs/dbraw/zinc/64/66/19/572646619.db2.gz NHDYTSIIDKANET-AATRIKPKSA-N 0 0 166.268 2.044 10 30 AEEERN CCC[C@@](C)(O)[C@](C)(C#N)CC 87650002 572646650 /nfs/dbraw/zinc/64/66/50/572646650.db2.gz GTLPAPMADMNAPS-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN CC#C[C@H](O)c1ccc(OC)c(C)c1 307694809 572646695 /nfs/dbraw/zinc/64/66/95/572646695.db2.gz XYLWJVGNOJBVPR-NSHDSACASA-N 0 0 190.242 2.060 10 30 AEEERN C=C(CC)C[C@H](O)[C@H](C)OCC 85061692 572646728 /nfs/dbraw/zinc/64/67/28/572646728.db2.gz QFBIXUUDCIAZSN-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN CCCCC[C@](C)(C#N)OC 87649944 572646763 /nfs/dbraw/zinc/64/67/63/572646763.db2.gz WDVGNQJPMUILQI-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN C=C(CC)C[C@@H](O)CCCOC 85061740 572646797 /nfs/dbraw/zinc/64/67/97/572646797.db2.gz YADTUKPNTQDFAG-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN C=CC[C@H](O)c1cc(OC)ccc1O 238379426 572646823 /nfs/dbraw/zinc/64/68/23/572646823.db2.gz CNWSMELOTFPTMS-JTQLQIEISA-N 0 0 194.230 2.010 10 30 AEEERN C#C[C@@H]1C[C@@H]2CCCC[C@H]2C[C@H]1O 307613044 572646866 /nfs/dbraw/zinc/64/68/66/572646866.db2.gz JDVNVEIXPATZPC-NOOOWODRSA-N 0 0 178.275 2.197 10 30 AEEERN C=C(CC)C[C@H](O)Cc1ccccn1 85061259 572646922 /nfs/dbraw/zinc/64/69/22/572646922.db2.gz PSKVDBZLARBFJZ-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN CCCCC[C@](C)(O)[C@@H](C)C#N 87650073 572646937 /nfs/dbraw/zinc/64/69/37/572646937.db2.gz LEGSVSLWNOOGEC-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN CC[C@@H](C)OCCCC#N 48264550 572646981 /nfs/dbraw/zinc/64/69/81/572646981.db2.gz SIAHSOVHDNAFTF-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN C=C1[C@H]([C@@H](C)O)[C@]1(C)C(C)C 306443182 572647015 /nfs/dbraw/zinc/64/70/15/572647015.db2.gz MDNVLWWZPUMHCS-OPRDCNLKSA-N 0 0 154.253 2.216 10 30 AEEERN CCCCC[C@@](C)(O)CC#N 87650070 572647020 /nfs/dbraw/zinc/64/70/20/572647020.db2.gz KBCZHOJYLRRFCY-SECBINFHSA-N 0 0 155.241 2.231 10 30 AEEERN C=C(CC)C[C@H](O)c1ccncc1 85061188 572647054 /nfs/dbraw/zinc/64/70/54/572647054.db2.gz YGWHSKGXAYJDSS-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN N#Cc1nnc2ccccc2c1N=[N+]=[N-] 87667300 572647106 /nfs/dbraw/zinc/64/71/06/572647106.db2.gz VJRUQCXCWUTZDK-UHFFFAOYSA-N 0 0 196.173 2.443 10 30 AEEERN CCC[C@@H](C#N)[C@](C)(O)CCC 87650035 572647206 /nfs/dbraw/zinc/64/72/06/572647206.db2.gz DQJNVBOHRACARQ-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN CCCCC[C@](C)(O)CC#N 87650069 572647246 /nfs/dbraw/zinc/64/72/46/572647246.db2.gz KBCZHOJYLRRFCY-VIFPVBQESA-N 0 0 155.241 2.231 10 30 AEEERN C/C=C\CN(C)CC(C)(C)C#N 308085426 572647256 /nfs/dbraw/zinc/64/72/56/572647256.db2.gz NHDYTSIIDKANET-WAYWQWQTSA-N 0 0 166.268 2.044 10 30 AEEERN C=C(CC)C[C@H](O)c1cccnc1 85061182 572647268 /nfs/dbraw/zinc/64/72/68/572647268.db2.gz UFXUYGFPFAWCQX-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN C=C(CC)C[C@@H](O)C[C@@H]1CCCO1 85061234 572647284 /nfs/dbraw/zinc/64/72/84/572647284.db2.gz UYBGTSPBEWRQQR-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN C#CCSC[C@@H]1CCO[C@@H](C)C1 306454164 572648834 /nfs/dbraw/zinc/64/88/34/572648834.db2.gz ZCRIFIZQPFOIBH-VHSXEESVSA-N 0 0 184.304 2.168 10 30 AEEERN CCCCC[C@@](C)(C#N)OC 87649943 572647365 /nfs/dbraw/zinc/64/73/65/572647365.db2.gz WDVGNQJPMUILQI-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN CCCCC[C@](C)(O)[C@H](C)C#N 87650075 572647370 /nfs/dbraw/zinc/64/73/70/572647370.db2.gz LEGSVSLWNOOGEC-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN C=C[C@]1(C)C(=O)C[C@@H](C(=C)C)C[C@@H]1O 306439874 572647673 /nfs/dbraw/zinc/64/76/73/572647673.db2.gz HMIQUWAHUGXTHJ-NHCYSSNCSA-N 0 0 194.274 2.095 10 30 AEEERN C=CC[C@]1(C)C(=O)CCCC[C@H]1O 306451656 572647831 /nfs/dbraw/zinc/64/78/31/572647831.db2.gz DNIPPZHKDNDBRG-KOLCDFICSA-N 0 0 182.263 2.073 10 30 AEEERN CC[C@H](CC#N)[NH2+]C[C@@H]1CCCS1 87669012 572647832 /nfs/dbraw/zinc/64/78/32/572647832.db2.gz DKJRGBSHOIKWII-ZJUUUORDSA-N 0 0 198.335 2.164 10 30 AEEERN C=C(CC)C[C@H](O)[C@@H]1CCCOC1 85061838 572647862 /nfs/dbraw/zinc/64/78/62/572647862.db2.gz LIICFWUMTHGVCF-MNOVXSKESA-N 0 0 184.279 2.130 10 30 AEEERN C=C(CC)C[C@@H](O)Cc1cccnc1 85061520 572647864 /nfs/dbraw/zinc/64/78/64/572647864.db2.gz WCSSBSRUAUPMPH-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=C(CC)C[C@H](O)C1CCOCC1 85061832 572647870 /nfs/dbraw/zinc/64/78/70/572647870.db2.gz COUNOJAUIBWZJR-NSHDSACASA-N 0 0 184.279 2.130 10 30 AEEERN C=C(CC)C[C@@H](O)[C@H]1CCCOC1 85061846 572647911 /nfs/dbraw/zinc/64/79/11/572647911.db2.gz LIICFWUMTHGVCF-WDEREUQCSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(CC)C[C@@H](O)COCCC 85061460 572647931 /nfs/dbraw/zinc/64/79/31/572647931.db2.gz UAAJVOPGIUGLIY-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN C=C(CC)C[C@H](O)Cc1ccncc1 85061521 572647992 /nfs/dbraw/zinc/64/79/92/572647992.db2.gz JDCGMYVCVBXGNY-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN CC(=NNC(C)(C)C)C1CC1 307852226 572648021 /nfs/dbraw/zinc/64/80/21/572648021.db2.gz BVVMMUYSSBJOGA-UHFFFAOYSA-N 0 0 154.257 2.160 10 30 AEEERN C=C(CC)C[C@H](O)[C@H]1CCCOC1 85061843 572648079 /nfs/dbraw/zinc/64/80/79/572648079.db2.gz LIICFWUMTHGVCF-QWRGUYRKSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(CC)C[C@@H](O)CSCC 85061745 572648103 /nfs/dbraw/zinc/64/81/03/572648103.db2.gz QXLDLZUPGVHPIT-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN C=C[C@@H](C)N[C@H](C)C(C)(F)F 307661916 572648210 /nfs/dbraw/zinc/64/82/10/572648210.db2.gz VNUOFKBMCKQMND-RNFRBKRXSA-N 0 0 163.211 2.194 10 30 AEEERN CCOC(=O)c1cccnc1N=[N+]=[N-] 87667485 572648216 /nfs/dbraw/zinc/64/82/16/572648216.db2.gz AONHIAKWGZPPJD-UHFFFAOYSA-N 0 0 192.178 2.200 10 30 AEEERN C=C1CCC[C@](O)(CCCC)[C@@H]1O 306400996 572648326 /nfs/dbraw/zinc/64/83/26/572648326.db2.gz PAAWFERJKCNHOU-GHMZBOCLSA-N 0 0 184.279 2.009 10 30 AEEERN C#CCCSC[C@@H](F)CC 306473869 572648344 /nfs/dbraw/zinc/64/83/44/572648344.db2.gz JXYITRMIOGNVOC-QMMMGPOBSA-N 0 0 160.257 2.491 10 30 AEEERN C=C[C@H](C)N[C@H](C)C(C)(F)F 307661915 572649259 /nfs/dbraw/zinc/64/92/59/572649259.db2.gz VNUOFKBMCKQMND-NKWVEPMBSA-N 0 0 163.211 2.194 10 30 AEEERN C=C(CC)C[C@H](O)c1ccccn1 85061176 572648478 /nfs/dbraw/zinc/64/84/78/572648478.db2.gz JFYVPUMCWMSTMD-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN C=CC(=O)/C=C\c1ccc(N)cc1 308084864 572648480 /nfs/dbraw/zinc/64/84/80/572648480.db2.gz WYEKCTUNASGZOI-YVMONPNESA-N 0 0 173.215 2.037 10 30 AEEERN C=C(CC)C[C@@H](O)[C@@H]1CCCOC1 85061840 572648532 /nfs/dbraw/zinc/64/85/32/572648532.db2.gz LIICFWUMTHGVCF-GHMZBOCLSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(CC)C[C@@H](O)[C@H](C)OCC 85061696 572648556 /nfs/dbraw/zinc/64/85/56/572648556.db2.gz QFBIXUUDCIAZSN-VHSXEESVSA-N 0 0 172.268 2.129 10 30 AEEERN C=C(CC)C[C@@H](O)c1ccccn1 85061179 572648566 /nfs/dbraw/zinc/64/85/66/572648566.db2.gz JFYVPUMCWMSTMD-LLVKDONJSA-N 0 0 177.247 2.471 10 30 AEEERN C=C(CC)C[C@H](O)CCCOC 85061738 572648575 /nfs/dbraw/zinc/64/85/75/572648575.db2.gz YADTUKPNTQDFAG-SNVBAGLBSA-N 0 0 172.268 2.130 10 30 AEEERN C=C[C@H](O)[C@@H](C)/C=C/C(C)C 307648786 572648608 /nfs/dbraw/zinc/64/86/08/572648608.db2.gz FGNIVPVHLZQHKN-CAFLDADYSA-N 0 0 154.253 2.382 10 30 AEEERN CC(=O)c1ccc(C)cc1OCC#N 70159249 572648666 /nfs/dbraw/zinc/64/86/66/572648666.db2.gz QOZLZZWVYYHJLE-UHFFFAOYSA-N 0 0 189.214 2.100 10 30 AEEERN C=C(CC)C[C@H](O)C[C@H]1CCCO1 85061235 572648670 /nfs/dbraw/zinc/64/86/70/572648670.db2.gz UYBGTSPBEWRQQR-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN C=C(CC)C[C@@H](O)C[C@H]1CCCO1 85061238 572648678 /nfs/dbraw/zinc/64/86/78/572648678.db2.gz UYBGTSPBEWRQQR-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN C=C(CC)C[C@@H](O)c1ccncc1 85061191 572648685 /nfs/dbraw/zinc/64/86/85/572648685.db2.gz YGWHSKGXAYJDSS-LLVKDONJSA-N 0 0 177.247 2.471 10 30 AEEERN C=C(CC)C[C@@H](O)c1cccnc1 85061185 572648699 /nfs/dbraw/zinc/64/86/99/572648699.db2.gz UFXUYGFPFAWCQX-LLVKDONJSA-N 0 0 177.247 2.471 10 30 AEEERN C=C(C)[C@@H](O)c1cnc(C)cc1C 307663750 572648702 /nfs/dbraw/zinc/64/87/02/572648702.db2.gz JDKWRVZNRRYDGO-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN CCC[C@H](C#N)[C@@](C)(O)CCC 87650038 572648703 /nfs/dbraw/zinc/64/87/03/572648703.db2.gz DQJNVBOHRACARQ-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN C=C(C)[C@H](O)c1c(C)nn(CC)c1C 306456833 572648739 /nfs/dbraw/zinc/64/87/39/572648739.db2.gz WPTULDWZUVSGDE-NSHDSACASA-N 0 0 194.278 2.129 10 30 AEEERN C=CCC(C)(C)C(=O)OC1CC1 308085035 572648782 /nfs/dbraw/zinc/64/87/82/572648782.db2.gz MXHDGWADRFPTOS-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(CC)C[C@H](O)CSCC 85061743 572648836 /nfs/dbraw/zinc/64/88/36/572648836.db2.gz QXLDLZUPGVHPIT-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=C(CC)C[C@H](O)Cc1cccnc1 85061513 572648849 /nfs/dbraw/zinc/64/88/49/572648849.db2.gz WCSSBSRUAUPMPH-LBPRGKRZSA-N 0 0 191.274 2.341 10 30 AEEERN C=C[C@H](C)C(=O)C/C=C/C 306459066 572649033 /nfs/dbraw/zinc/64/90/33/572649033.db2.gz FUMSPQBWSDFJHI-JQTRYQTASA-N 0 0 138.210 2.344 10 30 AEEERN CCC[C@@H](C#N)[C@@](C)(O)CCC 87650037 572649048 /nfs/dbraw/zinc/64/90/48/572649048.db2.gz DQJNVBOHRACARQ-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN C=C(CC)C[C@@H](O)Cc1ccncc1 85061526 572649094 /nfs/dbraw/zinc/64/90/94/572649094.db2.gz JDCGMYVCVBXGNY-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=C(CC)C[C@H](O)C[C@@H]1CCCO1 85061231 572649108 /nfs/dbraw/zinc/64/91/08/572649108.db2.gz UYBGTSPBEWRQQR-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN C=CC/C=C/CC(C)=O 306475572 572649110 /nfs/dbraw/zinc/64/91/10/572649110.db2.gz SIECMPKHOOCKCM-AATRIKPKSA-N 0 0 124.183 2.098 10 30 AEEERN C=C(CC)C[C@H](O)COCCC 85061462 572649182 /nfs/dbraw/zinc/64/91/82/572649182.db2.gz UAAJVOPGIUGLIY-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN CC[C@H](CC#N)[NH2+]C[C@H]1CCCS1 87669014 572649304 /nfs/dbraw/zinc/64/93/04/572649304.db2.gz DKJRGBSHOIKWII-NXEZZACHSA-N 0 0 198.335 2.164 10 30 AEEERN C=C(CC)C[C@@H](O)C1CCOCC1 85061835 572649305 /nfs/dbraw/zinc/64/93/05/572649305.db2.gz COUNOJAUIBWZJR-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(CC)C[C@@H](O)Cc1ccccn1 85061261 572649315 /nfs/dbraw/zinc/64/93/15/572649315.db2.gz PSKVDBZLARBFJZ-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN CC[C@@H](CC#N)[NH2+]C[C@H]1CCCS1 87669013 572649332 /nfs/dbraw/zinc/64/93/32/572649332.db2.gz DKJRGBSHOIKWII-VHSXEESVSA-N 0 0 198.335 2.164 10 30 AEEERN C=C(C)CSC(C)(C)CO 306428369 572649358 /nfs/dbraw/zinc/64/93/58/572649358.db2.gz MGEGMCFGEDCNBB-UHFFFAOYSA-N 0 0 160.282 2.067 10 30 AEEERN C=C(CC)C[C@@H](O)[C@@H](C)OCC 85061689 572649392 /nfs/dbraw/zinc/64/93/92/572649392.db2.gz QFBIXUUDCIAZSN-NXEZZACHSA-N 0 0 172.268 2.129 10 30 AEEERN CC(C)(C)CCCOCC=O 307852111 572649394 /nfs/dbraw/zinc/64/93/94/572649394.db2.gz APZZZDBCSWAHCB-UHFFFAOYSA-N 0 0 158.241 2.028 10 30 AEEERN CCC[C@](C)(O)[C@@](C)(C#N)CC 87650003 572649471 /nfs/dbraw/zinc/64/94/71/572649471.db2.gz GTLPAPMADMNAPS-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C(C)(C)F 308085472 572649493 /nfs/dbraw/zinc/64/94/93/572649493.db2.gz NMVUBZOUNQYDBX-ZETCQYMHSA-N 0 0 174.215 2.242 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C(C)(C)F 308085471 572649511 /nfs/dbraw/zinc/64/95/11/572649511.db2.gz NMVUBZOUNQYDBX-SSDOTTSWSA-N 0 0 174.215 2.242 10 30 AEEERN CC(C)=CCC[C@](C)(O)[C@@H](C)C=O 238379754 572649517 /nfs/dbraw/zinc/64/95/17/572649517.db2.gz MZAYZPFNOIWXSB-QWRGUYRKSA-N 0 0 184.279 2.319 10 30 AEEERN CCOC(=O)c1ccc(N=[N+]=[N-])nc1 87667415 572649538 /nfs/dbraw/zinc/64/95/38/572649538.db2.gz FSOCIEAXEUHHPG-UHFFFAOYSA-N 0 0 192.178 2.200 10 30 AEEERN O=C[C@H]1[C@H]2CCCCC=C[C@H]12 307856385 572649558 /nfs/dbraw/zinc/64/95/58/572649558.db2.gz HUIGZMDCIGSYIC-LPEHRKFASA-N 0 0 150.221 2.178 10 30 AEEERN C#C[C@H](O)[C@@H]1[C@H](C=C(C)C)C1(C)C 306420073 572649635 /nfs/dbraw/zinc/64/96/35/572649635.db2.gz YPXCMPJQGHIOLN-DCAQKATOSA-N 0 0 178.275 2.219 10 30 AEEERN C=CC[C@@]1(C)C(=O)CCCC[C@H]1O 306451658 572649695 /nfs/dbraw/zinc/64/96/95/572649695.db2.gz DNIPPZHKDNDBRG-MWLCHTKSSA-N 0 0 182.263 2.073 10 30 AEEERN C=C[C@@H]1C[C@H]([C@H](C)O)C1(C)C 306418342 572649707 /nfs/dbraw/zinc/64/97/07/572649707.db2.gz UZYSIKWEFUKRAZ-DJLDLDEBSA-N 0 0 154.253 2.216 10 30 AEEERN CCCOc1cncc(N=[N+]=[N-])n1 87667372 572649719 /nfs/dbraw/zinc/64/97/19/572649719.db2.gz VVHGXOIKNCQFRF-UHFFFAOYSA-N 0 0 179.183 2.207 10 30 AEEERN CCC[C@](C)(O)[C@](C)(C#N)CC 87650001 572649595 /nfs/dbraw/zinc/64/95/95/572649595.db2.gz GTLPAPMADMNAPS-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN CCCOc1cc(N=[N+]=[N-])ncn1 87667373 572649823 /nfs/dbraw/zinc/64/98/23/572649823.db2.gz SKQCRRBDLWCGGO-UHFFFAOYSA-N 0 0 179.183 2.207 10 30 AEEERN CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCS1 87669011 572649849 /nfs/dbraw/zinc/64/98/49/572649849.db2.gz DKJRGBSHOIKWII-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN CC#CC[C@H](O)c1cc(C)cc(N)c1 306416467 572649892 /nfs/dbraw/zinc/64/98/92/572649892.db2.gz WLYDIWPOSXCYEI-LBPRGKRZSA-N 0 0 189.258 2.024 10 30 AEEERN CCCCC[C@@](C)(O)[C@@H](C)C#N 87650074 572649972 /nfs/dbraw/zinc/64/99/72/572649972.db2.gz LEGSVSLWNOOGEC-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN C=CCc1cc(OC)ccc1CC#N 238379627 572649983 /nfs/dbraw/zinc/64/99/83/572649983.db2.gz WPVRMLDWQSFQKL-UHFFFAOYSA-N 0 0 187.242 2.490 10 30 AEEERN C=C1C[C@H]1C(=O)c1ccco1 221501589 572650091 /nfs/dbraw/zinc/65/00/91/572650091.db2.gz BABNKMFRFZETNN-SSDOTTSWSA-N 0 0 148.161 2.038 10 30 AEEERN N#Cc1ccc(-c2ccco2)c(N)c1 96601666 572650099 /nfs/dbraw/zinc/65/00/99/572650099.db2.gz RIYUKVSXRNDKNL-UHFFFAOYSA-N 0 0 184.198 2.400 10 30 AEEERN C=C1[C@H]2[C@@H](C[C@@H](C)[C@H]1O)C2(C)C 306456920 572650131 /nfs/dbraw/zinc/65/01/31/572650131.db2.gz XDBANEONCZXWIQ-SFKDOBOXSA-N 0 0 166.264 2.216 10 30 AEEERN C=C(C)Cn1ccc(=O)cc1Cl 306483768 572650173 /nfs/dbraw/zinc/65/01/73/572650173.db2.gz HGSCRINTWWKRTO-UHFFFAOYSA-N 0 0 183.638 2.078 10 30 AEEERN O=C[C@@H]1[C@@H]2C=CCCCC[C@H]12 307856382 572650231 /nfs/dbraw/zinc/65/02/31/572650231.db2.gz HUIGZMDCIGSYIC-KXUCPTDWSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1C[C@H](/C=C/C)O[C@@H](C[C@H](C)O)C1 307642518 572650352 /nfs/dbraw/zinc/65/03/52/572650352.db2.gz KASYXESNAWNWBR-QCLDYOLQSA-N 0 0 196.290 2.437 10 30 AEEERN C[Si](C)(C)C#C[C@]12C[C@H]1CC[C@@H]2O 306416686 572650503 /nfs/dbraw/zinc/65/05/03/572650503.db2.gz RSVZOUGCAKUNPA-VWYCJHECSA-N 0 0 194.350 2.028 10 30 AEEERN C[C@H](C#N)NCC1(C)CCCCC1 235184032 572650588 /nfs/dbraw/zinc/65/05/88/572650588.db2.gz XPSCAMPLXNHUFH-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN C#C[C@@H](O)C1CCC(C)(C)CC1 306488971 572650696 /nfs/dbraw/zinc/65/06/96/572650696.db2.gz LJKFCHHQVZJJQU-SNVBAGLBSA-N 0 0 166.264 2.197 10 30 AEEERN C=CCCCC[C@H](O)C/C=C/[C@@H](C)O 238380106 572650703 /nfs/dbraw/zinc/65/07/03/572650703.db2.gz QJADSFQAVWQFRV-LASXONHFSA-N 0 0 198.306 2.421 10 30 AEEERN CC1=CC(=O)C[C@H](C)[C@H]1C 196903416 572650726 /nfs/dbraw/zinc/65/07/26/572650726.db2.gz RTUHLEPGCKTNEM-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H]1Cc2c(F)cc(CC#N)cc2N1 713730975 572650735 /nfs/dbraw/zinc/65/07/35/572650735.db2.gz HTLRJCLXRLWLOJ-SSDOTTSWSA-N 0 0 190.221 2.248 10 30 AEEERN C=CCSc1nc(CC)ns1 307618522 572650789 /nfs/dbraw/zinc/65/07/89/572650789.db2.gz TYIGHAODADSITF-UHFFFAOYSA-N 0 0 186.305 2.379 10 30 AEEERN CC[C@H](C)[C@H](O)C#C[Si](C)(C)C 306453862 572650793 /nfs/dbraw/zinc/65/07/93/572650793.db2.gz KKZNTGMKANQPFE-VHSXEESVSA-N 0 0 184.355 2.274 10 30 AEEERN C=C[C@]1(C)C(=O)C[C@H]1/C=C\C 307856868 572650902 /nfs/dbraw/zinc/65/09/02/572650902.db2.gz FRMHSUBFWOMVDI-FNVHLECISA-N 0 0 150.221 2.344 10 30 AEEERN C#C[C@H](C)[C@H](O)[C@H](C)c1ccccc1 307657477 572651012 /nfs/dbraw/zinc/65/10/12/572651012.db2.gz AEMNKHIZPOHSCL-LOWVWBTDSA-N 0 0 188.270 2.420 10 30 AEEERN C#C[C@H](C)OC(=O)c1sccc1C 306445050 572651142 /nfs/dbraw/zinc/65/11/42/572651142.db2.gz SDINRRJGUCCHOV-QMMMGPOBSA-N 0 0 194.255 2.235 10 30 AEEERN CCC(C[C@@H](C)CC)=NNC 307860348 572661566 /nfs/dbraw/zinc/66/15/66/572661566.db2.gz GIRWFHPONAYVLE-QMMMGPOBSA-N 0 0 156.273 2.408 10 30 AEEERN C=CC[C@@]1(C)C(=O)CCCC[C@@H]1O 306451654 572651757 /nfs/dbraw/zinc/65/17/57/572651757.db2.gz DNIPPZHKDNDBRG-GXSJLCMTSA-N 0 0 182.263 2.073 10 30 AEEERN CCON=C[C@@H]1CC[C@H](C)C1 307856916 572651334 /nfs/dbraw/zinc/65/13/34/572651334.db2.gz CYZFIPPHHXFFSC-DTWKUNHWSA-N 0 0 155.241 2.445 10 30 AEEERN C=CCSc1ncc(C)cc1N 306450973 572651761 /nfs/dbraw/zinc/65/17/61/572651761.db2.gz RLRFQSJKMRBEDA-UHFFFAOYSA-N 0 0 180.276 2.250 10 30 AEEERN O=C1CC=CC#CCCCC1 307857526 572651764 /nfs/dbraw/zinc/65/17/64/572651764.db2.gz IUHMENQAQZRRDG-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN CCON=C[C@H]1CC[C@@H](C)C1 307856915 572651419 /nfs/dbraw/zinc/65/14/19/572651419.db2.gz CYZFIPPHHXFFSC-BDAKNGLRSA-N 0 0 155.241 2.445 10 30 AEEERN CC1=CC(=O)C[C@@H](C)[C@H]1C 196903402 572651473 /nfs/dbraw/zinc/65/14/73/572651473.db2.gz RTUHLEPGCKTNEM-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN CCON=C[C@H]1CC[C@H](C)C1 307856917 572651495 /nfs/dbraw/zinc/65/14/95/572651495.db2.gz CYZFIPPHHXFFSC-IUCAKERBSA-N 0 0 155.241 2.445 10 30 AEEERN O/N=C/c1cc2ccccc2o1 70168911 572651674 /nfs/dbraw/zinc/65/16/74/572651674.db2.gz BSEWYQFWHULUAS-UXBLZVDNSA-N 0 0 161.160 2.241 10 30 AEEERN C=C[C@@]1(C)CCCC[C@@H]1CO 306418799 572651861 /nfs/dbraw/zinc/65/18/61/572651861.db2.gz UNUFFBYBGOKYSX-ZJUUUORDSA-N 0 0 154.253 2.361 10 30 AEEERN CC#CCC(=O)c1cc(C)cc(N)c1 306411560 572651886 /nfs/dbraw/zinc/65/18/86/572651886.db2.gz OZUNTBBFIHJGFS-UHFFFAOYSA-N 0 0 187.242 2.173 10 30 AEEERN C=C(C)[C@]1(F)CC[C@]1(C)CCO 306410812 572652010 /nfs/dbraw/zinc/65/20/10/572652010.db2.gz JOCISYIRPXGSCB-NXEZZACHSA-N 0 0 172.243 2.453 10 30 AEEERN CC(C)(C)C1=COC(C)(C)C1=O 196910196 572652282 /nfs/dbraw/zinc/65/22/82/572652282.db2.gz YCGOUAGHQWZGKI-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)[C@@H]1C=C[C@@H](C)[C@@H](CO)C1 222473786 572652290 /nfs/dbraw/zinc/65/22/90/572652290.db2.gz DLEIIJGWACIAIU-GMTAPVOTSA-N 0 0 166.264 2.383 10 30 AEEERN C=C1CCC[C@@H](O)[C@@H]1C(C)C 306430764 572652508 /nfs/dbraw/zinc/65/25/08/572652508.db2.gz GKJOISDJSXXEFB-NXEZZACHSA-N 0 0 154.253 2.360 10 30 AEEERN C=CCCC[C@H](C)NOCC 307856908 572652633 /nfs/dbraw/zinc/65/26/33/572652633.db2.gz CYJOHKYVCFQOTN-VIFPVBQESA-N 0 0 157.257 2.272 10 30 AEEERN CC[C@](C)(O)C#Cc1ccsc1 306455056 572652749 /nfs/dbraw/zinc/65/27/49/572652749.db2.gz ACDXRHVMOVKKOV-JTQLQIEISA-N 0 0 180.272 2.261 10 30 AEEERN CC1=CC(=O)C[C@H](C)[C@@H]1C 196903430 572652785 /nfs/dbraw/zinc/65/27/85/572652785.db2.gz RTUHLEPGCKTNEM-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCN(C)CC(=C)Br 306482102 572652813 /nfs/dbraw/zinc/65/28/13/572652813.db2.gz GDOIUKLOAXTHBE-UHFFFAOYSA-N 0 0 190.084 2.013 10 30 AEEERN C=C(C)C[C@H](NN)[C@H]1CC[C@@H](C)C1 235283200 572652840 /nfs/dbraw/zinc/65/28/40/572652840.db2.gz POXDAHDZWMCBHD-VWYCJHECSA-N 0 0 182.311 2.221 10 30 AEEERN CCON=CC1(C(F)F)CC1 307856929 572652898 /nfs/dbraw/zinc/65/28/98/572652898.db2.gz DAFRZELZKZZWRA-UHFFFAOYSA-N 0 0 163.167 2.054 10 30 AEEERN C=C(C)[C@@H](O)c1c(C)nn(CC)c1C 306456832 572652955 /nfs/dbraw/zinc/65/29/55/572652955.db2.gz WPTULDWZUVSGDE-LLVKDONJSA-N 0 0 194.278 2.129 10 30 AEEERN C=C[C@@H]1CC/C(=C/Cl)C(=O)O1 306431350 572652970 /nfs/dbraw/zinc/65/29/70/572652970.db2.gz MXTNDVOXLZJOQI-KXTMECRCSA-N 0 0 172.611 2.001 10 30 AEEERN C=C[C@@H](C)Nc1nncc2ccoc12 306440123 572652975 /nfs/dbraw/zinc/65/29/75/572652975.db2.gz KDUPQGUSBRUBPM-SSDOTTSWSA-N 0 0 189.218 2.209 10 30 AEEERN C=CC[C@@H](O)c1cc(OC)ccc1O 238379966 572653017 /nfs/dbraw/zinc/65/30/17/572653017.db2.gz CNWSMELOTFPTMS-SNVBAGLBSA-N 0 0 194.230 2.010 10 30 AEEERN C=C1CC[C@@H](O)[C@@H](C(=C)C)C1 306431771 572653089 /nfs/dbraw/zinc/65/30/89/572653089.db2.gz UWWLNIXHJSJJFR-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN CC1=CC(=O)C[C@@H](C)[C@@H]1C 196903422 572653100 /nfs/dbraw/zinc/65/31/00/572653100.db2.gz RTUHLEPGCKTNEM-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C#CCSC[C@H]1CCO[C@H](C)C1 306454167 572653110 /nfs/dbraw/zinc/65/31/10/572653110.db2.gz ZCRIFIZQPFOIBH-ZJUUUORDSA-N 0 0 184.304 2.168 10 30 AEEERN CCON=C[C@@H]1CC[C@@H](C)C1 307856918 572653218 /nfs/dbraw/zinc/65/32/18/572653218.db2.gz CYZFIPPHHXFFSC-RKDXNWHRSA-N 0 0 155.241 2.445 10 30 AEEERN C=C(C)[C@@H]1C=C[C@H](C)[C@@H](CO)C1 222473860 572653230 /nfs/dbraw/zinc/65/32/30/572653230.db2.gz DLEIIJGWACIAIU-HBNTYKKESA-N 0 0 166.264 2.383 10 30 AEEERN C=C[C@]1(C)C(=O)C[C@@H]1/C=C\C 307856870 572653386 /nfs/dbraw/zinc/65/33/86/572653386.db2.gz FRMHSUBFWOMVDI-UEHGYNDMSA-N 0 0 150.221 2.344 10 30 AEEERN C=C(Cl)CSc1nc(C)no1 306447754 572653486 /nfs/dbraw/zinc/65/34/86/572653486.db2.gz UUDSKZWBKZXYKN-UHFFFAOYSA-N 0 0 190.655 2.223 10 30 AEEERN CC(C)CCC(=NN)C1CC1 307857401 572653514 /nfs/dbraw/zinc/65/35/14/572653514.db2.gz FEXIEUVJGLURRX-UHFFFAOYSA-N 0 0 154.257 2.147 10 30 AEEERN C=CCS[C@@H](C)[C@H](C)C(=O)OC 166879267 572653606 /nfs/dbraw/zinc/65/36/06/572653606.db2.gz NULVPYNVNOQMCB-YUMQZZPRSA-N 0 0 188.292 2.103 10 30 AEEERN C[C@@H](C#N)Oc1ccc(Cl)cc1O 196902168 572653632 /nfs/dbraw/zinc/65/36/32/572653632.db2.gz OOGCHGNYNAQUGC-LURJTMIESA-N 0 0 197.621 2.336 10 30 AEEERN C[C@H]1Cc2c(F)cc(CC#N)cc2N1 713730978 572653642 /nfs/dbraw/zinc/65/36/42/572653642.db2.gz HTLRJCLXRLWLOJ-ZETCQYMHSA-N 0 0 190.221 2.248 10 30 AEEERN C=C1C=C(C)[C@]2(C)[C@H](C)C(=O)N[C@]12C 307674865 572653670 /nfs/dbraw/zinc/65/36/70/572653670.db2.gz DUTVXPNQNBUPSG-YUSALJHKSA-N 0 0 191.274 2.033 10 30 AEEERN C=C1[C@@H]([C@H](O)C(C)(C)C)[C@H]1C 307615914 572653677 /nfs/dbraw/zinc/65/36/77/572653677.db2.gz NHYAJAMBXZBQOQ-YIZRAAEISA-N 0 0 154.253 2.216 10 30 AEEERN C=C[C@]1(C(C)C)CC[C@@H](O)C1 306436456 572653692 /nfs/dbraw/zinc/65/36/92/572653692.db2.gz DFJUTSUGNYZEFP-ZJUUUORDSA-N 0 0 154.253 2.360 10 30 AEEERN C=CCOC(=O)[C@H](C)C(C)C 307855259 572653728 /nfs/dbraw/zinc/65/37/28/572653728.db2.gz DAHRDTGNBRQALK-MRVPVSSYSA-N 0 0 156.225 2.008 10 30 AEEERN C[C@@H]([C@@H](C)C=O)C(C)(C)CC=O 238379882 572653780 /nfs/dbraw/zinc/65/37/80/572653780.db2.gz UFDUSFMSKFMYCC-IUCAKERBSA-N 0 0 170.252 2.073 10 30 AEEERN C=CCCC[C@@H](C)NOCC 307856907 572653798 /nfs/dbraw/zinc/65/37/98/572653798.db2.gz CYJOHKYVCFQOTN-SECBINFHSA-N 0 0 157.257 2.272 10 30 AEEERN C=C(C)CC(=O)[C@H]1CCOC[C@H]1C 301038500 572654126 /nfs/dbraw/zinc/65/41/26/572654126.db2.gz VFGLHMBHJBKVKV-ZJUUUORDSA-N 0 0 182.263 2.194 10 30 AEEERN CC[C@H](C)CON=CC1CC1 307861801 572654134 /nfs/dbraw/zinc/65/41/34/572654134.db2.gz HJTNKMTVZBNHNN-QMMMGPOBSA-N 0 0 155.241 2.445 10 30 AEEERN C=C1[C@@H]2CCC[C@@H]3CC(=O)[C@@H]1[C@@H]32 307637961 572654242 /nfs/dbraw/zinc/65/42/42/572654242.db2.gz ZFKMIMCWMUPGGI-MKHNBGRSSA-N 0 0 162.232 2.178 10 30 AEEERN C=CCC[C@@H](C)/C=C/CO 306476008 572654480 /nfs/dbraw/zinc/65/44/80/572654480.db2.gz UPNVTBOZCQTMMC-VPIOIWJLSA-N 0 0 140.226 2.137 10 30 AEEERN C#C[C@H](/C=C/C)[C@H]1CCCC1=O 306400408 572654512 /nfs/dbraw/zinc/65/45/12/572654512.db2.gz OMMVECZFLYVHMQ-KJMWJQJQSA-N 0 0 162.232 2.181 10 30 AEEERN CC#C[C@H](O)c1ccc(Cl)s1 307621086 572654600 /nfs/dbraw/zinc/65/46/00/572654600.db2.gz JLUORKLFNYTVOX-LURJTMIESA-N 0 0 186.663 2.458 10 30 AEEERN CC#C[C@@H](O)c1ccccc1CC 307611191 572654653 /nfs/dbraw/zinc/65/46/53/572654653.db2.gz GBOJWSVOAGPAMP-GFCCVEGCSA-N 0 0 174.243 2.306 10 30 AEEERN COC[C@@H](c1ccccc1)[C@H](C)C=O 238382277 572654760 /nfs/dbraw/zinc/65/47/60/572654760.db2.gz XJLACXWXUGWFIF-ZYHUDNBSSA-N 0 0 192.258 2.252 10 30 AEEERN C=CCOCCCSCC=C 307861796 572654821 /nfs/dbraw/zinc/65/48/21/572654821.db2.gz HJGRNPJTFCQQES-UHFFFAOYSA-N 0 0 172.293 2.498 10 30 AEEERN C=CCOc1ccc([C@@H](C)CO)cc1 238382403 572654961 /nfs/dbraw/zinc/65/49/61/572654961.db2.gz PBIYKKMEJWCOCN-JTQLQIEISA-N 0 0 192.258 2.347 10 30 AEEERN C=CCCn1c(Cl)cccc1=O 306439636 572655093 /nfs/dbraw/zinc/65/50/93/572655093.db2.gz AERREXRSXFAFIA-UHFFFAOYSA-N 0 0 183.638 2.078 10 30 AEEERN C=C[C@H](CC)[C@H](C)[C@H](C)O 306419908 572655399 /nfs/dbraw/zinc/65/53/99/572655399.db2.gz YBIHQIBBWHUNKV-HRDYMLBCSA-N 0 0 142.242 2.216 10 30 AEEERN C=C(C[C@H](O)C=CC)N=[N+]=[N-] 307654505 572655402 /nfs/dbraw/zinc/65/54/02/572655402.db2.gz MPNKSFKSBXKJMD-KGGZQZJCSA-N 0 0 153.185 2.138 10 30 AEEERN C=C1CCC[C@H](O)[C@H]1C(C)C 306430765 572655690 /nfs/dbraw/zinc/65/56/90/572655690.db2.gz GKJOISDJSXXEFB-UWVGGRQHSA-N 0 0 154.253 2.360 10 30 AEEERN C#CCCC(=O)[C@H]1C[C@@H]1CC 307654638 572655997 /nfs/dbraw/zinc/65/59/97/572655997.db2.gz MWJGYXYWQUHKST-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN C=C(C)[C@@H]1[C@@H](C)C[C@@H](O)[C@@H]1C 307607154 572655702 /nfs/dbraw/zinc/65/57/02/572655702.db2.gz BHJBPYIHKGEUBR-AXTSPUMRSA-N 0 0 154.253 2.216 10 30 AEEERN C=C1C[C@@H]1C(=O)c1ccco1 221501544 572655929 /nfs/dbraw/zinc/65/59/29/572655929.db2.gz BABNKMFRFZETNN-ZETCQYMHSA-N 0 0 148.161 2.038 10 30 AEEERN C#C/C(C)=C/C[C@H]1CCCC1=O 306475348 572656024 /nfs/dbraw/zinc/65/60/24/572656024.db2.gz XLPVXLSEPUDHHZ-TTZKWOQHSA-N 0 0 162.232 2.325 10 30 AEEERN C=CCCCC(=O)OC1CC1 307857655 572656130 /nfs/dbraw/zinc/65/61/30/572656130.db2.gz DCDNYHWOXYEMLA-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C=CCNN=CCCCCC 307861125 572656256 /nfs/dbraw/zinc/65/62/56/572656256.db2.gz HCEYDAVKTZGJHI-UHFFFAOYSA-N 0 0 154.257 2.328 10 30 AEEERN CCCc1ccc([C@@](C)(O)C=O)cc1 85074043 572656398 /nfs/dbraw/zinc/65/63/98/572656398.db2.gz PJSVBNGGURFKQS-LBPRGKRZSA-N 0 0 192.258 2.046 10 30 AEEERN C=C1CC[C@H](O)[C@H](C(=C)C)C1 306431772 572656446 /nfs/dbraw/zinc/65/64/46/572656446.db2.gz UWWLNIXHJSJJFR-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C#CCCSC[C@H](F)CC 306473868 572656452 /nfs/dbraw/zinc/65/64/52/572656452.db2.gz JXYITRMIOGNVOC-MRVPVSSYSA-N 0 0 160.257 2.491 10 30 AEEERN CCCc1ccc([C@](C)(O)C=O)cc1 85074041 572656468 /nfs/dbraw/zinc/65/64/68/572656468.db2.gz PJSVBNGGURFKQS-GFCCVEGCSA-N 0 0 192.258 2.046 10 30 AEEERN COC[C@@H](c1ccccc1)[C@@H](C)C=O 238382199 572656483 /nfs/dbraw/zinc/65/64/83/572656483.db2.gz XJLACXWXUGWFIF-CMPLNLGQSA-N 0 0 192.258 2.252 10 30 AEEERN C=CCCc1ccc([C@@H](C)CO)o1 238382293 572656555 /nfs/dbraw/zinc/65/65/55/572656555.db2.gz LOKOIJGZDUSMDL-VIFPVBQESA-N 0 0 180.247 2.494 10 30 AEEERN C#Cc1nnc(-c2ccoc2C)s1 306488595 572657595 /nfs/dbraw/zinc/65/75/95/572657595.db2.gz KXALAIOEJHWIJN-UHFFFAOYSA-N 0 0 190.227 2.088 10 30 AEEERN C#CCC[C@H]1CCCC[C@]1(C#C)CO 307626310 572656782 /nfs/dbraw/zinc/65/67/82/572656782.db2.gz UJTNIFIRLFZBAM-QWHCGFSZSA-N 0 0 190.286 2.202 10 30 AEEERN C=CCS[C@@H]1CCC[C@@]1(C)O 306435197 572656873 /nfs/dbraw/zinc/65/68/73/572656873.db2.gz BBDTZGHCBMDCAV-RKDXNWHRSA-N 0 0 172.293 2.209 10 30 AEEERN CCC#CC[C@@H]1CCCC[C@@H]1O 306425719 572657035 /nfs/dbraw/zinc/65/70/35/572657035.db2.gz HNMOOHJHJCGEGN-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN C=C1CCCC[C@@H]2CCC(=O)[C@]12CO 307670305 572657409 /nfs/dbraw/zinc/65/74/09/572657409.db2.gz UODIMFLQNZKCPI-ZYHUDNBSSA-N 0 0 194.274 2.074 10 30 AEEERN C=C[C@@H](O)c1cccc(F)c1C 307681865 572657644 /nfs/dbraw/zinc/65/76/44/572657644.db2.gz ZAPMLSHNBDFUCB-SNVBAGLBSA-N 0 0 166.195 2.354 10 30 AEEERN C#CCC(=O)C1(CCC)CC1 307640737 572657760 /nfs/dbraw/zinc/65/77/60/572657760.db2.gz HGLFMZXKVHAJAD-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CCC[C@H]1C[C@](C#N)(OCC)CCO1 85090753 572657762 /nfs/dbraw/zinc/65/77/62/572657762.db2.gz QPHXCGCYKSGZCX-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN C#CCC(O)(C1CCC1)C1CCC1 306418289 572657899 /nfs/dbraw/zinc/65/78/99/572657899.db2.gz UXBULXAHKMUJOH-UHFFFAOYSA-N 0 0 178.275 2.341 10 30 AEEERN C#CC[C@H](O)c1cc(C)cs1 306414575 572657939 /nfs/dbraw/zinc/65/79/39/572657939.db2.gz ORZRIEFKMXPTOF-QMMMGPOBSA-N 0 0 166.245 2.113 10 30 AEEERN CCCC[C@@](C#N)(CC)OC 85090851 572657969 /nfs/dbraw/zinc/65/79/69/572657969.db2.gz HFKKFCWYMHFBFB-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN C=CCSc1ccnc(NC)c1 306497788 572657997 /nfs/dbraw/zinc/65/79/97/572657997.db2.gz GTLURMGMBJPUPO-UHFFFAOYSA-N 0 0 180.276 2.401 10 30 AEEERN C=C(C)C(=O)C(C)(C)Cl 196920177 572658176 /nfs/dbraw/zinc/65/81/76/572658176.db2.gz BQICNPXWHCGCAX-UHFFFAOYSA-N 0 0 146.617 2.149 10 30 AEEERN C=CCC[C@H](O)[C@]1(C)C[C@@H]1F 307638643 572658088 /nfs/dbraw/zinc/65/80/88/572658088.db2.gz AMXJNPCAOHVJAD-XHNCKOQMSA-N 0 0 158.216 2.062 10 30 AEEERN COC(=O)CCC1(C#N)CCCC1 308086422 572658122 /nfs/dbraw/zinc/65/81/22/572658122.db2.gz BRGHLYVRROBAAS-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN C=C1[C@H](C)[C@H]1[C@@H](O)C(C)(C)C 307615913 572658183 /nfs/dbraw/zinc/65/81/83/572658183.db2.gz NHYAJAMBXZBQOQ-XHNCKOQMSA-N 0 0 154.253 2.216 10 30 AEEERN C/C=C/[C@@H](C)[C@@H](O)C#C[Si](C)(C)C 306488502 572658308 /nfs/dbraw/zinc/65/83/08/572658308.db2.gz VGIHDEVKDNRKPO-JNQBIPAQSA-N 0 0 196.366 2.440 10 30 AEEERN CCC[C@@H](C)[C@H](C#N)OCC 85090518 572658403 /nfs/dbraw/zinc/65/84/03/572658403.db2.gz IPFXIHPCPGRRQS-BDAKNGLRSA-N 0 0 155.241 2.351 10 30 AEEERN C=CCCC(C)(C)OC(C)=O 307858577 572658414 /nfs/dbraw/zinc/65/84/14/572658414.db2.gz FRHYCKOFJFSZHO-UHFFFAOYSA-N 0 0 156.225 2.294 10 30 AEEERN C=C(C)CSCc1cnoc1 307642181 572658573 /nfs/dbraw/zinc/65/85/73/572658573.db2.gz LEPPXHZLXQBSIO-UHFFFAOYSA-N 0 0 169.249 2.484 10 30 AEEERN COc1cnc(C(C)(C)C)cc1C#N 116086312 572658596 /nfs/dbraw/zinc/65/85/96/572658596.db2.gz IHYCMGOGXCZZBK-UHFFFAOYSA-N 0 0 190.246 2.259 10 30 AEEERN C=C(C)[C@H](O)CSC(C)(C)C 307656868 572658667 /nfs/dbraw/zinc/65/86/67/572658667.db2.gz RANCKFOYPBCFPK-MRVPVSSYSA-N 0 0 174.309 2.455 10 30 AEEERN C=C1CC[C@@H]([C@]2(C)CO2)C[C@@H]1CCO 307688758 572658691 /nfs/dbraw/zinc/65/86/91/572658691.db2.gz MGTXZPIMKUMXEC-TUAOUCFPSA-N 0 0 196.290 2.130 10 30 AEEERN COCc1cccc([C@H](C#N)OC)c1 85091009 572658757 /nfs/dbraw/zinc/65/87/57/572658757.db2.gz XHMNDGIIWSKWAE-NSHDSACASA-N 0 0 191.230 2.044 10 30 AEEERN CCOc1cccc([C@H](C#N)OC)c1 85091094 572658809 /nfs/dbraw/zinc/65/88/09/572658809.db2.gz MBRZRAGQTNRWHW-NSHDSACASA-N 0 0 191.230 2.296 10 30 AEEERN CCCC[C@](C#N)(CC)OC 85090850 572658814 /nfs/dbraw/zinc/65/88/14/572658814.db2.gz HFKKFCWYMHFBFB-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN C#CC[C@H](O)[C@@H](C)C(C)(C)C 306435774 572658833 /nfs/dbraw/zinc/65/88/33/572658833.db2.gz BOTYYBYJVHBSSV-BDAKNGLRSA-N 0 0 154.253 2.053 10 30 AEEERN C=C[C@]1(C)CCCC[C@H]1CO 306418793 572658845 /nfs/dbraw/zinc/65/88/45/572658845.db2.gz UNUFFBYBGOKYSX-VHSXEESVSA-N 0 0 154.253 2.361 10 30 AEEERN CCCCCC[C@@H](C#N)OC 85090834 572658857 /nfs/dbraw/zinc/65/88/57/572658857.db2.gz UCXXZTVVWIBRDV-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN CCCCC[C@H](C#N)OCC 85090661 572658865 /nfs/dbraw/zinc/65/88/65/572658865.db2.gz HEJLCJBBINMPDZ-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN CC(C)=CCC[C@@](C)(O)[C@@H](C)C=O 238381612 572658883 /nfs/dbraw/zinc/65/88/83/572658883.db2.gz MZAYZPFNOIWXSB-WDEREUQCSA-N 0 0 184.279 2.319 10 30 AEEERN CCO[C@H](C#N)c1cccc(OC)c1 85090322 572658887 /nfs/dbraw/zinc/65/88/87/572658887.db2.gz MXWGTVWODRQPGM-LLVKDONJSA-N 0 0 191.230 2.296 10 30 AEEERN CO[C@]1(C)C(C)=CC[C@H]1CCC=O 238381458 572658925 /nfs/dbraw/zinc/65/89/25/572658925.db2.gz IBDRZVCQBXHRKB-GHMZBOCLSA-N 0 0 182.263 2.337 10 30 AEEERN COCc1cccc([C@@H](C#N)OC)c1 85091008 572658943 /nfs/dbraw/zinc/65/89/43/572658943.db2.gz XHMNDGIIWSKWAE-LLVKDONJSA-N 0 0 191.230 2.044 10 30 AEEERN N#C[C@@H](COCC1CC1)C(F)(F)F 236132977 572658978 /nfs/dbraw/zinc/65/89/78/572658978.db2.gz ALILSPQBYNPTBK-ZETCQYMHSA-N 0 0 193.168 2.115 10 30 AEEERN CCOc1ccccc1[C@@H](C#N)OC 85090812 572659025 /nfs/dbraw/zinc/65/90/25/572659025.db2.gz ZQOFTKYJUONZMZ-LLVKDONJSA-N 0 0 191.230 2.296 10 30 AEEERN CO[C@]1(C)C(C)=CC[C@@H]1CCC=O 238381193 572659036 /nfs/dbraw/zinc/65/90/36/572659036.db2.gz IBDRZVCQBXHRKB-WDEREUQCSA-N 0 0 182.263 2.337 10 30 AEEERN CCC[C@H](C)[C@H](C#N)OCC 85090519 572659177 /nfs/dbraw/zinc/65/91/77/572659177.db2.gz IPFXIHPCPGRRQS-IUCAKERBSA-N 0 0 155.241 2.351 10 30 AEEERN C=C(C)[C@]1(F)CC[C@@]1(C)CCO 306410814 572659260 /nfs/dbraw/zinc/65/92/60/572659260.db2.gz JOCISYIRPXGSCB-VHSXEESVSA-N 0 0 172.243 2.453 10 30 AEEERN C=C(C)CCOC(=O)/C=C\C 307859332 572659594 /nfs/dbraw/zinc/65/95/94/572659594.db2.gz FWSYTACHARBRLD-PLNGDYQASA-N 0 0 154.209 2.072 10 30 AEEERN CCC[C@@H](C)[C@@H](C#N)OCC 85090516 572659316 /nfs/dbraw/zinc/65/93/16/572659316.db2.gz IPFXIHPCPGRRQS-RKDXNWHRSA-N 0 0 155.241 2.351 10 30 AEEERN CCO[C@H](C#N)Cc1ccccc1 85090564 572659318 /nfs/dbraw/zinc/65/93/18/572659318.db2.gz ZZSLRIMFWFWYQT-NSHDSACASA-N 0 0 175.231 2.158 10 30 AEEERN CC/C=C/C=C\[C@@H]1C[C@H]1C=O 307858916 572659344 /nfs/dbraw/zinc/65/93/44/572659344.db2.gz GVUBFZQUXOQYAR-RMLJKSOSSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@]1(CO)C[C@H]1C#Cc1ccccc1 306409346 572659350 /nfs/dbraw/zinc/65/93/50/572659350.db2.gz IQAKJVMAUXXLLQ-CHWSQXEVSA-N 0 0 186.254 2.057 10 30 AEEERN COCc1ccc([C@@H](C#N)OC)cc1 85091000 572659449 /nfs/dbraw/zinc/65/94/49/572659449.db2.gz RMYIKMZHZOEWLA-LLVKDONJSA-N 0 0 191.230 2.044 10 30 AEEERN C=C(C)CN(CC)C(F)(F)F 307626660 572659602 /nfs/dbraw/zinc/65/96/02/572659602.db2.gz QQDMFUWBTMRYNG-UHFFFAOYSA-N 0 0 167.174 2.404 10 30 AEEERN C=C1CCC[C@@H](O)[C@H]1C(C)C 306430767 572659743 /nfs/dbraw/zinc/65/97/43/572659743.db2.gz GKJOISDJSXXEFB-ZJUUUORDSA-N 0 0 154.253 2.360 10 30 AEEERN CCO[C@H](C#N)c1ccc(OC)cc1 85090446 572659785 /nfs/dbraw/zinc/65/97/85/572659785.db2.gz WJAGKXRTTPDDRD-LLVKDONJSA-N 0 0 191.230 2.296 10 30 AEEERN COCc1ccc([C@H](C#N)OC)cc1 85091001 572659796 /nfs/dbraw/zinc/65/97/96/572659796.db2.gz RMYIKMZHZOEWLA-NSHDSACASA-N 0 0 191.230 2.044 10 30 AEEERN C=C1C=C(C)[C@]2(C)[C@@H](C)C(=O)N[C@]12C 306402403 572659830 /nfs/dbraw/zinc/65/98/30/572659830.db2.gz DUTVXPNQNBUPSG-MVWJERBFSA-N 0 0 191.274 2.033 10 30 AEEERN C=C(C(=O)/C=C\C)C(F)(F)F 307860333 572659876 /nfs/dbraw/zinc/65/98/76/572659876.db2.gz GHLDKWJFJPKULH-ARJAWSKDSA-N 0 0 164.126 2.250 10 30 AEEERN CCC(C[C@H](C)CC)=NNC 307860347 572659906 /nfs/dbraw/zinc/65/99/06/572659906.db2.gz GIRWFHPONAYVLE-MRVPVSSYSA-N 0 0 156.273 2.408 10 30 AEEERN N#C[C@H](COCC1CC1)C(F)(F)F 236133062 572659930 /nfs/dbraw/zinc/65/99/30/572659930.db2.gz ALILSPQBYNPTBK-SSDOTTSWSA-N 0 0 193.168 2.115 10 30 AEEERN CC#CCC[C@]1(O)C[C@H](C)[C@H]1C 306474787 572659939 /nfs/dbraw/zinc/65/99/39/572659939.db2.gz WLGNFCSWGOJCDF-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C[Si](C)(C)C#C[C@]12C[C@H]1CC[C@H]2O 306416684 572659988 /nfs/dbraw/zinc/65/99/88/572659988.db2.gz RSVZOUGCAKUNPA-MXWKQRLJSA-N 0 0 194.350 2.028 10 30 AEEERN CCC[C@H](C)[C@@H](C#N)OCC 85090517 572659968 /nfs/dbraw/zinc/65/99/68/572659968.db2.gz IPFXIHPCPGRRQS-DTWKUNHWSA-N 0 0 155.241 2.351 10 30 AEEERN CCC[C@H]1C[C@@](C#N)(OCC)CCO1 85090751 572659973 /nfs/dbraw/zinc/65/99/73/572659973.db2.gz QPHXCGCYKSGZCX-QWRGUYRKSA-N 0 0 197.278 2.264 10 30 AEEERN CO[C@@H](C#N)CCc1ccccc1 85091019 572659979 /nfs/dbraw/zinc/65/99/79/572659979.db2.gz ZAGXUSSBKORSCC-LLVKDONJSA-N 0 0 175.231 2.158 10 30 AEEERN CCO[C@@H](C#N)c1cccc(OC)c1 85090321 572660046 /nfs/dbraw/zinc/66/00/46/572660046.db2.gz MXWGTVWODRQPGM-NSHDSACASA-N 0 0 191.230 2.296 10 30 AEEERN CCCC(C#N)(CCC)OC 85090892 572660064 /nfs/dbraw/zinc/66/00/64/572660064.db2.gz ODSUIZPFUAPVTJ-UHFFFAOYSA-N 0 0 155.241 2.495 10 30 AEEERN CCO[C@](C)(C#N)CC(C)(C)OC 85090526 572660078 /nfs/dbraw/zinc/66/00/78/572660078.db2.gz BWMSLWMFUPYBPK-JTQLQIEISA-N 0 0 185.267 2.120 10 30 AEEERN C=CC[C@@H](O)CC1=CCCC1 307699377 572660120 /nfs/dbraw/zinc/66/01/20/572660120.db2.gz KCVIFVJGPHOYKD-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN CCOc1ccccc1[C@H](C#N)OC 85090813 572660133 /nfs/dbraw/zinc/66/01/33/572660133.db2.gz ZQOFTKYJUONZMZ-NSHDSACASA-N 0 0 191.230 2.296 10 30 AEEERN C=CCSC(F)F 306475621 572660173 /nfs/dbraw/zinc/66/01/73/572660173.db2.gz SXSATGIKTAQCPR-UHFFFAOYSA-N 0 0 124.155 2.128 10 30 AEEERN CCCCCC[C@H](C#N)OC 85090835 572660206 /nfs/dbraw/zinc/66/02/06/572660206.db2.gz UCXXZTVVWIBRDV-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN CC#CCCNc1cccc(CO)c1 307628686 572660222 /nfs/dbraw/zinc/66/02/22/572660222.db2.gz WRXVJCLTNNPARS-UHFFFAOYSA-N 0 0 189.258 2.004 10 30 AEEERN CCO[C@H](C#N)C(CC)CC 85090380 572660237 /nfs/dbraw/zinc/66/02/37/572660237.db2.gz QCEDJBJLSLHDPB-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN C=C1C[C@@H]2CCC[C@@H](O)[C@@H]2C1 307649298 572660356 /nfs/dbraw/zinc/66/03/56/572660356.db2.gz PPLGREKTZFJGCV-IVZWLZJFSA-N 0 0 152.237 2.114 10 30 AEEERN C=CCCOC[C@@H](C#N)C(F)(F)F 236133130 572660691 /nfs/dbraw/zinc/66/06/91/572660691.db2.gz ICCWLNZNRXWJOT-SSDOTTSWSA-N 0 0 193.168 2.281 10 30 AEEERN C=C[C@@H]1C[C@@]1(CO)c1ccccc1 306424789 572660695 /nfs/dbraw/zinc/66/06/95/572660695.db2.gz GKCKQMGUXSOJRM-PWSUYJOCSA-N 0 0 174.243 2.123 10 30 AEEERN CCOc1ccc([C@@H](C#N)OC)cc1 85091084 572660758 /nfs/dbraw/zinc/66/07/58/572660758.db2.gz JXKOTAMEJVIKLJ-LLVKDONJSA-N 0 0 191.230 2.296 10 30 AEEERN CCO[C@@H](C#N)C(CC)CC 85090381 572660767 /nfs/dbraw/zinc/66/07/67/572660767.db2.gz QCEDJBJLSLHDPB-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN C=C1C[C@@H](O)C[C@@H]1c1ccccc1 306444343 572660786 /nfs/dbraw/zinc/66/07/86/572660786.db2.gz RFZBSLHDNZZDJN-NEPJUHHUSA-N 0 0 174.243 2.481 10 30 AEEERN CCOc1cccc([C@@H](C#N)OC)c1 85091093 572660820 /nfs/dbraw/zinc/66/08/20/572660820.db2.gz MBRZRAGQTNRWHW-LLVKDONJSA-N 0 0 191.230 2.296 10 30 AEEERN C#C[C@@H](C)C[C@@H](O)C(C)(C)C 306468312 572660856 /nfs/dbraw/zinc/66/08/56/572660856.db2.gz MAHZKGDZJNFXNM-RKDXNWHRSA-N 0 0 154.253 2.053 10 30 AEEERN CCCCCN=Cc1c[nH]c(C)n1 308087370 572660869 /nfs/dbraw/zinc/66/08/69/572660869.db2.gz YDZSCPHMUGYYTK-XFFZJAGNSA-N 0 0 179.267 2.327 10 30 AEEERN CCC[C@@H]1C[C@](C#N)(OCC)CCO1 85090752 572660940 /nfs/dbraw/zinc/66/09/40/572660940.db2.gz QPHXCGCYKSGZCX-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN C=CC[C@]1(C)C=CC=C[C@H]1O 306421404 572661239 /nfs/dbraw/zinc/66/12/39/572661239.db2.gz HBHFYYJURWQOMP-NXEZZACHSA-N 0 0 150.221 2.056 10 30 AEEERN C=C1C[C@H](/C=C/C)O[C@@H](C[C@@H](C)O)C1 307642516 572661241 /nfs/dbraw/zinc/66/12/41/572661241.db2.gz KASYXESNAWNWBR-HCSCIRHASA-N 0 0 196.290 2.437 10 30 AEEERN C#C[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1O 307613043 572661256 /nfs/dbraw/zinc/66/12/56/572661256.db2.gz JDVNVEIXPATZPC-KXNHARMFSA-N 0 0 178.275 2.197 10 30 AEEERN C#C[C@H](O)C(C)(C)c1ccc(F)cc1 306409664 572661284 /nfs/dbraw/zinc/66/12/84/572661284.db2.gz PIFKOZZKZNVWON-NSHDSACASA-N 0 0 192.233 2.097 10 30 AEEERN CCO[C@@H](C#N)Cc1ccccc1 85090565 572661296 /nfs/dbraw/zinc/66/12/96/572661296.db2.gz ZZSLRIMFWFWYQT-LLVKDONJSA-N 0 0 175.231 2.158 10 30 AEEERN C=C[C@@]1(O)CC2CCC1CC2 307626951 572661343 /nfs/dbraw/zinc/66/13/43/572661343.db2.gz LCCMCMIRZHNVPY-UDNWOFFPSA-N 0 0 152.237 2.114 10 30 AEEERN C=CCCOC[C@H](C#N)C(F)(F)F 236133082 572661373 /nfs/dbraw/zinc/66/13/73/572661373.db2.gz ICCWLNZNRXWJOT-ZETCQYMHSA-N 0 0 193.168 2.281 10 30 AEEERN C=C[C@@]1(C(C)C)CC[C@@H](O)C1 306436450 572661434 /nfs/dbraw/zinc/66/14/34/572661434.db2.gz DFJUTSUGNYZEFP-NXEZZACHSA-N 0 0 154.253 2.360 10 30 AEEERN C=CCc1ccc(OC)cc1CC#N 238382931 572661437 /nfs/dbraw/zinc/66/14/37/572661437.db2.gz QAVNOEDDVUWPEL-UHFFFAOYSA-N 0 0 187.242 2.490 10 30 AEEERN CCO[C@@H](C#N)c1ccccc1OC 85090366 572661460 /nfs/dbraw/zinc/66/14/60/572661460.db2.gz XBQXUKZOYMQPBB-NSHDSACASA-N 0 0 191.230 2.296 10 30 AEEERN CCCCC[C@@H](C#N)OCC 85090660 572661478 /nfs/dbraw/zinc/66/14/78/572661478.db2.gz HEJLCJBBINMPDZ-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN N#C[C@H](COC1CCC1)C(F)(F)F 236132976 572661662 /nfs/dbraw/zinc/66/16/62/572661662.db2.gz NMTLWZBQAUYNIT-ZCFIWIBFSA-N 0 0 193.168 2.258 10 30 AEEERN C=C[C@H](C)Oc1cccc(OC)c1O 238385814 572661710 /nfs/dbraw/zinc/66/17/10/572661710.db2.gz GZGXELQCDWMFHY-QMMMGPOBSA-N 0 0 194.230 2.354 10 30 AEEERN C#C[C@H]([C@H](O)CC)C(C)(C)C 306499499 572661868 /nfs/dbraw/zinc/66/18/68/572661868.db2.gz WCVXAQCSMRUNOC-RKDXNWHRSA-N 0 0 154.253 2.053 10 30 AEEERN C=C1CC[C@@H](O)C(C)(C)C1=C 306471181 572661909 /nfs/dbraw/zinc/66/19/09/572661909.db2.gz YYSASXCIQMQQBO-SECBINFHSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@H](O)CCCCF 306484499 572661966 /nfs/dbraw/zinc/66/19/66/572661966.db2.gz SAZXWXHYKGEDGI-QMMMGPOBSA-N 0 0 146.205 2.063 10 30 AEEERN C#CCCCC(=O)C(C)(F)F 307672145 572662080 /nfs/dbraw/zinc/66/20/80/572662080.db2.gz WDJUTSHNKUQRTC-UHFFFAOYSA-N 0 0 160.163 2.014 10 30 AEEERN C#C[C@@]1(C)CC[C@@H](CO)C1(C)C 307676938 572662193 /nfs/dbraw/zinc/66/21/93/572662193.db2.gz IICBWJOLGHTQDR-ONGXEEELSA-N 0 0 166.264 2.054 10 30 AEEERN C/C=C1/C(=O)C[C@@H]2CCC[C@H]12 307863553 572662305 /nfs/dbraw/zinc/66/23/05/572662305.db2.gz OOKOBJNIAYNUBG-WHZSQGQPSA-N 0 0 150.221 2.322 10 30 AEEERN CCC(=NNC1CC1)C(C)C 307863502 572662385 /nfs/dbraw/zinc/66/23/85/572662385.db2.gz IDDDODYQBUNMOG-UHFFFAOYSA-N 0 0 154.257 2.160 10 30 AEEERN C=CC[C@H](O)[C@H]1CCCSC1 306466274 572662663 /nfs/dbraw/zinc/66/26/63/572662663.db2.gz OZLPLYKGHXWVNO-IUCAKERBSA-N 0 0 172.293 2.067 10 30 AEEERN C=C(C)CN[C@@H](C)C(F)(F)F 307628480 572662709 /nfs/dbraw/zinc/66/27/09/572662709.db2.gz KIANLPZGPXSZSK-LURJTMIESA-N 0 0 167.174 2.103 10 30 AEEERN C=CCC/C=C/CCCC(N)=O 307862563 572662782 /nfs/dbraw/zinc/66/27/82/572662782.db2.gz AFHYUUUOJRPKLE-AATRIKPKSA-N 0 0 167.252 2.164 10 30 AEEERN C=C(C)[C@@H](NCC)C(C)(F)F 307645625 572662958 /nfs/dbraw/zinc/66/29/58/572662958.db2.gz ZQXXHNQLVJUHFO-SSDOTTSWSA-N 0 0 163.211 2.196 10 30 AEEERN C#CCNc1cc(C)cc(OC)c1C 306483892 572662998 /nfs/dbraw/zinc/66/29/98/572662998.db2.gz MXYRCPWKSLCELB-UHFFFAOYSA-N 0 0 189.258 2.357 10 30 AEEERN CC#C[C@@H](O)c1ccc(OC)c(C)c1 307694808 572663113 /nfs/dbraw/zinc/66/31/13/572663113.db2.gz XYLWJVGNOJBVPR-LLVKDONJSA-N 0 0 190.242 2.060 10 30 AEEERN C=CC[C@@H](O)CCCCF 306484498 572663115 /nfs/dbraw/zinc/66/31/15/572663115.db2.gz SAZXWXHYKGEDGI-MRVPVSSYSA-N 0 0 146.205 2.063 10 30 AEEERN C=C[C@H](O)[C@H](C)/C=C/C(C)C 307648792 572663151 /nfs/dbraw/zinc/66/31/51/572663151.db2.gz FGNIVPVHLZQHKN-YJOJJWFDSA-N 0 0 154.253 2.382 10 30 AEEERN CC1=C[C@H](C)C[C@@H]([C@@H](O)CC#N)C1 235291919 572663656 /nfs/dbraw/zinc/66/36/56/572663656.db2.gz SUGRFBCRPFYBFX-GDPRMGEGSA-N 0 0 179.263 2.253 10 30 AEEERN C=C[C@@H](C)Oc1cccc(OC)c1O 238385899 572663837 /nfs/dbraw/zinc/66/38/37/572663837.db2.gz GZGXELQCDWMFHY-MRVPVSSYSA-N 0 0 194.230 2.354 10 30 AEEERN C=C1[C@H]2[C@@H](O)C=CC[C@]23CCC[C@@H]13 306408356 572663843 /nfs/dbraw/zinc/66/38/43/572663843.db2.gz HXHRUHODBCAQDG-BJDJZHNGSA-N 0 0 176.259 2.280 10 30 AEEERN CC(=NN)[C@H](C)c1ccccc1 393329187 572663925 /nfs/dbraw/zinc/66/39/25/572663925.db2.gz YRCJYYZHQZFSJI-QMMMGPOBSA-N 0 0 162.236 2.125 10 30 AEEERN CCCCC#C[C@@H](C)[C@H](C)O 306437248 572663979 /nfs/dbraw/zinc/66/39/79/572663979.db2.gz FEAXCGUGKFHBJC-ZJUUUORDSA-N 0 0 154.253 2.197 10 30 AEEERN CC#CC[C@@H](O)c1ccc(C)c(C)n1 306410437 572664091 /nfs/dbraw/zinc/66/40/91/572664091.db2.gz LIASRVLNBGBFTM-GFCCVEGCSA-N 0 0 189.258 2.145 10 30 AEEERN CC#C[C@@H](O)c1ccc(C)s1 306403894 572664127 /nfs/dbraw/zinc/66/41/27/572664127.db2.gz GVNKGKIUHUBHMM-MRVPVSSYSA-N 0 0 166.245 2.113 10 30 AEEERN COc1ccc(CCC=O)c(Cl)c1 238384100 572664184 /nfs/dbraw/zinc/66/41/84/572664184.db2.gz MRYYHMNQSFHOSB-UHFFFAOYSA-N 0 0 198.649 2.480 10 30 AEEERN C=C1C=C(C)[C@@]2(C)[C@@H](C)C(=O)N[C@]12C 306402404 572664209 /nfs/dbraw/zinc/66/42/09/572664209.db2.gz DUTVXPNQNBUPSG-ZMLRMANQSA-N 0 0 191.274 2.033 10 30 AEEERN C=C[C@H](C)Nc1nncc2ccoc12 306440125 572664251 /nfs/dbraw/zinc/66/42/51/572664251.db2.gz KDUPQGUSBRUBPM-ZETCQYMHSA-N 0 0 189.218 2.209 10 30 AEEERN C[C@H](C=O)COC1CCCCC1 238384291 572664256 /nfs/dbraw/zinc/66/42/56/572664256.db2.gz WHLLZLZKZFXFOW-SECBINFHSA-N 0 0 170.252 2.171 10 30 AEEERN C=C[C@@]1(C)Cc2occ(C)c2C[C@H]1O 306441823 572664270 /nfs/dbraw/zinc/66/42/70/572664270.db2.gz OXLPIOWVJNCSJZ-NEPJUHHUSA-N 0 0 192.258 2.240 10 30 AEEERN C=C1C=C[C@H]([C@@H](C)CO)CC1 306441492 572664353 /nfs/dbraw/zinc/66/43/53/572664353.db2.gz SXXKHUCJLRMFIY-UWVGGRQHSA-N 0 0 152.237 2.137 10 30 AEEERN CC#C[C@@]1(O)CCc2ccc(C)cc21 306405303 572664479 /nfs/dbraw/zinc/66/44/79/572664479.db2.gz BXTNQXBUOOWFDD-CYBMUJFWSA-N 0 0 186.254 2.152 10 30 AEEERN C=C[C@@H](C)C(=O)C/C=C/C 306459068 572664488 /nfs/dbraw/zinc/66/44/88/572664488.db2.gz FUMSPQBWSDFJHI-YZCDNWJKSA-N 0 0 138.210 2.344 10 30 AEEERN C#CCCNc1sccc1C(C)=O 306496727 572664506 /nfs/dbraw/zinc/66/45/06/572664506.db2.gz FGPUWOJEJNHHLL-UHFFFAOYSA-N 0 0 193.271 2.386 10 30 AEEERN COC(C)(C)C#C[C@H](C)[C@@H](O)C(C)C 306469579 572664579 /nfs/dbraw/zinc/66/45/79/572664579.db2.gz POFAPQHWVAOVQH-QWRGUYRKSA-N 0 0 198.306 2.068 10 30 AEEERN C[C@H]1CC=C(C(=O)[C@H]2CCOC2)CC1 235291957 572664575 /nfs/dbraw/zinc/66/45/75/572664575.db2.gz LQPCFQBILLBGGL-ONGXEEELSA-N 0 0 194.274 2.338 10 30 AEEERN CC(=NN)[C@@H](C)c1ccccc1 393329184 572664731 /nfs/dbraw/zinc/66/47/31/572664731.db2.gz YRCJYYZHQZFSJI-MRVPVSSYSA-N 0 0 162.236 2.125 10 30 AEEERN CON=C(C)c1ccccc1C 393335336 572664870 /nfs/dbraw/zinc/66/48/70/572664870.db2.gz CATIDUWGAIDOJZ-UHFFFAOYSA-N 0 0 163.220 2.365 10 30 AEEERN C[C@H]1CC=C(C(=O)[C@@H]2CCOC2)CC1 235291770 572664899 /nfs/dbraw/zinc/66/48/99/572664899.db2.gz LQPCFQBILLBGGL-GXSJLCMTSA-N 0 0 194.274 2.338 10 30 AEEERN CCc1[nH]cc(C#N)c1SC 74337169 572664952 /nfs/dbraw/zinc/66/49/52/572664952.db2.gz RWVPJIKGKOPWBL-UHFFFAOYSA-N 0 0 166.249 2.171 10 30 AEEERN CC(C)[C@@H](CO)/N=C\c1ccccc1 116153209 572665000 /nfs/dbraw/zinc/66/50/00/572665000.db2.gz OGQZBDRRMKWHTQ-YFBAIUBQSA-N 0 0 191.274 2.122 10 30 AEEERN C=C[C@@H](O)[C@H]1CC2CCC1CC2 306469476 572665010 /nfs/dbraw/zinc/66/50/10/572665010.db2.gz ONOVDCHLVCTQSZ-WFBLGPOFSA-N 0 0 166.264 2.360 10 30 AEEERN CC(C)CCC#C[C@@H](C)[C@H](C)O 306447621 572665013 /nfs/dbraw/zinc/66/50/13/572665013.db2.gz FPSVLTYQIRXJCM-MNOVXSKESA-N 0 0 168.280 2.443 10 30 AEEERN C=CC[C@@]12CC[C@@H](O)CC[C@@H](CC1)O2 306461548 572665141 /nfs/dbraw/zinc/66/51/41/572665141.db2.gz DONNBDWJNYGRSZ-SDDRHHMPSA-N 0 0 196.290 2.415 10 30 AEEERN C#CC[C@@H](O)[C@H](C)C(C)(C)C 306435775 572665040 /nfs/dbraw/zinc/66/50/40/572665040.db2.gz BOTYYBYJVHBSSV-DTWKUNHWSA-N 0 0 154.253 2.053 10 30 AEEERN C=C1CC[C@@H]2[C@@H](CO)CCC[C@@H]12 306451183 572665051 /nfs/dbraw/zinc/66/50/51/572665051.db2.gz LIGLYLZFAOZKCM-OUAUKWLOSA-N 0 0 166.264 2.361 10 30 AEEERN C=CCSCC1CC1 306480875 572665059 /nfs/dbraw/zinc/66/50/59/572665059.db2.gz JCXNFPGYGIKOCG-UHFFFAOYSA-N 0 0 128.240 2.316 10 30 AEEERN C=C1CCN(C(=O)C=C(C)C)CC1 306483948 572665109 /nfs/dbraw/zinc/66/51/09/572665109.db2.gz FQFSFYKIPLHZPT-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=C1C[C@H](O)C[C@H]1c1ccccc1 306444350 572665225 /nfs/dbraw/zinc/66/52/25/572665225.db2.gz RFZBSLHDNZZDJN-NWDGAFQWSA-N 0 0 174.243 2.481 10 30 AEEERN C=C[C@H]1C[C@@]1(CO)c1ccccc1 306424787 572665229 /nfs/dbraw/zinc/66/52/29/572665229.db2.gz GKCKQMGUXSOJRM-JQWIXIFHSA-N 0 0 174.243 2.123 10 30 AEEERN C[C@H](C#N)COc1ccc(C=O)cc1 238385890 572665248 /nfs/dbraw/zinc/66/52/48/572665248.db2.gz MZTZIXOFVIZCTJ-SECBINFHSA-N 0 0 189.214 2.038 10 30 AEEERN CCC#CC[C@@H]1CCCC[C@H]1O 306425717 572665376 /nfs/dbraw/zinc/66/53/76/572665376.db2.gz HNMOOHJHJCGEGN-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN C[C@H](C=O)COCC[Si](C)(C)C 238384757 572665426 /nfs/dbraw/zinc/66/54/26/572665426.db2.gz FKBYPXKLYWWOJZ-SECBINFHSA-N 0 0 188.343 2.176 10 30 AEEERN CC[C@@](C)(O)C#Cc1ccsc1 306455057 572665460 /nfs/dbraw/zinc/66/54/60/572665460.db2.gz ACDXRHVMOVKKOV-SNVBAGLBSA-N 0 0 180.272 2.261 10 30 AEEERN C=C[C@H](O)[C@@H]1CC2CCC1CC2 306469474 572665515 /nfs/dbraw/zinc/66/55/15/572665515.db2.gz ONOVDCHLVCTQSZ-LXKPXOPUSA-N 0 0 166.264 2.360 10 30 AEEERN C#C[C@H](O)C1=CC[C@H](C(=C)C)CC1 306484791 572665504 /nfs/dbraw/zinc/66/55/04/572665504.db2.gz QLYZLGXMLWILJT-JQWIXIFHSA-N 0 0 176.259 2.283 10 30 AEEERN C=CC[C@]1(C)C(=O)CCCC[C@@H]1O 306451660 572665699 /nfs/dbraw/zinc/66/56/99/572665699.db2.gz DNIPPZHKDNDBRG-ONGXEEELSA-N 0 0 182.263 2.073 10 30 AEEERN CC#C[C@H](O)c1ccc(C)s1 306403896 572665743 /nfs/dbraw/zinc/66/57/43/572665743.db2.gz GVNKGKIUHUBHMM-QMMMGPOBSA-N 0 0 166.245 2.113 10 30 AEEERN C=C[C@]1(C)C[C@@]2(C)C[C@H]2C1=O 306422009 572665895 /nfs/dbraw/zinc/66/58/95/572665895.db2.gz FGYKXQXCXTYCJQ-FXBDTBDDSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)C[C@H](O)C(C)(C)SC 307678742 572665917 /nfs/dbraw/zinc/66/59/17/572665917.db2.gz PJDRQACHVOWWPH-QMMMGPOBSA-N 0 0 174.309 2.455 10 30 AEEERN C=C[C@@H](O)[C@@H]1CC2CCC1CC2 306469473 572665919 /nfs/dbraw/zinc/66/59/19/572665919.db2.gz ONOVDCHLVCTQSZ-JPPWEJMLSA-N 0 0 166.264 2.360 10 30 AEEERN C#CCCCSCCC1(O)CC1 308087772 572665993 /nfs/dbraw/zinc/66/59/93/572665993.db2.gz QHZWGTJOKQRNOX-UHFFFAOYSA-N 0 0 184.304 2.048 10 30 AEEERN CCC#CC[C@H]1CCCC[C@H]1O 306425723 572666021 /nfs/dbraw/zinc/66/60/21/572666021.db2.gz HNMOOHJHJCGEGN-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN C=C(C)[C@]1(O)CCC[C@H]2C[C@H]21 306459469 572666080 /nfs/dbraw/zinc/66/60/80/572666080.db2.gz GTNKXHZENKJTGC-IVZWLZJFSA-N 0 0 152.237 2.114 10 30 AEEERN C=CCC(C)(C)OCC 307631548 572666090 /nfs/dbraw/zinc/66/60/90/572666090.db2.gz PAAVVCWIRNBFKF-UHFFFAOYSA-N 0 0 128.215 2.378 10 30 AEEERN C=C(C)[C@H](O)[C@H]1[C@H](C)C1(C)C 306467434 572666140 /nfs/dbraw/zinc/66/61/40/572666140.db2.gz QOWAFEKPIDVVQG-YIZRAAEISA-N 0 0 154.253 2.216 10 30 AEEERN C=CCc1cc([C@@H](C)O)ccc1OC 238398260 572672264 /nfs/dbraw/zinc/67/22/64/572672264.db2.gz BWSULDNAJVXXHT-SECBINFHSA-N 0 0 192.258 2.477 10 30 AEEERN C#CCC[C@]1(C)CCCC[C@H]1O 306474507 572666716 /nfs/dbraw/zinc/66/67/16/572666716.db2.gz FZKOHUDKNJUCID-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN C=C[C@](C)(CO)c1cccc(OC)c1 238391008 572666866 /nfs/dbraw/zinc/66/68/66/572666866.db2.gz VCPAXONNEKJSSG-GFCCVEGCSA-N 0 0 192.258 2.131 10 30 AEEERN C=C(CC)Cn1ccc(=O)c(C)c1 306526856 572672317 /nfs/dbraw/zinc/67/23/17/572672317.db2.gz VVOKOCTWYUUWHZ-UHFFFAOYSA-N 0 0 177.247 2.123 10 30 AEEERN C#CC[C@@H](O)C(C)(C)C(C)(C)C 306411145 572667004 /nfs/dbraw/zinc/66/70/04/572667004.db2.gz OFFOEFDUMIVDLS-SECBINFHSA-N 0 0 168.280 2.443 10 30 AEEERN C=C(C)[C@H](NN)[C@@H]1CC2CCC1CC2 306420599 572667052 /nfs/dbraw/zinc/66/70/52/572667052.db2.gz GGDOQKCWTPSVDO-HCWSGVFWSA-N 0 0 194.322 2.221 10 30 AEEERN C=C[C@@H](C)CC(=O)CCC(C)=O 238389332 572667262 /nfs/dbraw/zinc/66/72/62/572667262.db2.gz MIMZMQPIYSBDHL-MRVPVSSYSA-N 0 0 168.236 2.137 10 30 AEEERN C#C[C@H](C)OC(=O)c1cscc1C 306508278 572672706 /nfs/dbraw/zinc/67/27/06/572672706.db2.gz AJFAVHKJIHCHSD-QMMMGPOBSA-N 0 0 194.255 2.235 10 30 AEEERN CO[C@@]1(c2ccccc2)C[C@@H]1CC=O 238390069 572667461 /nfs/dbraw/zinc/66/74/61/572667461.db2.gz MAURYXYOJUEMMO-NWDGAFQWSA-N 0 0 190.242 2.137 10 30 AEEERN C[C@@H]1CC[C@@H](C#N)[C@@H](C#N)C1 252159464 572667546 /nfs/dbraw/zinc/66/75/46/572667546.db2.gz PPZPPSSMYQLYMR-HRDYMLBCSA-N 0 0 148.209 2.086 10 30 AEEERN C=CC[C@@]1(C[C@@H](C)O)CCCCC1=O 238401043 572672430 /nfs/dbraw/zinc/67/24/30/572672430.db2.gz XRELIHLSVGHLFM-PWSUYJOCSA-N 0 0 196.290 2.463 10 30 AEEERN Cc1cc(C(C)C)ncc1C#N 74341841 572667668 /nfs/dbraw/zinc/66/76/68/572667668.db2.gz IQPJRKOBMLNZHH-UHFFFAOYSA-N 0 0 160.220 2.385 10 30 AEEERN C=C(C)[C@@H]1C=C[C@@H](O)[C@@H](C)C1 306431735 572667719 /nfs/dbraw/zinc/66/77/19/572667719.db2.gz UBTIZKNMXAJQJG-IVZWLZJFSA-N 0 0 152.237 2.136 10 30 AEEERN C=C(C)[C@@H](NN)[C@@H]1CC2CCC1CC2 306420600 572667791 /nfs/dbraw/zinc/66/77/91/572667791.db2.gz GGDOQKCWTPSVDO-KIDURHIOSA-N 0 0 194.322 2.221 10 30 AEEERN C=C[C@@H]1[C@@H]2CCCCC[C@H](O)[C@@H]21 307667260 572667992 /nfs/dbraw/zinc/66/79/92/572667992.db2.gz OJSKURHMUKAYGQ-VPOLOUISSA-N 0 0 166.264 2.360 10 30 AEEERN C#CC(=O)Nc1cccc(C)c1Cl 307636046 572673088 /nfs/dbraw/zinc/67/30/88/572673088.db2.gz WONGFPGWRGHJQN-UHFFFAOYSA-N 0 0 193.633 2.220 10 30 AEEERN C=CCS[C@H]1CCC[C@]1(C)O 306435196 572668054 /nfs/dbraw/zinc/66/80/54/572668054.db2.gz BBDTZGHCBMDCAV-IUCAKERBSA-N 0 0 172.293 2.209 10 30 AEEERN C=C[C@H](C)[C@@H]1CC[C@@H](C=C)[C@H]1O 306458559 572668066 /nfs/dbraw/zinc/66/80/66/572668066.db2.gz ZSUBBXJTIFAVON-ZRUFSTJUSA-N 0 0 166.264 2.382 10 30 AEEERN C#CCCNc1ccsc1[N+](=O)[O-] 306448110 572668083 /nfs/dbraw/zinc/66/80/83/572668083.db2.gz WIJUTLQAHAECQR-UHFFFAOYSA-N 0 0 196.231 2.092 10 30 AEEERN Cc1[nH]c2c(C)coc2c1C#N 74341897 572668211 /nfs/dbraw/zinc/66/82/11/572668211.db2.gz MSPVZLMXTUNSQL-UHFFFAOYSA-N 0 0 160.176 2.249 10 30 AEEERN C#CCN(CC)c1c(C)cccc1N 307601842 572668216 /nfs/dbraw/zinc/66/82/16/572668216.db2.gz VKEYGFDBIRYFLU-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN C[C@H](C#N)c1ncc(C2CC2)o1 74341521 572668244 /nfs/dbraw/zinc/66/82/44/572668244.db2.gz DCQRUEWHXSMEAT-ZCFIWIBFSA-N 0 0 162.192 2.179 10 30 AEEERN CO[C@@]1(c2ccccc2)C[C@H]1CC=O 238390099 572668310 /nfs/dbraw/zinc/66/83/10/572668310.db2.gz MAURYXYOJUEMMO-VXGBXAGGSA-N 0 0 190.242 2.137 10 30 AEEERN CC#CC[C@@]1(C)CCCC[C@H]1O 306569902 572668316 /nfs/dbraw/zinc/66/83/16/572668316.db2.gz LVJDMYJBMDXHDR-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN C=C(C)[C@]1(O)CCC[C@@H]2C[C@@H]21 306459471 572668339 /nfs/dbraw/zinc/66/83/39/572668339.db2.gz GTNKXHZENKJTGC-KXUCPTDWSA-N 0 0 152.237 2.114 10 30 AEEERN C=C(C)CN[C@@H](C)C(C)(F)F 307655030 572668740 /nfs/dbraw/zinc/66/87/40/572668740.db2.gz NSFBPXNNTVPMSO-ZETCQYMHSA-N 0 0 163.211 2.196 10 30 AEEERN C=C(C[C@@H](O)C=CC)N=[N+]=[N-] 307654506 572668783 /nfs/dbraw/zinc/66/87/83/572668783.db2.gz MPNKSFKSBXKJMD-SDLBARTOSA-N 0 0 153.185 2.138 10 30 AEEERN CC(C)c1c[nH]c([C@H](C)C#N)n1 74340810 572668855 /nfs/dbraw/zinc/66/88/55/572668855.db2.gz JJACSEBZWOENCF-SSDOTTSWSA-N 0 0 163.224 2.160 10 30 AEEERN CC(C)c1c[nH]c([C@@H](C)C#N)n1 74340808 572668861 /nfs/dbraw/zinc/66/88/61/572668861.db2.gz JJACSEBZWOENCF-ZETCQYMHSA-N 0 0 163.224 2.160 10 30 AEEERN C[C@@H]1CC[C@H](C#N)[C@@H](C#N)C1 252159465 572669001 /nfs/dbraw/zinc/66/90/01/572669001.db2.gz PPZPPSSMYQLYMR-IWSPIJDZSA-N 0 0 148.209 2.086 10 30 AEEERN CC#CC(=O)Oc1ccccc1Cl 306494263 572669114 /nfs/dbraw/zinc/66/91/14/572669114.db2.gz TUWFKJOJXQCWRG-UHFFFAOYSA-N 0 0 194.617 2.269 10 30 AEEERN C=CCCc1nnc(C(F)F)o1 308088945 572669135 /nfs/dbraw/zinc/66/91/35/572669135.db2.gz RQYGBRKBUNXPMU-UHFFFAOYSA-N 0 0 174.150 2.126 10 30 AEEERN CC(C)c1nc([C@H](C)C#N)c[nH]1 74340806 572669155 /nfs/dbraw/zinc/66/91/55/572669155.db2.gz MLPBASQNOQYIGL-SSDOTTSWSA-N 0 0 163.224 2.160 10 30 AEEERN C=C(C)CC(=O)Nc1nc(C)cs1 306469522 572669248 /nfs/dbraw/zinc/66/92/48/572669248.db2.gz OXPGBHJQOWOJIU-UHFFFAOYSA-N 0 0 196.275 2.356 10 30 AEEERN CC(C)c1nc([C@@H](C)C#N)c[nH]1 74340804 572669400 /nfs/dbraw/zinc/66/94/00/572669400.db2.gz MLPBASQNOQYIGL-ZETCQYMHSA-N 0 0 163.224 2.160 10 30 AEEERN C=CCSCCC[C@H](C)O 306514479 572669714 /nfs/dbraw/zinc/66/97/14/572669714.db2.gz ACQAVPSPLHNWSM-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN C#CCSC[C@@H](F)C(F)(F)F 307695764 572669731 /nfs/dbraw/zinc/66/97/31/572669731.db2.gz BYSWFIBJOKMVHB-RXMQYKEDSA-N 0 0 186.173 2.253 10 30 AEEERN C[C@H](C#N)Oc1ccc(F)c(F)c1 48484785 572669778 /nfs/dbraw/zinc/66/97/78/572669778.db2.gz YHIYGGJIEGDMQL-ZCFIWIBFSA-N 0 0 183.157 2.256 10 30 AEEERN C=CCc1noc(-c2ccoc2)n1 307661102 572670120 /nfs/dbraw/zinc/67/01/20/572670120.db2.gz GCOPXBZKDVFBKM-UHFFFAOYSA-N 0 0 176.175 2.058 10 30 AEEERN CC#C[C@@H](O)c1cccc(OCC)c1 307628672 572673217 /nfs/dbraw/zinc/67/32/17/572673217.db2.gz WQNDVJMZNADBAA-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN C[C@H](C#N)c1cc(C2CC2)no1 74341530 572670156 /nfs/dbraw/zinc/67/01/56/572670156.db2.gz JQGDCHJLPDCVNC-ZCFIWIBFSA-N 0 0 162.192 2.179 10 30 AEEERN C#CC[C@H]1CC[C@@](C)(CO)C1(C)C 306538896 572670187 /nfs/dbraw/zinc/67/01/87/572670187.db2.gz UIEGHAJSZAPNDZ-JQWIXIFHSA-N 0 0 180.291 2.445 10 30 AEEERN C=C(C)[C@H]1[C@H](C)C(=O)C[C@H]1C 306505308 572670260 /nfs/dbraw/zinc/67/02/60/572670260.db2.gz FCKAHOXJBQZECJ-NQMVMOMDSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC[C@H](CO)C[C@H](C)C=C 238391836 572670296 /nfs/dbraw/zinc/67/02/96/572670296.db2.gz AWTDYYVNWSCESY-ZJUUUORDSA-N 0 0 154.253 2.383 10 30 AEEERN C[C@@H](C#N)c1ncc(C2CC2)o1 74341519 572670513 /nfs/dbraw/zinc/67/05/13/572670513.db2.gz DCQRUEWHXSMEAT-LURJTMIESA-N 0 0 162.192 2.179 10 30 AEEERN C#CCSC[C@H](F)C(F)(F)F 307695765 572673245 /nfs/dbraw/zinc/67/32/45/572673245.db2.gz BYSWFIBJOKMVHB-YFKPBYRVSA-N 0 0 186.173 2.253 10 30 AEEERN C=C[C@H](C)[C@@H](C)c1nc(C)no1 307652333 572673249 /nfs/dbraw/zinc/67/32/49/572673249.db2.gz SNKRUXPKNVZYPW-NKWVEPMBSA-N 0 0 166.224 2.304 10 30 AEEERN C[C@@H](C#N)c1cc(C2CC2)no1 74341527 572670689 /nfs/dbraw/zinc/67/06/89/572670689.db2.gz JQGDCHJLPDCVNC-LURJTMIESA-N 0 0 162.192 2.179 10 30 AEEERN CO[C@H](C1CCCCC1)[C@@H](C)C=O 238397654 572670710 /nfs/dbraw/zinc/67/07/10/572670710.db2.gz YXEVZWMNRNYHMK-ONGXEEELSA-N 0 0 184.279 2.417 10 30 AEEERN C#CCc1cc(Br)ccn1 306535206 572670724 /nfs/dbraw/zinc/67/07/24/572670724.db2.gz FNYLZPYNIVZRDV-UHFFFAOYSA-N 0 0 196.047 2.020 10 30 AEEERN C=C[C@@H](C(C)C)[C@@H](O)C(C)C 307647369 572670732 /nfs/dbraw/zinc/67/07/32/572670732.db2.gz CPPSQOLAOHZXDC-UWVGGRQHSA-N 0 0 156.269 2.462 10 30 AEEERN C=C(C)C[C@@]1(CO)COC=C(C)C1 306574562 572670787 /nfs/dbraw/zinc/67/07/87/572670787.db2.gz RIWJDCSZOKQKNV-LLVKDONJSA-N 0 0 182.263 2.255 10 30 AEEERN C#CC[C@H]1CC[C@](C)(CO)C1(C)C 306538895 572670794 /nfs/dbraw/zinc/67/07/94/572670794.db2.gz UIEGHAJSZAPNDZ-CMPLNLGQSA-N 0 0 180.291 2.445 10 30 AEEERN C=C(C)CCn1c(Cl)cccc1=O 307659115 572670844 /nfs/dbraw/zinc/67/08/44/572670844.db2.gz CNKSVOPUZGWONY-UHFFFAOYSA-N 0 0 197.665 2.468 10 30 AEEERN C=C(C)CC(=O)[C@@H]1CCOC[C@H]1C 301038493 572670864 /nfs/dbraw/zinc/67/08/64/572670864.db2.gz VFGLHMBHJBKVKV-NXEZZACHSA-N 0 0 182.263 2.194 10 30 AEEERN C=C[C@@H](OC)[C@@H](O)c1ccccc1C 238397883 572671116 /nfs/dbraw/zinc/67/11/16/572671116.db2.gz CXKYRVUFEUMWDB-NEPJUHHUSA-N 0 0 192.258 2.229 10 30 AEEERN C=C(/C=C/C[C@H](O)/C=C/C)COC 238397526 572671233 /nfs/dbraw/zinc/67/12/33/572671233.db2.gz XJVQSVDDJZYTLM-VIAOPVCOSA-N 0 0 182.263 2.072 10 30 AEEERN C=C(C)C[C@H](O)[C@H]1C[C@@H]1CC 307656959 572671707 /nfs/dbraw/zinc/67/17/07/572671707.db2.gz RIYWWSQHTSIZKZ-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@H](C)OC(=O)c1ccc(C)s1 306514066 572671725 /nfs/dbraw/zinc/67/17/25/572671725.db2.gz TZLGWOJFHAZSFN-ZETCQYMHSA-N 0 0 194.255 2.235 10 30 AEEERN C=CCCN1CCC[C@@H]1C(F)F 308087405 572671829 /nfs/dbraw/zinc/67/18/29/572671829.db2.gz PPPZRUCHBDWXIL-MRVPVSSYSA-N 0 0 175.222 2.292 10 30 AEEERN CC[C@H](C#N)NC[C@@H]1CCCCS1 87684857 572671917 /nfs/dbraw/zinc/67/19/17/572671917.db2.gz YZGAVULLUYVPMS-ZJUUUORDSA-N 0 0 198.335 2.164 10 30 AEEERN C=CC[C@]1(C[C@@H](C)O)CCCCC1=O 238398009 572671964 /nfs/dbraw/zinc/67/19/64/572671964.db2.gz XRELIHLSVGHLFM-ZYHUDNBSSA-N 0 0 196.290 2.463 10 30 AEEERN Cc1ccc(N(C)C[C@H](C)C=O)cc1 238397496 572672007 /nfs/dbraw/zinc/67/20/07/572672007.db2.gz YELVIEAUTORZNA-NSHDSACASA-N 0 0 191.274 2.266 10 30 AEEERN C=C(Cl)CNc1nnc(C2CC2)o1 307632988 572672099 /nfs/dbraw/zinc/67/20/99/572672099.db2.gz QQDKKGUJOJUXOP-UHFFFAOYSA-N 0 0 199.641 2.111 10 30 AEEERN C=C[C@@H](OC)[C@H](O)c1ccccc1C 238398050 572672112 /nfs/dbraw/zinc/67/21/12/572672112.db2.gz CXKYRVUFEUMWDB-VXGBXAGGSA-N 0 0 192.258 2.229 10 30 AEEERN C=CC[C@@H](O)c1ccc(O)cc1OC 238397987 572672118 /nfs/dbraw/zinc/67/21/18/572672118.db2.gz JIEDCLRKQNPZDW-SNVBAGLBSA-N 0 0 194.230 2.010 10 30 AEEERN C#CC(=O)Nc1cc(C)ccc1Cl 307604078 572672203 /nfs/dbraw/zinc/67/22/03/572672203.db2.gz VEYSULPTVXYPBO-UHFFFAOYSA-N 0 0 193.633 2.220 10 30 AEEERN C=CCC[C@H](C#CCCCC=O)OC 238400686 572672556 /nfs/dbraw/zinc/67/25/56/572672556.db2.gz SDYZCLPILTYJRK-GFCCVEGCSA-N 0 0 194.274 2.340 10 30 AEEERN CO[C@H](CCC=O)c1ccccc1 238400757 572672571 /nfs/dbraw/zinc/67/25/71/572672571.db2.gz GIZZCVVSPJRWHY-LLVKDONJSA-N 0 0 178.231 2.353 10 30 AEEERN C#CC[C@@H]1CC[C@](C)(CO)C1(C)C 306538899 572672574 /nfs/dbraw/zinc/67/25/74/572672574.db2.gz UIEGHAJSZAPNDZ-ZYHUDNBSSA-N 0 0 180.291 2.445 10 30 AEEERN C=CC[C@@H](CO)C[C@H](C)C=C 238397610 572672592 /nfs/dbraw/zinc/67/25/92/572672592.db2.gz AWTDYYVNWSCESY-NXEZZACHSA-N 0 0 154.253 2.383 10 30 AEEERN CO[C@H](C)c1cccc(CC=O)c1 238397097 572672643 /nfs/dbraw/zinc/67/26/43/572672643.db2.gz DTDIUXYLDQMXET-SECBINFHSA-N 0 0 178.231 2.135 10 30 AEEERN C=CCc1cc(OC)ccc1[C@@H](C)O 238398214 572672667 /nfs/dbraw/zinc/67/26/67/572672667.db2.gz QXXBIESVOSSEOW-SECBINFHSA-N 0 0 192.258 2.477 10 30 AEEERN CC[C@H](C#N)NC[C@H]1CCCCS1 87684861 572672772 /nfs/dbraw/zinc/67/27/72/572672772.db2.gz YZGAVULLUYVPMS-NXEZZACHSA-N 0 0 198.335 2.164 10 30 AEEERN CC1=C[C@H](C)C[C@@H]([C@@H](C#N)N(C)C)C1 235290413 572672820 /nfs/dbraw/zinc/67/28/20/572672820.db2.gz QSRWVJXFDAIHMM-MVWJERBFSA-N 0 0 192.306 2.433 10 30 AEEERN C#Cc1occc1C(F)(F)F 307659666 572672871 /nfs/dbraw/zinc/67/28/71/572672871.db2.gz TWMMZOXVQVSDRM-UHFFFAOYSA-N 0 0 160.094 2.280 10 30 AEEERN CO[C@H](C1CCCCC1)[C@H](C)C=O 238397667 572673049 /nfs/dbraw/zinc/67/30/49/572673049.db2.gz YXEVZWMNRNYHMK-KOLCDFICSA-N 0 0 184.279 2.417 10 30 AEEERN C=C[C@H](C)N[C@@H](C)C(C)(F)F 307661914 572672968 /nfs/dbraw/zinc/67/29/68/572672968.db2.gz VNUOFKBMCKQMND-BQBZGAKWSA-N 0 0 163.211 2.194 10 30 AEEERN C=C[C@H]1[C@@H](CO)[C@@H]1[Si](C)(C)C 307658628 572673310 /nfs/dbraw/zinc/67/33/10/572673310.db2.gz ARSIDQORIYKHFI-DJLDLDEBSA-N 0 0 170.328 2.119 10 30 AEEERN C=C[C@@](O)(CC)[C@H]1CC1(C)C 307639520 572673484 /nfs/dbraw/zinc/67/34/84/572673484.db2.gz FRANRBDQENZSAJ-WCBMZHEXSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@@H]1CC(CC)(CC)[C@H]1O 307606675 572673538 /nfs/dbraw/zinc/67/35/38/572673538.db2.gz CXDTWTKQWPPQNJ-BDAKNGLRSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC(C)(C)[C@@H]1C[C@H](C)[C@H]1O 306502793 572673647 /nfs/dbraw/zinc/67/36/47/572673647.db2.gz DEDVJGFNDLYSPR-DJLDLDEBSA-N 0 0 154.253 2.216 10 30 AEEERN C#CCCC(=O)[C@H]1C[C@H]1CC 307654636 572673718 /nfs/dbraw/zinc/67/37/18/572673718.db2.gz MWJGYXYWQUHKST-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN C[C@@H](O)C[C@H](CC#N)c1ccccc1 238398834 572673937 /nfs/dbraw/zinc/67/39/37/572673937.db2.gz CAVJQIKNHDGAIY-PWSUYJOCSA-N 0 0 189.258 2.455 10 30 AEEERN C[C@@H]1Cc2ccc(C#N)cc2C1 74342347 572674038 /nfs/dbraw/zinc/67/40/38/572674038.db2.gz UDPXGTCOQUUDQV-MRVPVSSYSA-N 0 0 157.216 2.293 10 30 AEEERN C=CCOC(=O)N=c1[nH]cc(C)s1 306537820 572674075 /nfs/dbraw/zinc/67/40/75/572674075.db2.gz OMITVSYYIBHUGT-UHFFFAOYSA-N 0 0 198.247 2.186 10 30 AEEERN C=CC[C@H](CO)c1ccc(OC)cc1 238399351 572674161 /nfs/dbraw/zinc/67/41/61/572674161.db2.gz NORWAACKBOQDOC-LLVKDONJSA-N 0 0 192.258 2.347 10 30 AEEERN C=CCn1ccc(C2(C)CC2)n1 306522699 572674169 /nfs/dbraw/zinc/67/41/69/572674169.db2.gz MCBOSTZDIHVNLE-UHFFFAOYSA-N 0 0 162.236 2.121 10 30 AEEERN C[C@H](C#N)N(C)Cc1ccsc1 48583492 572674225 /nfs/dbraw/zinc/67/42/25/572674225.db2.gz MSPWKGPVVCVEOG-MRVPVSSYSA-N 0 0 180.276 2.092 10 30 AEEERN C=C[C@@]1(CC)C[C@]1(CC)CO 307653530 572674308 /nfs/dbraw/zinc/67/43/08/572674308.db2.gz LJQGTQNESAOVKP-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN CC[C@@H](CC#N)SC[C@@H](C)CO 85138424 572677824 /nfs/dbraw/zinc/67/78/24/572677824.db2.gz WEUXDJUIIINISK-IUCAKERBSA-N 0 0 187.308 2.040 10 30 AEEERN C[C@H]1Cc2ccc(C#N)cc2C1 74342348 572675503 /nfs/dbraw/zinc/67/55/03/572675503.db2.gz UDPXGTCOQUUDQV-QMMMGPOBSA-N 0 0 157.216 2.293 10 30 AEEERN C#C/C(C)=C(\C)CCC(C)=O 306505672 572674728 /nfs/dbraw/zinc/67/47/28/572674728.db2.gz UDZJKSHBFQFRII-CMDGGOBGSA-N 0 0 150.221 2.325 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@]23CCC[C@H]13 306552448 572674737 /nfs/dbraw/zinc/67/47/37/572674737.db2.gz YXHNVYYJQBZPSP-FXPVBKGRSA-N 0 0 162.232 2.322 10 30 AEEERN C[C@@H](C[C@H]1CO1)C(=O)C(C)(C)C 238399441 572674827 /nfs/dbraw/zinc/67/48/27/572674827.db2.gz OMXRFNQVLSQWCQ-YUMQZZPRSA-N 0 0 170.252 2.027 10 30 AEEERN C=C(C)[C@H]1CCC[C@@]1(C)CO 307641653 572674870 /nfs/dbraw/zinc/67/48/70/572674870.db2.gz IWJMZGLASSQZIG-ZJUUUORDSA-N 0 0 154.253 2.361 10 30 AEEERN CC[C@@H](C#N)NC[C@H]1CCCCS1 87684859 572674953 /nfs/dbraw/zinc/67/49/53/572674953.db2.gz YZGAVULLUYVPMS-VHSXEESVSA-N 0 0 198.335 2.164 10 30 AEEERN C=C1CCC(=O)[C@]2(C)CC[C@@H](O)C[C@@H]12 306569357 572675234 /nfs/dbraw/zinc/67/52/34/572675234.db2.gz KYOGWNQUJRMXFV-JFGNBEQYSA-N 0 0 194.274 2.073 10 30 AEEERN C=CCC[C@H](O)[C@@]1(C)C[C@@H]1F 307638640 572675268 /nfs/dbraw/zinc/67/52/68/572675268.db2.gz AMXJNPCAOHVJAD-CIUDSAMLSA-N 0 0 158.216 2.062 10 30 AEEERN CSC(=N)N=NC(C)C(C)(C)C 238399573 572675275 /nfs/dbraw/zinc/67/52/75/572675275.db2.gz GRSHYTVKICVLFH-POHAHGRESA-N 0 0 187.312 2.086 10 30 AEEERN CC(Cc1cccc(F)c1)=NO 393356325 572675373 /nfs/dbraw/zinc/67/53/73/572675373.db2.gz VELPMWVFMILSNL-UHFFFAOYSA-N 0 0 167.183 2.218 10 30 AEEERN CC#CCSC(=S)OC(C)C 307640899 572675444 /nfs/dbraw/zinc/67/54/44/572675444.db2.gz HPKJZHVCSKHLHZ-UHFFFAOYSA-N 0 0 188.317 2.453 10 30 AEEERN C#CCCOc1ccc(Cl)c(N)c1 306537732 572675554 /nfs/dbraw/zinc/67/55/54/572675554.db2.gz RSXAQKYHYVGFPD-UHFFFAOYSA-N 0 0 195.649 2.324 10 30 AEEERN CC1CCC(N(C)[C@H](C)C#N)CC1 48583440 572675578 /nfs/dbraw/zinc/67/55/78/572675578.db2.gz PBRPLMQYKBHOPQ-HSOILSAZSA-N 0 0 180.295 2.409 10 30 AEEERN CC#CC[C@]1(C)CCCC[C@H]1O 306569901 572675590 /nfs/dbraw/zinc/67/55/90/572675590.db2.gz LVJDMYJBMDXHDR-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN C=C1C[C@H](O)[C@@](C)(C(=O)C(C)(C)C)C1 306508632 572675625 /nfs/dbraw/zinc/67/56/25/572675625.db2.gz AMNSEIUSEYWTTL-CABZTGNLSA-N 0 0 196.290 2.319 10 30 AEEERN C#C[C@H](O)C1(C)CCCCCC1 306531510 572675832 /nfs/dbraw/zinc/67/58/32/572675832.db2.gz ATGWVOYYUMZBJQ-JTQLQIEISA-N 0 0 166.264 2.341 10 30 AEEERN CO[C@H](CC=O)c1ccccc1F 238400385 572676394 /nfs/dbraw/zinc/67/63/94/572676394.db2.gz MQMOJNLISPTYLT-SNVBAGLBSA-N 0 0 182.194 2.102 10 30 AEEERN C=C(C)CNc1nccc(SC)n1 306515326 572676021 /nfs/dbraw/zinc/67/60/21/572676021.db2.gz CXKZHDCMOGEVPH-UHFFFAOYSA-N 0 0 195.291 2.187 10 30 AEEERN C=CCONC1CCCCC1 307663585 572676074 /nfs/dbraw/zinc/67/60/74/572676074.db2.gz XLGSGEYCSZSFFK-UHFFFAOYSA-N 0 0 155.241 2.026 10 30 AEEERN C=CCCC(F)(F)C(=O)OCC 117407339 572676146 /nfs/dbraw/zinc/67/61/46/572676146.db2.gz DVXWODWKDBSFLD-UHFFFAOYSA-N 0 0 178.178 2.151 10 30 AEEERN C=C[C@H](CCO)[C@@H](C)CC 306584259 572676266 /nfs/dbraw/zinc/67/62/66/572676266.db2.gz JOOVYPDAMQXPAG-DTWKUNHWSA-N 0 0 142.242 2.217 10 30 AEEERN CO[C@H]1CCC[C@@](Cl)(C#N)C1 234787850 572676274 /nfs/dbraw/zinc/67/62/74/572676274.db2.gz NKKRJNQQVVIMSJ-YUMQZZPRSA-N 0 0 173.643 2.077 10 30 AEEERN C=C(C)[C@@H]1C=C[C@H](C)[C@H](O)C1 307695355 572676373 /nfs/dbraw/zinc/67/63/73/572676373.db2.gz BLPCSYONXDRXMD-IVZWLZJFSA-N 0 0 152.237 2.136 10 30 AEEERN C=CC[C@@H]1C[C@@H]2CCC[C@@H]2[C@H]1O 306517993 572676318 /nfs/dbraw/zinc/67/63/18/572676318.db2.gz CXJQTZPHLUXVQW-VLEAKVRGSA-N 0 0 166.264 2.360 10 30 AEEERN C[C@@H](O)C[C@H](CC=O)c1ccccc1 238398893 572676620 /nfs/dbraw/zinc/67/66/20/572676620.db2.gz QGSAQQLHGNLVPT-PWSUYJOCSA-N 0 0 192.258 2.130 10 30 AEEERN C#CC[C@]12CCCC1=C[C@H](O)CC2 307612314 572676663 /nfs/dbraw/zinc/67/66/63/572676663.db2.gz IBMNQWCZKNURIZ-VXGBXAGGSA-N 0 0 176.259 2.261 10 30 AEEERN C=C[C@]1(O)CC2CCC1CC2 307626950 572676883 /nfs/dbraw/zinc/67/68/83/572676883.db2.gz LCCMCMIRZHNVPY-RTBKNWGFSA-N 0 0 152.237 2.114 10 30 AEEERN CO[C@H](CC=O)c1cccc(F)c1 238400355 572676923 /nfs/dbraw/zinc/67/69/23/572676923.db2.gz XEZGIARWHVNANE-SNVBAGLBSA-N 0 0 182.194 2.102 10 30 AEEERN Cc1ccc(C[C@H](C)NCC#N)cc1 238404595 572676957 /nfs/dbraw/zinc/67/69/57/572676957.db2.gz AEXYJLPVJRVYPK-NSHDSACASA-N 0 0 188.274 2.039 10 30 AEEERN CC1CCC(N(C)[C@@H](C)C#N)CC1 48583436 572676973 /nfs/dbraw/zinc/67/69/73/572676973.db2.gz PBRPLMQYKBHOPQ-YVNMAJEFSA-N 0 0 180.295 2.409 10 30 AEEERN C=CCSCCC[C@@H]1CO1 306505922 572676975 /nfs/dbraw/zinc/67/69/75/572676975.db2.gz GBGJBQBABKEJAS-MRVPVSSYSA-N 0 0 158.266 2.085 10 30 AEEERN CO[C@H](CC=O)c1ccc(F)cc1 238400324 572677062 /nfs/dbraw/zinc/67/70/62/572677062.db2.gz XNMCGZICZYWOEQ-SNVBAGLBSA-N 0 0 182.194 2.102 10 30 AEEERN CC#C[C@@H](O)c1ccc(CC)cc1 307625173 572677701 /nfs/dbraw/zinc/67/77/01/572677701.db2.gz SFPZXCSHZSONDP-GFCCVEGCSA-N 0 0 174.243 2.306 10 30 AEEERN C#CCCC(=O)CC1(C)CC1 307650010 572677159 /nfs/dbraw/zinc/67/71/59/572677159.db2.gz GYHFYPWCQHZXAT-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C=CC[C@@H]1C(=O)[C@H](C)C[C@H]1C 306507120 572677703 /nfs/dbraw/zinc/67/77/03/572677703.db2.gz XBYSLVODDDRCKJ-HLTSFMKQSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCC[C@H](O)[C@]1(C)C[C@@H]1C 307638437 572677387 /nfs/dbraw/zinc/67/73/87/572677387.db2.gz AJKVWVSIWOCCMF-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](O)[C@@H]1C[C@H]1CC(C)C 307646543 572677400 /nfs/dbraw/zinc/67/74/00/572677400.db2.gz BKRGWEZMKSBHIH-BBBLOLIVSA-N 0 0 154.253 2.216 10 30 AEEERN C=C(C)CC(=O)Nc1nccs1 307675263 572677402 /nfs/dbraw/zinc/67/74/02/572677402.db2.gz FNIKWZVDKPMQGK-UHFFFAOYSA-N 0 0 182.248 2.048 10 30 AEEERN CC#C[C@H](O)c1cccc(OCC)c1 307628673 572677429 /nfs/dbraw/zinc/67/74/29/572677429.db2.gz WQNDVJMZNADBAA-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN C=C(Cl)CN[C@@H](C)C(F)(F)F 307610343 572677438 /nfs/dbraw/zinc/67/74/38/572677438.db2.gz HEDVLIZIBGUEEZ-YFKPBYRVSA-N 0 0 187.592 2.279 10 30 AEEERN CCCC=NN1CCCCC1 307865754 572677444 /nfs/dbraw/zinc/67/74/44/572677444.db2.gz JGWRUXMGQRQSDB-UHFFFAOYSA-N 0 0 154.257 2.258 10 30 AEEERN C=C(CSc1nccs1)OC 307608293 572677451 /nfs/dbraw/zinc/67/74/51/572677451.db2.gz GIONPGRSEWLDKK-UHFFFAOYSA-N 0 0 187.289 2.395 10 30 AEEERN C=CCSC[C@](C)(O)C(C)C 307866339 572677697 /nfs/dbraw/zinc/67/76/97/572677697.db2.gz GFFZDGXMHGYRHP-VIFPVBQESA-N 0 0 174.309 2.313 10 30 AEEERN C=C(C)[C@@]12CC[C@H](O)[C@@H]1[C@@H]2CC 307635644 572677482 /nfs/dbraw/zinc/67/74/82/572677482.db2.gz VQSQLUKSKKTHGF-XWLWVQCSSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(Cl)CN[C@H](C)C(F)(F)F 307610342 572677506 /nfs/dbraw/zinc/67/75/06/572677506.db2.gz HEDVLIZIBGUEEZ-RXMQYKEDSA-N 0 0 187.592 2.279 10 30 AEEERN C=C1[C@@H](CO)C[C@@H](C)C1(C)C 307675627 572677517 /nfs/dbraw/zinc/67/75/17/572677517.db2.gz FZBBFCBJVSACRN-VXNVDRBHSA-N 0 0 154.253 2.217 10 30 AEEERN CC[C@H](CC#N)SC[C@@H](C)CO 85138425 572678056 /nfs/dbraw/zinc/67/80/56/572678056.db2.gz WEUXDJUIIINISK-DTWKUNHWSA-N 0 0 187.308 2.040 10 30 AEEERN CC#CCC(=O)CCC1CC1 307661850 572677658 /nfs/dbraw/zinc/67/76/58/572677658.db2.gz VKFYIRGTNZPFAM-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C=C(C)[C@@H]1C[C@H](C)C[C@H](O)C1 306545124 572678065 /nfs/dbraw/zinc/67/80/65/572678065.db2.gz DHCIMENNYHNPIY-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)CNN=C(CC)CC 307866455 572677805 /nfs/dbraw/zinc/67/78/05/572677805.db2.gz JMLCYOFNIPEYOR-UHFFFAOYSA-N 0 0 154.257 2.328 10 30 AEEERN CC#CC[C@]1(C)CCCC[C@@H]1O 306569904 572678318 /nfs/dbraw/zinc/67/83/18/572678318.db2.gz LVJDMYJBMDXHDR-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCC[C@@H]1CCCC[C@@]1(C#C)CO 307626309 572678356 /nfs/dbraw/zinc/67/83/56/572678356.db2.gz UJTNIFIRLFZBAM-OLZOCXBDSA-N 0 0 190.286 2.202 10 30 AEEERN C=CC[C@](C)(CO)C(C)C 306507793 572678532 /nfs/dbraw/zinc/67/85/32/572678532.db2.gz ZDDAPWBKEHOJMZ-SECBINFHSA-N 0 0 142.242 2.217 10 30 AEEERN C=C(C)C[C@H](O)[C@H]1C[C@H]1CC 307656961 572678608 /nfs/dbraw/zinc/67/86/08/572678608.db2.gz RIYWWSQHTSIZKZ-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](O)[C@@H]1C[C@@H]1CC(C)C 307646542 572678635 /nfs/dbraw/zinc/67/86/35/572678635.db2.gz BKRGWEZMKSBHIH-AEJSXWLSSA-N 0 0 154.253 2.216 10 30 AEEERN C=CCn1ccc(C(C)C)n1 306511976 572678682 /nfs/dbraw/zinc/67/86/82/572678682.db2.gz OLHUGWZSOQOXKR-UHFFFAOYSA-N 0 0 150.225 2.193 10 30 AEEERN C=CCCC(=O)C(F)(F)C(F)F 236148280 572678706 /nfs/dbraw/zinc/67/87/06/572678706.db2.gz LEZJGIBKYUKBJV-UHFFFAOYSA-N 0 0 184.132 2.422 10 30 AEEERN C#CCCCC(=O)C(F)(F)C(F)F 236148308 572678754 /nfs/dbraw/zinc/67/87/54/572678754.db2.gz PHOYIRYMKFJQHI-UHFFFAOYSA-N 0 0 196.143 2.259 10 30 AEEERN CC(C)N[C@H](C#N)[C@@H](C)C(C)C 308093898 572678755 /nfs/dbraw/zinc/67/87/55/572678755.db2.gz WITIPCHJZKPDFV-VHSXEESVSA-N 0 0 168.284 2.169 10 30 AEEERN C=CC[C@@H](O)c1sccc1F 307622930 572678774 /nfs/dbraw/zinc/67/87/74/572678774.db2.gz QFQDGEXJDUJTIR-SSDOTTSWSA-N 0 0 172.224 2.497 10 30 AEEERN C[C@@H]1CCC[C@H](CN[C@H](C)C#N)C1 235297736 572678865 /nfs/dbraw/zinc/67/88/65/572678865.db2.gz DRJLZSNRYIVJCM-MXWKQRLJSA-N 0 0 180.295 2.314 10 30 AEEERN C=CC(C)(C)[C@@H]1C[C@H](C)[C@@H]1O 306502807 572678906 /nfs/dbraw/zinc/67/89/06/572678906.db2.gz DEDVJGFNDLYSPR-YIZRAAEISA-N 0 0 154.253 2.216 10 30 AEEERN C=CCSC[C@@](C)(O)C(C)C 307866333 572679264 /nfs/dbraw/zinc/67/92/64/572679264.db2.gz GFFZDGXMHGYRHP-SECBINFHSA-N 0 0 174.309 2.313 10 30 AEEERN C=C[C@H](C(C)C)[C@H](O)C(C)C 307647368 572679454 /nfs/dbraw/zinc/67/94/54/572679454.db2.gz CPPSQOLAOHZXDC-NXEZZACHSA-N 0 0 156.269 2.462 10 30 AEEERN C=C(C)[C@H]1CCC(=O)C[C@@]1(C)CCO 306570646 572679465 /nfs/dbraw/zinc/67/94/65/572679465.db2.gz NFUAFBIYRVKMNF-VXGBXAGGSA-N 0 0 196.290 2.320 10 30 AEEERN C=C(C)[C@@]1(C)CCC=C[C@H]1O 306567796 572679497 /nfs/dbraw/zinc/67/94/97/572679497.db2.gz IICIQTOUFRQFLE-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN CCN(C)N=Cc1ccsc1 307865779 572679678 /nfs/dbraw/zinc/67/96/78/572679678.db2.gz JIZXXSFWLYIBLT-UHFFFAOYSA-N 0 0 168.265 2.034 10 30 AEEERN C=CCC(=O)c1cc(C)cc(N)c1 306534274 572679739 /nfs/dbraw/zinc/67/97/39/572679739.db2.gz NXLFSNGKJCRWNW-UHFFFAOYSA-N 0 0 175.231 2.336 10 30 AEEERN CC[C@H](CC#N)SC[C@H](C)CO 85138427 572679776 /nfs/dbraw/zinc/67/97/76/572679776.db2.gz WEUXDJUIIINISK-RKDXNWHRSA-N 0 0 187.308 2.040 10 30 AEEERN C=CCSc1cccc(NC)n1 306553780 572679861 /nfs/dbraw/zinc/67/98/61/572679861.db2.gz HAOJXSZDVQICEV-UHFFFAOYSA-N 0 0 180.276 2.401 10 30 AEEERN C=C[C@H](C(C)C)[C@@H](O)C(C)C 307647372 572679918 /nfs/dbraw/zinc/67/99/18/572679918.db2.gz CPPSQOLAOHZXDC-ZJUUUORDSA-N 0 0 156.269 2.462 10 30 AEEERN C=C[C@H](O)[C@H]1CC=CC[C@@H]1C=C 307657429 572679922 /nfs/dbraw/zinc/67/99/22/572679922.db2.gz ADCJPZGVWUCLEG-DCAQKATOSA-N 0 0 164.248 2.302 10 30 AEEERN CC(C)N[C@@H](C#N)[C@@H](C)C(C)C 308093897 572680200 /nfs/dbraw/zinc/68/02/00/572680200.db2.gz WITIPCHJZKPDFV-UWVGGRQHSA-N 0 0 168.284 2.169 10 30 AEEERN C[C@H](CO)CS[C@H]1CCC[C@@H]1C#N 85138411 572680150 /nfs/dbraw/zinc/68/01/50/572680150.db2.gz YCFWGLHGRWNCDZ-BBBLOLIVSA-N 0 0 199.319 2.040 10 30 AEEERN CC[C@@H](CC#N)SC[C@H](C)CO 85138426 572680267 /nfs/dbraw/zinc/68/02/67/572680267.db2.gz WEUXDJUIIINISK-BDAKNGLRSA-N 0 0 187.308 2.040 10 30 AEEERN C#Cc1ccc(C)c(C)c1OC 234790589 572680279 /nfs/dbraw/zinc/68/02/79/572680279.db2.gz IBIABIJENCTALK-UHFFFAOYSA-N 0 0 160.216 2.293 10 30 AEEERN C#CCOc1cc(F)c(F)cc1C 307660414 572680239 /nfs/dbraw/zinc/68/02/39/572680239.db2.gz FQXBXYNDEWYTGI-UHFFFAOYSA-N 0 0 182.169 2.285 10 30 AEEERN C=C[C@@](O)(CC)C1CCC1 307632252 572680346 /nfs/dbraw/zinc/68/03/46/572680346.db2.gz MFVGOUXCPGGGIA-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@H](C)[C@H](C)c1nc(C)no1 307652332 572680519 /nfs/dbraw/zinc/68/05/19/572680519.db2.gz SNKRUXPKNVZYPW-BQBZGAKWSA-N 0 0 166.224 2.304 10 30 AEEERN C#CC[C@@H]1CC[C@@](C)(CO)C1(C)C 306538898 572681019 /nfs/dbraw/zinc/68/10/19/572681019.db2.gz UIEGHAJSZAPNDZ-PWSUYJOCSA-N 0 0 180.291 2.445 10 30 AEEERN C=CC(C)(C)[C@@H]1C[C@@H](C)[C@H]1O 306502802 572681025 /nfs/dbraw/zinc/68/10/25/572681025.db2.gz DEDVJGFNDLYSPR-IWSPIJDZSA-N 0 0 154.253 2.216 10 30 AEEERN Cc1ccc(OCC=O)c(Cl)c1 54351900 572681084 /nfs/dbraw/zinc/68/10/84/572681084.db2.gz OWHUTPQYZCMQFS-UHFFFAOYSA-N 0 0 184.622 2.226 10 30 AEEERN C=CCCC(=O)OCC(F)(F)F 308093492 572681176 /nfs/dbraw/zinc/68/11/76/572681176.db2.gz WBRPBNRKUNWGNY-UHFFFAOYSA-N 0 0 182.141 2.058 10 30 AEEERN C=C[C@](O)(CC)[C@@H]1CC1(C)C 307639518 572681188 /nfs/dbraw/zinc/68/11/88/572681188.db2.gz FRANRBDQENZSAJ-SCZZXKLOSA-N 0 0 154.253 2.360 10 30 AEEERN CCCSCCO[C@@H](C)C#N 307866937 572681351 /nfs/dbraw/zinc/68/13/51/572681351.db2.gz GWVPRMAFGDLXBL-QMMMGPOBSA-N 0 0 173.281 2.058 10 30 AEEERN C=C[C@]1(C)C(=O)[C@@H]2CCC[C@H]21 306510096 572681388 /nfs/dbraw/zinc/68/13/88/572681388.db2.gz CMBKVUHAJJYAQZ-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1[C@@H](CO)C[C@H](C)C1(C)C 307675626 572681410 /nfs/dbraw/zinc/68/14/10/572681410.db2.gz FZBBFCBJVSACRN-IONNQARKSA-N 0 0 154.253 2.217 10 30 AEEERN C=C(C)C[C@@H]1C[C@H]2C[C@H]2C1=O 306517672 572681447 /nfs/dbraw/zinc/68/14/47/572681447.db2.gz HTVZHWLZQGSWDF-DJLDLDEBSA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@@](C)(CO)c1cccs1 306522681 572681498 /nfs/dbraw/zinc/68/14/98/572681498.db2.gz MAPLJNWCFXBFFE-VIFPVBQESA-N 0 0 168.261 2.184 10 30 AEEERN C=C[C@](C)(C=O)Cc1ccoc1 238406603 572681564 /nfs/dbraw/zinc/68/15/64/572681564.db2.gz HIHOSNUQZFXFDK-JTQLQIEISA-N 0 0 164.204 2.213 10 30 AEEERN C/C(=C/CC(C)(C)CC#N)CO 214720962 572681577 /nfs/dbraw/zinc/68/15/77/572681577.db2.gz FFQFDANCNNPSMS-WTKPLQERSA-N 0 0 167.252 2.255 10 30 AEEERN C=C1C[C@]12CC[C@H](C)C[C@H]2O 306569644 572681581 /nfs/dbraw/zinc/68/15/81/572681581.db2.gz LGZYQXBAOADBKF-FXBDTBDDSA-N 0 0 152.237 2.114 10 30 AEEERN C=CC[C@]1(CC)CCCC(=O)C[C@@H]1O 306515289 572681640 /nfs/dbraw/zinc/68/16/40/572681640.db2.gz WDJFICVQPYOURM-NWDGAFQWSA-N 0 0 196.290 2.463 10 30 AEEERN CCCCCC1=CO[C@@H](C)C1=O 116259492 572681671 /nfs/dbraw/zinc/68/16/71/572681671.db2.gz DIBXSZDTQWSJCB-QMMMGPOBSA-N 0 0 168.236 2.438 10 30 AEEERN C#C[C@@H](O)C1(C)CCCCCC1 306531802 572681747 /nfs/dbraw/zinc/68/17/47/572681747.db2.gz ATGWVOYYUMZBJQ-SNVBAGLBSA-N 0 0 166.264 2.341 10 30 AEEERN C=CCOCc1cc(F)ccc1C#N 236153895 572681771 /nfs/dbraw/zinc/68/17/71/572681771.db2.gz YEAOULOKALEIMK-UHFFFAOYSA-N 0 0 191.205 2.400 10 30 AEEERN CO[C@H](C)C(=O)C1=CCCCCC1 234790239 572681797 /nfs/dbraw/zinc/68/17/97/572681797.db2.gz GZGAFZAMBQRWOM-SECBINFHSA-N 0 0 182.263 2.481 10 30 AEEERN C=C(CC)C[C@H](O)C(C)(F)F 307681705 572681810 /nfs/dbraw/zinc/68/18/10/572681810.db2.gz YJERTMIEWYNHJV-ZETCQYMHSA-N 0 0 164.195 2.359 10 30 AEEERN C=C(C)CC(=O)[C@H]1CCOC[C@@H]1C 301038496 572681941 /nfs/dbraw/zinc/68/19/41/572681941.db2.gz VFGLHMBHJBKVKV-UWVGGRQHSA-N 0 0 182.263 2.194 10 30 AEEERN C=C1C[C@]2(C)[C@H](O)C[C@H]1C2(C)C 307682973 572682004 /nfs/dbraw/zinc/68/20/04/572682004.db2.gz SQDRDDZCRQJCHW-FXPVBKGRSA-N 0 0 166.264 2.360 10 30 AEEERN C=C[C@H]1CCC[C@@H]1[C@H](O)CC 307697576 572682063 /nfs/dbraw/zinc/68/20/63/572682063.db2.gz MBDHLVQBSLHCLW-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@@]1(C)C[C@@H]2C(=O)CCC[C@H]21 307635965 572682146 /nfs/dbraw/zinc/68/21/46/572682146.db2.gz WCXHGRXNXUSCCU-NGZCFLSTSA-N 0 0 162.232 2.015 10 30 AEEERN C=C[C@@H](C)c1noc([C@@H]2C[C@H]2C)n1 306540452 572682190 /nfs/dbraw/zinc/68/21/90/572682190.db2.gz RNVRZPZTOYYAIV-BWZBUEFSSA-N 0 0 178.235 2.483 10 30 AEEERN C=C[C@H](O)CSC1CCCC1 307656124 572682233 /nfs/dbraw/zinc/68/22/33/572682233.db2.gz PQZGFMVIHAESES-QMMMGPOBSA-N 0 0 172.293 2.209 10 30 AEEERN C=C[C@H]1C[C@H]2C=C[C@@H](O)[C@]23CC[C@H]13 306581871 572682260 /nfs/dbraw/zinc/68/22/60/572682260.db2.gz BMWUPBAKZNFZDE-VSSNEEPJSA-N 0 0 176.259 2.136 10 30 AEEERN CO[C@H](C)C(=O)C1=CCCCC1 234790208 572682404 /nfs/dbraw/zinc/68/24/04/572682404.db2.gz PRYISQFPXUOIOX-MRVPVSSYSA-N 0 0 168.236 2.091 10 30 AEEERN CC[C@@H](CC#N)S[C@H](C)CCO 85143545 572682407 /nfs/dbraw/zinc/68/24/07/572682407.db2.gz CWTCTDNQTLNPRK-BDAKNGLRSA-N 0 0 187.308 2.183 10 30 AEEERN CC[C@H](CC#N)S[C@@H](C)CCO 85143542 572682412 /nfs/dbraw/zinc/68/24/12/572682412.db2.gz CWTCTDNQTLNPRK-DTWKUNHWSA-N 0 0 187.308 2.183 10 30 AEEERN CCO/C=C/C(=O)CC(C)C 307868360 572682477 /nfs/dbraw/zinc/68/24/77/572682477.db2.gz ULISRHLDCOWSIB-AATRIKPKSA-N 0 0 156.225 2.152 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@@]23CCC[C@H]13 306552451 572682487 /nfs/dbraw/zinc/68/24/87/572682487.db2.gz YXHNVYYJQBZPSP-KKZNHRDASA-N 0 0 162.232 2.322 10 30 AEEERN CC=CC(=CC(C)=O)NC(C)(C)C 308094576 572682516 /nfs/dbraw/zinc/68/25/16/572682516.db2.gz WDOFPGPGVYDBSY-INZNQPOWSA-N 0 0 181.279 2.424 10 30 AEEERN C#CCCSCCC=C 307629940 572682518 /nfs/dbraw/zinc/68/25/18/572682518.db2.gz NOMNUIWKXHYCEK-UHFFFAOYSA-N 0 0 140.251 2.319 10 30 AEEERN C=C[C@@H]1[C@@H](O)C[C@@H]1c1ccccc1 306517272 572682636 /nfs/dbraw/zinc/68/26/36/572682636.db2.gz AEOWRZOQPUYYMP-TUAOUCFPSA-N 0 0 174.243 2.337 10 30 AEEERN O=C(CC[C@H]1CO1)c1ccccc1 116359371 572682658 /nfs/dbraw/zinc/68/26/58/572682658.db2.gz QDGSACJWIGBDTF-JTQLQIEISA-N 0 0 176.215 2.048 10 30 AEEERN C#CCCNc1nnc(C(C)C)s1 307638462 572682895 /nfs/dbraw/zinc/68/28/95/572682895.db2.gz AAPBXHLFASSTIN-UHFFFAOYSA-N 0 0 195.291 2.097 10 30 AEEERN CC=CC(=CC(C)=O)NC(C)(C)C 308094580 572682745 /nfs/dbraw/zinc/68/27/45/572682745.db2.gz WDOFPGPGVYDBSY-VAAURPRASA-N 0 0 181.279 2.424 10 30 AEEERN C#CCCCC(=O)C(C)(C)F 307661420 572682761 /nfs/dbraw/zinc/68/27/61/572682761.db2.gz VCPIQHMSJPMAPY-UHFFFAOYSA-N 0 0 156.200 2.107 10 30 AEEERN C=C1C[C@]12CC[C@H](C)C[C@@H]2O 306569646 572682814 /nfs/dbraw/zinc/68/28/14/572682814.db2.gz LGZYQXBAOADBKF-UJNFCWOMSA-N 0 0 152.237 2.114 10 30 AEEERN C#CCC[C@@](C)(O)C1CCCC1 307600178 572682879 /nfs/dbraw/zinc/68/28/79/572682879.db2.gz QSMQEFHXYDYXAM-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C#C[C@@H](C)OC(=O)c1cscc1C 306508276 572682919 /nfs/dbraw/zinc/68/29/19/572682919.db2.gz AJFAVHKJIHCHSD-MRVPVSSYSA-N 0 0 194.255 2.235 10 30 AEEERN CC=CC(=CC(C)=O)NC(C)(C)C 308094578 572683076 /nfs/dbraw/zinc/68/30/76/572683076.db2.gz WDOFPGPGVYDBSY-QDJLDCPTSA-N 0 0 181.279 2.424 10 30 AEEERN CCCCCC1=CC(=O)[C@@H](C)O1 116262086 572683157 /nfs/dbraw/zinc/68/31/57/572683157.db2.gz GHCHXACQARODPO-MRVPVSSYSA-N 0 0 168.236 2.438 10 30 AEEERN C=C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C 306540719 572683178 /nfs/dbraw/zinc/68/31/78/572683178.db2.gz WTGFTODWWSLLKN-ATZCPNFKSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)[C@@H]1OC(C)(C)C[C@@]1(C)CO 306578013 572683213 /nfs/dbraw/zinc/68/32/13/572683213.db2.gz VRQDKWZVMQVQIG-ONGXEEELSA-N 0 0 184.279 2.129 10 30 AEEERN CC#CCC[C@]1(O)CCC[C@H](OC)C1 234790440 572683304 /nfs/dbraw/zinc/68/33/04/572683304.db2.gz SFUOEFIQQSHNIK-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CC(=O)C1=CC=CC=CC=C1 307868689 572683446 /nfs/dbraw/zinc/68/34/46/572683446.db2.gz UZOIMSMIRAGTLF-UHFFFAOYSA-N 0 0 146.189 2.184 10 30 AEEERN C[C@H](CCO)S[C@@H]1CCC[C@@H]1C#N 85143502 572683595 /nfs/dbraw/zinc/68/35/95/572683595.db2.gz HMOSRKYVWIAFRF-OPRDCNLKSA-N 0 0 199.319 2.183 10 30 AEEERN C[C@H](Cc1cccnc1)[C@@H]1O[C@@H]1C 253484504 572683668 /nfs/dbraw/zinc/68/36/68/572683668.db2.gz HSIIKJSOWAPMGH-KKZNHRDASA-N 0 0 177.247 2.048 10 30 AEEERN CCCCCC1=CO[C@H](C)C1=O 116259494 572683767 /nfs/dbraw/zinc/68/37/67/572683767.db2.gz DIBXSZDTQWSJCB-MRVPVSSYSA-N 0 0 168.236 2.438 10 30 AEEERN C=C[C@@H](C(C)C)[C@@H](O)/C=C/C 307648332 572683831 /nfs/dbraw/zinc/68/38/31/572683831.db2.gz DRPCIOWZGYQDHN-MLXLLJIISA-N 0 0 154.253 2.382 10 30 AEEERN CSC(=N)N=NC(C)C(C)(C)C 307869845 572683861 /nfs/dbraw/zinc/68/38/61/572683861.db2.gz GRSHYTVKICVLFH-UHFFFAOYSA-N 0 0 187.312 2.086 10 30 AEEERN CC[C@H](CC#N)S[C@H](C)CCO 85143546 572683867 /nfs/dbraw/zinc/68/38/67/572683867.db2.gz CWTCTDNQTLNPRK-RKDXNWHRSA-N 0 0 187.308 2.183 10 30 AEEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccncc1 253483713 572683878 /nfs/dbraw/zinc/68/38/78/572683878.db2.gz AMUVTPWSKQJHKT-WCABBAIRSA-N 0 0 177.247 2.048 10 30 AEEERN C[C@@H]1O[C@H]1[C@H](C)Cc1cccnc1 253484506 572683925 /nfs/dbraw/zinc/68/39/25/572683925.db2.gz HSIIKJSOWAPMGH-YWVKMMECSA-N 0 0 177.247 2.048 10 30 AEEERN C=C1C[C@H](CC(C)=O)[C@@H]2C(=C)[C@H]12 306550247 572684022 /nfs/dbraw/zinc/68/40/22/572684022.db2.gz VIYBLNZDDQRLFK-VWYCJHECSA-N 0 0 162.232 2.344 10 30 AEEERN C=C1CC[C@H](OC)[C@H](C)CC[C@@H]1O 306550080 572684103 /nfs/dbraw/zinc/68/41/03/572684103.db2.gz HDMMWOLSLZUQAP-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN C[C@H](CCO)S[C@H]1CCC[C@@H]1C#N 85143507 572684131 /nfs/dbraw/zinc/68/41/31/572684131.db2.gz HMOSRKYVWIAFRF-BBBLOLIVSA-N 0 0 199.319 2.183 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)C[C@]1(C)CCO 306570645 572684842 /nfs/dbraw/zinc/68/48/42/572684842.db2.gz NFUAFBIYRVKMNF-RYUDHWBXSA-N 0 0 196.290 2.320 10 30 AEEERN C[C@H](Cc1cccnc1)[C@H]1O[C@@H]1C 253484503 572684442 /nfs/dbraw/zinc/68/44/42/572684442.db2.gz HSIIKJSOWAPMGH-FXPVBKGRSA-N 0 0 177.247 2.048 10 30 AEEERN C=CC[C@@H]1C[C@@H]2CCC[C@@H]2[C@@H]1O 306517995 572684464 /nfs/dbraw/zinc/68/44/64/572684464.db2.gz CXJQTZPHLUXVQW-ZRUFSTJUSA-N 0 0 166.264 2.360 10 30 AEEERN COCc1c(C#N)oc2ccccc12 77068371 572684469 /nfs/dbraw/zinc/68/44/69/572684469.db2.gz FMPCQSHPFJIKIH-UHFFFAOYSA-N 0 0 187.198 2.451 10 30 AEEERN CCCCCC1=CC(=O)[C@H](C)O1 116262088 572684488 /nfs/dbraw/zinc/68/44/88/572684488.db2.gz GHCHXACQARODPO-QMMMGPOBSA-N 0 0 168.236 2.438 10 30 AEEERN C=C[C@@H]1[C@H](O)C[C@H]1c1ccccc1 306517265 572684497 /nfs/dbraw/zinc/68/44/97/572684497.db2.gz AEOWRZOQPUYYMP-SDDRHHMPSA-N 0 0 174.243 2.337 10 30 AEEERN C=C1CCCC[C@@H]2CCC(=O)[C@@]12CO 307670304 572684512 /nfs/dbraw/zinc/68/45/12/572684512.db2.gz UODIMFLQNZKCPI-PWSUYJOCSA-N 0 0 194.274 2.074 10 30 AEEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccc(O)cc1 253484438 572684538 /nfs/dbraw/zinc/68/45/38/572684538.db2.gz HIECFWQRGVILPF-VDDIYKPWSA-N 0 0 192.258 2.358 10 30 AEEERN C[C@H](Cc1ccc(O)cc1)[C@@H]1O[C@@H]1C 253484436 572684757 /nfs/dbraw/zinc/68/47/57/572684757.db2.gz HIECFWQRGVILPF-LNLATYFQSA-N 0 0 192.258 2.358 10 30 AEEERN CC#CCSCc1cnc(C)nc1 306508527 572685073 /nfs/dbraw/zinc/68/50/73/572685073.db2.gz ASFCAPIENPBSHV-UHFFFAOYSA-N 0 0 192.287 2.042 10 30 AEEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccncc1 253483714 572685085 /nfs/dbraw/zinc/68/50/85/572685085.db2.gz AMUVTPWSKQJHKT-YWVKMMECSA-N 0 0 177.247 2.048 10 30 AEEERN C=CCCC(=O)[C@]1(C)C[C@H]1F 307656293 572685116 /nfs/dbraw/zinc/68/51/16/572685116.db2.gz QCIGTYIEBFZIIE-VXNVDRBHSA-N 0 0 156.200 2.270 10 30 AEEERN C#C[C@]1(O)CC[C@@H]2CCCC[C@H]2C1 37630991 572685226 /nfs/dbraw/zinc/68/52/26/572685226.db2.gz ZVKYGUXZQYYASM-SRVKXCTJSA-N 0 0 178.275 2.341 10 30 AEEERN C=C[C@@H]1[C@@H](O)C[C@H]1c1ccccc1 306517267 572685233 /nfs/dbraw/zinc/68/52/33/572685233.db2.gz AEOWRZOQPUYYMP-SRVKXCTJSA-N 0 0 174.243 2.337 10 30 AEEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1cccnc1 253484505 572685272 /nfs/dbraw/zinc/68/52/72/572685272.db2.gz HSIIKJSOWAPMGH-WCABBAIRSA-N 0 0 177.247 2.048 10 30 AEEERN CC(C)(C)CC=NNC1CC1 307871063 572690888 /nfs/dbraw/zinc/69/08/88/572690888.db2.gz LIDWCBXMUUQTMD-UHFFFAOYSA-N 0 0 154.257 2.160 10 30 AEEERN C=CC(C)(C)[C@@H]1C[C@@H](C)[C@@H]1O 306502798 572685584 /nfs/dbraw/zinc/68/55/84/572685584.db2.gz DEDVJGFNDLYSPR-HLTSFMKQSA-N 0 0 154.253 2.216 10 30 AEEERN C=C[C@H](O)[C@@H]1CC=CC[C@H]1C=C 307657435 572685551 /nfs/dbraw/zinc/68/55/51/572685551.db2.gz ADCJPZGVWUCLEG-MXWKQRLJSA-N 0 0 164.248 2.302 10 30 AEEERN C=C[C@H](C)[C@@H]1C=C[C@@H](CO)CC1 306534328 572685809 /nfs/dbraw/zinc/68/58/09/572685809.db2.gz OFJKVRGVFMFSQQ-HBNTYKKESA-N 0 0 166.264 2.383 10 30 AEEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccc(O)cc1 253484437 572685844 /nfs/dbraw/zinc/68/58/44/572685844.db2.gz HIECFWQRGVILPF-PTRXPTGYSA-N 0 0 192.258 2.358 10 30 AEEERN C=C[C@](C)(CO)c1cccs1 306522679 572686542 /nfs/dbraw/zinc/68/65/42/572686542.db2.gz MAPLJNWCFXBFFE-SECBINFHSA-N 0 0 168.261 2.184 10 30 AEEERN C[C@H](Cc1ccncc1)[C@H]1O[C@@H]1C 253483711 572686020 /nfs/dbraw/zinc/68/60/20/572686020.db2.gz AMUVTPWSKQJHKT-FXPVBKGRSA-N 0 0 177.247 2.048 10 30 AEEERN FC1(C#CC2(Cl)CC2)CC1 306586351 572686034 /nfs/dbraw/zinc/68/60/34/572686034.db2.gz RGKZEYJHZLEZDH-UHFFFAOYSA-N 0 0 158.603 2.263 10 30 AEEERN C=CCNC(C)(C)C(F)(F)F 307660188 572686178 /nfs/dbraw/zinc/68/61/78/572686178.db2.gz TTYOBAMMZBNNFK-UHFFFAOYSA-N 0 0 167.174 2.103 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C(C)C 307666996 572686189 /nfs/dbraw/zinc/68/61/89/572686189.db2.gz GDBDVQIGJSRVIY-QMMMGPOBSA-N 0 0 156.225 2.150 10 30 AEEERN O=C[C@H](c1ccccc1)[C@@H]1CCOC1 116411190 572686198 /nfs/dbraw/zinc/68/61/98/572686198.db2.gz GTLVDVSWQRJVJZ-VXGBXAGGSA-N 0 0 190.242 2.006 10 30 AEEERN O=C[C@H](c1ccccc1)[C@H]1CCOC1 116411194 572686244 /nfs/dbraw/zinc/68/62/44/572686244.db2.gz GTLVDVSWQRJVJZ-NWDGAFQWSA-N 0 0 190.242 2.006 10 30 AEEERN C=CCn1cc(C(F)(F)F)cn1 306562548 572686344 /nfs/dbraw/zinc/68/63/44/572686344.db2.gz UHBLNAJKPFHSML-UHFFFAOYSA-N 0 0 176.141 2.088 10 30 AEEERN C=CCC(=O)[C@@H]1C[C@H]1CC 306567799 572686355 /nfs/dbraw/zinc/68/63/55/572686355.db2.gz SXNCHKSOBNQQCK-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C#C[C@H](C)n1c(CO)cc2ccccc21 238407448 572686501 /nfs/dbraw/zinc/68/65/01/572686501.db2.gz NMPIKHUYRRZYBF-JTQLQIEISA-N 0 0 199.253 2.328 10 30 AEEERN C=C(C)[C@@]1(C)CCC=C[C@@H]1O 306567800 572686617 /nfs/dbraw/zinc/68/66/17/572686617.db2.gz IICIQTOUFRQFLE-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(CC)C[C@H](NN)[C@@H]1[C@H]2CCC[C@H]21 252970121 572688589 /nfs/dbraw/zinc/68/85/89/572688589.db2.gz QEFQXHCMKMANII-WHOHXGKFSA-N 0 0 194.322 2.221 10 30 AEEERN C[C@H](Cc1ccccc1O)[C@H]1O[C@@H]1C 253484310 572686870 /nfs/dbraw/zinc/68/68/70/572686870.db2.gz GIZFQTRPTCTZLM-KBVBSXBZSA-N 0 0 192.258 2.358 10 30 AEEERN C=C[C@H]1CC(CC)(CC)[C@H]1O 307606678 572686952 /nfs/dbraw/zinc/68/69/52/572686952.db2.gz CXDTWTKQWPPQNJ-IUCAKERBSA-N 0 0 154.253 2.360 10 30 AEEERN C#CCCC[C@H](O)c1ccc(F)nc1 686123117 572687004 /nfs/dbraw/zinc/68/70/04/572687004.db2.gz DUZRFRORULKCGF-JTQLQIEISA-N 0 0 193.221 2.058 10 30 AEEERN C#CCCC[C@@H](O)c1ccc(F)nc1 686123118 572687428 /nfs/dbraw/zinc/68/74/28/572687428.db2.gz DUZRFRORULKCGF-SNVBAGLBSA-N 0 0 193.221 2.058 10 30 AEEERN C#C[C@H](O)C(CC)(CC)CC 307654524 572687466 /nfs/dbraw/zinc/68/74/66/572687466.db2.gz MRAKWRYWGFENDQ-VIFPVBQESA-N 0 0 154.253 2.197 10 30 AEEERN C#C[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@H]1O 307613047 572687614 /nfs/dbraw/zinc/68/76/14/572687614.db2.gz JDVNVEIXPATZPC-WRWGMCAJSA-N 0 0 178.275 2.197 10 30 AEEERN C=C1[C@H](CO)C[C@@H](C)C1(C)C 307675624 572687628 /nfs/dbraw/zinc/68/76/28/572687628.db2.gz FZBBFCBJVSACRN-APPZFPTMSA-N 0 0 154.253 2.217 10 30 AEEERN N#CCC(=O)c1ccc2cnccc2c1 116421992 572687681 /nfs/dbraw/zinc/68/76/81/572687681.db2.gz XXMHRSFGXPOKCA-UHFFFAOYSA-N 0 0 196.209 2.331 10 30 AEEERN C=C(CC)C[C@@H](NN)[C@@H]1[C@H]2CCC[C@H]21 252970120 572687732 /nfs/dbraw/zinc/68/77/32/572687732.db2.gz QEFQXHCMKMANII-KXNHARMFSA-N 0 0 194.322 2.221 10 30 AEEERN C=C(C(F)(F)F)C1(O)CCCC1 307680922 572687767 /nfs/dbraw/zinc/68/77/67/572687767.db2.gz PDTNKSMBRVTCEP-UHFFFAOYSA-N 0 0 180.169 2.410 10 30 AEEERN O=C[C@@H](c1ccccc1)[C@@H]1CCOC1 116411192 572687877 /nfs/dbraw/zinc/68/78/77/572687877.db2.gz GTLVDVSWQRJVJZ-NEPJUHHUSA-N 0 0 190.242 2.006 10 30 AEEERN C=C1[C@H](C)[C@H]1[C@H](O)C(C)(C)C 307615911 572688108 /nfs/dbraw/zinc/68/81/08/572688108.db2.gz NHYAJAMBXZBQOQ-CIUDSAMLSA-N 0 0 154.253 2.216 10 30 AEEERN C=C1C[C@@H](O)[C@@](C)(C(=O)C(C)(C)C)C1 306508634 572688135 /nfs/dbraw/zinc/68/81/35/572688135.db2.gz AMNSEIUSEYWTTL-SKDRFNHKSA-N 0 0 196.290 2.319 10 30 AEEERN C=C[C@]12CC[C@H](C[C@@H]1O)C2(C)C 307684888 572691253 /nfs/dbraw/zinc/69/12/53/572691253.db2.gz WTGFTODWWSLLKN-YWVKMMECSA-N 0 0 166.264 2.360 10 30 AEEERN C#C[C@@H](C)OC(=O)c1ccc(C)s1 306514065 572688232 /nfs/dbraw/zinc/68/82/32/572688232.db2.gz TZLGWOJFHAZSFN-SSDOTTSWSA-N 0 0 194.255 2.235 10 30 AEEERN N#Cc1ccc(-c2ccc(F)cn2)nc1 236161740 572688346 /nfs/dbraw/zinc/68/83/46/572688346.db2.gz HVVPSHSADRFCHK-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN O=C[C@@H](c1ccccc1)[C@H]1CCOC1 116411196 572688352 /nfs/dbraw/zinc/68/83/52/572688352.db2.gz GTLVDVSWQRJVJZ-RYUDHWBXSA-N 0 0 190.242 2.006 10 30 AEEERN C#CCC[C@@]1(C)CCCC[C@H]1O 306521463 572690475 /nfs/dbraw/zinc/69/04/75/572690475.db2.gz FZKOHUDKNJUCID-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CO[C@]1(C#N)CC(C)(C)C[C@@H]1C 234798950 572688450 /nfs/dbraw/zinc/68/84/50/572688450.db2.gz RZRWWGLVCKJLJD-WPRPVWTQSA-N 0 0 167.252 2.351 10 30 AEEERN C=CC[C@H]1CC[C@@]1(C)CCO 307653273 572688667 /nfs/dbraw/zinc/68/86/67/572688667.db2.gz LBMAOLSXVANAQZ-UWVGGRQHSA-N 0 0 154.253 2.361 10 30 AEEERN C=C[C@H](O)[C@H]1CCC=C[C@H]1C 306580743 572688718 /nfs/dbraw/zinc/68/87/18/572688718.db2.gz YTXNKQAUSDYVNW-UTLUCORTSA-N 0 0 152.237 2.136 10 30 AEEERN C=CCSCCC[C@@H](C)O 306514478 572688777 /nfs/dbraw/zinc/68/87/77/572688777.db2.gz ACQAVPSPLHNWSM-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN C=C[C@@H](O)C(C(C)C)C(C)C 307643108 572691123 /nfs/dbraw/zinc/69/11/23/572691123.db2.gz OGYUBVMKYNADBG-SECBINFHSA-N 0 0 156.269 2.462 10 30 AEEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccccc1O 253484312 572689249 /nfs/dbraw/zinc/68/92/49/572689249.db2.gz GIZFQTRPTCTZLM-PTRXPTGYSA-N 0 0 192.258 2.358 10 30 AEEERN N#CCCCc1[nH]nc2ccccc12 117472358 572689361 /nfs/dbraw/zinc/68/93/61/572689361.db2.gz RNYQJGHLATWCEY-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN C=CC[C@@H]1CC[C@]1(C)CCO 307653272 572692156 /nfs/dbraw/zinc/69/21/56/572692156.db2.gz LBMAOLSXVANAQZ-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN C#C[C@@H]([C@@H](O)CC)C(C)(C)C 306578553 572689624 /nfs/dbraw/zinc/68/96/24/572689624.db2.gz WCVXAQCSMRUNOC-IUCAKERBSA-N 0 0 154.253 2.053 10 30 AEEERN C=C(C)[C@@H](O)CC(C)(C)SC 307665577 572689649 /nfs/dbraw/zinc/68/96/49/572689649.db2.gz AYRLBWWZQZKWMG-QMMMGPOBSA-N 0 0 174.309 2.455 10 30 AEEERN C[C@H](Cc1ccccc1O)[C@@H]1O[C@@H]1C 253484311 572689808 /nfs/dbraw/zinc/68/98/08/572689808.db2.gz GIZFQTRPTCTZLM-LNLATYFQSA-N 0 0 192.258 2.358 10 30 AEEERN C=C1[C@@H](C)[C@@H]1[C@H](O)C(C)(C)C 307679771 572689937 /nfs/dbraw/zinc/68/99/37/572689937.db2.gz NHYAJAMBXZBQOQ-HLTSFMKQSA-N 0 0 154.253 2.216 10 30 AEEERN CO[C@H]1CCCC[C@@]1(Cl)C#N 234798874 572689944 /nfs/dbraw/zinc/68/99/44/572689944.db2.gz SYDMXUQJXTUTIT-JGVFFNPUSA-N 0 0 173.643 2.077 10 30 AEEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccccc1O 253484313 572690006 /nfs/dbraw/zinc/69/00/06/572690006.db2.gz GIZFQTRPTCTZLM-VDDIYKPWSA-N 0 0 192.258 2.358 10 30 AEEERN CC#C[C@](C)(O)c1cccc(F)c1F 307614482 572690072 /nfs/dbraw/zinc/69/00/72/572690072.db2.gz OTBSPRUQEOQYDS-NSHDSACASA-N 0 0 196.196 2.196 10 30 AEEERN C=CC[C@@H]1CC[C@@H]2CC[C@@H](O)[C@H]12 307642319 572690229 /nfs/dbraw/zinc/69/02/29/572690229.db2.gz JTAUVWQKSRUBDW-GWOFURMSSA-N 0 0 166.264 2.360 10 30 AEEERN C=C1C[C@H](O)C[C@H]2[C@@H](C)CC[C@H]12 307681622 572690273 /nfs/dbraw/zinc/69/02/73/572690273.db2.gz QCIQEAIXLKHYFV-BBHBSTQDSA-N 0 0 166.264 2.360 10 30 AEEERN C=CCC[C@H](O)[C@]1(C)C[C@H]1F 307638641 572690278 /nfs/dbraw/zinc/69/02/78/572690278.db2.gz AMXJNPCAOHVJAD-HRDYMLBCSA-N 0 0 158.216 2.062 10 30 AEEERN c1ccc([C@]2(C3CC3)CO2)cc1 48770121 572690330 /nfs/dbraw/zinc/69/03/30/572690330.db2.gz KJMQMBUSCGXMKG-NSHDSACASA-N 0 0 160.216 2.322 10 30 AEEERN CO[C@]1(C#N)CC(C)(C)C[C@H]1C 234798979 572690457 /nfs/dbraw/zinc/69/04/57/572690457.db2.gz RZRWWGLVCKJLJD-SCZZXKLOSA-N 0 0 167.252 2.351 10 30 AEEERN CCO[C@H](C#N)c1cncn1C(C)C 85189490 572690752 /nfs/dbraw/zinc/69/07/52/572690752.db2.gz VWAYPFNNUMLDNH-SNVBAGLBSA-N 0 0 193.250 2.065 10 30 AEEERN CCO[C@@H](C#N)c1cncn1C(C)C 85189488 572690778 /nfs/dbraw/zinc/69/07/78/572690778.db2.gz VWAYPFNNUMLDNH-JTQLQIEISA-N 0 0 193.250 2.065 10 30 AEEERN C=C[C@@H](C)OC(=O)/C(C)=C\C 307642408 572691284 /nfs/dbraw/zinc/69/12/84/572691284.db2.gz LSUNMKHMXUJYNI-GRKOMRHMSA-N 0 0 154.209 2.070 10 30 AEEERN CC#CC[C@@]1(C)CCCC[C@@H]1O 306569903 572691338 /nfs/dbraw/zinc/69/13/38/572691338.db2.gz LVJDMYJBMDXHDR-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN C[C@H](Cc1ccccn1)[C@@H]1O[C@@H]1C 253485221 572691347 /nfs/dbraw/zinc/69/13/47/572691347.db2.gz MWQFVVYYYAUDBG-KKZNHRDASA-N 0 0 177.247 2.048 10 30 AEEERN C=C1[C@H](CO)C[C@H](C)C1(C)C 307675625 572691382 /nfs/dbraw/zinc/69/13/82/572691382.db2.gz FZBBFCBJVSACRN-CBAPKCEASA-N 0 0 154.253 2.217 10 30 AEEERN C=CCCNc1c(N)cccc1F 306595462 572691397 /nfs/dbraw/zinc/69/13/97/572691397.db2.gz UFDAPJPCSCRPLH-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN C=C[C@@H](C)[C@@H](C)c1nc(C)no1 307652334 572691429 /nfs/dbraw/zinc/69/14/29/572691429.db2.gz SNKRUXPKNVZYPW-RNFRBKRXSA-N 0 0 166.224 2.304 10 30 AEEERN C[C@H](Cc1cccc(O)c1)[C@H]1O[C@@H]1C 253485613 572692809 /nfs/dbraw/zinc/69/28/09/572692809.db2.gz PWFLDFRYIBXKNC-KBVBSXBZSA-N 0 0 192.258 2.358 10 30 AEEERN C=CC[C@@H]1C[C@@H]2CCC[C@H]2[C@H]1O 306517994 572692233 /nfs/dbraw/zinc/69/22/33/572692233.db2.gz CXJQTZPHLUXVQW-ZDCRXTMVSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)CN(C)c1nc(C)cs1 307689419 572692241 /nfs/dbraw/zinc/69/22/41/572692241.db2.gz GOCSRBGUOQHAJV-UHFFFAOYSA-N 0 0 182.292 2.464 10 30 AEEERN C[C@H](Cc1ccc(O)cc1)[C@H]1O[C@@H]1C 253484435 572692356 /nfs/dbraw/zinc/69/23/56/572692356.db2.gz HIECFWQRGVILPF-KBVBSXBZSA-N 0 0 192.258 2.358 10 30 AEEERN C=C[C@@H]1CN(c2ccccc2)CCO1 307623812 572692394 /nfs/dbraw/zinc/69/23/94/572692394.db2.gz RBCSOJNMXGJLBA-GFCCVEGCSA-N 0 0 189.258 2.078 10 30 AEEERN C#C[C@@H](C)Nc1nccc2occc12 235301528 572692426 /nfs/dbraw/zinc/69/24/26/572692426.db2.gz FMZRHKZSGDFHMY-MRVPVSSYSA-N 0 0 186.214 2.261 10 30 AEEERN C#CCC1(Cn2ccnc2)CCC1 306510704 572692463 /nfs/dbraw/zinc/69/24/63/572692463.db2.gz LNNDVKDSCKESCQ-UHFFFAOYSA-N 0 0 174.247 2.077 10 30 AEEERN C=C(Cl)CN[C@@H](C)C(C)(F)F 307654179 572692892 /nfs/dbraw/zinc/69/28/92/572692892.db2.gz MGCCJSTYLLPABV-LURJTMIESA-N 0 0 183.629 2.372 10 30 AEEERN CCc1oc(C)cc1CC#N 77075674 572692935 /nfs/dbraw/zinc/69/29/35/572692935.db2.gz ZTDQLELTJQGYCY-UHFFFAOYSA-N 0 0 149.193 2.217 10 30 AEEERN CCc1oc(C)cc1C#N 77075657 572693007 /nfs/dbraw/zinc/69/30/07/572693007.db2.gz RDTPLJSHERFPAA-UHFFFAOYSA-N 0 0 135.166 2.022 10 30 AEEERN C[C@@H]1OCC[C@@H]1SCCCS 235303124 572693076 /nfs/dbraw/zinc/69/30/76/572693076.db2.gz SLMYEUCWRFZITP-YUMQZZPRSA-N 0 0 192.349 2.217 10 30 AEEERN C[C@@H]1OCC[C@H]1SCCCS 235303138 572693141 /nfs/dbraw/zinc/69/31/41/572693141.db2.gz SLMYEUCWRFZITP-JGVFFNPUSA-N 0 0 192.349 2.217 10 30 AEEERN C=C(C)[C@H]1C[C@@H](O)C[C@H](C)C1 306545128 572693143 /nfs/dbraw/zinc/69/31/43/572693143.db2.gz DHCIMENNYHNPIY-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)C[C@H](O)[C@@H]1C[C@@H]1CC 307656957 572693216 /nfs/dbraw/zinc/69/32/16/572693216.db2.gz RIYWWSQHTSIZKZ-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@H]1O[C@H]1[C@H](C)Cc1cccc(O)c1 253485615 572693230 /nfs/dbraw/zinc/69/32/30/572693230.db2.gz PWFLDFRYIBXKNC-PTRXPTGYSA-N 0 0 192.258 2.358 10 30 AEEERN C#CC(=O)[C@H](CC)CC(C)C 307663233 572693237 /nfs/dbraw/zinc/69/32/37/572693237.db2.gz XBNDPZLUBGMBCH-SECBINFHSA-N 0 0 152.237 2.261 10 30 AEEERN COc1cc(C[C@@H](C)C=O)ccc1C 238410406 572693370 /nfs/dbraw/zinc/69/33/70/572693370.db2.gz XFIKRIUVANAPOQ-SECBINFHSA-N 0 0 192.258 2.381 10 30 AEEERN C=C[C@H](O)C(C(C)C)C(C)C 307643261 572693461 /nfs/dbraw/zinc/69/34/61/572693461.db2.gz OGYUBVMKYNADBG-VIFPVBQESA-N 0 0 156.269 2.462 10 30 AEEERN c1ccc([C@@]2(C3CC3)CO2)cc1 48770123 572693555 /nfs/dbraw/zinc/69/35/55/572693555.db2.gz KJMQMBUSCGXMKG-LLVKDONJSA-N 0 0 160.216 2.322 10 30 AEEERN C[C@H](Cc1ccccn1)[C@H]1O[C@@H]1C 253485220 572693788 /nfs/dbraw/zinc/69/37/88/572693788.db2.gz MWQFVVYYYAUDBG-FXPVBKGRSA-N 0 0 177.247 2.048 10 30 AEEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccccn1 253485223 572693851 /nfs/dbraw/zinc/69/38/51/572693851.db2.gz MWQFVVYYYAUDBG-YWVKMMECSA-N 0 0 177.247 2.048 10 30 AEEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1cccc(O)c1 253485616 572693854 /nfs/dbraw/zinc/69/38/54/572693854.db2.gz PWFLDFRYIBXKNC-VDDIYKPWSA-N 0 0 192.258 2.358 10 30 AEEERN C=C[C@H]1CCCSC1 307688474 572693865 /nfs/dbraw/zinc/69/38/65/572693865.db2.gz FLLZZEHSJQTCNE-ZETCQYMHSA-N 0 0 128.240 2.316 10 30 AEEERN C=C1[C@@H]([C@@H](O)C(C)(C)C)[C@H]1C 307615912 572693920 /nfs/dbraw/zinc/69/39/20/572693920.db2.gz NHYAJAMBXZBQOQ-DJLDLDEBSA-N 0 0 154.253 2.216 10 30 AEEERN C=C(C)/C=C/[C@H](O)C[C@H](C)CCC=O 238414172 572694025 /nfs/dbraw/zinc/69/40/25/572694025.db2.gz CZBDLRLMXPQTFA-JIVBQCDMSA-N 0 0 196.290 2.485 10 30 AEEERN C=C[C@H]1C[C@H]2C[C@@H](O)C[C@@H](C1)C2 306518678 572694046 /nfs/dbraw/zinc/69/40/46/572694046.db2.gz IHYBTTKIYYFZGT-DTIDVZRVSA-N 0 0 166.264 2.360 10 30 AEEERN C=CCCC[C@@H]1C=CC[C@@H]1O 307647025 572694086 /nfs/dbraw/zinc/69/40/86/572694086.db2.gz CELMLKUODVDIAJ-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@@H](CC=O)[C@@H](C)CCC(C)(C)O 238415271 572694209 /nfs/dbraw/zinc/69/42/09/572694209.db2.gz DIZPWKOJCMYZFR-UWVGGRQHSA-N 0 0 186.295 2.399 10 30 AEEERN C=C(C)[C@@H](O)CSC(C)(C)C 307656869 572694227 /nfs/dbraw/zinc/69/42/27/572694227.db2.gz RANCKFOYPBCFPK-QMMMGPOBSA-N 0 0 174.309 2.455 10 30 AEEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccccn1 253485222 572694253 /nfs/dbraw/zinc/69/42/53/572694253.db2.gz MWQFVVYYYAUDBG-WCABBAIRSA-N 0 0 177.247 2.048 10 30 AEEERN C[C@H](Cc1cccc(O)c1)[C@@H]1O[C@@H]1C 253485614 572694308 /nfs/dbraw/zinc/69/43/08/572694308.db2.gz PWFLDFRYIBXKNC-LNLATYFQSA-N 0 0 192.258 2.358 10 30 AEEERN C=C1C[C@@H](O)[C@](C)(C(=O)C(C)(C)C)C1 306508631 572694696 /nfs/dbraw/zinc/69/46/96/572694696.db2.gz AMNSEIUSEYWTTL-BXKDBHETSA-N 0 0 196.290 2.319 10 30 AEEERN CO[C@@]1(C)C(C)=CC[C@@H]1CCC=O 238415723 572694470 /nfs/dbraw/zinc/69/44/70/572694470.db2.gz IBDRZVCQBXHRKB-QWRGUYRKSA-N 0 0 182.263 2.337 10 30 AEEERN C[C@H](CC=O)CCC(=O)c1ccoc1 238415077 572694593 /nfs/dbraw/zinc/69/45/93/572694593.db2.gz NXFWCWUZAUYVHN-VIFPVBQESA-N 0 0 194.230 2.468 10 30 AEEERN C=C[C@H](O[C@H](C)C=O)c1ccco1 238413380 572694815 /nfs/dbraw/zinc/69/48/15/572694815.db2.gz UFHULZCXHUXIPZ-BDAKNGLRSA-N 0 0 180.203 2.111 10 30 AEEERN C=CCC(=O)N[C@H](C)c1ccccc1 238414558 572694877 /nfs/dbraw/zinc/69/48/77/572694877.db2.gz ULRCYUALPBZSFH-SNVBAGLBSA-N 0 0 189.258 2.440 10 30 AEEERN C[C@H](C#N)CCC(=O)C(F)(F)F 238414216 572694931 /nfs/dbraw/zinc/69/49/31/572694931.db2.gz FONJDKPRMHHAQK-YFKPBYRVSA-N 0 0 179.141 2.058 10 30 AEEERN C[C@H](CCCC#N)n1cccn1 238414871 572694989 /nfs/dbraw/zinc/69/49/89/572694989.db2.gz FMMQWXUDYHCRRW-SECBINFHSA-N 0 0 163.224 2.138 10 30 AEEERN C=C[C@@H](CCO)[C@H](C)CC 306584258 572695073 /nfs/dbraw/zinc/69/50/73/572695073.db2.gz JOOVYPDAMQXPAG-BDAKNGLRSA-N 0 0 142.242 2.217 10 30 AEEERN C[C@@H](CCC(C)(C)O)[C@H](C)CC=O 238415287 572695162 /nfs/dbraw/zinc/69/51/62/572695162.db2.gz DIZPWKOJCMYZFR-VHSXEESVSA-N 0 0 186.295 2.399 10 30 AEEERN C=C(CO)[C@@H](C)C(=O)c1ccccc1 238414802 572695246 /nfs/dbraw/zinc/69/52/46/572695246.db2.gz QWZPWVPIUWHRAS-SNVBAGLBSA-N 0 0 190.242 2.054 10 30 AEEERN C=C(CC[C@H](C)C(C)=O)C(C)=O 238414045 572695284 /nfs/dbraw/zinc/69/52/84/572695284.db2.gz BAJGNHLNYBRSKF-QMMMGPOBSA-N 0 0 168.236 2.137 10 30 AEEERN C[C@@H](CC=O)CCCC(C)(C)CO 238414968 572695385 /nfs/dbraw/zinc/69/53/85/572695385.db2.gz FKTCFQZEWPBZKU-SNVBAGLBSA-N 0 0 186.295 2.400 10 30 AEEERN CCCC(=O)/C=C(\C)OCC 307871553 572695407 /nfs/dbraw/zinc/69/54/07/572695407.db2.gz WWADIAWEKYXQRC-BQYQJAHWSA-N 0 0 156.225 2.296 10 30 AEEERN C[C@H](CCCC#N)n1cc(C#N)cn1 238414751 572695432 /nfs/dbraw/zinc/69/54/32/572695432.db2.gz IYPJOQCFTOLAQO-SECBINFHSA-N 0 0 188.234 2.010 10 30 AEEERN C=C[C@]1(CC)C[C@]1(CC)CO 307653533 572695445 /nfs/dbraw/zinc/69/54/45/572695445.db2.gz LJQGTQNESAOVKP-VHSXEESVSA-N 0 0 154.253 2.361 10 30 AEEERN C=CCC(=O)[C@@H](C)CCC(C)=O 238415501 572695506 /nfs/dbraw/zinc/69/55/06/572695506.db2.gz ZWZUXHLOPLYRJM-QMMMGPOBSA-N 0 0 168.236 2.137 10 30 AEEERN C=CC[C@@H]1C[C@@H]2CCC[C@H]2[C@@H]1O 306517992 572695561 /nfs/dbraw/zinc/69/55/61/572695561.db2.gz CXJQTZPHLUXVQW-LNFKQOIKSA-N 0 0 166.264 2.360 10 30 AEEERN CC#CCCn1ccc(C2CC2)n1 307607012 572695580 /nfs/dbraw/zinc/69/55/80/572695580.db2.gz AMZMGUUGIRAQKB-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C=C1CCC(=O)[C@]2(C)CC[C@@H](O)C[C@H]12 306569354 572695589 /nfs/dbraw/zinc/69/55/89/572695589.db2.gz KYOGWNQUJRMXFV-CKYFFXLPSA-N 0 0 194.274 2.073 10 30 AEEERN C=C(C)C(=O)CC[C@H](C)C(C)=O 238414192 572695595 /nfs/dbraw/zinc/69/55/95/572695595.db2.gz NWNCLXXTLTXUDQ-QMMMGPOBSA-N 0 0 168.236 2.137 10 30 AEEERN C=C1CC[C@@H]([C@@]2(C)CO2)C[C@@H]1CCO 307688756 572695624 /nfs/dbraw/zinc/69/56/24/572695624.db2.gz MGTXZPIMKUMXEC-QJPTWQEYSA-N 0 0 196.290 2.130 10 30 AEEERN C=CCCCCC[NH2+]CCCC(=O)[O-] 236424896 572695629 /nfs/dbraw/zinc/69/56/29/572695629.db2.gz ZNCICOLYEDDFQT-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN N#C[C@H]1CCCC[C@@H]1SCCCO 85163012 572695688 /nfs/dbraw/zinc/69/56/88/572695688.db2.gz XAOXQQSPMMQQCI-ZJUUUORDSA-N 0 0 199.319 2.184 10 30 AEEERN C=C[C@H](O)[C@H]1C[C@H]1CC(C)C 307646546 572695713 /nfs/dbraw/zinc/69/57/13/572695713.db2.gz BKRGWEZMKSBHIH-UTLUCORTSA-N 0 0 154.253 2.216 10 30 AEEERN C#CCCC(=O)[C@@H]1C[C@@H]1CC 307654637 572695823 /nfs/dbraw/zinc/69/58/23/572695823.db2.gz MWJGYXYWQUHKST-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN C=C(CO)[C@@H](C)C(=O)C1CCCCC1 238414791 572695868 /nfs/dbraw/zinc/69/58/68/572695868.db2.gz PWSXIBVQENBXQB-SNVBAGLBSA-N 0 0 196.290 2.320 10 30 AEEERN C[C@@H](CC#N)CCCCCCO 238417224 572695890 /nfs/dbraw/zinc/69/58/90/572695890.db2.gz SZKWHMLNOAYKDB-SNVBAGLBSA-N 0 0 169.268 2.479 10 30 AEEERN C=CCC[C@H](O)[C@]1(C)CCCCO1 87762436 572697760 /nfs/dbraw/zinc/69/77/60/572697760.db2.gz AFLXAAGVCUBEMU-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN C=C[C@]1(CO)C[C@H]1c1ccccc1 306513251 572695928 /nfs/dbraw/zinc/69/59/28/572695928.db2.gz SDVWKECVDOQJRE-NWDGAFQWSA-N 0 0 174.243 2.339 10 30 AEEERN N#C[C@@H]1CCCC[C@@H]1SCCCO 85163010 572696152 /nfs/dbraw/zinc/69/61/52/572696152.db2.gz XAOXQQSPMMQQCI-UWVGGRQHSA-N 0 0 199.319 2.184 10 30 AEEERN C#CCC[C@@](C)(O)[C@@H]1CC1(C)C 307655868 572696194 /nfs/dbraw/zinc/69/61/94/572696194.db2.gz XVNVGBKBZXCIOT-MWLCHTKSSA-N 0 0 166.264 2.197 10 30 AEEERN CO[C@@]1(C)C(C)=CC[C@H]1CCC=O 238415937 572696209 /nfs/dbraw/zinc/69/62/09/572696209.db2.gz IBDRZVCQBXHRKB-MNOVXSKESA-N 0 0 182.263 2.337 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C(C)C 307666995 572696486 /nfs/dbraw/zinc/69/64/86/572696486.db2.gz GDBDVQIGJSRVIY-MRVPVSSYSA-N 0 0 156.225 2.150 10 30 AEEERN C=CC[C@@](C)(CO)C(C)C 306507794 572696557 /nfs/dbraw/zinc/69/65/57/572696557.db2.gz ZDDAPWBKEHOJMZ-VIFPVBQESA-N 0 0 142.242 2.217 10 30 AEEERN C=C[C@@H](O)[C@@H]1C[C@H]1CC(C)C 307646545 572696579 /nfs/dbraw/zinc/69/65/79/572696579.db2.gz BKRGWEZMKSBHIH-OPRDCNLKSA-N 0 0 154.253 2.216 10 30 AEEERN CC=C=CC(=O)c1cc(C)cc(C)n1 306528472 572696594 /nfs/dbraw/zinc/69/65/94/572696594.db2.gz BTDZGIASYKGGGD-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN CC#CCSc1cc(C)nc(C)n1 307697714 572696606 /nfs/dbraw/zinc/69/66/06/572696606.db2.gz MECZVQDXEQMBLO-UHFFFAOYSA-N 0 0 192.287 2.209 10 30 AEEERN C[C@H](CCC=O)C1=CC(=O)CCC1 238413866 572696669 /nfs/dbraw/zinc/69/66/69/572696669.db2.gz NZEOQRJQXYRVGV-SECBINFHSA-N 0 0 180.247 2.281 10 30 AEEERN C=C[C@@H]1C(=C)C[C@@H]2C(=O)CC[C@H]12 306550227 572696736 /nfs/dbraw/zinc/69/67/36/572696736.db2.gz UTTVVBCDPREMQP-BBBLOLIVSA-N 0 0 162.232 2.344 10 30 AEEERN C=C[C@@H](O[C@H](C)C=O)c1ccco1 238413985 572696739 /nfs/dbraw/zinc/69/67/39/572696739.db2.gz UFHULZCXHUXIPZ-RKDXNWHRSA-N 0 0 180.203 2.111 10 30 AEEERN C=C1CC[C@@H]([C@@]2(C)CO2)C[C@H]1CCO 307643827 572696809 /nfs/dbraw/zinc/69/68/09/572696809.db2.gz MGTXZPIMKUMXEC-IJLUTSLNSA-N 0 0 196.290 2.130 10 30 AEEERN C=C[C@@H]1[C@@H]2CCCCC[C@H](O)[C@H]21 307667259 572697097 /nfs/dbraw/zinc/69/70/97/572697097.db2.gz OJSKURHMUKAYGQ-RCWTZXSCSA-N 0 0 166.264 2.360 10 30 AEEERN C=CCN(CC)CC(=C)Cl 307694823 572697251 /nfs/dbraw/zinc/69/72/51/572697251.db2.gz XZPBVSQNKGQCLQ-UHFFFAOYSA-N 0 0 159.660 2.247 10 30 AEEERN COC(C)(C)C#C[C@@H](C)[C@@H](O)C(C)C 307667888 572697321 /nfs/dbraw/zinc/69/73/21/572697321.db2.gz POFAPQHWVAOVQH-MNOVXSKESA-N 0 0 198.306 2.068 10 30 AEEERN C#CC1=C(C)CC[C@@H](C)O1 306585961 572697358 /nfs/dbraw/zinc/69/73/58/572697358.db2.gz KQCAJUKSWDTAQZ-MRVPVSSYSA-N 0 0 136.194 2.093 10 30 AEEERN C=C(CC)C[C@@H](O)C(C)(F)F 307681704 572697408 /nfs/dbraw/zinc/69/74/08/572697408.db2.gz YJERTMIEWYNHJV-SSDOTTSWSA-N 0 0 164.195 2.359 10 30 AEEERN C=C(C)[C@H]1OC(C)(C)C[C@]1(C)CO 306578012 572697427 /nfs/dbraw/zinc/69/74/27/572697427.db2.gz VRQDKWZVMQVQIG-MWLCHTKSSA-N 0 0 184.279 2.129 10 30 AEEERN C=CCNC(=O)C1=C(Cl)CCCC1 306509786 572697493 /nfs/dbraw/zinc/69/74/93/572697493.db2.gz JSNCCOBNEPPTLW-UHFFFAOYSA-N 0 0 199.681 2.356 10 30 AEEERN C=C(C)CN[C@H](C)C(F)(F)F 307628481 572697496 /nfs/dbraw/zinc/69/74/96/572697496.db2.gz KIANLPZGPXSZSK-ZCFIWIBFSA-N 0 0 167.174 2.103 10 30 AEEERN C#CC[C@H](C)Nc1nc(C(C)C)no1 306584939 572697552 /nfs/dbraw/zinc/69/75/52/572697552.db2.gz KAAMHOGEIKGBSC-QMMMGPOBSA-N 0 0 193.250 2.017 10 30 AEEERN C=C(C)[C@H](O)c1ncc(CC)s1 307648867 572697578 /nfs/dbraw/zinc/69/75/78/572697578.db2.gz HKPHAXXEBJZRND-QMMMGPOBSA-N 0 0 183.276 2.315 10 30 AEEERN C=CC[C@@H]1C(=O)[C@@H](C)C[C@H]1C 306507121 572697591 /nfs/dbraw/zinc/69/75/91/572697591.db2.gz XBYSLVODDDRCKJ-VGMNWLOBSA-N 0 0 152.237 2.424 10 30 AEEERN CCCCCO/C=C/C(C)=O 307872092 572697639 /nfs/dbraw/zinc/69/76/39/572697639.db2.gz XNKODYQUWHJKDP-SOFGYWHQSA-N 0 0 156.225 2.296 10 30 AEEERN C=C1C[C@]12CC[C@@H](C)C[C@H]2O 306569645 572697661 /nfs/dbraw/zinc/69/76/61/572697661.db2.gz LGZYQXBAOADBKF-SZEHBUNVSA-N 0 0 152.237 2.114 10 30 AEEERN C=C1C[C@]2(C)CC(=O)[C@@H]3[C@H]1[C@@]32C 306527753 572697695 /nfs/dbraw/zinc/69/76/95/572697695.db2.gz YNHBUEVGOQZVAB-ZDCRXTMVSA-N 0 0 162.232 2.178 10 30 AEEERN COC(C)(C)C#C[C@@H](C)[C@H](O)C(C)C 307667887 572697701 /nfs/dbraw/zinc/69/77/01/572697701.db2.gz POFAPQHWVAOVQH-GHMZBOCLSA-N 0 0 198.306 2.068 10 30 AEEERN C=CCCC[C@H]1C=CC[C@@H]1O 307647022 572697834 /nfs/dbraw/zinc/69/78/34/572697834.db2.gz CELMLKUODVDIAJ-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C1CCCC[C@H]2CCC(=O)[C@]12CO 307670303 572697851 /nfs/dbraw/zinc/69/78/51/572697851.db2.gz UODIMFLQNZKCPI-CMPLNLGQSA-N 0 0 194.274 2.074 10 30 AEEERN C#C[C@]1(C)CC[C@H](CO)C1(C)C 307676937 572697946 /nfs/dbraw/zinc/69/79/46/572697946.db2.gz IICBWJOLGHTQDR-MWLCHTKSSA-N 0 0 166.264 2.054 10 30 AEEERN C=C(C)[C@]1(C)C(=O)[C@H]2CC=C[C@H]21 306547453 572698054 /nfs/dbraw/zinc/69/80/54/572698054.db2.gz LBRWRLQVRIXCFS-NGZCFLSTSA-N 0 0 162.232 2.344 10 30 AEEERN C=C[C@@H](C)OC(=O)/C(C)=C/C 307871744 572698063 /nfs/dbraw/zinc/69/80/63/572698063.db2.gz LSUNMKHMXUJYNI-WVXIBAHESA-N 0 0 154.209 2.070 10 30 AEEERN C=CCC[C@@H](O)[C@]1(C)CCCCO1 87762432 572697887 /nfs/dbraw/zinc/69/78/87/572697887.db2.gz AFLXAAGVCUBEMU-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN C=C[C@](O)(CC)C1CCC1 307632254 572697891 /nfs/dbraw/zinc/69/78/91/572697891.db2.gz MFVGOUXCPGGGIA-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN N#C[C@H]1CCCC[C@H]1SCCCO 85163013 572698416 /nfs/dbraw/zinc/69/84/16/572698416.db2.gz XAOXQQSPMMQQCI-NXEZZACHSA-N 0 0 199.319 2.184 10 30 AEEERN CCC[C@H](C)C=NN(C)CC 307873014 572698460 /nfs/dbraw/zinc/69/84/60/572698460.db2.gz MNGJYTNWGCFPDK-VIFPVBQESA-N 0 0 156.273 2.360 10 30 AEEERN C=C[C@@H](C)NN1[C@@H](C)CCC[C@H]1C 235208191 572698498 /nfs/dbraw/zinc/69/84/98/572698498.db2.gz COEQAMOPIXVMBR-MXWKQRLJSA-N 0 0 182.311 2.328 10 30 AEEERN C=CCCC(=O)[C@@H](C)OCC=C 238409563 572698848 /nfs/dbraw/zinc/69/88/48/572698848.db2.gz HBZBTEJAWZUNEC-SECBINFHSA-N 0 0 168.236 2.113 10 30 AEEERN C=CCCCn1cccc1C(=O)OC 238409158 572698577 /nfs/dbraw/zinc/69/85/77/572698577.db2.gz MBSWWIBAMCVZDB-UHFFFAOYSA-N 0 0 193.246 2.241 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1SCCCO 85163011 572698592 /nfs/dbraw/zinc/69/85/92/572698592.db2.gz XAOXQQSPMMQQCI-VHSXEESVSA-N 0 0 199.319 2.184 10 30 AEEERN C=C[C@H](C)OC(=O)/C(C)=C/C 307871740 572698620 /nfs/dbraw/zinc/69/86/20/572698620.db2.gz LSUNMKHMXUJYNI-IVGLGHLBSA-N 0 0 154.209 2.070 10 30 AEEERN C#C[C@@H]([C@H](O)CC)C(C)(C)C 306578548 572700323 /nfs/dbraw/zinc/70/03/23/572700323.db2.gz WCVXAQCSMRUNOC-DTWKUNHWSA-N 0 0 154.253 2.053 10 30 AEEERN C=C1CCC(=O)[C@]2(C)CC[C@H](O)C[C@H]12 306569355 572698657 /nfs/dbraw/zinc/69/86/57/572698657.db2.gz KYOGWNQUJRMXFV-HOSYDEDBSA-N 0 0 194.274 2.073 10 30 AEEERN C#C[C@@H](C(C)C)n1cccc1 301005420 572698711 /nfs/dbraw/zinc/69/87/11/572698711.db2.gz XTTMSVLCGKYRKC-JTQLQIEISA-N 0 0 147.221 2.318 10 30 AEEERN C=C[C@H](CC[C@H](C=C)[C@@H](C)O)[C@@H](C)O 238409911 572698782 /nfs/dbraw/zinc/69/87/82/572698782.db2.gz CFQICZLVTFCWML-KKOKHZNYSA-N 0 0 198.306 2.133 10 30 AEEERN C=C1CC[C@H](OC)[C@@H](C)CC[C@H]1O 306550077 572698899 /nfs/dbraw/zinc/69/88/99/572698899.db2.gz HDMMWOLSLZUQAP-AXFHLTTASA-N 0 0 184.279 2.129 10 30 AEEERN CCCC(=O)[C@]1(C)N=NC=C1C 306547955 572698914 /nfs/dbraw/zinc/69/89/14/572698914.db2.gz LYBDXSPTTBAQLS-SECBINFHSA-N 0 0 166.224 2.136 10 30 AEEERN C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O 306511274 572699034 /nfs/dbraw/zinc/69/90/34/572699034.db2.gz MPDNQOBHWXWEEO-ATZCPNFKSA-N 0 0 166.264 2.360 10 30 AEEERN C=C[C@@H](C)SCCOCC 306541948 572699152 /nfs/dbraw/zinc/69/91/52/572699152.db2.gz ULWFWXNMHBZEQL-MRVPVSSYSA-N 0 0 160.282 2.331 10 30 AEEERN C=C[C@H](C)ONC1CCCC1 307673701 572699319 /nfs/dbraw/zinc/69/93/19/572699319.db2.gz BFGFNYQLUPEMRT-QMMMGPOBSA-N 0 0 155.241 2.025 10 30 AEEERN C=C[C@H](O)[C@@H]1CCC=C[C@H]1C 306580742 572699443 /nfs/dbraw/zinc/69/94/43/572699443.db2.gz YTXNKQAUSDYVNW-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN C[C@H](F)CCON=C1CCC1 307624466 572699476 /nfs/dbraw/zinc/69/94/76/572699476.db2.gz FPNNDGOMYQACTP-ZETCQYMHSA-N 0 0 159.204 2.291 10 30 AEEERN C=C(C)[C@]1(C)CCC=C[C@H]1O 306567802 572699531 /nfs/dbraw/zinc/69/95/31/572699531.db2.gz IICIQTOUFRQFLE-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@@H](Cc1ccccc1)C(O)=CC=O 238409969 572699549 /nfs/dbraw/zinc/69/95/49/572699549.db2.gz BJRXHVQXTRWNLP-JTQLQIEISA-N 0 0 190.242 2.023 10 30 AEEERN C=C[C@H](C)SCCOCC 306541949 572699553 /nfs/dbraw/zinc/69/95/53/572699553.db2.gz ULWFWXNMHBZEQL-QMMMGPOBSA-N 0 0 160.282 2.331 10 30 AEEERN C[C@@H](F)CCON=C1CCC1 307624465 572699564 /nfs/dbraw/zinc/69/95/64/572699564.db2.gz FPNNDGOMYQACTP-SSDOTTSWSA-N 0 0 159.204 2.291 10 30 AEEERN CCCCC1=C[C@@H]2C=CC(=O)[C@H]12 196861435 572700398 /nfs/dbraw/zinc/70/03/98/572700398.db2.gz SGUYLXCLUDNOBM-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H](C)[C@H](C)c1nc(C)no1 307652335 572699737 /nfs/dbraw/zinc/69/97/37/572699737.db2.gz SNKRUXPKNVZYPW-RQJHMYQMSA-N 0 0 166.224 2.304 10 30 AEEERN CC(C)OC(=S)S[C@H](C)C#N 307624463 572700046 /nfs/dbraw/zinc/70/00/46/572700046.db2.gz FPIRCRMKZCJPLG-ZCFIWIBFSA-N 0 0 189.305 2.342 10 30 AEEERN C=C[C@@H](C(C)C)[C@H](O)/C=C/C 307648330 572700125 /nfs/dbraw/zinc/70/01/25/572700125.db2.gz DRPCIOWZGYQDHN-IUUOVRRDSA-N 0 0 154.253 2.382 10 30 AEEERN C=CCC[C@@H](O)[C@@]1(C)CCCCO1 87762430 572700414 /nfs/dbraw/zinc/70/04/14/572700414.db2.gz AFLXAAGVCUBEMU-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN CC#CCC[C@@]1(O)CCC[C@@H](OC)C1 234803148 572700174 /nfs/dbraw/zinc/70/01/74/572700174.db2.gz SFUOEFIQQSHNIK-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN C=CCOCC1([C@H](C)O)CCCC1 238420630 572700536 /nfs/dbraw/zinc/70/05/36/572700536.db2.gz MOUIPKBWCBROKZ-JTQLQIEISA-N 0 0 184.279 2.130 10 30 AEEERN CCCC(CCC)=NNC 196863094 572700540 /nfs/dbraw/zinc/70/05/40/572700540.db2.gz MQDFMDVJENGKFU-UHFFFAOYSA-N 0 0 142.246 2.162 10 30 AEEERN CC(C)OC(=S)S[C@@H](C)C#N 307624462 572700656 /nfs/dbraw/zinc/70/06/56/572700656.db2.gz FPIRCRMKZCJPLG-LURJTMIESA-N 0 0 189.305 2.342 10 30 AEEERN C=CCO/N=C/c1cccs1 307620197 572700760 /nfs/dbraw/zinc/70/07/60/572700760.db2.gz ASDQCHBLOTYEJR-VQHVLOKHSA-N 0 0 167.233 2.285 10 30 AEEERN C=CCC[C@H](C)C1=CC(=O)C[C@@H]1CO 238419841 572700811 /nfs/dbraw/zinc/70/08/11/572700811.db2.gz PGFWYCBHPUELJN-VHSXEESVSA-N 0 0 194.274 2.096 10 30 AEEERN C=C[C@@H](C)NOC1CCCC1 235210373 572700816 /nfs/dbraw/zinc/70/08/16/572700816.db2.gz JKEHJCDJOBDWAE-MRVPVSSYSA-N 0 0 155.241 2.025 10 30 AEEERN C[C@@H](CCCC#N)n1cc(C#N)cn1 238421677 572700929 /nfs/dbraw/zinc/70/09/29/572700929.db2.gz IYPJOQCFTOLAQO-VIFPVBQESA-N 0 0 188.234 2.010 10 30 AEEERN CCCCC1=C[C@H]2C=CC(=O)[C@H]12 196861433 572701179 /nfs/dbraw/zinc/70/11/79/572701179.db2.gz SGUYLXCLUDNOBM-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C=C1C(=O)CCCC[C@H]1C 196865580 572701109 /nfs/dbraw/zinc/70/11/09/572701109.db2.gz QGJOMBWGWIESSC-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN C=C[C@@H]1CCCCC(=O)C1=C 196865624 572701354 /nfs/dbraw/zinc/70/13/54/572701354.db2.gz WZWHZSWPDFTRHL-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1CC[C@H](OC)[C@H](C)CC[C@H]1O 306550079 572701946 /nfs/dbraw/zinc/70/19/46/572701946.db2.gz HDMMWOLSLZUQAP-MXWKQRLJSA-N 0 0 184.279 2.129 10 30 AEEERN CCCCC1=C[C@H]2C=CC(=O)[C@@H]12 196861445 572701686 /nfs/dbraw/zinc/70/16/86/572701686.db2.gz SGUYLXCLUDNOBM-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN CC1=C[C@H](C)C[C@H]([C@@H](O)[C@@H](C)C#N)C1 235314271 572701615 /nfs/dbraw/zinc/70/16/15/572701615.db2.gz LZZWGYANVSHQFP-VGDYDELISA-N 0 0 193.290 2.499 10 30 AEEERN N#CCc1cc(Cl)c2c(c1)CCO2 214754377 572701877 /nfs/dbraw/zinc/70/18/77/572701877.db2.gz SOTUHSWUPHXCIB-UHFFFAOYSA-N 0 0 193.633 2.341 10 30 AEEERN CCCCC1=C[C@@H]2C=CC(=O)[C@@H]12 196861456 572701912 /nfs/dbraw/zinc/70/19/12/572701912.db2.gz SGUYLXCLUDNOBM-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN N#CCc1c(Cl)ncnc1C1CC1 214754669 572701923 /nfs/dbraw/zinc/70/19/23/572701923.db2.gz VWQUMIPHCNQVQF-UHFFFAOYSA-N 0 0 193.637 2.073 10 30 AEEERN C=C(C)/C=C/[C@H](O)C[C@@H](C)CCC=O 238421003 572701925 /nfs/dbraw/zinc/70/19/25/572701925.db2.gz CZBDLRLMXPQTFA-KZQRZKTQSA-N 0 0 196.290 2.485 10 30 AEEERN CC1=C[C@H](C)C[C@H]([C@@H](O)CC#N)C1 235313904 572701973 /nfs/dbraw/zinc/70/19/73/572701973.db2.gz SUGRFBCRPFYBFX-LSJOCFKGSA-N 0 0 179.263 2.253 10 30 AEEERN C=CCNc1cccc(F)c1[N+](=O)[O-] 48802013 572702041 /nfs/dbraw/zinc/70/20/41/572702041.db2.gz QHSMKDTZNPZGCZ-UHFFFAOYSA-N 0 0 196.181 2.332 10 30 AEEERN C=CCC(CO)(CO)CCCCC 117577838 572702188 /nfs/dbraw/zinc/70/21/88/572702188.db2.gz DNOFJKJVULSFED-UHFFFAOYSA-N 0 0 186.295 2.114 10 30 AEEERN N#Cc1ccc(C2(O)CC2)c(Cl)c1 214754511 572702415 /nfs/dbraw/zinc/70/24/15/572702415.db2.gz SXTYSVYNRIJYJC-UHFFFAOYSA-N 0 0 193.633 2.193 10 30 AEEERN CC1=CC(=O)[C@H]([C@H](C)CCCO)CC1 238422830 572702433 /nfs/dbraw/zinc/70/24/33/572702433.db2.gz VMWLEDMMYRAGCS-MNOVXSKESA-N 0 0 196.290 2.320 10 30 AEEERN C#CCCC(=O)c1cncc(Cl)c1 306532723 572702438 /nfs/dbraw/zinc/70/24/38/572702438.db2.gz MFUAHJXEOPPXCD-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN C=C[C@H](CCO)[C@H](C)CC 306584261 572702445 /nfs/dbraw/zinc/70/24/45/572702445.db2.gz JOOVYPDAMQXPAG-RKDXNWHRSA-N 0 0 142.242 2.217 10 30 AEEERN C=CCn1nc(C)c(CC)c1C 306500623 572702498 /nfs/dbraw/zinc/70/24/98/572702498.db2.gz YOPVPPJRWOPMCT-UHFFFAOYSA-N 0 0 164.252 2.248 10 30 AEEERN C=C[C@@H](O)[C@@H](C)C(=O)CC(C)(C)C=C 238422595 572702515 /nfs/dbraw/zinc/70/25/15/572702515.db2.gz FQROWMLKUSTBTB-NXEZZACHSA-N 0 0 196.290 2.341 10 30 AEEERN C=C(C)[C@@H]1OC(C)(C)C[C@]1(C)CO 306578010 572702518 /nfs/dbraw/zinc/70/25/18/572702518.db2.gz VRQDKWZVMQVQIG-GXSJLCMTSA-N 0 0 184.279 2.129 10 30 AEEERN CC1=CC(=O)[C@@H]([C@H](C)CCCO)CC1 238422886 572702524 /nfs/dbraw/zinc/70/25/24/572702524.db2.gz VMWLEDMMYRAGCS-GHMZBOCLSA-N 0 0 196.290 2.320 10 30 AEEERN CO[C@@H]1CCCC[C@]1(Cl)C#N 234801370 572702676 /nfs/dbraw/zinc/70/26/76/572702676.db2.gz SYDMXUQJXTUTIT-SFYZADRCSA-N 0 0 173.643 2.077 10 30 AEEERN C#CC[C@@]1(OCC=O)CCCC[C@@H]1C 238429516 572702704 /nfs/dbraw/zinc/70/27/04/572702704.db2.gz LFTJRAPZQFVRLQ-NWDGAFQWSA-N 0 0 194.274 2.174 10 30 AEEERN C=C[C@H](O)[C@H](C)C(=O)CC(C)(C)C=C 238428999 572702866 /nfs/dbraw/zinc/70/28/66/572702866.db2.gz FQROWMLKUSTBTB-UWVGGRQHSA-N 0 0 196.290 2.341 10 30 AEEERN C[C@H](O)CCCC#CCCC[C@H](C)O 238429144 572702891 /nfs/dbraw/zinc/70/28/91/572702891.db2.gz GKIGEQTVKVXADP-RYUDHWBXSA-N 0 0 198.306 2.092 10 30 AEEERN C[C@@H](O)CCC(C)(C)CCC#N 238429517 572702927 /nfs/dbraw/zinc/70/29/27/572702927.db2.gz NVJFRKTUFZZIPT-SECBINFHSA-N 0 0 169.268 2.477 10 30 AEEERN CC(C)=CC(=O)C=C=CCC[C@H](C)O 238429117 572702946 /nfs/dbraw/zinc/70/29/46/572702946.db2.gz ZVCDSKOJQKCETD-NSHDSACASA-N 0 0 194.274 2.076 10 30 AEEERN CO[C@H]1CCCC(=C(C)C)C1=O 196534666 572703007 /nfs/dbraw/zinc/70/30/07/572703007.db2.gz SWWMJMYEIAEBHK-VIFPVBQESA-N 0 0 168.236 2.091 10 30 AEEERN C=C[C@H](O)/C=C(\C)[Si](C)(C)C 307875916 572703353 /nfs/dbraw/zinc/70/33/53/572703353.db2.gz MYSJOSJJWROJJZ-FLOXNTQESA-N 0 0 170.328 2.357 10 30 AEEERN CO[C@@H]1CCCC(=C(C)C)C1=O 196534670 572703258 /nfs/dbraw/zinc/70/32/58/572703258.db2.gz SWWMJMYEIAEBHK-SECBINFHSA-N 0 0 168.236 2.091 10 30 AEEERN CCc1ccc(/C=C/C(C)=O)o1 70586467 572703287 /nfs/dbraw/zinc/70/32/87/572703287.db2.gz PNHGHEBWRYSIJU-SNAWJCMRSA-N 0 0 164.204 2.444 10 30 AEEERN O=C(C=Cc1ccccc1)CF 196538979 572703450 /nfs/dbraw/zinc/70/34/50/572703450.db2.gz IYSKRZMQGJRJDX-VOTSOKGWSA-N 0 0 164.179 2.238 10 30 AEEERN C=C[C@@H](O)/C=C(\C)[Si](C)(C)C 307875913 572703600 /nfs/dbraw/zinc/70/36/00/572703600.db2.gz MYSJOSJJWROJJZ-FCZSHJHJSA-N 0 0 170.328 2.357 10 30 AEEERN CC(=O)/C=C/c1cnc2ccccc2n1 70586465 572703687 /nfs/dbraw/zinc/70/36/87/572703687.db2.gz ICHOUCCWGSWNER-VOTSOKGWSA-N 0 0 198.225 2.232 10 30 AEEERN C=C(C)[C@@H]1CO[C@H]2CCCC[C@@]21CO 306675851 572703785 /nfs/dbraw/zinc/70/37/85/572703785.db2.gz UNPACMHYORWKIP-SRVKXCTJSA-N 0 0 196.290 2.130 10 30 AEEERN CC(=NO)c1sc(=S)[nH]c1C 307874548 572703797 /nfs/dbraw/zinc/70/37/97/572703797.db2.gz ZFYHJVSPWMVAQL-UHFFFAOYSA-N 0 0 188.277 2.312 10 30 AEEERN CCCCCCCP(O)O 196539507 572703970 /nfs/dbraw/zinc/70/39/70/572703970.db2.gz GOMIPKWIAFVTNJ-UHFFFAOYSA-N 0 0 164.185 2.253 10 30 AEEERN C=C1[C@H]2[C@H]3C(C)=C[C@]1(C)[C@H](O)[C@]32C 306653215 572703974 /nfs/dbraw/zinc/70/39/74/572703974.db2.gz URJZJMKUKVVRDA-WTPMCQDGSA-N 0 0 176.259 2.136 10 30 AEEERN C#CC(C)(C)NC(=O)[C@H](C)C(C)(C)C 306686282 572704014 /nfs/dbraw/zinc/70/40/14/572704014.db2.gz JZCYMESGQQMPCR-VIFPVBQESA-N 0 0 195.306 2.197 10 30 AEEERN C=CCC[C@]1(O)CCS[C@H]1C 307625487 572704024 /nfs/dbraw/zinc/70/40/24/572704024.db2.gz GMAKLYPNZFCTPE-IUCAKERBSA-N 0 0 172.293 2.209 10 30 AEEERN C#CCN[C@]1(C#N)CCCC[C@@H]1CC 70568517 572704758 /nfs/dbraw/zinc/70/47/58/572704758.db2.gz QSYQKSNXCSHRNC-RYUDHWBXSA-N 0 0 190.290 2.072 10 30 AEEERN C=CCC[C@]1(O)CCS[C@@H]1C 307625485 572704262 /nfs/dbraw/zinc/70/42/62/572704262.db2.gz GMAKLYPNZFCTPE-BDAKNGLRSA-N 0 0 172.293 2.209 10 30 AEEERN C=CCC(O)(CC=C)C[C@H](C)CCO 238433494 572704764 /nfs/dbraw/zinc/70/47/64/572704764.db2.gz GMVBLJWRLOZXOR-LLVKDONJSA-N 0 0 198.306 2.278 10 30 AEEERN CC(C)(C)NC1=CCCCC1=O 196537631 572704367 /nfs/dbraw/zinc/70/43/67/572704367.db2.gz VJOIADYDRYLQQC-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN C=C(CO)[C@@H](C)[C@H](O)C1CCCCC1 238434592 572704410 /nfs/dbraw/zinc/70/44/10/572704410.db2.gz UOXGHPVHUXGLSM-PWSUYJOCSA-N 0 0 198.306 2.112 10 30 AEEERN CC1=CC2(C=C(C)C1=O)CCCO2 196529819 572704470 /nfs/dbraw/zinc/70/44/70/572704470.db2.gz NSNLIRQTAINNJB-UHFFFAOYSA-N 0 0 178.231 2.011 10 30 AEEERN N#Cc1cc(Cl)ccc1C1(O)CC1 214754448 572704531 /nfs/dbraw/zinc/70/45/31/572704531.db2.gz LIJDJOXPSBJHLB-UHFFFAOYSA-N 0 0 193.633 2.193 10 30 AEEERN CCO/C=C\C(=O)c1csc(C)n1 308095166 572704553 /nfs/dbraw/zinc/70/45/53/572704553.db2.gz YWXUYZSXWKQGGP-PLNGDYQASA-N 0 0 197.259 2.184 10 30 AEEERN C[C@H](CCO)CC[C@]1(C)OC1(C)C 238434123 572704564 /nfs/dbraw/zinc/70/45/64/572704564.db2.gz MPCQJKFZSXXNBG-ONGXEEELSA-N 0 0 186.295 2.353 10 30 AEEERN Cc1ccc(/C=N/[C@H](C)CCO)cc1 238433000 572704665 /nfs/dbraw/zinc/70/46/65/572704665.db2.gz PDWISHSBSFNVON-VSXLWIIGSA-N 0 0 191.274 2.185 10 30 AEEERN CC(=O)/C=C/c1ccc2c(c1)CCO2 70586475 572704925 /nfs/dbraw/zinc/70/49/25/572704925.db2.gz TXCGGUBGDKVIPX-NSCUHMNNSA-N 0 0 188.226 2.224 10 30 AEEERN CCCCC(=O)/C=C/OCC 307874505 572704813 /nfs/dbraw/zinc/70/48/13/572704813.db2.gz TVAGPPMHNBNDOW-BQYQJAHWSA-N 0 0 156.225 2.296 10 30 AEEERN C=C[C@]1(CO)[C@H]2Cc3ccccc3[C@H]21 306638043 572704818 /nfs/dbraw/zinc/70/48/18/572704818.db2.gz BREFCQKVQRLAEJ-XQQFMLRXSA-N 0 0 186.254 2.121 10 30 AEEERN C=C[C@@H](O)[C@H](C)C(=O)CC(C)(C)C=C 238434678 572705125 /nfs/dbraw/zinc/70/51/25/572705125.db2.gz FQROWMLKUSTBTB-VHSXEESVSA-N 0 0 196.290 2.341 10 30 AEEERN CC(=O)/C=C/c1csc([N+](=O)[O-])c1 70586507 572705196 /nfs/dbraw/zinc/70/51/96/572705196.db2.gz DQGITWKIMGFALF-NSCUHMNNSA-N 0 0 197.215 2.259 10 30 AEEERN C[Si](C)(C)C#C[C@@H](O)c1ccco1 196531461 572705249 /nfs/dbraw/zinc/70/52/49/572705249.db2.gz MQBATZGWFQUCPR-SECBINFHSA-N 0 0 194.306 2.194 10 30 AEEERN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@H]1C 306646570 572705354 /nfs/dbraw/zinc/70/53/54/572705354.db2.gz CZUYJUUMDUMIDE-HLTSFMKQSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCC1=C[C@H](O)[C@H](C)CC1 306602401 572705406 /nfs/dbraw/zinc/70/54/06/572705406.db2.gz LJKNHARFCKQGIT-SCZZXKLOSA-N 0 0 152.237 2.280 10 30 AEEERN C#CCN[C@@]1(C#N)CCCC[C@H]1CC 70568518 572705433 /nfs/dbraw/zinc/70/54/33/572705433.db2.gz QSYQKSNXCSHRNC-VXGBXAGGSA-N 0 0 190.290 2.072 10 30 AEEERN C=CCC[C@@]1(O)CCS[C@H]1C 307625486 572705736 /nfs/dbraw/zinc/70/57/36/572705736.db2.gz GMAKLYPNZFCTPE-DTWKUNHWSA-N 0 0 172.293 2.209 10 30 AEEERN C#CCN[C@@]1(C#N)CCCC[C@@H]1CC 70568519 572705747 /nfs/dbraw/zinc/70/57/47/572705747.db2.gz QSYQKSNXCSHRNC-NWDGAFQWSA-N 0 0 190.290 2.072 10 30 AEEERN C=CCC[C@@]1(O)CCS[C@@H]1C 307625488 572705750 /nfs/dbraw/zinc/70/57/50/572705750.db2.gz GMAKLYPNZFCTPE-RKDXNWHRSA-N 0 0 172.293 2.209 10 30 AEEERN CC(=O)/C=C/c1ccc(N(C)C)s1 70586420 572705776 /nfs/dbraw/zinc/70/57/76/572705776.db2.gz CNXQKBKHZDCJLW-SNAWJCMRSA-N 0 0 195.287 2.416 10 30 AEEERN C[C@H]1C[C@H](C)C(CC=O)=C1CC=O 238433808 572705815 /nfs/dbraw/zinc/70/58/15/572705815.db2.gz ANVBEFQFZQVITQ-IUCAKERBSA-N 0 0 180.247 2.137 10 30 AEEERN CC#CCN(C)C/C(Cl)=C/Cl 306650306 572705826 /nfs/dbraw/zinc/70/58/26/572705826.db2.gz FIKOMCAYFMQRSY-VURMDHGXSA-N 0 0 192.089 2.261 10 30 AEEERN C=C[C@H]1[C@H]2C(=O)CCCC[C@@H]21 306600139 572706098 /nfs/dbraw/zinc/70/60/98/572706098.db2.gz ZGCLQUBBPHROFY-NQMVMOMDSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCc1cc(N)ccc1OCCF 87774156 572706830 /nfs/dbraw/zinc/70/68/30/572706830.db2.gz BSCIPASBADNNJR-UHFFFAOYSA-N 0 0 195.237 2.346 10 30 AEEERN CC1=C[C@H](C)C[C@H]([C@@H](C#N)N(C)C)C1 235312906 572707189 /nfs/dbraw/zinc/70/71/89/572707189.db2.gz QSRWVJXFDAIHMM-ZMLRMANQSA-N 0 0 192.306 2.433 10 30 AEEERN C=C[C@@H](C)[C@@H](O)CCc1ccco1 238435599 572707208 /nfs/dbraw/zinc/70/72/08/572707208.db2.gz GULVCWRDKLUAFW-KOLCDFICSA-N 0 0 180.247 2.395 10 30 AEEERN CO[C@]1(c2ccccc2)C[C@@H]1CC=O 238425317 572707499 /nfs/dbraw/zinc/70/74/99/572707499.db2.gz MAURYXYOJUEMMO-RYUDHWBXSA-N 0 0 190.242 2.137 10 30 AEEERN C#C[C@H](C(C)C)n1cccc1 301005423 572707511 /nfs/dbraw/zinc/70/75/11/572707511.db2.gz XTTMSVLCGKYRKC-SNVBAGLBSA-N 0 0 147.221 2.318 10 30 AEEERN CCCCC#C[C@H](C)[C@@H](C)O 306649717 572707819 /nfs/dbraw/zinc/70/78/19/572707819.db2.gz FEAXCGUGKFHBJC-VHSXEESVSA-N 0 0 154.253 2.197 10 30 AEEERN CC1=CC[C@@H](C)C=CCC1=O 238427389 572707835 /nfs/dbraw/zinc/70/78/35/572707835.db2.gz MDTMGNCBYITQNZ-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN CO[C@]1(c2ccccc2)C[C@H]1CC=O 238425356 572707916 /nfs/dbraw/zinc/70/79/16/572707916.db2.gz MAURYXYOJUEMMO-NEPJUHHUSA-N 0 0 190.242 2.137 10 30 AEEERN C=CCCC[C@H](O)C(C)C 70593708 572708036 /nfs/dbraw/zinc/70/80/36/572708036.db2.gz IAFXHXHWWRHBHY-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN CC(CCC(C)C)=NN(C)C 307878888 572708139 /nfs/dbraw/zinc/70/81/39/572708139.db2.gz PIXKPOWIVLXJPS-UHFFFAOYSA-N 0 0 156.273 2.360 10 30 AEEERN C=C[C@@H](C)[C@@H](O)Cc1ccco1 238435649 572708447 /nfs/dbraw/zinc/70/84/47/572708447.db2.gz WMQFWSYNFIYRJM-SCZZXKLOSA-N 0 0 166.220 2.005 10 30 AEEERN C=C[C@@H](C)[C@@H](O)Cc1cccs1 238435662 572708507 /nfs/dbraw/zinc/70/85/07/572708507.db2.gz LQWAYWKPQVLWLL-SCZZXKLOSA-N 0 0 182.288 2.474 10 30 AEEERN CO[C@@H]1CCC[C@](Cl)(C#N)C1 234800415 572708730 /nfs/dbraw/zinc/70/87/30/572708730.db2.gz NKKRJNQQVVIMSJ-HTQZYQBOSA-N 0 0 173.643 2.077 10 30 AEEERN C#CCC[C@@]1(O)CCCC12CCC2 306661396 572708846 /nfs/dbraw/zinc/70/88/46/572708846.db2.gz OBDFEKHYMXEYRE-GFCCVEGCSA-N 0 0 178.275 2.485 10 30 AEEERN CCC(C)=NN[C@H](C)C(F)F 307879649 572711508 /nfs/dbraw/zinc/71/15/08/572711508.db2.gz PNXCLBHBUXXJAQ-ZCFIWIBFSA-N 0 0 164.199 2.016 10 30 AEEERN CC#CCC[C@](C)(O)c1ccccn1 306649028 572709005 /nfs/dbraw/zinc/70/90/05/572709005.db2.gz DQMHPMCBFDVPOC-LBPRGKRZSA-N 0 0 189.258 2.093 10 30 AEEERN C=CCC#CCC(=C)C[C@@H](C)O 238426494 572709194 /nfs/dbraw/zinc/70/91/94/572709194.db2.gz NTFOAOTUUJYPHB-LLVKDONJSA-N 0 0 164.248 2.283 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1ccc(CO)cc1 238435773 572709457 /nfs/dbraw/zinc/70/94/57/572709457.db2.gz YMFKAMHQKFQAFX-BXKDBHETSA-N 0 0 192.258 2.034 10 30 AEEERN CC#C[C@@](C)(O)Cc1ccccc1 306686870 572709491 /nfs/dbraw/zinc/70/94/91/572709491.db2.gz GWMOHWURJAUANZ-GFCCVEGCSA-N 0 0 174.243 2.003 10 30 AEEERN CCON=Cc1ccc(CC)o1 308097088 572709681 /nfs/dbraw/zinc/70/96/81/572709681.db2.gz DMBZDGPGLRFZLU-UHFFFAOYSA-N 0 0 167.208 2.212 10 30 AEEERN C=CCC#CCC(=C)C[C@H](C)O 238424441 572709737 /nfs/dbraw/zinc/70/97/37/572709737.db2.gz NTFOAOTUUJYPHB-NSHDSACASA-N 0 0 164.248 2.283 10 30 AEEERN C#CC[C@]1(C)CCC[C@H](C)C1=O 196671894 572716293 /nfs/dbraw/zinc/71/62/93/572716293.db2.gz SVEZJRUTRMXOSU-GXSJLCMTSA-N 0 0 164.248 2.405 10 30 AEEERN C=C(C)[C@@H]1C=C[C@]2(C)C[C@@H](O)O[C@@H]2C1 306675603 572709824 /nfs/dbraw/zinc/70/98/24/572709824.db2.gz SWUDFWODVLBJNP-WISYIIOYSA-N 0 0 194.274 2.252 10 30 AEEERN COc1c(O)ccc2cc(C#N)ccc12 238435718 572709943 /nfs/dbraw/zinc/70/99/43/572709943.db2.gz XCCUKLSRQYWSRH-UHFFFAOYSA-N 0 0 199.209 2.426 10 30 AEEERN C=CCCCC[C@@H](C)O 70595319 572710037 /nfs/dbraw/zinc/71/00/37/572710037.db2.gz HSHUHVOEMVTVRS-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 endogenous,in-man AEEERN C=C[C@@H]1[C@@H]2CCCCC(=O)[C@@H]21 306600138 572710083 /nfs/dbraw/zinc/71/00/83/572710083.db2.gz ZGCLQUBBPHROFY-KHQFGBGNSA-N 0 0 150.221 2.178 10 30 AEEERN C#CCc1cc(C(F)(F)F)ccn1 306680690 572710125 /nfs/dbraw/zinc/71/01/25/572710125.db2.gz LSOGSMZFIVQAOO-UHFFFAOYSA-N 0 0 185.148 2.276 10 30 AEEERN N#CCCSc1ccc(N)cc1 70601869 572710228 /nfs/dbraw/zinc/71/02/28/572710228.db2.gz FCRPOAAWTBGJQR-UHFFFAOYSA-N 0 0 178.260 2.275 10 30 AEEERN C#CC(C)(C)NC(=O)[C@@H](C)C(C)(C)C 306686281 572710266 /nfs/dbraw/zinc/71/02/66/572710266.db2.gz JZCYMESGQQMPCR-SECBINFHSA-N 0 0 195.306 2.197 10 30 AEEERN C/C(=N/O)c1cccc(OCCF)c1 87775728 572710645 /nfs/dbraw/zinc/71/06/45/572710645.db2.gz PXNIGHHIFAWOPS-WQLSENKSSA-N 0 0 197.209 2.233 10 30 AEEERN C#CCNC1(C#N)CCC(C)(C)CC1 70623236 572711044 /nfs/dbraw/zinc/71/10/44/572711044.db2.gz IDJYMHUAGZCQIQ-UHFFFAOYSA-N 0 0 190.290 2.072 10 30 AEEERN C=CCSc1cc(NC)nc(C)n1 306654752 572711105 /nfs/dbraw/zinc/71/11/05/572711105.db2.gz WUYXIPZQSPFWNA-UHFFFAOYSA-N 0 0 195.291 2.105 10 30 AEEERN C=C[C@@](C)(O)c1ccsc1 306669245 572711149 /nfs/dbraw/zinc/71/11/49/572711149.db2.gz WREZLNXAFSHJKF-MRVPVSSYSA-N 0 0 154.234 2.142 10 30 AEEERN C/C(=N/O)c1ccc(OCCF)cc1 87775726 572711199 /nfs/dbraw/zinc/71/11/99/572711199.db2.gz ZMIABIHGSOMEHU-WQLSENKSSA-N 0 0 197.209 2.233 10 30 AEEERN C=C1CCN(c2ccccc2N)CC1 306654589 572711210 /nfs/dbraw/zinc/71/12/10/572711210.db2.gz HSMSNZLXSFJUFC-UHFFFAOYSA-N 0 0 188.274 2.425 10 30 AEEERN Cc1cc(F)c(C#CCCO)c(F)c1 306618794 572711216 /nfs/dbraw/zinc/71/12/16/572711216.db2.gz SNTHNOQRWBGBDC-UHFFFAOYSA-N 0 0 196.196 2.007 10 30 AEEERN C=C(C)[C@@H](O)c1sccc1F 306640753 572711353 /nfs/dbraw/zinc/71/13/53/572711353.db2.gz KRYYPVSDQIDEKT-SSDOTTSWSA-N 0 0 172.224 2.497 10 30 AEEERN C[C@@H](O)c1ccc(SCC#N)cc1 70621175 572711276 /nfs/dbraw/zinc/71/12/76/572711276.db2.gz ADCVPVVWPAISRM-MRVPVSSYSA-N 0 0 193.271 2.356 10 30 AEEERN C=C[C@](C)(O)c1ccsc1 306669246 572711363 /nfs/dbraw/zinc/71/13/63/572711363.db2.gz WREZLNXAFSHJKF-QMMMGPOBSA-N 0 0 154.234 2.142 10 30 AEEERN C=C[C@@H](C)[C@](C)(C=O)CCC(C)=O 238436335 572711580 /nfs/dbraw/zinc/71/15/80/572711580.db2.gz JJRGPIBNIVQTSX-KOLCDFICSA-N 0 0 182.263 2.383 10 30 AEEERN CCC(C)=NN[C@@H](C)C(F)F 307879647 572711585 /nfs/dbraw/zinc/71/15/85/572711585.db2.gz PNXCLBHBUXXJAQ-LURJTMIESA-N 0 0 164.199 2.016 10 30 AEEERN N#CCCN(CCF)c1ccccc1 87775454 572711714 /nfs/dbraw/zinc/71/17/14/572711714.db2.gz RMBPQMSMBABMDQ-UHFFFAOYSA-N 0 0 192.237 2.376 10 30 AEEERN C/C(=N/O)c1ccccc1OCCF 87775727 572711944 /nfs/dbraw/zinc/71/19/44/572711944.db2.gz STEBEXQFQXQBEM-WQLSENKSSA-N 0 0 197.209 2.233 10 30 AEEERN C[C@@H](C=O)CCOC(C)(C)C 238436314 572712445 /nfs/dbraw/zinc/71/24/45/572712445.db2.gz YVFNAKAVTALONY-MRVPVSSYSA-N 0 0 158.241 2.027 10 30 AEEERN CC(CC(=NO)c1ccccc1)=NO 254297274 572712446 /nfs/dbraw/zinc/71/24/46/572712446.db2.gz MGADDLLJANVMRF-UHFFFAOYSA-N 0 0 192.218 2.105 10 30 AEEERN C=CCC1=C[C@H](O)[C@@H](C)CC1 306602403 572712512 /nfs/dbraw/zinc/71/25/12/572712512.db2.gz LJKNHARFCKQGIT-WPRPVWTQSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@H](O)c1ccc(SCC#N)cc1 70621174 572712551 /nfs/dbraw/zinc/71/25/51/572712551.db2.gz ADCVPVVWPAISRM-QMMMGPOBSA-N 0 0 193.271 2.356 10 30 AEEERN N#CCc1ccc(OCCF)cc1 87775471 572712595 /nfs/dbraw/zinc/71/25/95/572712595.db2.gz AXKVODYGRNUHFC-UHFFFAOYSA-N 0 0 179.194 2.101 10 30 AEEERN CCC(C)(C)C=NNC1CC1 307880381 572712839 /nfs/dbraw/zinc/71/28/39/572712839.db2.gz QFGLDWHHPFHWRH-UHFFFAOYSA-N 0 0 154.257 2.160 10 30 AEEERN C=CCC[C@]1(O)C=CCCC1 306610573 572712863 /nfs/dbraw/zinc/71/28/63/572712863.db2.gz ARLYKSVKLQVTPW-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@H](C)[C@]1(C)[C@H](C)[C@H]1CO 306636590 572712871 /nfs/dbraw/zinc/71/28/71/572712871.db2.gz DZIGJSGTVUUIBG-SGIHWFKDSA-N 0 0 154.253 2.073 10 30 AEEERN N#C[C@H]1CC[C@H](c2ccccc2)C1=O 70627072 572712983 /nfs/dbraw/zinc/71/29/83/572712983.db2.gz UUGVMOODIWZSHJ-GHMZBOCLSA-N 0 0 185.226 2.273 10 30 AEEERN CCCc1oc(C)cc1C#N 77080352 572713084 /nfs/dbraw/zinc/71/30/84/572713084.db2.gz FFQPUCDWNDZKCH-UHFFFAOYSA-N 0 0 149.193 2.412 10 30 AEEERN N#C[C@@H]1CC[C@H](c2ccccc2)C1=O 70627076 572713114 /nfs/dbraw/zinc/71/31/14/572713114.db2.gz UUGVMOODIWZSHJ-WDEREUQCSA-N 0 0 185.226 2.273 10 30 AEEERN C=C[C@H](C)[C@]1(C)[C@@H](C)[C@@H]1CO 306636582 572713145 /nfs/dbraw/zinc/71/31/45/572713145.db2.gz DZIGJSGTVUUIBG-AATLWQCWSA-N 0 0 154.253 2.073 10 30 AEEERN C=C(C)[C@@H]1C[C@H]2O[C@@]2(C)[C@@H](O)C1(C)C 306658766 572713167 /nfs/dbraw/zinc/71/31/67/572713167.db2.gz ABBOKKOLSBFICI-MIZYBKAJSA-N 0 0 196.290 2.127 10 30 AEEERN N#C[C@@H]1CC[C@@H](c2ccccc2)C1=O 70627074 572713170 /nfs/dbraw/zinc/71/31/70/572713170.db2.gz UUGVMOODIWZSHJ-QWRGUYRKSA-N 0 0 185.226 2.273 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@H](C)[C@@H](C)C1 306670913 572713190 /nfs/dbraw/zinc/71/31/90/572713190.db2.gz YBRNEZJNHVOHFE-NHCYSSNCSA-N 0 0 198.306 2.376 10 30 AEEERN CCC[C@@H](C)OCCC[C@H]1CO1 308097643 572713264 /nfs/dbraw/zinc/71/32/64/572713264.db2.gz DXPCLXPVSOMFCK-ZJUUUORDSA-N 0 0 172.268 2.371 10 30 AEEERN C=CC[C@@]1(C)C(=O)CCCCC[C@H]1O 306656842 572713282 /nfs/dbraw/zinc/71/32/82/572713282.db2.gz JIQRLMTUOXJJRC-ZYHUDNBSSA-N 0 0 196.290 2.463 10 30 AEEERN C=CC[C@@H](C)[C@H](CO)C(C)C 307876855 572713443 /nfs/dbraw/zinc/71/34/43/572713443.db2.gz OBQYNFSGILIZNX-NXEZZACHSA-N 0 0 156.269 2.463 10 30 AEEERN C=C[C@@H]1CC[C@H](/C=C\CO)C1 307879996 572713448 /nfs/dbraw/zinc/71/34/48/572713448.db2.gz QYCSFVFBDAPGFI-QKMQQOOLSA-N 0 0 152.237 2.137 10 30 AEEERN C=C(C)CN(C)c1ccc(N)cc1F 306648097 572713469 /nfs/dbraw/zinc/71/34/69/572713469.db2.gz BGEHJVZVBOASLH-UHFFFAOYSA-N 0 0 194.253 2.420 10 30 AEEERN CC(=NO)c1cc2ccccn2c1 254313509 572713808 /nfs/dbraw/zinc/71/38/08/572713808.db2.gz UGUPGPCJFQOGJG-UHFFFAOYSA-N 0 0 174.203 2.138 10 30 AEEERN CCC[C@H](C)OCCC[C@@H]1CO1 308097642 572713814 /nfs/dbraw/zinc/71/38/14/572713814.db2.gz DXPCLXPVSOMFCK-VHSXEESVSA-N 0 0 172.268 2.371 10 30 AEEERN COCc1oc(C(C)C)cc1C#N 77086704 572713857 /nfs/dbraw/zinc/71/38/57/572713857.db2.gz RXQAIWXBNAGCBU-UHFFFAOYSA-N 0 0 179.219 2.421 10 30 AEEERN C=C[C@@H](C)[C@@H](CO)c1ccco1 238435098 572713874 /nfs/dbraw/zinc/71/38/74/572713874.db2.gz AIRUPLUWMBPWKN-RKDXNWHRSA-N 0 0 166.220 2.178 10 30 AEEERN Cc1cc(C#N)c(C2CC2)o1 77082420 572713886 /nfs/dbraw/zinc/71/38/86/572713886.db2.gz XKTKAECFUCRMLJ-UHFFFAOYSA-N 0 0 147.177 2.337 10 30 AEEERN C=C[C@@H]1CC[C@@H](/C=C\CO)C1 307879995 572713924 /nfs/dbraw/zinc/71/39/24/572713924.db2.gz QYCSFVFBDAPGFI-HWKXXFMVSA-N 0 0 152.237 2.137 10 30 AEEERN CC(C)(C)CCCOCCC=O 308097872 572714061 /nfs/dbraw/zinc/71/40/61/572714061.db2.gz DYUBJQFGUSGAQH-UHFFFAOYSA-N 0 0 172.268 2.418 10 30 AEEERN C[C@@H](C#N)CC[C@@H](O)C(C)(C)C 238437158 572714413 /nfs/dbraw/zinc/71/44/13/572714413.db2.gz MCOLBPRSMKSTSW-RKDXNWHRSA-N 0 0 169.268 2.333 10 30 AEEERN N#C[C@H]1CC[C@@H](c2ccccc2)C1=O 70627071 572714437 /nfs/dbraw/zinc/71/44/37/572714437.db2.gz UUGVMOODIWZSHJ-MNOVXSKESA-N 0 0 185.226 2.273 10 30 AEEERN CO/C=C/CCCCCCC#CCO 238435451 572714639 /nfs/dbraw/zinc/71/46/39/572714639.db2.gz BOVAHYWDZOPQAV-ZRDIBKRKSA-N 0 0 196.290 2.483 10 30 AEEERN C=C[C@H](C)[C@@H](O)/C=C/C=C\C 307878280 572714756 /nfs/dbraw/zinc/71/47/56/572714756.db2.gz OZOHPRJCLVSDLI-WTHXQKNQSA-N 0 0 152.237 2.302 10 30 AEEERN C=CCCC(C)=NNC1CC1 307881737 572715015 /nfs/dbraw/zinc/71/50/15/572715015.db2.gz QYOGMIMOLAEAMX-UHFFFAOYSA-N 0 0 152.241 2.081 10 30 AEEERN C=CC[C@@H]1Oc2ccccc2[C@@H]1O 306681573 572715020 /nfs/dbraw/zinc/71/50/20/572715020.db2.gz OIKBNOHOSZZNKY-QWRGUYRKSA-N 0 0 176.215 2.057 10 30 AEEERN C=CCNc1cc(N)cc(OCC)c1 87795580 572715028 /nfs/dbraw/zinc/71/50/28/572715028.db2.gz MWRWDHKXAMKTTQ-UHFFFAOYSA-N 0 0 192.262 2.265 10 30 AEEERN Cc1cc(C#N)c(C)c(O)c1C 21996674 572715080 /nfs/dbraw/zinc/71/50/80/572715080.db2.gz RFKGJCPWFTYNBI-UHFFFAOYSA-N 0 0 161.204 2.189 10 30 AEEERN CCO[C@H](/C(C)=C\Cl)[C@H](C)C=O 307877931 572715112 /nfs/dbraw/zinc/71/51/12/572715112.db2.gz BOURLKTYWAZQNI-XOPPAYCJSA-N 0 0 190.670 2.369 10 30 AEEERN C=C[C@H](O)CCCC/C=C/OC 238435499 572715221 /nfs/dbraw/zinc/71/52/21/572715221.db2.gz DGGVNPNGTCCZBJ-PCYYEKQGSA-N 0 0 170.252 2.254 10 30 AEEERN C=C(C)C1(O)CC(C)(C)C1 306658068 572715290 /nfs/dbraw/zinc/71/52/90/572715290.db2.gz NJWLXDDLSROHES-UHFFFAOYSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C\CC 307881021 572715323 /nfs/dbraw/zinc/71/53/23/572715323.db2.gz QMUUPSRZPQWYPN-NFXKFNAJSA-N 0 0 154.209 2.070 10 30 AEEERN CCO[C@H](/C(C)=C\Cl)[C@@H](C)C=O 307877930 572715498 /nfs/dbraw/zinc/71/54/98/572715498.db2.gz BOURLKTYWAZQNI-QRJDUPJOSA-N 0 0 190.670 2.369 10 30 AEEERN C#CCN[C@]1(C#N)CCCC(C)(C)C1 70629126 572715587 /nfs/dbraw/zinc/71/55/87/572715587.db2.gz OJUIZDYFXQFOLY-GFCCVEGCSA-N 0 0 190.290 2.072 10 30 AEEERN C=C[C@H](C)[C@H](O)/C=C/C=C\C 307877820 572715665 /nfs/dbraw/zinc/71/56/65/572715665.db2.gz OZOHPRJCLVSDLI-GBDIWWMRSA-N 0 0 152.237 2.302 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C/CC 307881018 572715772 /nfs/dbraw/zinc/71/57/72/572715772.db2.gz QMUUPSRZPQWYPN-CZEYKFRCSA-N 0 0 154.209 2.070 10 30 AEEERN CO/C=C/CCCCCC#CCO 238435427 572715859 /nfs/dbraw/zinc/71/58/59/572715859.db2.gz WEAZMOCINUBPOS-PKNBQFBNSA-N 0 0 182.263 2.093 10 30 AEEERN CCC(=O)[C@H](C#N)c1ccc(C#N)cc1 21994771 572715869 /nfs/dbraw/zinc/71/58/69/572715869.db2.gz DEYRHVXROOCCEO-LLVKDONJSA-N 0 0 198.225 2.145 10 30 AEEERN C=C(CC)COC(=O)/C=C/C 307877166 572715952 /nfs/dbraw/zinc/71/59/52/572715952.db2.gz OIDWZYYZTMNXSO-GQCTYLIASA-N 0 0 154.209 2.072 10 30 AEEERN C#CCN[C@@]1(C#N)CCCC(C)(C)C1 70629127 572716003 /nfs/dbraw/zinc/71/60/03/572716003.db2.gz OJUIZDYFXQFOLY-LBPRGKRZSA-N 0 0 190.290 2.072 10 30 AEEERN C=C(C)[C@H](O)CC[C@@H](C)CC(C)=O 238437202 572716119 /nfs/dbraw/zinc/71/61/19/572716119.db2.gz XRMSGXJAPQDHHQ-MWLCHTKSSA-N 0 0 184.279 2.319 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C/CC 307881019 572716250 /nfs/dbraw/zinc/71/62/50/572716250.db2.gz QMUUPSRZPQWYPN-HYDMIIDASA-N 0 0 154.209 2.070 10 30 AEEERN CCC(=O)[C@@H](C#N)c1ccc(C#N)cc1 21994768 572716359 /nfs/dbraw/zinc/71/63/59/572716359.db2.gz DEYRHVXROOCCEO-NSHDSACASA-N 0 0 198.225 2.145 10 30 AEEERN CCCCC(=CC(C)=O)NCC 307877382 572716453 /nfs/dbraw/zinc/71/64/53/572716453.db2.gz ZQNHJZTVZMKJFY-NTMALXAHSA-N 0 0 169.268 2.259 10 30 AEEERN CC[C@H](C)N[C@]1(C#N)CC[C@H](C)C1 70644747 572716579 /nfs/dbraw/zinc/71/65/79/572716579.db2.gz ABVLZWKSLDHAJH-GARJFASQSA-N 0 0 180.295 2.457 10 30 AEEERN C=C(C)[C@@H]1CO[C@@H]2CCCC[C@@]12CO 306675849 572716626 /nfs/dbraw/zinc/71/66/26/572716626.db2.gz UNPACMHYORWKIP-QJPTWQEYSA-N 0 0 196.290 2.130 10 30 AEEERN C=C/C=C(\C)[C@H](O)CC[C@@H](C)C=O 238437242 572716748 /nfs/dbraw/zinc/71/67/48/572716748.db2.gz BROOTNIPJCAKQS-KXNDTWRZSA-N 0 0 182.263 2.095 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C\CC 307881022 572716774 /nfs/dbraw/zinc/71/67/74/572716774.db2.gz QMUUPSRZPQWYPN-UAPHAKCISA-N 0 0 154.209 2.070 10 30 AEEERN C=C[C@@H]1C=CC[C@H]1[C@@H](O)CC 306638483 572716777 /nfs/dbraw/zinc/71/67/77/572716777.db2.gz CGZZKCKMPMVWPR-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN C=CC[C@@H]1CCC(=C)C[C@H]1O 306675763 572716808 /nfs/dbraw/zinc/71/68/08/572716808.db2.gz UHFMHJCODSXGPB-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=CCCCC/C=C/CO 21989663 572716817 /nfs/dbraw/zinc/71/68/17/572716817.db2.gz CCRUWKGRGWGPNE-BQYQJAHWSA-N 0 0 140.226 2.281 10 30 AEEERN CCN[C@]1(C#N)CC[C@@H](CC)C1 70644550 572716892 /nfs/dbraw/zinc/71/68/92/572716892.db2.gz GLBLEXASGOMWFU-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@@H](C)[C@@H](C)C1 306670914 572716983 /nfs/dbraw/zinc/71/69/83/572716983.db2.gz YBRNEZJNHVOHFE-SCVCMEIPSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(C)[C@@H]1CO[C@@H]2CCCC[C@]12CO 306675852 572717005 /nfs/dbraw/zinc/71/70/05/572717005.db2.gz UNPACMHYORWKIP-TUAOUCFPSA-N 0 0 196.290 2.130 10 30 AEEERN C=C[C@@H](O)CCCC/C=C/OC 238435512 572717063 /nfs/dbraw/zinc/71/70/63/572717063.db2.gz DGGVNPNGTCCZBJ-TTZKWOQHSA-N 0 0 170.252 2.254 10 30 AEEERN C=C(CC)COC(=O)/C=C\C 307877167 572717102 /nfs/dbraw/zinc/71/71/02/572717102.db2.gz OIDWZYYZTMNXSO-XQRVVYSFSA-N 0 0 154.209 2.072 10 30 AEEERN C=C[C@@H](O)/C=C/C(C)(C)C 221879468 572717123 /nfs/dbraw/zinc/71/71/23/572717123.db2.gz MBZKCPLUFLDISC-HYDMIIDASA-N 0 0 140.226 2.136 10 30 AEEERN C#CCCOc1cccc(F)c1C=O 236173230 572717184 /nfs/dbraw/zinc/71/71/84/572717184.db2.gz CRXZOMGAKJNBIE-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN CCN[C@@]1(C#N)CC[C@@H](CC)C1 70644552 572717213 /nfs/dbraw/zinc/71/72/13/572717213.db2.gz GLBLEXASGOMWFU-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)(NC(C)C)C1 70644566 572717240 /nfs/dbraw/zinc/71/72/40/572717240.db2.gz JERYOLZMBVGUGF-GHMZBOCLSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H]1CC[C@](C#N)(NC(C)C)C1 70644568 572717511 /nfs/dbraw/zinc/71/75/11/572717511.db2.gz JERYOLZMBVGUGF-MNOVXSKESA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H]1CC[C@](C#N)(NC(C)C)C1 70644569 572717583 /nfs/dbraw/zinc/71/75/83/572717583.db2.gz JERYOLZMBVGUGF-QWRGUYRKSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H](C=O)CC[C@H]1CCOC1(C)C 238438518 572717691 /nfs/dbraw/zinc/71/76/91/572717691.db2.gz WHINHGZWXIEYCX-ZJUUUORDSA-N 0 0 184.279 2.417 10 30 AEEERN CC(C)CN[C@@]1(C#N)CC[C@H](C)C1 70644593 572717697 /nfs/dbraw/zinc/71/76/97/572717697.db2.gz NKOIYPKBOVOJFM-QWRGUYRKSA-N 0 0 180.295 2.314 10 30 AEEERN C#C[C@@H](CC)[NH2+]C/C(C)=C\Cl 307881904 572717834 /nfs/dbraw/zinc/71/78/34/572717834.db2.gz SAWRGSMJLXZVBR-XZLDQRQTSA-N 0 0 171.671 2.130 10 30 AEEERN C[C@H](C=O)[C@H](C)C(C)(C)CC=O 238443082 572718006 /nfs/dbraw/zinc/71/80/06/572718006.db2.gz UFDUSFMSKFMYCC-BDAKNGLRSA-N 0 0 170.252 2.073 10 30 AEEERN C=CC[C@H](C)Nc1ccncc1C#N 306600689 572718080 /nfs/dbraw/zinc/71/80/80/572718080.db2.gz BUDVJXPVMJXKKM-VIFPVBQESA-N 0 0 187.246 2.330 10 30 AEEERN CCN[C@]1(C#N)CC[C@H](CC)C1 70644551 572718093 /nfs/dbraw/zinc/71/80/93/572718093.db2.gz GLBLEXASGOMWFU-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@@H](CC[C@@H](C)CC=O)C(C)(C)O 238437756 572718097 /nfs/dbraw/zinc/71/80/97/572718097.db2.gz ITTXCNTYNYSBEU-ZJUUUORDSA-N 0 0 186.295 2.399 10 30 AEEERN C=C(C)[C@@H](O)CC[C@@H](C)CC(C)=O 238438141 572718186 /nfs/dbraw/zinc/71/81/86/572718186.db2.gz XRMSGXJAPQDHHQ-KOLCDFICSA-N 0 0 184.279 2.319 10 30 AEEERN C=C(C)CN(C)c1c(N)cccc1F 306666237 572718256 /nfs/dbraw/zinc/71/82/56/572718256.db2.gz UZGNCHOVXVBRCK-UHFFFAOYSA-N 0 0 194.253 2.420 10 30 AEEERN C[C@@H](C#N)COc1ccc(C=O)cc1 238441386 572718767 /nfs/dbraw/zinc/71/87/67/572718767.db2.gz MZTZIXOFVIZCTJ-VIFPVBQESA-N 0 0 189.214 2.038 10 30 AEEERN CC#C[C@H](O)[C@H](C)C(C)(C)C 306691375 572718445 /nfs/dbraw/zinc/71/84/45/572718445.db2.gz NUOCXGRXOPKJTI-IUCAKERBSA-N 0 0 154.253 2.053 10 30 AEEERN C=C1CCC[C@]2(C)CCO[C@H](O)C[C@H]12 306691864 572718475 /nfs/dbraw/zinc/71/84/75/572718475.db2.gz ONAIMDPFJYXXLF-GRYCIOLGSA-N 0 0 196.290 2.478 10 30 AEEERN CC(=O)/C=C/[C@H](C)[C@@H](O)c1ccco1 238437819 572718483 /nfs/dbraw/zinc/71/84/83/572718483.db2.gz QCEOKVUKKDOLIQ-PHTUBKJSSA-N 0 0 194.230 2.094 10 30 AEEERN C[C@H](C=O)[C@@H](C)C(C)(C)CC=O 238441346 572718592 /nfs/dbraw/zinc/71/85/92/572718592.db2.gz UFDUSFMSKFMYCC-RKDXNWHRSA-N 0 0 170.252 2.073 10 30 AEEERN C=C[C@@H](C)[C@@](C)(C=O)CCC(C)=O 238438332 572718711 /nfs/dbraw/zinc/71/87/11/572718711.db2.gz JJRGPIBNIVQTSX-MWLCHTKSSA-N 0 0 182.263 2.383 10 30 AEEERN CC[C@H](C#N)NC[C@@]1(C)CCCS1 87793436 572718730 /nfs/dbraw/zinc/71/87/30/572718730.db2.gz BJVWOPQVQFXVTQ-NXEZZACHSA-N 0 0 198.335 2.164 10 30 AEEERN CC(=O)[C@H](C)CC[C@@H]1OC1(C)C 238437579 572720617 /nfs/dbraw/zinc/72/06/17/572720617.db2.gz NJWNABURHSJTJA-APPZFPTMSA-N 0 0 170.252 2.169 10 30 AEEERN C/C(=C/[C@@H](C)O)c1ccc(C#N)cc1 235230336 572718773 /nfs/dbraw/zinc/71/87/73/572718773.db2.gz JXDVJHRWNFYMCR-UJICNMFASA-N 0 0 187.242 2.342 10 30 AEEERN C[C@@H](C=O)COCC[Si](C)(C)C 238440510 572718800 /nfs/dbraw/zinc/71/88/00/572718800.db2.gz FKBYPXKLYWWOJZ-VIFPVBQESA-N 0 0 188.343 2.176 10 30 AEEERN C[C@@H](C=O)COC1CCCCC1 238440158 572718852 /nfs/dbraw/zinc/71/88/52/572718852.db2.gz WHLLZLZKZFXFOW-VIFPVBQESA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@@H](C#N)NC[C@]1(C)CCCS1 87793433 572718918 /nfs/dbraw/zinc/71/89/18/572718918.db2.gz BJVWOPQVQFXVTQ-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN C#CCCCCCC[C@H](C)O 307881922 572718955 /nfs/dbraw/zinc/71/89/55/572718955.db2.gz SFPUVLXKNNSWQF-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C=CCCOC(=O)C1CCCC1 308098675 572718986 /nfs/dbraw/zinc/71/89/86/572718986.db2.gz FKUWGUJMZQFDKS-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CC(C)=CCC[C@](C)(O)[C@H](C)C=O 238442977 572719011 /nfs/dbraw/zinc/71/90/11/572719011.db2.gz MZAYZPFNOIWXSB-MNOVXSKESA-N 0 0 184.279 2.319 10 30 AEEERN C=CCOc1cccc(F)c1C=O 236173076 572719024 /nfs/dbraw/zinc/71/90/24/572719024.db2.gz BTYCEGQSHNWZBY-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C[C@@H](C#N)CC[C@H](O)C(C)(C)C 238438088 572719038 /nfs/dbraw/zinc/71/90/38/572719038.db2.gz MCOLBPRSMKSTSW-BDAKNGLRSA-N 0 0 169.268 2.333 10 30 AEEERN O=C1C(=NO)CCCc2ccccc21 253677901 572719082 /nfs/dbraw/zinc/71/90/82/572719082.db2.gz NLMLFECVGLNYHO-UHFFFAOYSA-N 0 0 189.214 2.036 10 30 AEEERN CC[C@H](C)N[C@@]1(C#N)CC[C@H](C)C1 70644749 572719173 /nfs/dbraw/zinc/71/91/73/572719173.db2.gz ABVLZWKSLDHAJH-DCAQKATOSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)CN[C@]1(C#N)CC[C@@H](C)C1 70644590 572719314 /nfs/dbraw/zinc/71/93/14/572719314.db2.gz NKOIYPKBOVOJFM-GHMZBOCLSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)CN[C@]1(C#N)CC[C@H](C)C1 70644591 572719381 /nfs/dbraw/zinc/71/93/81/572719381.db2.gz NKOIYPKBOVOJFM-WDEREUQCSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H](C#N)NC[C@@]1(C)CCCS1 87793435 572719394 /nfs/dbraw/zinc/71/93/94/572719394.db2.gz BJVWOPQVQFXVTQ-VHSXEESVSA-N 0 0 198.335 2.164 10 30 AEEERN C=C(C)[C@H](O)c1sccc1F 306640754 572719510 /nfs/dbraw/zinc/71/95/10/572719510.db2.gz KRYYPVSDQIDEKT-ZETCQYMHSA-N 0 0 172.224 2.497 10 30 AEEERN C#CC[C@]1(OCC=O)CCCC[C@@H]1C 238438924 572719517 /nfs/dbraw/zinc/71/95/17/572719517.db2.gz LFTJRAPZQFVRLQ-RYUDHWBXSA-N 0 0 194.274 2.174 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@@H](C)[C@H](C)C1 306670912 572719584 /nfs/dbraw/zinc/71/95/84/572719584.db2.gz YBRNEZJNHVOHFE-FOGDFJRCSA-N 0 0 198.306 2.376 10 30 AEEERN CC1=C[C@@H](C)C=CC(=O)CC1 238442585 572719613 /nfs/dbraw/zinc/71/96/13/572719613.db2.gz QRJSBFRJPKOMIT-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@H]1CC[C@@](C#N)(NC(C)C)C1 70644567 572719636 /nfs/dbraw/zinc/71/96/36/572719636.db2.gz JERYOLZMBVGUGF-WDEREUQCSA-N 0 0 180.295 2.457 10 30 AEEERN CCN[C@@]1(C#N)CC[C@H](CC)C1 70644553 572719704 /nfs/dbraw/zinc/71/97/04/572719704.db2.gz GLBLEXASGOMWFU-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN C=CC[C@@H]1[C@H](O)C[C@@H]2[C@@H](C)C=C[C@H]12 306686454 572719722 /nfs/dbraw/zinc/71/97/22/572719722.db2.gz GHVIBPMKYIFOBE-RNWYCLNJSA-N 0 0 178.275 2.382 10 30 AEEERN C=CCCC1([C@@H](C)O)CC1 235230239 572720068 /nfs/dbraw/zinc/72/00/68/572720068.db2.gz QBJWGDJSSFEZDI-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCOc1cccc(C=O)c1OC 238441526 572719805 /nfs/dbraw/zinc/71/98/05/572719805.db2.gz TYKZNGXGSUBAOT-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN C=CCOc1ccc([C@H](C)CO)cc1 238438716 572719872 /nfs/dbraw/zinc/71/98/72/572719872.db2.gz PBIYKKMEJWCOCN-SNVBAGLBSA-N 0 0 192.258 2.347 10 30 AEEERN C#C[C@H](CC)[NH2+]C/C(C)=C\Cl 307881903 572719913 /nfs/dbraw/zinc/71/99/13/572719913.db2.gz SAWRGSMJLXZVBR-JGAIRUGNSA-N 0 0 171.671 2.130 10 30 AEEERN N#C[C@@H]1CCCN1Cc1ccsc1 70662295 572720078 /nfs/dbraw/zinc/72/00/78/572720078.db2.gz PGGKSNORNUWXHO-JTQLQIEISA-N 0 0 192.287 2.236 10 30 AEEERN C=CC[C@@H](CC[C@@H](C)C=O)OC(C)=O 238437896 572720003 /nfs/dbraw/zinc/72/00/03/572720003.db2.gz ZIIVBXPJTCQOLE-KOLCDFICSA-N 0 0 198.262 2.109 10 30 AEEERN C#CCCCCCC[C@@H](C)O 307881923 572720295 /nfs/dbraw/zinc/72/02/95/572720295.db2.gz SFPUVLXKNNSWQF-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C=CCCc1ccc([C@H](C)CO)o1 238438634 572720304 /nfs/dbraw/zinc/72/03/04/572720304.db2.gz LOKOIJGZDUSMDL-SECBINFHSA-N 0 0 180.247 2.494 10 30 AEEERN C=CC[C@@H]1CC[C@@H](C)[C@@H](CC=O)O1 238442017 572720398 /nfs/dbraw/zinc/72/03/98/572720398.db2.gz MRPOSKROCJPPBJ-GMTAPVOTSA-N 0 0 182.263 2.335 10 30 AEEERN CC(=O)[C@H](C)CC[C@H]1OC1(C)C 238438626 572720516 /nfs/dbraw/zinc/72/05/16/572720516.db2.gz NJWNABURHSJTJA-VXNVDRBHSA-N 0 0 170.252 2.169 10 30 AEEERN C=C[C@@H](C)[C@H](O)CCc1ccco1 238437488 572720655 /nfs/dbraw/zinc/72/06/55/572720655.db2.gz GULVCWRDKLUAFW-MWLCHTKSSA-N 0 0 180.247 2.395 10 30 AEEERN CC(=O)/C=C/[C@H](C)[C@H](O)c1ccco1 238437833 572720551 /nfs/dbraw/zinc/72/05/51/572720551.db2.gz QCEOKVUKKDOLIQ-QWHXQGDASA-N 0 0 194.230 2.094 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1ccc(CO)cc1 238437659 572720578 /nfs/dbraw/zinc/72/05/78/572720578.db2.gz YMFKAMHQKFQAFX-SKDRFNHKSA-N 0 0 192.258 2.034 10 30 AEEERN COc1ccccc1/C=C/C=NO 254318758 572720597 /nfs/dbraw/zinc/72/05/97/572720597.db2.gz HPWPSNRSGWXWFN-BXLJZCKOSA-N 0 0 177.203 2.168 10 30 AEEERN C=C[C@H](C)C[C@@H](C)/C=C/CO 238445718 572721569 /nfs/dbraw/zinc/72/15/69/572721569.db2.gz ZZSHUIVMMUMNFT-QEBMPYFUSA-N 0 0 154.253 2.383 10 30 AEEERN C=C1CCC[C@]2(C)CCO[C@H](O)C[C@@H]12 306681628 572721129 /nfs/dbraw/zinc/72/11/29/572721129.db2.gz ONAIMDPFJYXXLF-SDDRHHMPSA-N 0 0 196.290 2.478 10 30 AEEERN C=CC[C@@H]1CCC(=C)C[C@@H]1O 306675766 572721136 /nfs/dbraw/zinc/72/11/36/572721136.db2.gz UHFMHJCODSXGPB-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN CC(CCCC(F)(F)F)=NN 307884644 572721380 /nfs/dbraw/zinc/72/13/80/572721380.db2.gz UAAOEVPIMCUZSZ-UHFFFAOYSA-N 0 0 168.162 2.054 10 30 AEEERN C=CC[C@@H]1CCCCN1C(=O)CC 308099637 572721458 /nfs/dbraw/zinc/72/14/58/572721458.db2.gz BNGZBEODNCIIGB-SNVBAGLBSA-N 0 0 181.279 2.354 10 30 AEEERN C[C@H](O)c1cc(C#N)c2ccccc2n1 238445831 572721459 /nfs/dbraw/zinc/72/14/59/572721459.db2.gz BKZRUFPCVDFYOA-QMMMGPOBSA-N 0 0 198.225 2.160 10 30 AEEERN C[C@H]([NH3+])c1ccc2cc(C#N)ccc2n1 238445816 572721524 /nfs/dbraw/zinc/72/15/24/572721524.db2.gz WCECREDHAJRMCK-QMMMGPOBSA-N 0 0 197.241 2.126 10 30 AEEERN COc1ccccc1/C=C\C=NO 254318760 572721578 /nfs/dbraw/zinc/72/15/78/572721578.db2.gz HPWPSNRSGWXWFN-RTRXGCAWSA-N 0 0 177.203 2.168 10 30 AEEERN C[C@@H]1CC[C@@H](c2noc(CC#N)n2)C1 235320798 572721856 /nfs/dbraw/zinc/72/18/56/572721856.db2.gz MQYBTOHHNHVARG-HTQZYQBOSA-N 0 0 191.234 2.039 10 30 AEEERN Cc1ccc(CN2CCC[C@H]2C#N)o1 70662291 572721888 /nfs/dbraw/zinc/72/18/88/572721888.db2.gz LKISSTBVCQZEIJ-JTQLQIEISA-N 0 0 190.246 2.076 10 30 AEEERN C[C@H]([NH3+])c1ccc2cccc(C#N)c2n1 238446023 572721903 /nfs/dbraw/zinc/72/19/03/572721903.db2.gz RLFGWQUSKHUHMT-QMMMGPOBSA-N 0 0 197.241 2.126 10 30 AEEERN C=CCN[C@@](C)(C#N)c1ccccc1 238436961 572722287 /nfs/dbraw/zinc/72/22/87/572722287.db2.gz ORYNVXJJGKKMMF-LBPRGKRZSA-N 0 0 186.258 2.201 10 30 AEEERN CCC(Cc1cccs1)=NN 307884581 572722225 /nfs/dbraw/zinc/72/22/25/572722225.db2.gz TVESCYVIBLHMTJ-UHFFFAOYSA-N 0 0 168.265 2.015 10 30 AEEERN C=C[C@@H](C)[C@H](CO)c1ccco1 238436928 572722301 /nfs/dbraw/zinc/72/23/01/572722301.db2.gz AIRUPLUWMBPWKN-BDAKNGLRSA-N 0 0 166.220 2.178 10 30 AEEERN C=C[C@@H]1[C@@H](CC)[C@H]1C(C)=O 306663285 572722688 /nfs/dbraw/zinc/72/26/88/572722688.db2.gz QNSJVJZTBFGHRR-HLTSFMKQSA-N 0 0 138.210 2.034 10 30 AEEERN C[C@@H]1c2ccccc2[C@@H]2CCN[C@]21C#N 238451933 572722721 /nfs/dbraw/zinc/72/27/21/572722721.db2.gz HWJZXPNNXXHZGZ-ICCXJUOJSA-N 0 0 198.269 2.143 10 30 AEEERN Cc1ccc(CN2CCC[C@@H]2C#N)o1 70662290 572722924 /nfs/dbraw/zinc/72/29/24/572722924.db2.gz LKISSTBVCQZEIJ-SNVBAGLBSA-N 0 0 190.246 2.076 10 30 AEEERN C=C(C)[C@H]1CC[C@@H](C)[C@@H]1CO 306680846 572722954 /nfs/dbraw/zinc/72/29/54/572722954.db2.gz MJJQXHAJOZSAFP-BBBLOLIVSA-N 0 0 154.253 2.217 10 30 AEEERN N#C[C@H]1CCCN1Cc1ccsc1 70662294 572722969 /nfs/dbraw/zinc/72/29/69/572722969.db2.gz PGGKSNORNUWXHO-SNVBAGLBSA-N 0 0 192.287 2.236 10 30 AEEERN Cc1cccc2c(CC(=O)C#N)c[nH]c12 238453241 572723335 /nfs/dbraw/zinc/72/33/35/572723335.db2.gz LWHARJALPAOPCS-UHFFFAOYSA-N 0 0 198.225 2.112 10 30 AEEERN C[C@@H](C=O)OCc1ccc(Cl)cc1 238462599 572723568 /nfs/dbraw/zinc/72/35/68/572723568.db2.gz IYXMBAFKBZKGPH-QMMMGPOBSA-N 0 0 198.649 2.444 10 30 AEEERN C=CO[C@@](C)(C=O)c1ccccc1 238452644 572723581 /nfs/dbraw/zinc/72/35/81/572723581.db2.gz HHVSMNITJDLRDK-NSHDSACASA-N 0 0 176.215 2.261 10 30 AEEERN CC[C@H](C)CN1CCC[C@@H]1C#N 70662486 572723627 /nfs/dbraw/zinc/72/36/27/572723627.db2.gz FIYIUCIILXXYJL-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN COc1cc(C#N)c2ccccc2c1N 238456996 572723669 /nfs/dbraw/zinc/72/36/69/572723669.db2.gz MVZGVKAETRKZEQ-UHFFFAOYSA-N 0 0 198.225 2.302 10 30 AEEERN C[C@]1(COc2ccccc2)C[C@@H]1C=O 238456232 572723671 /nfs/dbraw/zinc/72/36/71/572723671.db2.gz HXMKTNVDWFIAHR-ZYHUDNBSSA-N 0 0 190.242 2.291 10 30 AEEERN N#C[C@@H]1CCCCN1C/C=C/Cl 70662631 572723697 /nfs/dbraw/zinc/72/36/97/572723697.db2.gz XBQWAFBEGAOZEZ-SGRBOOSSSA-N 0 0 184.670 2.117 10 30 AEEERN C=C1[C@H](O)C[C@H]2CCCC[C@@H]12 306669029 572723706 /nfs/dbraw/zinc/72/37/06/572723706.db2.gz KSBPJRHWHXJLCW-KXUCPTDWSA-N 0 0 152.237 2.114 10 30 AEEERN C=C(CCCc1ccccc1)C(N)=O 196677798 572723772 /nfs/dbraw/zinc/72/37/72/572723772.db2.gz GYMOIKZIQKOVQX-UHFFFAOYSA-N 0 0 189.258 2.051 10 30 AEEERN N#C[C@H]1CCCCN1C/C=C/Cl 70662632 572723774 /nfs/dbraw/zinc/72/37/74/572723774.db2.gz XBQWAFBEGAOZEZ-HYYFJVDXSA-N 0 0 184.670 2.117 10 30 AEEERN CC[C@@H](C)CN1CCC[C@@H]1C#N 70662485 572723841 /nfs/dbraw/zinc/72/38/41/572723841.db2.gz FIYIUCIILXXYJL-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1ccc(N(C)C[C@@H](C)C=O)cc1 238457777 572723869 /nfs/dbraw/zinc/72/38/69/572723869.db2.gz YELVIEAUTORZNA-LLVKDONJSA-N 0 0 191.274 2.266 10 30 AEEERN C#CCC/C=C/C[C@@H](C)C=O 238453867 572723882 /nfs/dbraw/zinc/72/38/82/572723882.db2.gz SDPYFZNLNWSLRS-VQCYPWCPSA-N 0 0 150.221 2.181 10 30 AEEERN C[C@@H]1c2ccccc2[C@H]2CCN[C@@]12C#N 238451966 572724142 /nfs/dbraw/zinc/72/41/42/572724142.db2.gz HWJZXPNNXXHZGZ-WQAKAFBOSA-N 0 0 198.269 2.143 10 30 AEEERN CCOCc1ccc(OC)c(C#N)c1 83730366 572724223 /nfs/dbraw/zinc/72/42/23/572724223.db2.gz JUZAJEJTDRMTTD-UHFFFAOYSA-N 0 0 191.230 2.103 10 30 AEEERN C=C[C@]1(C)C[C@@H]1[C@H](O)C(=C)C 306691048 572724532 /nfs/dbraw/zinc/72/45/32/572724532.db2.gz NGPIIVKUVBIKLG-OPRDCNLKSA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@H](C)[C@@]1(C)[C@@H](CO)[C@H]1C 306636587 572724571 /nfs/dbraw/zinc/72/45/71/572724571.db2.gz DZIGJSGTVUUIBG-QCLAVDOMSA-N 0 0 154.253 2.073 10 30 AEEERN COc1ccc(C2(CC=O)CC2)cc1 117629042 572724610 /nfs/dbraw/zinc/72/46/10/572724610.db2.gz LKGOJYQHUKSPMT-UHFFFAOYSA-N 0 0 190.242 2.316 10 30 AEEERN C[C@]1(COc2ccccc2)C[C@H]1C=O 238456271 572724664 /nfs/dbraw/zinc/72/46/64/572724664.db2.gz HXMKTNVDWFIAHR-CMPLNLGQSA-N 0 0 190.242 2.291 10 30 AEEERN CON=CCC(=O)c1ccc(F)cc1 254341176 572724700 /nfs/dbraw/zinc/72/47/00/572724700.db2.gz NKVLWAIDCQYCMN-UHFFFAOYSA-N 0 0 195.193 2.031 10 30 AEEERN C=CC[C@@H](C)Nc1ccncc1C#N 306600682 572724722 /nfs/dbraw/zinc/72/47/22/572724722.db2.gz BUDVJXPVMJXKKM-SECBINFHSA-N 0 0 187.246 2.330 10 30 AEEERN Cc1nn(CCCC#N)cc1Cl 70689313 572724827 /nfs/dbraw/zinc/72/48/27/572724827.db2.gz ISWFEGBSPPFKBR-UHFFFAOYSA-N 0 0 183.642 2.149 10 30 AEEERN CC[C@@H](C#N)n1cc(Cl)c(C)n1 70689308 572724879 /nfs/dbraw/zinc/72/48/79/572724879.db2.gz WAYRMDDZVIPDDI-ZETCQYMHSA-N 0 0 183.642 2.320 10 30 AEEERN C[C@H](C[C@H]1CO1)C(=O)C(C)(C)C 238451989 572724991 /nfs/dbraw/zinc/72/49/91/572724991.db2.gz OMXRFNQVLSQWCQ-SFYZADRCSA-N 0 0 170.252 2.027 10 30 AEEERN CN(C)[C@]1(C#N)CCCC(C)(C)C1 70684395 572725196 /nfs/dbraw/zinc/72/51/96/572725196.db2.gz KBUKEVMWNSXKSP-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN NN=CCCC1CCCCC1 254394826 572725204 /nfs/dbraw/zinc/72/52/04/572725204.db2.gz SKEHYRXONZOXFR-UHFFFAOYSA-N 0 0 154.257 2.291 10 30 AEEERN C=CCC1=C[C@@H](O)[C@H](C)CC1 306602400 572725343 /nfs/dbraw/zinc/72/53/43/572725343.db2.gz LJKNHARFCKQGIT-PSASIEDQSA-N 0 0 152.237 2.280 10 30 AEEERN COc1cccc2c1[C@H](C)CC2=NO 714539499 572725353 /nfs/dbraw/zinc/72/53/53/572725353.db2.gz ABOYSPKCEAXUJC-SSDOTTSWSA-N 0 0 191.230 2.381 10 30 AEEERN CC#CCNc1ccccc1[C@H](C)O 306655824 572725416 /nfs/dbraw/zinc/72/54/16/572725416.db2.gz YXLKRQYEZYJEMD-JTQLQIEISA-N 0 0 189.258 2.175 10 30 AEEERN CC#C[C@H](O)[C@@H](C)C(C)(C)C 306691373 572725434 /nfs/dbraw/zinc/72/54/34/572725434.db2.gz NUOCXGRXOPKJTI-BDAKNGLRSA-N 0 0 154.253 2.053 10 30 AEEERN Cc1cccc2[nH]cc(CC(=O)C#N)c12 238451300 572725446 /nfs/dbraw/zinc/72/54/46/572725446.db2.gz IMYOMFXJBYXFOD-UHFFFAOYSA-N 0 0 198.225 2.112 10 30 AEEERN C=CC1=C[C@@H](OCC=O)C[C@@H](C)C1 238456917 572725471 /nfs/dbraw/zinc/72/54/71/572725471.db2.gz AFZJVPRWSKCRIO-ONGXEEELSA-N 0 0 180.247 2.113 10 30 AEEERN Cc1cccc2[nH]c([C@@H](N)CC#N)cc12 238451141 572725529 /nfs/dbraw/zinc/72/55/29/572725529.db2.gz SAKRCIQBYMEYAO-JTQLQIEISA-N 0 0 199.257 2.390 10 30 AEEERN C=C[C@@H]1[C@H](CC)[C@H]1C(C)=O 306663286 572725546 /nfs/dbraw/zinc/72/55/46/572725546.db2.gz QNSJVJZTBFGHRR-VGMNWLOBSA-N 0 0 138.210 2.034 10 30 AEEERN C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C[C@H]2C1 306642937 572725550 /nfs/dbraw/zinc/72/55/50/572725550.db2.gz VJCJFHXSPMGNOA-ZNSHCXBVSA-N 0 0 166.264 2.360 10 30 AEEERN CC[C@H](C#N)n1cc(Cl)c(C)n1 70689311 572725594 /nfs/dbraw/zinc/72/55/94/572725594.db2.gz WAYRMDDZVIPDDI-SSDOTTSWSA-N 0 0 183.642 2.320 10 30 AEEERN C=CC[C@@]1(C[C@H](C)O)CCCCC1=O 238451295 572725597 /nfs/dbraw/zinc/72/55/97/572725597.db2.gz XRELIHLSVGHLFM-JQWIXIFHSA-N 0 0 196.290 2.463 10 30 AEEERN CC(C)(C)CCOCCC#N 85319415 572725612 /nfs/dbraw/zinc/72/56/12/572725612.db2.gz UXMSHVBQJXUJOJ-UHFFFAOYSA-N 0 0 155.241 2.353 10 30 AEEERN Cc1ccc(C[C@@H](C)NCC#N)cc1 238458066 572726238 /nfs/dbraw/zinc/72/62/38/572726238.db2.gz AEXYJLPVJRVYPK-LLVKDONJSA-N 0 0 188.274 2.039 10 30 AEEERN C=CCOC(=O)CCC1CCC1 308104950 572726282 /nfs/dbraw/zinc/72/62/82/572726282.db2.gz HLXIGLAPDSDCJB-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN Cc1nn(C[C@H](C)C#N)cc1Cl 70689290 572726554 /nfs/dbraw/zinc/72/65/54/572726554.db2.gz SODGFKXCWKCHJQ-ZCFIWIBFSA-N 0 0 183.642 2.005 10 30 AEEERN CN(C)[C@@]1(C#N)CCCC(C)(C)C1 70684398 572726671 /nfs/dbraw/zinc/72/66/71/572726671.db2.gz KBUKEVMWNSXKSP-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN COc1cccc2c1[C@@H](C)CC2=NO 714539503 572726701 /nfs/dbraw/zinc/72/67/01/572726701.db2.gz ABOYSPKCEAXUJC-ZETCQYMHSA-N 0 0 191.230 2.381 10 30 AEEERN CCC(C)(C)OCCC[C@@H]1CO1 308105086 572726755 /nfs/dbraw/zinc/72/67/55/572726755.db2.gz HQSHZSHTOONRJS-SECBINFHSA-N 0 0 172.268 2.371 10 30 AEEERN Cc1nn(C[C@@H](C)C#N)cc1Cl 70689287 572726763 /nfs/dbraw/zinc/72/67/63/572726763.db2.gz SODGFKXCWKCHJQ-LURJTMIESA-N 0 0 183.642 2.005 10 30 AEEERN Cc1oc2c(c1CC#N)CCC2 77089510 572726821 /nfs/dbraw/zinc/72/68/21/572726821.db2.gz XEYQFNFJVXNLMO-UHFFFAOYSA-N 0 0 161.204 2.143 10 30 AEEERN CC(C)(C)CCOCC[C@@](C)(N)C#N 85320188 572727056 /nfs/dbraw/zinc/72/70/56/572727056.db2.gz ZSGBPCUIXXKGGG-LLVKDONJSA-N 0 0 198.310 2.070 10 30 AEEERN C=C1C[C@@H]1[C@H](C)[C@H](C)C(C)=O 306604459 572727106 /nfs/dbraw/zinc/72/71/06/572727106.db2.gz ODWJCQRWCUBNPB-XKSSXDPKSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)(C)CCOCC[C@](C)(N)C#N 85320187 572727202 /nfs/dbraw/zinc/72/72/02/572727202.db2.gz ZSGBPCUIXXKGGG-NSHDSACASA-N 0 0 198.310 2.070 10 30 AEEERN CC(C)(C)CCOCCC=O 85319494 572727360 /nfs/dbraw/zinc/72/73/60/572727360.db2.gz YEVFQNUMPHBPJZ-UHFFFAOYSA-N 0 0 158.241 2.028 10 30 AEEERN C=C1C[C@@H]1[C@@H](C)[C@H](C)C(C)=O 306604458 572727727 /nfs/dbraw/zinc/72/77/27/572727727.db2.gz ODWJCQRWCUBNPB-NRPADANISA-N 0 0 152.237 2.424 10 30 AEEERN Cc1oc2c(c1C#N)CCCC2 77090167 572727789 /nfs/dbraw/zinc/72/77/89/572727789.db2.gz XPYKDKLNERUESK-UHFFFAOYSA-N 0 0 161.204 2.339 10 30 AEEERN C#CC[C@@]1(C)CCC[C@H](C)C1=O 196671908 572727937 /nfs/dbraw/zinc/72/79/37/572727937.db2.gz SVEZJRUTRMXOSU-ONGXEEELSA-N 0 0 164.248 2.405 10 30 AEEERN C=CC[C@H]1CCC(=C)C[C@H]1O 306675765 572728022 /nfs/dbraw/zinc/72/80/22/572728022.db2.gz UHFMHJCODSXGPB-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN COCc1oc(C)c(C)c1CC#N 77089317 572728175 /nfs/dbraw/zinc/72/81/75/572728175.db2.gz NOKAKLANERDQEZ-UHFFFAOYSA-N 0 0 179.219 2.109 10 30 AEEERN CCc1oc2c(c1C#N)CCC2 77089599 572728200 /nfs/dbraw/zinc/72/82/00/572728200.db2.gz QPDRJGXQUCQSIN-UHFFFAOYSA-N 0 0 161.204 2.202 10 30 AEEERN CC#CCC[C@@](C)(O)c1ccccn1 306649027 572728383 /nfs/dbraw/zinc/72/83/83/572728383.db2.gz DQMHPMCBFDVPOC-GFCCVEGCSA-N 0 0 189.258 2.093 10 30 AEEERN CCc1oc2c(c1CC#N)CCC2 77089616 572728397 /nfs/dbraw/zinc/72/83/97/572728397.db2.gz WBDVWVFYZMEOMF-UHFFFAOYSA-N 0 0 175.231 2.397 10 30 AEEERN C=CCOC(=O)[C@@H](C)SC(C)C 308100986 572728561 /nfs/dbraw/zinc/72/85/61/572728561.db2.gz GERAIIHHRUXUMG-MRVPVSSYSA-N 0 0 188.292 2.246 10 30 AEEERN ON=C1CCC[C@@H](C2CC2)C1 252475531 572728683 /nfs/dbraw/zinc/72/86/83/572728683.db2.gz RYCIDMDGQKWLFD-MRVPVSSYSA-N 0 0 153.225 2.417 10 30 AEEERN COCc1oc2c(c1C#N)CCCC2 77090101 572728691 /nfs/dbraw/zinc/72/86/91/572728691.db2.gz ZKEOMBMSIGSERT-UHFFFAOYSA-N 0 0 191.230 2.176 10 30 AEEERN C=C1C[C@H]2C[C@H](O)C[C@@H](C1)C2 306609953 572728814 /nfs/dbraw/zinc/72/88/14/572728814.db2.gz ZOEABCSXGLYIIV-MYJAWHEDSA-N 0 0 152.237 2.114 10 30 AEEERN C/C=C/C[C@@H](O)C#C[Si](C)(C)C 196671548 572736741 /nfs/dbraw/zinc/73/67/41/572736741.db2.gz LMKKAGDLWXPOJO-BRAIEQGRSA-N 0 0 182.339 2.194 10 30 AEEERN C=CC[C@]1(C)C(=O)CCCCC[C@@H]1O 306679956 572728904 /nfs/dbraw/zinc/72/89/04/572728904.db2.gz JIQRLMTUOXJJRC-JQWIXIFHSA-N 0 0 196.290 2.463 10 30 AEEERN C=CCOC(=O)[C@H](C)SC(C)C 308100994 572728975 /nfs/dbraw/zinc/72/89/75/572728975.db2.gz GERAIIHHRUXUMG-QMMMGPOBSA-N 0 0 188.292 2.246 10 30 AEEERN C=CCN(C(=NC#N)SC)C(C)C 308100840 572729114 /nfs/dbraw/zinc/72/91/14/572729114.db2.gz DXPSKBVEZRJPRX-UHFFFAOYSA-N 0 0 197.307 2.083 10 30 AEEERN CC[C@H](C)N(CC#N)C(C)C 70715162 572729154 /nfs/dbraw/zinc/72/91/54/572729154.db2.gz KXHSOXSIDRENSX-VIFPVBQESA-N 0 0 154.257 2.019 10 30 AEEERN CCCO/N=C/c1ccco1 307628858 572729304 /nfs/dbraw/zinc/72/93/04/572729304.db2.gz KROOFKOOEWSVMN-VQHVLOKHSA-N 0 0 153.181 2.040 10 30 AEEERN C=CC[C@@H]1[C@H](O)C[C@@H]2[C@H](C)C=C[C@H]12 306686453 572729336 /nfs/dbraw/zinc/72/93/36/572729336.db2.gz GHVIBPMKYIFOBE-RMPHRYRLSA-N 0 0 178.275 2.382 10 30 AEEERN CC(C)N(CC#N)C(=O)OC(C)(C)C 70714938 572729394 /nfs/dbraw/zinc/72/93/94/572729394.db2.gz CCTCEOMSYSMHHP-UHFFFAOYSA-N 0 0 198.266 2.155 10 30 AEEERN C=C(CS)COc1cncc(F)c1 308101429 572729447 /nfs/dbraw/zinc/72/94/47/572729447.db2.gz AAESECLXOXANIY-UHFFFAOYSA-N 0 0 199.250 2.086 10 30 AEEERN C[C@@H]1CC[C@H](c2noc(CC#N)n2)C1 235323866 572729490 /nfs/dbraw/zinc/72/94/90/572729490.db2.gz MQYBTOHHNHVARG-SFYZADRCSA-N 0 0 191.234 2.039 10 30 AEEERN CCCCN(CC#N)C(C)C 70715054 572729869 /nfs/dbraw/zinc/72/98/69/572729869.db2.gz ARJVGGOWWOJFGF-UHFFFAOYSA-N 0 0 154.257 2.020 10 30 AEEERN CC[C@@H](C)N(CC#N)C(C)C 70715160 572730312 /nfs/dbraw/zinc/73/03/12/572730312.db2.gz KXHSOXSIDRENSX-SECBINFHSA-N 0 0 154.257 2.019 10 30 AEEERN C=C(C)[C@@H]1C=C[C@]2(C)C[C@@H](O)O[C@H]2C1 306675602 572730354 /nfs/dbraw/zinc/73/03/54/572730354.db2.gz SWUDFWODVLBJNP-NOOOWODRSA-N 0 0 194.274 2.252 10 30 AEEERN CC#CCC[C@@H](O)c1ncc(C)s1 306644406 572730372 /nfs/dbraw/zinc/73/03/72/572730372.db2.gz ZJSLCVLSKFIDDE-SECBINFHSA-N 0 0 195.287 2.288 10 30 AEEERN CC(=O)/C=C\c1cnn(C(C)C)c1 308100667 572730526 /nfs/dbraw/zinc/73/05/26/572730526.db2.gz GZYGHSHOLXVWOH-PLNGDYQASA-N 0 0 178.235 2.066 10 30 AEEERN C#C[C@@H](C)Oc1c(F)cccc1C=O 235238372 572730701 /nfs/dbraw/zinc/73/07/01/572730701.db2.gz DAFBNIDUHUQWSQ-MRVPVSSYSA-N 0 0 192.189 2.039 10 30 AEEERN CCCCC(=O)C=C(N)CCC 307887004 572730729 /nfs/dbraw/zinc/73/07/29/572730729.db2.gz BHUZWHKAZQRGKM-HJWRWDBZSA-N 0 0 169.268 2.388 10 30 AEEERN C=CC[C@H](CC(C)C)C(=O)OC 714243565 572730750 /nfs/dbraw/zinc/73/07/50/572730750.db2.gz GFDJIXZICHVQHV-SECBINFHSA-N 0 0 170.252 2.398 10 30 AEEERN C#CCN(CC)C/C(Cl)=C\Cl 307893685 572733142 /nfs/dbraw/zinc/73/31/42/572733142.db2.gz GWYOUVSSMZAJAR-SOFGYWHQSA-N 0 0 192.089 2.261 10 30 AEEERN C#C/C(C)=C\C=C\C(=O)CCC 307890791 572730965 /nfs/dbraw/zinc/73/09/65/572730965.db2.gz IFMIBXISZNELKD-BXXMFMFASA-N 0 0 162.232 2.491 10 30 AEEERN C=CC1(O)CCC(CSC)CC1 306664846 572730970 /nfs/dbraw/zinc/73/09/70/572730970.db2.gz SLXPELZKWWBYEI-UHFFFAOYSA-N 0 0 186.320 2.457 10 30 AEEERN C=C[C@@H](O[C@@H](C)C=O)c1ccco1 238464426 572730983 /nfs/dbraw/zinc/73/09/83/572730983.db2.gz UFHULZCXHUXIPZ-DTWKUNHWSA-N 0 0 180.203 2.111 10 30 AEEERN C=CC[C@@H](CC(C)C)C(=O)OC 714243566 572731120 /nfs/dbraw/zinc/73/11/20/572731120.db2.gz GFDJIXZICHVQHV-VIFPVBQESA-N 0 0 170.252 2.398 10 30 AEEERN C=CCC(=O)N[C@@H](C)c1ccccc1 238463089 572731357 /nfs/dbraw/zinc/73/13/57/572731357.db2.gz ULRCYUALPBZSFH-JTQLQIEISA-N 0 0 189.258 2.440 10 30 AEEERN C=C[C@H](C(C)C)[C@H](O)/C=C\C 307890729 572731551 /nfs/dbraw/zinc/73/15/51/572731551.db2.gz DRPCIOWZGYQDHN-BTRAVGFTSA-N 0 0 154.253 2.382 10 30 AEEERN C=C[C@@H](C)Sc1nnc(C)o1 306653699 572731623 /nfs/dbraw/zinc/73/16/23/572731623.db2.gz VJJZVNJILAHWRQ-RXMQYKEDSA-N 0 0 170.237 2.045 10 30 AEEERN C#C[C@H](O)C1CCC(C)(C)CC1 306680575 572731698 /nfs/dbraw/zinc/73/16/98/572731698.db2.gz LJKFCHHQVZJJQU-JTQLQIEISA-N 0 0 166.264 2.197 10 30 AEEERN C=CC1=C(C)CC(C)(C)C1=O 196669356 572731714 /nfs/dbraw/zinc/73/17/14/572731714.db2.gz LQGNBXWBHOCTCP-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@H]1C 306646571 572731735 /nfs/dbraw/zinc/73/17/35/572731735.db2.gz CZUYJUUMDUMIDE-VGMNWLOBSA-N 0 0 152.237 2.424 10 30 AEEERN C=C(C)[C@@H]1C=C[C@]2(C)C[C@H](O)O[C@@H]2C1 306675601 572731819 /nfs/dbraw/zinc/73/18/19/572731819.db2.gz SWUDFWODVLBJNP-DDHJBXDOSA-N 0 0 194.274 2.252 10 30 AEEERN C=C(C)C1=CC(=O)CC1(C)C 196669337 572731823 /nfs/dbraw/zinc/73/18/23/572731823.db2.gz NNPQWHOMELZQGT-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C/C(C#CBr)=C/Cl 238468985 572731838 /nfs/dbraw/zinc/73/18/38/572731838.db2.gz WHWKOGDSTXPTBP-PLNGDYQASA-N 0 0 179.444 2.485 10 30 AEEERN C=C[C@H](O[C@@H](C)C=O)c1ccco1 238463922 572732423 /nfs/dbraw/zinc/73/24/23/572732423.db2.gz UFHULZCXHUXIPZ-IUCAKERBSA-N 0 0 180.203 2.111 10 30 AEEERN C=C1[C@H](O)C[C@@H]2CCCC[C@@H]12 306669030 572732818 /nfs/dbraw/zinc/73/28/18/572732818.db2.gz KSBPJRHWHXJLCW-LPEHRKFASA-N 0 0 152.237 2.114 10 30 AEEERN CC(=NO)c1cc(Cl)ccc1N 307888332 572733376 /nfs/dbraw/zinc/73/33/76/572733376.db2.gz YOVNGTHJUPZTLR-UHFFFAOYSA-N 0 0 184.626 2.120 10 30 AEEERN C#C/C(=C/CCCCC)CO 307894077 572733590 /nfs/dbraw/zinc/73/35/90/572733590.db2.gz ISVFWLXULZINPQ-NTMALXAHSA-N 0 0 152.237 2.119 10 30 AEEERN C[C@H](CC=O)Cc1cccc(O)c1 238469107 572733635 /nfs/dbraw/zinc/73/36/35/572733635.db2.gz LJLWHKZBJKUHKV-SECBINFHSA-N 0 0 178.231 2.160 10 30 AEEERN C=CCCCCC[C@@H](NN)C(F)F 236186324 572733845 /nfs/dbraw/zinc/73/38/45/572733845.db2.gz KKJDZOZZNYEMGV-MRVPVSSYSA-N 0 0 192.253 2.220 10 30 AEEERN CN1C=CC(=O)C[C@@H]1c1ccccc1 22004200 572733876 /nfs/dbraw/zinc/73/38/76/572733876.db2.gz ABAOSSLZYLOOKX-GFCCVEGCSA-N 0 0 187.242 2.146 10 30 AEEERN C=CC[C@H](NN)c1ccoc1Cl 236190885 572733911 /nfs/dbraw/zinc/73/39/11/572733911.db2.gz CMUVLKDHNXEDPC-ZETCQYMHSA-N 0 0 186.642 2.014 10 30 AEEERN C=CCCCCC[C@@H](NN)C1CC1 236186447 572733916 /nfs/dbraw/zinc/73/39/16/572733916.db2.gz NFLJRMFRWGWGTR-LLVKDONJSA-N 0 0 182.311 2.365 10 30 AEEERN C=C1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2C1=O 306659501 572734245 /nfs/dbraw/zinc/73/42/45/572734245.db2.gz LNNBJBMTJNWAAJ-FIRGSJFUSA-N 0 0 162.232 2.178 10 30 AEEERN CCOC1=CC(C)(C)CCC1=O 196668501 572734250 /nfs/dbraw/zinc/73/42/50/572734250.db2.gz ROQOJBWRHZRFSG-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CC1=CC(=O)[C@H]2CC[C@@H](C=C1)C2 307888534 572734329 /nfs/dbraw/zinc/73/43/29/572734329.db2.gz DKOVVRCRGPQNPS-ZJUUUORDSA-N 0 0 162.232 2.488 10 30 AEEERN CN1C=CC(=O)C[C@H]1c1ccccc1 22004205 572734392 /nfs/dbraw/zinc/73/43/92/572734392.db2.gz ABAOSSLZYLOOKX-LBPRGKRZSA-N 0 0 187.242 2.146 10 30 AEEERN CCCC/C=C\C#CCCO 307888921 572734404 /nfs/dbraw/zinc/73/44/04/572734404.db2.gz BFXFRTZALUCTTF-WAYWQWQTSA-N 0 0 152.237 2.119 10 30 AEEERN C=C[C@H]1[C@@H]2C(C)(C)C(=O)C[C@]12C 306663099 572734416 /nfs/dbraw/zinc/73/44/16/572734416.db2.gz QIQVXECAVUCUJX-JVUFJMBOSA-N 0 0 164.248 2.424 10 30 AEEERN C=CCCC(C)N=NCCC 307888003 572734628 /nfs/dbraw/zinc/73/46/28/572734628.db2.gz WVGQGIRTYHYJAP-UHFFFAOYSA-N 0 0 154.257 2.328 10 30 AEEERN C#C[C@@H](C)Oc1cccc(C(C)=O)c1 235239882 572735072 /nfs/dbraw/zinc/73/50/72/572735072.db2.gz AJYBWPBOLBPFRL-SECBINFHSA-N 0 0 188.226 2.290 10 30 AEEERN ON=Cc1cc(Cl)ncc1Cl 307894100 572735077 /nfs/dbraw/zinc/73/50/77/572735077.db2.gz HWJZBZVZTUBERC-UHFFFAOYSA-N 0 0 191.017 2.197 10 30 AEEERN C#CC[C@]1(C)CCC[C@@H](C)C1=O 196671883 572735351 /nfs/dbraw/zinc/73/53/51/572735351.db2.gz SVEZJRUTRMXOSU-MWLCHTKSSA-N 0 0 164.248 2.405 10 30 AEEERN CC(=NO)c1cc2ccccc2[nH]1 254444316 572735455 /nfs/dbraw/zinc/73/54/55/572735455.db2.gz GPTGZLNWXWOJLP-UHFFFAOYSA-N 0 0 174.203 2.366 10 30 AEEERN CC[C@H](C)CCCC=O 70739040 572735539 /nfs/dbraw/zinc/73/55/39/572735539.db2.gz RRTVBKXBOQHBMV-QMMMGPOBSA-N 0 0 128.215 2.402 10 30 AEEERN C=CC[C@@H](O)/C=C/C=C(C)C 207946094 572735757 /nfs/dbraw/zinc/73/57/57/572735757.db2.gz KTCASBKJDCTFPG-VHODGJRUSA-N 0 0 152.237 2.446 10 30 AEEERN C#CC[C@@]1(C)CCC[C@@H](C)C1=O 196671901 572735775 /nfs/dbraw/zinc/73/57/75/572735775.db2.gz SVEZJRUTRMXOSU-KOLCDFICSA-N 0 0 164.248 2.405 10 30 AEEERN CC/C=C\C(=O)c1ccco1 307890172 572736018 /nfs/dbraw/zinc/73/60/18/572736018.db2.gz CWLCNXIURIRVOR-HYXAFXHYSA-N 0 0 150.177 2.429 10 30 AEEERN C=CCC[C@H](C)OC(=O)CC 307890084 572736183 /nfs/dbraw/zinc/73/61/83/572736183.db2.gz YOKOPYPONBCJCY-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN C/C=C/C[C@H](O)C#C[Si](C)(C)C 196671540 572736245 /nfs/dbraw/zinc/73/62/45/572736245.db2.gz LMKKAGDLWXPOJO-PORFMDCZSA-N 0 0 182.339 2.194 10 30 AEEERN CCC#CCC#CCCC=O 307890177 572736274 /nfs/dbraw/zinc/73/62/74/572736274.db2.gz CWYGRQUTTDLWHX-KTKRTIGZSA-N 0 0 148.205 2.255 10 30 AEEERN C=CC[C@@H](O)[C@@H](SC)C(C)C 307890127 572736517 /nfs/dbraw/zinc/73/65/17/572736517.db2.gz COAZVTJAYYKADX-BDAKNGLRSA-N 0 0 174.309 2.311 10 30 AEEERN CC#CCC[C@]1(O)CCCC[C@@H]1OC 234810356 572736624 /nfs/dbraw/zinc/73/66/24/572736624.db2.gz OEFZPYCWXMQMQX-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CON=CC1CCC(C)CC1 393446068 572736675 /nfs/dbraw/zinc/73/66/75/572736675.db2.gz ANPSVUFFWYCZCZ-UHFFFAOYSA-N 0 0 155.241 2.445 10 30 AEEERN Cc1nn(C(C)(C)C)c(C)c1C=NO 254440901 572736677 /nfs/dbraw/zinc/73/66/77/572736677.db2.gz MGXXZRRADAQHMW-UHFFFAOYSA-N 0 0 195.266 2.063 10 30 AEEERN C=CC1([C@H](O)/C=C\C)CCC1 307890088 572736804 /nfs/dbraw/zinc/73/68/04/572736804.db2.gz CNELUTSIEMGRJT-JVBZPZKUSA-N 0 0 152.237 2.280 10 30 AEEERN CC#CC[C@H](O)C1(CCC)CC1 308107044 572736850 /nfs/dbraw/zinc/73/68/50/572736850.db2.gz IKJGUZJBZKTBIS-JTQLQIEISA-N 0 0 166.264 2.341 10 30 AEEERN C=C1C(=C)[C@@H]2C[C@@H](C(=C)C2=C)[C@@H]1O 306666996 572737066 /nfs/dbraw/zinc/73/70/66/572737066.db2.gz DFJIDRQQSOHSHP-GRYCIOLGSA-N 0 0 174.243 2.222 10 30 AEEERN C=CCNN=CCC(C)(C)C 307889529 572737188 /nfs/dbraw/zinc/73/71/88/572737188.db2.gz YFKBSTIPCNSUIW-UHFFFAOYSA-N 0 0 154.257 2.184 10 30 AEEERN CC(C)(C)ON=CC1(F)CC1 307889018 572737237 /nfs/dbraw/zinc/73/72/37/572737237.db2.gz XMYYRVIEPVSTRO-UHFFFAOYSA-N 0 0 159.204 2.289 10 30 AEEERN C=C(C)[C@@H]1C=C[C@]2(C)C[C@H](O)O[C@H]2C1 306675604 572737295 /nfs/dbraw/zinc/73/72/95/572737295.db2.gz SWUDFWODVLBJNP-WRWGMCAJSA-N 0 0 194.274 2.252 10 30 AEEERN ON=C1C[C@H]2c3ccccc3C[C@H]12 254488579 572738957 /nfs/dbraw/zinc/73/89/57/572738957.db2.gz MLNPPBWZIDDDGN-UWVGGRQHSA-N 0 0 173.215 2.176 10 30 AEEERN CCc1sc(C)cc1C#N 77095955 572737417 /nfs/dbraw/zinc/73/74/17/572737417.db2.gz OOQTWSBWFHZWNQ-UHFFFAOYSA-N 0 0 151.234 2.491 10 30 AEEERN CC[C@@H](C)CCCC=O 70739039 572737572 /nfs/dbraw/zinc/73/75/72/572737572.db2.gz RRTVBKXBOQHBMV-MRVPVSSYSA-N 0 0 128.215 2.402 10 30 AEEERN CC#C[C@](C)(O)Cc1ccccc1 306686871 572737939 /nfs/dbraw/zinc/73/79/39/572737939.db2.gz GWMOHWURJAUANZ-LBPRGKRZSA-N 0 0 174.243 2.003 10 30 AEEERN C=CC1([C@@H](O)/C=C\C)CCC1 307890092 572737982 /nfs/dbraw/zinc/73/79/82/572737982.db2.gz CNELUTSIEMGRJT-RWIWAZIYSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](CO)Cc1ccc(C)cc1 238476004 572738035 /nfs/dbraw/zinc/73/80/35/572738035.db2.gz GCMIXTKNPMIHTN-NSHDSACASA-N 0 0 176.259 2.332 10 30 AEEERN CC#CC[C@@H](O)C1(CCC)CC1 308107046 572738052 /nfs/dbraw/zinc/73/80/52/572738052.db2.gz IKJGUZJBZKTBIS-SNVBAGLBSA-N 0 0 166.264 2.341 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@]2(C)[C@H]1C 306612860 572738493 /nfs/dbraw/zinc/73/84/93/572738493.db2.gz JPQXIQGSEJVZNU-QXFUBDJGSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)(C)C=NNCC1CC1 307895255 572738588 /nfs/dbraw/zinc/73/85/88/572738588.db2.gz HVFODQMZBWHRQO-UHFFFAOYSA-N 0 0 154.257 2.018 10 30 AEEERN CCON=C(C)c1ccc(C)nc1 254484930 572738681 /nfs/dbraw/zinc/73/86/81/572738681.db2.gz UGHAUUAUHIXANR-UHFFFAOYSA-N 0 0 178.235 2.151 10 30 AEEERN CCN(CC)[C@]1(C#N)CC[C@H](C)C1 70766194 572738787 /nfs/dbraw/zinc/73/87/87/572738787.db2.gz ZHZJAXIDTXKTJW-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1ccsc1C(=O)CCC=O 238481882 572738837 /nfs/dbraw/zinc/73/88/37/572738837.db2.gz KJTMJIPBAGYTFQ-UHFFFAOYSA-N 0 0 182.244 2.218 10 30 AEEERN C=CCOc1cc(Cl)nc(CC)n1 87905691 572738845 /nfs/dbraw/zinc/73/88/45/572738845.db2.gz MYFZWACVPDHAGM-UHFFFAOYSA-N 0 0 198.653 2.257 10 30 AEEERN CC(C)CNN=C1CCCSC1 393483465 572738903 /nfs/dbraw/zinc/73/89/03/572738903.db2.gz JSOQBXCNCQENJY-UHFFFAOYSA-N 0 0 186.324 2.115 10 30 AEEERN C=C[C@@](C)(CO)CCCCC#N 238479862 572738930 /nfs/dbraw/zinc/73/89/30/572738930.db2.gz GBEQIBIUUNGTKH-SNVBAGLBSA-N 0 0 167.252 2.255 10 30 AEEERN CC[C@@]1(C)C[C@@H](C=NO)CCO1 254478781 572739048 /nfs/dbraw/zinc/73/90/48/572739048.db2.gz NZOIOLUZLZQUAZ-IUCAKERBSA-N 0 0 171.240 2.042 10 30 AEEERN C=C(CO)[C@H](C)[C@@H](O)C1CCCCC1 238478499 572739060 /nfs/dbraw/zinc/73/90/60/572739060.db2.gz UOXGHPVHUXGLSM-CMPLNLGQSA-N 0 0 198.306 2.112 10 30 AEEERN ON=C1C[C@@H]2c3ccccc3C[C@H]12 254488583 572739077 /nfs/dbraw/zinc/73/90/77/572739077.db2.gz MLNPPBWZIDDDGN-ZJUUUORDSA-N 0 0 173.215 2.176 10 30 AEEERN C=CC[C@@H]1CC[C@H](C)[C@@H](CC=O)O1 238482422 572739248 /nfs/dbraw/zinc/73/92/48/572739248.db2.gz MRPOSKROCJPPBJ-HBNTYKKESA-N 0 0 182.263 2.335 10 30 AEEERN CC[C@]1(C)C[C@@H](C=NO)CCO1 254478780 572739268 /nfs/dbraw/zinc/73/92/68/572739268.db2.gz NZOIOLUZLZQUAZ-DTWKUNHWSA-N 0 0 171.240 2.042 10 30 AEEERN C=CON=C(C)c1ccco1 254521981 572739349 /nfs/dbraw/zinc/73/93/49/572739349.db2.gz TVUXECYKLUVKBJ-UHFFFAOYSA-N 0 0 151.165 2.164 10 30 AEEERN CCCC(=NO)c1ccccn1 254502123 572739405 /nfs/dbraw/zinc/73/94/05/572739405.db2.gz XPELOJYRELTNEG-UHFFFAOYSA-N 0 0 164.208 2.060 10 30 AEEERN ON=C1CCCCCCC1=NO 254480303 572739917 /nfs/dbraw/zinc/73/99/17/572739917.db2.gz KYAGFJRYMCNINR-UHFFFAOYSA-N 0 0 170.212 2.001 10 30 AEEERN C=C1C[C@]1(OC)[C@H](O)C1CCCCC1 306678268 572739553 /nfs/dbraw/zinc/73/95/53/572739553.db2.gz HOTVVOBOPZFRMG-VXGBXAGGSA-N 0 0 196.290 2.273 10 30 AEEERN C[C@@H]1CC[C@](C#N)(N2CCCC2)C1 70766223 572739564 /nfs/dbraw/zinc/73/95/64/572739564.db2.gz MKILLKRAFPJKOZ-MNOVXSKESA-N 0 0 178.279 2.165 10 30 AEEERN CCN(CC)[C@@]1(C#N)CC[C@H](C)C1 70766197 572739578 /nfs/dbraw/zinc/73/95/78/572739578.db2.gz ZHZJAXIDTXKTJW-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C#N)O[C@@H](C)C(F)(F)F 85421971 572743149 /nfs/dbraw/zinc/74/31/49/572743149.db2.gz VYBWURJZXOHOTG-WDSKDSINSA-N 0 0 181.157 2.256 10 30 AEEERN CCCCC#C[C@@H](C)[C@@H](C)O 306649709 572739689 /nfs/dbraw/zinc/73/96/89/572739689.db2.gz FEAXCGUGKFHBJC-NXEZZACHSA-N 0 0 154.253 2.197 10 30 AEEERN Cc1cc(C#N)c(N)n1-c1ccccc1 238478496 572739691 /nfs/dbraw/zinc/73/96/91/572739691.db2.gz UPFOXACYLFWOMI-UHFFFAOYSA-N 0 0 197.241 2.240 10 30 AEEERN CC#CCC[C@@]1(O)CCCC[C@H]1OC 234812336 572739711 /nfs/dbraw/zinc/73/97/11/572739711.db2.gz OEFZPYCWXMQMQX-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN C[C@](C#N)(CCO)Cc1ccccc1 238478047 572739860 /nfs/dbraw/zinc/73/98/60/572739860.db2.gz XIRTURRIJRZGOZ-LBPRGKRZSA-N 0 0 189.258 2.141 10 30 AEEERN CC[C@@]1(C)C[C@H](C=NO)CCO1 254478777 572739878 /nfs/dbraw/zinc/73/98/78/572739878.db2.gz NZOIOLUZLZQUAZ-BDAKNGLRSA-N 0 0 171.240 2.042 10 30 AEEERN CCC(C)=NOc1nc(C)cc(C)n1 254533240 572739910 /nfs/dbraw/zinc/73/99/10/572739910.db2.gz PSLRCOYPVUDDQW-UHFFFAOYSA-N 0 0 193.250 2.258 10 30 AEEERN C=C[C@H](O)[C@@H](C)C(=O)CC(C)(C)C=C 238478631 572739915 /nfs/dbraw/zinc/73/99/15/572739915.db2.gz FQROWMLKUSTBTB-ZJUUUORDSA-N 0 0 196.290 2.341 10 30 AEEERN C=C(Cl)C[N@H+]1CCC1(C)C 306634566 572739923 /nfs/dbraw/zinc/73/99/23/572739923.db2.gz WEEIIIXAYXWCDQ-UHFFFAOYSA-N 0 0 159.660 2.223 10 30 AEEERN CCCCC#C/C=C/CCO 221890619 572739939 /nfs/dbraw/zinc/73/99/39/572739939.db2.gz JQJIABZYRKZRTI-BQYQJAHWSA-N 0 0 152.237 2.119 10 30 AEEERN C=C[C@@](C)(C=O)Cc1ccoc1 238481419 572740008 /nfs/dbraw/zinc/74/00/08/572740008.db2.gz HIHOSNUQZFXFDK-SNVBAGLBSA-N 0 0 164.204 2.213 10 30 AEEERN C=CCNC(C)=CC(=O)OC(C)(C)C 238482247 572740031 /nfs/dbraw/zinc/74/00/31/572740031.db2.gz JVGJXPCEAYTLKO-CMDGGOBGSA-N 0 0 197.278 2.008 10 30 AEEERN CCN(CC)[C@]1(C#N)CC[C@@H](C)C1 70766200 572740038 /nfs/dbraw/zinc/74/00/38/572740038.db2.gz ZHZJAXIDTXKTJW-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H]1CC[C@@](C#N)(N2CCCC2)C1 70766221 572740161 /nfs/dbraw/zinc/74/01/61/572740161.db2.gz MKILLKRAFPJKOZ-WDEREUQCSA-N 0 0 178.279 2.165 10 30 AEEERN C#CCON=C(C)C(C)(C)C 254513116 572740675 /nfs/dbraw/zinc/74/06/75/572740675.db2.gz CPOHZPIEOMTFQX-UHFFFAOYSA-N 0 0 153.225 2.058 10 30 AEEERN C(=Nc1ccccn1)c1ccncc1 254521687 572740700 /nfs/dbraw/zinc/74/07/00/572740700.db2.gz FUEYMLXGDFEVRE-UHFFFAOYSA-N 0 0 183.214 2.227 10 30 AEEERN C[C@H]1CC[C@](C#N)(N2CCCC2)C1 70766227 572740850 /nfs/dbraw/zinc/74/08/50/572740850.db2.gz MKILLKRAFPJKOZ-QWRGUYRKSA-N 0 0 178.279 2.165 10 30 AEEERN Cc1cc(N=Cc2cccnc2)no1 254482090 572741012 /nfs/dbraw/zinc/74/10/12/572741012.db2.gz FQWRSULVZSDIOD-UHFFFAOYSA-N 0 0 187.202 2.129 10 30 AEEERN C#C[C@H](O)c1ccc(SCC)cc1 306750024 572741150 /nfs/dbraw/zinc/74/11/50/572741150.db2.gz IOGVQVVPQZTGRI-NSHDSACASA-N 0 0 192.283 2.465 10 30 AEEERN CC[C@]1(C)C[C@H](C=NO)CCO1 254478784 572741218 /nfs/dbraw/zinc/74/12/18/572741218.db2.gz NZOIOLUZLZQUAZ-RKDXNWHRSA-N 0 0 171.240 2.042 10 30 AEEERN COc1ccc(CC[C@]2(C)CO2)cc1 55026842 572741295 /nfs/dbraw/zinc/74/12/95/572741295.db2.gz ONYVHWNTIDOCDB-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN ON=C1C[C@@H]2c3ccccc3C[C@@H]12 254488578 572741415 /nfs/dbraw/zinc/74/14/15/572741415.db2.gz MLNPPBWZIDDDGN-NXEZZACHSA-N 0 0 173.215 2.176 10 30 AEEERN CCCC(=NO)c1ccc(O)cc1O 254505881 572741431 /nfs/dbraw/zinc/74/14/31/572741431.db2.gz YCKWYIRYEKQIRQ-UHFFFAOYSA-N 0 0 195.218 2.076 10 30 AEEERN ON=C1C[C@H]2c3ccccc3C[C@@H]12 254488581 572741544 /nfs/dbraw/zinc/74/15/44/572741544.db2.gz MLNPPBWZIDDDGN-VHSXEESVSA-N 0 0 173.215 2.176 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(N2CCCC2)C1 70766219 572741574 /nfs/dbraw/zinc/74/15/74/572741574.db2.gz MKILLKRAFPJKOZ-GHMZBOCLSA-N 0 0 178.279 2.165 10 30 AEEERN C#C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 306764789 572741649 /nfs/dbraw/zinc/74/16/49/572741649.db2.gz VNQHXKNGGIQUAF-GMTAPVOTSA-N 0 0 180.291 2.443 10 30 AEEERN C=CCCC[C@@]1(C)CCCNC1=O 238474300 572741654 /nfs/dbraw/zinc/74/16/54/572741654.db2.gz IGEIHOBTZRAZHC-NSHDSACASA-N 0 0 181.279 2.259 10 30 AEEERN CCN(CC)[C@@]1(C#N)CC[C@@H](C)C1 70766203 572741665 /nfs/dbraw/zinc/74/16/65/572741665.db2.gz ZHZJAXIDTXKTJW-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@]1(CCCCC=O)C=CC(=O)C1 238474499 572741737 /nfs/dbraw/zinc/74/17/37/572741737.db2.gz DENQUCQKYLYJAK-LLVKDONJSA-N 0 0 180.247 2.281 10 30 AEEERN C[C@@H]1CCc2cc(C#N)c(=S)[nH]c21 83390160 572741819 /nfs/dbraw/zinc/74/18/19/572741819.db2.gz IIAILPDIEPYDMO-ZCFIWIBFSA-N 0 0 190.271 2.292 10 30 AEEERN C[C@H]1CCC(=O)C=C1CCCCO 238473695 572741882 /nfs/dbraw/zinc/74/18/82/572741882.db2.gz VGXHNXUFDATWDO-VIFPVBQESA-N 0 0 182.263 2.074 10 30 AEEERN c1coc(CN=Nc2nccs2)c1 254866306 572743988 /nfs/dbraw/zinc/74/39/88/572743988.db2.gz FKUPSAXVWJOZMQ-UHFFFAOYSA-N 0 0 193.231 2.182 10 30 AEEERN C[C@@H](OCCCC#N)C(F)(F)F 85421982 572742161 /nfs/dbraw/zinc/74/21/61/572742161.db2.gz FHLHUQFMDVTAPD-ZCFIWIBFSA-N 0 0 181.157 2.258 10 30 AEEERN C[C@]1(CCCCO)C=CC(=O)CC1 238489530 572742188 /nfs/dbraw/zinc/74/21/88/572742188.db2.gz SHMKADUWENAZFI-NSHDSACASA-N 0 0 182.263 2.074 10 30 AEEERN C=C1CC[C@]2(CO)C=CC=C[C@@H]12 306754659 572742296 /nfs/dbraw/zinc/74/22/96/572742296.db2.gz KIHIVYCXLYFJAW-QWRGUYRKSA-N 0 0 162.232 2.057 10 30 AEEERN C=C1CCCC(=O)[C@@H]2CCC[C@H](O)[C@@H]12 306708693 572742380 /nfs/dbraw/zinc/74/23/80/572742380.db2.gz LCLQVRXQBPLMDU-DLOVCJGASA-N 0 0 194.274 2.073 10 30 AEEERN N#CCCc1nc(-c2ccccc2)no1 236199295 572742419 /nfs/dbraw/zinc/74/24/19/572742419.db2.gz YYJWMEWKONYFFE-UHFFFAOYSA-N 0 0 199.213 2.193 10 30 AEEERN C#C[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1O 306638481 572742638 /nfs/dbraw/zinc/74/26/38/572742638.db2.gz CGLNEAUHPFXXFC-AXFHLTTASA-N 0 0 180.291 2.443 10 30 AEEERN CC/C=C\C(=O)c1ccoc1 307899438 572742819 /nfs/dbraw/zinc/74/28/19/572742819.db2.gz QLGTYXYKWGEPTA-ARJAWSKDSA-N 0 0 150.177 2.429 10 30 AEEERN CC(C)CC(Cl)=NO 393483970 572742918 /nfs/dbraw/zinc/74/29/18/572742918.db2.gz NLFWEVDQFNGEEV-UHFFFAOYSA-N 0 0 135.594 2.059 10 30 AEEERN C#CC[C@H](CC=O)c1ccc(C)o1 238473844 572743092 /nfs/dbraw/zinc/74/30/92/572743092.db2.gz DBWQHBXNYCVNCJ-SNVBAGLBSA-N 0 0 176.215 2.284 10 30 AEEERN CC[C@H](C#N)O[C@H](C)C(F)(F)F 85421974 572743094 /nfs/dbraw/zinc/74/30/94/572743094.db2.gz VYBWURJZXOHOTG-PHDIDXHHSA-N 0 0 181.157 2.256 10 30 AEEERN C[C@]1(CCCCC=O)C=CC(=O)C1 238489428 572743124 /nfs/dbraw/zinc/74/31/24/572743124.db2.gz DENQUCQKYLYJAK-NSHDSACASA-N 0 0 180.247 2.281 10 30 AEEERN ON=C1CC[C@@H]2CCCC[C@@H]12 254804629 572743160 /nfs/dbraw/zinc/74/31/60/572743160.db2.gz XVCRTDFJYAUMOC-JGVFFNPUSA-N 0 0 153.225 2.417 10 30 AEEERN CC#CC/C=C\CCCCO 307899944 572743170 /nfs/dbraw/zinc/74/31/70/572743170.db2.gz RACUUYDEQBCGDR-WAYWQWQTSA-N 0 0 152.237 2.119 10 30 AEEERN CCCON=Cc1cccc(C)n1 254764587 572743581 /nfs/dbraw/zinc/74/35/81/572743581.db2.gz RBVMOPOPRHDMHM-UHFFFAOYSA-N 0 0 178.235 2.151 10 30 AEEERN C=CC[C@@H](C(N)=O)c1ccc(C)cc1 238473780 572743206 /nfs/dbraw/zinc/74/32/06/572743206.db2.gz AFYQRKZLLUSFAL-LLVKDONJSA-N 0 0 189.258 2.140 10 30 AEEERN CC(=NO)c1ccc(C(C)=NO)cc1 254875291 572743265 /nfs/dbraw/zinc/74/32/65/572743265.db2.gz ZTPGKYXCUIPQGC-UHFFFAOYSA-N 0 0 192.218 2.083 10 30 AEEERN C[C@@]1(CCCCO)C=CC(=O)CC1 238474634 572743270 /nfs/dbraw/zinc/74/32/70/572743270.db2.gz SHMKADUWENAZFI-LLVKDONJSA-N 0 0 182.263 2.074 10 30 AEEERN CC#CCNc1ccccc1[C@@H](C)O 306655825 572743297 /nfs/dbraw/zinc/74/32/97/572743297.db2.gz YXLKRQYEZYJEMD-SNVBAGLBSA-N 0 0 189.258 2.175 10 30 AEEERN C[C@H](OCCCC#N)C(F)(F)F 85421981 572743313 /nfs/dbraw/zinc/74/33/13/572743313.db2.gz FHLHUQFMDVTAPD-LURJTMIESA-N 0 0 181.157 2.258 10 30 AEEERN CC[C@H](C#N)O[C@@H](C)C(F)(F)F 85421972 572743318 /nfs/dbraw/zinc/74/33/18/572743318.db2.gz VYBWURJZXOHOTG-NTSWFWBYSA-N 0 0 181.157 2.256 10 30 AEEERN O=[N+]([O-])C=CNc1ccccc1Cl 254790302 572743328 /nfs/dbraw/zinc/74/33/28/572743328.db2.gz DGJORAGWHBCIHE-UHFFFAOYSA-N 0 0 198.609 2.319 10 30 AEEERN ON=C1CC[C@H]2CCCC[C@H]12 254804631 572743348 /nfs/dbraw/zinc/74/33/48/572743348.db2.gz XVCRTDFJYAUMOC-SFYZADRCSA-N 0 0 153.225 2.417 10 30 AEEERN C=C/C=C\CC[C@H](O)C(=C)C 307903024 572747293 /nfs/dbraw/zinc/74/72/93/572747293.db2.gz XHIBUWMZUIZRGY-OMMCCPJFSA-N 0 0 152.237 2.446 10 30 AEEERN CNc1nc2c(cc1C#N)CC[C@H]2C 83389996 572743428 /nfs/dbraw/zinc/74/34/28/572743428.db2.gz LIFQKPZZYMOUHS-SSDOTTSWSA-N 0 0 187.246 2.045 10 30 AEEERN ON=C1CC[C@@H]2CCCC[C@H]12 254804634 572743679 /nfs/dbraw/zinc/74/36/79/572743679.db2.gz XVCRTDFJYAUMOC-YUMQZZPRSA-N 0 0 153.225 2.417 10 30 AEEERN Cc1cc(C)c2c(c1C)OCC2=NO 254875826 572743820 /nfs/dbraw/zinc/74/38/20/572743820.db2.gz AKCXJGFUOJUFSY-UHFFFAOYSA-N 0 0 191.230 2.183 10 30 AEEERN C[C@H]1CCc2cc(C#N)c(=S)[nH]c21 83390161 572743879 /nfs/dbraw/zinc/74/38/79/572743879.db2.gz IIAILPDIEPYDMO-LURJTMIESA-N 0 0 190.271 2.292 10 30 AEEERN C#C/C(=C/CO)CCCCC 307898392 572743963 /nfs/dbraw/zinc/74/39/63/572743963.db2.gz OVTVCADGOXWFFH-NTMALXAHSA-N 0 0 152.237 2.119 10 30 AEEERN C=CCCC[C@]1(C)CCCNC1=O 238489299 572743966 /nfs/dbraw/zinc/74/39/66/572743966.db2.gz IGEIHOBTZRAZHC-LLVKDONJSA-N 0 0 181.279 2.259 10 30 AEEERN C=C[C@H]1C(C)(C)[C@@H](O)CC[C@@]1(C)OC 306720355 572743969 /nfs/dbraw/zinc/74/39/69/572743969.db2.gz ZLBSONTXLKHDJP-JBLDHEPKSA-N 0 0 198.306 2.375 10 30 AEEERN CNc1nc2c(cc1C#N)CC[C@@H]2C 83389997 572744028 /nfs/dbraw/zinc/74/40/28/572744028.db2.gz LIFQKPZZYMOUHS-ZETCQYMHSA-N 0 0 187.246 2.045 10 30 AEEERN C=C[C@H]1C(C)(C)[C@H](O)CC[C@@]1(C)OC 306720354 572744030 /nfs/dbraw/zinc/74/40/30/572744030.db2.gz ZLBSONTXLKHDJP-HOSYDEDBSA-N 0 0 198.306 2.375 10 30 AEEERN CC[C@@H](C#N)O[C@H](C)C(F)(F)F 85421973 572744127 /nfs/dbraw/zinc/74/41/27/572744127.db2.gz VYBWURJZXOHOTG-RITPCOANSA-N 0 0 181.157 2.256 10 30 AEEERN CCC/C=C/C(=O)[C@H](O)CCC 307903297 572747304 /nfs/dbraw/zinc/74/73/04/572747304.db2.gz KBTBCGWHICAYOU-BNICOGTQSA-N 0 0 170.252 2.073 10 30 AEEERN CCNC(=CC(C)=O)CC(C)C 307898263 572744155 /nfs/dbraw/zinc/74/41/55/572744155.db2.gz UKMDEQXHHIZEJW-JXMROGBWSA-N 0 0 169.268 2.115 10 30 AEEERN ON=C1CCC[C@@H]1c1ccccn1 254839315 572744198 /nfs/dbraw/zinc/74/41/98/572744198.db2.gz YIBHBZRESNEYMH-MRVPVSSYSA-N 0 0 176.219 2.179 10 30 AEEERN C=C[C@H](C)CN(C)CC(F)F 307897909 572744491 /nfs/dbraw/zinc/74/44/91/572744491.db2.gz KEPUMWBHMGCRQJ-ZETCQYMHSA-N 0 0 163.211 2.005 10 30 AEEERN C#CCCSc1ncc(Cl)cn1 306793182 572744664 /nfs/dbraw/zinc/74/46/64/572744664.db2.gz ASHBBDQNFHYQKC-UHFFFAOYSA-N 0 0 198.678 2.245 10 30 AEEERN C#C[C@@]1(C)C[C@H]2C(=O)CCC[C@H]21 306779400 572744679 /nfs/dbraw/zinc/74/46/79/572744679.db2.gz WCXHGRXNXUSCCU-KKZNHRDASA-N 0 0 162.232 2.015 10 30 AEEERN C=C[C@@H](C)CN(C)CC(F)F 307897907 572744705 /nfs/dbraw/zinc/74/47/05/572744705.db2.gz KEPUMWBHMGCRQJ-SSDOTTSWSA-N 0 0 163.211 2.005 10 30 AEEERN CC=CC(=O)CCC(F)(F)F 307898196 572744769 /nfs/dbraw/zinc/74/47/69/572744769.db2.gz OIUDEURIQVYRTH-IHWYPQMZSA-N 0 0 166.142 2.474 10 30 AEEERN CC(=O)/C=N/C(C(C)C)C(C)C 307898040 572744837 /nfs/dbraw/zinc/74/48/37/572744837.db2.gz CIUYSYLNKXHSAA-IZZDOVSWSA-N 0 0 169.268 2.327 10 30 AEEERN C=CCOc1nnc(Cl)c(C)c1C 70820635 572744936 /nfs/dbraw/zinc/74/49/36/572744936.db2.gz POLKEVXVRPVPOG-UHFFFAOYSA-N 0 0 198.653 2.312 10 30 AEEERN CC(=NO)c1c[nH]c2ccccc12 254849975 572745017 /nfs/dbraw/zinc/74/50/17/572745017.db2.gz ZUYHZNAHKFXLAO-UHFFFAOYSA-N 0 0 174.203 2.366 10 30 AEEERN C=CCCCCC[C@@H](CC[NH3+])C(=O)[O-] 236199463 572745171 /nfs/dbraw/zinc/74/51/71/572745171.db2.gz NBIZYLQWTCFMQI-JTQLQIEISA-N 0 0 199.294 2.173 10 30 AEEERN C/C=C(\C(C)=O)[C@H](C)CC(C)=O 307906982 572745284 /nfs/dbraw/zinc/74/52/84/572745284.db2.gz RVKAQORNTOQNMT-SUKXWOPLSA-N 0 0 168.236 2.137 10 30 AEEERN CCO/C=C1\CC[C@@H](C)CC1=O 307906578 572745446 /nfs/dbraw/zinc/74/54/46/572745446.db2.gz QYLRWEXMJSJNMU-KGOFQHAKSA-N 0 0 168.236 2.296 10 30 AEEERN C[C@H](C#N)Oc1cc(F)ccc1F 70819981 572745494 /nfs/dbraw/zinc/74/54/94/572745494.db2.gz VWHUDPYJIPZSIQ-ZCFIWIBFSA-N 0 0 183.157 2.256 10 30 AEEERN CC(C)(C#N)CN=NC(C)(C)C#N 254821628 572745527 /nfs/dbraw/zinc/74/55/27/572745527.db2.gz YYIDOQLDSDAQSP-UHFFFAOYSA-N 0 0 178.239 2.291 10 30 AEEERN CCO/C=C1\CC[C@H](C)CC1=O 307906577 572745528 /nfs/dbraw/zinc/74/55/28/572745528.db2.gz QYLRWEXMJSJNMU-INTFFVIUSA-N 0 0 168.236 2.296 10 30 AEEERN ON=Cc1c(O)ccc2ccccc12 254821200 572745630 /nfs/dbraw/zinc/74/56/30/572745630.db2.gz VPTYRUGUZUYAGZ-UHFFFAOYSA-N 0 0 187.198 2.354 10 30 AEEERN C/C=C(\C(C)=O)[C@@H](C)CC(C)=O 307906984 572745636 /nfs/dbraw/zinc/74/56/36/572745636.db2.gz RVKAQORNTOQNMT-ZHNVUNHESA-N 0 0 168.236 2.137 10 30 AEEERN C/C=C/C(=O)CCC(=O)/C=C/C 307906616 572745668 /nfs/dbraw/zinc/74/56/68/572745668.db2.gz RITZHXUGZBETHH-GGWOSOGESA-N 0 0 166.220 2.057 10 30 AEEERN CCC(=O)C=C(O)C=CC(C)C 307906979 572745767 /nfs/dbraw/zinc/74/57/67/572745767.db2.gz RVGAHCWEQRZQIO-AATRIKPKSA-N 0 0 168.236 2.137 10 30 AEEERN C/C=C(/C(C)=O)C(=O)CCCC 307906600 572745829 /nfs/dbraw/zinc/74/58/29/572745829.db2.gz RDPCBTHQVDKLLI-UITAMQMPSA-N 0 0 168.236 2.281 10 30 AEEERN ON=C1CC[C@H]2CCCC[C@@H]12 254804627 572745919 /nfs/dbraw/zinc/74/59/19/572745919.db2.gz XVCRTDFJYAUMOC-HTQZYQBOSA-N 0 0 153.225 2.417 10 30 AEEERN C[C@@H](C#N)Oc1cc(F)ccc1F 70819979 572746011 /nfs/dbraw/zinc/74/60/11/572746011.db2.gz VWHUDPYJIPZSIQ-LURJTMIESA-N 0 0 183.157 2.256 10 30 AEEERN C#CCCC(=O)/C(=C/C)CC 307902359 572747048 /nfs/dbraw/zinc/74/70/48/572747048.db2.gz WBJIKRFJQMIBCM-WEVVVXLNSA-N 0 0 150.221 2.325 10 30 AEEERN C=C/C=C\CC[C@@H](O)C(=C)C 307903025 572746050 /nfs/dbraw/zinc/74/60/50/572746050.db2.gz XHIBUWMZUIZRGY-WWQCOOJYSA-N 0 0 152.237 2.446 10 30 AEEERN CC[C@H](C)CC[C@@H]1O[C@]1(C)C=O 307902273 572746124 /nfs/dbraw/zinc/74/61/24/572746124.db2.gz IJZNHDBWXHVGBF-LPEHRKFASA-N 0 0 170.252 2.169 10 30 AEEERN CC#C[C@H](O)[C@@H]1CCC[C@@H](C)C1 306793855 572746132 /nfs/dbraw/zinc/74/61/32/572746132.db2.gz RVYSSMUCLGIZGE-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN CCCN=Nc1ccc([N+](=O)[O-])cc1 254873791 572746221 /nfs/dbraw/zinc/74/62/21/572746221.db2.gz QZGGFOPHAVJRME-UHFFFAOYSA-N 0 0 193.206 2.403 10 30 AEEERN CC#CCCCC(=O)C=C(C)O 307901657 572746383 /nfs/dbraw/zinc/74/63/83/572746383.db2.gz HATXMBYVCJMLOR-HJWRWDBZSA-N 0 0 166.220 2.211 10 30 AEEERN CC1(C)Cc2cccc(/C=N/O)c2O1 70818744 572746389 /nfs/dbraw/zinc/74/63/89/572746389.db2.gz UXJOKFULOFSDQM-KPKJPENVSA-N 0 0 191.230 2.208 10 30 AEEERN ON=C1CCC[C@H]1c1ccccn1 254839316 572746627 /nfs/dbraw/zinc/74/66/27/572746627.db2.gz YIBHBZRESNEYMH-QMMMGPOBSA-N 0 0 176.219 2.179 10 30 AEEERN CC(=O)/C=C/COCC=C(C)C 307903303 572746631 /nfs/dbraw/zinc/74/66/31/572746631.db2.gz KCKRXDWTKDECAK-SNAWJCMRSA-N 0 0 168.236 2.114 10 30 AEEERN C(=Nc1nccs1)c1ccncc1 254798825 572746641 /nfs/dbraw/zinc/74/66/41/572746641.db2.gz UFSGQCLHAAHWKA-UHFFFAOYSA-N 0 0 189.243 2.289 10 30 AEEERN O=CC1=C(O)[C@@H]2CCCC[C@H]2C1 307901689 572746762 /nfs/dbraw/zinc/74/67/62/572746762.db2.gz HECUZBSRHGPVSW-PTEBFVFZSA-N 0 0 166.220 2.208 10 30 AEEERN C=C[C@@H]([NH2+]CCCC(C)(C)C)C(=O)[O-] 313244858 572746920 /nfs/dbraw/zinc/74/69/20/572746920.db2.gz YPEBSOZGLXAVEX-SECBINFHSA-N 0 0 199.294 2.042 10 30 AEEERN C/C=C(/C#CC[C@@H](C)O)CC 307901637 572746952 /nfs/dbraw/zinc/74/69/52/572746952.db2.gz UPOVMHFGKUMQBW-BZFUBLJMSA-N 0 0 152.237 2.117 10 30 AEEERN C=CCC[C@@]1(O)CS[C@@H](C)C1 306767756 572747123 /nfs/dbraw/zinc/74/71/23/572747123.db2.gz PFDGWWIOGMKDGQ-IUCAKERBSA-N 0 0 172.293 2.209 10 30 AEEERN C#CCCCCC(=O)C=C(C)O 307902176 572747248 /nfs/dbraw/zinc/74/72/48/572747248.db2.gz HQXZWPMBEZLONG-HJWRWDBZSA-N 0 0 166.220 2.211 10 30 AEEERN C=C1C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2C1 306703347 572747270 /nfs/dbraw/zinc/74/72/70/572747270.db2.gz GRAHRQDWILUMLQ-OPRDCNLKSA-N 0 0 166.264 2.360 10 30 AEEERN CCC/C=C/C(=O)[C@@H](O)CCC 307903298 572748200 /nfs/dbraw/zinc/74/82/00/572748200.db2.gz KBTBCGWHICAYOU-ORZBULNSSA-N 0 0 170.252 2.073 10 30 AEEERN CO/C(=C\C(=O)C(C)C)C(C)C 307902209 572747742 /nfs/dbraw/zinc/74/77/42/572747742.db2.gz HZOOTHIARSKLBH-POHAHGRESA-N 0 0 170.252 2.398 10 30 AEEERN C/C=C(/C#CC[C@H](C)O)CC 307901640 572748001 /nfs/dbraw/zinc/74/80/01/572748001.db2.gz UPOVMHFGKUMQBW-YNYSXPKMSA-N 0 0 152.237 2.117 10 30 AEEERN C=C/C=C/CCNc1ccc(C#N)cn1 713486968 572748056 /nfs/dbraw/zinc/74/80/56/572748056.db2.gz HMHXTKKRTOWCEK-ONEGZZNKSA-N 0 0 199.257 2.497 10 30 AEEERN C=C/C=C/CCNc1cccnc1C#N 713487458 572748502 /nfs/dbraw/zinc/74/85/02/572748502.db2.gz MEFJYSONPIPQTR-ONEGZZNKSA-N 0 0 199.257 2.497 10 30 AEEERN CC[C@H](C)ON=C1CCSC1 307904236 572749028 /nfs/dbraw/zinc/74/90/28/572749028.db2.gz QHNCLFFTHGKHDO-ZETCQYMHSA-N 0 0 173.281 2.294 10 30 AEEERN COCCC(=O)/C=C(\C)C(C)C 307905520 572749278 /nfs/dbraw/zinc/74/92/78/572749278.db2.gz PLVYICKHVGQVGL-VQHVLOKHSA-N 0 0 170.252 2.194 10 30 AEEERN C=C1[C@H]2CC[C@H](C2)[C@]1(C)CCO 306799577 572748792 /nfs/dbraw/zinc/74/87/92/572748792.db2.gz MYGDFGIGJANVGM-HBNTYKKESA-N 0 0 166.264 2.361 10 30 AEEERN C=C1CCN(C(=O)/C=C/CC)CC1 306758626 572748917 /nfs/dbraw/zinc/74/89/17/572748917.db2.gz OQVNLXOPBLUEPU-SNAWJCMRSA-N 0 0 179.263 2.131 10 30 AEEERN C=C1CCN(c2cccc(N)c2)CC1 306713795 572748948 /nfs/dbraw/zinc/74/89/48/572748948.db2.gz DKEHYPVCTXWBLS-UHFFFAOYSA-N 0 0 188.274 2.425 10 30 AEEERN CCCCN(C)/C(C)=C\C(C)=O 214257363 572749255 /nfs/dbraw/zinc/74/92/55/572749255.db2.gz RSZZZFBUASBPSA-HJWRWDBZSA-N 0 0 169.268 2.211 10 30 AEEERN C=CCC(=NOCC)C1CC1 307905387 572749324 /nfs/dbraw/zinc/74/93/24/572749324.db2.gz RDSXXJVBUHUNNL-UHFFFAOYSA-N 0 0 153.225 2.365 10 30 AEEERN CC(C)(C)CC(=NN)C1CC1 307904493 572749342 /nfs/dbraw/zinc/74/93/42/572749342.db2.gz QMBUTQJCHCXAKF-UHFFFAOYSA-N 0 0 154.257 2.147 10 30 AEEERN CON=C(C)CSCC(C)C 307904349 572749414 /nfs/dbraw/zinc/74/94/14/572749414.db2.gz QKPYBWMMBJROGZ-UHFFFAOYSA-N 0 0 175.297 2.398 10 30 AEEERN C/C=C(/C)[C@H](OCC)[C@H](C)C=O 307905440 572749477 /nfs/dbraw/zinc/74/94/77/572749477.db2.gz OTAOMQGSUUNNFY-ZLQFYDKZSA-N 0 0 170.252 2.193 10 30 AEEERN N#C[C@H]1C=CCCCCC(=O)C1 307904697 572749787 /nfs/dbraw/zinc/74/97/87/572749787.db2.gz OADPSNXTVRZABX-VIFPVBQESA-N 0 0 163.220 2.216 10 30 AEEERN C=C(C)[C@@H]1C[C@@H]2O[C@]2(C)[C@H](O)C1(C)C 306796973 572750688 /nfs/dbraw/zinc/75/06/88/572750688.db2.gz ABBOKKOLSBFICI-GUDRVLHUSA-N 0 0 196.290 2.127 10 30 AEEERN N#CCCCOCC1CCCC1 85487963 572750746 /nfs/dbraw/zinc/75/07/46/572750746.db2.gz RBYVPTRXDCKIAA-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN C=C[C@@H]1C[C@@H]2C=C[C@H]1C(=O)[C@@H]2C 306730350 572750905 /nfs/dbraw/zinc/75/09/05/572750905.db2.gz DYDQFETZWCRAKJ-DOLQZWNJSA-N 0 0 162.232 2.200 10 30 AEEERN C#C[C@@H](C)Nc1cccc(C)c1C#N 235247512 572750990 /nfs/dbraw/zinc/75/09/90/572750990.db2.gz HADHSVSTGCYAHP-SNVBAGLBSA-N 0 0 184.242 2.300 10 30 AEEERN C=C/C=C/CCNc1ccc(C#N)nc1 713488154 572751570 /nfs/dbraw/zinc/75/15/70/572751570.db2.gz SRIOOLHIXDPLAJ-ONEGZZNKSA-N 0 0 199.257 2.497 10 30 AEEERN C=C(C)[C@H]([NH3+])c1cccc(OC)c1F 306769412 572751171 /nfs/dbraw/zinc/75/11/71/572751171.db2.gz AGYWPEDOOBFTSQ-NSHDSACASA-N 0 0 195.237 2.410 10 30 AEEERN C=C(C)[C@@H]1C[C@H]2C[C@@]2(C)[C@H](O)C1 306742125 572751290 /nfs/dbraw/zinc/75/12/90/572751290.db2.gz VJCJFHXSPMGNOA-LMLFDSFASA-N 0 0 166.264 2.360 10 30 AEEERN C=C/C=C/CCNc1cnccc1C#N 713488112 572751443 /nfs/dbraw/zinc/75/14/43/572751443.db2.gz RCDDOAMFGMOXLQ-ONEGZZNKSA-N 0 0 199.257 2.497 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@@](O)([C@H](C)O)C1 306769387 572751506 /nfs/dbraw/zinc/75/15/06/572751506.db2.gz AHIPNCUUKQCZKP-NNYUYHANSA-N 0 0 198.306 2.111 10 30 AEEERN O=C1CCCCCCC(=O)C1O 307909028 572751609 /nfs/dbraw/zinc/75/16/09/572751609.db2.gz WKMZWATVVLTQNW-UHFFFAOYSA-N 0 0 170.208 2.237 10 30 AEEERN C=C[C@@H]1[C@@H]2CC[C@@H](C2=O)[C@@H]1C=C 306715608 572751735 /nfs/dbraw/zinc/75/17/35/572751735.db2.gz AIIGSEOEGNKCAQ-YNFQOJQRSA-N 0 0 162.232 2.200 10 30 AEEERN C#Cc1c(C)cc(C)cc1OC 234822078 572751926 /nfs/dbraw/zinc/75/19/26/572751926.db2.gz SEYRJPDSBANOLI-UHFFFAOYSA-N 0 0 160.216 2.293 10 30 AEEERN Cc1cc([C@@H](N)CC#N)c(C)cc1C#N 238508981 572751946 /nfs/dbraw/zinc/75/19/46/572751946.db2.gz PGPWLTVZDYFPCS-LBPRGKRZSA-N 0 0 199.257 2.089 10 30 AEEERN Cc1cccc(C(=O)CCC=O)c1 238501238 572751992 /nfs/dbraw/zinc/75/19/92/572751992.db2.gz OKGXIDGSZAKYTB-UHFFFAOYSA-N 0 0 176.215 2.157 10 30 AEEERN Cc1cnc(C2=CCCC2=O)c(C)c1 307636666 572752230 /nfs/dbraw/zinc/75/22/30/572752230.db2.gz UWNSWQIFALAKQV-UHFFFAOYSA-N 0 0 187.242 2.445 10 30 AEEERN Cc1cc([C@@H](N)CC#N)cc(C)c1C#N 238509265 572752261 /nfs/dbraw/zinc/75/22/61/572752261.db2.gz WVGLYEQHIOMCSS-LBPRGKRZSA-N 0 0 199.257 2.089 10 30 AEEERN O=CC[C@@H](C=O)c1ccccc1Cl 238502850 572752343 /nfs/dbraw/zinc/75/23/43/572752343.db2.gz IMROJGIIIIPWHS-QMMMGPOBSA-N 0 0 196.633 2.212 10 30 AEEERN C=C/C=C\CCNc1ccc(C#N)nc1 713488153 572752476 /nfs/dbraw/zinc/75/24/76/572752476.db2.gz SRIOOLHIXDPLAJ-ARJAWSKDSA-N 0 0 199.257 2.497 10 30 AEEERN O=CC[C@H](C=O)c1ccccc1Cl 238503577 572752565 /nfs/dbraw/zinc/75/25/65/572752565.db2.gz IMROJGIIIIPWHS-MRVPVSSYSA-N 0 0 196.633 2.212 10 30 AEEERN CC(=O)C1=C(O)C[C@@H]2CCC[C@H]12 307908992 572752616 /nfs/dbraw/zinc/75/26/16/572752616.db2.gz VZSDHXNFHGJMDX-HWRJELQWSA-N 0 0 166.220 2.208 10 30 AEEERN C=CC(C)(C)CNc1ccc(N)cn1 306750083 572752650 /nfs/dbraw/zinc/75/26/50/572752650.db2.gz KJRXNDFPQNUXCO-UHFFFAOYSA-N 0 0 191.278 2.288 10 30 AEEERN C#C[C@@H](C)Oc1cc(C=O)ccc1C 235247825 572752660 /nfs/dbraw/zinc/75/26/60/572752660.db2.gz ZDSJVURWHGXUCD-SNVBAGLBSA-N 0 0 188.226 2.208 10 30 AEEERN CC[C@@H](C#N)OCC1CCCC1 85487959 572752783 /nfs/dbraw/zinc/75/27/83/572752783.db2.gz HODQABAKBMWVAB-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN ON=C1CCc2ccc(Cl)cc21 307909220 572752942 /nfs/dbraw/zinc/75/29/42/572752942.db2.gz RAWGXTASQDVIDG-UHFFFAOYSA-N 0 0 181.622 2.465 10 30 AEEERN Cc1cccc(N[C@H](C)C#N)c1C#N 235247559 572753226 /nfs/dbraw/zinc/75/32/26/572753226.db2.gz FOSYLQBXKZONBS-SECBINFHSA-N 0 0 185.230 2.191 10 30 AEEERN CC[C@H](C#N)OCC1CCCC1 85487961 572753242 /nfs/dbraw/zinc/75/32/42/572753242.db2.gz HODQABAKBMWVAB-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CC#C[C@H](O)c1cc(Cl)cs1 306722501 572753314 /nfs/dbraw/zinc/75/33/14/572753314.db2.gz IWVKMUCEQJNVKZ-ZETCQYMHSA-N 0 0 186.663 2.458 10 30 AEEERN CC(=NN)c1cccc(C2CC2)c1 393491717 572753566 /nfs/dbraw/zinc/75/35/66/572753566.db2.gz ZYRFIRBFTKEBBC-UHFFFAOYSA-N 0 0 174.247 2.247 10 30 AEEERN C#CCNc1cccc(C)c1C(C)=O 306717219 572753596 /nfs/dbraw/zinc/75/35/96/572753596.db2.gz UQBBGFMXXCODSK-UHFFFAOYSA-N 0 0 187.242 2.243 10 30 AEEERN C#CC[C@H](O)c1ccc(C)cc1OC 234820464 572753701 /nfs/dbraw/zinc/75/37/01/572753701.db2.gz PFVKONUJSMVLIA-NSHDSACASA-N 0 0 190.242 2.060 10 30 AEEERN C=C[C@@H](C)Nn1c(C)ccc1C 235248785 572753787 /nfs/dbraw/zinc/75/37/87/572753787.db2.gz IIGMVOGBKZZFJO-MRVPVSSYSA-N 0 0 164.252 2.223 10 30 AEEERN CC(=O)C1=C(O)C[C@@H]2CCC[C@@H]12 307908993 572753841 /nfs/dbraw/zinc/75/38/41/572753841.db2.gz VZSDHXNFHGJMDX-MAOLIMRZSA-N 0 0 166.220 2.208 10 30 AEEERN CC(C)C[C@@H](C)OC[C@]1(C)CO1 85501718 572754196 /nfs/dbraw/zinc/75/41/96/572754196.db2.gz BHTJKCBMIJKTJV-NXEZZACHSA-N 0 0 172.268 2.227 10 30 AEEERN CCc1cccc(OC[C@@]2(C)CO2)c1 85501739 572754409 /nfs/dbraw/zinc/75/44/09/572754409.db2.gz LWESCLRGAONKPY-LBPRGKRZSA-N 0 0 192.258 2.417 10 30 AEEERN COc1c(C)cccc1C(C)=NO 714545817 572754396 /nfs/dbraw/zinc/75/43/96/572754396.db2.gz CNDKYAJVMVXIKR-UHFFFAOYSA-N 0 0 179.219 2.202 10 30 AEEERN CC(C)C[C@H](C)OC[C@@]1(C)CO1 85501721 572754434 /nfs/dbraw/zinc/75/44/34/572754434.db2.gz BHTJKCBMIJKTJV-UWVGGRQHSA-N 0 0 172.268 2.227 10 30 AEEERN CCCCCCOC[C@]1(C)CO1 85501792 572754459 /nfs/dbraw/zinc/75/44/59/572754459.db2.gz XGRHTUWJNRUGLT-SNVBAGLBSA-N 0 0 172.268 2.372 10 30 AEEERN C=C(C)[C@@H](O)/C=C(C)/C=C/C 196884112 572754608 /nfs/dbraw/zinc/75/46/08/572754608.db2.gz ZXLRYSJIDGQNPT-OLJSCQNGSA-N 0 0 152.237 2.446 10 30 AEEERN C#CCSCc1cnc(C)s1 306702775 572754680 /nfs/dbraw/zinc/75/46/80/572754680.db2.gz AMOMYATYVSEGKQ-UHFFFAOYSA-N 0 0 183.301 2.318 10 30 AEEERN C=CC(=C)[C@@H](O)C=C(C)C 196884635 572754725 /nfs/dbraw/zinc/75/47/25/572754725.db2.gz BFNBCGPXCYGNFW-VIFPVBQESA-N 0 0 138.210 2.056 10 30 AEEERN C=C1C(=O)CCC[C@H]1CC 196882548 572754753 /nfs/dbraw/zinc/75/47/53/572754753.db2.gz BXDZLBBXQKADPG-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CCc1cccc(OC[C@]2(C)CO2)c1 85501738 572754805 /nfs/dbraw/zinc/75/48/05/572754805.db2.gz LWESCLRGAONKPY-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN CCc1ccc(OC[C@]2(C)CO2)cc1 85501595 572754873 /nfs/dbraw/zinc/75/48/73/572754873.db2.gz JUBHNTVUHAKAFM-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN CCCC/C(=N/OCC)C(C)=O 307909508 572754875 /nfs/dbraw/zinc/75/48/75/572754875.db2.gz XFQJVCJFJUTJDH-KTKRTIGZSA-N 0 0 171.240 2.158 10 30 AEEERN C=CC(=C)[C@H](O)C(C)(C)C 196884594 572754879 /nfs/dbraw/zinc/75/48/79/572754879.db2.gz QEASBMGTHNRMCT-QMMMGPOBSA-N 0 0 140.226 2.136 10 30 AEEERN CC(C)(C)CCOC[C@]1(C)CO1 85501996 572754910 /nfs/dbraw/zinc/75/49/10/572754910.db2.gz RNRHLMCKEGMHHP-SNVBAGLBSA-N 0 0 172.268 2.228 10 30 AEEERN C=CC(=C)[C@H](O)C=C(C)C 196884646 572754948 /nfs/dbraw/zinc/75/49/48/572754948.db2.gz BFNBCGPXCYGNFW-SECBINFHSA-N 0 0 138.210 2.056 10 30 AEEERN CC[C@H](C)NN=CC1(C)CC1 307910026 572754994 /nfs/dbraw/zinc/75/49/94/572754994.db2.gz VVUWPXGCKZSBAS-QMMMGPOBSA-N 0 0 154.257 2.160 10 30 AEEERN C#CC[C@H](CC=C)C(=O)C=C(C)O 308112995 572755033 /nfs/dbraw/zinc/75/50/33/572755033.db2.gz QGPAZWXWOCANIJ-UBYNWHESSA-N 0 0 178.231 2.233 10 30 AEEERN C=C(C)[C@H](O)/C=C(C)/C=C/C 196884127 572755056 /nfs/dbraw/zinc/75/50/56/572755056.db2.gz ZXLRYSJIDGQNPT-VDNFYROHSA-N 0 0 152.237 2.446 10 30 AEEERN CCCC[C@H](C)N(C)[C@H](C)C#N 308113845 572755089 /nfs/dbraw/zinc/75/50/89/572755089.db2.gz LKKDBWAZPNGDET-VHSXEESVSA-N 0 0 168.284 2.409 10 30 AEEERN Cc1ccc2[nH]cc(CC(=O)C#N)c2c1 238510768 572755102 /nfs/dbraw/zinc/75/51/02/572755102.db2.gz BTCRRDWSVUFOMV-UHFFFAOYSA-N 0 0 198.225 2.112 10 30 AEEERN C[C@]1(COCc2ccccc2F)CO1 85501948 572755156 /nfs/dbraw/zinc/75/51/56/572755156.db2.gz ILPZBOFLPVMDOO-NSHDSACASA-N 0 0 196.221 2.131 10 30 AEEERN CC[C@@H](C)N=NCC1(C)CC1 307910025 572755218 /nfs/dbraw/zinc/75/52/18/572755218.db2.gz VVUWPXGCKZSBAS-MRVPVSSYSA-N 0 0 154.257 2.160 10 30 AEEERN CCCC[C@@H](C)N(C)[C@H](C)C#N 308113835 572755279 /nfs/dbraw/zinc/75/52/79/572755279.db2.gz LKKDBWAZPNGDET-NXEZZACHSA-N 0 0 168.284 2.409 10 30 AEEERN C[C@@]1(COCCc2cccs2)CO1 85501889 572755316 /nfs/dbraw/zinc/75/53/16/572755316.db2.gz LFEOEVYMVYUJRQ-SNVBAGLBSA-N 0 0 198.287 2.096 10 30 AEEERN C#C[C@H](O)C[C@@H](C)CCCC=C 308115387 572755390 /nfs/dbraw/zinc/75/53/90/572755390.db2.gz MGZABHDSRLJOEF-QWRGUYRKSA-N 0 0 166.264 2.363 10 30 AEEERN C#C[C@H](O)C[C@H](C)CCCC=C 308115386 572755497 /nfs/dbraw/zinc/75/54/97/572755497.db2.gz MGZABHDSRLJOEF-MNOVXSKESA-N 0 0 166.264 2.363 10 30 AEEERN C=CCOC(=O)[C@H]1C[C@H]1C(C)C 308115242 572755520 /nfs/dbraw/zinc/75/55/20/572755520.db2.gz MDLWVFGEBDRRDT-IUCAKERBSA-N 0 0 168.236 2.008 10 30 AEEERN CCCCCCOC[C@@]1(C)CO1 85501793 572755536 /nfs/dbraw/zinc/75/55/36/572755536.db2.gz XGRHTUWJNRUGLT-JTQLQIEISA-N 0 0 172.268 2.372 10 30 AEEERN CC(C)C[C@H](C)OC[C@]1(C)CO1 85501719 572755540 /nfs/dbraw/zinc/75/55/40/572755540.db2.gz BHTJKCBMIJKTJV-VHSXEESVSA-N 0 0 172.268 2.227 10 30 AEEERN C#CC[C@@H](CC=C)C(=O)C=C(C)O 308112994 572755687 /nfs/dbraw/zinc/75/56/87/572755687.db2.gz QGPAZWXWOCANIJ-DFYQSJSGSA-N 0 0 178.231 2.233 10 30 AEEERN C#C[C@@H](C)Oc1cccc(F)c1C=O 235253165 572755777 /nfs/dbraw/zinc/75/57/77/572755777.db2.gz GNWYPLYXGJPLCE-MRVPVSSYSA-N 0 0 192.189 2.039 10 30 AEEERN CCc1ccccc1OC[C@@]1(C)CO1 85501821 572755819 /nfs/dbraw/zinc/75/58/19/572755819.db2.gz JGJROTBRVVGEAG-LBPRGKRZSA-N 0 0 192.258 2.417 10 30 AEEERN C=CCC[C@H](O)[C@@H]1[C@@H]2C=CC[C@@H]21 308114444 572755843 /nfs/dbraw/zinc/75/58/43/572755843.db2.gz LUMWETXGSWHLSL-VPOLOUISSA-N 0 0 164.248 2.136 10 30 AEEERN C[C@]1(COCC2CCCCC2)CO1 85501916 572755857 /nfs/dbraw/zinc/75/58/57/572755857.db2.gz LJKMLQNSKQWSPU-NSHDSACASA-N 0 0 184.279 2.372 10 30 AEEERN CCc1ccccc1OC[C@]1(C)CO1 85501820 572755933 /nfs/dbraw/zinc/75/59/33/572755933.db2.gz JGJROTBRVVGEAG-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN C[C@@]1(COCC2CCCCC2)CO1 85501917 572755953 /nfs/dbraw/zinc/75/59/53/572755953.db2.gz LJKMLQNSKQWSPU-LLVKDONJSA-N 0 0 184.279 2.372 10 30 AEEERN CC#C[C@]1(O)C[C@@H](C)C[C@@H](C)C1 306753091 572755974 /nfs/dbraw/zinc/75/59/74/572755974.db2.gz LVUWTKHKQBYBNQ-JGPRNRPPSA-N 0 0 166.264 2.197 10 30 AEEERN Cc1cc([C@H](N)CC#N)c(C)cc1C#N 238520341 572756887 /nfs/dbraw/zinc/75/68/87/572756887.db2.gz PGPWLTVZDYFPCS-GFCCVEGCSA-N 0 0 199.257 2.089 10 30 AEEERN CC(C)CCCOC[C@@]1(C)CO1 85501789 572756014 /nfs/dbraw/zinc/75/60/14/572756014.db2.gz LXTOHCPUQCDSGN-JTQLQIEISA-N 0 0 172.268 2.228 10 30 AEEERN C=C(C)[C@@H](/C=C/Cl)OC 306759528 572756018 /nfs/dbraw/zinc/75/60/18/572756018.db2.gz WNKHFTGPELYHPW-SMMXGFFBSA-N 0 0 146.617 2.330 10 30 AEEERN C#CCCOc1ccc(F)cc1C=O 236205604 572756051 /nfs/dbraw/zinc/75/60/51/572756051.db2.gz JGVPSQUNGOMDDF-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN Cc1ccc2c(=O)c(C#N)c(C)[nH]c2c1 238512566 572756118 /nfs/dbraw/zinc/75/61/18/572756118.db2.gz YMSVOOCGRBWBIA-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN CCc1ccc(OC[C@@]2(C)CO2)cc1 85501596 572756167 /nfs/dbraw/zinc/75/61/67/572756167.db2.gz JUBHNTVUHAKAFM-LBPRGKRZSA-N 0 0 192.258 2.417 10 30 AEEERN CCCC[C@H](C)N(C)[C@@H](C)C#N 308113840 572756203 /nfs/dbraw/zinc/75/62/03/572756203.db2.gz LKKDBWAZPNGDET-UWVGGRQHSA-N 0 0 168.284 2.409 10 30 AEEERN C#C[C@@H](C)Oc1ccccc1C(C)=O 235255942 572756214 /nfs/dbraw/zinc/75/62/14/572756214.db2.gz HUOLEZHRFQAOBW-SECBINFHSA-N 0 0 188.226 2.290 10 30 AEEERN C#C[C@@H](O)C(C)(C)c1ccc(F)cc1 306708861 572756218 /nfs/dbraw/zinc/75/62/18/572756218.db2.gz PIFKOZZKZNVWON-LLVKDONJSA-N 0 0 192.233 2.097 10 30 AEEERN C#CCCC(=O)C=C(O)CCC=C 308113337 572756219 /nfs/dbraw/zinc/75/62/19/572756219.db2.gz QRHGLKIPKLBKJN-LUAWRHEFSA-N 0 0 178.231 2.377 10 30 AEEERN CC(C)(C)CCOC[C@@]1(C)CO1 85501995 572756224 /nfs/dbraw/zinc/75/62/24/572756224.db2.gz RNRHLMCKEGMHHP-JTQLQIEISA-N 0 0 172.268 2.228 10 30 AEEERN C=C(CCNC=O)C[Si](C)(C)C 238522414 572756241 /nfs/dbraw/zinc/75/62/41/572756241.db2.gz DUKVLVLXXYISFU-UHFFFAOYSA-N 0 0 185.343 2.017 10 30 AEEERN C#C[C@](C)(CC)Oc1cccc(F)n1 306709358 572756289 /nfs/dbraw/zinc/75/62/89/572756289.db2.gz PKZLASLNXIUCAE-LLVKDONJSA-N 0 0 193.221 2.401 10 30 AEEERN C#C[C@@H](O)C[C@H](C)CCCC=C 308115385 572756306 /nfs/dbraw/zinc/75/63/06/572756306.db2.gz MGZABHDSRLJOEF-GHMZBOCLSA-N 0 0 166.264 2.363 10 30 AEEERN COc1cc(NCCC#N)ccc1C 689705970 572756347 /nfs/dbraw/zinc/75/63/47/572756347.db2.gz RIAMYGWRCRMIHC-UHFFFAOYSA-N 0 0 190.246 2.329 10 30 AEEERN C#Cc1ccc(-c2cccc(C)c2)nn1 238522601 572756425 /nfs/dbraw/zinc/75/64/25/572756425.db2.gz MCOCTBCSMKGHAP-UHFFFAOYSA-N 0 0 194.237 2.433 10 30 AEEERN C(CCC1CC1)=NNCC1CC1 308113908 572756454 /nfs/dbraw/zinc/75/64/54/572756454.db2.gz LOBKQMPDBUIYKK-UHFFFAOYSA-N 0 0 166.268 2.162 10 30 AEEERN CCCC[C@@H](C)N(C)[C@@H](C)C#N 308113850 572756466 /nfs/dbraw/zinc/75/64/66/572756466.db2.gz LKKDBWAZPNGDET-ZJUUUORDSA-N 0 0 168.284 2.409 10 30 AEEERN CC(C)CCCOC[C@]1(C)CO1 85501788 572756501 /nfs/dbraw/zinc/75/65/01/572756501.db2.gz LXTOHCPUQCDSGN-SNVBAGLBSA-N 0 0 172.268 2.228 10 30 AEEERN C=CCOC(=O)[C@H]1C[C@@H]1C(C)C 308115229 572756545 /nfs/dbraw/zinc/75/65/45/572756545.db2.gz MDLWVFGEBDRRDT-BDAKNGLRSA-N 0 0 168.236 2.008 10 30 AEEERN C[C@]1(COCCc2cccs2)CO1 85501888 572756600 /nfs/dbraw/zinc/75/66/00/572756600.db2.gz LFEOEVYMVYUJRQ-JTQLQIEISA-N 0 0 198.287 2.096 10 30 AEEERN C[C@@]1(COCc2cccs2)CO1 85501887 572756606 /nfs/dbraw/zinc/75/66/06/572756606.db2.gz FQWRDLRRRRHORG-SECBINFHSA-N 0 0 184.260 2.054 10 30 AEEERN C=CC[C@H](O)/C=C\C[C@@H](O)CCC 308115106 572756646 /nfs/dbraw/zinc/75/66/46/572756646.db2.gz ACIZHZAASIWRJS-ZSDATDQRSA-N 0 0 184.279 2.031 10 30 AEEERN CC(C)C[C@@H](C)OC[C@@]1(C)CO1 85501720 572756668 /nfs/dbraw/zinc/75/66/68/572756668.db2.gz BHTJKCBMIJKTJV-ZJUUUORDSA-N 0 0 172.268 2.227 10 30 AEEERN C#CCc1ccc2[nH]c(=O)ccc2c1 306701829 572756708 /nfs/dbraw/zinc/75/67/08/572756708.db2.gz LMTWPYAMNSHYFB-UHFFFAOYSA-N 0 0 183.210 2.116 10 30 AEEERN N#CCCCC(=O)c1ccccc1O 35307545 572756732 /nfs/dbraw/zinc/75/67/32/572756732.db2.gz YVIFGNAYCWNFHD-UHFFFAOYSA-N 0 0 189.214 2.269 10 30 AEEERN C=CCN(CC)c1nccs1 307638775 572756829 /nfs/dbraw/zinc/75/68/29/572756829.db2.gz YVOMYGDMHPAIFJ-UHFFFAOYSA-N 0 0 168.265 2.155 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]1C(C)C 308115249 572757021 /nfs/dbraw/zinc/75/70/21/572757021.db2.gz MDLWVFGEBDRRDT-RKDXNWHRSA-N 0 0 168.236 2.008 10 30 AEEERN C#CCN(CC)c1cccc(N)c1C 307638926 572757067 /nfs/dbraw/zinc/75/70/67/572757067.db2.gz ZAATWBDQRGHLKQ-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN C#C[C@@H](C)OCc1cccc(Cl)n1 235254787 572757073 /nfs/dbraw/zinc/75/70/73/572757073.db2.gz HCAMITIKUSTMEY-MRVPVSSYSA-N 0 0 195.649 2.273 10 30 AEEERN C#CCCNc1ccccc1[C@@H](C)O 306761495 572757093 /nfs/dbraw/zinc/75/70/93/572757093.db2.gz ZUXXITSZIHZLPZ-SNVBAGLBSA-N 0 0 189.258 2.175 10 30 AEEERN C=CC[C@H](O)/C=C\C[C@H](O)CCC 308115105 572757094 /nfs/dbraw/zinc/75/70/94/572757094.db2.gz ACIZHZAASIWRJS-CGBBGSNDSA-N 0 0 184.279 2.031 10 30 AEEERN CCCC(=O)/C=C/c1cccnc1 308113548 572757115 /nfs/dbraw/zinc/75/71/15/572757115.db2.gz RISNFQSNKOECSF-VOTSOKGWSA-N 0 0 175.231 2.464 10 30 AEEERN C=CCC[C@H](O)[C@@H]1[C@H]2C=CC[C@@H]12 308114464 572757166 /nfs/dbraw/zinc/75/71/66/572757166.db2.gz LUMWETXGSWHLSL-ZRUFSTJUSA-N 0 0 164.248 2.136 10 30 AEEERN C=C1[C@@H](C)[C@H](C)[C@@H](C)C[C@H]1CO 306790560 572757271 /nfs/dbraw/zinc/75/72/71/572757271.db2.gz WBJMQWZIBRRHAW-DKIAZLNASA-N 0 0 168.280 2.463 10 30 AEEERN C=C(COCC=O)C[Si](C)(C)C 238522460 572757299 /nfs/dbraw/zinc/75/72/99/572757299.db2.gz CIQBXGDYLZNELE-UHFFFAOYSA-N 0 0 186.327 2.096 10 30 AEEERN C#CCCCSCCCC#N 307911590 572757303 /nfs/dbraw/zinc/75/73/03/572757303.db2.gz XAHGZXLGEAYHFU-UHFFFAOYSA-N 0 0 167.277 2.437 10 30 AEEERN C=C(C)[C@H](O)CC1(C)CC1 306780092 572757437 /nfs/dbraw/zinc/75/74/37/572757437.db2.gz DLXSBGANLJODFC-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C[C@@H](CC#N)CC(F)F 117714443 572757518 /nfs/dbraw/zinc/75/75/18/572757518.db2.gz VCOFSPROEZUSIP-YFKPBYRVSA-N 0 0 133.141 2.191 10 30 AEEERN C=C[C@H]1[C@@H](CO)C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 306748635 572757538 /nfs/dbraw/zinc/75/75/38/572757538.db2.gz CPBRASJNBQBUBT-HDLKOFKZSA-N 0 0 190.286 2.239 10 30 AEEERN Cc1cc(C)c(O[C@H](C)C#N)cc1N 235254162 572757696 /nfs/dbraw/zinc/75/76/96/572757696.db2.gz RVDJMOHWUWPEAL-SECBINFHSA-N 0 0 190.246 2.177 10 30 AEEERN C=C(COC)[C@@]1(O)CC2CCC1CC2 306733532 572757767 /nfs/dbraw/zinc/75/77/67/572757767.db2.gz IDXGEFGZMJVNGY-MCIGGMRASA-N 0 0 196.290 2.130 10 30 AEEERN C[C@H](CC#N)CC(F)F 117714445 572757974 /nfs/dbraw/zinc/75/79/74/572757974.db2.gz VCOFSPROEZUSIP-RXMQYKEDSA-N 0 0 133.141 2.191 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@]1(C#N)NC1CC1 235338387 572759557 /nfs/dbraw/zinc/75/95/57/572759557.db2.gz AHUFSGUXQDXLPK-SKDRFNHKSA-N 0 0 192.306 2.457 10 30 AEEERN C/C=C/C[C@H](C)[C@H](OC)[C@H](C)C=O 308115907 572758359 /nfs/dbraw/zinc/75/83/59/572758359.db2.gz VEXGMZWYNCVISK-VJZJGBKASA-N 0 0 184.279 2.439 10 30 AEEERN C=CCSCCCc1cn[nH]c1 308115666 572758367 /nfs/dbraw/zinc/75/83/67/572758367.db2.gz MJXINSGRVVEDEU-UHFFFAOYSA-N 0 0 182.292 2.262 10 30 AEEERN C=C[C@H](C)[C@H]1C=CCC[C@H]1O 306785710 572758368 /nfs/dbraw/zinc/75/83/68/572758368.db2.gz KACXTYLCXRBIOL-IVZWLZJFSA-N 0 0 152.237 2.136 10 30 AEEERN C=CC[C@H](O)/C=C/C=C\CC 307921397 572758413 /nfs/dbraw/zinc/75/84/13/572758413.db2.gz LGGQHPMWPIHDDM-GMYUVZAFSA-N 0 0 152.237 2.446 10 30 AEEERN C=CCN(C)c1cc(C)cc(N)c1 306744447 572758432 /nfs/dbraw/zinc/75/84/32/572758432.db2.gz IJHBTDOPFFCPER-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN Fc1cncc(OC/C=C\CS)c1 308116294 572758467 /nfs/dbraw/zinc/75/84/67/572758467.db2.gz YMWJBDZDNRKUII-UPHRSURJSA-N 0 0 199.250 2.086 10 30 AEEERN CC(=O)/C=C/CCC[C@@H](C)C=O 307911751 572758535 /nfs/dbraw/zinc/75/85/35/572758535.db2.gz IXLQJLJOICBRDG-VPIOIWJLSA-N 0 0 168.236 2.137 10 30 AEEERN OCCC#Cc1c(F)cccc1Cl 306724554 572758783 /nfs/dbraw/zinc/75/87/83/572758783.db2.gz IVFVYCGAKJGFNB-UHFFFAOYSA-N 0 0 198.624 2.213 10 30 AEEERN Fc1cncc(OC/C=C/CS)c1 308116292 572759035 /nfs/dbraw/zinc/75/90/35/572759035.db2.gz YMWJBDZDNRKUII-OWOJBTEDSA-N 0 0 199.250 2.086 10 30 AEEERN C[C@]1(CSCc2ccco2)CO1 85502077 572759123 /nfs/dbraw/zinc/75/91/23/572759123.db2.gz FHOBZBCNIFJGHY-SECBINFHSA-N 0 0 184.260 2.302 10 30 AEEERN C/C=C/[C@H](OCC)C(C)(C)C=O 307911697 572759164 /nfs/dbraw/zinc/75/91/64/572759164.db2.gz HEYDIKXNPIOXPY-IWGCBNPKSA-N 0 0 170.252 2.193 10 30 AEEERN C[C@H](C#N)Oc1ccc(F)cc1F 55278958 572759295 /nfs/dbraw/zinc/75/92/95/572759295.db2.gz MLDJORXUBCKFFY-ZCFIWIBFSA-N 0 0 183.157 2.256 10 30 AEEERN C=CCN(CCC)C(=NC#N)SC 308115388 572759433 /nfs/dbraw/zinc/75/94/33/572759433.db2.gz UFCHOEOWEJGHRP-UHFFFAOYSA-N 0 0 197.307 2.084 10 30 AEEERN C=C1CC[C@@]2(CO)C=CC=C[C@@H]12 306754660 572759792 /nfs/dbraw/zinc/75/97/92/572759792.db2.gz KIHIVYCXLYFJAW-WDEREUQCSA-N 0 0 162.232 2.057 10 30 AEEERN C=C(C)[C@@H]([NH3+])c1cccc(OC)c1F 306769408 572759836 /nfs/dbraw/zinc/75/98/36/572759836.db2.gz AGYWPEDOOBFTSQ-LLVKDONJSA-N 0 0 195.237 2.410 10 30 AEEERN CO[C@@H](C)C=NNCCC(C)(C)C 393483550 572760010 /nfs/dbraw/zinc/76/00/10/572760010.db2.gz JWNYGQJIKGQOJR-VIFPVBQESA-N 0 0 186.299 2.033 10 30 AEEERN CC(C)(S)/C=C\CCCCO 307911978 572760119 /nfs/dbraw/zinc/76/01/19/572760119.db2.gz ITOQPGFZQNWUBP-ALCCZGGFSA-N 0 0 174.309 2.414 10 30 AEEERN C/C=C/[C@@H](OCC)C(C)(C)C=O 307911698 572760468 /nfs/dbraw/zinc/76/04/68/572760468.db2.gz HEYDIKXNPIOXPY-VPIOIWJLSA-N 0 0 170.252 2.193 10 30 AEEERN C=C(C)CNc1cccnc1N(C)C 306734728 572760477 /nfs/dbraw/zinc/76/04/77/572760477.db2.gz OLHOHJOSSZQHNH-UHFFFAOYSA-N 0 0 191.278 2.136 10 30 AEEERN C#C/C=C/[C@@H](C)[C@H]1CCCC1=O 306778761 572760537 /nfs/dbraw/zinc/76/05/37/572760537.db2.gz RYQVDEVEXUHEES-NEPGKVPFSA-N 0 0 162.232 2.181 10 30 AEEERN C=C(Cl)CSCCC(=O)OC 307921449 572760559 /nfs/dbraw/zinc/76/05/59/572760559.db2.gz LNRQDEHOCHDNAJ-UHFFFAOYSA-N 0 0 194.683 2.035 10 30 AEEERN Cc1ccc2c(CC(=O)C#N)c[nH]c2c1 238518172 572760573 /nfs/dbraw/zinc/76/05/73/572760573.db2.gz AWLRXZHOSHFATN-UHFFFAOYSA-N 0 0 198.225 2.112 10 30 AEEERN C[C@@]1(CSCc2ccco2)CO1 85502078 572760581 /nfs/dbraw/zinc/76/05/81/572760581.db2.gz FHOBZBCNIFJGHY-VIFPVBQESA-N 0 0 184.260 2.302 10 30 AEEERN C=C[C@H](C)OC(=O)CCCC 307921714 572760595 /nfs/dbraw/zinc/76/05/95/572760595.db2.gz LVFCIRROYPIHIC-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN CC(=O)/C=C/CCC[C@H](C)C=O 307911750 572760767 /nfs/dbraw/zinc/76/07/67/572760767.db2.gz IXLQJLJOICBRDG-IWGCBNPKSA-N 0 0 168.236 2.137 10 30 AEEERN C=C1CCCC(=O)[C@@H]2CCC[C@H](O)[C@H]12 306708696 572760817 /nfs/dbraw/zinc/76/08/17/572760817.db2.gz LCLQVRXQBPLMDU-ZMLRMANQSA-N 0 0 194.274 2.073 10 30 AEEERN C#C/C=C/[C@H](C)[C@H]1CCCC1=O 306778762 572761056 /nfs/dbraw/zinc/76/10/56/572761056.db2.gz RYQVDEVEXUHEES-RQMIITCSSA-N 0 0 162.232 2.181 10 30 AEEERN C=C[C@@H](C)OC(=O)CCCC 307921713 572761096 /nfs/dbraw/zinc/76/10/96/572761096.db2.gz LVFCIRROYPIHIC-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN C[C@@H](C#N)Oc1ccc(F)cc1F 55278956 572761141 /nfs/dbraw/zinc/76/11/41/572761141.db2.gz MLDJORXUBCKFFY-LURJTMIESA-N 0 0 183.157 2.256 10 30 AEEERN N#CCCCC/C=C\[C@@H]1C[C@@H]1C=O 308116095 572761186 /nfs/dbraw/zinc/76/11/86/572761186.db2.gz VSDZFTJICDOAMW-DPIUTZRQSA-N 0 0 177.247 2.462 10 30 AEEERN C#C[C@@H](O)C[C@@H](C)CCCC=C 308115560 572761401 /nfs/dbraw/zinc/76/14/01/572761401.db2.gz MGZABHDSRLJOEF-WDEREUQCSA-N 0 0 166.264 2.363 10 30 AEEERN C/C=C/C=C/COCCCC=O 307914944 572761524 /nfs/dbraw/zinc/76/15/24/572761524.db2.gz VXZKAJGZIVALLP-WJPDYIDTSA-N 0 0 168.236 2.114 10 30 AEEERN C/C=C/[C@@H](CC=O)CCCC#N 307914013 572761883 /nfs/dbraw/zinc/76/18/83/572761883.db2.gz RSSYKYBSLOUVEX-JYBNPQIESA-N 0 0 165.236 2.462 10 30 AEEERN C=CCN(C(=O)/C=C\C)C(C)(C)C 308111797 572761895 /nfs/dbraw/zinc/76/18/95/572761895.db2.gz OSJLSEYGEISJGU-VURMDHGXSA-N 0 0 181.279 2.376 10 30 AEEERN C=C[C@H](O)[C@H](O)/C(=C/CCC)CC 308121425 572761931 /nfs/dbraw/zinc/76/19/31/572761931.db2.gz JZTWSSDKJWNPOG-CJUJNCCTSA-N 0 0 184.279 2.031 10 30 AEEERN Cc1cc(C#N)cc(NC[C@@H](C)C#N)c1 308121041 572761938 /nfs/dbraw/zinc/76/19/38/572761938.db2.gz IWGUWJIXZVBGMV-JTQLQIEISA-N 0 0 199.257 2.438 10 30 AEEERN CC[C@@H](C)C=NNC(C)(C)C 307912404 572761954 /nfs/dbraw/zinc/76/19/54/572761954.db2.gz XUBOLJGRWACQHV-MRVPVSSYSA-N 0 0 156.273 2.406 10 30 AEEERN CCS/C=C\C#C[C@H](O)CC 307914514 572762112 /nfs/dbraw/zinc/76/21/12/572762112.db2.gz OPSBBGGLZIUAGL-JGAIRUGNSA-N 0 0 170.277 2.028 10 30 AEEERN CC#C[C@H](O)c1cccc(C)c1F 306720709 572762124 /nfs/dbraw/zinc/76/21/24/572762124.db2.gz NPDAPNLXHOMVBH-JTQLQIEISA-N 0 0 178.206 2.191 10 30 AEEERN C#C[C@H](O)/C(=C/C1=CCCC1)CC 141501453 572765335 /nfs/dbraw/zinc/76/53/35/572765335.db2.gz USLQSYWJILWTMF-ZKQHCESOSA-N 0 0 176.259 2.427 10 30 AEEERN C#C/C(C)=C/[C@H](O)CCCC 307912463 572762654 /nfs/dbraw/zinc/76/26/54/572762654.db2.gz JTVPMGVMPJLTPF-AAXQSMANSA-N 0 0 152.237 2.117 10 30 AEEERN CC(C)C/C=C\C(=O)CCCCO 308121614 572762742 /nfs/dbraw/zinc/76/27/42/572762742.db2.gz LBSIVLXDUQJADW-YVMONPNESA-N 0 0 184.279 2.320 10 30 AEEERN CCOCCS[C@@H](C#N)CC 307912762 572762776 /nfs/dbraw/zinc/76/27/76/572762776.db2.gz YECWAASZUAZCMU-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN C=CCCCCC[C@H](NN)C1CC1 236219929 572763028 /nfs/dbraw/zinc/76/30/28/572763028.db2.gz NFLJRMFRWGWGTR-NSHDSACASA-N 0 0 182.311 2.365 10 30 AEEERN C=C1CCCC/C1=C\CCO 307914148 572763047 /nfs/dbraw/zinc/76/30/47/572763047.db2.gz NKIXNAHKWOGDNZ-JXMROGBWSA-N 0 0 152.237 2.425 10 30 AEEERN C=C(C)[C@H]1C[C@H](C)CC[C@@H]1O 307745360 572763070 /nfs/dbraw/zinc/76/30/70/572763070.db2.gz RNUNGLDASUYYOE-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C#CCCSc1cccc(CO)c1 85537273 572763146 /nfs/dbraw/zinc/76/31/46/572763146.db2.gz IGFFTLDISDOHQK-UHFFFAOYSA-N 0 0 192.283 2.294 10 30 AEEERN O=C1C=CC(=O)CCCCCC1 307913625 572763250 /nfs/dbraw/zinc/76/32/50/572763250.db2.gz QARWNDGXQDNCGN-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CC[C@H](C)C=NNC(C)(C)C 307912405 572763401 /nfs/dbraw/zinc/76/34/01/572763401.db2.gz XUBOLJGRWACQHV-QMMMGPOBSA-N 0 0 156.273 2.406 10 30 AEEERN Cc1scc(C#CC#N)c1C 306716812 572763651 /nfs/dbraw/zinc/76/36/51/572763651.db2.gz GCAVDCBLRUOZSU-UHFFFAOYSA-N 0 0 161.229 2.240 10 30 AEEERN CCN(C)N=CCCC1CC1 307913777 572763636 /nfs/dbraw/zinc/76/36/36/572763636.db2.gz ZZEUJHYRVXZKAF-UHFFFAOYSA-N 0 0 154.257 2.114 10 30 AEEERN C=CCCC/C=C/CNC(C)=O 307912977 572763750 /nfs/dbraw/zinc/76/37/50/572763750.db2.gz MVAWTWDULVCJAH-BQYQJAHWSA-N 0 0 167.252 2.035 10 30 AEEERN C[C@H]1C[C@@H]1C=NOCC1CC1 307913922 572763801 /nfs/dbraw/zinc/76/38/01/572763801.db2.gz AGRFYNIZPDFNJW-IONNQARKSA-N 0 0 153.225 2.055 10 30 AEEERN OCCC/N=C\c1ccc(Cl)cc1 308121659 572763811 /nfs/dbraw/zinc/76/38/11/572763811.db2.gz LLRXWHJXZLVKPG-WQLSENKSSA-N 0 0 197.665 2.141 10 30 AEEERN C/C=C/[C@H](CC=O)CCCC#N 307914012 572763814 /nfs/dbraw/zinc/76/38/14/572763814.db2.gz RSSYKYBSLOUVEX-FWYAXHSGSA-N 0 0 165.236 2.462 10 30 AEEERN C=CCOCc1ccc(F)c(C#N)c1 236216506 572763882 /nfs/dbraw/zinc/76/38/82/572763882.db2.gz DPMCPKPXKSCSNU-UHFFFAOYSA-N 0 0 191.205 2.400 10 30 AEEERN C[C@H]1C[C@H]1C=NOCC1CC1 307913921 572763956 /nfs/dbraw/zinc/76/39/56/572763956.db2.gz AGRFYNIZPDFNJW-CBAPKCEASA-N 0 0 153.225 2.055 10 30 AEEERN Cc1cc(C#N)cc(NC[C@H](C)C#N)c1 308121042 572763969 /nfs/dbraw/zinc/76/39/69/572763969.db2.gz IWGUWJIXZVBGMV-SNVBAGLBSA-N 0 0 199.257 2.438 10 30 AEEERN CCS/C=C\C#C[C@@H](O)CC 307914515 572764079 /nfs/dbraw/zinc/76/40/79/572764079.db2.gz OPSBBGGLZIUAGL-XZLDQRQTSA-N 0 0 170.277 2.028 10 30 AEEERN C#CC(C)(C)[N@H+](C)C/C=C\Cl 307913902 572764133 /nfs/dbraw/zinc/76/41/33/572764133.db2.gz ADOFDEJPIKOOTO-SREVYHEPSA-N 0 0 171.671 2.083 10 30 AEEERN C=C(Cl)COC(=O)CCSC 307913542 572764176 /nfs/dbraw/zinc/76/41/76/572764176.db2.gz ZMCIAMHAYYRRIO-UHFFFAOYSA-N 0 0 194.683 2.035 10 30 AEEERN C[C@@H]1C[C@H]1C=NOCC1CC1 307913920 572764187 /nfs/dbraw/zinc/76/41/87/572764187.db2.gz AGRFYNIZPDFNJW-APPZFPTMSA-N 0 0 153.225 2.055 10 30 AEEERN CC(C)C=NNCC1CCCC1 308120808 572764264 /nfs/dbraw/zinc/76/42/64/572764264.db2.gz POFJKKGPXHHMCU-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN C[C@@H]1C[C@@H]1C=NOCC1CC1 307913923 572764339 /nfs/dbraw/zinc/76/43/39/572764339.db2.gz AGRFYNIZPDFNJW-VXNVDRBHSA-N 0 0 153.225 2.055 10 30 AEEERN N#Cc1ccc(NCc2cc[nH]c2)cc1 85578752 572764350 /nfs/dbraw/zinc/76/43/50/572764350.db2.gz IBCIRHHSBRLSHY-UHFFFAOYSA-N 0 0 197.241 2.498 10 30 AEEERN CO/C=C1/CC[C@@H](CCC=O)C1 307912966 572764352 /nfs/dbraw/zinc/76/43/52/572764352.db2.gz MTUVNXXORKLGNH-URLRMUCDSA-N 0 0 168.236 2.296 10 30 AEEERN C=CCCCCC[C@H](NN)C(F)F 236219840 572764455 /nfs/dbraw/zinc/76/44/55/572764455.db2.gz KKJDZOZZNYEMGV-QMMMGPOBSA-N 0 0 192.253 2.220 10 30 AEEERN CC[C@H](C#N)[C@H](O)CCC(C)C 394050513 572764538 /nfs/dbraw/zinc/76/45/38/572764538.db2.gz GFLDWFAWHXTDFT-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN CC(C)N(CC#N)C[Si](C)(C)C 308120941 572764621 /nfs/dbraw/zinc/76/46/21/572764621.db2.gz PSXNEIGDWJCIBD-UHFFFAOYSA-N 0 0 184.359 2.098 10 30 AEEERN C=C[C@H](C)/C=C\[C@@H](O)C(C)C 307916822 572764638 /nfs/dbraw/zinc/76/46/38/572764638.db2.gz XYZNSCZGYWUITB-SMWNKPDJSA-N 0 0 154.253 2.382 10 30 AEEERN CC1=C/C(=N/CCO)CC(C)(C)C1 308120948 572764705 /nfs/dbraw/zinc/76/47/05/572764705.db2.gz IFRVHHXHUSDTAM-BENRWUELSA-N 0 0 181.279 2.186 10 30 AEEERN C=C(C(=O)CC1CC1)C(F)(F)F 308111624 572764867 /nfs/dbraw/zinc/76/48/67/572764867.db2.gz KIXUHOLUERZSJQ-UHFFFAOYSA-N 0 0 178.153 2.474 10 30 AEEERN CCCC(Cl)=NOC(=O)NCC 307915491 572764969 /nfs/dbraw/zinc/76/49/69/572764969.db2.gz ZDGPHHZWPRKYFA-UHFFFAOYSA-N 0 0 192.646 2.085 10 30 AEEERN C[C@H](CC(C)(C)C)/C(C=O)=N\[O-] 307915313 572765013 /nfs/dbraw/zinc/76/50/13/572765013.db2.gz XTICXKUZRHNLEZ-JAGWFPCYSA-N 0 0 171.240 2.088 10 30 AEEERN C=CCN(C)c1nc(C)cs1 306710467 572765052 /nfs/dbraw/zinc/76/50/52/572765052.db2.gz MUAXITRUSVDORK-UHFFFAOYSA-N 0 0 168.265 2.074 10 30 AEEERN C#C[C@@H](O)/C=C(/C)c1ccccc1 141601834 572765133 /nfs/dbraw/zinc/76/51/33/572765133.db2.gz CLZXCHCYWCHDIA-ZWLSGLHFSA-N 0 0 172.227 2.084 10 30 AEEERN CC[C@H](C=O)[C@@H](CC)[C@H](C)C=O 307915070 572765237 /nfs/dbraw/zinc/76/52/37/572765237.db2.gz WIIZVYSHOHIIGZ-BBBLOLIVSA-N 0 0 170.252 2.073 10 30 AEEERN C=C1[C@H](CO)C[C@H](C)[C@H](C)[C@H]1C 306790559 572765239 /nfs/dbraw/zinc/76/52/39/572765239.db2.gz WBJMQWZIBRRHAW-CKEKPRIKSA-N 0 0 168.280 2.463 10 30 AEEERN C=C[C@@H](O)C1(OC)CCCCCC1 306747708 572765301 /nfs/dbraw/zinc/76/53/01/572765301.db2.gz JIIQXARTMLNZLS-SNVBAGLBSA-N 0 0 184.279 2.273 10 30 AEEERN C=CC[C@H](O)[C@H](SC)C(C)C 307917820 572765323 /nfs/dbraw/zinc/76/53/23/572765323.db2.gz COAZVTJAYYKADX-DTWKUNHWSA-N 0 0 174.309 2.311 10 30 AEEERN C=C(C)CC(=O)N[C@@H](C)C(C)C 308122702 572765376 /nfs/dbraw/zinc/76/53/76/572765376.db2.gz RQKJMSTZPBURQY-VIFPVBQESA-N 0 0 169.268 2.113 10 30 AEEERN C=CC[C@H](C)[C@@H](CO)C(=C)C 307918109 572765563 /nfs/dbraw/zinc/76/55/63/572765563.db2.gz DJUCQPUKQJDFJE-UWVGGRQHSA-N 0 0 154.253 2.383 10 30 AEEERN C#C[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C 306717604 572765755 /nfs/dbraw/zinc/76/57/55/572765755.db2.gz VJGYSQCWXDLACE-JBLDHEPKSA-N 0 0 180.291 2.443 10 30 AEEERN C=CCCCn1ccc(C=O)c1 85580648 572765813 /nfs/dbraw/zinc/76/58/13/572765813.db2.gz JFVVBSOUQJNLPL-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN CCC[C@H](O)[C@@H](C)C(=O)/C=C\Cl 307918255 572765861 /nfs/dbraw/zinc/76/58/61/572765861.db2.gz TZPRQAQBHNCGNY-BWNLKHSUSA-N 0 0 190.670 2.105 10 30 AEEERN CON=C1CCC[C@H]1CCF 307917921 572765902 /nfs/dbraw/zinc/76/59/02/572765902.db2.gz CURFIWSEHFXRCW-ZETCQYMHSA-N 0 0 159.204 2.149 10 30 AEEERN C=C[C@H]1CC(CC)(CC)[C@@H]1O 306741009 572766040 /nfs/dbraw/zinc/76/60/40/572766040.db2.gz CXDTWTKQWPPQNJ-DTWKUNHWSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC[C@@H](C)[C@H](CO)C(=C)C 307918105 572766063 /nfs/dbraw/zinc/76/60/63/572766063.db2.gz DJUCQPUKQJDFJE-NXEZZACHSA-N 0 0 154.253 2.383 10 30 AEEERN CC(C)(C#N)CCn1ccc(C=O)c1 85580721 572766158 /nfs/dbraw/zinc/76/61/58/572766158.db2.gz DGHSKJUYYDHQDL-UHFFFAOYSA-N 0 0 190.246 2.240 10 30 AEEERN C=CC[C@@H](O)[C@H](SC)C(C)C 307917823 572766220 /nfs/dbraw/zinc/76/62/20/572766220.db2.gz COAZVTJAYYKADX-RKDXNWHRSA-N 0 0 174.309 2.311 10 30 AEEERN C=C[C@@H]1[C@H](CC)[C@@H]2CC[C@H]1[C@H]2O 307752355 572766279 /nfs/dbraw/zinc/76/62/79/572766279.db2.gz RIDOQJHGWTYSMD-NZHYYXIDSA-N 0 0 166.264 2.216 10 30 AEEERN C=C([C@@H](O)CC1CC1)C(F)(F)F 308122440 572766322 /nfs/dbraw/zinc/76/63/22/572766322.db2.gz RLONSVPAQMNIDW-ZETCQYMHSA-N 0 0 180.169 2.266 10 30 AEEERN C=CC[C@H](O)[C@@H](SC)C(C)C 307917822 572766703 /nfs/dbraw/zinc/76/67/03/572766703.db2.gz COAZVTJAYYKADX-IUCAKERBSA-N 0 0 174.309 2.311 10 30 AEEERN C=C1[C@H]2C=C[C@H](CC2)[C@H]1C(C)=O 306747178 572766709 /nfs/dbraw/zinc/76/67/09/572766709.db2.gz BXTYLIGTNNYDHM-HBNTYKKESA-N 0 0 162.232 2.344 10 30 AEEERN CC(=CC=O)CC(=O)CC(C)C 307915095 572766739 /nfs/dbraw/zinc/76/67/39/572766739.db2.gz WTZKDZAQHYFEBX-CLFYSBASSA-N 0 0 168.236 2.137 10 30 AEEERN CC[C@H](C=O)[C@H](CC)[C@H](C)C=O 307915071 572766800 /nfs/dbraw/zinc/76/68/00/572766800.db2.gz WIIZVYSHOHIIGZ-OPRDCNLKSA-N 0 0 170.252 2.073 10 30 AEEERN C[C@@H](CC(C)(C)C)/C(C=O)=N\[O-] 307915314 572766866 /nfs/dbraw/zinc/76/68/66/572766866.db2.gz XTICXKUZRHNLEZ-SGXDDJEGSA-N 0 0 171.240 2.088 10 30 AEEERN C=CCOc1cc(C)c(C#N)c(C)n1 306735029 572766872 /nfs/dbraw/zinc/76/68/72/572766872.db2.gz OWMVIOHWPWPSQO-UHFFFAOYSA-N 0 0 188.230 2.135 10 30 AEEERN CC(C)[C@H](O)[C@H](C)[C@@H]1O[C@H]1C(C)C 308122362 572766954 /nfs/dbraw/zinc/76/69/54/572766954.db2.gz OBENSQPYNMZWBP-NAKRPEOUSA-N 0 0 186.295 2.063 10 30 AEEERN C=C(C[C@H](C)CO)C[C@H](O)CCC 308122292 572766963 /nfs/dbraw/zinc/76/69/63/572766963.db2.gz NKTPMMJUXGHISX-WDEREUQCSA-N 0 0 186.295 2.112 10 30 AEEERN C=CC[C@@H](C)[C@@H](CO)C(=C)C 307918115 572766984 /nfs/dbraw/zinc/76/69/84/572766984.db2.gz DJUCQPUKQJDFJE-ZJUUUORDSA-N 0 0 154.253 2.383 10 30 AEEERN C=C1C[C@H]2[C@H](C1)CC(C)(C)[C@@H]2O 306703345 572767005 /nfs/dbraw/zinc/76/70/05/572767005.db2.gz GRAHRQDWILUMLQ-KXUCPTDWSA-N 0 0 166.264 2.360 10 30 AEEERN CC(C)(C)C=NN[C@H]1CCSC1 308123045 572767084 /nfs/dbraw/zinc/76/70/84/572767084.db2.gz SBAYYGYILAPFDN-QMMMGPOBSA-N 0 0 186.324 2.113 10 30 AEEERN CC(C)[C@H](O)[C@H](C)[C@H]1O[C@@H]1C(C)C 308122364 572767137 /nfs/dbraw/zinc/76/71/37/572767137.db2.gz OBENSQPYNMZWBP-UKKRHICBSA-N 0 0 186.295 2.063 10 30 AEEERN C=CCCCn1cccc1C=O 85580289 572767142 /nfs/dbraw/zinc/76/71/42/572767142.db2.gz PTLBWNKYRCNGIK-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN CC#C/C(Cl)=C\Cl 307764743 572767161 /nfs/dbraw/zinc/76/71/61/572767161.db2.gz NNQVNKWDOADXGE-SNAWJCMRSA-N 0 0 134.993 2.329 10 30 AEEERN C=C(COCc1ccccc1)[C@@H](C)O 306702730 572767349 /nfs/dbraw/zinc/76/73/49/572767349.db2.gz AKDSFGHPUJZMOK-LLVKDONJSA-N 0 0 192.258 2.140 10 30 AEEERN CC(C)[C@H](O)[C@H](C)[C@H]1O[C@H]1C(C)C 308122365 572767423 /nfs/dbraw/zinc/76/74/23/572767423.db2.gz OBENSQPYNMZWBP-XWLWVQCSSA-N 0 0 186.295 2.063 10 30 AEEERN CC#C[C@@H](O)c1cccc(C)c1F 306720710 572767508 /nfs/dbraw/zinc/76/75/08/572767508.db2.gz NPDAPNLXHOMVBH-SNVBAGLBSA-N 0 0 178.206 2.191 10 30 AEEERN CCCCNC(=O)/N=C(\C)CC 307915661 572767525 /nfs/dbraw/zinc/76/75/25/572767525.db2.gz JIZOKNJIWSZUGT-DHZHZOJOSA-N 0 0 170.256 2.367 10 30 AEEERN C#C[C@@H](O)/C(=C/C1=CCCC1)CC 141501811 572767529 /nfs/dbraw/zinc/76/75/29/572767529.db2.gz USLQSYWJILWTMF-LMMOQWNQSA-N 0 0 176.259 2.427 10 30 AEEERN C=C([C@H](O)CC1CC1)C(F)(F)F 308122439 572767577 /nfs/dbraw/zinc/76/75/77/572767577.db2.gz RLONSVPAQMNIDW-SSDOTTSWSA-N 0 0 180.169 2.266 10 30 AEEERN C=C(F)C[C@H](O)c1ccco1 306747561 572767605 /nfs/dbraw/zinc/76/76/05/572767605.db2.gz FHYXOSFHGLACJB-ZETCQYMHSA-N 0 0 156.156 2.186 10 30 AEEERN C=CC[C@H](C)[C@H](CO)C(=C)C 307918112 572767609 /nfs/dbraw/zinc/76/76/09/572767609.db2.gz DJUCQPUKQJDFJE-VHSXEESVSA-N 0 0 154.253 2.383 10 30 AEEERN CC#CCn1cc(CO)c2ccccc21 85587667 572767721 /nfs/dbraw/zinc/76/77/21/572767721.db2.gz DCAUYVZEHINYLA-UHFFFAOYSA-N 0 0 199.253 2.157 10 30 AEEERN C=C(CC)Cn1ccc(C=O)c1 85580850 572768071 /nfs/dbraw/zinc/76/80/71/572768071.db2.gz IVYFAUKKLXEQAB-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN C#C[C@@H](O)/C(Cl)=C\c1ccccc1 308122070 572768134 /nfs/dbraw/zinc/76/81/34/572768134.db2.gz MQDBHSGSGFUPOT-RJCSOLBVSA-N 0 0 192.645 2.260 10 30 AEEERN O=CCC/C=C/c1ccccn1 307919712 572768153 /nfs/dbraw/zinc/76/81/53/572768153.db2.gz ZQUDESOUIZYABO-QHHAFSJGSA-N 0 0 161.204 2.074 10 30 AEEERN CC#C[C@H](O)[C@H]1CCC[C@H](C)C1 306793854 572768241 /nfs/dbraw/zinc/76/82/41/572768241.db2.gz RVYSSMUCLGIZGE-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@H](O)/C(Cl)=C\c1ccccc1 308122071 572768407 /nfs/dbraw/zinc/76/84/07/572768407.db2.gz MQDBHSGSGFUPOT-UQSGXBNBSA-N 0 0 192.645 2.260 10 30 AEEERN CC(C)(C)C=NN[C@@H]1CCSC1 308123044 572768416 /nfs/dbraw/zinc/76/84/16/572768416.db2.gz SBAYYGYILAPFDN-MRVPVSSYSA-N 0 0 186.324 2.113 10 30 AEEERN C=CC[Si](C)(C)/C=C\[C@H](C)O 307918660 572768511 /nfs/dbraw/zinc/76/85/11/572768511.db2.gz FHKOETAITCKCRK-XZLDQRQTSA-N 0 0 170.328 2.357 10 30 AEEERN C=CCCOC(=O)/C=C\CC 307920286 572768515 /nfs/dbraw/zinc/76/85/15/572768515.db2.gz JMGCVSCLVMWYCQ-ALCCZGGFSA-N 0 0 154.209 2.072 10 30 AEEERN C=C(C)[C@@H]1C[C@@H]2O[C@]2(C)[C@@H](O)C1(C)C 306796972 572768704 /nfs/dbraw/zinc/76/87/04/572768704.db2.gz ABBOKKOLSBFICI-GMOBBJLQSA-N 0 0 196.290 2.127 10 30 AEEERN CCCCC=NNCC1CC1 307918665 572768717 /nfs/dbraw/zinc/76/87/17/572768717.db2.gz FHXRFJKKEYWZRS-UHFFFAOYSA-N 0 0 154.257 2.162 10 30 AEEERN Cl/C=C\CON=C1CCSC1 307920042 572768831 /nfs/dbraw/zinc/76/88/31/572768831.db2.gz IHMXZUPFMKNDFD-XDQLXLJESA-N 0 0 191.683 2.248 10 30 AEEERN C=CC[Si](C)(C)/C=C\[C@@H](C)O 307918659 572768871 /nfs/dbraw/zinc/76/88/71/572768871.db2.gz FHKOETAITCKCRK-JGAIRUGNSA-N 0 0 170.328 2.357 10 30 AEEERN CCO/C=C\C(=O)[C@H](C)CC 307931840 572771626 /nfs/dbraw/zinc/77/16/26/572771626.db2.gz VPKKHVIHFXXCRD-NFXKFNAJSA-N 0 0 156.225 2.152 10 30 AEEERN CC(C)CC=NNC[C@@H]1C[C@@H]1C 308123441 572769062 /nfs/dbraw/zinc/76/90/62/572769062.db2.gz SLBUASOATOQERS-UWVGGRQHSA-N 0 0 168.284 2.264 10 30 AEEERN C/C=C\[C@H](O)[C@@H](C=NO)CCCC 308123699 572769190 /nfs/dbraw/zinc/76/91/90/572769190.db2.gz UABUADQUFFLXBP-BOTPNDECSA-N 0 0 185.267 2.190 10 30 AEEERN Cl/C=C/CON=C1CCSC1 307920041 572769204 /nfs/dbraw/zinc/76/92/04/572769204.db2.gz IHMXZUPFMKNDFD-CSVLMZOUSA-N 0 0 191.683 2.248 10 30 AEEERN C/C=C\[C@H](O)[C@H](C=NO)CCCC 308123702 572769233 /nfs/dbraw/zinc/76/92/33/572769233.db2.gz UABUADQUFFLXBP-QUYIFXOYSA-N 0 0 185.267 2.190 10 30 AEEERN C=C1CC[C@@H](O)C(C)(C)[C@@H]1/C=C/OC 306725759 572769341 /nfs/dbraw/zinc/76/93/41/572769341.db2.gz LDUXDTZLLZRURE-QSNNZYTBSA-N 0 0 196.290 2.500 10 30 AEEERN C/C=C/[C@H](O)[C@H](C=NO)CCCC 308123700 572769472 /nfs/dbraw/zinc/76/94/72/572769472.db2.gz UABUADQUFFLXBP-DHYZKEOQSA-N 0 0 185.267 2.190 10 30 AEEERN C=CCCCCCN(C)OC 307918349 572769479 /nfs/dbraw/zinc/76/94/79/572769479.db2.gz DSAOGBJCJHCPPX-UHFFFAOYSA-N 0 0 157.257 2.226 10 30 AEEERN C=CCCOC(=O)/C=C/CC 307920287 572769491 /nfs/dbraw/zinc/76/94/91/572769491.db2.gz JMGCVSCLVMWYCQ-FNORWQNLSA-N 0 0 154.209 2.072 10 30 AEEERN C=C(C)Cc1cc(N)ccc1O 221562865 572769566 /nfs/dbraw/zinc/76/95/66/572769566.db2.gz XKIVZADETALCRJ-UHFFFAOYSA-N 0 0 163.220 2.093 10 30 AEEERN CC(C)[C@@H]1CC[C@H](C)CC1=NN 308126642 572771638 /nfs/dbraw/zinc/77/16/38/572771638.db2.gz VRHGLODXIVTURM-IUCAKERBSA-N 0 0 168.284 2.393 10 30 AEEERN CCC[C@H](O)[C@H](C)C(=O)/C=C\Cl 307918256 572769725 /nfs/dbraw/zinc/76/97/25/572769725.db2.gz TZPRQAQBHNCGNY-WXSHZEGDSA-N 0 0 190.670 2.105 10 30 AEEERN CCSCCON=C1CCC1 307919591 572769956 /nfs/dbraw/zinc/76/99/56/572769956.db2.gz HCJLTHWTNNCBTP-UHFFFAOYSA-N 0 0 173.281 2.296 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C)CC1=NN 308126632 572770201 /nfs/dbraw/zinc/77/02/01/572770201.db2.gz VRHGLODXIVTURM-BDAKNGLRSA-N 0 0 168.284 2.393 10 30 AEEERN C#C[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C 306717607 572770480 /nfs/dbraw/zinc/77/04/80/572770480.db2.gz VJGYSQCWXDLACE-NHCYSSNCSA-N 0 0 180.291 2.443 10 30 AEEERN C=CCC[C@@](C)(O)c1ccc[nH]1 307931025 572771674 /nfs/dbraw/zinc/77/16/74/572771674.db2.gz CEIJSAMSJCUNET-SNVBAGLBSA-N 0 0 165.236 2.188 10 30 AEEERN C=CCC[C@](C)(O)[C@H]1C[C@H]1C 307741359 572771039 /nfs/dbraw/zinc/77/10/39/572771039.db2.gz QSPCZCLCWIVRFK-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN CCOCCCC1(C#N)CC1 307930915 572771070 /nfs/dbraw/zinc/77/10/70/572771070.db2.gz VFEBWSDTANWUAD-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN CC(C)[C@H]1CC[C@H](C)CC1=NN 308126638 572771710 /nfs/dbraw/zinc/77/17/10/572771710.db2.gz VRHGLODXIVTURM-DTWKUNHWSA-N 0 0 168.284 2.393 10 30 AEEERN ON=C1CCCCCCCC[C@@H]1O 308125582 572771219 /nfs/dbraw/zinc/77/12/19/572771219.db2.gz ZOZHMWISTJVLEU-JTQLQIEISA-N 0 0 185.267 2.312 10 30 AEEERN C=C[C@]1(C)C(=O)C=CC[C@H]1C 141535633 572771254 /nfs/dbraw/zinc/77/12/54/572771254.db2.gz VZCJNCOKFQJHEA-SCZZXKLOSA-N 0 0 150.221 2.344 10 30 AEEERN CC/C=C\C(=O)c1ccc[nH]1 307924737 572771349 /nfs/dbraw/zinc/77/13/49/572771349.db2.gz PEJBGJXBFZGZEI-UTCJRWHESA-N 0 0 149.193 2.164 10 30 AEEERN CCC/C=C\C(=O)C[C@H](O)CCC 308126004 572771429 /nfs/dbraw/zinc/77/14/29/572771429.db2.gz AQCVCDVKIPMGHD-BJPMOSCESA-N 0 0 184.279 2.463 10 30 AEEERN C#CCC[C@@H](C)CCCCO 307924996 572771552 /nfs/dbraw/zinc/77/15/52/572771552.db2.gz PHYCZENXVCNBTG-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN C/C=C\[C@H](O)C1(C#N)CCCCC1 308125761 572771554 /nfs/dbraw/zinc/77/15/54/572771554.db2.gz ADZZERZSWVMEAJ-RILPQGNRSA-N 0 0 179.263 2.397 10 30 AEEERN C=C(C)C(=NO)c1ccccc1 307923761 572771941 /nfs/dbraw/zinc/77/19/41/572771941.db2.gz AWVHHGRZSKKNML-UHFFFAOYSA-N 0 0 161.204 2.441 10 30 AEEERN C=CCC[C@](C)(O)c1ccc[nH]1 307931024 572772000 /nfs/dbraw/zinc/77/20/00/572772000.db2.gz CEIJSAMSJCUNET-JTQLQIEISA-N 0 0 165.236 2.188 10 30 AEEERN C=C[C@H](O)CCCC[C@@H](O)/C=C\C 308126344 572772302 /nfs/dbraw/zinc/77/23/02/572772302.db2.gz ASUCCULFALNCNC-BLWKVAPGSA-N 0 0 184.279 2.031 10 30 AEEERN CON=Cc1cccc2[nH]ccc12 308126423 572772307 /nfs/dbraw/zinc/77/23/07/572772307.db2.gz DESWUNAEQKXSQG-UHFFFAOYSA-N 0 0 174.203 2.148 10 30 AEEERN C#CCCSC[C@H]1CCCCO1 307931045 572772565 /nfs/dbraw/zinc/77/25/65/572772565.db2.gz CGRBDRRVHOOPAX-SNVBAGLBSA-N 0 0 184.304 2.312 10 30 AEEERN CCCCNN=CC(C)(C)C 307925014 572772576 /nfs/dbraw/zinc/77/25/76/572772576.db2.gz PJZIFZISPLEVOZ-UHFFFAOYSA-N 0 0 156.273 2.408 10 30 AEEERN CC#CCOc1ccc([S-])cc1 141543635 572772711 /nfs/dbraw/zinc/77/27/11/572772711.db2.gz XHZOTHOAUAQMMH-UHFFFAOYSA-N 0 0 178.256 2.377 10 30 AEEERN CC(C)(C)C(=NO)[C@@H](O)C(C)(C)C 308125680 572772743 /nfs/dbraw/zinc/77/27/43/572772743.db2.gz ACRVSXVAWJCTGN-MRVPVSSYSA-N 0 0 187.283 2.270 10 30 AEEERN CCC/C=C\C(=O)C[C@@H](O)CCC 308126006 572772957 /nfs/dbraw/zinc/77/29/57/572772957.db2.gz AQCVCDVKIPMGHD-ZEBCKKTISA-N 0 0 184.279 2.463 10 30 AEEERN ON=C1CCCCCCCC[C@H]1O 308125583 572773163 /nfs/dbraw/zinc/77/31/63/572773163.db2.gz ZOZHMWISTJVLEU-SNVBAGLBSA-N 0 0 185.267 2.312 10 30 AEEERN C=C[C@H](O)CCCC[C@H](O)/C=C\C 308126351 572773197 /nfs/dbraw/zinc/77/31/97/572773197.db2.gz ASUCCULFALNCNC-XJNBHVAUSA-N 0 0 184.279 2.031 10 30 AEEERN C#CCC[C@H](C)CCCCO 307924995 572773328 /nfs/dbraw/zinc/77/33/28/572773328.db2.gz PHYCZENXVCNBTG-JTQLQIEISA-N 0 0 154.253 2.199 10 30 AEEERN CCC(=NO)c1ccccc1F 307924607 572773378 /nfs/dbraw/zinc/77/33/78/572773378.db2.gz PNZIPKLMUNRMOZ-UHFFFAOYSA-N 0 0 167.183 2.414 10 30 AEEERN Cc1ccc(C[NH+]2CC(S)C2)cc1 141541014 572773435 /nfs/dbraw/zinc/77/34/35/572773435.db2.gz GKLJHENKIRYDAH-UHFFFAOYSA-N 0 0 193.315 2.109 10 30 AEEERN CCC[C@H](C)NC(=O)CCCS 308126756 572773625 /nfs/dbraw/zinc/77/36/25/572773625.db2.gz VTBOTZNJJJOQMR-QMMMGPOBSA-N 0 0 189.324 2.001 10 30 AEEERN CC#CC(O)(CCC)CCC 307705513 572773706 /nfs/dbraw/zinc/77/37/06/572773706.db2.gz VVNCQTHWXSYTCP-UHFFFAOYSA-N 0 0 154.253 2.341 10 30 AEEERN CC(C)/C=C\C(=O)C[C@@H](O)C(C)C 308116612 572773718 /nfs/dbraw/zinc/77/37/18/572773718.db2.gz AQXLCWWREQCTDU-ISALQUGTSA-N 0 0 184.279 2.175 10 30 AEEERN CCO/C=C\C(=O)[C@@H](C)CC 307931841 572773745 /nfs/dbraw/zinc/77/37/45/572773745.db2.gz VPKKHVIHFXXCRD-UAPHAKCISA-N 0 0 156.225 2.152 10 30 AEEERN C=CCCC[C@@H](O)C[C@H](O)CCC 308116613 572773816 /nfs/dbraw/zinc/77/38/16/572773816.db2.gz AREPBPITGJVSMX-GHMZBOCLSA-N 0 0 186.295 2.255 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H]([C@H](C)O)C1 307701078 572773961 /nfs/dbraw/zinc/77/39/61/572773961.db2.gz MRDTUWIOQBDLOL-IVZWLZJFSA-N 0 0 154.253 2.360 10 30 AEEERN C=CCCC[C@@H](O)C[C@@H](O)CCC 308116615 572773970 /nfs/dbraw/zinc/77/39/70/572773970.db2.gz AREPBPITGJVSMX-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN CC(C)/C=C\C(=O)C[C@H](O)C(C)C 308116611 572774184 /nfs/dbraw/zinc/77/41/84/572774184.db2.gz AQXLCWWREQCTDU-GZTOBOFZSA-N 0 0 184.279 2.175 10 30 AEEERN CCC[C@@H](C)NC(=O)CCCS 308126750 572774268 /nfs/dbraw/zinc/77/42/68/572774268.db2.gz VTBOTZNJJJOQMR-MRVPVSSYSA-N 0 0 189.324 2.001 10 30 AEEERN C=CCn1cc(C)c(C(F)(F)F)n1 306789577 572774371 /nfs/dbraw/zinc/77/43/71/572774371.db2.gz PSWQCWKWQAOYBR-UHFFFAOYSA-N 0 0 190.168 2.396 10 30 AEEERN CCOc1ccc(C=NO)cc1F 308116680 572774511 /nfs/dbraw/zinc/77/45/11/572774511.db2.gz AZPKHWVUWMSDIH-UHFFFAOYSA-N 0 0 183.182 2.033 10 30 AEEERN C=CCNc1cccc2c1cnn2C 307709715 572774522 /nfs/dbraw/zinc/77/45/22/572774522.db2.gz NHLDSSUHTDNRTI-UHFFFAOYSA-N 0 0 187.246 2.171 10 30 AEEERN CC(=NN)c1ccc(F)c(Cl)c1 307928068 572774525 /nfs/dbraw/zinc/77/45/25/572774525.db2.gz AEQCMPXIDVIYIZ-UHFFFAOYSA-N 0 0 186.617 2.162 10 30 AEEERN C=C[C@H](C)[C@@H](O)C(C)(C)C 141567412 572774612 /nfs/dbraw/zinc/77/46/12/572774612.db2.gz AGOZZBSBTYEUPQ-JGVFFNPUSA-N 0 0 142.242 2.216 10 30 AEEERN CC(=O)/C=C(\C)Cc1ccco1 307925806 572774811 /nfs/dbraw/zinc/77/48/11/572774811.db2.gz UDROSUGGYRKAQF-SOFGYWHQSA-N 0 0 164.204 2.357 10 30 AEEERN CCCCCC/C=C\C[C@@H](O)CO 308127080 572774879 /nfs/dbraw/zinc/77/48/79/572774879.db2.gz BTJFLZJGIAVMSS-SKVAFPRGSA-N 0 0 186.295 2.256 10 30 AEEERN C=C[C@@H](C)[C@@H](O)C(C)(C)C 141567596 572774904 /nfs/dbraw/zinc/77/49/04/572774904.db2.gz AGOZZBSBTYEUPQ-HTQZYQBOSA-N 0 0 142.242 2.216 10 30 AEEERN C1=CC[C@@H](CN=NC2CC2)CC1 307928022 572775088 /nfs/dbraw/zinc/77/50/88/572775088.db2.gz ACFAPWMGKYNWRO-SECBINFHSA-N 0 0 164.252 2.081 10 30 AEEERN C=C[C@H](C)[C@H](O)C(C)(C)C 141567220 572775141 /nfs/dbraw/zinc/77/51/41/572775141.db2.gz AGOZZBSBTYEUPQ-YUMQZZPRSA-N 0 0 142.242 2.216 10 30 AEEERN C#C[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C 306717608 572775450 /nfs/dbraw/zinc/77/54/50/572775450.db2.gz VJGYSQCWXDLACE-SCVCMEIPSA-N 0 0 180.291 2.443 10 30 AEEERN CCCN=NC[C@H](C)CCC 307928729 572775453 /nfs/dbraw/zinc/77/54/53/572775453.db2.gz UAFRLBMGHJFFJZ-SECBINFHSA-N 0 0 156.273 2.408 10 30 AEEERN CC[C@@H](C#N)C(=O)C1(CC)CC1 308118654 572775709 /nfs/dbraw/zinc/77/57/09/572775709.db2.gz NQVRQPQKFULJOV-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN C=CC[C@](O)(CC)[C@@H]1C[C@H]1C 307741075 572775941 /nfs/dbraw/zinc/77/59/41/572775941.db2.gz PSWSQWSGWHELQU-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](C)[C@@H](CO)[C@H](C)C=C 307926754 572776081 /nfs/dbraw/zinc/77/60/81/572776081.db2.gz RKKKTBFVTOHHLU-MYJAWHEDSA-N 0 0 154.253 2.239 10 30 AEEERN C1=CC[C@H](CN=NC2CC2)CC1 307928024 572776084 /nfs/dbraw/zinc/77/60/84/572776084.db2.gz ACFAPWMGKYNWRO-VIFPVBQESA-N 0 0 164.252 2.081 10 30 AEEERN CC(=O)/C=N\[C@@H](C)c1ccccc1 308117803 572776163 /nfs/dbraw/zinc/77/61/63/572776163.db2.gz XGJNJSGPWKIWPX-UVIKPUKZSA-N 0 0 175.231 2.407 10 30 AEEERN C=C/C=C/C=C\C[C@@H](O)C=C 307927189 572776277 /nfs/dbraw/zinc/77/62/77/572776277.db2.gz SCTHEPZSZLAGGW-AILJGOMRSA-N 0 0 150.221 2.222 10 30 AEEERN CC[C@H](C)CC(=O)C1=COCC1 308118294 572776489 /nfs/dbraw/zinc/77/64/89/572776489.db2.gz NJEMICNJKWSSII-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN CC(=O)/C=C/C=C\c1cccnc1 308118868 572776602 /nfs/dbraw/zinc/77/66/02/572776602.db2.gz YLGPDCQUNYDXQM-JGJYBARTSA-N 0 0 173.215 2.240 10 30 AEEERN CC[C@H]1CCC1=NN(C)CC 307928286 572776742 /nfs/dbraw/zinc/77/67/42/572776742.db2.gz TUQSQDHWAFPPAW-QMMMGPOBSA-N 0 0 154.257 2.114 10 30 AEEERN CC[C@H](C#N)C(=O)C1(CC)CC1 308118653 572777260 /nfs/dbraw/zinc/77/72/60/572777260.db2.gz NQVRQPQKFULJOV-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN C=C(OCC)[C@@H](O)/C=C\CCC 307930700 572777333 /nfs/dbraw/zinc/77/73/33/572777333.db2.gz APFAKRNSCOYLLJ-DMEOUFDRSA-N 0 0 170.252 2.254 10 30 AEEERN CC(C)(C#N)CCCCCCO 307929250 572777981 /nfs/dbraw/zinc/77/79/81/572777981.db2.gz BFFPKPULHNJDIT-UHFFFAOYSA-N 0 0 169.268 2.479 10 30 AEEERN CCO/C(=C\C#CC[C@@H](C)O)CC 308117618 572777993 /nfs/dbraw/zinc/77/79/93/572777993.db2.gz CFTFQGDBUYSPDQ-QLWWJYNRSA-N 0 0 182.263 2.091 10 30 AEEERN C=CCNN=C1CCC12CCC2 307929234 572778234 /nfs/dbraw/zinc/77/82/34/572778234.db2.gz BCYLDRCTCJCHAY-UHFFFAOYSA-N 0 0 164.252 2.082 10 30 AEEERN CC(=O)/C=C\c1ccc(N)cc1C 308118257 572778238 /nfs/dbraw/zinc/77/82/38/572778238.db2.gz XGFPUXPEOMYYPU-ARJAWSKDSA-N 0 0 175.231 2.179 10 30 AEEERN C=C(C)[C@@H](O)c1ncccc1CC 306740339 572778290 /nfs/dbraw/zinc/77/82/90/572778290.db2.gz CAYSUHAIXFBCAI-LLVKDONJSA-N 0 0 177.247 2.254 10 30 AEEERN C[C@H]([C@@H](O)CCC=O)C(C)(C)C 307929971 572778347 /nfs/dbraw/zinc/77/83/47/572778347.db2.gz BNFGIWVYNXSUGU-BDAKNGLRSA-N 0 0 172.268 2.009 10 30 AEEERN CCCCCN=NC1CCC1 307930788 572778484 /nfs/dbraw/zinc/77/84/84/572778484.db2.gz VALWRBDSBSULFR-UHFFFAOYSA-N 0 0 154.257 2.306 10 30 AEEERN C=C(C)CON=Cc1ccco1 307929931 572778506 /nfs/dbraw/zinc/77/85/06/572778506.db2.gz BLDOYYUMRBFQKZ-UHFFFAOYSA-N 0 0 165.192 2.206 10 30 AEEERN C=C[C@]1(C)CC[C@H]([C@H](C)[C@H](C)O)O1 307727971 572778605 /nfs/dbraw/zinc/77/86/05/572778605.db2.gz DTMNLTMKMOJMPJ-LMLFDSFASA-N 0 0 184.279 2.127 10 30 AEEERN C=C[C@H](O)[C@@H](C=C)OC(C)(C)CC 308117597 572778661 /nfs/dbraw/zinc/77/86/61/572778661.db2.gz BZJABNDQVDRGIS-VHSXEESVSA-N 0 0 184.279 2.293 10 30 AEEERN C[C@H]([C@H](O)CCC=O)C(C)(C)C 307929974 572778753 /nfs/dbraw/zinc/77/87/53/572778753.db2.gz BNFGIWVYNXSUGU-RKDXNWHRSA-N 0 0 172.268 2.009 10 30 AEEERN CC[C@H](C#N)NCC=C(Cl)Cl 407113438 572778777 /nfs/dbraw/zinc/77/87/77/572778777.db2.gz FXWKUYLHIRQDMN-ZCFIWIBFSA-N 0 0 193.077 2.197 10 30 AEEERN C[C@@H]([C@H](O)CCC=O)C(C)(C)C 307929972 572778926 /nfs/dbraw/zinc/77/89/26/572778926.db2.gz BNFGIWVYNXSUGU-DTWKUNHWSA-N 0 0 172.268 2.009 10 30 AEEERN CC(C)C/C=N\[C@H](CO)C(C)C 307929376 572778940 /nfs/dbraw/zinc/77/89/40/572778940.db2.gz ACFYLLGPCPBPFO-CHPNCVJKSA-N 0 0 171.284 2.120 10 30 AEEERN C=C[C@H]1C(C)(C)[C@H](O)CC[C@]1(C)OC 306720357 572778962 /nfs/dbraw/zinc/77/89/62/572778962.db2.gz ZLBSONTXLKHDJP-UMNHJUIQSA-N 0 0 198.306 2.375 10 30 AEEERN C=C/C=C\CC[C@H](O)C(=O)/C=C/C 308120281 572779201 /nfs/dbraw/zinc/77/92/01/572779201.db2.gz FZYGBUUOWSGRMY-UTGWMEGESA-N 0 0 180.247 2.015 10 30 AEEERN C/C=N\[C@@H](C)[C@H](O)c1ccccc1 308119793 572779403 /nfs/dbraw/zinc/77/94/03/572779403.db2.gz DSXOJWKKMUTWPR-USOZHGQYSA-N 0 0 177.247 2.199 10 30 AEEERN C=C/C=C/CC[C@H](O)C(=O)/C=C\C 308120280 572779721 /nfs/dbraw/zinc/77/97/21/572779721.db2.gz FZYGBUUOWSGRMY-SMSXYYCJSA-N 0 0 180.247 2.015 10 30 AEEERN Fc1ccc(C#CCl)cc1 141514297 572779580 /nfs/dbraw/zinc/77/95/80/572779580.db2.gz XSGMOMSSRVOYIH-UHFFFAOYSA-N 0 0 154.571 2.374 10 30 AEEERN C=CCN(CCC(C)C)OC 307929644 572779588 /nfs/dbraw/zinc/77/95/88/572779588.db2.gz UOIQERASXVLQHT-UHFFFAOYSA-N 0 0 157.257 2.082 10 30 AEEERN C=CCCC(=O)OC1CCCC1 307929910 572779869 /nfs/dbraw/zinc/77/98/69/572779869.db2.gz BKACUMULRVIYRC-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN CCCNN=C[C@@H](C)CCC 307928730 572779895 /nfs/dbraw/zinc/77/98/95/572779895.db2.gz UAFRLBMGHJFFJZ-VIFPVBQESA-N 0 0 156.273 2.408 10 30 AEEERN C=CCCN(C)C(=O)OC(C)C 307930267 572780047 /nfs/dbraw/zinc/78/00/47/572780047.db2.gz BRUMCXZDLQWACV-UHFFFAOYSA-N 0 0 171.240 2.039 10 30 AEEERN CC(C)[C@H](O)C=Nc1ccccc1 308120004 572780060 /nfs/dbraw/zinc/78/00/60/572780060.db2.gz FBGSNIXWEYBMBW-LLVKDONJSA-N 0 0 177.247 2.406 10 30 AEEERN Cc1cccc(O)c1CCCC=O 238535181 572782003 /nfs/dbraw/zinc/78/20/03/572782003.db2.gz QBGWBRABDFAMNV-UHFFFAOYSA-N 0 0 178.231 2.222 10 30 AEEERN C/C=C(/CC)C(=O)C1=COCC1 308119121 572780156 /nfs/dbraw/zinc/78/01/56/572780156.db2.gz OAFYYFNNSAEIJS-BAQGIRSFSA-N 0 0 166.220 2.216 10 30 AEEERN CC(C)[C@@H](O)C=Nc1ccccc1 308120005 572780447 /nfs/dbraw/zinc/78/04/47/572780447.db2.gz FBGSNIXWEYBMBW-NSHDSACASA-N 0 0 177.247 2.406 10 30 AEEERN CC(C)CCC(=O)C1=COCC1 308120210 572780536 /nfs/dbraw/zinc/78/05/36/572780536.db2.gz OTQXMUGFFLVNHH-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN O=C(CCCO)C1=CCCCCC1 236481190 572780564 /nfs/dbraw/zinc/78/05/64/572780564.db2.gz HRNBEPAPDCJZMY-UHFFFAOYSA-N 0 0 182.263 2.219 10 30 AEEERN C#C[C@H](C(C)C)[C@H](O)CCCC 308120170 572780753 /nfs/dbraw/zinc/78/07/53/572780753.db2.gz OQQOYCPCFACIMR-GHMZBOCLSA-N 0 0 168.280 2.443 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](O)[C@@H](F)C1 306880463 572780996 /nfs/dbraw/zinc/78/09/96/572780996.db2.gz KTFBJHZJYHVMOS-VGMNWLOBSA-N 0 0 158.216 2.062 10 30 AEEERN CCCCCC(C)=NNC 256071623 572781025 /nfs/dbraw/zinc/78/10/25/572781025.db2.gz DFODLCMFLJFZAT-UHFFFAOYSA-N 0 0 142.246 2.162 10 30 AEEERN C=CCCOC1CCC(CO)CC1 236483794 572781078 /nfs/dbraw/zinc/78/10/78/572781078.db2.gz UGMOWGRGXBVGBV-UHFFFAOYSA-N 0 0 184.279 2.130 10 30 AEEERN C#CCCCC(=O)C1(O)CCCCC1 236485082 572781113 /nfs/dbraw/zinc/78/11/13/572781113.db2.gz SIXQKVKSCJLBLW-UHFFFAOYSA-N 0 0 194.274 2.054 10 30 AEEERN CC(=O)[C@](C)(C#N)CCCCF 308120159 572781129 /nfs/dbraw/zinc/78/11/29/572781129.db2.gz OPQQFVPISBKKDP-VIFPVBQESA-N 0 0 171.215 2.245 10 30 AEEERN CC(=O)[C@](C)(C#N)C[C@@H]1CC[C@H](C)O1 299998928 572781131 /nfs/dbraw/zinc/78/11/31/572781131.db2.gz XDHVVKRKOZRFKF-LSJOCFKGSA-N 0 0 195.262 2.063 10 30 AEEERN C=CCCCCCC(=O)CCCO 236481438 572781149 /nfs/dbraw/zinc/78/11/49/572781149.db2.gz XQYFQUMHPHUJNQ-UHFFFAOYSA-N 0 0 184.279 2.465 10 30 AEEERN C#C[C@@H](C(C)C)[C@H](O)CCCC 308120173 572781208 /nfs/dbraw/zinc/78/12/08/572781208.db2.gz OQQOYCPCFACIMR-WDEREUQCSA-N 0 0 168.280 2.443 10 30 AEEERN CC(=O)[C@@](C)(C#N)CCCCF 308120158 572781321 /nfs/dbraw/zinc/78/13/21/572781321.db2.gz OPQQFVPISBKKDP-SECBINFHSA-N 0 0 171.215 2.245 10 30 AEEERN C=C/C=C\CC[C@H](O)C(=O)/C=C\C 308120282 572781429 /nfs/dbraw/zinc/78/14/29/572781429.db2.gz FZYGBUUOWSGRMY-WUIIBKGXSA-N 0 0 180.247 2.015 10 30 AEEERN Cc1ccc2occ(CC#N)c(=O)c2c1 238539807 572781473 /nfs/dbraw/zinc/78/14/73/572781473.db2.gz RIQNUWRIYDEIPW-UHFFFAOYSA-N 0 0 199.209 2.168 10 30 AEEERN C=CC(=O)CCc1c(C)cccc1O 238535145 572781626 /nfs/dbraw/zinc/78/16/26/572781626.db2.gz SPVSAOKTHIUZKS-UHFFFAOYSA-N 0 0 190.242 2.388 10 30 AEEERN C=CC[C@@]12C(=O)CC[C@@H]1CCC[C@H]2O 306818308 572781644 /nfs/dbraw/zinc/78/16/44/572781644.db2.gz JUZKHPKKUCTYRO-HOSYDEDBSA-N 0 0 194.274 2.073 10 30 AEEERN CC(=O)[C@](C)(C#N)C[C@H]1CC[C@H](C)O1 299998927 572781682 /nfs/dbraw/zinc/78/16/82/572781682.db2.gz XDHVVKRKOZRFKF-GDPRMGEGSA-N 0 0 195.262 2.063 10 30 AEEERN C#C[C@H](C(C)C)[C@@H](O)CCCC 308120171 572781693 /nfs/dbraw/zinc/78/16/93/572781693.db2.gz OQQOYCPCFACIMR-MNOVXSKESA-N 0 0 168.280 2.443 10 30 AEEERN C1CCC(N=NCC2CC2)CC1 308120235 572781832 /nfs/dbraw/zinc/78/18/32/572781832.db2.gz OVQMFHZZTPNSHN-UHFFFAOYSA-N 0 0 166.268 2.305 10 30 AEEERN CC#C[C@@H](O)c1ccc(OCC)cc1 306816576 572781847 /nfs/dbraw/zinc/78/18/47/572781847.db2.gz CFLYNRMPVYFDTE-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN Cc1ccc2cc([C@@H](N)CC#N)[nH]c2c1 238526806 572781886 /nfs/dbraw/zinc/78/18/86/572781886.db2.gz JPYFXPOWYIAKCU-JTQLQIEISA-N 0 0 199.257 2.390 10 30 AEEERN C#C[C@H](C)OC(=O)C1(C)CCCC1 307728762 572781938 /nfs/dbraw/zinc/78/19/38/572781938.db2.gz FLSNJRCTNXEFHK-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C#CC[C@H](O)c1cc2ccccc2n1C 238539778 572781985 /nfs/dbraw/zinc/78/19/85/572781985.db2.gz ONWCFZRVVGQRNN-ZDUSSCGKSA-N 0 0 199.253 2.235 10 30 AEEERN C[C@H](O)C#C[C@@]1(C)[C@H]2CC[C@H](C2)[C@@H]1C 306812384 572782010 /nfs/dbraw/zinc/78/20/10/572782010.db2.gz ZCBRBGACDGNQAP-IEECTRCBSA-N 0 0 192.302 2.443 10 30 AEEERN C=C(C)[C@H](CO)OCc1ccccc1 307745321 572782061 /nfs/dbraw/zinc/78/20/61/572782061.db2.gz RIVWBSZCEPNSJL-LBPRGKRZSA-N 0 0 192.258 2.140 10 30 AEEERN Cc1ccn(Cc2ccc(C#N)cc2)n1 83787151 572782036 /nfs/dbraw/zinc/78/20/36/572782036.db2.gz KWUJFWUAKGEQQG-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN C=C1[C@H](C[C@H](C)O)[C@]1(C)CC 306770662 572782244 /nfs/dbraw/zinc/78/22/44/572782244.db2.gz BVSZWSCEARSHIY-UJNFCWOMSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC[C@@H](O)[C@@]1(C)CCCCC1=O 306808345 572782271 /nfs/dbraw/zinc/78/22/71/572782271.db2.gz OTNXHPQAQXDKGU-MWLCHTKSSA-N 0 0 182.263 2.073 10 30 AEEERN C=C(C)[C@H]1CC(=O)C=C1C 141529587 572782292 /nfs/dbraw/zinc/78/22/92/572782292.db2.gz LDZMXDKAZZYCKN-SECBINFHSA-N 0 0 136.194 2.098 10 30 AEEERN C#C[C@](C)(CC)Nc1ncccc1F 306815266 572782321 /nfs/dbraw/zinc/78/23/21/572782321.db2.gz DELOASGRBPDJII-LLVKDONJSA-N 0 0 192.237 2.435 10 30 AEEERN O=CCC[C@@H](O)CC1CCCCC1 308129448 572782428 /nfs/dbraw/zinc/78/24/28/572782428.db2.gz BGQLAKZJMXDHCL-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN CO/C=C\C#CC1CCCC1 714549731 572782535 /nfs/dbraw/zinc/78/25/35/572782535.db2.gz IPOHCHQEZYFCSZ-UITAMQMPSA-N 0 0 150.221 2.340 10 30 AEEERN C=C(C)C[C@@H]1[C@@H](O)[C@H]2CC[C@@H]1C2 306809099 572782549 /nfs/dbraw/zinc/78/25/49/572782549.db2.gz RABVGWCHICBYHM-RCWTZXSCSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)C[C@H](O)[C@]1(C)C[C@@H]1F 306863666 572782892 /nfs/dbraw/zinc/78/28/92/572782892.db2.gz IWYOVMFBCCCCNK-XHNCKOQMSA-N 0 0 158.216 2.062 10 30 AEEERN Cc1ccc2cc([C@H](N)CC#N)[nH]c2c1 238526897 572782969 /nfs/dbraw/zinc/78/29/69/572782969.db2.gz JPYFXPOWYIAKCU-SNVBAGLBSA-N 0 0 199.257 2.390 10 30 AEEERN CC#CCC[N@@H+]1CCCC[C@H](F)C1 307724870 572782989 /nfs/dbraw/zinc/78/29/89/572782989.db2.gz ZUFINMDOIYFZHU-NSHDSACASA-N 0 0 183.270 2.224 10 30 AEEERN C=CCOc1cccc(C)c1C=O 238538911 572783002 /nfs/dbraw/zinc/78/30/02/572783002.db2.gz PGQOOLPJLLCDBV-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C(=Nc1ccncc1)Nc1cccnc1 238539491 572783091 /nfs/dbraw/zinc/78/30/91/572783091.db2.gz MRJOLLVTYIQCCR-UHFFFAOYSA-N 0 0 198.229 2.249 10 30 AEEERN CCCCCC[C@H](O)[C@@]1(C)O[C@H]1C 308120503 572783126 /nfs/dbraw/zinc/78/31/26/572783126.db2.gz GYILKQGSQZAWMM-DCAQKATOSA-N 0 0 186.295 2.495 10 30 AEEERN C#CCCCC1=CCC(=O)CC1 306880034 572783216 /nfs/dbraw/zinc/78/32/16/572783216.db2.gz FNAADTPEEHQGOG-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN C=CC1C[C@H]2CC(O)C[C@@H](C1)C2 306877986 572783411 /nfs/dbraw/zinc/78/34/11/572783411.db2.gz IHYBTTKIYYFZGT-GGWWSXTCSA-N 0 0 166.264 2.360 10 30 AEEERN C#CC[C@@H](O)c1cc2ccccc2n1C 238539975 572783454 /nfs/dbraw/zinc/78/34/54/572783454.db2.gz ONWCFZRVVGQRNN-CYBMUJFWSA-N 0 0 199.253 2.235 10 30 AEEERN CCCCCC[C@H](O)[C@]1(C)O[C@H]1C 308120504 572783604 /nfs/dbraw/zinc/78/36/04/572783604.db2.gz GYILKQGSQZAWMM-GARJFASQSA-N 0 0 186.295 2.495 10 30 AEEERN C=C(C)[C@@H]1CC(=O)C=C1C 141529767 572783631 /nfs/dbraw/zinc/78/36/31/572783631.db2.gz LDZMXDKAZZYCKN-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN C(=Nc1ccccn1)Nc1cccnc1 238539463 572783648 /nfs/dbraw/zinc/78/36/48/572783648.db2.gz LPDJRDRUZZYQBS-UHFFFAOYSA-N 0 0 198.229 2.249 10 30 AEEERN CC[C@@H](C#Cc1ccccc1)CCO 306867918 572783699 /nfs/dbraw/zinc/78/36/99/572783699.db2.gz QCHSAPSRXMBFNZ-LBPRGKRZSA-N 0 0 188.270 2.447 10 30 AEEERN C#CCSCc1nc(C)cs1 307717787 572783790 /nfs/dbraw/zinc/78/37/90/572783790.db2.gz KFEKJQFOMUGPRQ-UHFFFAOYSA-N 0 0 183.301 2.318 10 30 AEEERN C=C[C@](C)(O)C1CCCC1 306835483 572783799 /nfs/dbraw/zinc/78/37/99/572783799.db2.gz SOZBDWTVVGNONW-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN Cc1ccc(C#CC#CCCCO)cc1 238540584 572783889 /nfs/dbraw/zinc/78/38/89/572783889.db2.gz IZVFCPFFNZSKOM-UHFFFAOYSA-N 0 0 198.265 2.122 10 30 AEEERN C=C[C@@H]1[C@H](CC)[C@@H]2CC[C@H]1[C@@H]2O 306809243 572783896 /nfs/dbraw/zinc/78/38/96/572783896.db2.gz RIDOQJHGWTYSMD-XXFSISAASA-N 0 0 166.264 2.216 10 30 AEEERN C=CCCC1(O)CC(C)C1 306813969 572783903 /nfs/dbraw/zinc/78/39/03/572783903.db2.gz CQQVDTAGINWLEO-UHFFFAOYSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)[C@H]1C[C@@H](O)[C@H](C)[C@H]1C 306883214 572784285 /nfs/dbraw/zinc/78/42/85/572784285.db2.gz OPAFQWIOXVPFTL-ZYUZMQFOSA-N 0 0 154.253 2.216 10 30 AEEERN CCCCCC(=O)C1=COCC1 308120651 572784358 /nfs/dbraw/zinc/78/43/58/572784358.db2.gz PLHSVFRBGQCZFQ-UHFFFAOYSA-N 0 0 168.236 2.440 10 30 AEEERN C#C/C=C/C=C\Br 307765260 572784387 /nfs/dbraw/zinc/78/43/87/572784387.db2.gz PPHIQQFTTHFCAJ-ICWBMWKASA-N 0 0 157.010 2.084 10 30 AEEERN C=C(C)CSC(=S)OC 307757310 572784428 /nfs/dbraw/zinc/78/44/28/572784428.db2.gz KTBHQOLOCZGFHE-UHFFFAOYSA-N 0 0 162.279 2.227 10 30 AEEERN C=C[C@@H](C)N1CCc2ncsc2C1 307711951 572784523 /nfs/dbraw/zinc/78/45/23/572784523.db2.gz VRKSHGVZUQRHCB-MRVPVSSYSA-N 0 0 194.303 2.076 10 30 AEEERN C=C1C[C@@]1(OC)[C@@H](O)C1CCCCC1 307749687 572784651 /nfs/dbraw/zinc/78/46/51/572784651.db2.gz HOTVVOBOPZFRMG-RYUDHWBXSA-N 0 0 196.290 2.273 10 30 AEEERN C=CCCCC(=O)C1(O)CCCC1 236485947 572784804 /nfs/dbraw/zinc/78/48/04/572784804.db2.gz WILZVHKFPCYMEN-UHFFFAOYSA-N 0 0 182.263 2.217 10 30 AEEERN CC(C)OCCCCC#N 49579532 572784836 /nfs/dbraw/zinc/78/48/36/572784836.db2.gz XWNPQNVCKWLTJL-UHFFFAOYSA-N 0 0 141.214 2.105 10 30 AEEERN C=CCCCc1ccc([N+](=O)[O-])n1C 238531250 572785008 /nfs/dbraw/zinc/78/50/08/572785008.db2.gz CWNGRWQWRPNMOH-UHFFFAOYSA-N 0 0 194.234 2.442 10 30 AEEERN N#CCOc1ccc(OC2CC2)cc1 238547840 572785206 /nfs/dbraw/zinc/78/52/06/572785206.db2.gz PVBQSYADPVROGM-UHFFFAOYSA-N 0 0 189.214 2.130 10 30 AEEERN C=C(C)CONCc1ccccc1 306877533 572785227 /nfs/dbraw/zinc/78/52/27/572785227.db2.gz CJCUDVBYJJCMIY-UHFFFAOYSA-N 0 0 177.247 2.284 10 30 AEEERN C=CCCCCC[C@H](O)CCCO 236489335 572785390 /nfs/dbraw/zinc/78/53/90/572785390.db2.gz MOFVKDDFNNYYOK-NSHDSACASA-N 0 0 186.295 2.256 10 30 AEEERN C=C(C)[C@@H]1C[C@H](O)C(C)(C)[C@](C)(O)C1 307727566 572785440 /nfs/dbraw/zinc/78/54/40/572785440.db2.gz DIBMXBWONRDTEP-JFGNBEQYSA-N 0 0 198.306 2.111 10 30 AEEERN C=CC(C)(C)CNc1ncns1 306848457 572785580 /nfs/dbraw/zinc/78/55/80/572785580.db2.gz MQSRBYJCDAATLU-UHFFFAOYSA-N 0 0 183.280 2.162 10 30 AEEERN C#C[C@H](O)/C=C(/C)c1ccccc1 141601452 572785618 /nfs/dbraw/zinc/78/56/18/572785618.db2.gz CLZXCHCYWCHDIA-PRDAAYKISA-N 0 0 172.227 2.084 10 30 AEEERN CC#C[C@](C)(O)c1sccc1C 306820707 572785632 /nfs/dbraw/zinc/78/56/32/572785632.db2.gz DSYXOWNCXAHZLM-JTQLQIEISA-N 0 0 180.272 2.287 10 30 AEEERN C=C(C)[C@H](SC)[C@@H](O)CC 196542715 572785639 /nfs/dbraw/zinc/78/56/39/572785639.db2.gz NEVJTZWKAQYIEX-YUMQZZPRSA-N 0 0 160.282 2.065 10 30 AEEERN N#CCOc1cccc(OC2CC2)c1 238548041 572785658 /nfs/dbraw/zinc/78/56/58/572785658.db2.gz YBPWKKGJEUJGER-UHFFFAOYSA-N 0 0 189.214 2.130 10 30 AEEERN C=C(C)[C@@H](O)CSC(C)C 306828164 572785676 /nfs/dbraw/zinc/78/56/76/572785676.db2.gz IEEKXOSWOSBLLS-QMMMGPOBSA-N 0 0 160.282 2.065 10 30 AEEERN O=C1C2=C(CCC=CC2)[C@H]2C=C[C@H]12 196554637 572785698 /nfs/dbraw/zinc/78/56/98/572785698.db2.gz MIYBFKVJIVXTNE-KOLCDFICSA-N 0 0 172.227 2.408 10 30 AEEERN C#CC[C@H](C)OC(=O)CCCC=C 308129865 572785739 /nfs/dbraw/zinc/78/57/39/572785739.db2.gz AHAKJCVGXOTOQC-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN CC(C)CC1=COC(C)(C)C1=O 196542360 572785795 /nfs/dbraw/zinc/78/57/95/572785795.db2.gz DLHQAHIMNIZWDZ-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C#CC[C@@H](C)OC(=O)CCCC=C 308129867 572785869 /nfs/dbraw/zinc/78/58/69/572785869.db2.gz AHAKJCVGXOTOQC-SNVBAGLBSA-N 0 0 180.247 2.298 10 30 AEEERN CCCCCC1=COCC1=O 196542047 572785873 /nfs/dbraw/zinc/78/58/73/572785873.db2.gz KISTVVNTFLYEKS-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN C=CC[C@@H](CO)CCC#CCC 307932327 572785914 /nfs/dbraw/zinc/78/59/14/572785914.db2.gz DAAVYYOKMPIENR-LLVKDONJSA-N 0 0 166.264 2.365 10 30 AEEERN C#CC[C@H](O)c1cn(C)c2ccccc12 238547694 572786028 /nfs/dbraw/zinc/78/60/28/572786028.db2.gz DNUXBDHCOQNRDR-ZDUSSCGKSA-N 0 0 199.253 2.235 10 30 AEEERN CC(C)=CCC1(C=O)CC1 196553370 572786062 /nfs/dbraw/zinc/78/60/62/572786062.db2.gz BFMHAVMUFYIYCO-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C/C#C[Si](C)(C)C 196543449 572786158 /nfs/dbraw/zinc/78/61/58/572786158.db2.gz PKZSPYVAPBAROM-FNORWQNLSA-N 0 0 166.296 2.012 10 30 AEEERN O=C1C2=C(CCC=CC2)[C@H]2C=C[C@@H]12 196554647 572786200 /nfs/dbraw/zinc/78/62/00/572786200.db2.gz MIYBFKVJIVXTNE-MWLCHTKSSA-N 0 0 172.227 2.408 10 30 AEEERN O=C1C2=C(CCC=CC2)[C@@H]2C=C[C@H]12 196554660 572786232 /nfs/dbraw/zinc/78/62/32/572786232.db2.gz MIYBFKVJIVXTNE-ONGXEEELSA-N 0 0 172.227 2.408 10 30 AEEERN O=C1C2=C(CCC=CC2)[C@@H]2C=C[C@@H]12 196554670 572786235 /nfs/dbraw/zinc/78/62/35/572786235.db2.gz MIYBFKVJIVXTNE-GXSJLCMTSA-N 0 0 172.227 2.408 10 30 AEEERN C=C(C)[C@@H](SC)[C@H](O)CC 196542707 572786250 /nfs/dbraw/zinc/78/62/50/572786250.db2.gz NEVJTZWKAQYIEX-HTQZYQBOSA-N 0 0 160.282 2.065 10 30 AEEERN N#CCOc1ccccc1OC1CC1 238547581 572786428 /nfs/dbraw/zinc/78/64/28/572786428.db2.gz NWAUBVRYBFERRH-UHFFFAOYSA-N 0 0 189.214 2.130 10 30 AEEERN C#CCCOC(=O)[C@@H](C)C(C)(C)C 308130905 572786320 /nfs/dbraw/zinc/78/63/20/572786320.db2.gz ASYSKPCNUQXVKH-SECBINFHSA-N 0 0 182.263 2.235 10 30 AEEERN c1cc2c(cc1[C@@H]1CO1)CCC2 41167569 572786331 /nfs/dbraw/zinc/78/63/31/572786331.db2.gz WENHVAQVKYHFHW-NSHDSACASA-N 0 0 160.216 2.247 10 30 AEEERN C[C@H]1OC=C(c2ccccc2)C1=O 196542097 572786332 /nfs/dbraw/zinc/78/63/32/572786332.db2.gz CFTZLRPWNCBAFW-MRVPVSSYSA-N 0 0 174.199 2.015 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1C[C@@H]1C(C)C 308131387 572786408 /nfs/dbraw/zinc/78/64/08/572786408.db2.gz BDQJDJKNPNZHKZ-AEJSXWLSSA-N 0 0 182.263 2.396 10 30 AEEERN C=CCNC(=O)[C@@H](C)C1=CCCC1 308131371 572786436 /nfs/dbraw/zinc/78/64/36/572786436.db2.gz BCVWUVVOWLEAAS-VIFPVBQESA-N 0 0 179.263 2.035 10 30 AEEERN C=C(C)[C@@H](SC)[C@@H](O)CC 196542701 572786451 /nfs/dbraw/zinc/78/64/51/572786451.db2.gz NEVJTZWKAQYIEX-JGVFFNPUSA-N 0 0 160.282 2.065 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(C)C 308131389 572786550 /nfs/dbraw/zinc/78/65/50/572786550.db2.gz BDQJDJKNPNZHKZ-IVZWLZJFSA-N 0 0 182.263 2.396 10 30 AEEERN CC#CCON=Cc1cccs1 307932239 572786552 /nfs/dbraw/zinc/78/65/52/572786552.db2.gz AFXLCDJWJYRUMP-UHFFFAOYSA-N 0 0 179.244 2.122 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC[C@@H]1C 308130972 572786579 /nfs/dbraw/zinc/78/65/79/572786579.db2.gz AWOLAYLIAPVGFJ-IUCAKERBSA-N 0 0 179.267 2.054 10 30 AEEERN C[C@@H]1OC=C(c2ccccc2)C1=O 196542109 572786604 /nfs/dbraw/zinc/78/66/04/572786604.db2.gz CFTZLRPWNCBAFW-QMMMGPOBSA-N 0 0 174.199 2.015 10 30 AEEERN CCC[C@@H](C#N)C(=O)C1(C)CC1 308131051 572787960 /nfs/dbraw/zinc/78/79/60/572787960.db2.gz XMDUQGOJSCNUOI-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN C#CCNc1nc2c(F)cccc2o1 306833239 572786638 /nfs/dbraw/zinc/78/66/38/572786638.db2.gz PQNZPWDPLNHBAQ-UHFFFAOYSA-N 0 0 190.177 2.012 10 30 AEEERN Cc1noc(C)c1N=[N+]=[N-] 196551935 572786697 /nfs/dbraw/zinc/78/66/97/572786697.db2.gz QHNLHLAROXFNJQ-UHFFFAOYSA-N 0 0 138.130 2.233 10 30 AEEERN C=C(C)[C@H](SC)[C@H](O)CC 196542722 572786757 /nfs/dbraw/zinc/78/67/57/572786757.db2.gz NEVJTZWKAQYIEX-SFYZADRCSA-N 0 0 160.282 2.065 10 30 AEEERN C=CCNC(=O)[C@H](C)C1=CCCC1 308131370 572787010 /nfs/dbraw/zinc/78/70/10/572787010.db2.gz BCVWUVVOWLEAAS-SECBINFHSA-N 0 0 179.263 2.035 10 30 AEEERN C=C1C[C@@]12CCCCC[C@H]2O 307715443 572787029 /nfs/dbraw/zinc/78/70/29/572787029.db2.gz GBGSBNMTIAHZIH-ZJUUUORDSA-N 0 0 152.237 2.258 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1C[C@H]1C(C)C 308131388 572787075 /nfs/dbraw/zinc/78/70/75/572787075.db2.gz BDQJDJKNPNZHKZ-GUBZILKMSA-N 0 0 182.263 2.396 10 30 AEEERN C#CCCOC(=O)[C@H](C)C(C)(C)C 308130906 572787209 /nfs/dbraw/zinc/78/72/09/572787209.db2.gz ASYSKPCNUQXVKH-VIFPVBQESA-N 0 0 182.263 2.235 10 30 AEEERN CCC[C@H](C#N)C(=O)C1(C)CC1 308131050 572787223 /nfs/dbraw/zinc/78/72/23/572787223.db2.gz XMDUQGOJSCNUOI-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN c1cc2c(cc1[C@H]1CO1)CCC2 41167570 572787265 /nfs/dbraw/zinc/78/72/65/572787265.db2.gz WENHVAQVKYHFHW-LLVKDONJSA-N 0 0 160.216 2.247 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC[C@H]1C 308130970 572787336 /nfs/dbraw/zinc/78/73/36/572787336.db2.gz AWOLAYLIAPVGFJ-BDAKNGLRSA-N 0 0 179.267 2.054 10 30 AEEERN C=CCCCCC[C@@H](O)CCCO 236495380 572787350 /nfs/dbraw/zinc/78/73/50/572787350.db2.gz MOFVKDDFNNYYOK-LLVKDONJSA-N 0 0 186.295 2.256 10 30 AEEERN C=CCC[C@]1(O)CC[C@@H]2C[C@@H]21 306814346 572787470 /nfs/dbraw/zinc/78/74/70/572787470.db2.gz BQBOZDSVPDUVJV-UTLUCORTSA-N 0 0 152.237 2.114 10 30 AEEERN C=C[C@H]1[C@@H](CC)[C@H]2C[C@@H]1[C@H](CO)C2 307715039 572787594 /nfs/dbraw/zinc/78/75/94/572787594.db2.gz FHQBCZGIVGQIHN-WTPMCQDGSA-N 0 0 180.291 2.463 10 30 AEEERN C#CCCC(=O)C(C)(C)SC 307714618 572787608 /nfs/dbraw/zinc/78/76/08/572787608.db2.gz FODMRSVPJWWPJU-UHFFFAOYSA-N 0 0 170.277 2.111 10 30 AEEERN C=CCC[C@H](CC(N)=O)c1ccco1 238551763 572788019 /nfs/dbraw/zinc/78/80/19/572788019.db2.gz PLZCFCUOHJIEKN-SECBINFHSA-N 0 0 193.246 2.205 10 30 AEEERN C[C@H](CC#N)NN=C1CCC[C@H]1C 308130973 572787901 /nfs/dbraw/zinc/78/79/01/572787901.db2.gz AWOLAYLIAPVGFJ-RKDXNWHRSA-N 0 0 179.267 2.054 10 30 AEEERN C=C[C@H](C)[C@@H](C)[C@H](O)C(C)C 307737466 572788339 /nfs/dbraw/zinc/78/83/39/572788339.db2.gz FGKVHSMAHRQHGY-IVZWLZJFSA-N 0 0 156.269 2.462 10 30 AEEERN C=C[C@H](CO)Oc1cc(C)cc(C)c1 238549859 572788432 /nfs/dbraw/zinc/78/84/32/572788432.db2.gz XTBNVWKJOGUECU-LLVKDONJSA-N 0 0 192.258 2.229 10 30 AEEERN N#CCc1ncccc1-c1ccncc1 238551471 572788503 /nfs/dbraw/zinc/78/85/03/572788503.db2.gz JUOJWUSTXHDATR-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C[C@H]1CCCC1=NN[C@H](C)CC#N 308130971 572788588 /nfs/dbraw/zinc/78/85/88/572788588.db2.gz AWOLAYLIAPVGFJ-DTWKUNHWSA-N 0 0 179.267 2.054 10 30 AEEERN N#CCc1ccc(-c2cccnc2)cn1 238552476 572788598 /nfs/dbraw/zinc/78/85/98/572788598.db2.gz NQYRBWNOPFWJJK-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C=C(Cl)C(C)(C)c1nc(C)no1 307743869 572788622 /nfs/dbraw/zinc/78/86/22/572788622.db2.gz NGYNBVZEEPOUSB-UHFFFAOYSA-N 0 0 186.642 2.408 10 30 AEEERN N#CCc1cc(-c2ccccc2)ncn1 238551978 572789674 /nfs/dbraw/zinc/78/96/74/572789674.db2.gz GCKFNILNNRNOTR-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C[C@H]1[C@@H]2CC[C@@H](C2)[C@]1(C)C#C[C@@H](C)O 306812385 572788646 /nfs/dbraw/zinc/78/86/46/572788646.db2.gz ZCBRBGACDGNQAP-RXGFPQBGSA-N 0 0 192.302 2.443 10 30 AEEERN CC#C[C@@](C)(O)C1CCCCC1 306841029 572788651 /nfs/dbraw/zinc/78/86/51/572788651.db2.gz FEVJWKXSKLHSNC-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C#Cc1cc(Br)cnc1C 141638893 572788675 /nfs/dbraw/zinc/78/86/75/572788675.db2.gz WIPZRUWFGPZSEW-UHFFFAOYSA-N 0 0 196.047 2.134 10 30 AEEERN N#CCC1=CCc2ccc3c(c21)CCO3 238543442 572788693 /nfs/dbraw/zinc/78/86/93/572788693.db2.gz LEQOTMPBTSBEQS-UHFFFAOYSA-N 0 0 197.237 2.475 10 30 AEEERN C=CCC1(C)C=CC(O)C=C1 307724173 572788920 /nfs/dbraw/zinc/78/89/20/572788920.db2.gz XJJHUBXWUVFSPR-UHFFFAOYSA-N 0 0 150.221 2.056 10 30 AEEERN C=C[C@@H](C)Nc1ccc(SC)nn1 307711398 572788938 /nfs/dbraw/zinc/78/89/38/572788938.db2.gz TVIJORJNVRUWNZ-SSDOTTSWSA-N 0 0 195.291 2.185 10 30 AEEERN CC(C)CN=NCCC(F)(F)F 308131421 572788952 /nfs/dbraw/zinc/78/89/52/572788952.db2.gz XRJMXIMCAMRGEN-UHFFFAOYSA-N 0 0 182.189 2.170 10 30 AEEERN N#CCc1ncccc1-c1cccnc1 238551456 572788954 /nfs/dbraw/zinc/78/89/54/572788954.db2.gz RTNJNIGFWCNUBQ-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C=C(C)[C@@H](O)CCC1CC1 306838393 572788978 /nfs/dbraw/zinc/78/89/78/572788978.db2.gz XJSWLSWBHDXYKF-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN CCON=CC(C)(C)CC 307768853 572789094 /nfs/dbraw/zinc/78/90/94/572789094.db2.gz AUKAKDSZPLICRV-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@H]1C(C)C 308131390 572789159 /nfs/dbraw/zinc/78/91/59/572789159.db2.gz BDQJDJKNPNZHKZ-LPEHRKFASA-N 0 0 182.263 2.396 10 30 AEEERN CCC(=NO)c1ccc(C)o1 307770457 572789436 /nfs/dbraw/zinc/78/94/36/572789436.db2.gz FPNMHPLWVLHFCR-UHFFFAOYSA-N 0 0 153.181 2.176 10 30 AEEERN C=CC[C@H](CC(N)=O)c1ccccc1 238551720 572789529 /nfs/dbraw/zinc/78/95/29/572789529.db2.gz KDMPZWULOWDHNC-LLVKDONJSA-N 0 0 189.258 2.222 10 30 AEEERN CC1=C(C(C)C)CCC1=O 141640906 572789669 /nfs/dbraw/zinc/78/96/69/572789669.db2.gz UCMZJIACGGSAGM-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN N#CC1(OCCCO)CCCCCC1 236496362 572789683 /nfs/dbraw/zinc/78/96/83/572789683.db2.gz RJPGZGZBDBCETE-UHFFFAOYSA-N 0 0 197.278 2.002 10 30 AEEERN C#C[C@@H](C)[N@H+](C)CCc1ccsc1 308131780 572789806 /nfs/dbraw/zinc/78/98/06/572789806.db2.gz BJLIIMFHKUJUDX-SNVBAGLBSA-N 0 0 193.315 2.244 10 30 AEEERN C=CCCCc1ccn(C)c1[N+](=O)[O-] 238549558 572789856 /nfs/dbraw/zinc/78/98/56/572789856.db2.gz OGHYZTVCGSKJNQ-UHFFFAOYSA-N 0 0 194.234 2.442 10 30 AEEERN CC(=O)C(C)(C)c1ccc(C#N)cc1 198632494 572790041 /nfs/dbraw/zinc/79/00/41/572790041.db2.gz SXNPBGRLMCVMOY-UHFFFAOYSA-N 0 0 187.242 2.425 10 30 AEEERN C=C(C)[C@@H]1CC[C@@]2(C)NC(=O)C[C@H]2C1 306823951 572790087 /nfs/dbraw/zinc/79/00/87/572790087.db2.gz RYXZBRVWGNVLMU-CKYFFXLPSA-N 0 0 193.290 2.257 10 30 AEEERN N#CCc1ncncc1-c1ccccc1 238551561 572790101 /nfs/dbraw/zinc/79/01/01/572790101.db2.gz JWARAGYHTZYQCZ-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN N#CCc1ccc(-c2ccncc2)nc1 238552565 572791303 /nfs/dbraw/zinc/79/13/03/572791303.db2.gz ALWBGEFIFATXEP-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN CC#C/C=C\c1ccccc1CO 308127910 572790228 /nfs/dbraw/zinc/79/02/28/572790228.db2.gz CLHOZKNYPPNUIY-DAXSKMNVSA-N 0 0 172.227 2.215 10 30 AEEERN O=CCCC(=O)c1c(F)cccc1F 238543770 572790247 /nfs/dbraw/zinc/79/02/47/572790247.db2.gz QAHQPQUXWBYAHM-UHFFFAOYSA-N 0 0 198.168 2.127 10 30 AEEERN C=C1C[C@]12CCCCC[C@H]2O 307715440 572790266 /nfs/dbraw/zinc/79/02/66/572790266.db2.gz GBGSBNMTIAHZIH-NXEZZACHSA-N 0 0 152.237 2.258 10 30 AEEERN N#CCc1ccncc1-c1ccncc1 238551024 572790278 /nfs/dbraw/zinc/79/02/78/572790278.db2.gz VYUCMVYINAEUGH-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN N#CCc1cncnc1-c1ccccc1 238551151 572790317 /nfs/dbraw/zinc/79/03/17/572790317.db2.gz FMXHMZKEKYMABM-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C=C(F)COCOC/C=C/Cl 238545005 572790321 /nfs/dbraw/zinc/79/03/21/572790321.db2.gz KQSRTKUCCDSOLH-NSCUHMNNSA-N 0 0 180.606 2.213 10 30 AEEERN C=CC[C@@H](C(N)=O)C1=CCCCC1 238551897 572790372 /nfs/dbraw/zinc/79/03/72/572790372.db2.gz GPMWOQQNFXTDCT-SNVBAGLBSA-N 0 0 179.263 2.164 10 30 AEEERN N#CCc1ccc(-c2cccnc2)nc1 238552500 572790599 /nfs/dbraw/zinc/79/05/99/572790599.db2.gz GGWFCHNKBYPVKE-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN CC#CCCC(=O)[C@@]1(C)C[C@H]1F 306851647 572791413 /nfs/dbraw/zinc/79/14/13/572791413.db2.gz QQXAWHSEVKDURY-SCZZXKLOSA-N 0 0 168.211 2.107 10 30 AEEERN C#C[C@H](C)[N@H+](C)CCc1ccsc1 308131779 572790620 /nfs/dbraw/zinc/79/06/20/572790620.db2.gz BJLIIMFHKUJUDX-JTQLQIEISA-N 0 0 193.315 2.244 10 30 AEEERN C=C[C@@](C)(O)C1CCCC1 306835482 572790634 /nfs/dbraw/zinc/79/06/34/572790634.db2.gz SOZBDWTVVGNONW-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCC[C@]1(O)CC[C@H]2C[C@H]21 306814338 572790669 /nfs/dbraw/zinc/79/06/69/572790669.db2.gz BQBOZDSVPDUVJV-AEJSXWLSSA-N 0 0 152.237 2.114 10 30 AEEERN C=CCCC(CC)=NOC 307768837 572790752 /nfs/dbraw/zinc/79/07/52/572790752.db2.gz ASHSHRGXVXSQBN-UHFFFAOYSA-N 0 0 141.214 2.365 10 30 AEEERN CCCC=NOCC(C)C 307768790 572790758 /nfs/dbraw/zinc/79/07/58/572790758.db2.gz AMDQDQAPMLDPQD-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN C=C[C@H](O)C/C=C(\CC)[C@@H](C)OC 308127927 572790800 /nfs/dbraw/zinc/79/08/00/572790800.db2.gz COFKHRJAQZXNQF-LCIINNLCSA-N 0 0 184.279 2.295 10 30 AEEERN N#CCc1ccncc1-c1cccnc1 238551005 572791452 /nfs/dbraw/zinc/79/14/52/572791452.db2.gz KIOUHPRTUYLAIA-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C=CCN1CCc2ccc(OC)cc21 306808912 572790868 /nfs/dbraw/zinc/79/08/68/572790868.db2.gz QLKNTISGJNHZLE-UHFFFAOYSA-N 0 0 189.258 2.244 10 30 AEEERN C=CC[C@@H](O)C(=O)c1ccc(C)cc1 238551940 572790882 /nfs/dbraw/zinc/79/08/82/572790882.db2.gz VNSPUBXHMJCGTQ-LLVKDONJSA-N 0 0 190.242 2.115 10 30 AEEERN C=CCCCNc1ccc(N)cn1 308128427 572790917 /nfs/dbraw/zinc/79/09/17/572790917.db2.gz AQEJRPMSFSKTPQ-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN C#C[C@@H](O)/C=C/CC1=CCCC1 141606873 572790922 /nfs/dbraw/zinc/79/09/22/572790922.db2.gz WSZXNBQWZFMEEJ-FZPLPXEFSA-N 0 0 162.232 2.037 10 30 AEEERN C=C[C@@H](CO)Oc1cc(C)cc(C)c1 238549870 572790963 /nfs/dbraw/zinc/79/09/63/572790963.db2.gz XTBNVWKJOGUECU-NSHDSACASA-N 0 0 192.258 2.229 10 30 AEEERN N#CCc1ccc(-c2ccncc2)cn1 238552547 572791002 /nfs/dbraw/zinc/79/10/02/572791002.db2.gz NROSDHGVOSQTDC-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C#C[C@H](O)/C=C/CC1=CCCC1 141607259 572791059 /nfs/dbraw/zinc/79/10/59/572791059.db2.gz WSZXNBQWZFMEEJ-NKLKJHRZSA-N 0 0 162.232 2.037 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)C1(SC)CC1 308127714 572791122 /nfs/dbraw/zinc/79/11/22/572791122.db2.gz AGDMAOMOGBLNGS-IUCAKERBSA-N 0 0 199.319 2.183 10 30 AEEERN C=CCOc1c(C)cc(C)cc1CO 238544897 572791146 /nfs/dbraw/zinc/79/11/46/572791146.db2.gz JLNVCSWFWXRVSH-UHFFFAOYSA-N 0 0 192.258 2.361 10 30 AEEERN C=C1C[C@H](O)C[C@H]2[C@@H]1CC[C@H]2C 307751978 572791250 /nfs/dbraw/zinc/79/12/50/572791250.db2.gz QCIQEAIXLKHYFV-APHKKCJPSA-N 0 0 166.264 2.360 10 30 AEEERN C=CCOc1cccc(C=O)c1C 238549549 572791387 /nfs/dbraw/zinc/79/13/87/572791387.db2.gz JVUVPIGFSXLONQ-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN N#CCCCCc1cccnc1 238544177 572791449 /nfs/dbraw/zinc/79/14/49/572791449.db2.gz OFLWZLLBAHRFBU-UHFFFAOYSA-N 0 0 160.220 2.318 10 30 AEEERN CCC(C)=NNC(C)(C)C 307769692 572791506 /nfs/dbraw/zinc/79/15/06/572791506.db2.gz BGYROZINELAMHD-UHFFFAOYSA-N 0 0 142.246 2.160 10 30 AEEERN C=C(C)CCC(C)(C)CO 196680745 572791639 /nfs/dbraw/zinc/79/16/39/572791639.db2.gz PJYNOSPRYPKFRV-UHFFFAOYSA-N 0 0 142.242 2.361 10 30 AEEERN CC#CCC1=C[C@@H](O)C[C@@H](C)C1 307734689 572791662 /nfs/dbraw/zinc/79/16/62/572791662.db2.gz PGIZKCZXYPYXFG-ONGXEEELSA-N 0 0 164.248 2.117 10 30 AEEERN CCCCC/C=C\C[C@]1(CO)CO1 308127920 572791890 /nfs/dbraw/zinc/79/18/90/572791890.db2.gz CNCJDGPCOYSTRC-ZADCQDASSA-N 0 0 184.279 2.274 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H](C)CC(C)C 308131766 572791699 /nfs/dbraw/zinc/79/16/99/572791699.db2.gz BIOGTVPIKGFTOQ-NXEZZACHSA-N 0 0 182.263 2.234 10 30 AEEERN C=C[C@H](O)C/C=C(\CC)[C@H](C)OC 308127928 572791729 /nfs/dbraw/zinc/79/17/29/572791729.db2.gz COFKHRJAQZXNQF-YCPUKSTGSA-N 0 0 184.279 2.295 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H](C)CC(C)C 308131768 572791893 /nfs/dbraw/zinc/79/18/93/572791893.db2.gz BIOGTVPIKGFTOQ-VHSXEESVSA-N 0 0 182.263 2.234 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)CC(C)C 308131767 572792132 /nfs/dbraw/zinc/79/21/32/572792132.db2.gz BIOGTVPIKGFTOQ-UWVGGRQHSA-N 0 0 182.263 2.234 10 30 AEEERN C=CCC[C@](C)(O)[C@@H]1C[C@H]1C 307741357 572792162 /nfs/dbraw/zinc/79/21/62/572792162.db2.gz QSPCZCLCWIVRFK-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)CC[C@@H](O)C(C)(F)F 307756636 572792227 /nfs/dbraw/zinc/79/22/27/572792227.db2.gz IPWOACSDNJLJEQ-SSDOTTSWSA-N 0 0 164.195 2.359 10 30 AEEERN CC=CC(=O)Cc1nc(C)cs1 307933557 572792567 /nfs/dbraw/zinc/79/25/67/572792567.db2.gz HCAJAMJDRNWVFX-ARJAWSKDSA-N 0 0 181.260 2.139 10 30 AEEERN C=C(C)[C@H]1C[C@H](O)[C@@H](C)[C@@H]1C 307751595 572792575 /nfs/dbraw/zinc/79/25/75/572792575.db2.gz OPAFQWIOXVPFTL-QEYWKRMJSA-N 0 0 154.253 2.216 10 30 AEEERN C1CCC(OCCC[C@H]2CO2)C1 308131580 572792615 /nfs/dbraw/zinc/79/26/15/572792615.db2.gz XWTPDQIZIRITCJ-JTQLQIEISA-N 0 0 170.252 2.125 10 30 AEEERN C/C(=C/C=C\[C@@H](C)O)CCC#N 307934094 572792646 /nfs/dbraw/zinc/79/26/46/572792646.db2.gz HXVUKRGGFAHIFF-HBGJQBICSA-N 0 0 165.236 2.173 10 30 AEEERN C=CC(C)(C)C(=O)[C@H](C)[C@H](O)C(C)C 117949191 572792714 /nfs/dbraw/zinc/79/27/14/572792714.db2.gz WFZYOHDYBXJJSK-NXEZZACHSA-N 0 0 198.306 2.421 10 30 AEEERN CC#C[C@@H](O)c1ccc(C)c(C)c1 307713037 572792786 /nfs/dbraw/zinc/79/27/86/572792786.db2.gz ZGGLHVKLGHOURV-GFCCVEGCSA-N 0 0 174.243 2.360 10 30 AEEERN C1CCC(OCCC[C@@H]2CO2)C1 308131582 572792792 /nfs/dbraw/zinc/79/27/92/572792792.db2.gz XWTPDQIZIRITCJ-SNVBAGLBSA-N 0 0 170.252 2.125 10 30 AEEERN C/C=C\C(=O)c1cncc(C)c1 307934071 572792811 /nfs/dbraw/zinc/79/28/11/572792811.db2.gz HQLQICNOSNLKQZ-ARJAWSKDSA-N 0 0 161.204 2.149 10 30 AEEERN C#CC[C@@H](O)[C@@H](O)CCCCCCC 117880973 572793723 /nfs/dbraw/zinc/79/37/23/572793723.db2.gz GZCFGGVLYVGATN-NEPJUHHUSA-N 0 0 198.306 2.092 10 30 AEEERN CCCCC/C=C\C[C@@]1(CO)CO1 308127919 572792889 /nfs/dbraw/zinc/79/28/89/572792889.db2.gz CNCJDGPCOYSTRC-JMEBYUIHSA-N 0 0 184.279 2.274 10 30 AEEERN C=C(C)CN[C@@H]1CCCC1(F)F 306891239 572792975 /nfs/dbraw/zinc/79/29/75/572792975.db2.gz ABYSEBAOMTUZQI-MRVPVSSYSA-N 0 0 175.222 2.340 10 30 AEEERN OCCCCCCCCC=NO 307935603 572793209 /nfs/dbraw/zinc/79/32/09/572793209.db2.gz LUAZTSLDFIAMDY-UHFFFAOYSA-N 0 0 173.256 2.169 10 30 AEEERN C=C[C@@H](O)CC1=C[C@H]2CC[C@@H]1C2 307752199 572793218 /nfs/dbraw/zinc/79/32/18/572793218.db2.gz QUKUEWWODMJZET-IQJOONFLSA-N 0 0 164.248 2.280 10 30 AEEERN C=CC(C)(C)C(=O)[C@@H](C)[C@H](O)C(C)C 117949194 572793735 /nfs/dbraw/zinc/79/37/35/572793735.db2.gz WFZYOHDYBXJJSK-VHSXEESVSA-N 0 0 198.306 2.421 10 30 AEEERN CCN(C)N=C(C)c1cccs1 307940603 572793278 /nfs/dbraw/zinc/79/32/78/572793278.db2.gz BQGMKBIREXRNNM-UHFFFAOYSA-N 0 0 182.292 2.424 10 30 AEEERN C/C(=C/C=C\[C@H](C)O)CCC#N 307934095 572793380 /nfs/dbraw/zinc/79/33/80/572793380.db2.gz HXVUKRGGFAHIFF-LBRXUBLXSA-N 0 0 165.236 2.173 10 30 AEEERN CC(F)(F)[C@@H](N)C#Cc1ccccc1 307714648 572793389 /nfs/dbraw/zinc/79/33/89/572793389.db2.gz FRWNORYXDCSYJN-JTQLQIEISA-N 0 0 195.212 2.021 10 30 AEEERN C#CC[C@H](O)[C@H](O)CCCCCCC 117880967 572793393 /nfs/dbraw/zinc/79/33/93/572793393.db2.gz GZCFGGVLYVGATN-NWDGAFQWSA-N 0 0 198.306 2.092 10 30 AEEERN CC1=CC(=O)[C@@H]2CCC[C@]12C 141648984 572794271 /nfs/dbraw/zinc/79/42/71/572794271.db2.gz IQKGNQXIJBWIJY-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCCC(=O)[C@H](O)c1ccccc1 236508907 572794470 /nfs/dbraw/zinc/79/44/70/572794470.db2.gz NKYMRZIIOSRGCO-GFCCVEGCSA-N 0 0 190.242 2.255 10 30 AEEERN CCCC/C=C\C#CC(C)=O 307723113 572794498 /nfs/dbraw/zinc/79/44/98/572794498.db2.gz TZRBSWIBGGOCKS-SREVYHEPSA-N 0 0 150.221 2.325 10 30 AEEERN C=C[C@]1(C)CC[C@H]([C@@H](C)[C@H](C)O)O1 307727973 572794560 /nfs/dbraw/zinc/79/45/60/572794560.db2.gz DTMNLTMKMOJMPJ-UKKRHICBSA-N 0 0 184.279 2.127 10 30 AEEERN C=C[C@]12CC=CC[C@@H]1CC(=O)C2 196692132 572794666 /nfs/dbraw/zinc/79/46/66/572794666.db2.gz SQHGLUNOWCXUEY-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C=C(Cl)CN1CC[C@@](C)(F)C1 307741662 572794864 /nfs/dbraw/zinc/79/48/64/572794864.db2.gz JJDWEVOOAAHVSX-MRVPVSSYSA-N 0 0 177.650 2.173 10 30 AEEERN C#CCCNc1c(F)cccc1OC 307761395 572794930 /nfs/dbraw/zinc/79/49/30/572794930.db2.gz ZIBFRQKCXHHWEV-UHFFFAOYSA-N 0 0 193.221 2.270 10 30 AEEERN CC#CCC1=C[C@H](O)C[C@@H](C)C1 307734686 572795139 /nfs/dbraw/zinc/79/51/39/572795139.db2.gz PGIZKCZXYPYXFG-GXSJLCMTSA-N 0 0 164.248 2.117 10 30 AEEERN C=CC[C@H]1CCC(C)(C)C(=O)[C@@H]1CO 307742522 572795480 /nfs/dbraw/zinc/79/54/80/572795480.db2.gz KPAFIAIFIDQVGE-VHSXEESVSA-N 0 0 196.290 2.176 10 30 AEEERN CC(C)CCN(CCF)CCC#N 308132009 572795736 /nfs/dbraw/zinc/79/57/36/572795736.db2.gz BKOBHEAWTIYKJH-UHFFFAOYSA-N 0 0 186.274 2.218 10 30 AEEERN Cc1ccsc1[C@@H](C)C=O 91365792 572796064 /nfs/dbraw/zinc/79/60/64/572796064.db2.gz IUCNKBDVDNMVQN-ZETCQYMHSA-N 0 0 154.234 2.359 10 30 AEEERN C=C[C@@H](O)[C@@]12CC[C@@H]1[C@H]1C=C[C@@H]2C1 306808424 572796096 /nfs/dbraw/zinc/79/60/96/572796096.db2.gz PBGFHNLEUJXQSE-VSSNEEPJSA-N 0 0 176.259 2.136 10 30 AEEERN C=CC[C@@H](CC(N)=O)c1ccccc1 238554731 572796400 /nfs/dbraw/zinc/79/64/00/572796400.db2.gz KDMPZWULOWDHNC-NSHDSACASA-N 0 0 189.258 2.222 10 30 AEEERN C=C(C)C#Cc1ccccc1C=O 141688137 572796490 /nfs/dbraw/zinc/79/64/90/572796490.db2.gz ULJAQDWMRMPNFK-UHFFFAOYSA-N 0 0 170.211 2.427 10 30 AEEERN C=CCC1(CC=C)C(=O)CCC1=O 117875105 572796527 /nfs/dbraw/zinc/79/65/27/572796527.db2.gz PVQFSSGBSSPTSR-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN N#CCc1cnc(-c2ccccc2)nc1 238553325 572796540 /nfs/dbraw/zinc/79/65/40/572796540.db2.gz JYEXHHOTVGYVBT-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN CCO/N=C(/C)c1cccc(O)c1 141678166 572796589 /nfs/dbraw/zinc/79/65/89/572796589.db2.gz MIOMHDCGHKINBI-FLIBITNWSA-N 0 0 179.219 2.153 10 30 AEEERN C=CC[C@@H]1Oc2ccccc2[C@H]1O 307702033 572796909 /nfs/dbraw/zinc/79/69/09/572796909.db2.gz OIKBNOHOSZZNKY-WDEREUQCSA-N 0 0 176.215 2.057 10 30 AEEERN C=C=CC(=O)c1cccc(OC)c1F 307721419 572796916 /nfs/dbraw/zinc/79/69/16/572796916.db2.gz WQKQGYXYOATFBO-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C=C(C)[C@@H]1CC[C@]2(C)NC(=O)C[C@H]2C1 306823952 572797195 /nfs/dbraw/zinc/79/71/95/572797195.db2.gz RYXZBRVWGNVLMU-FOGDFJRCSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCC[C@@H](CC(N)=O)c1ccco1 238554749 572797205 /nfs/dbraw/zinc/79/72/05/572797205.db2.gz PLZCFCUOHJIEKN-VIFPVBQESA-N 0 0 193.246 2.205 10 30 AEEERN C=CC[C@@H]1C(=O)[C@@H]2CC[C@H]1C2 307730385 572797335 /nfs/dbraw/zinc/79/73/35/572797335.db2.gz ICCDPZFFHSCTJZ-YIZRAAEISA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@@H]1[C@@H]2C[C@@H](O)[C@H]1c1ccccc12 307754360 572797591 /nfs/dbraw/zinc/79/75/91/572797591.db2.gz ZESDKFZDGSLKGF-GHORINQJSA-N 0 0 186.254 2.434 10 30 AEEERN NN=Cc1cc(Cl)cc(Cl)c1 307936882 572797647 /nfs/dbraw/zinc/79/76/47/572797647.db2.gz YTXKYITUGXWMMS-UHFFFAOYSA-N 0 0 189.045 2.286 10 30 AEEERN C=CC[C@@H](O)C1(SC)CCC1 307727415 572797905 /nfs/dbraw/zinc/79/79/05/572797905.db2.gz FKKQMMBDUDXMBM-MRVPVSSYSA-N 0 0 172.293 2.209 10 30 AEEERN CCC(=NN(C)C)c1cccs1 307937076 572797906 /nfs/dbraw/zinc/79/79/06/572797906.db2.gz ABOQQOURKAMYBU-UHFFFAOYSA-N 0 0 182.292 2.424 10 30 AEEERN Fc1ncc(C#Cc2ccccc2)cn1 238553165 572798227 /nfs/dbraw/zinc/79/82/27/572798227.db2.gz RGSXYLAVERPFDM-UHFFFAOYSA-N 0 0 198.200 2.016 10 30 AEEERN C=C(C)CC(=O)N1CCCCCC1 307708662 572798285 /nfs/dbraw/zinc/79/82/85/572798285.db2.gz JQVAANZPULOADP-UHFFFAOYSA-N 0 0 181.279 2.355 10 30 AEEERN C=C1C[C@H]2C[C@@H]1[C@@H]1CCC[C@H]2[C@@H]1O 306894268 572798457 /nfs/dbraw/zinc/79/84/57/572798457.db2.gz KVQLTGVSIRVJCT-OSUNSFLBSA-N 0 0 178.275 2.360 10 30 AEEERN C=C[C@@](C)(O)CC(C)(C)C 307760142 572798713 /nfs/dbraw/zinc/79/87/13/572798713.db2.gz UXDFJAICKKWZBZ-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C#CCCCSC(=S)OC 307717087 572799049 /nfs/dbraw/zinc/79/90/49/572799049.db2.gz JALSIZSLHACLAV-UHFFFAOYSA-N 0 0 174.290 2.064 10 30 AEEERN CCC(=NNCC1CC1)C(C)C 307937886 572799119 /nfs/dbraw/zinc/79/91/19/572799119.db2.gz AOOGKTPTCBQWAO-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN COc1ccccc1O[C@@H](C)CC=O 214765350 572799270 /nfs/dbraw/zinc/79/92/70/572799270.db2.gz SDGHDBTUQTVIGS-VIFPVBQESA-N 0 0 194.230 2.052 10 30 AEEERN Cc1cc([C@H](C#N)N(C)C)c(C)s1 49688005 572801640 /nfs/dbraw/zinc/80/16/40/572801640.db2.gz DGQFFJPBJNTSRZ-JTQLQIEISA-N 0 0 194.303 2.491 10 30 AEEERN C#CCCCS[C@@H](C)COC 307937618 572799522 /nfs/dbraw/zinc/79/95/22/572799522.db2.gz ZGYYHERCYGVXAB-VIFPVBQESA-N 0 0 172.293 2.168 10 30 AEEERN C#CCCCS[C@H](C)COC 307937617 572799544 /nfs/dbraw/zinc/79/95/44/572799544.db2.gz ZGYYHERCYGVXAB-SECBINFHSA-N 0 0 172.293 2.168 10 30 AEEERN C/C=C(\CC)C(=O)CCCOC 307938106 572799744 /nfs/dbraw/zinc/79/97/44/572799744.db2.gz QHRDSYKMQKYBSU-RUDMXATFSA-N 0 0 170.252 2.338 10 30 AEEERN C#CC(=O)Nc1c(C)cccc1Cl 307753617 572799938 /nfs/dbraw/zinc/79/99/38/572799938.db2.gz WOFGYDPKZGMIHB-UHFFFAOYSA-N 0 0 193.633 2.220 10 30 AEEERN CC(=O)/C=C1\CCC[C@@H]2C[C@H]12 307938289 572799944 /nfs/dbraw/zinc/79/99/44/572799944.db2.gz ZQPJVCSQBXPSRT-STFJZOTBSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@@H](c1ccc(C#N)cc1)[C@H](C)O 306855822 572799964 /nfs/dbraw/zinc/79/99/64/572799964.db2.gz WIJJIMAXOVZSBQ-JOYOIKCWSA-N 0 0 187.242 2.209 10 30 AEEERN C#CCCCSC[C@@H](C)OC 307937626 572799972 /nfs/dbraw/zinc/79/99/72/572799972.db2.gz ZHSBFGWHADDUEP-SECBINFHSA-N 0 0 172.293 2.168 10 30 AEEERN C[C@H](O)CC=Nc1ccccc1 307939489 572800059 /nfs/dbraw/zinc/80/00/59/572800059.db2.gz LRKYXXXUKVDWRB-VIFPVBQESA-N 0 0 163.220 2.160 10 30 AEEERN COc1cccc(O[C@H](C)CC=O)c1 214765870 572800137 /nfs/dbraw/zinc/80/01/37/572800137.db2.gz UFTUEWISNQOZOJ-SECBINFHSA-N 0 0 194.230 2.052 10 30 AEEERN COc1ccccc1O[C@H](C)CC=O 214765398 572800207 /nfs/dbraw/zinc/80/02/07/572800207.db2.gz SDGHDBTUQTVIGS-SECBINFHSA-N 0 0 194.230 2.052 10 30 AEEERN C#CC[C@](O)(CC)[C@H]1CC1(C)C 306873415 572800262 /nfs/dbraw/zinc/80/02/62/572800262.db2.gz XMFBOFUMDMCUOZ-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN CC(=O)OCCCCCCCC=O 118093626 572800279 /nfs/dbraw/zinc/80/02/79/572800279.db2.gz KYCLIHYYHGOPPW-UHFFFAOYSA-N 0 0 186.251 2.089 10 30 AEEERN Cc1ccc(C)c([C@@H](C#N)N(C)C)c1 49671073 572800318 /nfs/dbraw/zinc/80/03/18/572800318.db2.gz LIEOVTHRGNHTQZ-GFCCVEGCSA-N 0 0 188.274 2.430 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@]1(O)CC#N 235342209 572800380 /nfs/dbraw/zinc/80/03/80/572800380.db2.gz ZTDHOLHJZMRWFU-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN C#C[C@@H](C)[C@@H](O)/C=C\CCCC 307939011 572800387 /nfs/dbraw/zinc/80/03/87/572800387.db2.gz LCFBUCOOESINBZ-XJMUJKMXSA-N 0 0 166.264 2.363 10 30 AEEERN N#CCc1cnc2c3occc3ccn12 238553516 572800440 /nfs/dbraw/zinc/80/04/40/572800440.db2.gz BEXACXXHJLTXTQ-UHFFFAOYSA-N 0 0 197.197 2.147 10 30 AEEERN C[C@@H](O)CC=Nc1ccccc1 307939488 572800522 /nfs/dbraw/zinc/80/05/22/572800522.db2.gz LRKYXXXUKVDWRB-SECBINFHSA-N 0 0 163.220 2.160 10 30 AEEERN C=CCCOC(=O)CSCCC 307938426 572800647 /nfs/dbraw/zinc/80/06/47/572800647.db2.gz AEXDQGHXNYBTFZ-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN CC#CCCC(=O)[C@]1(C)C[C@@H]1F 306851653 572800666 /nfs/dbraw/zinc/80/06/66/572800666.db2.gz QQXAWHSEVKDURY-WCBMZHEXSA-N 0 0 168.211 2.107 10 30 AEEERN C=CCCSCCO[C@@H](C)C#N 307939865 572802609 /nfs/dbraw/zinc/80/26/09/572802609.db2.gz BEEBZMWAGZSLEJ-VIFPVBQESA-N 0 0 185.292 2.224 10 30 AEEERN C#CCON=CCC(CC)CC 307938343 572800909 /nfs/dbraw/zinc/80/09/09/572800909.db2.gz ABCBEQNDRIXANR-UHFFFAOYSA-N 0 0 167.252 2.448 10 30 AEEERN N#CCc1cncc(-c2cccnc2)c1 238553598 572801022 /nfs/dbraw/zinc/80/10/22/572801022.db2.gz SEXWSHVQSNJARO-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN COc1cccc(O[C@@H](C)CC=O)c1 214765817 572801088 /nfs/dbraw/zinc/80/10/88/572801088.db2.gz UFTUEWISNQOZOJ-VIFPVBQESA-N 0 0 194.230 2.052 10 30 AEEERN CCC=CC(=O)Cc1ccoc1 307939061 572801154 /nfs/dbraw/zinc/80/11/54/572801154.db2.gz SMHGJNTYZUNYRV-ARJAWSKDSA-N 0 0 164.204 2.357 10 30 AEEERN CCCNN=CCC(C)(C)C 307938488 572801337 /nfs/dbraw/zinc/80/13/37/572801337.db2.gz ZXRKPMSJVPIGLA-UHFFFAOYSA-N 0 0 156.273 2.408 10 30 AEEERN N#CCc1cnc2c3ccoc3ccn12 238553482 572801480 /nfs/dbraw/zinc/80/14/80/572801480.db2.gz CTLHGCDZOCPACK-UHFFFAOYSA-N 0 0 197.197 2.147 10 30 AEEERN C#CCCCSC[C@H](C)OC 307937627 572801645 /nfs/dbraw/zinc/80/16/45/572801645.db2.gz ZHSBFGWHADDUEP-VIFPVBQESA-N 0 0 172.293 2.168 10 30 AEEERN C#C[C@@H](C)[C@@H](O)/C=C/CCCC 307939010 572801665 /nfs/dbraw/zinc/80/16/65/572801665.db2.gz LCFBUCOOESINBZ-OJLMFNQTSA-N 0 0 166.264 2.363 10 30 AEEERN O=CC/C=C/c1ccc(F)cc1 118007752 572802010 /nfs/dbraw/zinc/80/20/10/572802010.db2.gz VZIDKARMSGLIBY-HNQUOIGGSA-N 0 0 164.179 2.428 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)NCC(C)C 308132448 572802113 /nfs/dbraw/zinc/80/21/13/572802113.db2.gz BWAWQACVEBLLMQ-VHSXEESVSA-N 0 0 183.295 2.217 10 30 AEEERN O=CC/C=C\c1cccc(F)c1 117998699 572802118 /nfs/dbraw/zinc/80/21/18/572802118.db2.gz QQHPYHUPOSUAKA-RJRFIUFISA-N 0 0 164.179 2.428 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)NCC(C)C 308132450 572802120 /nfs/dbraw/zinc/80/21/20/572802120.db2.gz BWAWQACVEBLLMQ-ZJUUUORDSA-N 0 0 183.295 2.217 10 30 AEEERN C=CCCCC(=O)N(C)CCC 307940254 572802164 /nfs/dbraw/zinc/80/21/64/572802164.db2.gz BKNQQODKIYKILN-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN C=CCc1noc(CC(C)(C)C)n1 308132738 572802182 /nfs/dbraw/zinc/80/21/82/572802182.db2.gz CAHBZSXANLDEBI-UHFFFAOYSA-N 0 0 180.251 2.387 10 30 AEEERN Cc1cc([C@@H](C#N)N(C)C)c(C)s1 49688004 572802203 /nfs/dbraw/zinc/80/22/03/572802203.db2.gz DGQFFJPBJNTSRZ-SNVBAGLBSA-N 0 0 194.303 2.491 10 30 AEEERN C=CCC(=O)C1(CC)CC1 306848110 572802227 /nfs/dbraw/zinc/80/22/27/572802227.db2.gz MEEDSSGAXXZGKA-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN Cc1ccc(C)c([C@H](C#N)N(C)C)c1 49671074 572802414 /nfs/dbraw/zinc/80/24/14/572802414.db2.gz LIEOVTHRGNHTQZ-LBPRGKRZSA-N 0 0 188.274 2.430 10 30 AEEERN C#CC[C@@](O)(CC)[C@H]1CC1(C)C 306873418 572802418 /nfs/dbraw/zinc/80/24/18/572802418.db2.gz XMFBOFUMDMCUOZ-ONGXEEELSA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)NCC(C)C 308132444 572802591 /nfs/dbraw/zinc/80/25/91/572802591.db2.gz BWAWQACVEBLLMQ-NXEZZACHSA-N 0 0 183.295 2.217 10 30 AEEERN CC(C)C(C#N)=CNNC(C)(C)C 308132433 572803676 /nfs/dbraw/zinc/80/36/76/572803676.db2.gz BVXIJIVGDVVOJV-VIFPVBQESA-N 0 0 181.283 2.156 10 30 AEEERN COc1cccc(/C=C/CC=O)c1 118020082 572802470 /nfs/dbraw/zinc/80/24/70/572802470.db2.gz QCRLHIFJONONFJ-GORDUTHDSA-N 0 0 176.215 2.297 10 30 AEEERN CC#C[C@H](O)c1ccc(OCC)cc1 306816579 572802481 /nfs/dbraw/zinc/80/24/81/572802481.db2.gz CFLYNRMPVYFDTE-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN CCCON=Cc1ccccc1 307939932 572802487 /nfs/dbraw/zinc/80/24/87/572802487.db2.gz BHIAIJUIZWCYKY-UHFFFAOYSA-N 0 0 163.220 2.447 10 30 AEEERN C=C(C)/C(C)=C/CC(C)=O 306835834 572802552 /nfs/dbraw/zinc/80/25/52/572802552.db2.gz SYRNPQVQEKGECP-VMPITWQZSA-N 0 0 138.210 2.488 10 30 AEEERN C[C@@]12CCCC1=CC(=O)C2 43762008 572802839 /nfs/dbraw/zinc/80/28/39/572802839.db2.gz VMPPVSQJDLMPCW-VIFPVBQESA-N 0 0 136.194 2.076 10 30 AEEERN O=CC/C=C/c1ccccc1F 118007515 572802840 /nfs/dbraw/zinc/80/28/40/572802840.db2.gz FQFXLRQMBNKXJN-ZZXKWVIFSA-N 0 0 164.179 2.428 10 30 AEEERN CC(C)(C)C#CC[C@@H](O)C(C)(F)F 306899651 572802933 /nfs/dbraw/zinc/80/29/33/572802933.db2.gz DOWBIRARUDXXDY-MRVPVSSYSA-N 0 0 190.233 2.442 10 30 AEEERN CC(C)C(C#N)=CNNC(C)(C)C 308132432 572803183 /nfs/dbraw/zinc/80/31/83/572803183.db2.gz BVXIJIVGDVVOJV-SECBINFHSA-N 0 0 181.283 2.156 10 30 AEEERN CC(C)(C)NN=Cc1ccoc1 307939936 572803286 /nfs/dbraw/zinc/80/32/86/572803286.db2.gz BHUSODVZFMJMBA-UHFFFAOYSA-N 0 0 166.224 2.002 10 30 AEEERN C=CCC[C@H](O)c1ccns1 404484894 572803293 /nfs/dbraw/zinc/80/32/93/572803293.db2.gz AKYZXQOOPRCWCE-ZETCQYMHSA-N 0 0 169.249 2.143 10 30 AEEERN N#CCc1ncc(-c2ccccc2)cn1 238553818 572803301 /nfs/dbraw/zinc/80/33/01/572803301.db2.gz CPSAOERBTSMSBZ-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN O=CC[C@@H](c1ccc[nH]1)C(F)(F)F 238553962 572803509 /nfs/dbraw/zinc/80/35/09/572803509.db2.gz LTQFWVFZCOJHPR-LURJTMIESA-N 0 0 191.152 2.250 10 30 AEEERN COc1ccc(C#N)c(NC(C)C)c1 83823953 572803566 /nfs/dbraw/zinc/80/35/66/572803566.db2.gz YTFWXMKETFEYFC-UHFFFAOYSA-N 0 0 190.246 2.387 10 30 AEEERN COc1ccc(/C=C\CC=O)cc1 118019395 572803639 /nfs/dbraw/zinc/80/36/39/572803639.db2.gz CAENPNDJSRTPGZ-RQOWECAXSA-N 0 0 176.215 2.297 10 30 AEEERN CC#C[C@](C)(O)C1CCCCC1 306841030 572803723 /nfs/dbraw/zinc/80/37/23/572803723.db2.gz FEVJWKXSKLHSNC-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=CCCSCCO[C@H](C)C#N 307939864 572803855 /nfs/dbraw/zinc/80/38/55/572803855.db2.gz BEEBZMWAGZSLEJ-SECBINFHSA-N 0 0 185.292 2.224 10 30 AEEERN N#CCc1nccc(-c2ccccc2)n1 238553865 572803910 /nfs/dbraw/zinc/80/39/10/572803910.db2.gz ZSXHHHKIBLNQQE-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C=CCCCOC(=O)CCSC 307940419 572803921 /nfs/dbraw/zinc/80/39/21/572803921.db2.gz WNWXSTOYQUVBQB-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C=C(C)COC(=O)CCSCC 307940466 572803948 /nfs/dbraw/zinc/80/39/48/572803948.db2.gz WXRYLYAZKJFFHS-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN O=CC/C=C/c1cccc(F)c1 117998702 572803957 /nfs/dbraw/zinc/80/39/57/572803957.db2.gz QQHPYHUPOSUAKA-DAFODLJHSA-N 0 0 164.179 2.428 10 30 AEEERN O=CC/C=C\c1ccc(F)cc1 118007750 572804060 /nfs/dbraw/zinc/80/40/60/572804060.db2.gz VZIDKARMSGLIBY-IWQZZHSRSA-N 0 0 164.179 2.428 10 30 AEEERN COc1cccc(/C=C\CC=O)c1 118020080 572804151 /nfs/dbraw/zinc/80/41/51/572804151.db2.gz QCRLHIFJONONFJ-DJWKRKHSSA-N 0 0 176.215 2.297 10 30 AEEERN CCCCCCC[C@@]1(CO)CO1 118052561 572804455 /nfs/dbraw/zinc/80/44/55/572804455.db2.gz IWNJDAZGCBCCGD-SNVBAGLBSA-N 0 0 172.268 2.108 10 30 AEEERN O=CC/C=C\c1ccccc1F 118007513 572804512 /nfs/dbraw/zinc/80/45/12/572804512.db2.gz FQFXLRQMBNKXJN-UTCJRWHESA-N 0 0 164.179 2.428 10 30 AEEERN COc1ccccc1/C=C\CC=O 118000011 572804604 /nfs/dbraw/zinc/80/46/04/572804604.db2.gz ORIGRTIHTUFUCF-DAXSKMNVSA-N 0 0 176.215 2.297 10 30 AEEERN Cc1ccc(N(C)CCC#N)cc1 49800891 572804593 /nfs/dbraw/zinc/80/45/93/572804593.db2.gz PPVOKEHBBJQBKP-UHFFFAOYSA-N 0 0 174.247 2.345 10 30 AEEERN CCCCCCC(CCO)=NO 307940490 572804623 /nfs/dbraw/zinc/80/46/23/572804623.db2.gz WIDIWUVQXOQPOE-UHFFFAOYSA-N 0 0 173.256 2.169 10 30 AEEERN CN(CCC#N)c1ccc(F)cc1 49800116 572804685 /nfs/dbraw/zinc/80/46/85/572804685.db2.gz ZLNAZHMNYJQXGK-UHFFFAOYSA-N 0 0 178.210 2.176 10 30 AEEERN COc1ccccc1N(C)CCC#N 49800106 572804847 /nfs/dbraw/zinc/80/48/47/572804847.db2.gz ZKHYTZDRJQKYON-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN CCCCCCC[C@]1(CO)CO1 118052201 572805014 /nfs/dbraw/zinc/80/50/14/572805014.db2.gz IWNJDAZGCBCCGD-JTQLQIEISA-N 0 0 172.268 2.108 10 30 AEEERN CC(=NO)[C@H]1Cc2ccccc21 307941196 572805146 /nfs/dbraw/zinc/80/51/46/572805146.db2.gz OEECJXXNEJIBMM-SNVBAGLBSA-N 0 0 161.204 2.176 10 30 AEEERN C=C[C@H]1CCCCN1c1ncns1 306874394 572805237 /nfs/dbraw/zinc/80/52/37/572805237.db2.gz ZTBGLJLILLXZKU-QMMMGPOBSA-N 0 0 195.291 2.083 10 30 AEEERN CC(=NO)[C@@H]1Cc2ccccc21 307941194 572805422 /nfs/dbraw/zinc/80/54/22/572805422.db2.gz OEECJXXNEJIBMM-JTQLQIEISA-N 0 0 161.204 2.176 10 30 AEEERN C=CCCCCCC(=O)[C@H](O)C1CC1 236525013 572805843 /nfs/dbraw/zinc/80/58/43/572805843.db2.gz HVWLLEKCKQILME-GFCCVEGCSA-N 0 0 196.290 2.463 10 30 AEEERN C=C(C)C[C@H](O)[C@@]1(C)C[C@@H]1F 306863663 572805853 /nfs/dbraw/zinc/80/58/53/572805853.db2.gz IWYOVMFBCCCCNK-CIUDSAMLSA-N 0 0 158.216 2.062 10 30 AEEERN CC/C=C\C(=O)[C@@H](C)CCOC 307940871 572805899 /nfs/dbraw/zinc/80/58/99/572805899.db2.gz XOLRTFAWMMQULE-UDIARPCQSA-N 0 0 170.252 2.194 10 30 AEEERN C#CCON=C(C)CC1CCC1 307941855 572805954 /nfs/dbraw/zinc/80/59/54/572805954.db2.gz CPYVXJZNTHQJHH-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN C=CCCCCCC(=O)[C@@H](O)C1CC1 236519692 572806047 /nfs/dbraw/zinc/80/60/47/572806047.db2.gz HVWLLEKCKQILME-LBPRGKRZSA-N 0 0 196.290 2.463 10 30 AEEERN C[C@H](CC#N)C(=O)c1ccco1 49804782 572806070 /nfs/dbraw/zinc/80/60/70/572806070.db2.gz FHHYDCYDGJJWQP-SSDOTTSWSA-N 0 0 163.176 2.012 10 30 AEEERN CC1=CC(=O)C2(CC1)CC2 196691073 572806103 /nfs/dbraw/zinc/80/61/03/572806103.db2.gz NBKBCSZWNPHMJH-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN C=CCCCCCn1ccnc1CO 236519014 572806152 /nfs/dbraw/zinc/80/61/52/572806152.db2.gz DNJZOEQFESFERO-UHFFFAOYSA-N 0 0 194.278 2.122 10 30 AEEERN CN(CCC#N)c1ccccc1F 49800108 572806280 /nfs/dbraw/zinc/80/62/80/572806280.db2.gz YYPHKUJUFKVHQT-UHFFFAOYSA-N 0 0 178.210 2.176 10 30 AEEERN CC(C)C/C=N\[C@@H](CO)C(C)C 307941577 572806323 /nfs/dbraw/zinc/80/63/23/572806323.db2.gz ACFYLLGPCPBPFO-OYUORYAFSA-N 0 0 171.284 2.120 10 30 AEEERN C#CC[C@H]1C[C@H](CC)CC[C@@H]1O 221607250 572806421 /nfs/dbraw/zinc/80/64/21/572806421.db2.gz YRHIGALHBPKNKG-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@H](C#N)CC(=O)c1ccco1 49804783 572806593 /nfs/dbraw/zinc/80/65/93/572806593.db2.gz FPZLXLASCVXKTF-ZETCQYMHSA-N 0 0 163.176 2.012 10 30 AEEERN CC(C)(C)C#CC[C@H](O)C(C)(F)F 306899652 572806615 /nfs/dbraw/zinc/80/66/15/572806615.db2.gz DOWBIRARUDXXDY-QMMMGPOBSA-N 0 0 190.233 2.442 10 30 AEEERN C=C[C@H](O)[C@@]12CC[C@@H]1[C@H]1C=C[C@@H]2C1 306808423 572806765 /nfs/dbraw/zinc/80/67/65/572806765.db2.gz PBGFHNLEUJXQSE-MTVMDMGHSA-N 0 0 176.259 2.136 10 30 AEEERN CC/C=C\C(=O)[C@H](C)CCOC 307940870 572806934 /nfs/dbraw/zinc/80/69/34/572806934.db2.gz XOLRTFAWMMQULE-SSJHQANKSA-N 0 0 170.252 2.194 10 30 AEEERN CCCCN(C)C1(C#N)CCC1 307941930 572807012 /nfs/dbraw/zinc/80/70/12/572807012.db2.gz CXGONBMZOCSEGB-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN C/C=C(/CC)C(=O)C1=CCCO1 307940852 572807243 /nfs/dbraw/zinc/80/72/43/572807243.db2.gz XKMPGYWFAUCVRG-BAQGIRSFSA-N 0 0 166.220 2.216 10 30 AEEERN C=CCCCOC(=O)C=C(C)C 307941659 572807471 /nfs/dbraw/zinc/80/74/71/572807471.db2.gz CLVRQSKUSLBVRR-UHFFFAOYSA-N 0 0 168.236 2.462 10 30 AEEERN N#Cc1c(Cl)n[nH]c1C1CCC1 75085966 572807584 /nfs/dbraw/zinc/80/75/84/572807584.db2.gz JBELOGMXQNVBEE-UHFFFAOYSA-N 0 0 181.626 2.202 10 30 AEEERN O=C1C2=CC=CCC1=CCC=C2 196685115 572807598 /nfs/dbraw/zinc/80/75/98/572807598.db2.gz GCFXHZWELPPCCK-SNVBAGLBSA-N 0 0 158.200 2.184 10 30 AEEERN C[C@H](CC#N)NCC1(F)CCCC1 308137045 572807707 /nfs/dbraw/zinc/80/77/07/572807707.db2.gz GAYKEFAGOWSZHG-SECBINFHSA-N 0 0 184.258 2.160 10 30 AEEERN CC(=O)C(C)=C1SCCS1 196699240 572807752 /nfs/dbraw/zinc/80/77/52/572807752.db2.gz JPRODYBSKRZNEC-UHFFFAOYSA-N 0 0 174.290 2.287 10 30 AEEERN C[C@H](C#N)[C@@H](C)[NH2+][C@H](C)C1(C)CC1 308138183 572807776 /nfs/dbraw/zinc/80/77/76/572807776.db2.gz AAXWSHDMLNGATI-OPRDCNLKSA-N 0 0 180.295 2.313 10 30 AEEERN C=CCc1c(NC)cccc1OC 196696876 572807797 /nfs/dbraw/zinc/80/77/97/572807797.db2.gz RVFGRCXXUJGTMO-UHFFFAOYSA-N 0 0 177.247 2.465 10 30 AEEERN CC(C)c1noc(Cl)c1C#N 75085494 572807814 /nfs/dbraw/zinc/80/78/14/572807814.db2.gz XDWXMPGHIXBNPP-UHFFFAOYSA-N 0 0 170.599 2.323 10 30 AEEERN C[C@@H](CC#N)NCC1(F)CCCC1 308137046 572807905 /nfs/dbraw/zinc/80/79/05/572807905.db2.gz GAYKEFAGOWSZHG-VIFPVBQESA-N 0 0 184.258 2.160 10 30 AEEERN CC(CCC1CC1)N=NC1CC1 307942172 572807954 /nfs/dbraw/zinc/80/79/54/572807954.db2.gz CUNOIYQPJHOLNM-UHFFFAOYSA-N 0 0 166.268 2.305 10 30 AEEERN CCCCC#C[C@@H](O)[Si](C)(C)C 196697703 572808156 /nfs/dbraw/zinc/80/81/56/572808156.db2.gz OHRKSLQATXNDKT-JTQLQIEISA-N 0 0 184.355 2.418 10 30 AEEERN C/C=C\C(=O)c1cnn(CCC)c1 308138118 572808288 /nfs/dbraw/zinc/80/82/88/572808288.db2.gz QBZRFRXOYNKZLI-HYXAFXHYSA-N 0 0 178.235 2.052 10 30 AEEERN C=C(C)C[C@@H]1CSCCC1=O 196698986 572808435 /nfs/dbraw/zinc/80/84/35/572808435.db2.gz BVXWHZWVKJKOEN-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN C[C@H](C#N)[C@H](C)[NH2+][C@@H](C)C1(C)CC1 308138184 572808613 /nfs/dbraw/zinc/80/86/13/572808613.db2.gz AAXWSHDMLNGATI-UTLUCORTSA-N 0 0 180.295 2.313 10 30 AEEERN C=C(C)C[C@H]1CSCCC1=O 196698996 572808719 /nfs/dbraw/zinc/80/87/19/572808719.db2.gz BVXWHZWVKJKOEN-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN C[C@H](C#N)C[C@@H](O)c1cccs1 49805723 572808813 /nfs/dbraw/zinc/80/88/13/572808813.db2.gz UMJDPPQZMRBNLU-JGVFFNPUSA-N 0 0 181.260 2.331 10 30 AEEERN Cc1ccc([C@H](C#N)C=O)c(C)c1 49805096 572809057 /nfs/dbraw/zinc/80/90/57/572809057.db2.gz DGXKCWPTQBHUIP-SNVBAGLBSA-N 0 0 173.215 2.110 10 30 AEEERN C#CCCSCc1cc(C)on1 308137377 572809101 /nfs/dbraw/zinc/80/91/01/572809101.db2.gz FDDYQUPIPIGQBU-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN C=C(CC)COC(=O)C=C(C)C 307942646 572809207 /nfs/dbraw/zinc/80/92/07/572809207.db2.gz DJOSTVMWWKLLSO-UHFFFAOYSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(C)COC(=O)CC1(C)CC1 307942490 572809236 /nfs/dbraw/zinc/80/92/36/572809236.db2.gz DCPPGDVLDQOXOW-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=CCCOC(=O)/C=C/CCC 307942796 572809334 /nfs/dbraw/zinc/80/93/34/572809334.db2.gz DNTKJOGTERMRLI-BQYQJAHWSA-N 0 0 168.236 2.462 10 30 AEEERN Cc1cccc(CC(C#N)C#N)c1 49804990 572809340 /nfs/dbraw/zinc/80/93/40/572809340.db2.gz DGXRWVPEXAWGFF-UHFFFAOYSA-N 0 0 170.215 2.201 10 30 AEEERN Cc1cc(C#N)c(Cl)o1 75085017 572809384 /nfs/dbraw/zinc/80/93/84/572809384.db2.gz HCZBLOZYCZTMBP-UHFFFAOYSA-N 0 0 141.557 2.113 10 30 AEEERN C[C@H](C#N)C[C@H](O)c1cccs1 49805721 572809403 /nfs/dbraw/zinc/80/94/03/572809403.db2.gz UMJDPPQZMRBNLU-YUMQZZPRSA-N 0 0 181.260 2.331 10 30 AEEERN C[C@H](CC#N)[C@@H](O)c1cccs1 49805720 572811173 /nfs/dbraw/zinc/81/11/73/572811173.db2.gz RAAWUJXKKNIUIR-VXNVDRBHSA-N 0 0 181.260 2.331 10 30 AEEERN COc1ccc2cc(C#N)n(C)c2c1 75086396 572809507 /nfs/dbraw/zinc/80/95/07/572809507.db2.gz BSMGPJLYYUIPHO-UHFFFAOYSA-N 0 0 186.214 2.059 10 30 AEEERN C[C@H](C#N)C[C@H](O)c1ccccc1 49805225 572809694 /nfs/dbraw/zinc/80/96/94/572809694.db2.gz DDUBUJSFQOIPIR-ONGXEEELSA-N 0 0 175.231 2.270 10 30 AEEERN C[C@H](C#N)[C@H](C)[NH2+][C@H](C)C1(C)CC1 308138182 572809781 /nfs/dbraw/zinc/80/97/81/572809781.db2.gz AAXWSHDMLNGATI-KXUCPTDWSA-N 0 0 180.295 2.313 10 30 AEEERN CCc1ccc([C@@H](C#N)C=O)cc1 49805093 572809791 /nfs/dbraw/zinc/80/97/91/572809791.db2.gz IMTAAMWJIORCJD-NSHDSACASA-N 0 0 173.215 2.055 10 30 AEEERN COc1cccc2c(C#N)coc12 75085621 572809801 /nfs/dbraw/zinc/80/98/01/572809801.db2.gz JPZRURLRPBZWSX-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN CCc1ccc(N(C)CC#N)cc1 49805180 572809812 /nfs/dbraw/zinc/80/98/12/572809812.db2.gz OMAGRPIHDRXJPZ-UHFFFAOYSA-N 0 0 174.247 2.209 10 30 AEEERN CCC(C)=NOCCOC(C)C 307943206 572809862 /nfs/dbraw/zinc/80/98/62/572809862.db2.gz FHANSAKJDYLNTE-UHFFFAOYSA-N 0 0 173.256 2.214 10 30 AEEERN CCc1ccc(CC(C#N)C#N)cc1 49805914 572809921 /nfs/dbraw/zinc/80/99/21/572809921.db2.gz QLHGQPXPFJMGDR-UHFFFAOYSA-N 0 0 184.242 2.455 10 30 AEEERN C=CCCOC(=O)CCSCC 307942336 572809986 /nfs/dbraw/zinc/80/99/86/572809986.db2.gz ZVVLINYNGVPQDL-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN CC(C)Oc1ccc(O)c(C#N)c1 71455255 572810036 /nfs/dbraw/zinc/81/00/36/572810036.db2.gz VAFLRKDORHUKKN-UHFFFAOYSA-N 0 0 177.203 2.051 10 30 AEEERN C=C[C@H](C)OC(=O)C1(C)CCC1 307942843 572810055 /nfs/dbraw/zinc/81/00/55/572810055.db2.gz DPNWRQKSFLPTHS-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@H](C#N)C[C@@H](O)c1ccccc1 49805227 572810082 /nfs/dbraw/zinc/81/00/82/572810082.db2.gz DDUBUJSFQOIPIR-GXSJLCMTSA-N 0 0 175.231 2.270 10 30 AEEERN C=CCc1ccc(OC)cc1NC 196696864 572810150 /nfs/dbraw/zinc/81/01/50/572810150.db2.gz CYORKIVVOUUZIE-UHFFFAOYSA-N 0 0 177.247 2.465 10 30 AEEERN CC(C)c1[nH]nc(Cl)c1C#N 75085481 572810206 /nfs/dbraw/zinc/81/02/06/572810206.db2.gz OBQCOUPWIMTDEQ-UHFFFAOYSA-N 0 0 169.615 2.058 10 30 AEEERN C#CCON=C(C)Cc1cccs1 308137647 572810462 /nfs/dbraw/zinc/81/04/62/572810462.db2.gz GHAJCIUWYZMHPV-UHFFFAOYSA-N 0 0 193.271 2.316 10 30 AEEERN COc1cc(C#N)cc2c1ccn2C 75086387 572810516 /nfs/dbraw/zinc/81/05/16/572810516.db2.gz BQMPHPXEPOVEHZ-UHFFFAOYSA-N 0 0 186.214 2.059 10 30 AEEERN Cc1cccc(C)c1N(C)CC#N 49805178 572810519 /nfs/dbraw/zinc/81/05/19/572810519.db2.gz CSOSTTFSZYTQJL-UHFFFAOYSA-N 0 0 174.247 2.263 10 30 AEEERN C=CCCOC(=O)/C=C\CCC 307942797 572810530 /nfs/dbraw/zinc/81/05/30/572810530.db2.gz DNTKJOGTERMRLI-FPLPWBNLSA-N 0 0 168.236 2.462 10 30 AEEERN C#CCSCc1ccnn1C(C)C 308137610 572810535 /nfs/dbraw/zinc/81/05/35/572810535.db2.gz GGJHNUUFBCZWQH-UHFFFAOYSA-N 0 0 194.303 2.330 10 30 AEEERN C=CCc1cc(OC)ccc1NC 196696839 572810564 /nfs/dbraw/zinc/81/05/64/572810564.db2.gz VKQRTJFLGOLSJB-UHFFFAOYSA-N 0 0 177.247 2.465 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(C)CCC1 307942842 572810675 /nfs/dbraw/zinc/81/06/75/572810675.db2.gz DPNWRQKSFLPTHS-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN Cc1cc(C)c([C@@H](C#N)C=O)c(C)c1 49806172 572810755 /nfs/dbraw/zinc/81/07/55/572810755.db2.gz KQEZZLOQANKDBC-NSHDSACASA-N 0 0 187.242 2.418 10 30 AEEERN C=C(C)CCOc1ccccn1 307942140 572810776 /nfs/dbraw/zinc/81/07/76/572810776.db2.gz CSXCTDAJWKRTEI-UHFFFAOYSA-N 0 0 163.220 2.427 10 30 AEEERN Cc1cccc(NC(=O)CCC#N)c1 49806249 572810779 /nfs/dbraw/zinc/81/07/79/572810779.db2.gz SXVGROYLVDKXFP-UHFFFAOYSA-N 0 0 188.230 2.237 10 30 AEEERN CCc1ccc([C@H](C#N)C(C)=O)cc1 49806169 572810885 /nfs/dbraw/zinc/81/08/85/572810885.db2.gz OXFSLOYQPMKKFG-GFCCVEGCSA-N 0 0 187.242 2.445 10 30 AEEERN CCc1ccc([C@@H](C#N)C(C)=O)cc1 49806168 572811230 /nfs/dbraw/zinc/81/12/30/572811230.db2.gz OXFSLOYQPMKKFG-LBPRGKRZSA-N 0 0 187.242 2.445 10 30 AEEERN CN(CC#N)c1ccc(Cl)cc1 49805661 572811010 /nfs/dbraw/zinc/81/10/10/572811010.db2.gz PJAVHRXOJDOMDQ-UHFFFAOYSA-N 0 0 180.638 2.300 10 30 AEEERN CN(CC#N)c1cccc(Cl)c1 49805660 572811021 /nfs/dbraw/zinc/81/10/21/572811021.db2.gz ZQKINUAPTSUTKF-UHFFFAOYSA-N 0 0 180.638 2.300 10 30 AEEERN Cc1ccc(C)c([C@H](C#N)C=O)c1 49805094 572811128 /nfs/dbraw/zinc/81/11/28/572811128.db2.gz BMIVAYKENPAXLG-SNVBAGLBSA-N 0 0 173.215 2.110 10 30 AEEERN C=C[C@@H](C)OC(=O)/C(=C/C)CC 307944765 572811663 /nfs/dbraw/zinc/81/16/63/572811663.db2.gz HJCPEXZQFVDGJJ-GTUWVTDSSA-N 0 0 168.236 2.460 10 30 AEEERN N#Cc1c(C(F)(F)F)noc1Cl 75087255 572811447 /nfs/dbraw/zinc/81/14/47/572811447.db2.gz YKRFUVAQWVEZGK-UHFFFAOYSA-N 0 0 196.515 2.218 10 30 AEEERN C[C@H](C#N)CC(=O)Nc1ccccc1 49806254 572811578 /nfs/dbraw/zinc/81/15/78/572811578.db2.gz WLOZKAQGNYNJBU-VIFPVBQESA-N 0 0 188.230 2.175 10 30 AEEERN C=CCCC(CC)=NNC1CC1 307944367 572811525 /nfs/dbraw/zinc/81/15/25/572811525.db2.gz GUVOVFLDXGYRRL-UHFFFAOYSA-N 0 0 166.268 2.471 10 30 AEEERN CCC1CCC(O)(CCC=O)CC1 308139384 572811541 /nfs/dbraw/zinc/81/15/41/572811541.db2.gz KFRLUJRWLSGBDL-UHFFFAOYSA-N 0 0 184.279 2.297 10 30 AEEERN C[C@H](CC#N)[C@H](O)c1cccs1 49805718 572811550 /nfs/dbraw/zinc/81/15/50/572811550.db2.gz RAAWUJXKKNIUIR-APPZFPTMSA-N 0 0 181.260 2.331 10 30 AEEERN CC(=O)C=C(C)NCc1cccs1 308133744 572812275 /nfs/dbraw/zinc/81/22/75/572812275.db2.gz CWJOAIZAFGCNTA-SOFGYWHQSA-N 0 0 195.287 2.331 10 30 AEEERN Cc1cc2c(cc1C#N)N[C@@H](C)C2 713760106 572811679 /nfs/dbraw/zinc/81/16/79/572811679.db2.gz JUWSJKTZTKBGRC-QMMMGPOBSA-N 0 0 172.231 2.223 10 30 AEEERN C[C@H]1C[C@@H]1C=NN1CCCCC1 307945252 572811697 /nfs/dbraw/zinc/81/16/97/572811697.db2.gz ICWYGJQXITVFRU-VHSXEESVSA-N 0 0 166.268 2.114 10 30 AEEERN CCC(CC)=NN[C@H](C)CC#N 307944432 572811736 /nfs/dbraw/zinc/81/17/36/572811736.db2.gz GZPDSVQMGKAFNZ-MRVPVSSYSA-N 0 0 167.256 2.054 10 30 AEEERN CC(C)CON=C1CCO[C@H](C)C1 308133726 572811852 /nfs/dbraw/zinc/81/18/52/572811852.db2.gz CUGGSJRHOMQLED-SECBINFHSA-N 0 0 185.267 2.214 10 30 AEEERN CCC(COC)=NOC(C)(C)C 307944181 572811920 /nfs/dbraw/zinc/81/19/20/572811920.db2.gz GPBRMZQRTBMOHN-UHFFFAOYSA-N 0 0 173.256 2.214 10 30 AEEERN C[C@H]1[C@@H]2CC[C@@H](C2)[C@]1(C)C#CC=O 306803015 572811969 /nfs/dbraw/zinc/81/19/69/572811969.db2.gz VBZGANVHVQEPBZ-WHOHXGKFSA-N 0 0 176.259 2.261 10 30 AEEERN C=C[C@H](C)CN(C)CC(F)(F)F 307944782 572813310 /nfs/dbraw/zinc/81/33/10/572813310.db2.gz HKRXDFUAYZVYTB-ZETCQYMHSA-N 0 0 181.201 2.303 10 30 AEEERN C=CCOC(=O)/C(C)=C(\C)CC 307944429 572812032 /nfs/dbraw/zinc/81/20/32/572812032.db2.gz GZDUONDKUCKBED-CMDGGOBGSA-N 0 0 168.236 2.462 10 30 AEEERN C[C@H]1C[C@H]1C=NN1CCCCC1 307945251 572812078 /nfs/dbraw/zinc/81/20/78/572812078.db2.gz ICWYGJQXITVFRU-UWVGGRQHSA-N 0 0 166.268 2.114 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)CC1CC1 307943999 572812128 /nfs/dbraw/zinc/81/21/28/572812128.db2.gz GISCIONKWYIPKM-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C#Cc1ccc(-c2ccc(C)cc2)nn1 238556525 572812244 /nfs/dbraw/zinc/81/22/44/572812244.db2.gz IPJHPIBEKNFPRN-UHFFFAOYSA-N 0 0 194.237 2.433 10 30 AEEERN C[C@H](CC#N)[C@H](O)c1ccccc1F 49807012 572812301 /nfs/dbraw/zinc/81/23/01/572812301.db2.gz LIGNTBXENBJZJG-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN Cn1nc(C2CCC2)c(C#N)c1Cl 75087120 572812380 /nfs/dbraw/zinc/81/23/80/572812380.db2.gz AGSAFCIHJFNAEP-UHFFFAOYSA-N 0 0 195.653 2.213 10 30 AEEERN C=C[C@@H](C)OC(=O)/C(=C\C)CC 307944767 572812557 /nfs/dbraw/zinc/81/25/57/572812557.db2.gz HJCPEXZQFVDGJJ-WSQKDGNHSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@@H](C)CN(C)CC(F)(F)F 307944781 572812593 /nfs/dbraw/zinc/81/25/93/572812593.db2.gz HKRXDFUAYZVYTB-SSDOTTSWSA-N 0 0 181.201 2.303 10 30 AEEERN C[C@H](CC#N)[C@H](O)c1ccc(F)cc1 49807020 572812820 /nfs/dbraw/zinc/81/28/20/572812820.db2.gz PUOCLXFQJYPGRL-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN CCCCSc1ccnc(C#N)n1 308139244 572812830 /nfs/dbraw/zinc/81/28/30/572812830.db2.gz RBVHVVDSZBHDPV-UHFFFAOYSA-N 0 0 193.275 2.240 10 30 AEEERN C[C@@H]1C[C@H]1C=NN1CCCCC1 307945253 572812864 /nfs/dbraw/zinc/81/28/64/572812864.db2.gz ICWYGJQXITVFRU-ZJUUUORDSA-N 0 0 166.268 2.114 10 30 AEEERN COc1ccc2c(c1)cc(C#N)n2C 75086398 572812876 /nfs/dbraw/zinc/81/28/76/572812876.db2.gz HLZGJZAYVXUBDM-UHFFFAOYSA-N 0 0 186.214 2.059 10 30 AEEERN CN(CCC#N)c1ccc(F)cc1F 49811585 572812928 /nfs/dbraw/zinc/81/29/28/572812928.db2.gz WYOAWGMAMBQNLI-UHFFFAOYSA-N 0 0 196.200 2.315 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CC1CC1 307944000 572812957 /nfs/dbraw/zinc/81/29/57/572812957.db2.gz GISCIONKWYIPKM-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN CC(C)CON=C1CCO[C@@H](C)C1 308133727 572812977 /nfs/dbraw/zinc/81/29/77/572812977.db2.gz CUGGSJRHOMQLED-VIFPVBQESA-N 0 0 185.267 2.214 10 30 AEEERN C[C@@H]1C[C@@H]1C=NN1CCCCC1 307945250 572813372 /nfs/dbraw/zinc/81/33/72/572813372.db2.gz ICWYGJQXITVFRU-NXEZZACHSA-N 0 0 166.268 2.114 10 30 AEEERN C=CCOC(=O)/C(C)=C(/C)CC 307944430 572813167 /nfs/dbraw/zinc/81/31/67/572813167.db2.gz GZDUONDKUCKBED-HJWRWDBZSA-N 0 0 168.236 2.462 10 30 AEEERN C[C@H](C#N)CN(C)c1ccc(F)cc1 49806869 572813169 /nfs/dbraw/zinc/81/31/69/572813169.db2.gz MBVJPEVYLDNLGH-SECBINFHSA-N 0 0 192.237 2.422 10 30 AEEERN CC1(CC[NH2+]CCC#N)CCCC1 308139206 572813568 /nfs/dbraw/zinc/81/35/68/572813568.db2.gz QWHJZJHSCOMFON-UHFFFAOYSA-N 0 0 180.295 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)/C(=C\C)CC 307944766 572813572 /nfs/dbraw/zinc/81/35/72/572813572.db2.gz HJCPEXZQFVDGJJ-HWPCKVLBSA-N 0 0 168.236 2.460 10 30 AEEERN C[C@H](C#N)CN(C)c1ccccc1F 49806865 572813612 /nfs/dbraw/zinc/81/36/12/572813612.db2.gz QVXLNHMMVSFQQS-SECBINFHSA-N 0 0 192.237 2.422 10 30 AEEERN C[C@H](CC#N)[C@@H](O)c1ccc(F)cc1 49807022 572813747 /nfs/dbraw/zinc/81/37/47/572813747.db2.gz PUOCLXFQJYPGRL-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C#N)cc1F 235261149 572813778 /nfs/dbraw/zinc/81/37/78/572813778.db2.gz UABPKXXBSMARDS-MRVPVSSYSA-N 0 0 189.189 2.098 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)OCC1CC1 308139063 572813919 /nfs/dbraw/zinc/81/39/19/572813919.db2.gz HESHZVXKGYJBRK-DTWKUNHWSA-N 0 0 182.263 2.398 10 30 AEEERN CCC(CC)=NN[C@@H](C)CC#N 307944433 572813991 /nfs/dbraw/zinc/81/39/91/572813991.db2.gz GZPDSVQMGKAFNZ-QMMMGPOBSA-N 0 0 167.256 2.054 10 30 AEEERN ON=CCCCc1ccccc1 307944051 572814122 /nfs/dbraw/zinc/81/41/22/572814122.db2.gz UZFYCNRBFZQUGT-UHFFFAOYSA-N 0 0 163.220 2.469 10 30 AEEERN C[C@H](C#N)CN(C)c1cccc(F)c1 49806873 572814137 /nfs/dbraw/zinc/81/41/37/572814137.db2.gz SHAOATKYKFCNKV-SECBINFHSA-N 0 0 192.237 2.422 10 30 AEEERN C=CCCOC(=O)[C@@H](C)C(F)(F)F 308134822 572814359 /nfs/dbraw/zinc/81/43/59/572814359.db2.gz DNBZHVHISZFOFV-ZCFIWIBFSA-N 0 0 196.168 2.304 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C=C(C)C 307945493 572814610 /nfs/dbraw/zinc/81/46/10/572814610.db2.gz IOSGYJUIMSGZAE-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@@H](C)OC(=O)CSCCC 307946058 572814622 /nfs/dbraw/zinc/81/46/22/572814622.db2.gz JELHIUYOZMUPMR-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H]1CC1(C)C 307945457 572814630 /nfs/dbraw/zinc/81/46/30/572814630.db2.gz ILEWHAUGHJBPDH-SFYZADRCSA-N 0 0 168.236 2.150 10 30 AEEERN C=CCCCC[C@@H](C)NC(C)=O 307945452 572814666 /nfs/dbraw/zinc/81/46/66/572814666.db2.gz IKOUBEZLXZYYKP-SECBINFHSA-N 0 0 169.268 2.257 10 30 AEEERN C=C[C@H](C)OC(=O)C1CC(C)C1 307946196 572814831 /nfs/dbraw/zinc/81/48/31/572814831.db2.gz JLMONOJQMYPBQR-MGURRDGZSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H]1CC1(C)C 307945455 572814950 /nfs/dbraw/zinc/81/49/50/572814950.db2.gz ILEWHAUGHJBPDH-HTQZYQBOSA-N 0 0 168.236 2.150 10 30 AEEERN C#C[C@H](/C=C\C)[C@H](O)C(C)(C)C 308134159 572814968 /nfs/dbraw/zinc/81/49/68/572814968.db2.gz ZEMYXGFEJWJTHO-VCNAMUQVSA-N 0 0 166.264 2.219 10 30 AEEERN C=C(C)CN=NC1CCC[C@@H]1C 307945869 572814981 /nfs/dbraw/zinc/81/49/81/572814981.db2.gz IXZKHHGINXEYJB-VIFPVBQESA-N 0 0 166.268 2.328 10 30 AEEERN C[C@@H](CC#N)NN=CC1(C)CCC1 308134868 572814990 /nfs/dbraw/zinc/81/49/90/572814990.db2.gz DPVDBCGONWUHEJ-VIFPVBQESA-N 0 0 179.267 2.054 10 30 AEEERN C[C@H](C#N)C[C@H](O)c1ccccc1F 49807015 572815027 /nfs/dbraw/zinc/81/50/27/572815027.db2.gz FSMVICFETGKESZ-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN C#CC[C@@H](C)OC(=O)CCC1CC1 308134802 572815102 /nfs/dbraw/zinc/81/51/02/572815102.db2.gz DMDYPIMSHWOWFA-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C=C[C@@H](C)OC(=O)C1CC(C)C1 307946199 572815125 /nfs/dbraw/zinc/81/51/25/572815125.db2.gz JLMONOJQMYPBQR-QJAFJHJLSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@H](C)OC(=O)C1=CCCC1 307946377 572815157 /nfs/dbraw/zinc/81/51/57/572815157.db2.gz JQXCKBHIMKDFOQ-MRVPVSSYSA-N 0 0 166.220 2.214 10 30 AEEERN CC(C)CC(N)=NOCCC1CC1 308134170 572815297 /nfs/dbraw/zinc/81/52/97/572815297.db2.gz DBYJRFPIJHKFDP-UHFFFAOYSA-N 0 0 184.283 2.121 10 30 AEEERN C#CCOC(=O)C[C@H](C)C(C)(C)C 308134408 572815305 /nfs/dbraw/zinc/81/53/05/572815305.db2.gz DGCJYPOAWIJEJJ-VIFPVBQESA-N 0 0 182.263 2.235 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@@H](C)C(C)C 308134234 572815364 /nfs/dbraw/zinc/81/53/64/572815364.db2.gz DDUJFFJIHFQSKO-UWVGGRQHSA-N 0 0 182.263 2.234 10 30 AEEERN C#CC[C@]12C[C@H]1CC(C)(C)C[C@H]2O 306871781 572815388 /nfs/dbraw/zinc/81/53/88/572815388.db2.gz YGMXFBDGUFHZFE-FOGDFJRCSA-N 0 0 178.275 2.197 10 30 AEEERN C#CCON=C1CCC[C@H]1C(C)C 308134417 572815474 /nfs/dbraw/zinc/81/54/74/572815474.db2.gz DGXDWUAYQAOJDA-JTQLQIEISA-N 0 0 179.263 2.448 10 30 AEEERN C[C@H](CC#N)NN=CC1(C)CCC1 308134866 572815522 /nfs/dbraw/zinc/81/55/22/572815522.db2.gz DPVDBCGONWUHEJ-SECBINFHSA-N 0 0 179.267 2.054 10 30 AEEERN CC(C)[C@H](C)C(=O)OC(C)(C)C#N 308134058 572815582 /nfs/dbraw/zinc/81/55/82/572815582.db2.gz CYSYCFLUDIJEOE-QMMMGPOBSA-N 0 0 183.251 2.124 10 30 AEEERN C[C@H](CC(=O)CC#N)C(F)(F)F 308134014 572815711 /nfs/dbraw/zinc/81/57/11/572815711.db2.gz ZAKCUXIMFDBGFL-RXMQYKEDSA-N 0 0 179.141 2.058 10 30 AEEERN C=CCOC(=O)[C@]1(C)CCCS1 307946882 572815888 /nfs/dbraw/zinc/81/58/88/572815888.db2.gz KGLFGZQAAUQNTG-VIFPVBQESA-N 0 0 186.276 2.001 10 30 AEEERN CC(C)[C@@H](C)C(=O)OC(C)(C)C#N 308134057 572815896 /nfs/dbraw/zinc/81/58/96/572815896.db2.gz CYSYCFLUDIJEOE-MRVPVSSYSA-N 0 0 183.251 2.124 10 30 AEEERN C=CCCCC[C@H](C)NC(C)=O 307945453 572815962 /nfs/dbraw/zinc/81/59/62/572815962.db2.gz IKOUBEZLXZYYKP-VIFPVBQESA-N 0 0 169.268 2.257 10 30 AEEERN C#CC[C@H](C)OC(=O)CCC1CC1 308134803 572815985 /nfs/dbraw/zinc/81/59/85/572815985.db2.gz DMDYPIMSHWOWFA-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C=CCCOC(=O)[C@H](C)C(F)(F)F 308134821 572816031 /nfs/dbraw/zinc/81/60/31/572816031.db2.gz DNBZHVHISZFOFV-LURJTMIESA-N 0 0 196.168 2.304 10 30 AEEERN C=CCCCn1ccnc1C(C)=O 308134475 572816120 /nfs/dbraw/zinc/81/61/20/572816120.db2.gz DKBCZJKVVQPYBQ-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN C[C@@H](CC(=O)CC#N)C(F)(F)F 308134015 572816128 /nfs/dbraw/zinc/81/61/28/572816128.db2.gz ZAKCUXIMFDBGFL-YFKPBYRVSA-N 0 0 179.141 2.058 10 30 AEEERN C=CCOC(=O)[C@@]1(C)CCCS1 307946880 572816314 /nfs/dbraw/zinc/81/63/14/572816314.db2.gz KGLFGZQAAUQNTG-SECBINFHSA-N 0 0 186.276 2.001 10 30 AEEERN C=C(C)CN(C)c1ccc(N)cc1 306840940 572816445 /nfs/dbraw/zinc/81/64/45/572816445.db2.gz FBCWZWHNWYTOKI-UHFFFAOYSA-N 0 0 176.263 2.281 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@@H](C)C(C)C 308134237 572816461 /nfs/dbraw/zinc/81/64/61/572816461.db2.gz DDUJFFJIHFQSKO-ZJUUUORDSA-N 0 0 182.263 2.234 10 30 AEEERN C=C[C@H](C)OC(=O)CSCCC 307946060 572816586 /nfs/dbraw/zinc/81/65/86/572816586.db2.gz JELHIUYOZMUPMR-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C#CCOC(=O)C[C@@H](C)C(C)(C)C 308134407 572817097 /nfs/dbraw/zinc/81/70/97/572817097.db2.gz DGCJYPOAWIJEJJ-SECBINFHSA-N 0 0 182.263 2.235 10 30 AEEERN Cc1ccoc1C=Nn1cccc1 393548488 572816802 /nfs/dbraw/zinc/81/68/02/572816802.db2.gz RGVBTTLXQZSZLC-UHFFFAOYSA-N 0 0 174.203 2.272 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@H](C)C(C)C 308134235 572816839 /nfs/dbraw/zinc/81/68/39/572816839.db2.gz DDUJFFJIHFQSKO-VHSXEESVSA-N 0 0 182.263 2.234 10 30 AEEERN C#CCON=C1CCC[C@@H]1C(C)C 308134418 572816892 /nfs/dbraw/zinc/81/68/92/572816892.db2.gz DGXDWUAYQAOJDA-SNVBAGLBSA-N 0 0 179.263 2.448 10 30 AEEERN C#C[C@H](/C=C\C)[C@@H](O)C(C)(C)C 308134180 572816896 /nfs/dbraw/zinc/81/68/96/572816896.db2.gz ZEMYXGFEJWJTHO-WMDQRADGSA-N 0 0 166.264 2.219 10 30 AEEERN CC(C)(C#N)CCON=C1CCC1 308134805 572817034 /nfs/dbraw/zinc/81/70/34/572817034.db2.gz DMHIUIYSSMUNAM-UHFFFAOYSA-N 0 0 180.251 2.483 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@H](C)C(C)C 308134232 572817047 /nfs/dbraw/zinc/81/70/47/572817047.db2.gz DDUJFFJIHFQSKO-NXEZZACHSA-N 0 0 182.263 2.234 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CC1(C)C 307945458 572817140 /nfs/dbraw/zinc/81/71/40/572817140.db2.gz ILEWHAUGHJBPDH-YUMQZZPRSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CC1(C)C 307945456 572817203 /nfs/dbraw/zinc/81/72/03/572817203.db2.gz ILEWHAUGHJBPDH-JGVFFNPUSA-N 0 0 168.236 2.150 10 30 AEEERN CC[C@](C)(O)C#Cc1cocc1C 306837390 572817218 /nfs/dbraw/zinc/81/72/18/572817218.db2.gz VJGLPVICGGORFF-NSHDSACASA-N 0 0 178.231 2.101 10 30 AEEERN C=C1CCC(=C)N=N1 306815770 572817297 /nfs/dbraw/zinc/81/72/97/572817297.db2.gz BUMXPDIKQJDUDC-UHFFFAOYSA-N 0 0 108.144 2.260 10 30 AEEERN C[C@H](C[C@@H](N)C#N)c1ccccc1 49832808 572817299 /nfs/dbraw/zinc/81/72/99/572817299.db2.gz FVENYTQRRJGVHV-MWLCHTKSSA-N 0 0 174.247 2.031 10 30 AEEERN C[C@H](C[C@H](N)C#N)c1ccccc1 49832805 572817328 /nfs/dbraw/zinc/81/73/28/572817328.db2.gz FVENYTQRRJGVHV-KOLCDFICSA-N 0 0 174.247 2.031 10 30 AEEERN C=C1[C@@H](O)CC[C@]2(C)C(=O)CC[C@@]12C 306863986 572817406 /nfs/dbraw/zinc/81/74/06/572817406.db2.gz JPAQKAUILPUXDD-ZMLRMANQSA-N 0 0 194.274 2.073 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C=C(C)C 307945492 572817471 /nfs/dbraw/zinc/81/74/71/572817471.db2.gz IOSGYJUIMSGZAE-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=C(C)CNN=C1CCC[C@H]1C 307945868 572817493 /nfs/dbraw/zinc/81/74/93/572817493.db2.gz IXZKHHGINXEYJB-SECBINFHSA-N 0 0 166.268 2.328 10 30 AEEERN C=CC[C@@H](C)C[C@@H](C)C=O 196944538 572817511 /nfs/dbraw/zinc/81/75/11/572817511.db2.gz YJNFRFJGSBNUID-RKDXNWHRSA-N 0 0 140.226 2.424 10 30 AEEERN C=CC[C@@H](C)C[C@H](C)C=O 196944555 572817547 /nfs/dbraw/zinc/81/75/47/572817547.db2.gz YJNFRFJGSBNUID-BDAKNGLRSA-N 0 0 140.226 2.424 10 30 AEEERN CC(C)C[C@@H](C)C(=O)O[C@@H](C)C#N 308135051 572817689 /nfs/dbraw/zinc/81/76/89/572817689.db2.gz DSVVQXLRLNGZLB-BDAKNGLRSA-N 0 0 183.251 2.124 10 30 AEEERN C=CCN(C(=O)CC(C)C)C(C)C 308135766 572817568 /nfs/dbraw/zinc/81/75/68/572817568.db2.gz FEPSKFPXCNALQM-UHFFFAOYSA-N 0 0 183.295 2.456 10 30 AEEERN CC(=NOC(C)(C)C)[C@@H]1CCCO1 308135695 572817744 /nfs/dbraw/zinc/81/77/44/572817744.db2.gz FCUCOYPRZOKHGR-VIFPVBQESA-N 0 0 185.267 2.356 10 30 AEEERN C[C@@H]1CC[C@H](C=NNC2CC2)C1 307947074 572817766 /nfs/dbraw/zinc/81/77/66/572817766.db2.gz KRBRXYBTOFRJCB-BDAKNGLRSA-N 0 0 166.268 2.160 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@]1(C#N)NC1CC1 235267536 572817831 /nfs/dbraw/zinc/81/78/31/572817831.db2.gz AHUFSGUXQDXLPK-BXKDBHETSA-N 0 0 192.306 2.457 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C(C)=O)cc1 235262571 572817863 /nfs/dbraw/zinc/81/78/63/572817863.db2.gz UNLAOGOTHQTUEO-SECBINFHSA-N 0 0 188.226 2.290 10 30 AEEERN CC(C)C(=O)C=C1CCC1 196941916 572817873 /nfs/dbraw/zinc/81/78/73/572817873.db2.gz KPDUPYSQJBPWFX-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C)cc1C=O 235266503 572817877 /nfs/dbraw/zinc/81/78/77/572817877.db2.gz WILLCDNJAPBHBR-SNVBAGLBSA-N 0 0 188.226 2.208 10 30 AEEERN C[C@H]1CC[C@H](C=NNC2CC2)C1 307947076 572817883 /nfs/dbraw/zinc/81/78/83/572817883.db2.gz KRBRXYBTOFRJCB-IUCAKERBSA-N 0 0 166.268 2.160 10 30 AEEERN C[C@@H]1CC[C@@H](C=NNC2CC2)C1 307947077 572817969 /nfs/dbraw/zinc/81/79/69/572817969.db2.gz KRBRXYBTOFRJCB-RKDXNWHRSA-N 0 0 166.268 2.160 10 30 AEEERN O=CC[C@H](c1ccc[nH]1)C(F)(F)F 238558676 572818032 /nfs/dbraw/zinc/81/80/32/572818032.db2.gz LTQFWVFZCOJHPR-ZCFIWIBFSA-N 0 0 191.152 2.250 10 30 AEEERN CC(C)C[C@H](C)C(=O)O[C@@H](C)C#N 308135055 572818145 /nfs/dbraw/zinc/81/81/45/572818145.db2.gz DSVVQXLRLNGZLB-IUCAKERBSA-N 0 0 183.251 2.124 10 30 AEEERN C#CCC[C@@H](O)C1(CCC)CC1 308135694 572818199 /nfs/dbraw/zinc/81/81/99/572818199.db2.gz ZRDOATVZCSZJQS-SNVBAGLBSA-N 0 0 166.264 2.341 10 30 AEEERN C[C@H](C=NN)C1CCCCC1 393561993 572818216 /nfs/dbraw/zinc/81/82/16/572818216.db2.gz PATNBKGGOSFGJO-MRVPVSSYSA-N 0 0 154.257 2.147 10 30 AEEERN C#CCC[C@H](O)C1(CCC)CC1 308135686 572818219 /nfs/dbraw/zinc/81/82/19/572818219.db2.gz ZRDOATVZCSZJQS-JTQLQIEISA-N 0 0 166.264 2.341 10 30 AEEERN C=C(C(=O)[C@@H](C)OCC)C(F)(F)F 308135304 572818252 /nfs/dbraw/zinc/81/82/52/572818252.db2.gz HVDFVZFNGDRSLO-ZCFIWIBFSA-N 0 0 196.168 2.099 10 30 AEEERN CC(C)C[C@H](C)C(=O)O[C@H](C)C#N 308135053 572818418 /nfs/dbraw/zinc/81/84/18/572818418.db2.gz DSVVQXLRLNGZLB-DTWKUNHWSA-N 0 0 183.251 2.124 10 30 AEEERN C=C1[C@H]2[C@H]3C(C)=C[C@]1(C)C(=O)[C@]32C 306960191 572818361 /nfs/dbraw/zinc/81/83/61/572818361.db2.gz YSELMFZNYHBEHU-LLHIFLOGSA-N 0 0 174.243 2.344 10 30 AEEERN C=C[C@@H](C)[C@H](C)CC(C)=O 196949294 572818435 /nfs/dbraw/zinc/81/84/35/572818435.db2.gz NWUBTHJEVLHMKN-HTQZYQBOSA-N 0 0 140.226 2.424 10 30 AEEERN COCC(=O)C1=CCCCCCC1 234600721 572818688 /nfs/dbraw/zinc/81/86/88/572818688.db2.gz GILUXFQIKJOEJP-UHFFFAOYSA-N 0 0 182.263 2.483 10 30 AEEERN CC(=NOC(C)(C)C)[C@H]1CCCO1 308135692 572818905 /nfs/dbraw/zinc/81/89/05/572818905.db2.gz FCUCOYPRZOKHGR-SECBINFHSA-N 0 0 185.267 2.356 10 30 AEEERN C=C[C@H](C)[C@H](C)CC(C)=O 196949276 572819076 /nfs/dbraw/zinc/81/90/76/572819076.db2.gz NWUBTHJEVLHMKN-JGVFFNPUSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@@H](C=NN)C1CCCCC1 393561994 572819163 /nfs/dbraw/zinc/81/91/63/572819163.db2.gz PATNBKGGOSFGJO-QMMMGPOBSA-N 0 0 154.257 2.147 10 30 AEEERN C[C@H]1CC[C@@H](C=NNC2CC2)C1 307947075 572819216 /nfs/dbraw/zinc/81/92/16/572819216.db2.gz KRBRXYBTOFRJCB-DTWKUNHWSA-N 0 0 166.268 2.160 10 30 AEEERN C=C(C(=O)[C@H](C)OCC)C(F)(F)F 308135303 572819404 /nfs/dbraw/zinc/81/94/04/572819404.db2.gz HVDFVZFNGDRSLO-LURJTMIESA-N 0 0 196.168 2.099 10 30 AEEERN C=C[C@@H]1CCC(=O)[C@H](C)[C@H]1C 306979644 572819605 /nfs/dbraw/zinc/81/96/05/572819605.db2.gz PAYCZAZWHVRQAL-IWSPIJDZSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H]1C(=O)C=CN1C1CCCCC1 196953549 572820626 /nfs/dbraw/zinc/82/06/26/572820626.db2.gz UTAOFDGYGZXUSF-VIFPVBQESA-N 0 0 179.263 2.106 10 30 AEEERN C=C[C@@H](C)[C@@H](C)CC(C)=O 196949286 572819797 /nfs/dbraw/zinc/81/97/97/572819797.db2.gz NWUBTHJEVLHMKN-SFYZADRCSA-N 0 0 140.226 2.424 10 30 AEEERN C#CCC1(C(=O)OC(C)C)CCC1 308135821 572819943 /nfs/dbraw/zinc/81/99/43/572819943.db2.gz FFWWAYRLTSJQBG-UHFFFAOYSA-N 0 0 180.247 2.132 10 30 AEEERN CON=C/C=C/c1ccccc1 307947801 572819944 /nfs/dbraw/zinc/81/99/44/572819944.db2.gz AABNJTFQOGSDKY-VPYGFJHASA-N 0 0 161.204 2.332 10 30 AEEERN C=C[C@H](C)[C@@H](C)CC(C)=O 196949264 572819965 /nfs/dbraw/zinc/81/99/65/572819965.db2.gz NWUBTHJEVLHMKN-YUMQZZPRSA-N 0 0 140.226 2.424 10 30 AEEERN C=C[C@]12CC[C@H](C[C@H]1O)C2(C)C 306811414 572820394 /nfs/dbraw/zinc/82/03/94/572820394.db2.gz WTGFTODWWSLLKN-KKZNHRDASA-N 0 0 166.264 2.360 10 30 AEEERN CC(C)(C#N)CCCNn1cccc1 85830435 572820005 /nfs/dbraw/zinc/82/00/05/572820005.db2.gz SKDBEPATNLHDMC-UHFFFAOYSA-N 0 0 191.278 2.362 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C)cc1C#N 235265861 572820032 /nfs/dbraw/zinc/82/00/32/572820032.db2.gz CVKINSXIYYFEMI-SNVBAGLBSA-N 0 0 185.226 2.267 10 30 AEEERN C/C=C\Cc1cccc(C#N)c1O 118171730 572820122 /nfs/dbraw/zinc/82/01/22/572820122.db2.gz IWTLFTBNBBQANI-IHWYPQMZSA-N 0 0 173.215 2.382 10 30 AEEERN C=C(COC)[C@]1(O)CCCC1(C)C 306964814 572820130 /nfs/dbraw/zinc/82/01/30/572820130.db2.gz DRPJYWFAZFJGEZ-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN C=CCCn1cccc1[C@@H](C)O 85833173 572820148 /nfs/dbraw/zinc/82/01/48/572820148.db2.gz RXCJUGISBJQPDL-SECBINFHSA-N 0 0 165.236 2.118 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C=O)c(C)c1 235267280 572820156 /nfs/dbraw/zinc/82/01/56/572820156.db2.gz QQLULHVYZDFNMJ-SNVBAGLBSA-N 0 0 188.226 2.208 10 30 AEEERN CON=C/C=C\c1ccccc1 307947800 572820204 /nfs/dbraw/zinc/82/02/04/572820204.db2.gz AABNJTFQOGSDKY-SHGLIHORSA-N 0 0 161.204 2.332 10 30 AEEERN CC(=O)c1cccn1CCCCC#N 85832682 572820206 /nfs/dbraw/zinc/82/02/06/572820206.db2.gz KEZWDCDHKOATPL-UHFFFAOYSA-N 0 0 190.246 2.385 10 30 AEEERN C=CCCn1cccc1C(C)=O 85832547 572820235 /nfs/dbraw/zinc/82/02/35/572820235.db2.gz HYCVHGWCGZSUDK-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN CC[C@H](CC#N)Nn1c(C)ccc1C 85831092 572820333 /nfs/dbraw/zinc/82/03/33/572820333.db2.gz FZKYPDQCJIKASZ-LLVKDONJSA-N 0 0 191.278 2.341 10 30 AEEERN C=C[C@@H](CCO)[Si](C)(C)C 196953717 572820501 /nfs/dbraw/zinc/82/05/01/572820501.db2.gz JUIREQCAMSVXJW-QMMMGPOBSA-N 0 0 158.317 2.263 10 30 AEEERN C[C@@H]1C(=O)C=CN1C1CCCCC1 196953539 572820514 /nfs/dbraw/zinc/82/05/14/572820514.db2.gz UTAOFDGYGZXUSF-SECBINFHSA-N 0 0 179.263 2.106 10 30 AEEERN C#CCSc1ccsc1 306919756 572820522 /nfs/dbraw/zinc/82/05/22/572820522.db2.gz KSEQVLQVCGDFMG-UHFFFAOYSA-N 0 0 154.259 2.473 10 30 AEEERN C[C@@H](O)c1cccn1CCCCC#N 85833267 572820537 /nfs/dbraw/zinc/82/05/37/572820537.db2.gz BGTALEBXYDHPPY-SNVBAGLBSA-N 0 0 192.262 2.235 10 30 AEEERN C=C[C@H](CCO)[Si](C)(C)C 196953701 572820659 /nfs/dbraw/zinc/82/06/59/572820659.db2.gz JUIREQCAMSVXJW-MRVPVSSYSA-N 0 0 158.317 2.263 10 30 AEEERN C=C[C@H](C)Sc1cccnn1 306980147 572820731 /nfs/dbraw/zinc/82/07/31/572820731.db2.gz FJQBUVGQDZXUII-ZETCQYMHSA-N 0 0 166.249 2.143 10 30 AEEERN COCOc1c(C)cc(C#N)cc1C 83843295 572820760 /nfs/dbraw/zinc/82/07/60/572820760.db2.gz TXKBYODKSTVHBJ-UHFFFAOYSA-N 0 0 191.230 2.158 10 30 AEEERN C[C@H](O)c1cccn1CCCCC#N 85833264 572820767 /nfs/dbraw/zinc/82/07/67/572820767.db2.gz BGTALEBXYDHPPY-JTQLQIEISA-N 0 0 192.262 2.235 10 30 AEEERN C(#Cc1ccccc1)CNn1cccc1 85830427 572821047 /nfs/dbraw/zinc/82/10/47/572821047.db2.gz UACCZMDNVUTYLK-UHFFFAOYSA-N 0 0 196.253 2.083 10 30 AEEERN C[C@@H]1CCCC[C@H]1OCC[C@H]1CO1 308140715 572821079 /nfs/dbraw/zinc/82/10/79/572821079.db2.gz SNOSWAHHRBMSHV-OUAUKWLOSA-N 0 0 184.279 2.371 10 30 AEEERN C=CCCn1cccc1[C@H](C)O 85833171 572821373 /nfs/dbraw/zinc/82/13/73/572821373.db2.gz RXCJUGISBJQPDL-VIFPVBQESA-N 0 0 165.236 2.118 10 30 AEEERN Cc1ccc(C)n1NCCCCC#N 85830999 572821467 /nfs/dbraw/zinc/82/14/67/572821467.db2.gz QUKBDLPVCYKBQZ-UHFFFAOYSA-N 0 0 191.278 2.342 10 30 AEEERN C/C=C\C(=O)c1nccn1CCC 308140732 572821598 /nfs/dbraw/zinc/82/15/98/572821598.db2.gz SPYQWIJELJZWLR-HYXAFXHYSA-N 0 0 178.235 2.052 10 30 AEEERN C#C[C@@](C)(CC)Nc1ncccc1F 306815268 572821790 /nfs/dbraw/zinc/82/17/90/572821790.db2.gz DELOASGRBPDJII-NSHDSACASA-N 0 0 192.237 2.435 10 30 AEEERN C#Cc1csc2ncccc12 306806232 572822274 /nfs/dbraw/zinc/82/22/74/572822274.db2.gz JBRTYUKXKBAKDG-UHFFFAOYSA-N 0 0 159.213 2.278 10 30 AEEERN CC(=O)c1ccn(CCCCC#N)c1 85832993 572821864 /nfs/dbraw/zinc/82/18/64/572821864.db2.gz VKZIUGJFKRJHRJ-UHFFFAOYSA-N 0 0 190.246 2.385 10 30 AEEERN CC(=NNC(C)(C)C)c1ccco1 308139853 572822078 /nfs/dbraw/zinc/82/20/78/572822078.db2.gz HQYUNNRIXMRKJY-UHFFFAOYSA-N 0 0 180.251 2.392 10 30 AEEERN C#CCCOc1c(C)ccnc1Cl 306818728 572822162 /nfs/dbraw/zinc/82/21/62/572822162.db2.gz CENHQBODORSJEB-UHFFFAOYSA-N 0 0 195.649 2.446 10 30 AEEERN CCCCCCCONC(C)=O 307948393 572822331 /nfs/dbraw/zinc/82/23/31/572822331.db2.gz ALPFBTJYUPLWSV-UHFFFAOYSA-N 0 0 173.256 2.025 10 30 AEEERN C#CCCn1cc(C)c(C)c1 306893940 572822468 /nfs/dbraw/zinc/82/24/68/572822468.db2.gz KLNUJWLEXYNSLF-UHFFFAOYSA-N 0 0 147.221 2.128 10 30 AEEERN CO[C@@H](C)C(C)=NOC/C=C/Cl 308141496 572827108 /nfs/dbraw/zinc/82/71/08/572827108.db2.gz HQKPBYWXWFGUNO-QORLFPNCSA-N 0 0 191.658 2.166 10 30 AEEERN C=CCCn1ccc(C(C)=O)c1 85832848 572822756 /nfs/dbraw/zinc/82/27/56/572822756.db2.gz IHUKTYAWDMLNDM-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN CC[C@@H](CC#N)Nn1c(C)ccc1C 85831091 572822864 /nfs/dbraw/zinc/82/28/64/572822864.db2.gz FZKYPDQCJIKASZ-NSHDSACASA-N 0 0 191.278 2.341 10 30 AEEERN C#CCCn1ccc(C(=O)CC)c1 85838409 572823224 /nfs/dbraw/zinc/82/32/24/572823224.db2.gz JFPUZFUHZBQTPW-UHFFFAOYSA-N 0 0 175.231 2.104 10 30 AEEERN C=C(C)CN(C)c1cc(F)ccc1N 306853307 572823410 /nfs/dbraw/zinc/82/34/10/572823410.db2.gz SUZRXBMEHDEFHJ-UHFFFAOYSA-N 0 0 194.253 2.420 10 30 AEEERN CCc1ccc(C=NOC)cc1 307948090 572823482 /nfs/dbraw/zinc/82/34/82/572823482.db2.gz AFLKQJJYFXXSSE-UHFFFAOYSA-N 0 0 163.220 2.229 10 30 AEEERN C/C=C\C(=O)c1ccnn1CCC 308140730 572823542 /nfs/dbraw/zinc/82/35/42/572823542.db2.gz SPQCZZQFRCGFKZ-HYXAFXHYSA-N 0 0 178.235 2.052 10 30 AEEERN C[C@H](O)c1ccn(CCCCC#N)c1 85833943 572823643 /nfs/dbraw/zinc/82/36/43/572823643.db2.gz UIDKPBOBXHJFLH-JTQLQIEISA-N 0 0 192.262 2.235 10 30 AEEERN CC#Cc1nc2ccccc2o1 306921206 572823790 /nfs/dbraw/zinc/82/37/90/572823790.db2.gz PKXUUXIRIXWTLI-UHFFFAOYSA-N 0 0 157.172 2.199 10 30 AEEERN C=CCn1ccc([C@H](O)CC)c1 85838834 572823950 /nfs/dbraw/zinc/82/39/50/572823950.db2.gz LRDMHZRSUYLTHC-SNVBAGLBSA-N 0 0 165.236 2.118 10 30 AEEERN C[C@@H](O)c1ccn(CCCCC#N)c1 85833945 572824039 /nfs/dbraw/zinc/82/40/39/572824039.db2.gz UIDKPBOBXHJFLH-SNVBAGLBSA-N 0 0 192.262 2.235 10 30 AEEERN COc1ccc(C(C)=NO)cc1C 714560822 572824060 /nfs/dbraw/zinc/82/40/60/572824060.db2.gz RMASVAZRMNYWCA-UHFFFAOYSA-N 0 0 179.219 2.202 10 30 AEEERN C/C=C\C#C[C@@H](O)c1cccs1 307949849 572824495 /nfs/dbraw/zinc/82/44/95/572824495.db2.gz QYZLPNLHCBQVAZ-PKRMOACSSA-N 0 0 178.256 2.361 10 30 AEEERN C=CCCn1ccc([C@H](C)O)c1 85833858 572824643 /nfs/dbraw/zinc/82/46/43/572824643.db2.gz HBKZPTBOKZIBKE-VIFPVBQESA-N 0 0 165.236 2.118 10 30 AEEERN C=CCCC(=O)[C@H](O)C1CCCCC1 236532395 572827772 /nfs/dbraw/zinc/82/77/72/572827772.db2.gz LHXLDBDGSXKKJO-GFCCVEGCSA-N 0 0 196.290 2.463 10 30 AEEERN C=CCCCCC[C@H](O)[C@@H](O)C1CC1 236536040 572827716 /nfs/dbraw/zinc/82/77/16/572827716.db2.gz WYSTZTAXKFOXAM-RYUDHWBXSA-N 0 0 198.306 2.255 10 30 AEEERN C=CCCn1ccc([C@@H](C)O)c1 85833860 572824755 /nfs/dbraw/zinc/82/47/55/572824755.db2.gz HBKZPTBOKZIBKE-SECBINFHSA-N 0 0 165.236 2.118 10 30 AEEERN C=CCCCNC(=O)/C(C)=C/C 307950583 572824758 /nfs/dbraw/zinc/82/47/58/572824758.db2.gz NRXHKRKVQUJQGU-WEVVVXLNSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCC[C@@H](NN)C1(CCC)CC1 308140838 572824822 /nfs/dbraw/zinc/82/48/22/572824822.db2.gz LCZOBGDLASCAPQ-SNVBAGLBSA-N 0 0 182.311 2.365 10 30 AEEERN C=CCN(CC)C(=O)[C@H](C)CC 307949960 572824872 /nfs/dbraw/zinc/82/48/72/572824872.db2.gz NDACTXUYLRHGOF-SECBINFHSA-N 0 0 169.268 2.067 10 30 AEEERN CCON=Cc1cc(C)[nH]c1C 308141440 572824876 /nfs/dbraw/zinc/82/48/76/572824876.db2.gz HNRYTIVZTGNXDN-UHFFFAOYSA-N 0 0 166.224 2.002 10 30 AEEERN CCC(CC)NN=C1CCSC1 307949775 572824942 /nfs/dbraw/zinc/82/49/42/572824942.db2.gz MXVITFLBHMRWBF-UHFFFAOYSA-N 0 0 186.324 2.258 10 30 AEEERN C#CCCn1ccc([C@@H](O)CCC)c1 85841540 572827723 /nfs/dbraw/zinc/82/77/23/572827723.db2.gz XGRDYWHSULXXGG-LBPRGKRZSA-N 0 0 191.274 2.345 10 30 AEEERN C=CCC[C@H](NN)C1(CCC)CC1 308140837 572824987 /nfs/dbraw/zinc/82/49/87/572824987.db2.gz LCZOBGDLASCAPQ-JTQLQIEISA-N 0 0 182.311 2.365 10 30 AEEERN CC(=NNC[C@H]1C[C@@H]1C)C1CC1 307949755 572825030 /nfs/dbraw/zinc/82/50/30/572825030.db2.gz MWUCLWUOKAQACP-OIBJUYFYSA-N 0 0 166.268 2.018 10 30 AEEERN CC[C@@H](O)c1ccn(CCCC#N)c1 85838871 572825077 /nfs/dbraw/zinc/82/50/77/572825077.db2.gz USSPPJOGJOEUAU-LLVKDONJSA-N 0 0 192.262 2.235 10 30 AEEERN Cc1cc(F)c(C#CCO)cc1Cl 306978125 572825117 /nfs/dbraw/zinc/82/51/17/572825117.db2.gz ODSXZVZIRKRSTF-UHFFFAOYSA-N 0 0 198.624 2.131 10 30 AEEERN C=CCCC(=O)O[C@@H](C)C1CC1 307949735 572825303 /nfs/dbraw/zinc/82/53/03/572825303.db2.gz MVKCQWZLMLUWIM-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=C([C@H](O)[C@]1(C)C[C@H]1F)C(F)(F)F 306929051 572825408 /nfs/dbraw/zinc/82/54/08/572825408.db2.gz BJSJGASYBBOMNB-DSYKOEDSSA-N 0 0 198.159 2.214 10 30 AEEERN O=C1CCCC2=C1c1ccccc1CN2 238576393 572825424 /nfs/dbraw/zinc/82/54/24/572825424.db2.gz NGQBARPTCZEAKP-UHFFFAOYSA-N 0 0 199.253 2.254 10 30 AEEERN C=CCC[C@@H](O)[C@@H](O)c1ccccc1 236542627 572825445 /nfs/dbraw/zinc/82/54/45/572825445.db2.gz PZXHPIRYTILOPX-NEPJUHHUSA-N 0 0 192.258 2.047 10 30 AEEERN C=CCC[C@H](O)[C@H](O)C1CCCCC1 236529502 572825481 /nfs/dbraw/zinc/82/54/81/572825481.db2.gz HENVJFGDWRUFAG-NWDGAFQWSA-N 0 0 198.306 2.255 10 30 AEEERN C=C(C)CSc1nnc(C)c(C)n1 306924594 572825522 /nfs/dbraw/zinc/82/55/22/572825522.db2.gz JUJDBYHYDCMVEM-UHFFFAOYSA-N 0 0 195.291 2.157 10 30 AEEERN C=CCC[C@@H](O)C1(O)CCCCCC1 236542378 572825646 /nfs/dbraw/zinc/82/56/46/572825646.db2.gz CXQUEJRKNMFMBK-LLVKDONJSA-N 0 0 198.306 2.399 10 30 AEEERN CC(=NNC[C@H]1C[C@H]1C)C1CC1 307949754 572826432 /nfs/dbraw/zinc/82/64/32/572826432.db2.gz MWUCLWUOKAQACP-GMSGAONNSA-N 0 0 166.268 2.018 10 30 AEEERN CC[C@H](O)c1ccn(CCCC#N)c1 85838869 572825731 /nfs/dbraw/zinc/82/57/31/572825731.db2.gz USSPPJOGJOEUAU-NSHDSACASA-N 0 0 192.262 2.235 10 30 AEEERN C=CCC[C@H](O)[C@H](O)c1ccccc1 236529509 572825773 /nfs/dbraw/zinc/82/57/73/572825773.db2.gz PZXHPIRYTILOPX-NWDGAFQWSA-N 0 0 192.258 2.047 10 30 AEEERN C=CC[C@H]1Oc2ccccc2[C@@H]1O 306947087 572825793 /nfs/dbraw/zinc/82/57/93/572825793.db2.gz OIKBNOHOSZZNKY-MNOVXSKESA-N 0 0 176.215 2.057 10 30 AEEERN C/C=C\C#C[C@H](O)c1cccs1 307949850 572825875 /nfs/dbraw/zinc/82/58/75/572825875.db2.gz QYZLPNLHCBQVAZ-XADBCAIWSA-N 0 0 178.256 2.361 10 30 AEEERN CC(=NNC[C@@H]1C[C@H]1C)C1CC1 307949756 572825903 /nfs/dbraw/zinc/82/59/03/572825903.db2.gz MWUCLWUOKAQACP-XCBNKYQSSA-N 0 0 166.268 2.018 10 30 AEEERN C=C(C)[C@H](O)CSC(C)C 306828159 572825931 /nfs/dbraw/zinc/82/59/31/572825931.db2.gz IEEKXOSWOSBLLS-MRVPVSSYSA-N 0 0 160.282 2.065 10 30 AEEERN C=CC[C@@H](C)NC(=O)C(F)=C(C)C 308140887 572825996 /nfs/dbraw/zinc/82/59/96/572825996.db2.gz IKCZYPXUMAQQCR-MRVPVSSYSA-N 0 0 185.242 2.331 10 30 AEEERN C=CCCCNC(=O)/C(C)=C\C 307950580 572826115 /nfs/dbraw/zinc/82/61/15/572826115.db2.gz NRXHKRKVQUJQGU-UITAMQMPSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCN(CC)C(=O)[C@@H](C)CC 307949962 572826124 /nfs/dbraw/zinc/82/61/24/572826124.db2.gz NDACTXUYLRHGOF-VIFPVBQESA-N 0 0 169.268 2.067 10 30 AEEERN C=C(C)[C@@H]1[C@H](C)C(=O)C[C@H]1C 306961505 572826279 /nfs/dbraw/zinc/82/62/79/572826279.db2.gz FCKAHOXJBQZECJ-MRTMQBJTSA-N 0 0 152.237 2.424 10 30 AEEERN CCOc1ccc(OCC)c(C#N)c1 71464066 572826301 /nfs/dbraw/zinc/82/63/01/572826301.db2.gz UVDKYWALBHFDNJ-UHFFFAOYSA-N 0 0 191.230 2.356 10 30 AEEERN C=CCn1ccc([C@@H](O)C2CC2)c1 85844807 572826347 /nfs/dbraw/zinc/82/63/47/572826347.db2.gz FMMVSFGZUQOKAY-NSHDSACASA-N 0 0 177.247 2.118 10 30 AEEERN C#CC[C@](O)(CC)C(C)(C)C 306918394 572826455 /nfs/dbraw/zinc/82/64/55/572826455.db2.gz ZUFKAUNGHLVCSL-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN CC#CCn1ccc(C(=O)CCC)c1 85841073 572826522 /nfs/dbraw/zinc/82/65/22/572826522.db2.gz VRRQWPAOAQOUTF-UHFFFAOYSA-N 0 0 189.258 2.494 10 30 AEEERN C=CCC[C@H](O)C1(O)CCCCCC1 236529102 572826643 /nfs/dbraw/zinc/82/66/43/572826643.db2.gz CXQUEJRKNMFMBK-NSHDSACASA-N 0 0 198.306 2.399 10 30 AEEERN C[C@@H](CC#N)NN=CC1CCCC1 308141345 572826659 /nfs/dbraw/zinc/82/66/59/572826659.db2.gz ITXIEJVDWDTTRG-VIFPVBQESA-N 0 0 179.267 2.054 10 30 AEEERN CO[C@H](C)C(C)=NOC/C=C/Cl 308141497 572826675 /nfs/dbraw/zinc/82/66/75/572826675.db2.gz HQKPBYWXWFGUNO-UVBICGBDSA-N 0 0 191.658 2.166 10 30 AEEERN CO[C@H](C)C(C)=NOC/C=C\Cl 308141498 572826733 /nfs/dbraw/zinc/82/67/33/572826733.db2.gz HQKPBYWXWFGUNO-WVWGPLAXSA-N 0 0 191.658 2.166 10 30 AEEERN CC(=NNC[C@@H]1C[C@@H]1C)C1CC1 307949757 572826734 /nfs/dbraw/zinc/82/67/34/572826734.db2.gz MWUCLWUOKAQACP-XVKPBYJWSA-N 0 0 166.268 2.018 10 30 AEEERN C#CC[C@@H](O)c1ccc(C)cc1OC 234860086 572826744 /nfs/dbraw/zinc/82/67/44/572826744.db2.gz PFVKONUJSMVLIA-LLVKDONJSA-N 0 0 190.242 2.060 10 30 AEEERN C=CCC[C@H](O)C1(O)CCCCC1 236529095 572826776 /nfs/dbraw/zinc/82/67/76/572826776.db2.gz RYVIOOGFZXFQLI-JTQLQIEISA-N 0 0 184.279 2.009 10 30 AEEERN C#C[C@@H](C)N(C)c1nc(CC)cs1 306930400 572826785 /nfs/dbraw/zinc/82/67/85/572826785.db2.gz BHKODGMSNYCEJE-MRVPVSSYSA-N 0 0 194.303 2.163 10 30 AEEERN C#CCn1ccc(C(=O)CCC)c1 85841048 572826792 /nfs/dbraw/zinc/82/67/92/572826792.db2.gz AFBAQMGHFCHVIE-UHFFFAOYSA-N 0 0 175.231 2.104 10 30 AEEERN C=CCCC[C@H](O)C1(O)CCCCC1 236532622 572826901 /nfs/dbraw/zinc/82/69/01/572826901.db2.gz YOBWMGHKLBMQTJ-NSHDSACASA-N 0 0 198.306 2.399 10 30 AEEERN C=CCn1ccc([C@H](O)C2CC2)c1 85844805 572826929 /nfs/dbraw/zinc/82/69/29/572826929.db2.gz FMMVSFGZUQOKAY-LLVKDONJSA-N 0 0 177.247 2.118 10 30 AEEERN C=CCC[C@@H](O)[C@H](O)C1CCCCC1 236542741 572827078 /nfs/dbraw/zinc/82/70/78/572827078.db2.gz HENVJFGDWRUFAG-VXGBXAGGSA-N 0 0 198.306 2.255 10 30 AEEERN C=CC[C@H](C)NC(=O)C(F)=C(C)C 308140888 572827157 /nfs/dbraw/zinc/82/71/57/572827157.db2.gz IKCZYPXUMAQQCR-QMMMGPOBSA-N 0 0 185.242 2.331 10 30 AEEERN CC#CCn1ccc([C@@H](O)CCC)c1 85841533 572827170 /nfs/dbraw/zinc/82/71/70/572827170.db2.gz HLPZAJVOMULRJF-LBPRGKRZSA-N 0 0 191.274 2.345 10 30 AEEERN C=CCCC(=O)[C@@H](O)C1CCCCC1 236528145 572827245 /nfs/dbraw/zinc/82/72/45/572827245.db2.gz LHXLDBDGSXKKJO-LBPRGKRZSA-N 0 0 196.290 2.463 10 30 AEEERN C#CCCn1ccc([C@H](O)CCC)c1 85841545 572827293 /nfs/dbraw/zinc/82/72/93/572827293.db2.gz XGRDYWHSULXXGG-GFCCVEGCSA-N 0 0 191.274 2.345 10 30 AEEERN N#Cc1ccccc1CCc1c[nH]cn1 238567972 572827439 /nfs/dbraw/zinc/82/74/39/572827439.db2.gz RBLAFPALIGYFKK-UHFFFAOYSA-N 0 0 197.241 2.067 10 30 AEEERN C=CCC[C@@H](O)C1(O)CCCCC1 236542371 572827493 /nfs/dbraw/zinc/82/74/93/572827493.db2.gz RYVIOOGFZXFQLI-SNVBAGLBSA-N 0 0 184.279 2.009 10 30 AEEERN C=CC(Cl)(Cl)[C@H](O)CC 221932822 572827844 /nfs/dbraw/zinc/82/78/44/572827844.db2.gz CVJBMYJCYPEFTJ-RXMQYKEDSA-N 0 0 169.051 2.117 10 30 AEEERN C=CCCCCC[C@H](O)[C@H](O)C1CC1 236536643 572827688 /nfs/dbraw/zinc/82/76/88/572827688.db2.gz WYSTZTAXKFOXAM-NWDGAFQWSA-N 0 0 198.306 2.255 10 30 AEEERN C=CCCC[C@H](O)C1(O)CCCC1 236532609 572828027 /nfs/dbraw/zinc/82/80/27/572828027.db2.gz QFQZIYPYGNYKFJ-JTQLQIEISA-N 0 0 184.279 2.009 10 30 AEEERN CCc1cc(OC)ccc1C#N 71463286 572828608 /nfs/dbraw/zinc/82/86/08/572828608.db2.gz PUXKVQIGXFJHJG-UHFFFAOYSA-N 0 0 161.204 2.129 10 30 AEEERN C=CCC[C@H](O)[C@@H](O)c1ccccc1 236529391 572828096 /nfs/dbraw/zinc/82/80/96/572828096.db2.gz PZXHPIRYTILOPX-RYUDHWBXSA-N 0 0 192.258 2.047 10 30 AEEERN N#Cc1cnc(-c2ccccc2C#N)o1 238580330 572828109 /nfs/dbraw/zinc/82/81/09/572828109.db2.gz DUAMHRGEQPDNSU-UHFFFAOYSA-N 0 0 195.181 2.085 10 30 AEEERN C#CCCn1ccc([C@H](O)C(C)C)c1 85843325 572828169 /nfs/dbraw/zinc/82/81/69/572828169.db2.gz GCMRXOLKCDLDJP-GFCCVEGCSA-N 0 0 191.274 2.201 10 30 AEEERN C#CCCn1ccc(C(=O)CCC)c1 85841038 572828208 /nfs/dbraw/zinc/82/82/08/572828208.db2.gz KAMXHFSQESVPCX-UHFFFAOYSA-N 0 0 189.258 2.494 10 30 AEEERN CC1CCC(OCC[C@H]2CO2)CC1 308141556 572828231 /nfs/dbraw/zinc/82/82/31/572828231.db2.gz UHVMLWBINDOXBS-ILDUYXDCSA-N 0 0 184.279 2.371 10 30 AEEERN Cc1ccc2c(c1)[C@@H](CC#N)CN2 71487006 572828365 /nfs/dbraw/zinc/82/83/65/572828365.db2.gz SWRDNOUGOMMTFU-VIFPVBQESA-N 0 0 172.231 2.418 10 30 AEEERN N#Cc1cccc(-c2ncc(C#N)o2)c1 238578712 572828397 /nfs/dbraw/zinc/82/83/97/572828397.db2.gz FYWPZVGTLDBZRA-UHFFFAOYSA-N 0 0 195.181 2.085 10 30 AEEERN C=CCC[C@@H](O)[C@@H](O)C1CCCCC1 236542618 572828578 /nfs/dbraw/zinc/82/85/78/572828578.db2.gz HENVJFGDWRUFAG-NEPJUHHUSA-N 0 0 198.306 2.255 10 30 AEEERN C#CCCn1ccc([C@@H](O)C(C)C)c1 85843322 572828654 /nfs/dbraw/zinc/82/86/54/572828654.db2.gz GCMRXOLKCDLDJP-LBPRGKRZSA-N 0 0 191.274 2.201 10 30 AEEERN C#CCCn1ccc(C(=O)C2CC2)c1 85844416 572828840 /nfs/dbraw/zinc/82/88/40/572828840.db2.gz DBHCEILMGZIPPI-UHFFFAOYSA-N 0 0 187.242 2.104 10 30 AEEERN C#CCCn1ccc(C(=O)C(C)C)c1 85842742 572828884 /nfs/dbraw/zinc/82/88/84/572828884.db2.gz GLPWNLUQCBFJCS-UHFFFAOYSA-N 0 0 189.258 2.350 10 30 AEEERN C=C1C[C@H](C(=C)C)CC[C@H]1O 306952682 572828910 /nfs/dbraw/zinc/82/89/10/572828910.db2.gz HHWWINPLIXETID-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN Cc1ccc2c(c1)[C@@H](C#N)CN2 71486916 572828957 /nfs/dbraw/zinc/82/89/57/572828957.db2.gz PJBFIHDTQOEUTI-QMMMGPOBSA-N 0 0 158.204 2.028 10 30 AEEERN O=C1C=C2CC=CC=CC=C2C1 238580040 572829080 /nfs/dbraw/zinc/82/90/80/572829080.db2.gz UJWKRJKXJFMJIQ-UHFFFAOYSA-N 0 0 158.200 2.328 10 30 AEEERN C=C[C@@H]1C[C@@H](C)[C@H](O)C1(C)C 306928257 572829138 /nfs/dbraw/zinc/82/91/38/572829138.db2.gz XKZREDVLDNDUAY-HLTSFMKQSA-N 0 0 154.253 2.216 10 30 AEEERN C#CSCc1ccco1 306918673 572829153 /nfs/dbraw/zinc/82/91/53/572829153.db2.gz INOYYIOJLXFWAD-UHFFFAOYSA-N 0 0 138.191 2.104 10 30 AEEERN N#Cc1cc2c3c(nccn13)CCCC2 238567124 572829190 /nfs/dbraw/zinc/82/91/90/572829190.db2.gz XLSNIKPQHQXGRD-UHFFFAOYSA-N 0 0 197.241 2.085 10 30 AEEERN C[C@H](C[C@H](O)CC#N)c1ccccc1 85878899 572829284 /nfs/dbraw/zinc/82/92/84/572829284.db2.gz MRFXVBSTNLLPDB-ZYHUDNBSSA-N 0 0 189.258 2.455 10 30 AEEERN CCc1cccc2c1NC[C@@H]2C#N 71486966 572829353 /nfs/dbraw/zinc/82/93/53/572829353.db2.gz QGRKUHDFICZHRA-VIFPVBQESA-N 0 0 172.231 2.282 10 30 AEEERN C=CCCCOCC(=C)C(=O)OCC 85847790 572829457 /nfs/dbraw/zinc/82/94/57/572829457.db2.gz NHMSYYYAMTYQKB-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN CCC[C@H](C)C=NOCCOC 307951282 572829537 /nfs/dbraw/zinc/82/95/37/572829537.db2.gz OGCOLVSRNKSTJG-VIFPVBQESA-N 0 0 173.256 2.071 10 30 AEEERN C=C[C@@H]([NH3+])c1cc2c(cc1C#N)CCC2 238580202 572829564 /nfs/dbraw/zinc/82/95/64/572829564.db2.gz VQPHDCWVPDYGMA-CYBMUJFWSA-N 0 0 198.269 2.233 10 30 AEEERN C=CCCCOCC(=O)c1ccco1 85867419 572829569 /nfs/dbraw/zinc/82/95/69/572829569.db2.gz MRNNZJUHLIELBP-UHFFFAOYSA-N 0 0 194.230 2.445 10 30 AEEERN CC(C)CC(=NN)c1ccccc1 308141939 572829601 /nfs/dbraw/zinc/82/96/01/572829601.db2.gz JESGSODKWDQVNJ-UHFFFAOYSA-N 0 0 176.263 2.396 10 30 AEEERN CCOc1ccccc1[C@@H](O)CC#N 85878067 572829692 /nfs/dbraw/zinc/82/96/92/572829692.db2.gz NHZWRPXBDPGPQY-JTQLQIEISA-N 0 0 191.230 2.032 10 30 AEEERN CC[C@@H](C)CN(C)C(C)(C)C#N 307951071 572829695 /nfs/dbraw/zinc/82/96/95/572829695.db2.gz OBJCBNOZJDPRNU-SECBINFHSA-N 0 0 168.284 2.266 10 30 AEEERN C=CCCCOCCCC(C)=O 85867491 572829729 /nfs/dbraw/zinc/82/97/29/572829729.db2.gz LRRPLRXHLVHNBP-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN CC#C[C@H](O)[C@H](C)CC(C)C 306991015 572829745 /nfs/dbraw/zinc/82/97/45/572829745.db2.gz URBJUZHNYVLLQW-ZJUUUORDSA-N 0 0 154.253 2.053 10 30 AEEERN C=C[C@@H]([NH3+])c1cc(C#N)c2c(c1)CCC2 238580181 572829759 /nfs/dbraw/zinc/82/97/59/572829759.db2.gz FKTZULCHGZAYPK-CYBMUJFWSA-N 0 0 198.269 2.233 10 30 AEEERN Cc1ccc2c(c1)[C@H](C#N)CN2 71486914 572829782 /nfs/dbraw/zinc/82/97/82/572829782.db2.gz PJBFIHDTQOEUTI-MRVPVSSYSA-N 0 0 158.204 2.028 10 30 AEEERN C=CCCCOCC(=O)CCC 85867298 572829798 /nfs/dbraw/zinc/82/97/98/572829798.db2.gz KEKSDQXGWARQNG-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN N#CC[C@@H](O)c1cccc2cccnc12 85878968 572829817 /nfs/dbraw/zinc/82/98/17/572829817.db2.gz CVXIVKGBRUIZBK-LLVKDONJSA-N 0 0 198.225 2.182 10 30 AEEERN CC[C@H](C)CN(C)C(C)(C)C#N 307951077 572829867 /nfs/dbraw/zinc/82/98/67/572829867.db2.gz OBJCBNOZJDPRNU-VIFPVBQESA-N 0 0 168.284 2.266 10 30 AEEERN CCc1ccc2c(c1)[C@H](C#N)CN2 71486918 572829931 /nfs/dbraw/zinc/82/99/31/572829931.db2.gz CEOUVIJSXRATKC-SECBINFHSA-N 0 0 172.231 2.282 10 30 AEEERN C=CCCCCC[C@@H](O)[C@@H](O)C1CC1 236548485 572830018 /nfs/dbraw/zinc/83/00/18/572830018.db2.gz WYSTZTAXKFOXAM-NEPJUHHUSA-N 0 0 198.306 2.255 10 30 AEEERN C=C1C[C@@H](C(=C)C)CC[C@@H]1O 306952686 572830042 /nfs/dbraw/zinc/83/00/42/572830042.db2.gz HHWWINPLIXETID-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN CCOc1ccc2c(c1)[C@H](C#N)CN2 71486943 572830045 /nfs/dbraw/zinc/83/00/45/572830045.db2.gz LMHIONFDINAKRB-MRVPVSSYSA-N 0 0 188.230 2.118 10 30 AEEERN CC1CCC(OCC[C@@H]2CO2)CC1 308141557 572830128 /nfs/dbraw/zinc/83/01/28/572830128.db2.gz UHVMLWBINDOXBS-VQXHTEKXSA-N 0 0 184.279 2.371 10 30 AEEERN CCC[C@@H](C)C=NOCCOC 307951281 572830229 /nfs/dbraw/zinc/83/02/29/572830229.db2.gz OGCOLVSRNKSTJG-SECBINFHSA-N 0 0 173.256 2.071 10 30 AEEERN C=CCCCO[C@H](C)CC(C)=O 85867406 572830186 /nfs/dbraw/zinc/83/01/86/572830186.db2.gz YFIYWFOMZKVDOJ-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN Cc1cccc2c1NC[C@@H]2C#N 71486962 572830278 /nfs/dbraw/zinc/83/02/78/572830278.db2.gz QUJQYWPGVZOEPR-QMMMGPOBSA-N 0 0 158.204 2.028 10 30 AEEERN CC[C@H](C)[C@@](C)(O)[C@H](C#N)CC 85882147 572831503 /nfs/dbraw/zinc/83/15/03/572831503.db2.gz IEJNXGKSPSNRJU-LPEHRKFASA-N 0 0 169.268 2.333 10 30 AEEERN C=CCCC(=O)[C@@H](O)c1ccccc1 236551624 572830323 /nfs/dbraw/zinc/83/03/23/572830323.db2.gz NKYMRZIIOSRGCO-LBPRGKRZSA-N 0 0 190.242 2.255 10 30 AEEERN CCc1ccc2c(c1)[C@@H](C#N)CN2 71486919 572830337 /nfs/dbraw/zinc/83/03/37/572830337.db2.gz CEOUVIJSXRATKC-VIFPVBQESA-N 0 0 172.231 2.282 10 30 AEEERN N#CC[C@@H](O)c1ccnc2ccccc12 85878656 572830338 /nfs/dbraw/zinc/83/03/38/572830338.db2.gz RLKOKRJGVCDCTQ-GFCCVEGCSA-N 0 0 198.225 2.182 10 30 AEEERN CCC[C@H](C)[C@@H](O)C(C)(C)C#N 85892181 572834447 /nfs/dbraw/zinc/83/44/47/572834447.db2.gz NQCLMKWTOHZPGV-DTWKUNHWSA-N 0 0 169.268 2.333 10 30 AEEERN C=CCCOc1ccc(C=O)o1 85873939 572830568 /nfs/dbraw/zinc/83/05/68/572830568.db2.gz YNOFPVHIOZMKJI-UHFFFAOYSA-N 0 0 166.176 2.047 10 30 AEEERN Cc1cccc2c1NC[C@@H]2CC#N 71487053 572830656 /nfs/dbraw/zinc/83/06/56/572830656.db2.gz UTZPEBFILNQJRI-VIFPVBQESA-N 0 0 172.231 2.418 10 30 AEEERN CC(=O)/C=C\c1cccc(F)c1 96320130 572830818 /nfs/dbraw/zinc/83/08/18/572830818.db2.gz HMPIVEBXKYNVET-WAYWQWQTSA-N 0 0 164.179 2.428 10 30 AEEERN N#CC[C@@H](O)c1ccc2ncccc2c1 85878959 572830825 /nfs/dbraw/zinc/83/08/25/572830825.db2.gz IQNCJEQRMYIYJY-GFCCVEGCSA-N 0 0 198.225 2.182 10 30 AEEERN C=CCOC(=O)C[C@H](C)C(C)C 307952686 572830778 /nfs/dbraw/zinc/83/07/78/572830778.db2.gz PGLJBXIEXRDIDI-VIFPVBQESA-N 0 0 170.252 2.398 10 30 AEEERN N#Cc1ccc(NC2CCC2)cc1C#N 236244703 572830787 /nfs/dbraw/zinc/83/07/87/572830787.db2.gz ODOXBICLPFUNQC-UHFFFAOYSA-N 0 0 197.241 2.394 10 30 AEEERN C=CCCCO[C@@H](C#N)CC 85867229 572830885 /nfs/dbraw/zinc/83/08/85/572830885.db2.gz IQHKTGULGMJLGY-SECBINFHSA-N 0 0 153.225 2.271 10 30 AEEERN CCOc1ccc([C@H](O)CC#N)cc1 85878030 572830925 /nfs/dbraw/zinc/83/09/25/572830925.db2.gz RHZMBZRADGIKEM-LLVKDONJSA-N 0 0 191.230 2.032 10 30 AEEERN C=CC[C@]1(CO)[C@@H]2C=C[C@H]1CC2 306926842 572831909 /nfs/dbraw/zinc/83/19/09/572831909.db2.gz RGOLTFVCNHZQGJ-URLYPYJESA-N 0 0 164.248 2.137 10 30 AEEERN CN(C)c1ccc(CC#N)cc1Cl 214781047 572831111 /nfs/dbraw/zinc/83/11/11/572831111.db2.gz PIVHGVYWJIFWMO-UHFFFAOYSA-N 0 0 194.665 2.472 10 30 AEEERN C=CCCCOc1ccc(C#N)cn1 85867186 572831262 /nfs/dbraw/zinc/83/12/62/572831262.db2.gz MCVMTJBICSHVNA-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN CC[C@H](C)[C@](C)(O)[C@H](C#N)CC 85882140 572831267 /nfs/dbraw/zinc/83/12/67/572831267.db2.gz IEJNXGKSPSNRJU-GUBZILKMSA-N 0 0 169.268 2.333 10 30 AEEERN C=C[C@@H](O)[C@H]1C[C@H]2C=C[C@@H]1CC2 306991141 572831283 /nfs/dbraw/zinc/83/12/83/572831283.db2.gz JVCWWCBPYZXLKT-ZRUFSTJUSA-N 0 0 164.248 2.136 10 30 AEEERN CCOc1ccc([C@@H]2CO2)cc1C 71497454 572831323 /nfs/dbraw/zinc/83/13/23/572831323.db2.gz JTZUQGIIVPPROR-NSHDSACASA-N 0 0 178.231 2.465 10 30 AEEERN N#CC[C@@H](O)c1ccc2ccccc2n1 85879383 572831369 /nfs/dbraw/zinc/83/13/69/572831369.db2.gz UGRXMRBCFSOBNL-GFCCVEGCSA-N 0 0 198.225 2.182 10 30 AEEERN C=C(CC)C[C@@H]1COC(C)(C)[C@@H]1O 306933572 572831376 /nfs/dbraw/zinc/83/13/76/572831376.db2.gz DNZMDHPFLAWXQL-NXEZZACHSA-N 0 0 184.279 2.129 10 30 AEEERN CC#C[C@@H](O)[C@@H](C)CC(C)C 306991014 572831402 /nfs/dbraw/zinc/83/14/02/572831402.db2.gz URBJUZHNYVLLQW-VHSXEESVSA-N 0 0 154.253 2.053 10 30 AEEERN C=CCCCOC/C=C(\C)C(=O)OC 85847916 572831406 /nfs/dbraw/zinc/83/14/06/572831406.db2.gz BAGMMOUXDAUMJH-JXMROGBWSA-N 0 0 198.262 2.089 10 30 AEEERN C=CCCCO[C@H](C)C(=O)CC 85867351 572831419 /nfs/dbraw/zinc/83/14/19/572831419.db2.gz DSMUFWDUIKHJLR-SECBINFHSA-N 0 0 170.252 2.337 10 30 AEEERN C=CCCCOc1ncccc1C#N 85867204 572831426 /nfs/dbraw/zinc/83/14/26/572831426.db2.gz UIPBZQXOMDHIIB-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN CC[C@](C)(C#N)[C@@](O)(CC)C1CC1 85895215 572833832 /nfs/dbraw/zinc/83/38/32/572833832.db2.gz LRLMPYBIEBTJEL-GHMZBOCLSA-N 0 0 181.279 2.477 10 30 AEEERN C=C(CC)C[C@H]1COC(C)(C)[C@@H]1O 306933576 572831451 /nfs/dbraw/zinc/83/14/51/572831451.db2.gz DNZMDHPFLAWXQL-VHSXEESVSA-N 0 0 184.279 2.129 10 30 AEEERN CCCCN(C)[C@@H](C#N)C(C)C 71496367 572831471 /nfs/dbraw/zinc/83/14/71/572831471.db2.gz DIKIKTGILYLCBT-JTQLQIEISA-N 0 0 168.284 2.266 10 30 AEEERN C=CCCC[C@@H](O)C1(O)CCCC1 236546050 572831474 /nfs/dbraw/zinc/83/14/74/572831474.db2.gz QFQZIYPYGNYKFJ-SNVBAGLBSA-N 0 0 184.279 2.009 10 30 AEEERN C#CCCC1=C[C@H](O)C[C@@H](C)C1 306932189 572831487 /nfs/dbraw/zinc/83/14/87/572831487.db2.gz CNKLADMGDLTNQG-GXSJLCMTSA-N 0 0 164.248 2.117 10 30 AEEERN C=CCOC(=O)C[C@@H](C)C(C)C 307952684 572831494 /nfs/dbraw/zinc/83/14/94/572831494.db2.gz PGLJBXIEXRDIDI-SECBINFHSA-N 0 0 170.252 2.398 10 30 AEEERN C=CCCCOc1ccnc(C#N)c1 85867202 572831496 /nfs/dbraw/zinc/83/14/96/572831496.db2.gz CSKMLLPMPHEQLW-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN CC(C)=NOC/C=C\Cl 200210967 572831520 /nfs/dbraw/zinc/83/15/20/572831520.db2.gz CETJAMWDGXFQPB-ARJAWSKDSA-N 0 0 147.605 2.151 10 30 AEEERN CCCCN(C)C(C)(C)C#N 71495562 572831651 /nfs/dbraw/zinc/83/16/51/572831651.db2.gz XHBIJVCDKDMZII-UHFFFAOYSA-N 0 0 154.257 2.020 10 30 AEEERN C=CCCCOc1cncc(Cl)n1 85867166 572831679 /nfs/dbraw/zinc/83/16/79/572831679.db2.gz NUTYEQDKAIEYJU-UHFFFAOYSA-N 0 0 198.653 2.475 10 30 AEEERN CCc1ccc(OC)c([C@@H]2CO2)c1 71497449 572831893 /nfs/dbraw/zinc/83/18/93/572831893.db2.gz RQRSAFBWWUSPKM-NSHDSACASA-N 0 0 178.231 2.329 10 30 AEEERN C=C1[C@@H](O)[C@H](C)C[C@H]2[C@@H]1C2(C)C 306997678 572831900 /nfs/dbraw/zinc/83/19/00/572831900.db2.gz XDBANEONCZXWIQ-NEPJDUFXSA-N 0 0 166.264 2.216 10 30 AEEERN C#CC[N@@H+](C)[C@@H](C)c1ccc(C)o1 306970278 572831970 /nfs/dbraw/zinc/83/19/70/572831970.db2.gz QOLFCFWPDNPABL-JTQLQIEISA-N 0 0 177.247 2.214 10 30 AEEERN CCOc1ccccc1[C@H](O)CC#N 85878059 572831983 /nfs/dbraw/zinc/83/19/83/572831983.db2.gz NHZWRPXBDPGPQY-SNVBAGLBSA-N 0 0 191.230 2.032 10 30 AEEERN C[C@@H](CS)Cc1ccncc1 78010907 572832035 /nfs/dbraw/zinc/83/20/35/572832035.db2.gz XTBKEJHMVWNALF-MRVPVSSYSA-N 0 0 167.277 2.190 10 30 AEEERN C=CCCCOc1ccc(Cl)nn1 85867055 572832045 /nfs/dbraw/zinc/83/20/45/572832045.db2.gz JSXMUVMKZPNIHK-UHFFFAOYSA-N 0 0 198.653 2.475 10 30 AEEERN C/C=C/C#CC(=O)c1ccco1 306996383 572832047 /nfs/dbraw/zinc/83/20/47/572832047.db2.gz SMVLFGBPZHREFL-NSCUHMNNSA-N 0 0 160.172 2.042 10 30 AEEERN CC=CC(=O)Cc1nc(C)c(C)s1 308142706 572832053 /nfs/dbraw/zinc/83/20/53/572832053.db2.gz VMLBMWTWNTVHMO-PLNGDYQASA-N 0 0 195.287 2.448 10 30 AEEERN CCOc1cccc([C@H](O)CC#N)c1 85878090 572832202 /nfs/dbraw/zinc/83/22/02/572832202.db2.gz MZZSHRXTIJVSPG-LLVKDONJSA-N 0 0 191.230 2.032 10 30 AEEERN C=CCc1noc(/C=C\CC)n1 307951959 572832221 /nfs/dbraw/zinc/83/22/21/572832221.db2.gz OTNUYASDJVDYSU-ALCCZGGFSA-N 0 0 164.208 2.221 10 30 AEEERN CCCCCC[C@H](O)[C@@H](C)C#N 85892015 572834344 /nfs/dbraw/zinc/83/43/44/572834344.db2.gz GENPAXRWBCXXTO-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN C=CCc1noc(/C=C/CC)n1 307951960 572832245 /nfs/dbraw/zinc/83/22/45/572832245.db2.gz OTNUYASDJVDYSU-FNORWQNLSA-N 0 0 164.208 2.221 10 30 AEEERN C[C@H]([C@@H](O)C#CC1CC1)C(C)(C)C 306994091 572832340 /nfs/dbraw/zinc/83/23/40/572832340.db2.gz MPCBBJNIBFTKRS-KOLCDFICSA-N 0 0 180.291 2.443 10 30 AEEERN C=CCCCCC[C@@H](O)[C@H](O)C1CC1 236548913 572832372 /nfs/dbraw/zinc/83/23/72/572832372.db2.gz WYSTZTAXKFOXAM-VXGBXAGGSA-N 0 0 198.306 2.255 10 30 AEEERN C=CCCCOCCCC#N 85867251 572832382 /nfs/dbraw/zinc/83/23/82/572832382.db2.gz USGLKLSGAPTTMZ-UHFFFAOYSA-N 0 0 153.225 2.273 10 30 AEEERN C[C@@H](C[C@@H](O)CC#N)c1ccccc1 85878904 572832427 /nfs/dbraw/zinc/83/24/27/572832427.db2.gz MRFXVBSTNLLPDB-JQWIXIFHSA-N 0 0 189.258 2.455 10 30 AEEERN C=CCc1noc(C2(C)CCC2)n1 306966928 572832441 /nfs/dbraw/zinc/83/24/41/572832441.db2.gz OXLHWUGDYLSLAC-UHFFFAOYSA-N 0 0 178.235 2.240 10 30 AEEERN C=CCCCOc1nccnc1Cl 85867119 572832533 /nfs/dbraw/zinc/83/25/33/572832533.db2.gz SXKCAGFSQLQLPW-UHFFFAOYSA-N 0 0 198.653 2.475 10 30 AEEERN CCOc1ccc([C@H]2CO2)cc1C 71497456 572834358 /nfs/dbraw/zinc/83/43/58/572834358.db2.gz JTZUQGIIVPPROR-LLVKDONJSA-N 0 0 178.231 2.465 10 30 AEEERN C=CC(Cl)(Cl)[C@@H](O)CC 221932758 572832750 /nfs/dbraw/zinc/83/27/50/572832750.db2.gz CVJBMYJCYPEFTJ-YFKPBYRVSA-N 0 0 169.051 2.117 10 30 AEEERN CCC(O)(CC)[C@@](C)(C#N)CC 85881523 572832777 /nfs/dbraw/zinc/83/27/77/572832777.db2.gz AIAVRQQRENCWHE-SECBINFHSA-N 0 0 169.268 2.477 10 30 AEEERN C=CCCCOc1cc(Cl)ncn1 85867105 572832801 /nfs/dbraw/zinc/83/28/01/572832801.db2.gz XMIXFTGNSCFFIW-UHFFFAOYSA-N 0 0 198.653 2.475 10 30 AEEERN N#CC[C@H](O)c1cccc2cccnc12 85878972 572832808 /nfs/dbraw/zinc/83/28/08/572832808.db2.gz CVXIVKGBRUIZBK-NSHDSACASA-N 0 0 198.225 2.182 10 30 AEEERN C=CCOc1ccc(C=O)cc1C 85873917 572832826 /nfs/dbraw/zinc/83/28/26/572832826.db2.gz LXGAMMWRVGAHLS-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C=CCCCOc1cccc(C#N)n1 85867199 572832833 /nfs/dbraw/zinc/83/28/33/572832833.db2.gz NUXFRWUTPOODEW-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN C=CCCC[C@@H](O)C1(O)CCCCC1 236546059 572832889 /nfs/dbraw/zinc/83/28/89/572832889.db2.gz YOBWMGHKLBMQTJ-LLVKDONJSA-N 0 0 198.306 2.399 10 30 AEEERN C=CCCCOc1ccnc(Cl)n1 85867168 572832899 /nfs/dbraw/zinc/83/28/99/572832899.db2.gz AAQNMYKCXUYFRQ-UHFFFAOYSA-N 0 0 198.653 2.475 10 30 AEEERN N#CC[C@H](O)c1ccc2ccccc2n1 85879389 572832923 /nfs/dbraw/zinc/83/29/23/572832923.db2.gz UGRXMRBCFSOBNL-LBPRGKRZSA-N 0 0 198.225 2.182 10 30 AEEERN C=C1[C@@H]2CC[C@@](CO)(C2)C1(C)C 306951041 572832937 /nfs/dbraw/zinc/83/29/37/572832937.db2.gz LJYAIJBOBBLMBY-KOLCDFICSA-N 0 0 166.264 2.361 10 30 AEEERN N#Cc1ccccc1-c1cncc(N)c1 238581901 572833028 /nfs/dbraw/zinc/83/30/28/572833028.db2.gz ZUJPGPPCGOAIAN-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CCc1cc([C@@H]2CO2)ccc1OC 71497444 572834792 /nfs/dbraw/zinc/83/47/92/572834792.db2.gz DJUPDPQISYXWTC-NSHDSACASA-N 0 0 178.231 2.329 10 30 AEEERN CC[C@@H](C#N)[C@](O)(CC)C(C)C 85882285 572834793 /nfs/dbraw/zinc/83/47/93/572834793.db2.gz ZGULTZSUTJXZIK-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN C#CCCC1=C[C@H](O)C[C@H](C)C1 306932191 572833146 /nfs/dbraw/zinc/83/31/46/572833146.db2.gz CNKLADMGDLTNQG-MWLCHTKSSA-N 0 0 164.248 2.117 10 30 AEEERN CC(C)C[C@@H](C)[C@@H](O)CCC=O 307955205 572833186 /nfs/dbraw/zinc/83/31/86/572833186.db2.gz DZAFLPRRDBIRAJ-ZJUUUORDSA-N 0 0 172.268 2.009 10 30 AEEERN CC(C)Cc1ccc(C=NN)cc1 308142873 572833279 /nfs/dbraw/zinc/83/32/79/572833279.db2.gz JQYLEOZNASBQRS-UHFFFAOYSA-N 0 0 176.263 2.178 10 30 AEEERN C[C@H](C#N)[C@H](O)CCc1ccccc1 85890791 572833333 /nfs/dbraw/zinc/83/33/33/572833333.db2.gz DUNSROJNHRMBAD-ZYHUDNBSSA-N 0 0 189.258 2.140 10 30 AEEERN CC(C)C[C@@H](C)[C@H](O)CCC=O 307955200 572834949 /nfs/dbraw/zinc/83/49/49/572834949.db2.gz DZAFLPRRDBIRAJ-NXEZZACHSA-N 0 0 172.268 2.009 10 30 AEEERN CCC[C@H](C)[C@@H](O)C1(C#N)CCC1 85892263 572833526 /nfs/dbraw/zinc/83/35/26/572833526.db2.gz LTTVFEVKGLFILX-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)CC(C)(C)C 85892795 572833537 /nfs/dbraw/zinc/83/35/37/572833537.db2.gz BQFOUGFMTCUQTB-IUCAKERBSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@@H](C#N)[C@](O)(CC)C1CC1 85895261 572833548 /nfs/dbraw/zinc/83/35/48/572833548.db2.gz OFMIWMFSBFYBJH-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN CCCC[C@@H](O)[C@@H](C#N)CC 85891639 572833577 /nfs/dbraw/zinc/83/35/77/572833577.db2.gz GMGVJGQTOIRQRQ-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN C=C[C@H]1CC[C@@H](/C=C/CO)C1 306968478 572833587 /nfs/dbraw/zinc/83/35/87/572833587.db2.gz QYCSFVFBDAPGFI-FCVPOFOPSA-N 0 0 152.237 2.137 10 30 AEEERN C#CCNc1cccc([C@H](C)OC)c1 306994965 572833604 /nfs/dbraw/zinc/83/36/04/572833604.db2.gz OVIILIAXLVBLMU-JTQLQIEISA-N 0 0 189.258 2.439 10 30 AEEERN C=C[C@@H](C)[C@H]1C=C[C@@H](CO)CC1 306968339 572833619 /nfs/dbraw/zinc/83/36/19/572833619.db2.gz OFJKVRGVFMFSQQ-MXWKQRLJSA-N 0 0 166.264 2.383 10 30 AEEERN CC#CCCC(=O)c1ccc(C)cn1 306904701 572833659 /nfs/dbraw/zinc/83/36/59/572833659.db2.gz KENRROOJUXRCQN-UHFFFAOYSA-N 0 0 187.242 2.376 10 30 AEEERN C=C1[C@H]2CC[C@H](C[C@H]2O)C1(C)C 306969970 572833666 /nfs/dbraw/zinc/83/36/66/572833666.db2.gz QELFNJPVXIFMLF-OPRDCNLKSA-N 0 0 166.264 2.360 10 30 AEEERN CC#CCC[C@H](O)C1(SC)CC1 307955192 572833680 /nfs/dbraw/zinc/83/36/80/572833680.db2.gz DYPXCGWVLODWLV-VIFPVBQESA-N 0 0 184.304 2.046 10 30 AEEERN CCCC[C@@H](O)[C@](C)(C#N)CC 85891567 572833697 /nfs/dbraw/zinc/83/36/97/572833697.db2.gz MQTQNOUPVQKPSJ-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN CCCC[C@@H](O)[C@@](C)(C#N)CC 85891578 572833704 /nfs/dbraw/zinc/83/37/04/572833704.db2.gz MQTQNOUPVQKPSJ-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN CC[C@@](C)(C#N)[C@](O)(CC)C1CC1 85895217 572833709 /nfs/dbraw/zinc/83/37/09/572833709.db2.gz LRLMPYBIEBTJEL-QWRGUYRKSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)CC(C)C 85890436 572833723 /nfs/dbraw/zinc/83/37/23/572833723.db2.gz WTCKCNREEFAKKG-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@H](C#N)[C@](O)(CC)C(C)C 85882292 572833761 /nfs/dbraw/zinc/83/37/61/572833761.db2.gz ZGULTZSUTJXZIK-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@H](C)[C@@H](O)[C@](C)(C#N)CC 85888484 572833766 /nfs/dbraw/zinc/83/37/66/572833766.db2.gz ORBKDRGFMBWNQC-AEJSXWLSSA-N 0 0 169.268 2.333 10 30 AEEERN C[C@H](C#N)[C@@H](O)CCc1ccccc1 85890798 572834296 /nfs/dbraw/zinc/83/42/96/572834296.db2.gz DUNSROJNHRMBAD-PWSUYJOCSA-N 0 0 189.258 2.140 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)CC(C)C 85890425 572833790 /nfs/dbraw/zinc/83/37/90/572833790.db2.gz WTCKCNREEFAKKG-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN C[C@H]([C@H](O)C#CC1CC1)C(C)(C)C 306994092 572833808 /nfs/dbraw/zinc/83/38/08/572833808.db2.gz MPCBBJNIBFTKRS-MWLCHTKSSA-N 0 0 180.291 2.443 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)CC(C)C 85890421 572833817 /nfs/dbraw/zinc/83/38/17/572833817.db2.gz WTCKCNREEFAKKG-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN C=CC[C@@H](O)c1cc(C)cc(C)n1 306918847 572833818 /nfs/dbraw/zinc/83/38/18/572833818.db2.gz ASYHCDWWELHIQX-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN C=CC[C@]1(CO)C[C@H]2C=C[C@@H]1C2 306921103 572833828 /nfs/dbraw/zinc/83/38/28/572833828.db2.gz PDJDVITVQKQQQX-HBNTYKKESA-N 0 0 164.248 2.137 10 30 AEEERN CCCCC[C@@H](O)[C@@H](C)C#N 85892601 572833842 /nfs/dbraw/zinc/83/38/42/572833842.db2.gz DFSFHGCCTHCEPG-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@@H](C#N)[C@H](O)Cc1ccccc1 85890870 572833854 /nfs/dbraw/zinc/83/38/54/572833854.db2.gz NZLPPIPBMZGUFZ-NWDGAFQWSA-N 0 0 189.258 2.140 10 30 AEEERN CCC[C@H](C)[C@H](O)[C@H](C#N)CC 85892231 572833899 /nfs/dbraw/zinc/83/38/99/572833899.db2.gz NWWLXMCBHYODBH-GUBZILKMSA-N 0 0 169.268 2.333 10 30 AEEERN CCCC[C@H](O)[C@@H](C#N)CC 85891635 572833908 /nfs/dbraw/zinc/83/39/08/572833908.db2.gz GMGVJGQTOIRQRQ-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@@H](C#N)[C@@](O)(CC)C(C)C 85882280 572833942 /nfs/dbraw/zinc/83/39/42/572833942.db2.gz ZGULTZSUTJXZIK-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@H](C#N)[C@@](O)(CC)C1CC1 85895260 572833955 /nfs/dbraw/zinc/83/39/55/572833955.db2.gz OFMIWMFSBFYBJH-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN N#Cc1nccc2[nH]c3c(c12)CCCC3 238582869 572833990 /nfs/dbraw/zinc/83/39/90/572833990.db2.gz ODWIJGSYCIZCOE-UHFFFAOYSA-N 0 0 197.241 2.313 10 30 AEEERN C=CCC[C@@]1(O)CC[C@H]1C 306998629 572833995 /nfs/dbraw/zinc/83/39/95/572833995.db2.gz CIGCBJHJDMSOES-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN CC(C)C[C@H](C)[C@@H](O)CCC=O 307955202 572834010 /nfs/dbraw/zinc/83/40/10/572834010.db2.gz DZAFLPRRDBIRAJ-UWVGGRQHSA-N 0 0 172.268 2.009 10 30 AEEERN Cc1ccc(N(C)C[C@@H]2CO2)c(C)c1 49986421 572834013 /nfs/dbraw/zinc/83/40/13/572834013.db2.gz KRYCJTFQCUHJCF-LLVKDONJSA-N 0 0 191.274 2.138 10 30 AEEERN CCc1cc([C@H]2CO2)ccc1OC 71497446 572834052 /nfs/dbraw/zinc/83/40/52/572834052.db2.gz DJUPDPQISYXWTC-LLVKDONJSA-N 0 0 178.231 2.329 10 30 AEEERN CCCCC[C@@H](O)[C@@H](C#N)CC 85892628 572834132 /nfs/dbraw/zinc/83/41/32/572834132.db2.gz UAPXRLWWVIEQNX-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN CCCCC[C@@H](O)C(C)(C)C#N 85892597 572834145 /nfs/dbraw/zinc/83/41/45/572834145.db2.gz BGUKSRUKYQRUCJ-SECBINFHSA-N 0 0 169.268 2.477 10 30 AEEERN C=C[C@H](C)Nc1nccnc1C(F)F 306974275 572834166 /nfs/dbraw/zinc/83/41/66/572834166.db2.gz MCTSIHUJKFBOQZ-LURJTMIESA-N 0 0 199.204 2.401 10 30 AEEERN CCC(CC)[C@@H](O)C1(C#N)CCC1 85887259 572834226 /nfs/dbraw/zinc/83/42/26/572834226.db2.gz AYFVYTZAWSFBAS-SNVBAGLBSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C)[C@H](O)[C@](C)(C#N)CC 85888476 572834266 /nfs/dbraw/zinc/83/42/66/572834266.db2.gz ORBKDRGFMBWNQC-GUBZILKMSA-N 0 0 169.268 2.333 10 30 AEEERN CSCC[C@@H](O)C1(C#N)CCCC1 85891792 572834270 /nfs/dbraw/zinc/83/42/70/572834270.db2.gz YGJSVESZPODREG-SECBINFHSA-N 0 0 199.319 2.184 10 30 AEEERN C#CCSCc1cccc(C)n1 306948167 572834370 /nfs/dbraw/zinc/83/43/70/572834370.db2.gz RVTBPGZMMGKCIJ-UHFFFAOYSA-N 0 0 177.272 2.256 10 30 AEEERN C=CCCC(=O)O[C@@H]1CCSC1 307955148 572834389 /nfs/dbraw/zinc/83/43/89/572834389.db2.gz DVVHGCGNXJVSAR-MRVPVSSYSA-N 0 0 186.276 2.001 10 30 AEEERN CCCC[C@H](O)[C@@](C)(C#N)CC 85891572 572834592 /nfs/dbraw/zinc/83/45/92/572834592.db2.gz MQTQNOUPVQKPSJ-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN C=CC[C@H]1C(=O)[C@@H]2CC[C@H]1C2 306989930 572834594 /nfs/dbraw/zinc/83/45/94/572834594.db2.gz ICCDPZFFHSCTJZ-DJLDLDEBSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1cc(C)cc(N(C)C[C@@H]2CO2)c1 49986419 572834611 /nfs/dbraw/zinc/83/46/11/572834611.db2.gz ZABIAQUUGNCINF-GFCCVEGCSA-N 0 0 191.274 2.138 10 30 AEEERN CCC[C@@H](C)[C@H](O)C1(C#N)CCC1 85892255 572834634 /nfs/dbraw/zinc/83/46/34/572834634.db2.gz LTTVFEVKGLFILX-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)CCSC 85891760 572834644 /nfs/dbraw/zinc/83/46/44/572834644.db2.gz LHDDJBYBUSXMRL-IUCAKERBSA-N 0 0 187.308 2.040 10 30 AEEERN C[C@@H](C#N)[C@@H](O)CCc1ccccc1 85890796 572834656 /nfs/dbraw/zinc/83/46/56/572834656.db2.gz DUNSROJNHRMBAD-JQWIXIFHSA-N 0 0 189.258 2.140 10 30 AEEERN CCC(CC)[C@@H](O)[C@H](C#N)CC 85887222 572834661 /nfs/dbraw/zinc/83/46/61/572834661.db2.gz ZXXILUGXCLINQY-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@H](C#N)[C@H](O)Cc1ccccc1 85890873 572834697 /nfs/dbraw/zinc/83/46/97/572834697.db2.gz NZLPPIPBMZGUFZ-VXGBXAGGSA-N 0 0 189.258 2.140 10 30 AEEERN CCC[C@H](C)[C@@H](O)[C@H](C#N)CC 85892238 572835074 /nfs/dbraw/zinc/83/50/74/572835074.db2.gz NWWLXMCBHYODBH-LPEHRKFASA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@@H](C#N)[C@H](O)CC(C)(C)C 85892790 572834821 /nfs/dbraw/zinc/83/48/21/572834821.db2.gz BQFOUGFMTCUQTB-DTWKUNHWSA-N 0 0 169.268 2.333 10 30 AEEERN N#Cc1cncc(Oc2cccnc2)c1 118273424 572834850 /nfs/dbraw/zinc/83/48/50/572834850.db2.gz KJDORBUJCJGNJL-UHFFFAOYSA-N 0 0 197.197 2.141 10 30 AEEERN Cc1cc(C)cc(N(C)C[C@H]2CO2)c1 49986420 572834854 /nfs/dbraw/zinc/83/48/54/572834854.db2.gz ZABIAQUUGNCINF-LBPRGKRZSA-N 0 0 191.274 2.138 10 30 AEEERN CCC(CC)[C@H](O)C(C)(C)C#N 85887191 572835021 /nfs/dbraw/zinc/83/50/21/572835021.db2.gz TXDQAIBDNNMLKQ-VIFPVBQESA-N 0 0 169.268 2.333 10 30 AEEERN C=C[C@@H](c1ccco1)[C@@H](C)CO 307955173 572835038 /nfs/dbraw/zinc/83/50/38/572835038.db2.gz DXTRTDDLVFEXFO-DTWKUNHWSA-N 0 0 166.220 2.178 10 30 AEEERN CCC[C@H](C)[C@H](O)C1(C#N)CCC1 85892258 572835664 /nfs/dbraw/zinc/83/56/64/572835664.db2.gz LTTVFEVKGLFILX-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@@H](C)[C@@H](O)C(C)(C)C#N 85892177 572835084 /nfs/dbraw/zinc/83/50/84/572835084.db2.gz NQCLMKWTOHZPGV-RKDXNWHRSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@@](C)(C#N)[C@@](O)(CC)C1CC1 85895211 572835087 /nfs/dbraw/zinc/83/50/87/572835087.db2.gz LRLMPYBIEBTJEL-WDEREUQCSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCCC(=O)O[C@H]1CCSC1 307955149 572835097 /nfs/dbraw/zinc/83/50/97/572835097.db2.gz DVVHGCGNXJVSAR-QMMMGPOBSA-N 0 0 186.276 2.001 10 30 AEEERN C#CCCC1=C[C@@H](O)C[C@H](C)C1 306932190 572835114 /nfs/dbraw/zinc/83/51/14/572835114.db2.gz CNKLADMGDLTNQG-KOLCDFICSA-N 0 0 164.248 2.117 10 30 AEEERN CCCCC[C@@H](O)[C@H](C#N)CC 85892625 572835123 /nfs/dbraw/zinc/83/51/23/572835123.db2.gz UAPXRLWWVIEQNX-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN C#CCCC1=C[C@@H](O)C[C@@H](C)C1 306932192 572835129 /nfs/dbraw/zinc/83/51/29/572835129.db2.gz CNKLADMGDLTNQG-ONGXEEELSA-N 0 0 164.248 2.117 10 30 AEEERN C=C[C@H](c1ccco1)[C@@H](C)CO 307955175 572835144 /nfs/dbraw/zinc/83/51/44/572835144.db2.gz DXTRTDDLVFEXFO-IUCAKERBSA-N 0 0 166.220 2.178 10 30 AEEERN CC(C)C[C@H](C)[C@H](O)CCC=O 307955203 572835193 /nfs/dbraw/zinc/83/51/93/572835193.db2.gz DZAFLPRRDBIRAJ-VHSXEESVSA-N 0 0 172.268 2.009 10 30 AEEERN Cc1ccc(N(C)C[C@H]2CO2)c(C)c1 49986422 572835199 /nfs/dbraw/zinc/83/51/99/572835199.db2.gz KRYCJTFQCUHJCF-NSHDSACASA-N 0 0 191.274 2.138 10 30 AEEERN CCc1ccc([C@@H](O)[C@@H](C#N)CC)o1 85888696 572835215 /nfs/dbraw/zinc/83/52/15/572835215.db2.gz BSDBPSJCFMJUKT-KCJUWKMLSA-N 0 0 193.246 2.425 10 30 AEEERN CSCC[C@H](O)C1(C#N)CCCC1 85891789 572835758 /nfs/dbraw/zinc/83/57/58/572835758.db2.gz YGJSVESZPODREG-VIFPVBQESA-N 0 0 199.319 2.184 10 30 AEEERN C=CCC(=O)[C@H]1C[C@@H]1CC 306996647 572835266 /nfs/dbraw/zinc/83/52/66/572835266.db2.gz SXNCHKSOBNQQCK-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@]1(C)[C@@H](C)CCC[C@@H]1O 306997407 572835281 /nfs/dbraw/zinc/83/52/81/572835281.db2.gz WCRPQVPJYQVARM-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN CCN(CC#N)c1ccc(C)cc1 49986514 572835312 /nfs/dbraw/zinc/83/53/12/572835312.db2.gz BUXDINVTLQMRBR-UHFFFAOYSA-N 0 0 174.247 2.345 10 30 AEEERN CCc1ccc([C@H](O)[C@H](C#N)CC)o1 85888686 572835330 /nfs/dbraw/zinc/83/53/30/572835330.db2.gz BSDBPSJCFMJUKT-GZMMTYOYSA-N 0 0 193.246 2.425 10 30 AEEERN C=C[C@@H](c1ccco1)[C@H](C)CO 307955176 572835341 /nfs/dbraw/zinc/83/53/41/572835341.db2.gz DXTRTDDLVFEXFO-RKDXNWHRSA-N 0 0 166.220 2.178 10 30 AEEERN CC[C@H](C#N)[C@@H](O)Cc1ccccc1 85890883 572835668 /nfs/dbraw/zinc/83/56/68/572835668.db2.gz NZLPPIPBMZGUFZ-NEPJUHHUSA-N 0 0 189.258 2.140 10 30 AEEERN C=CCOC(=O)CCSC(F)F 308143013 572835399 /nfs/dbraw/zinc/83/53/99/572835399.db2.gz IHUAOJBHSINOPK-UHFFFAOYSA-N 0 0 196.218 2.062 10 30 AEEERN CCC[C@@H](C)[C@@H](O)C1(C#N)CCC1 85892262 572835404 /nfs/dbraw/zinc/83/54/04/572835404.db2.gz LTTVFEVKGLFILX-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN CCCC[C@H](O)C1(C#N)CCC1 85891654 572835407 /nfs/dbraw/zinc/83/54/07/572835407.db2.gz VZIHFLPOWLEDFP-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CCC[C@H](C)[C@H](O)C(C)(C)C#N 85892173 572835412 /nfs/dbraw/zinc/83/54/12/572835412.db2.gz NQCLMKWTOHZPGV-IUCAKERBSA-N 0 0 169.268 2.333 10 30 AEEERN CCCCC[C@H](O)[C@H](C)C#N 85892604 572835424 /nfs/dbraw/zinc/83/54/24/572835424.db2.gz DFSFHGCCTHCEPG-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CCCC[C@@H](O)[C@H](C#N)CC 85891631 572835475 /nfs/dbraw/zinc/83/54/75/572835475.db2.gz GMGVJGQTOIRQRQ-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN C[C@@H](C#N)[C@H](O)CCc1ccccc1 85890790 572835499 /nfs/dbraw/zinc/83/54/99/572835499.db2.gz DUNSROJNHRMBAD-CMPLNLGQSA-N 0 0 189.258 2.140 10 30 AEEERN CC[C@](O)(C1CC1)[C@@](C)(C#N)CC 85895219 572835507 /nfs/dbraw/zinc/83/55/07/572835507.db2.gz LRLMPYBIEBTJEL-MNOVXSKESA-N 0 0 181.279 2.477 10 30 AEEERN CCc1ccc([C@@H](O)[C@H](C#N)CC)o1 85888689 572835672 /nfs/dbraw/zinc/83/56/72/572835672.db2.gz BSDBPSJCFMJUKT-KWQFWETISA-N 0 0 193.246 2.425 10 30 AEEERN CCCCC[C@H](O)[C@@H](C)C#N 85892599 572835547 /nfs/dbraw/zinc/83/55/47/572835547.db2.gz DFSFHGCCTHCEPG-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)CCSC 85891762 572835552 /nfs/dbraw/zinc/83/55/52/572835552.db2.gz LHDDJBYBUSXMRL-DTWKUNHWSA-N 0 0 187.308 2.040 10 30 AEEERN CCCCCC[C@@H](O)[C@@H](C)C#N 85892017 572835677 /nfs/dbraw/zinc/83/56/77/572835677.db2.gz GENPAXRWBCXXTO-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN COc1ccc(/C(Cl)=N/O)cc1C 234862344 572835678 /nfs/dbraw/zinc/83/56/78/572835678.db2.gz PCWJSPITPAXGRS-LUAWRHEFSA-N 0 0 199.637 2.378 10 30 AEEERN CC[C@H](C#N)[C@@](O)(CC)C(C)C 85882283 572835680 /nfs/dbraw/zinc/83/56/80/572835680.db2.gz ZGULTZSUTJXZIK-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN CCCCC[C@H](O)[C@H](C#N)CC 85892624 572835598 /nfs/dbraw/zinc/83/55/98/572835598.db2.gz UAPXRLWWVIEQNX-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN CCC(CC)[C@]1(C=O)CCCOC1 317428559 572835640 /nfs/dbraw/zinc/83/56/40/572835640.db2.gz HDKZOLTYLPHPBX-NSHDSACASA-N 0 0 184.279 2.418 10 30 AEEERN CCc1ccc([C@H](O)[C@@H](C#N)CC)o1 85888692 572835650 /nfs/dbraw/zinc/83/56/50/572835650.db2.gz BSDBPSJCFMJUKT-LDYMZIIASA-N 0 0 193.246 2.425 10 30 AEEERN C=C1C[C@@]2(C)[C@@H](O)C[C@@H]1C2(C)C 306948373 572835658 /nfs/dbraw/zinc/83/56/58/572835658.db2.gz SQDRDDZCRQJCHW-QXEWZRGKSA-N 0 0 166.264 2.360 10 30 AEEERN CCC[C@@H](C)[C@H](O)C(C)(C)C#N 85892170 572835750 /nfs/dbraw/zinc/83/57/50/572835750.db2.gz NQCLMKWTOHZPGV-BDAKNGLRSA-N 0 0 169.268 2.333 10 30 AEEERN CC1(C[C@](C)(O)CC=O)CCCC1 308143180 572835757 /nfs/dbraw/zinc/83/57/57/572835757.db2.gz WCEHFOBFDULQKW-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN CCCCC[C@H](O)C(C)(C)C#N 85892594 572835772 /nfs/dbraw/zinc/83/57/72/572835772.db2.gz BGUKSRUKYQRUCJ-VIFPVBQESA-N 0 0 169.268 2.477 10 30 AEEERN CCC(CC)[C@@H](O)C(C)(C)C#N 85887194 572835974 /nfs/dbraw/zinc/83/59/74/572835974.db2.gz TXDQAIBDNNMLKQ-SECBINFHSA-N 0 0 169.268 2.333 10 30 AEEERN CCCCC[C@](C)(O)CCC=O 307956014 572836046 /nfs/dbraw/zinc/83/60/46/572836046.db2.gz FOBUGTUFQZRHKM-JTQLQIEISA-N 0 0 172.268 2.297 10 30 AEEERN CCCCCC[C@H](O)[C@H](C)C#N 85892023 572836069 /nfs/dbraw/zinc/83/60/69/572836069.db2.gz GENPAXRWBCXXTO-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)OC(C)C 307955729 572836098 /nfs/dbraw/zinc/83/60/98/572836098.db2.gz FMMGGXQLNXEHBR-IUCAKERBSA-N 0 0 170.252 2.396 10 30 AEEERN CCC(CC)[C@H](O)C1(C#N)CCC1 85887254 572836126 /nfs/dbraw/zinc/83/61/26/572836126.db2.gz AYFVYTZAWSFBAS-JTQLQIEISA-N 0 0 181.279 2.477 10 30 AEEERN CCC(CC)[C@@H](O)[C@@H](C#N)CC 85887231 572836190 /nfs/dbraw/zinc/83/61/90/572836190.db2.gz ZXXILUGXCLINQY-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@H](C#N)[C@H](O)CC(C)(C)C 85892793 572836204 /nfs/dbraw/zinc/83/62/04/572836204.db2.gz BQFOUGFMTCUQTB-RKDXNWHRSA-N 0 0 169.268 2.333 10 30 AEEERN CCCCC[C@@H](O)[C@H](C)C#N 85892606 572836221 /nfs/dbraw/zinc/83/62/21/572836221.db2.gz DFSFHGCCTHCEPG-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CCCC[C@@H](O)C1(C#N)CCC1 85891657 572836226 /nfs/dbraw/zinc/83/62/26/572836226.db2.gz VZIHFLPOWLEDFP-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H](C#N)[C@@](O)(CC)C1CC1 85895255 572836243 /nfs/dbraw/zinc/83/62/43/572836243.db2.gz OFMIWMFSBFYBJH-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)C=NOCCOC(C)C 307955637 572836277 /nfs/dbraw/zinc/83/62/77/572836277.db2.gz FEJSTVWJXPMXCO-UHFFFAOYSA-N 0 0 173.256 2.070 10 30 AEEERN CC[C@H](C#N)[C@](O)(CC)C1CC1 85895263 572836281 /nfs/dbraw/zinc/83/62/81/572836281.db2.gz OFMIWMFSBFYBJH-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN CCC(CC)[C@H](O)[C@@H](C#N)CC 85887227 572836284 /nfs/dbraw/zinc/83/62/84/572836284.db2.gz ZXXILUGXCLINQY-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H]1C[C@@H]1C 307955784 572836313 /nfs/dbraw/zinc/83/63/13/572836313.db2.gz REVBJARKYVKRHX-CIUDSAMLSA-N 0 0 168.236 2.150 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)CC(C)C 85890435 572836319 /nfs/dbraw/zinc/83/63/19/572836319.db2.gz WTCKCNREEFAKKG-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)OC(C)C 307955728 572836434 /nfs/dbraw/zinc/83/64/34/572836434.db2.gz FMMGGXQLNXEHBR-DTWKUNHWSA-N 0 0 170.252 2.396 10 30 AEEERN C=CCC[C@H](C)Sc1nc[nH]n1 307955813 572836446 /nfs/dbraw/zinc/83/64/46/572836446.db2.gz RGUZBENASCEGKA-ZETCQYMHSA-N 0 0 183.280 2.252 10 30 AEEERN C[C@H](C#N)[C@@H](C)NCC1(F)CCC1 308143226 572836457 /nfs/dbraw/zinc/83/64/57/572836457.db2.gz ABBQJHCHDSXKMX-RKDXNWHRSA-N 0 0 184.258 2.016 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 307955787 572836725 /nfs/dbraw/zinc/83/67/25/572836725.db2.gz REVBJARKYVKRHX-XHNCKOQMSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[N@@H+](CCF)[C@H](C)C(C)C 307957097 572836531 /nfs/dbraw/zinc/83/65/31/572836531.db2.gz GRRAFBNFGYAAQH-SNVBAGLBSA-N 0 0 173.275 2.488 10 30 AEEERN Cn1c(CC#N)cnc1-c1ccccc1 118357813 572836543 /nfs/dbraw/zinc/83/65/43/572836543.db2.gz HZKGBDDUSGWVST-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)OC(C)C 307955730 572836597 /nfs/dbraw/zinc/83/65/97/572836597.db2.gz FMMGGXQLNXEHBR-RKDXNWHRSA-N 0 0 170.252 2.396 10 30 AEEERN C#C/C(=C/CO)c1ccc(C)cc1 308148365 572836623 /nfs/dbraw/zinc/83/66/23/572836623.db2.gz FDTPYESUNZFSFB-FLIBITNWSA-N 0 0 172.227 2.004 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)OC(C)C 307955727 572836881 /nfs/dbraw/zinc/83/68/81/572836881.db2.gz FMMGGXQLNXEHBR-BDAKNGLRSA-N 0 0 170.252 2.396 10 30 AEEERN C#CCc1ccc(C(F)F)nc1 306967274 572836885 /nfs/dbraw/zinc/83/68/85/572836885.db2.gz GGQLFJGHFGIDET-UHFFFAOYSA-N 0 0 167.158 2.195 10 30 AEEERN CC[C@@H](C#N)N(C)c1ccccc1N 50015045 572836888 /nfs/dbraw/zinc/83/68/88/572836888.db2.gz NPADYIQAQNBMAM-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN CC(C)CON=C1CSC[C@@H]1C 307956895 572836942 /nfs/dbraw/zinc/83/69/42/572836942.db2.gz GMUMMHRJVYGBKW-QMMMGPOBSA-N 0 0 187.308 2.398 10 30 AEEERN CC1(C[C@@](C)(O)CC=O)CCCC1 308143181 572836971 /nfs/dbraw/zinc/83/69/71/572836971.db2.gz WCEHFOBFDULQKW-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN C[C@H](C#N)[C@H](C)NCC1(F)CCC1 308143223 572836978 /nfs/dbraw/zinc/83/69/78/572836978.db2.gz ABBQJHCHDSXKMX-BDAKNGLRSA-N 0 0 184.258 2.016 10 30 AEEERN C=C(C)CNN=C1C=C(C)CC1 307957056 572837002 /nfs/dbraw/zinc/83/70/02/572837002.db2.gz GOMULDXQCZLWAQ-UHFFFAOYSA-N 0 0 164.252 2.248 10 30 AEEERN CCCC[C@H](CC)C(=O)C(C#N)C#N 85975303 572837018 /nfs/dbraw/zinc/83/70/18/572837018.db2.gz NDFHJNLOGMDKFH-VIFPVBQESA-N 0 0 192.262 2.435 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)OC1CC1 307955770 572837019 /nfs/dbraw/zinc/83/70/19/572837019.db2.gz REBMQEXEYPEWSZ-YUMQZZPRSA-N 0 0 168.236 2.150 10 30 AEEERN CCCCC[C@@](C)(O)CCC=O 307956016 572837024 /nfs/dbraw/zinc/83/70/24/572837024.db2.gz FOBUGTUFQZRHKM-SNVBAGLBSA-N 0 0 172.268 2.297 10 30 AEEERN Cc1sc2nc(CC#N)cn2c1C 75395733 572837039 /nfs/dbraw/zinc/83/70/39/572837039.db2.gz FBZRHSUOKLDVSV-UHFFFAOYSA-N 0 0 191.259 2.079 10 30 AEEERN CCc1csc2nc(C)c(C#N)n12 75395715 572837159 /nfs/dbraw/zinc/83/71/59/572837159.db2.gz LCBYVUQQDRXCBI-UHFFFAOYSA-N 0 0 191.259 2.138 10 30 AEEERN C=C(C)CCOC(=O)C1CCC1 307957100 572837214 /nfs/dbraw/zinc/83/72/14/572837214.db2.gz GRUDVKMBXVBVKK-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H]1C[C@H]1C 307955786 572837307 /nfs/dbraw/zinc/83/73/07/572837307.db2.gz REVBJARKYVKRHX-VGMNWLOBSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[N@@H+](CCF)[C@@H](C)C(C)C 307957096 572837448 /nfs/dbraw/zinc/83/74/48/572837448.db2.gz GRRAFBNFGYAAQH-JTQLQIEISA-N 0 0 173.275 2.488 10 30 AEEERN SCCCCSc1ncc[nH]1 236578055 572837519 /nfs/dbraw/zinc/83/75/19/572837519.db2.gz YBEDIWLKLJPNHT-UHFFFAOYSA-N 0 0 188.321 2.212 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)OC1CC1 307955768 572837544 /nfs/dbraw/zinc/83/75/44/572837544.db2.gz REBMQEXEYPEWSZ-JGVFFNPUSA-N 0 0 168.236 2.150 10 30 AEEERN CC(=NNCC(C)C)C1CCC1 307956035 572837610 /nfs/dbraw/zinc/83/76/10/572837610.db2.gz FPARQONVZDDKMH-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN C[C@@H](CC(=O)C(C#N)C#N)C(C)(C)C 85975482 572837709 /nfs/dbraw/zinc/83/77/09/572837709.db2.gz QKAQXJGYUYATBN-QMMMGPOBSA-N 0 0 192.262 2.291 10 30 AEEERN N#Cc1ccc(CCCCC=O)cc1 118463662 572837738 /nfs/dbraw/zinc/83/77/38/572837738.db2.gz YURVAKMIVZPGHL-UHFFFAOYSA-N 0 0 187.242 2.470 10 30 AEEERN C=C(CC)CSCC#CCOC 307956271 572837867 /nfs/dbraw/zinc/83/78/67/572837867.db2.gz RMTCUCAMOBVIDY-UHFFFAOYSA-N 0 0 184.304 2.336 10 30 AEEERN C[C@@H](C#N)[C@@H](C)NCC1(F)CCC1 308143224 572837876 /nfs/dbraw/zinc/83/78/76/572837876.db2.gz ABBQJHCHDSXKMX-DTWKUNHWSA-N 0 0 184.258 2.016 10 30 AEEERN CC(C)CON=C1CSC[C@H]1C 307956893 572837877 /nfs/dbraw/zinc/83/78/77/572837877.db2.gz GMUMMHRJVYGBKW-MRVPVSSYSA-N 0 0 187.308 2.398 10 30 AEEERN CC#CCCSCCC1(O)CC1 307956346 572837894 /nfs/dbraw/zinc/83/78/94/572837894.db2.gz FVNFOBDYIANBAG-UHFFFAOYSA-N 0 0 184.304 2.048 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)OC1CC1 307955769 572837962 /nfs/dbraw/zinc/83/79/62/572837962.db2.gz REBMQEXEYPEWSZ-SFYZADRCSA-N 0 0 168.236 2.150 10 30 AEEERN CC(C)c1onc(C#N)c1Cl 75397574 572838032 /nfs/dbraw/zinc/83/80/32/572838032.db2.gz KSLTZGUAAAPMHL-UHFFFAOYSA-N 0 0 170.599 2.323 10 30 AEEERN Cc1csc2cc(CC#N)cn12 75396229 572838055 /nfs/dbraw/zinc/83/80/55/572838055.db2.gz DAFWGILRMCXUKP-UHFFFAOYSA-N 0 0 176.244 2.375 10 30 AEEERN C=CCC[C@@H](C)Sc1nc[nH]n1 307955812 572838167 /nfs/dbraw/zinc/83/81/67/572838167.db2.gz RGUZBENASCEGKA-SSDOTTSWSA-N 0 0 183.280 2.252 10 30 AEEERN C=C[C@H](C)Oc1ccc(C)nc1C=O 85973319 572838309 /nfs/dbraw/zinc/83/83/09/572838309.db2.gz PVHBJCOBGTUDEV-VIFPVBQESA-N 0 0 191.230 2.156 10 30 AEEERN Cc1nc2sc(C)c(C)n2c1C#N 75395714 572838366 /nfs/dbraw/zinc/83/83/66/572838366.db2.gz QOJNMKARLVWERL-UHFFFAOYSA-N 0 0 191.259 2.193 10 30 AEEERN SCCCCSc1ncco1 236578095 572838395 /nfs/dbraw/zinc/83/83/95/572838395.db2.gz YOROARSHRFKTPQ-UHFFFAOYSA-N 0 0 189.305 2.477 10 30 AEEERN OCCC/C=N\Cc1ccccc1 308148363 572838496 /nfs/dbraw/zinc/83/84/96/572838496.db2.gz FCLSMISNMDDMPV-WQLSENKSSA-N 0 0 177.247 2.030 10 30 AEEERN CC#CCC[C@@]1(O)CCCC[C@@H]1OC 234870217 572838526 /nfs/dbraw/zinc/83/85/26/572838526.db2.gz OEFZPYCWXMQMQX-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN CC[C@H](C#N)N(C)c1ccccc1N 50015046 572838554 /nfs/dbraw/zinc/83/85/54/572838554.db2.gz NPADYIQAQNBMAM-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN CCOc1ccc([C@@H]2CO2)cc1F 71499013 572838570 /nfs/dbraw/zinc/83/85/70/572838570.db2.gz LOBZOZORCNAHOE-JTQLQIEISA-N 0 0 182.194 2.296 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)OC1CC1 307955767 572838600 /nfs/dbraw/zinc/83/86/00/572838600.db2.gz REBMQEXEYPEWSZ-HTQZYQBOSA-N 0 0 168.236 2.150 10 30 AEEERN C=C(C)COC(=O)C(F)=C(C)C 307956414 572838605 /nfs/dbraw/zinc/83/86/05/572838605.db2.gz GBTJGLDCTUUXLR-UHFFFAOYSA-N 0 0 172.199 2.369 10 30 AEEERN SCCCSC[C@H]1CCCO1 236579505 572838606 /nfs/dbraw/zinc/83/86/06/572838606.db2.gz YJVSXDHWPUQEGM-MRVPVSSYSA-N 0 0 192.349 2.219 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@H]1C 307955785 572838669 /nfs/dbraw/zinc/83/86/69/572838669.db2.gz REVBJARKYVKRHX-HRDYMLBCSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@H](C)Oc1ccc(C)nc1C=O 85973324 572838671 /nfs/dbraw/zinc/83/86/71/572838671.db2.gz PVHBJCOBGTUDEV-SECBINFHSA-N 0 0 191.230 2.156 10 30 AEEERN Cc1csc2nc([C@H](C)C#N)cn12 75395666 572838741 /nfs/dbraw/zinc/83/87/41/572838741.db2.gz CEELIMAAPSLSMR-ZCFIWIBFSA-N 0 0 191.259 2.331 10 30 AEEERN Cc1csc2nc(CC#N)c(C)n12 75395697 572839231 /nfs/dbraw/zinc/83/92/31/572839231.db2.gz ORKMATVFFZOTFH-UHFFFAOYSA-N 0 0 191.259 2.079 10 30 AEEERN Cc1cc2scc(C)n2c1C#N 75396215 572838848 /nfs/dbraw/zinc/83/88/48/572838848.db2.gz FXKGZWNVULWNCI-UHFFFAOYSA-N 0 0 176.244 2.489 10 30 AEEERN Cc1csc2nc([C@@H](C)C#N)cn12 75395665 572838897 /nfs/dbraw/zinc/83/88/97/572838897.db2.gz CEELIMAAPSLSMR-LURJTMIESA-N 0 0 191.259 2.331 10 30 AEEERN CC(O)=C(C=O)CC(C)C 118568043 572838919 /nfs/dbraw/zinc/83/89/19/572838919.db2.gz OAGBQVWTJDKWMC-VMPITWQZSA-N 0 0 142.198 2.063 10 30 AEEERN NN=C1CCCCC12CCCC2 319888138 572838967 /nfs/dbraw/zinc/83/89/67/572838967.db2.gz CVJZNFBYKYPZKG-UHFFFAOYSA-N 0 0 166.268 2.436 10 30 AEEERN CCC(CC)=NN[C@H](C)C(F)F 307958319 572839028 /nfs/dbraw/zinc/83/90/28/572839028.db2.gz SZEVKRYRXBHXKC-ZCFIWIBFSA-N 0 0 178.226 2.406 10 30 AEEERN O=C(CCS)OCC1CCCC1 236572113 572839055 /nfs/dbraw/zinc/83/90/55/572839055.db2.gz ZHQVWOFLKCIYEG-UHFFFAOYSA-N 0 0 188.292 2.040 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C(C)=C\C 307957995 572839140 /nfs/dbraw/zinc/83/91/40/572839140.db2.gz STMXZVLQXQHTFX-XZLDQRQTSA-N 0 0 168.236 2.460 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C(C)=C/C 307957994 572839193 /nfs/dbraw/zinc/83/91/93/572839193.db2.gz STMXZVLQXQHTFX-ORZBULNSSA-N 0 0 168.236 2.460 10 30 AEEERN CCCC[C@@H](CC)C(=O)C(C#N)C#N 85975298 572839199 /nfs/dbraw/zinc/83/91/99/572839199.db2.gz NDFHJNLOGMDKFH-SECBINFHSA-N 0 0 192.262 2.435 10 30 AEEERN C=CC[C@@H](O)C(C1CC1)C1CC1 307957369 572839361 /nfs/dbraw/zinc/83/93/61/572839361.db2.gz GZPWPYKAYOQOHQ-SNVBAGLBSA-N 0 0 166.264 2.360 10 30 AEEERN C=C[C@@H]1C[C@@H](C)[C@@H](O)C1(C)C 306928258 572839379 /nfs/dbraw/zinc/83/93/79/572839379.db2.gz XKZREDVLDNDUAY-IWSPIJDZSA-N 0 0 154.253 2.216 10 30 AEEERN C/C=C(\C)[C@H](C)[C@@](C)(C#N)CO 307957439 572839450 /nfs/dbraw/zinc/83/94/50/572839450.db2.gz HFQVULLFMCTMOC-VCQGXKKCSA-N 0 0 167.252 2.111 10 30 AEEERN C=C[C@H](c1ccc(C#N)cc1)[C@H](C)O 306972836 572839481 /nfs/dbraw/zinc/83/94/81/572839481.db2.gz WIJJIMAXOVZSBQ-CABZTGNLSA-N 0 0 187.242 2.209 10 30 AEEERN CC(=NOCC(F)F)C1CCC1 307957817 572839617 /nfs/dbraw/zinc/83/96/17/572839617.db2.gz HNRHAFKYMPGVJW-UHFFFAOYSA-N 0 0 177.194 2.444 10 30 AEEERN CSC1(CN=NC(C)(C)C)CC1 308148647 572840829 /nfs/dbraw/zinc/84/08/29/572840829.db2.gz LRRJINWSPYORAJ-UHFFFAOYSA-N 0 0 186.324 2.256 10 30 AEEERN C=C[C@H](C)NC(=O)C1(C(C)C)CC1 308148821 572839927 /nfs/dbraw/zinc/83/99/27/572839927.db2.gz NFYTXILHGHZIJJ-VIFPVBQESA-N 0 0 181.279 2.113 10 30 AEEERN CC(C)Cc1onc(C#N)c1Cl 75397575 572839940 /nfs/dbraw/zinc/83/99/40/572839940.db2.gz MOQFLKDMVAWHOD-UHFFFAOYSA-N 0 0 184.626 2.398 10 30 AEEERN CCc1csc2nc(CC#N)cn12 75395734 572840001 /nfs/dbraw/zinc/84/00/01/572840001.db2.gz UCWGCYYUAXXTIM-UHFFFAOYSA-N 0 0 191.259 2.024 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C(C)=C/C 307957992 572840216 /nfs/dbraw/zinc/84/02/16/572840216.db2.gz STMXZVLQXQHTFX-BNICOGTQSA-N 0 0 168.236 2.460 10 30 AEEERN C=CCCCCC[C@H](CC[NH3+])C(=O)[O-] 236250893 572840340 /nfs/dbraw/zinc/84/03/40/572840340.db2.gz NBIZYLQWTCFMQI-SNVBAGLBSA-N 0 0 199.294 2.173 10 30 AEEERN C=CC[C@H](O)C(C1CC1)C1CC1 307957368 572840603 /nfs/dbraw/zinc/84/06/03/572840603.db2.gz GZPWPYKAYOQOHQ-JTQLQIEISA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)CN(C)C(=O)/C=C\C(C)C 308148792 572840610 /nfs/dbraw/zinc/84/06/10/572840610.db2.gz NDPJPDWIJWYNMB-SREVYHEPSA-N 0 0 181.279 2.233 10 30 AEEERN Cc1ccsc1[C@@H](O)CCC=O 307958033 572840797 /nfs/dbraw/zinc/84/07/97/572840797.db2.gz HRRLFBRNUJJPTG-QMMMGPOBSA-N 0 0 184.260 2.069 10 30 AEEERN C/C=C(\C)[C@H](C)[C@](C)(C#N)CO 307957438 572840988 /nfs/dbraw/zinc/84/09/88/572840988.db2.gz HFQVULLFMCTMOC-AIYFBYTFSA-N 0 0 167.252 2.111 10 30 AEEERN C=C[C@@H](C)NC(=O)C1(C(C)C)CC1 308148820 572840989 /nfs/dbraw/zinc/84/09/89/572840989.db2.gz NFYTXILHGHZIJJ-SECBINFHSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)CN(C)C(=O)/C=C/C(C)C 308148793 572841161 /nfs/dbraw/zinc/84/11/61/572841161.db2.gz NDPJPDWIJWYNMB-VOTSOKGWSA-N 0 0 181.279 2.233 10 30 AEEERN CCC(CC)=NN[C@@H](C)C(F)F 307958318 572841189 /nfs/dbraw/zinc/84/11/89/572841189.db2.gz SZEVKRYRXBHXKC-LURJTMIESA-N 0 0 178.226 2.406 10 30 AEEERN C=C(C)CNc1cnn(C)c1C1CC1 306969185 572841193 /nfs/dbraw/zinc/84/11/93/572841193.db2.gz RQXKXHLWQPAUGZ-UHFFFAOYSA-N 0 0 191.278 2.286 10 30 AEEERN Cc1ccsc1[C@H](O)CCC=O 307958032 572841844 /nfs/dbraw/zinc/84/18/44/572841844.db2.gz HRRLFBRNUJJPTG-MRVPVSSYSA-N 0 0 184.260 2.069 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)N(C)C1CC1 308149447 572842228 /nfs/dbraw/zinc/84/22/28/572842228.db2.gz NMEANONZAQJCGJ-RKDXNWHRSA-N 0 0 181.279 2.065 10 30 AEEERN COc1cc(C)cc(C)c1C[C@H]1CO1 234875191 572842306 /nfs/dbraw/zinc/84/23/06/572842306.db2.gz MEMDCJCQWAYVGO-JTQLQIEISA-N 0 0 192.258 2.253 10 30 AEEERN CC(C)CC=NN[C@H]1CCSC1 307954752 572842333 /nfs/dbraw/zinc/84/23/33/572842333.db2.gz DMCNZQMVLAYJDR-VIFPVBQESA-N 0 0 186.324 2.113 10 30 AEEERN CCC1(CN(C)CC#N)CCC1 307958751 572842492 /nfs/dbraw/zinc/84/24/92/572842492.db2.gz IHFJSASSZJTCRK-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)N(C)C1CC1 308149444 572843067 /nfs/dbraw/zinc/84/30/67/572843067.db2.gz NMEANONZAQJCGJ-BDAKNGLRSA-N 0 0 181.279 2.065 10 30 AEEERN CC[C@H](C=O)c1cc(C(C)C)nn1C 107183733 572842927 /nfs/dbraw/zinc/84/29/27/572842927.db2.gz GUTJNUMOHYSZLZ-SECBINFHSA-N 0 0 194.278 2.236 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)NCC(=C)C 308150365 572842952 /nfs/dbraw/zinc/84/29/52/572842952.db2.gz NXFIZAMHYNVUQM-NXEZZACHSA-N 0 0 181.279 2.137 10 30 AEEERN C=CCCOC(=O)/C=C\C(C)C 307958502 572843073 /nfs/dbraw/zinc/84/30/73/572843073.db2.gz IDUDLOILBNJREK-SREVYHEPSA-N 0 0 168.236 2.318 10 30 AEEERN C#CC[C@@H](C)OC(=O)CC(C)(C)C 308149859 572843129 /nfs/dbraw/zinc/84/31/29/572843129.db2.gz NSJHIISEQVZTNO-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN C#CC[C@H](C)OC(=O)C1=CCCC1 308149885 572843155 /nfs/dbraw/zinc/84/31/55/572843155.db2.gz NUFDKTMRZUDVCX-VIFPVBQESA-N 0 0 178.231 2.052 10 30 AEEERN C#CC[C@]12CCC[C@]13C[C@@H]3[C@@H](O)CC2 306926881 572843196 /nfs/dbraw/zinc/84/31/96/572843196.db2.gz RLFYJLPVQYEQAL-YVECIDJPSA-N 0 0 190.286 2.341 10 30 AEEERN CCC/C=C\[C@]1(C)O[C@H]1[C@H](C)CO 308150087 572843520 /nfs/dbraw/zinc/84/35/20/572843520.db2.gz HHSSIEMIRPCTIB-NAUFCTJHSA-N 0 0 184.279 2.129 10 30 AEEERN C#CCn1c(NCC)nc2ccccc21 75416507 572843424 /nfs/dbraw/zinc/84/34/24/572843424.db2.gz XQFYKOMOMIMABV-UHFFFAOYSA-N 0 0 199.257 2.101 10 30 AEEERN CCC/C=C/[C@]1(C)O[C@H]1[C@H](C)CO 308150086 572843485 /nfs/dbraw/zinc/84/34/85/572843485.db2.gz HHSSIEMIRPCTIB-KNZXHDMPSA-N 0 0 184.279 2.129 10 30 AEEERN C#CCCC/C=C/C=C/C=C\CO 308150873 572843557 /nfs/dbraw/zinc/84/35/57/572843557.db2.gz HTTZTCLARNGQQW-ZUGARUELSA-N 0 0 176.259 2.451 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)NCC(=C)C 308150366 572843760 /nfs/dbraw/zinc/84/37/60/572843760.db2.gz NXFIZAMHYNVUQM-UWVGGRQHSA-N 0 0 181.279 2.137 10 30 AEEERN C#CC[C@@H](C)OC(=O)C1=CCCC1 308149884 572843815 /nfs/dbraw/zinc/84/38/15/572843815.db2.gz NUFDKTMRZUDVCX-SECBINFHSA-N 0 0 178.231 2.052 10 30 AEEERN C#C[C@@H](O)[C@]1(C)CC[C@H](C)C1(C)C 306997188 572843824 /nfs/dbraw/zinc/84/38/24/572843824.db2.gz VJGYSQCWXDLACE-UMNHJUIQSA-N 0 0 180.291 2.443 10 30 AEEERN C#CC[C@H](C)OC(=O)CC(C)(C)C 308149860 572843899 /nfs/dbraw/zinc/84/38/99/572843899.db2.gz NSJHIISEQVZTNO-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN CC/C=C\C(=O)c1nccn1CC 308149324 572844016 /nfs/dbraw/zinc/84/40/16/572844016.db2.gz GHMZTCGUIMZZBC-WAYWQWQTSA-N 0 0 178.235 2.052 10 30 AEEERN C=CCOCCn1c(C)ccc1C 308150317 572844197 /nfs/dbraw/zinc/84/41/97/572844197.db2.gz QNJJXOOROXJJBM-UHFFFAOYSA-N 0 0 179.263 2.308 10 30 AEEERN Cc1cc([C@H](C=O)CC(C)C)n(C)n1 107183737 572844277 /nfs/dbraw/zinc/84/42/77/572844277.db2.gz GWKFDTPRIVIUPQ-JTQLQIEISA-N 0 0 194.278 2.057 10 30 AEEERN C#CCNc1cccc([C@@H](C)OC)c1 306994966 572844321 /nfs/dbraw/zinc/84/43/21/572844321.db2.gz OVIILIAXLVBLMU-SNVBAGLBSA-N 0 0 189.258 2.439 10 30 AEEERN C=CCCOC(=O)/C=C/C(C)C 307958503 572844322 /nfs/dbraw/zinc/84/43/22/572844322.db2.gz IDUDLOILBNJREK-VOTSOKGWSA-N 0 0 168.236 2.318 10 30 AEEERN CCC/C=C\[C@]1(C)O[C@@H]1[C@H](C)CO 308150088 572844457 /nfs/dbraw/zinc/84/44/57/572844457.db2.gz HHSSIEMIRPCTIB-RYBAECRDSA-N 0 0 184.279 2.129 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)N(C)C1CC1 308149445 572844480 /nfs/dbraw/zinc/84/44/80/572844480.db2.gz NMEANONZAQJCGJ-DTWKUNHWSA-N 0 0 181.279 2.065 10 30 AEEERN C=C(C)CC(=O)Cc1ccccn1 86022302 572844506 /nfs/dbraw/zinc/84/45/06/572844506.db2.gz UELIVWRNCWNNKA-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN C=CCc1cccc(Cl)n1 306912503 572844717 /nfs/dbraw/zinc/84/47/17/572844717.db2.gz MYHVHFHTQYNAPQ-UHFFFAOYSA-N 0 0 153.612 2.464 10 30 AEEERN C#CCCc1ccc(C(=O)OC)cc1 75421441 572844778 /nfs/dbraw/zinc/84/47/78/572844778.db2.gz OMAFVRRPTNKCSR-UHFFFAOYSA-N 0 0 188.226 2.039 10 30 AEEERN C=C([C@@H](N)c1ccco1)C(F)(F)F 306971629 572844754 /nfs/dbraw/zinc/84/47/54/572844754.db2.gz SRNREAOOOYWOIT-SSDOTTSWSA-N 0 0 191.152 2.398 10 30 AEEERN C=C(C)C(=O)Cc1ccccc1OC 86022412 572845023 /nfs/dbraw/zinc/84/50/23/572845023.db2.gz GAIKTGAXLSTBDN-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN C=C(C)CC(=O)Cc1cccnc1 86022669 572845140 /nfs/dbraw/zinc/84/51/40/572845140.db2.gz YVBMUOOJQJNXEV-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN C#CC[C@H](CC)C(=O)OCC(C)C 75421416 572845164 /nfs/dbraw/zinc/84/51/64/572845164.db2.gz QGVOOJQIROHEHY-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN C#C/C(=C\[C@@H](C)O)c1ccccc1 308152611 572845285 /nfs/dbraw/zinc/84/52/85/572845285.db2.gz JSLRCSBJEACSCJ-OYVNLZQHSA-N 0 0 172.227 2.084 10 30 AEEERN C=C(COC)[C@@]1(O)CCCC12CCC2 306985905 572845293 /nfs/dbraw/zinc/84/52/93/572845293.db2.gz OBZLHWTURRJVHF-LBPRGKRZSA-N 0 0 196.290 2.274 10 30 AEEERN C#CCCC(=O)OCCCCC 75421400 572845316 /nfs/dbraw/zinc/84/53/16/572845316.db2.gz IEXPSQFFAURXBZ-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN C#CCOC(=O)C[C@H](CC)C(C)C 308152725 572845409 /nfs/dbraw/zinc/84/54/09/572845409.db2.gz ADCXKWUWUPVGFV-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN CC(CCC(F)(F)F)=NNC1CC1 308151837 572845418 /nfs/dbraw/zinc/84/54/18/572845418.db2.gz OVZNEKZTVHMGJD-UHFFFAOYSA-N 0 0 194.200 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OC1CC1 307963479 572845468 /nfs/dbraw/zinc/84/54/68/572845468.db2.gz OLUWJFKJNNEVRY-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C#CCCc1ccc(OC)cc1OC 75421209 572845584 /nfs/dbraw/zinc/84/55/84/572845584.db2.gz PNMGNMPWRNPGJW-UHFFFAOYSA-N 0 0 190.242 2.270 10 30 AEEERN C#CCCc1cc(OC)ccc1OC 75421210 572845617 /nfs/dbraw/zinc/84/56/17/572845617.db2.gz LFPULSUUXOGARE-UHFFFAOYSA-N 0 0 190.242 2.270 10 30 AEEERN C#CCCC(=O)N(CCC)CCC 75421354 572845624 /nfs/dbraw/zinc/84/56/24/572845624.db2.gz SMGWRQSUPHHZJW-UHFFFAOYSA-N 0 0 181.279 2.048 10 30 AEEERN C#CCN(CC)c1cc(N)ccc1C 306982078 572845700 /nfs/dbraw/zinc/84/57/00/572845700.db2.gz QYWPDKBMZVZKTM-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN SCCCCc1ccc[nH]1 77260883 572845762 /nfs/dbraw/zinc/84/57/62/572845762.db2.gz PFXYTKAJJRTTFR-UHFFFAOYSA-N 0 0 155.266 2.267 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OC1CC1 307963478 572845835 /nfs/dbraw/zinc/84/58/35/572845835.db2.gz OLUWJFKJNNEVRY-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C#C[C@H](O)[C@H](/C(C)=C\C=C)C(C)C 308153057 572845844 /nfs/dbraw/zinc/84/58/44/572845844.db2.gz JXVTTXGNGJXODM-RVWWTBQBSA-N 0 0 178.275 2.385 10 30 AEEERN C#CCCC(=O)N(C)C1CCCCC1 75421363 572845862 /nfs/dbraw/zinc/84/58/62/572845862.db2.gz LAPIXQYSMHAMFO-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN COc1cc(C#N)nc2cc(C)ccc12 77255678 572845917 /nfs/dbraw/zinc/84/59/17/572845917.db2.gz DQEHYVNQARVVEL-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN COc1cc(C#N)nc2ccc(C)cc12 77255419 572846045 /nfs/dbraw/zinc/84/60/45/572846045.db2.gz FUXVPTGXHKLNEO-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN C[C@@H]([C@@H](O)C#CC1CC1)C(C)(C)C 306994093 572848505 /nfs/dbraw/zinc/84/85/05/572848505.db2.gz MPCBBJNIBFTKRS-ONGXEEELSA-N 0 0 180.291 2.443 10 30 AEEERN Cc1cc(C)c2c(C#N)cc(=O)[nH]c2c1 77256057 572847256 /nfs/dbraw/zinc/84/72/56/572847256.db2.gz LQSDPOPJOZORGJ-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN Cc1cc2[nH]c(C#N)cc(=O)c2cc1C 77255447 572846206 /nfs/dbraw/zinc/84/62/06/572846206.db2.gz LTEZXKWTDMFJFC-UHFFFAOYSA-N 0 0 198.225 2.429 10 30 AEEERN C#CCCc1cccc(C(=O)OC)c1 75421456 572846291 /nfs/dbraw/zinc/84/62/91/572846291.db2.gz COOUSXGIRMFELC-UHFFFAOYSA-N 0 0 188.226 2.039 10 30 AEEERN C[C@@H](C1CC1)N(CC#N)CC1CC1 308152199 572846292 /nfs/dbraw/zinc/84/62/92/572846292.db2.gz OZLAPQCYPXTOAX-VIFPVBQESA-N 0 0 178.279 2.020 10 30 AEEERN C#CC[C@@H](C)C(=O)OCCC(C)C 75421411 572846380 /nfs/dbraw/zinc/84/63/80/572846380.db2.gz MVMMVNYLHYOAGU-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C#C/C(=C\[C@H](C)O)c1ccccc1 308152614 572846392 /nfs/dbraw/zinc/84/63/92/572846392.db2.gz JSLRCSBJEACSCJ-SPQRFVMMSA-N 0 0 172.227 2.084 10 30 AEEERN Cc1cc(C)c2c(=O)cc(C#N)[nH]c2c1 77255498 572846409 /nfs/dbraw/zinc/84/64/09/572846409.db2.gz YWQLFTWNHFTXBL-UHFFFAOYSA-N 0 0 198.225 2.429 10 30 AEEERN Cc1ccc2c(=O)cc(C#N)[nH]c2c1C 77255576 572846445 /nfs/dbraw/zinc/84/64/45/572846445.db2.gz YSJPPMQNIXIUQK-UHFFFAOYSA-N 0 0 198.225 2.429 10 30 AEEERN C#CCCc1ccc(OC)c(OC)c1 75421194 572846460 /nfs/dbraw/zinc/84/64/60/572846460.db2.gz AFDQRYKRAOPERY-UHFFFAOYSA-N 0 0 190.242 2.270 10 30 AEEERN CC#C[C@@H](O)[C@H](C)CC(C)C 306991010 572846482 /nfs/dbraw/zinc/84/64/82/572846482.db2.gz URBJUZHNYVLLQW-NXEZZACHSA-N 0 0 154.253 2.053 10 30 AEEERN C=C(CCCC)[C@H](O)/C(C)=C\CO 308152512 572846537 /nfs/dbraw/zinc/84/65/37/572846537.db2.gz JJLYPJGBRGQOCJ-BRNRAETOSA-N 0 0 184.279 2.032 10 30 AEEERN C=C(C)CC(=O)N(C)[C@@H](C)CC 307959442 572846575 /nfs/dbraw/zinc/84/65/75/572846575.db2.gz UXCBJAWXCIFCBA-VIFPVBQESA-N 0 0 169.268 2.210 10 30 AEEERN C=CC[C@@]12CCC[C@@](C)(C[C@@H](O)C1)O2 306938926 572846592 /nfs/dbraw/zinc/84/65/92/572846592.db2.gz GQQYYVGROHPQQN-GRYCIOLGSA-N 0 0 196.290 2.415 10 30 AEEERN Cc1cc(C)c2[nH]c(=O)cc(C#N)c2c1 77256054 572846666 /nfs/dbraw/zinc/84/66/66/572846666.db2.gz MIHGMWHNBFOJDE-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN Cc1cc2[nH]c(=O)cc(C#N)c2cc1C 77256051 572846701 /nfs/dbraw/zinc/84/67/01/572846701.db2.gz QUAJYPZFKWGXKD-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN CCc1ccc2[nH]c(C#N)cc(=O)c2c1 77255938 572846725 /nfs/dbraw/zinc/84/67/25/572846725.db2.gz BEFZSTZSWJVARU-UHFFFAOYSA-N 0 0 198.225 2.374 10 30 AEEERN C=C(C)[C@H](O)c1ccc(COC)cc1 86021687 572846860 /nfs/dbraw/zinc/84/68/60/572846860.db2.gz ANFAWFOKRIIGLT-LBPRGKRZSA-N 0 0 192.258 2.443 10 30 AEEERN C=C(C)[C@H](O)c1ccccc1COC 86021670 572847003 /nfs/dbraw/zinc/84/70/03/572847003.db2.gz DUMZMYBFARCDAH-LBPRGKRZSA-N 0 0 192.258 2.443 10 30 AEEERN C=C(C)[C@@H](NCCC)c1ncccn1 86027330 572847112 /nfs/dbraw/zinc/84/71/12/572847112.db2.gz KHXBURZYSWLJFH-SNVBAGLBSA-N 0 0 191.278 2.093 10 30 AEEERN C[C@@H](CC#N)OC(=O)CC1CCC1 308151809 572847167 /nfs/dbraw/zinc/84/71/67/572847167.db2.gz OUSZIQITIXKBQS-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN COc1cc(C#N)nc2c(C)cccc12 77255551 572847173 /nfs/dbraw/zinc/84/71/73/572847173.db2.gz OAMPFMMALSVAGP-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN Cc1ccc(C)c2c(=O)cc(C#N)[nH]c12 77255525 572847198 /nfs/dbraw/zinc/84/71/98/572847198.db2.gz LBKRLDPAQVZZOS-UHFFFAOYSA-N 0 0 198.225 2.429 10 30 AEEERN C=C[C@H](C#N)OC(=O)CCC(C)C 308151392 572847242 /nfs/dbraw/zinc/84/72/42/572847242.db2.gz OQHSCLURMHKLJS-SECBINFHSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(CC)C[C@@H]1COC(C)(C)[C@H]1O 306933578 572847252 /nfs/dbraw/zinc/84/72/52/572847252.db2.gz DNZMDHPFLAWXQL-ZJUUUORDSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1ccc(C)c2c(C#N)cc(=O)[nH]c12 77256060 572847475 /nfs/dbraw/zinc/84/74/75/572847475.db2.gz RSQHRHCCLQGTFE-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN C[C@H](C1CC1)N(CC#N)CC1CC1 308152196 572847488 /nfs/dbraw/zinc/84/74/88/572847488.db2.gz OZLAPQCYPXTOAX-SECBINFHSA-N 0 0 178.279 2.020 10 30 AEEERN Cc1ccc2c(C#N)cc(=O)[nH]c2c1C 77256065 572847552 /nfs/dbraw/zinc/84/75/52/572847552.db2.gz HAMILYDTYYFDRZ-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN C=C[C@@H](C#N)OC(=O)CCC(C)C 308151393 572847659 /nfs/dbraw/zinc/84/76/59/572847659.db2.gz OQHSCLURMHKLJS-VIFPVBQESA-N 0 0 181.235 2.044 10 30 AEEERN C[C@H](CC#N)OC(=O)CC1CCC1 308151807 572847671 /nfs/dbraw/zinc/84/76/71/572847671.db2.gz OUSZIQITIXKBQS-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN Cc1ccc(C2(C#N)CC(=O)C2)cc1C 86035090 572847735 /nfs/dbraw/zinc/84/77/35/572847735.db2.gz VWSAXRDNARRZOA-UHFFFAOYSA-N 0 0 199.253 2.428 10 30 AEEERN C#C[C@H](O)[C@@H](/C(C)=C\C=C)C(C)C 308152651 572847762 /nfs/dbraw/zinc/84/77/62/572847762.db2.gz JXVTTXGNGJXODM-NVSPSJGQSA-N 0 0 178.275 2.385 10 30 AEEERN C=C(C)C[C@@H](O)COc1ccccc1 86059938 572847859 /nfs/dbraw/zinc/84/78/59/572847859.db2.gz PXYQRNRGFUUVHR-LLVKDONJSA-N 0 0 192.258 2.393 10 30 AEEERN C#CCc1cnc(Cl)c(F)c1 306920010 572847863 /nfs/dbraw/zinc/84/78/63/572847863.db2.gz LJRMYDCSDXQFJR-UHFFFAOYSA-N 0 0 169.586 2.050 10 30 AEEERN C=C(C)C[C@H](O)Cc1nc(C)cs1 86059956 572847968 /nfs/dbraw/zinc/84/79/68/572847968.db2.gz YZCGCZPMTDRQRO-VIFPVBQESA-N 0 0 197.303 2.321 10 30 AEEERN Cc1cc(C)cc(C2(C#N)CC(=O)C2)c1 86035040 572848231 /nfs/dbraw/zinc/84/82/31/572848231.db2.gz WJHHJQBMQURBMV-UHFFFAOYSA-N 0 0 199.253 2.428 10 30 AEEERN C=C(C)C[C@H](O)COc1ccccc1 86059937 572848405 /nfs/dbraw/zinc/84/84/05/572848405.db2.gz PXYQRNRGFUUVHR-NSHDSACASA-N 0 0 192.258 2.393 10 30 AEEERN C[C@@H]1C[C@@H]1CNN=CC(C)(C)C 307960416 572848467 /nfs/dbraw/zinc/84/84/67/572848467.db2.gz VZWMMVYHVPTQEX-RKDXNWHRSA-N 0 0 168.284 2.264 10 30 AEEERN C=CCCOC(=O)C[C@@H]1C[C@H]1C 307960229 572848495 /nfs/dbraw/zinc/84/84/95/572848495.db2.gz VSZRDKGINFCGCR-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN CC(C)c1csc(N=CN(C)C)n1 308144514 572848593 /nfs/dbraw/zinc/84/85/93/572848593.db2.gz KVMONLBILVJVNJ-UHFFFAOYSA-N 0 0 197.307 2.488 10 30 AEEERN COc1ccc2c(C)nc(C#N)cc2c1 77256523 572849540 /nfs/dbraw/zinc/84/95/40/572849540.db2.gz CFRSUHODVVYFOX-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CCN(C)N=C[C@@H]1CCCSC1 307959641 572848885 /nfs/dbraw/zinc/84/88/85/572848885.db2.gz VFNIWFCBJROVCJ-VIFPVBQESA-N 0 0 186.324 2.067 10 30 AEEERN CC(C)C(=NNCC1CC1)C1CC1 308144972 572848910 /nfs/dbraw/zinc/84/89/10/572848910.db2.gz LGGYJOWUXVZZDM-UHFFFAOYSA-N 0 0 180.295 2.408 10 30 AEEERN C=C(C)C[C@H](O)CSCCC 86060106 572848945 /nfs/dbraw/zinc/84/89/45/572848945.db2.gz BMPNKKDPLFQZPM-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=C(C)C[C@@H](O)Cc1nc(C)cs1 86059954 572849059 /nfs/dbraw/zinc/84/90/59/572849059.db2.gz YZCGCZPMTDRQRO-SECBINFHSA-N 0 0 197.303 2.321 10 30 AEEERN CC(=NNC(C)(C)C)C(F)(F)F 307960389 572849082 /nfs/dbraw/zinc/84/90/82/572849082.db2.gz KHLOCIYCKHIDLU-UHFFFAOYSA-N 0 0 182.189 2.313 10 30 AEEERN CC[C@H](CC#N)N(C)CCOC(C)C 87977667 572849200 /nfs/dbraw/zinc/84/92/00/572849200.db2.gz LYCSBXJBGZLHJQ-LLVKDONJSA-N 0 0 198.310 2.035 10 30 AEEERN C=C(C)C[C@@H](O)CSCCC 86060103 572849226 /nfs/dbraw/zinc/84/92/26/572849226.db2.gz BMPNKKDPLFQZPM-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN C=C(C)C[C@H](O)CSC(C)C 86060112 572849344 /nfs/dbraw/zinc/84/93/44/572849344.db2.gz QFIZFHNTLNKGJD-VIFPVBQESA-N 0 0 174.309 2.455 10 30 AEEERN C=C(C)C[C@H](O)Cc1csc(C)n1 86059962 572849563 /nfs/dbraw/zinc/84/95/63/572849563.db2.gz UOBLZXYPLUPUIR-JTQLQIEISA-N 0 0 197.303 2.321 10 30 AEEERN C=CCCOC(=O)C[C@@H]1C[C@@H]1C 307960232 572849801 /nfs/dbraw/zinc/84/98/01/572849801.db2.gz VSZRDKGINFCGCR-IUCAKERBSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCCC(=O)O[C@@]1(C)C[C@H]1C 307959731 572849806 /nfs/dbraw/zinc/84/98/06/572849806.db2.gz VJAUCEWPTGEBHK-SCZZXKLOSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@H]1C[C@H]1CNN=CC(C)(C)C 307960415 572849812 /nfs/dbraw/zinc/84/98/12/572849812.db2.gz VZWMMVYHVPTQEX-IUCAKERBSA-N 0 0 168.284 2.264 10 30 AEEERN C=CCCOC(=O)C[C@H]1C[C@H]1C 307960234 572849856 /nfs/dbraw/zinc/84/98/56/572849856.db2.gz VSZRDKGINFCGCR-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCOC(=O)C1(C(C)C)CC1 307960323 572850842 /nfs/dbraw/zinc/85/08/42/572850842.db2.gz KCOVXRVBYAYWGE-UHFFFAOYSA-N 0 0 168.236 2.152 10 30 AEEERN C=C1[C@H]2[C@@H]3[C@@]2(C)C(=O)[C@]2(C)[C@H]1[C@]32C 306997455 572849927 /nfs/dbraw/zinc/84/99/27/572849927.db2.gz WGHXPBHNISBAFI-VNRUAFJTSA-N 0 0 174.243 2.034 10 30 AEEERN C=C(C)C[C@@H](O)Cc1csc(C)n1 86059961 572849954 /nfs/dbraw/zinc/84/99/54/572849954.db2.gz UOBLZXYPLUPUIR-SNVBAGLBSA-N 0 0 197.303 2.321 10 30 AEEERN C=CCCC(=O)O[C@]1(C)C[C@H]1C 307959730 572849964 /nfs/dbraw/zinc/84/99/64/572849964.db2.gz VJAUCEWPTGEBHK-PSASIEDQSA-N 0 0 168.236 2.294 10 30 AEEERN CC[C@@H](CC#N)N(C)CCOC(C)C 87977666 572850059 /nfs/dbraw/zinc/85/00/59/572850059.db2.gz LYCSBXJBGZLHJQ-NSHDSACASA-N 0 0 198.310 2.035 10 30 AEEERN C=CCCC(=O)O[C@@]1(C)C[C@@H]1C 307959734 572850061 /nfs/dbraw/zinc/85/00/61/572850061.db2.gz VJAUCEWPTGEBHK-WPRPVWTQSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCOC(=O)[C@H](C)C1=CCCC1 308145321 572850189 /nfs/dbraw/zinc/85/01/89/572850189.db2.gz LJWGRBTYFIUXPM-SECBINFHSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCCC(=O)O[C@]1(C)C[C@@H]1C 307959733 572850198 /nfs/dbraw/zinc/85/01/98/572850198.db2.gz VJAUCEWPTGEBHK-WCBMZHEXSA-N 0 0 168.236 2.294 10 30 AEEERN C#C[C@](C)(C=C)OC(=O)CC(C)C 308145008 572850222 /nfs/dbraw/zinc/85/02/22/572850222.db2.gz LHOWDAOPTILZRJ-LLVKDONJSA-N 0 0 180.247 2.154 10 30 AEEERN COc1cccc2c(C)nc(C#N)cc12 77257067 572850228 /nfs/dbraw/zinc/85/02/28/572850228.db2.gz QOGUKLAZHPUCEL-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN C=CCOC(=O)[C@@H](C)C1=CCCC1 308145322 572850403 /nfs/dbraw/zinc/85/04/03/572850403.db2.gz LJWGRBTYFIUXPM-VIFPVBQESA-N 0 0 180.247 2.462 10 30 AEEERN C=CCNc1ccccc1[C@H](C)O 306996819 572850452 /nfs/dbraw/zinc/85/04/52/572850452.db2.gz UDNSQZCNXNFQMA-VIFPVBQESA-N 0 0 177.247 2.338 10 30 AEEERN C[C@H]1C[C@@H]1CNN=CC(C)(C)C 307960414 572850468 /nfs/dbraw/zinc/85/04/68/572850468.db2.gz VZWMMVYHVPTQEX-DTWKUNHWSA-N 0 0 168.284 2.264 10 30 AEEERN CCCc1csc(C=NOC)n1 307959665 572850482 /nfs/dbraw/zinc/85/04/82/572850482.db2.gz VGQXYHOFUXWDKR-UHFFFAOYSA-N 0 0 184.264 2.076 10 30 AEEERN C=CCCOC(=O)C[C@H]1C[C@@H]1C 307960231 572850628 /nfs/dbraw/zinc/85/06/28/572850628.db2.gz VSZRDKGINFCGCR-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 AEEERN CCN(C)N=C[C@H]1CCCSC1 307959639 572850687 /nfs/dbraw/zinc/85/06/87/572850687.db2.gz VFNIWFCBJROVCJ-SECBINFHSA-N 0 0 186.324 2.067 10 30 AEEERN C[C@@H]1C[C@H]1CNN=CC(C)(C)C 307960413 572850817 /nfs/dbraw/zinc/85/08/17/572850817.db2.gz VZWMMVYHVPTQEX-BDAKNGLRSA-N 0 0 168.284 2.264 10 30 AEEERN C=CCSCC(=O)O[C@H](C)C=C 307960805 572851490 /nfs/dbraw/zinc/85/14/90/572851490.db2.gz WRUOFLGXYMCTHM-MRVPVSSYSA-N 0 0 186.276 2.023 10 30 AEEERN C=C/C=C/CCC#N 75517641 572851399 /nfs/dbraw/zinc/85/13/99/572851399.db2.gz QZAVXYHBZXJTFL-ONEGZZNKSA-N 0 0 107.156 2.032 10 30 AEEERN C=CCCC(=O)OCC1(C)CC1 307963706 572851939 /nfs/dbraw/zinc/85/19/39/572851939.db2.gz ZMCFIFLGVBURSA-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CCOCC(C)=NOC(C)(C)C 308145642 572852043 /nfs/dbraw/zinc/85/20/43/572852043.db2.gz JZWOZAZVLIGAPG-UHFFFAOYSA-N 0 0 173.256 2.214 10 30 AEEERN C=CCCCN(C)[C@H](C#N)CC 307961044 572852180 /nfs/dbraw/zinc/85/21/80/572852180.db2.gz XAOWPOJJFSPRCG-JTQLQIEISA-N 0 0 166.268 2.187 10 30 AEEERN C=CCSc1ccc(N)c(C#N)c1 306986471 572852250 /nfs/dbraw/zinc/85/22/50/572852250.db2.gz OVNAOJRCPFNBNH-UHFFFAOYSA-N 0 0 190.271 2.419 10 30 AEEERN C=CCCCN(C)[C@@H](C#N)CC 307961046 572852497 /nfs/dbraw/zinc/85/24/97/572852497.db2.gz XAOWPOJJFSPRCG-SNVBAGLBSA-N 0 0 166.268 2.187 10 30 AEEERN C=C[C@@H](C)CCC#N 75517799 572852627 /nfs/dbraw/zinc/85/26/27/572852627.db2.gz MWAPSASTCAFOPN-SSDOTTSWSA-N 0 0 109.172 2.112 10 30 AEEERN CC(C)=C(C)CC#N 75517839 572853167 /nfs/dbraw/zinc/85/31/67/572853167.db2.gz YTUSHZZCINRBFN-UHFFFAOYSA-N 0 0 109.172 2.256 10 30 AEEERN C=CCNN=C(C)CCC1CC1 307961289 572852966 /nfs/dbraw/zinc/85/29/66/572852966.db2.gz LPIMRZSAOKVJBL-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C#C[C@@H](O)c1csc(C)c1C 306918808 572853020 /nfs/dbraw/zinc/85/30/20/572853020.db2.gz APIMMYIJLYWSFR-SECBINFHSA-N 0 0 166.245 2.032 10 30 AEEERN C=CCC[C@]1(O)CC[C@H]1C 306998625 572853296 /nfs/dbraw/zinc/85/32/96/572853296.db2.gz CIGCBJHJDMSOES-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCCOC(=O)[C@H]1C[C@H]1C(C)C 308145937 572853303 /nfs/dbraw/zinc/85/33/03/572853303.db2.gz LPWUMBGRTIAAIU-UWVGGRQHSA-N 0 0 182.263 2.398 10 30 AEEERN C/C=C(\C)CCC#N 75517806 572853338 /nfs/dbraw/zinc/85/33/38/572853338.db2.gz PDAWPEYMNMDBGJ-XVNBXDOJSA-N 0 0 109.172 2.256 10 30 AEEERN C=C[C@H](C)CCC#N 75517800 572853381 /nfs/dbraw/zinc/85/33/81/572853381.db2.gz MWAPSASTCAFOPN-ZETCQYMHSA-N 0 0 109.172 2.112 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]1C(C)C 308145936 572853401 /nfs/dbraw/zinc/85/34/01/572853401.db2.gz LPWUMBGRTIAAIU-NXEZZACHSA-N 0 0 182.263 2.398 10 30 AEEERN C=CC[C@H](O)c1cc(C)cc(C)n1 306918848 572853575 /nfs/dbraw/zinc/85/35/75/572853575.db2.gz ASYHCDWWELHIQX-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN C=CCCCC(=O)O[C@H](C)C=C 307960780 572853648 /nfs/dbraw/zinc/85/36/48/572853648.db2.gz WOMSQXKUTVSNDH-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN CCC/C=C/[C@@H](O)C#C/C=C/Cl 306987357 572853898 /nfs/dbraw/zinc/85/38/98/572853898.db2.gz YVCWIWMKEMCGPW-PGFVCJDPSA-N 0 0 184.666 2.460 10 30 AEEERN COCC#CCNc1ccc(C)cc1 306928511 572853923 /nfs/dbraw/zinc/85/39/23/572853923.db2.gz YKJDREJNICKHHU-UHFFFAOYSA-N 0 0 189.258 2.057 10 30 AEEERN C=CCCCC(=O)O[C@@H](C)C=C 307960781 572853958 /nfs/dbraw/zinc/85/39/58/572853958.db2.gz WOMSQXKUTVSNDH-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=CCSCC(=O)O[C@@H](C)C=C 307960806 572854015 /nfs/dbraw/zinc/85/40/15/572854015.db2.gz WRUOFLGXYMCTHM-QMMMGPOBSA-N 0 0 186.276 2.023 10 30 AEEERN C=CCCOC(=O)[C@H]1C[C@@H]1C(C)C 308145939 572854102 /nfs/dbraw/zinc/85/41/02/572854102.db2.gz LPWUMBGRTIAAIU-ZJUUUORDSA-N 0 0 182.263 2.398 10 30 AEEERN C(=NNCC1CC1)C1CCCC1 307960878 572854146 /nfs/dbraw/zinc/85/41/46/572854146.db2.gz KWYOPWGEWMZSKZ-UHFFFAOYSA-N 0 0 166.268 2.162 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@H]1C(C)C 308145938 572854300 /nfs/dbraw/zinc/85/43/00/572854300.db2.gz LPWUMBGRTIAAIU-VHSXEESVSA-N 0 0 182.263 2.398 10 30 AEEERN CC1=CCC[C@@]1(C)C#N 75520047 572854474 /nfs/dbraw/zinc/85/44/74/572854474.db2.gz CBAVKKDTTFHFQQ-QMMMGPOBSA-N 0 0 121.183 2.256 10 30 AEEERN C[C@@H]1CCC=C[C@@H]1C#N 75520017 572854816 /nfs/dbraw/zinc/85/48/16/572854816.db2.gz KTOOPRZKBHHCTD-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN CC[C@@]1(C)C[C@H](CC=O)CCO1 75560322 572864251 /nfs/dbraw/zinc/86/42/51/572864251.db2.gz AGRUTUOPRFQREU-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN ON=CC1CCCCC1 252370075 572854910 /nfs/dbraw/zinc/85/49/10/572854910.db2.gz NOVKEGXMRQTKSK-UHFFFAOYSA-N 0 0 127.187 2.027 10 30 AEEERN CC(=NO)c1ccc(F)cc1F 252370081 572854958 /nfs/dbraw/zinc/85/49/58/572854958.db2.gz OHLLRZWRSGPPIJ-UHFFFAOYSA-N 0 0 171.146 2.163 10 30 AEEERN C=C1CC[C@H](CC#N)C1 75520102 572854961 /nfs/dbraw/zinc/85/49/61/572854961.db2.gz QRVSADZNBQGHLB-MRVPVSSYSA-N 0 0 121.183 2.256 10 30 AEEERN CCO[C@@H]1CCC[C@H]1CCC#N 75555440 572864401 /nfs/dbraw/zinc/86/44/01/572864401.db2.gz JLTGJTOZUHCKSY-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@@H]1C=CCC[C@H]1C#N 75520150 572855126 /nfs/dbraw/zinc/85/51/26/572855126.db2.gz QNBUNDFJTSPPAD-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN CCC(=NO)c1ccccc1 252369993 572855284 /nfs/dbraw/zinc/85/52/84/572855284.db2.gz MDLJMYBJBOYUNJ-UHFFFAOYSA-N 0 0 149.193 2.275 10 30 AEEERN C=CCNN=C(C)[C@@H](C)CC=C 307962532 572855318 /nfs/dbraw/zinc/85/53/18/572855318.db2.gz YEGGVIRGYVUQDW-VIFPVBQESA-N 0 0 166.268 2.350 10 30 AEEERN COC/C=C/C[C@@](C)(Cl)C#N 75564013 572865849 /nfs/dbraw/zinc/86/58/49/572865849.db2.gz OVOPRQQMPQDMAV-MPJRPATESA-N 0 0 173.643 2.100 10 30 AEEERN C=CCN(CCC)C(=O)OCCC 308146526 572855447 /nfs/dbraw/zinc/85/54/47/572855447.db2.gz OKYIARYFDFAIAU-UHFFFAOYSA-N 0 0 185.267 2.431 10 30 AEEERN CC[C@@H](C#N)C(=O)c1ccc(C#N)cc1 118596453 572855517 /nfs/dbraw/zinc/85/55/17/572855517.db2.gz ABSVKTOLMIFOGB-JTQLQIEISA-N 0 0 198.225 2.291 10 30 AEEERN C#CC[C@@H](C)OC(=O)C1CCCC1 308146666 572855536 /nfs/dbraw/zinc/85/55/36/572855536.db2.gz MCEULWDPZYETPW-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN CC[C@H](C#N)C(=O)c1ccc(C#N)cc1 118596455 572855641 /nfs/dbraw/zinc/85/56/41/572855641.db2.gz ABSVKTOLMIFOGB-SNVBAGLBSA-N 0 0 198.225 2.291 10 30 AEEERN N#CC1(CCCCF)CCOCC1 308147688 572855651 /nfs/dbraw/zinc/85/56/51/572855651.db2.gz OZXMNYYYDCALQU-UHFFFAOYSA-N 0 0 185.242 2.447 10 30 AEEERN CC(C)(C)CC=NNCC1CC1 307961590 572855680 /nfs/dbraw/zinc/85/56/80/572855680.db2.gz MBIXOEWJEWAWHR-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN CC[C@H](C)CS[C@H](C#N)COC 307962590 572855684 /nfs/dbraw/zinc/85/56/84/572855684.db2.gz YJQZKSZRYBVIJJ-DTWKUNHWSA-N 0 0 187.308 2.304 10 30 AEEERN C[C@H]1C=CCC[C@@H]1C#N 75520143 572855707 /nfs/dbraw/zinc/85/57/07/572855707.db2.gz QNBUNDFJTSPPAD-JGVFFNPUSA-N 0 0 121.183 2.112 10 30 AEEERN CC1=C[C@](C)(C#N)CC1 75520065 572855734 /nfs/dbraw/zinc/85/57/34/572855734.db2.gz NEWPDCJCSCEKMB-MRVPVSSYSA-N 0 0 121.183 2.256 10 30 AEEERN CC(C)CC(=O)OCC(C)(C)C#N 308147074 572855882 /nfs/dbraw/zinc/85/58/82/572855882.db2.gz MHYZVTSVWMQWCS-UHFFFAOYSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)[C@@H](CO)/N=C\c1cccs1 308147430 572855926 /nfs/dbraw/zinc/85/59/26/572855926.db2.gz DAMKLRGGVYGXMT-CHPNCVJKSA-N 0 0 197.303 2.184 10 30 AEEERN C=C1CC[C@@H](CC#N)C1 75520105 572855992 /nfs/dbraw/zinc/85/59/92/572855992.db2.gz QRVSADZNBQGHLB-QMMMGPOBSA-N 0 0 121.183 2.256 10 30 AEEERN CC(C)(C)CCNN=CC1CC1 307961518 572855967 /nfs/dbraw/zinc/85/59/67/572855967.db2.gz LVQFHWHTULRDCJ-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN CC(=O)c1oc(C(C)C)c(C#N)c1N 75465864 572856103 /nfs/dbraw/zinc/85/61/03/572856103.db2.gz HGSAEDVFBBUFRK-UHFFFAOYSA-N 0 0 192.218 2.059 10 30 AEEERN CC1=C[C@@](C)(C#N)CC1 75520058 572856126 /nfs/dbraw/zinc/85/61/26/572856126.db2.gz NEWPDCJCSCEKMB-QMMMGPOBSA-N 0 0 121.183 2.256 10 30 AEEERN C=C[C@@H](C)CN(C)C(=O)CCC 307961696 572856356 /nfs/dbraw/zinc/85/63/56/572856356.db2.gz XOPWKWOBVHWAPB-SECBINFHSA-N 0 0 169.268 2.067 10 30 AEEERN C[C@H]1CCC=C[C@@H]1C#N 75520021 572856391 /nfs/dbraw/zinc/85/63/91/572856391.db2.gz KTOOPRZKBHHCTD-JGVFFNPUSA-N 0 0 121.183 2.112 10 30 AEEERN CC1=CCC[C@]1(C)C#N 75520054 572856507 /nfs/dbraw/zinc/85/65/07/572856507.db2.gz CBAVKKDTTFHFQQ-MRVPVSSYSA-N 0 0 121.183 2.256 10 30 AEEERN C#CC[C@H](C)OC(=O)C1CCCC1 308146667 572856708 /nfs/dbraw/zinc/85/67/08/572856708.db2.gz MCEULWDPZYETPW-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C[C@H]1CCC=C[C@H]1C#N 75520035 572856729 /nfs/dbraw/zinc/85/67/29/572856729.db2.gz KTOOPRZKBHHCTD-YUMQZZPRSA-N 0 0 121.183 2.112 10 30 AEEERN C=CCNN=C(C)[C@H](C)CC=C 307962531 572856739 /nfs/dbraw/zinc/85/67/39/572856739.db2.gz YEGGVIRGYVUQDW-SECBINFHSA-N 0 0 166.268 2.350 10 30 AEEERN C[C@H]1CCCCC1=NO 252369991 572856881 /nfs/dbraw/zinc/85/68/81/572856881.db2.gz MDIFHVYPHRHKLB-LURJTMIESA-N 0 0 127.187 2.027 10 30 AEEERN C#CC[C@H](C)OC(=O)c1cccs1 308147586 572856787 /nfs/dbraw/zinc/85/67/87/572856787.db2.gz MMOSSHNMOPIKDD-QMMMGPOBSA-N 0 0 194.255 2.317 10 30 AEEERN CC[C@@H](C)CS[C@@H](C#N)COC 307962589 572856806 /nfs/dbraw/zinc/85/68/06/572856806.db2.gz YJQZKSZRYBVIJJ-BDAKNGLRSA-N 0 0 187.308 2.304 10 30 AEEERN CC(C)[C@@H](CO)/N=C/c1cccs1 308147434 572856828 /nfs/dbraw/zinc/85/68/28/572856828.db2.gz DAMKLRGGVYGXMT-VUUNSECVSA-N 0 0 197.303 2.184 10 30 AEEERN CC[C@H]1C[C@@H]1CCC#N 167908729 572856887 /nfs/dbraw/zinc/85/68/87/572856887.db2.gz KKGFTJUHGHAZAY-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN C=C(COC)[C@]1(O)CCCC12CCC2 306985904 572857035 /nfs/dbraw/zinc/85/70/35/572857035.db2.gz OBZLHWTURRJVHF-GFCCVEGCSA-N 0 0 196.290 2.274 10 30 AEEERN C[C@@H]1CCCCC1=NO 252369992 572857050 /nfs/dbraw/zinc/85/70/50/572857050.db2.gz MDIFHVYPHRHKLB-ZCFIWIBFSA-N 0 0 127.187 2.027 10 30 AEEERN C=C[C@@H](C#N)CC(=C)C 75520110 572857147 /nfs/dbraw/zinc/85/71/47/572857147.db2.gz XODLROISHOLQMF-MRVPVSSYSA-N 0 0 121.183 2.278 10 30 AEEERN CC(C)CCC(=O)O[C@@H](C)CC#N 308146587 572857196 /nfs/dbraw/zinc/85/71/96/572857196.db2.gz LZXNBYZCHHVRJE-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN C#CC[C@@H](C)OC(=O)c1cccs1 308147584 572857430 /nfs/dbraw/zinc/85/74/30/572857430.db2.gz MMOSSHNMOPIKDD-MRVPVSSYSA-N 0 0 194.255 2.317 10 30 AEEERN C=CC(C)(C)CNc1cc(C)cnn1 306949655 572857512 /nfs/dbraw/zinc/85/75/12/572857512.db2.gz WTUCAGPTOZUJSV-UHFFFAOYSA-N 0 0 191.278 2.409 10 30 AEEERN N#CC[C@@H](N)c1cccc2ccncc12 238595799 572857552 /nfs/dbraw/zinc/85/75/52/572857552.db2.gz ALQHAKPJTXOLFF-GFCCVEGCSA-N 0 0 197.241 2.148 10 30 AEEERN C=CC[C@H](CC)N[C@H](C#N)CC 307963123 572857589 /nfs/dbraw/zinc/85/75/89/572857589.db2.gz YWMMWXBNHZDTCE-UWVGGRQHSA-N 0 0 166.268 2.233 10 30 AEEERN CC(C)[C@H](CO)/N=C\c1cccs1 308148084 572860439 /nfs/dbraw/zinc/86/04/39/572860439.db2.gz DAMKLRGGVYGXMT-OYUORYAFSA-N 0 0 197.303 2.184 10 30 AEEERN CC(C)CCC(=O)O[C@H](C)CC#N 308146586 572857755 /nfs/dbraw/zinc/85/77/55/572857755.db2.gz LZXNBYZCHHVRJE-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(Br)CCC#N 75544310 572857949 /nfs/dbraw/zinc/85/79/49/572857949.db2.gz YGOFRKRIVRPPKS-UHFFFAOYSA-N 0 0 160.014 2.199 10 30 AEEERN C=C1[C@@H]([C@@H](C)O)[C@@H]1C(C)(C)C 306994814 572857830 /nfs/dbraw/zinc/85/78/30/572857830.db2.gz ONSRSWZWDNCUDI-HRDYMLBCSA-N 0 0 154.253 2.216 10 30 AEEERN C=CCOC(=O)[C@H](C)CC(C)C 307962968 572857849 /nfs/dbraw/zinc/85/78/49/572857849.db2.gz NQUUIMRWPRESNO-SECBINFHSA-N 0 0 170.252 2.398 10 30 AEEERN C(=NOC1CCC1)c1ccoc1 307963167 572857873 /nfs/dbraw/zinc/85/78/73/572857873.db2.gz OBIBJXCLXQVKJM-UHFFFAOYSA-N 0 0 165.192 2.183 10 30 AEEERN C[C@H](CO)/N=C\c1ccc(Cl)cc1 308147670 572857900 /nfs/dbraw/zinc/85/79/00/572857900.db2.gz DVAMCJLCFOSJSH-VNUQYUTRSA-N 0 0 197.665 2.140 10 30 AEEERN CCC[C@@H](OC)C(C)(C)C=O 75543854 572857902 /nfs/dbraw/zinc/85/79/02/572857902.db2.gz AHUVFORTNZHSMS-MRVPVSSYSA-N 0 0 158.241 2.027 10 30 AEEERN C#C[C@@H](C)Nc1ccc(C)cc1OC 307099282 572857907 /nfs/dbraw/zinc/85/79/07/572857907.db2.gz FVYXWUXDSAFCIG-SNVBAGLBSA-N 0 0 189.258 2.437 10 30 AEEERN N#C[C@@H]1CCc2sccc2C1 75545862 572857982 /nfs/dbraw/zinc/85/79/82/572857982.db2.gz ISFILGOFAILUKZ-SSDOTTSWSA-N 0 0 163.245 2.377 10 30 AEEERN C=C(C)NC(=O)NC1CCCCC1 145205921 572857947 /nfs/dbraw/zinc/85/79/47/572857947.db2.gz YDLXASHZDWNPOW-UHFFFAOYSA-N 0 0 182.267 2.152 10 30 AEEERN C=CCc1noc(/C=C/SC)n1 308146797 572857973 /nfs/dbraw/zinc/85/79/73/572857973.db2.gz KPOXADHLASHWIM-AATRIKPKSA-N 0 0 182.248 2.132 10 30 AEEERN CC#C[C@H](O)c1cccc(F)c1F 306932973 572857998 /nfs/dbraw/zinc/85/79/98/572857998.db2.gz COTASYISFOOEMH-VIFPVBQESA-N 0 0 182.169 2.022 10 30 AEEERN CC(=NO)c1cc(F)ccc1F 252370097 572858000 /nfs/dbraw/zinc/85/80/00/572858000.db2.gz PNDLMUZXCOMQSH-UHFFFAOYSA-N 0 0 171.146 2.163 10 30 AEEERN C=CCc1noc(/C=C\SC)n1 308146802 572858020 /nfs/dbraw/zinc/85/80/20/572858020.db2.gz KPOXADHLASHWIM-WAYWQWQTSA-N 0 0 182.248 2.132 10 30 AEEERN Cc1cc(-c2cccn2C)c(C#N)cn1 75585606 572858026 /nfs/dbraw/zinc/85/80/26/572858026.db2.gz IZTZXUWUBDODNN-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN CC[C@H](C)CS[C@@H](C#N)COC 307962727 572858101 /nfs/dbraw/zinc/85/81/01/572858101.db2.gz YJQZKSZRYBVIJJ-IUCAKERBSA-N 0 0 187.308 2.304 10 30 AEEERN CC1(C)[C@H](C#N)CC[C@@]1(C)C#N 75545487 572858177 /nfs/dbraw/zinc/85/81/77/572858177.db2.gz ZKZMIYKCFLBKLV-WPRPVWTQSA-N 0 0 162.236 2.476 10 30 AEEERN C=C(COC)[C@]1(O)CCC[C@@H](C)[C@H]1C 307082480 572858238 /nfs/dbraw/zinc/85/82/38/572858238.db2.gz QCOPKWVSBGFSFG-YUSALJHKSA-N 0 0 198.306 2.376 10 30 AEEERN CCC[C@H](OC)C(C)(C)C=O 75543853 572858356 /nfs/dbraw/zinc/85/83/56/572858356.db2.gz AHUVFORTNZHSMS-QMMMGPOBSA-N 0 0 158.241 2.027 10 30 AEEERN CC(C)N(CC=O)Cc1cccs1 50150657 572858441 /nfs/dbraw/zinc/85/84/41/572858441.db2.gz DUAVZIOYYJKEOQ-UHFFFAOYSA-N 0 0 197.303 2.157 10 30 AEEERN C=C1C[C@@H](O)C[C@@H]2[C@H](C)CC[C@@H]12 306995394 572858494 /nfs/dbraw/zinc/85/84/94/572858494.db2.gz QCIQEAIXLKHYFV-CZULRBLNSA-N 0 0 166.264 2.360 10 30 AEEERN N#C[C@H]1CCc2sccc2C1 75545864 572858514 /nfs/dbraw/zinc/85/85/14/572858514.db2.gz ISFILGOFAILUKZ-ZETCQYMHSA-N 0 0 163.245 2.377 10 30 AEEERN C=CC[C@@H](CC)N[C@@H](C#N)CC 307963122 572858538 /nfs/dbraw/zinc/85/85/38/572858538.db2.gz YWMMWXBNHZDTCE-NXEZZACHSA-N 0 0 166.268 2.233 10 30 AEEERN CC1(C)[C@@H](C#N)CC[C@]1(C)C#N 75545494 572858668 /nfs/dbraw/zinc/85/86/68/572858668.db2.gz ZKZMIYKCFLBKLV-PSASIEDQSA-N 0 0 162.236 2.476 10 30 AEEERN C/C(=C/C=C/[C@@H](C)O)CCC#N 75546892 572858630 /nfs/dbraw/zinc/85/86/30/572858630.db2.gz HXVUKRGGFAHIFF-CXFLYLDGSA-N 0 0 165.236 2.173 10 30 AEEERN C#C[C@@H](O)c1ccc2ccccc2c1N 238593497 572862605 /nfs/dbraw/zinc/86/26/05/572862605.db2.gz RMVOINMSRSCFSZ-GFCCVEGCSA-N 0 0 197.237 2.089 10 30 AEEERN N#Cc1ccc2c(c1)CCS2 75545009 572858739 /nfs/dbraw/zinc/85/87/39/572858739.db2.gz ILJMIVLUKYTCKG-UHFFFAOYSA-N 0 0 161.229 2.206 10 30 AEEERN CSNc1ccc(C#N)cc1 75546272 572858798 /nfs/dbraw/zinc/85/87/98/572858798.db2.gz CXBCXTJFGGXUJD-UHFFFAOYSA-N 0 0 164.233 2.248 10 30 AEEERN N#CC1CC2CC(C#N)CC2C1 75544712 572858832 /nfs/dbraw/zinc/85/88/32/572858832.db2.gz TWMUCBIUZIDLMK-UHFFFAOYSA-N 0 0 160.220 2.086 10 30 AEEERN C=CCC[C@@]1(O)CC[C@@H]1C 306998627 572858861 /nfs/dbraw/zinc/85/88/61/572858861.db2.gz CIGCBJHJDMSOES-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(Cl)CN1CCC[C@@H]1CF 306995817 572858901 /nfs/dbraw/zinc/85/89/01/572858901.db2.gz RBLLGPUFLOSNGJ-MRVPVSSYSA-N 0 0 177.650 2.173 10 30 AEEERN C/C=C/[C@@H](CC=O)C(C)(C)C#N 75546845 572858961 /nfs/dbraw/zinc/85/89/61/572858961.db2.gz BOYYGYVPKFVGLZ-MOVJSRMASA-N 0 0 165.236 2.317 10 30 AEEERN CC(C)(C)COC(=O)C(C)(C)C#N 308147974 572859024 /nfs/dbraw/zinc/85/90/24/572859024.db2.gz MTLDMSWUQMWSDC-UHFFFAOYSA-N 0 0 183.251 2.125 10 30 AEEERN C=C/C=C/C(C)(C)OCCC#N 75546862 572859058 /nfs/dbraw/zinc/85/90/58/572859058.db2.gz MAMZUOKHXONIEF-FNORWQNLSA-N 0 0 165.236 2.437 10 30 AEEERN CC(C)(C#N)[C@@]1(O)C=CCCC1 75546905 572859071 /nfs/dbraw/zinc/85/90/71/572859071.db2.gz PRGBPOQEABOHNE-SNVBAGLBSA-N 0 0 165.236 2.007 10 30 AEEERN CCCCc1oc(C)nc1C#N 75546218 572859094 /nfs/dbraw/zinc/85/90/94/572859094.db2.gz LWKAIRNPHFMAIM-UHFFFAOYSA-N 0 0 164.208 2.197 10 30 AEEERN C=C[C@@H](C)Sc1cccnn1 306980145 572859118 /nfs/dbraw/zinc/85/91/18/572859118.db2.gz FJQBUVGQDZXUII-SSDOTTSWSA-N 0 0 166.249 2.143 10 30 AEEERN COCc1cccc(C#N)c1C 75544945 572859131 /nfs/dbraw/zinc/85/91/31/572859131.db2.gz VRMYWPHBWUCDGB-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN N#C[C@H]1CCc2cscc2C1 75545855 572859174 /nfs/dbraw/zinc/85/91/74/572859174.db2.gz KMDCPKCQOVPZNE-ZETCQYMHSA-N 0 0 163.245 2.377 10 30 AEEERN C/C(=C/C=C/[C@H](C)O)CCC#N 75546891 572859215 /nfs/dbraw/zinc/85/92/15/572859215.db2.gz HXVUKRGGFAHIFF-DHRPOHKSSA-N 0 0 165.236 2.173 10 30 AEEERN C=C(Cl)CN1CCC[C@H]1CF 306995818 572859253 /nfs/dbraw/zinc/85/92/53/572859253.db2.gz RBLLGPUFLOSNGJ-QMMMGPOBSA-N 0 0 177.650 2.173 10 30 AEEERN C=C[C@@](C)(CO)COC(CC)CC 308147767 572859280 /nfs/dbraw/zinc/85/92/80/572859280.db2.gz PFHDGOSYNIKFKP-NSHDSACASA-N 0 0 186.295 2.376 10 30 AEEERN C[C@H]1CC(=O)C[C@@H]1C(C)(C)C#N 75546832 572859281 /nfs/dbraw/zinc/85/92/81/572859281.db2.gz NZRUFVDZEYUWIY-CBAPKCEASA-N 0 0 165.236 2.151 10 30 AEEERN N#C[C@@H]1CCc2cscc2C1 75545853 572859301 /nfs/dbraw/zinc/85/93/01/572859301.db2.gz KMDCPKCQOVPZNE-SSDOTTSWSA-N 0 0 163.245 2.377 10 30 AEEERN C=CCOC(=O)[C@@H](C)CC(C)C 307962969 572859310 /nfs/dbraw/zinc/85/93/10/572859310.db2.gz NQUUIMRWPRESNO-VIFPVBQESA-N 0 0 170.252 2.398 10 30 AEEERN C[C@@H]1CC(=O)C[C@H]1C(C)(C)C#N 75546833 572859343 /nfs/dbraw/zinc/85/93/43/572859343.db2.gz NZRUFVDZEYUWIY-VXNVDRBHSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@H]1C[C@@H](C(C)(C)C#N)CC1=O 75546843 572859405 /nfs/dbraw/zinc/85/94/05/572859405.db2.gz LXUQDDZBLFIBBS-JGVFFNPUSA-N 0 0 165.236 2.151 10 30 AEEERN Cc1[nH]c(-c2cccs2)nc1C#N 77589093 572859486 /nfs/dbraw/zinc/85/94/86/572859486.db2.gz FSKWRGPVLVCQMV-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN CO/C=C\C#Cc1ccc(F)cc1 714565866 572859496 /nfs/dbraw/zinc/85/94/96/572859496.db2.gz TYDIRZTUKJLZNE-OQFOIZHKSA-N 0 0 176.190 2.337 10 30 AEEERN N#CC12C=CC(C#N)(CC1)CC2 75543804 572859518 /nfs/dbraw/zinc/85/95/18/572859518.db2.gz IGBQKPHPYYHBEP-UHFFFAOYSA-N 0 0 158.204 2.150 10 30 AEEERN CC1(C)[C@@H](C#N)CC[C@@]1(C)C#N 75545489 572859547 /nfs/dbraw/zinc/85/95/47/572859547.db2.gz ZKZMIYKCFLBKLV-SCZZXKLOSA-N 0 0 162.236 2.476 10 30 AEEERN CC(C)(C)CCON=C1CCOC1 308147972 572859560 /nfs/dbraw/zinc/85/95/60/572859560.db2.gz MTGLMAPCJTZTCZ-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C=CC[C@H](CC)N[C@@H](C#N)CC 307963124 572859705 /nfs/dbraw/zinc/85/97/05/572859705.db2.gz YWMMWXBNHZDTCE-VHSXEESVSA-N 0 0 166.268 2.233 10 30 AEEERN CC1(C)[C@H](C#N)CC[C@]1(C)C#N 75545491 572859737 /nfs/dbraw/zinc/85/97/37/572859737.db2.gz ZKZMIYKCFLBKLV-WCBMZHEXSA-N 0 0 162.236 2.476 10 30 AEEERN CC(C)[C@H](CO)/N=C/c1cccs1 308148083 572859739 /nfs/dbraw/zinc/85/97/39/572859739.db2.gz DAMKLRGGVYGXMT-OTXQMUPVSA-N 0 0 197.303 2.184 10 30 AEEERN CCCCCCC/C=C\[C@H](O)CO 308148301 572859786 /nfs/dbraw/zinc/85/97/86/572859786.db2.gz DYIRXMNKFXMFJJ-IQQGHNRFSA-N 0 0 186.295 2.256 10 30 AEEERN C/C=C\[C@@H](O)C#CC1=CCCCC1 308148075 572859792 /nfs/dbraw/zinc/85/97/92/572859792.db2.gz CZUGCQWFGIECTP-DBGMKRSLSA-N 0 0 176.259 2.427 10 30 AEEERN C[C@H]1C[C@H](C(C)(C)C#N)CC1=O 75546839 572859846 /nfs/dbraw/zinc/85/98/46/572859846.db2.gz LXUQDDZBLFIBBS-YUMQZZPRSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H]1C[C@H](C(C)(C)C#N)CC1=O 75546837 572859898 /nfs/dbraw/zinc/85/98/98/572859898.db2.gz LXUQDDZBLFIBBS-SFYZADRCSA-N 0 0 165.236 2.151 10 30 AEEERN N#CC12CCC(C#N)(CC1)CC2 75544720 572859902 /nfs/dbraw/zinc/85/99/02/572859902.db2.gz WWCLYGZDLIPFJF-UHFFFAOYSA-N 0 0 160.220 2.374 10 30 AEEERN CSOc1ccc(C#N)cc1 75546785 572859944 /nfs/dbraw/zinc/85/99/44/572859944.db2.gz XFNKHUQVEMFVKV-UHFFFAOYSA-N 0 0 165.217 2.215 10 30 AEEERN C/C=C/[C@H](CC=O)C(C)(C)C#N 75546847 572859949 /nfs/dbraw/zinc/85/99/49/572859949.db2.gz BOYYGYVPKFVGLZ-XNPJLODASA-N 0 0 165.236 2.317 10 30 AEEERN C[C@@H]1C[C@@H](C(C)(C)C#N)CC1=O 75546841 572860280 /nfs/dbraw/zinc/86/02/80/572860280.db2.gz LXUQDDZBLFIBBS-HTQZYQBOSA-N 0 0 165.236 2.151 10 30 AEEERN Cc1cc(-c2ccc[nH]2)c(C#N)cn1 75585345 572859968 /nfs/dbraw/zinc/85/99/68/572859968.db2.gz QXNFSFFPNFUTHU-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN CC(C)(C#N)[C@]1(O)C=CCCC1 75546909 572859998 /nfs/dbraw/zinc/85/99/98/572859998.db2.gz PRGBPOQEABOHNE-JTQLQIEISA-N 0 0 165.236 2.007 10 30 AEEERN N#C[C@H]1CCc2ccsc2C1 75545871 572860020 /nfs/dbraw/zinc/86/00/20/572860020.db2.gz BIQUBYHFIVXTEK-ZETCQYMHSA-N 0 0 163.245 2.377 10 30 AEEERN C[C@@H]1CC(=O)C[C@@H]1C(C)(C)C#N 75546830 572860040 /nfs/dbraw/zinc/86/00/40/572860040.db2.gz NZRUFVDZEYUWIY-APPZFPTMSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)(C)[C@@H](O)c1cccc(C#N)n1 165704905 572860097 /nfs/dbraw/zinc/86/00/97/572860097.db2.gz UOSINXIIFUWRTK-JTQLQIEISA-N 0 0 190.246 2.033 10 30 AEEERN C[C@H]1CC(=O)C[C@H]1C(C)(C)C#N 75546835 572860239 /nfs/dbraw/zinc/86/02/39/572860239.db2.gz NZRUFVDZEYUWIY-IONNQARKSA-N 0 0 165.236 2.151 10 30 AEEERN N#C[C@@H]1CCc2ccsc2C1 75545875 572860274 /nfs/dbraw/zinc/86/02/74/572860274.db2.gz BIQUBYHFIVXTEK-SSDOTTSWSA-N 0 0 163.245 2.377 10 30 AEEERN CO[C@@]1(C)CCCC[C@@]1(C)C#N 75555513 572864409 /nfs/dbraw/zinc/86/44/09/572864409.db2.gz JBUJNRIVVIKVNR-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN C=C[C@](C)(CO)COC(CC)CC 308147766 572860508 /nfs/dbraw/zinc/86/05/08/572860508.db2.gz PFHDGOSYNIKFKP-LLVKDONJSA-N 0 0 186.295 2.376 10 30 AEEERN CC#C[C@@H](O)c1ccccc1OCC 307009626 572860587 /nfs/dbraw/zinc/86/05/87/572860587.db2.gz HXWJZTAOYCYRCH-LLVKDONJSA-N 0 0 190.242 2.142 10 30 AEEERN C=CC(F)(F)[C@H](N)Cc1ccccc1 238597742 572860604 /nfs/dbraw/zinc/86/06/04/572860604.db2.gz DQISWXPXWGHZCN-SNVBAGLBSA-N 0 0 197.228 2.378 10 30 AEEERN C=CCNc1ccnc2cccnc12 307009250 572860622 /nfs/dbraw/zinc/86/06/22/572860622.db2.gz HUHMRVOMNHPUAG-UHFFFAOYSA-N 0 0 185.230 2.228 10 30 AEEERN CC(C)(C)[C@H](O)c1cccc(C#N)n1 165704770 572860642 /nfs/dbraw/zinc/86/06/42/572860642.db2.gz UOSINXIIFUWRTK-SNVBAGLBSA-N 0 0 190.246 2.033 10 30 AEEERN C#C[C@@H]1CC[C@H](C(C)C)C[C@H]1O 307004027 572860816 /nfs/dbraw/zinc/86/08/16/572860816.db2.gz DMVOBKHVXDHOAN-OUAUKWLOSA-N 0 0 166.264 2.053 10 30 AEEERN CCCCCCC/C=C/[C@H](O)CO 308148296 572860860 /nfs/dbraw/zinc/86/08/60/572860860.db2.gz DYIRXMNKFXMFJJ-FBOQAHMBSA-N 0 0 186.295 2.256 10 30 AEEERN C=C(C)CCNc1ncccc1N 307076502 572860884 /nfs/dbraw/zinc/86/08/84/572860884.db2.gz OMIDACCGDSTSJC-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN O=CCCCNc1ccc(Cl)nc1 238599888 572860919 /nfs/dbraw/zinc/86/09/19/572860919.db2.gz TXRVLXGDUZXVSD-UHFFFAOYSA-N 0 0 198.653 2.126 10 30 AEEERN C#C[C@H](C)OC(=O)c1ccc(Cl)o1 307056590 572860968 /nfs/dbraw/zinc/86/09/68/572860968.db2.gz VRKCZWDIBCRWFG-LURJTMIESA-N 0 0 198.605 2.112 10 30 AEEERN CC[C@H]1CCCN(C)[C@@]1(C)C#N 75554917 572861173 /nfs/dbraw/zinc/86/11/73/572861173.db2.gz JKSPMVBEIJTKOC-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1[nH]c(CC(C)(C)C)nc1C#N 77589040 572861410 /nfs/dbraw/zinc/86/14/10/572861410.db2.gz RZAXIAQCPGDUIA-UHFFFAOYSA-N 0 0 177.251 2.178 10 30 AEEERN C/C=C\[C@H](O)C#CC1=CCCCC1 308148076 572861469 /nfs/dbraw/zinc/86/14/69/572861469.db2.gz CZUGCQWFGIECTP-DWMUBGRBSA-N 0 0 176.259 2.427 10 30 AEEERN CC#CCC[C@@H](O)C1CC(F)(F)C1 307051032 572861666 /nfs/dbraw/zinc/86/16/66/572861666.db2.gz RZJDIGXUQHWIKI-SECBINFHSA-N 0 0 188.217 2.196 10 30 AEEERN C=C=CC(=O)c1ccc2c(n1)CCCC2 306995734 572861693 /nfs/dbraw/zinc/86/16/93/572861693.db2.gz QXDFNRLESPNXKN-UHFFFAOYSA-N 0 0 199.253 2.166 10 30 AEEERN C=CC[C@]12CCC(=O)C[C@@H]1CC[C@@H]2O 306945410 572861740 /nfs/dbraw/zinc/86/17/40/572861740.db2.gz LAWJOGNTNMCYCP-DLOVCJGASA-N 0 0 194.274 2.073 10 30 AEEERN C#CC(=O)[C@]1(C)[C@@H](C)[C@H]2CC[C@@H]1C2 306947260 572861751 /nfs/dbraw/zinc/86/17/51/572861751.db2.gz OZPAAPKLLBVRGL-UXCLJVHYSA-N 0 0 176.259 2.261 10 30 AEEERN Cc1nc(C(C)C)cn1CCC#N 75568003 572865916 /nfs/dbraw/zinc/86/59/16/572865916.db2.gz KVAMSBDHFSMXBT-UHFFFAOYSA-N 0 0 177.251 2.229 10 30 AEEERN C=CCCCNC(=O)C=C(C)C 307963758 572861816 /nfs/dbraw/zinc/86/18/16/572861816.db2.gz PBWWOOFDBYZXQW-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN CC[C@@H]1CCCN(C)[C@@]1(C)C#N 75554912 572861960 /nfs/dbraw/zinc/86/19/60/572861960.db2.gz JKSPMVBEIJTKOC-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C=CCNc1cc(C#N)c(N)cc1C 306926696 572862013 /nfs/dbraw/zinc/86/20/13/572862013.db2.gz QRQTWYZPMNLVSG-UHFFFAOYSA-N 0 0 187.246 2.047 10 30 AEEERN C#CCc1ccnc(Br)c1 306953059 572862137 /nfs/dbraw/zinc/86/21/37/572862137.db2.gz FKPDFDLKXDQYRV-UHFFFAOYSA-N 0 0 196.047 2.020 10 30 AEEERN COc1ccccc1[C@H](F)C#N 71618081 572862441 /nfs/dbraw/zinc/86/24/41/572862441.db2.gz LKLVLFFXQCAYBW-MRVPVSSYSA-N 0 0 165.167 2.229 10 30 AEEERN C=C(COC)[C@]1(O)CCC[C@@H](C)[C@@H]1C 307082478 572862562 /nfs/dbraw/zinc/86/25/62/572862562.db2.gz QCOPKWVSBGFSFG-ADEWGFFLSA-N 0 0 198.306 2.376 10 30 AEEERN N#Cc1ccc(-c2ccncc2N)cc1 238609535 572862732 /nfs/dbraw/zinc/86/27/32/572862732.db2.gz IORLZDSHWYZYKZ-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CCC(=O)Nc1cc(N)ccc1C 306983227 572862843 /nfs/dbraw/zinc/86/28/43/572862843.db2.gz SPDAFYILYHIEIF-UHFFFAOYSA-N 0 0 190.246 2.092 10 30 AEEERN CCC/C=C/[C@H](O)C#C/C=C/Cl 306987358 572862851 /nfs/dbraw/zinc/86/28/51/572862851.db2.gz YVCWIWMKEMCGPW-UUIGAHMSSA-N 0 0 184.666 2.460 10 30 AEEERN CO[C@]1(C)CCCC[C@@]1(C)C#N 75555508 572865315 /nfs/dbraw/zinc/86/53/15/572865315.db2.gz JBUJNRIVVIKVNR-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN C=CCC[C@H](C)SCC(=O)OC 307965490 572865496 /nfs/dbraw/zinc/86/54/96/572865496.db2.gz BNARMAAOEVXMLH-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN O=CCCC[C@H]1C(=O)c2ccccc21 238610696 572862940 /nfs/dbraw/zinc/86/29/40/572862940.db2.gz MVMRHKBGOJOARB-LLVKDONJSA-N 0 0 188.226 2.336 10 30 AEEERN C=C1C[C@H]2CC[C@@H](O)C[C@H]2C1 307043804 572862992 /nfs/dbraw/zinc/86/29/92/572862992.db2.gz STGIYBLIHNTDRV-OPRDCNLKSA-N 0 0 152.237 2.114 10 30 AEEERN O=CCCCC[C@@H]1CCCC1=O 238609249 572863005 /nfs/dbraw/zinc/86/30/05/572863005.db2.gz LUFPIVQNGDMDJK-SECBINFHSA-N 0 0 168.236 2.115 10 30 AEEERN O=CCCC[C@@H]1C(=O)c2ccccc21 238610095 572863028 /nfs/dbraw/zinc/86/30/28/572863028.db2.gz MVMRHKBGOJOARB-NSHDSACASA-N 0 0 188.226 2.336 10 30 AEEERN CC(C)(C)c1[nH]c(C2CC2)nc1C#N 77589119 572863071 /nfs/dbraw/zinc/86/30/71/572863071.db2.gz WGLTVMKMCNYLTH-UHFFFAOYSA-N 0 0 189.262 2.456 10 30 AEEERN N#Cc1ccccc1-c1ccncc1N 238609576 572863098 /nfs/dbraw/zinc/86/30/98/572863098.db2.gz PEOLXFHXUQKWDH-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CC(=O)CC(C)(C)C(C)(C)C=O 75560309 572863158 /nfs/dbraw/zinc/86/31/58/572863158.db2.gz HLCIXOOGCIZUBY-UHFFFAOYSA-N 0 0 170.252 2.217 10 30 AEEERN CC#CCC[C@H](O)C1CC(F)(F)C1 307051033 572863160 /nfs/dbraw/zinc/86/31/60/572863160.db2.gz RZJDIGXUQHWIKI-VIFPVBQESA-N 0 0 188.217 2.196 10 30 AEEERN O=CCCCC[C@@H]1CCC=CC1=O 238609200 572863162 /nfs/dbraw/zinc/86/31/62/572863162.db2.gz PXPNCICPVXDWND-SNVBAGLBSA-N 0 0 180.247 2.281 10 30 AEEERN O=CCCCOC1CCCCC1 238609702 572863167 /nfs/dbraw/zinc/86/31/67/572863167.db2.gz FWBOAFIQKJUARL-UHFFFAOYSA-N 0 0 170.252 2.315 10 30 AEEERN CC[C@H](CC=O)C(=O)C(C)(C)C 75560041 572863209 /nfs/dbraw/zinc/86/32/09/572863209.db2.gz IQCGGYJARFWNRR-MRVPVSSYSA-N 0 0 170.252 2.217 10 30 AEEERN C[C@](C#N)(CC#N)c1ccccc1 75559822 572863279 /nfs/dbraw/zinc/86/32/79/572863279.db2.gz VOQPBLJNBVWAGJ-LLVKDONJSA-N 0 0 170.215 2.382 10 30 AEEERN CC[C@]1(C)C[C@H](CC=O)CCO1 75560314 572863359 /nfs/dbraw/zinc/86/33/59/572863359.db2.gz AGRUTUOPRFQREU-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C=CC[C@]1(O)CCC[C@@]12CCC[C@H]2O 307012079 572863464 /nfs/dbraw/zinc/86/34/64/572863464.db2.gz PSRMQVVVWURMPU-UTUOFQBUSA-N 0 0 196.290 2.009 10 30 AEEERN O=CCCCCCOc1cccnc1 238608624 572863529 /nfs/dbraw/zinc/86/35/29/572863529.db2.gz MJTUMCVAQZACFJ-UHFFFAOYSA-N 0 0 193.246 2.220 10 30 AEEERN Cc1c(C#N)cnc2c1CSCC2 75561630 572863559 /nfs/dbraw/zinc/86/35/59/572863559.db2.gz YUFKQVMZUQNIRT-UHFFFAOYSA-N 0 0 190.271 2.051 10 30 AEEERN C#C[C@H](O)c1ccc2ccccc2c1N 238593352 572863619 /nfs/dbraw/zinc/86/36/19/572863619.db2.gz RMVOINMSRSCFSZ-LBPRGKRZSA-N 0 0 197.237 2.089 10 30 AEEERN C#C[C@@H]1CC[C@H](C(C)C)C[C@@H]1O 307004028 572863638 /nfs/dbraw/zinc/86/36/38/572863638.db2.gz DMVOBKHVXDHOAN-VWYCJHECSA-N 0 0 166.264 2.053 10 30 AEEERN C#C[C@](C)(O)[C@H]1CC2CCC1CC2 307040851 572863756 /nfs/dbraw/zinc/86/37/56/572863756.db2.gz RDDHMGRYHZLNBF-QQFIATSDSA-N 0 0 178.275 2.197 10 30 AEEERN C=CCCCC(=O)C(C)(C)OC 86071525 572863792 /nfs/dbraw/zinc/86/37/92/572863792.db2.gz GQNLJXLQBHDZBP-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN Cc1c(C#N)cnc2c1CCCC2 75561616 572863793 /nfs/dbraw/zinc/86/37/93/572863793.db2.gz AMZKLYLLVFWLBH-UHFFFAOYSA-N 0 0 172.231 2.141 10 30 AEEERN Cc1cc(C(C)C)c(C#N)cn1 75561645 572863796 /nfs/dbraw/zinc/86/37/96/572863796.db2.gz YTAAVEJLOZJBES-UHFFFAOYSA-N 0 0 160.220 2.385 10 30 AEEERN C[C@@H](C=O)O[C@H](C)c1ccccc1 75568531 572865842 /nfs/dbraw/zinc/86/58/42/572865842.db2.gz OPRSCRDSTNGFHM-VHSXEESVSA-N 0 0 178.231 2.352 10 30 AEEERN C=C(CC)C[C@@H](O)C(C)(C)OC 86072029 572863866 /nfs/dbraw/zinc/86/38/66/572863866.db2.gz XNHVBPNQAYTDLY-SECBINFHSA-N 0 0 172.268 2.129 10 30 AEEERN C#C[C@H](O)c1cc(C)nc2ccccc12 86113753 572863877 /nfs/dbraw/zinc/86/38/77/572863877.db2.gz ODTOBWZSSPKKED-ZDUSSCGKSA-N 0 0 197.237 2.210 10 30 AEEERN O=CCCCC[C@H]1CCC=CC1=O 238609328 572863880 /nfs/dbraw/zinc/86/38/80/572863880.db2.gz PXPNCICPVXDWND-JTQLQIEISA-N 0 0 180.247 2.281 10 30 AEEERN O=CCCCC[C@H]1CCCC1=O 238609356 572863907 /nfs/dbraw/zinc/86/39/07/572863907.db2.gz LUFPIVQNGDMDJK-VIFPVBQESA-N 0 0 168.236 2.115 10 30 AEEERN O=CCCCC[C@H]1CCCCO1 75560083 572863937 /nfs/dbraw/zinc/86/39/37/572863937.db2.gz KRIPLJPFGLTXPG-JTQLQIEISA-N 0 0 170.252 2.315 10 30 AEEERN O=CCCC(=O)C1CCCCC1 75556773 572863968 /nfs/dbraw/zinc/86/39/68/572863968.db2.gz DKMSQLDBLJLVJL-UHFFFAOYSA-N 0 0 168.236 2.115 10 30 AEEERN C/C=C/C#CC(=O)c1ccccc1 307060773 572863974 /nfs/dbraw/zinc/86/39/74/572863974.db2.gz DRVJWBKCUWAWBQ-NSCUHMNNSA-N 0 0 170.211 2.449 10 30 AEEERN C#C[C@H](C)N(C)c1nc(CC)cs1 306930407 572863986 /nfs/dbraw/zinc/86/39/86/572863986.db2.gz BHKODGMSNYCEJE-QMMMGPOBSA-N 0 0 194.303 2.163 10 30 AEEERN CC[C@@]1(C)C[C@@H](CC=O)CCO1 75560334 572864092 /nfs/dbraw/zinc/86/40/92/572864092.db2.gz AGRUTUOPRFQREU-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN COc1ccccc1[C@@H](F)C#N 71618082 572864153 /nfs/dbraw/zinc/86/41/53/572864153.db2.gz LKLVLFFXQCAYBW-QMMMGPOBSA-N 0 0 165.167 2.229 10 30 AEEERN C[C@]1(O)CCCC[C@@H]1CCC#N 75555460 572864196 /nfs/dbraw/zinc/86/41/96/572864196.db2.gz MQSNLRMMDVPWDB-ZJUUUORDSA-N 0 0 167.252 2.231 10 30 AEEERN C=CCCC[C@@H](O)C(C)(C)OC 86071984 572864204 /nfs/dbraw/zinc/86/42/04/572864204.db2.gz QQKLJIJWGBTLLM-SECBINFHSA-N 0 0 172.268 2.129 10 30 AEEERN C[C@@]1(O)CCCC[C@H]1CCC#N 75555470 572864321 /nfs/dbraw/zinc/86/43/21/572864321.db2.gz MQSNLRMMDVPWDB-VHSXEESVSA-N 0 0 167.252 2.231 10 30 AEEERN Cc1cc(C2CC2)c(C#N)cn1 75561678 572864353 /nfs/dbraw/zinc/86/43/53/572864353.db2.gz IWJGETJQSOIECG-UHFFFAOYSA-N 0 0 158.204 2.139 10 30 AEEERN CCC[C@]1(C)C[C@H](C=O)CCO1 75560120 572864393 /nfs/dbraw/zinc/86/43/93/572864393.db2.gz WECRKURXKGHVKU-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCCC[C@H](O)C(C)(C)OC 86071986 572864368 /nfs/dbraw/zinc/86/43/68/572864368.db2.gz QQKLJIJWGBTLLM-VIFPVBQESA-N 0 0 172.268 2.129 10 30 AEEERN CC(C)(C)N(CC#N)C(C)(C)C 75557149 572864574 /nfs/dbraw/zinc/86/45/74/572864574.db2.gz PHRRFVWZPXTUNN-UHFFFAOYSA-N 0 0 168.284 2.409 10 30 AEEERN CC[C@@H](CC=O)C(=O)C(C)(C)C 75560037 572864685 /nfs/dbraw/zinc/86/46/85/572864685.db2.gz IQCGGYJARFWNRR-QMMMGPOBSA-N 0 0 170.252 2.217 10 30 AEEERN C=C(C)CCNc1cc(C)c(N)c[nH+]1 307045898 572864686 /nfs/dbraw/zinc/86/46/86/572864686.db2.gz WUMPKRVCZRDEGW-UHFFFAOYSA-N 0 0 191.278 2.350 10 30 AEEERN Cc1[nH]c(C)c2cc(C#N)ncc12 75561048 572864719 /nfs/dbraw/zinc/86/47/19/572864719.db2.gz BXRSBEDSFRWGQX-UHFFFAOYSA-N 0 0 171.203 2.051 10 30 AEEERN Cc1ccn2c(C#N)ccc2c1C 75559858 572864727 /nfs/dbraw/zinc/86/47/27/572864727.db2.gz IVHGPTFTGJEDOO-UHFFFAOYSA-N 0 0 170.215 2.428 10 30 AEEERN CCO[C@H]1CCC[C@H]1CCC#N 75555444 572864730 /nfs/dbraw/zinc/86/47/30/572864730.db2.gz JLTGJTOZUHCKSY-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@H]1CCC[C@@H]1CCC#N 75555436 572864939 /nfs/dbraw/zinc/86/49/39/572864939.db2.gz JLTGJTOZUHCKSY-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CCc1[nH]c(CC(C)(C)C)nc1C#N 77589223 572864969 /nfs/dbraw/zinc/86/49/69/572864969.db2.gz CGHOKARMKIPCJK-UHFFFAOYSA-N 0 0 191.278 2.432 10 30 AEEERN CC[C@]1(C)C[C@@H](CC=O)CCO1 75560326 572864989 /nfs/dbraw/zinc/86/49/89/572864989.db2.gz AGRUTUOPRFQREU-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN C=C(CC)C[C@H](O)C(C)(C)OC 86072027 572865012 /nfs/dbraw/zinc/86/50/12/572865012.db2.gz XNHVBPNQAYTDLY-VIFPVBQESA-N 0 0 172.268 2.129 10 30 AEEERN C[C@H]1Cc2ccc(CC#N)cc2C1 75561491 572865022 /nfs/dbraw/zinc/86/50/22/572865022.db2.gz HSJRTKCHFMBWCY-VIFPVBQESA-N 0 0 171.243 2.487 10 30 AEEERN C[C@@](C#N)(CC#N)c1ccccc1 75559827 572865077 /nfs/dbraw/zinc/86/50/77/572865077.db2.gz VOQPBLJNBVWAGJ-NSHDSACASA-N 0 0 170.215 2.382 10 30 AEEERN CCO[C@@H]1CCC[C@@H]1CCC#N 75555432 572865166 /nfs/dbraw/zinc/86/51/66/572865166.db2.gz JLTGJTOZUHCKSY-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@]1(O)CCCC[C@H]1CCC#N 75555466 572865209 /nfs/dbraw/zinc/86/52/09/572865209.db2.gz MQSNLRMMDVPWDB-UWVGGRQHSA-N 0 0 167.252 2.231 10 30 AEEERN CO[C@@]1(C)CCCC[C@]1(C)C#N 75555511 572865246 /nfs/dbraw/zinc/86/52/46/572865246.db2.gz JBUJNRIVVIKVNR-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CCC[C@]1(C)C[C@@H](C=O)CCO1 75560132 572865255 /nfs/dbraw/zinc/86/52/55/572865255.db2.gz WECRKURXKGHVKU-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN Cc1cc2ccc(C#N)n2cc1C 75559785 572865336 /nfs/dbraw/zinc/86/53/36/572865336.db2.gz CKAQKMFZLMIYQH-UHFFFAOYSA-N 0 0 170.215 2.428 10 30 AEEERN N#Cc1cnc2c(c1C1CC1)CCC2 75561689 572865390 /nfs/dbraw/zinc/86/53/90/572865390.db2.gz METMEDFXRMMERY-UHFFFAOYSA-N 0 0 184.242 2.319 10 30 AEEERN C=C[C@]12CCC[C@@H]1[C@H](C)C2=O 307082219 572865486 /nfs/dbraw/zinc/86/54/86/572865486.db2.gz UIGLQJUEHGXUPL-XKSSXDPKSA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@H](O)[C@H]1CC[C@H](CC)C1 307020299 572865561 /nfs/dbraw/zinc/86/55/61/572865561.db2.gz ZEJLWXNPEBYFKQ-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=CCOCc1cccc(Cl)n1 86114878 572865565 /nfs/dbraw/zinc/86/55/65/572865565.db2.gz ZOEZAEIUJRSISH-UHFFFAOYSA-N 0 0 183.638 2.438 10 30 AEEERN C=CC[C@@H](O)CCCOC(C)C 689508422 572865600 /nfs/dbraw/zinc/86/56/00/572865600.db2.gz RQHMPTNZSDINKK-SNVBAGLBSA-N 0 0 172.268 2.129 10 30 AEEERN C=C1CCCC[C@@H]1CCO 32225153 572865641 /nfs/dbraw/zinc/86/56/41/572865641.db2.gz JKOPDNROXLBNBI-SECBINFHSA-N 0 0 140.226 2.115 10 30 AEEERN C=C(CC)CC(=O)C(C)(C)OC 86071395 572865652 /nfs/dbraw/zinc/86/56/52/572865652.db2.gz SDNDKVZWPWBJAL-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN C#C[C@@H](O)c1cc(C)nc2ccccc12 86113749 572865913 /nfs/dbraw/zinc/86/59/13/572865913.db2.gz ODTOBWZSSPKKED-CYBMUJFWSA-N 0 0 197.237 2.210 10 30 AEEERN Cc1nc(C#N)c(Cc2ccccc2)[nH]1 77595404 572865924 /nfs/dbraw/zinc/86/59/24/572865924.db2.gz WQFPOFOYMGYFET-UHFFFAOYSA-N 0 0 197.241 2.181 10 30 AEEERN C[C@@H](C=NN(C)C)c1ccccc1 308155084 572865976 /nfs/dbraw/zinc/86/59/76/572865976.db2.gz QTQBWMANAHDTLB-JTQLQIEISA-N 0 0 176.263 2.338 10 30 AEEERN C=CCONC/C(Cl)=C\Cl 307023450 572866006 /nfs/dbraw/zinc/86/60/06/572866006.db2.gz VHMMYVGAUFVKGI-GQCTYLIASA-N 0 0 182.050 2.013 10 30 AEEERN C[C@]1(C#N)N=COC12CCCCC2 75568666 572866023 /nfs/dbraw/zinc/86/60/23/572866023.db2.gz WMVYGHDXWPKQDY-SECBINFHSA-N 0 0 178.235 2.030 10 30 AEEERN C[C@H](CC(=O)OCC#N)C(C)(C)C 308154564 572866092 /nfs/dbraw/zinc/86/60/92/572866092.db2.gz QLZAJYOCJQEKNI-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN C[C@@H]1CCC[C@]2(C#N)CCCCN12 75568867 572866136 /nfs/dbraw/zinc/86/61/36/572866136.db2.gz DLBBLFNSEDTZBU-MNOVXSKESA-N 0 0 178.279 2.307 10 30 AEEERN C=CCC[C@@H](C)SCC(=O)OC 307965488 572866146 /nfs/dbraw/zinc/86/61/46/572866146.db2.gz BNARMAAOEVXMLH-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=C[C@H](O)[C@H]1CC[C@@H](CC)C1 307020300 572866151 /nfs/dbraw/zinc/86/61/51/572866151.db2.gz ZEJLWXNPEBYFKQ-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN N#Cc1nc(C2CC2)[nH]c1-c1ccco1 77595607 572866291 /nfs/dbraw/zinc/86/62/91/572866291.db2.gz BAHQQLZJRWCITF-UHFFFAOYSA-N 0 0 199.213 2.419 10 30 AEEERN C[C@@]1(C#N)N=COC12CCCCC2 75568664 572866344 /nfs/dbraw/zinc/86/63/44/572866344.db2.gz WMVYGHDXWPKQDY-VIFPVBQESA-N 0 0 178.235 2.030 10 30 AEEERN CCCCCc1ncc(C#N)cn1 75565586 572866377 /nfs/dbraw/zinc/86/63/77/572866377.db2.gz IHQSUHBYCHXSNK-UHFFFAOYSA-N 0 0 175.235 2.081 10 30 AEEERN CCC(C=O)=NNc1ccccc1 75566650 572866386 /nfs/dbraw/zinc/86/63/86/572866386.db2.gz BIMJORPWWJOHTN-PKNBQFBNSA-N 0 0 176.219 2.063 10 30 AEEERN Cc1cc(Cl)cc(C=NO)c1O 307964878 572866401 /nfs/dbraw/zinc/86/64/01/572866401.db2.gz QEUOOSBQHCPQBN-UHFFFAOYSA-N 0 0 185.610 2.162 10 30 AEEERN C[C@@](O)(CCC#N)c1ccccc1 75565554 572866424 /nfs/dbraw/zinc/86/64/24/572866424.db2.gz IWCZXCPRRYTZQA-LLVKDONJSA-N 0 0 175.231 2.198 10 30 AEEERN CO/C=C/Cc1ccc(C#N)cc1 75563507 572866446 /nfs/dbraw/zinc/86/64/46/572866446.db2.gz FUCLRRDMOJWTPO-KRXBUXKQSA-N 0 0 173.215 2.261 10 30 AEEERN CC(C)c1cc(N(C)C)c(C#N)cn1 75563436 572866451 /nfs/dbraw/zinc/86/64/51/572866451.db2.gz QMYMKKPYUKXTJN-UHFFFAOYSA-N 0 0 189.262 2.143 10 30 AEEERN C[C@H]1Cc2ccccc2C[C@H]1C=O 75564741 572866502 /nfs/dbraw/zinc/86/65/02/572866502.db2.gz AHCMYEGPGZEKEF-CABZTGNLSA-N 0 0 174.243 2.236 10 30 AEEERN C=CC[C@](C#N)([C@H](C)C=C)N(C)C 75568837 572866505 /nfs/dbraw/zinc/86/65/05/572866505.db2.gz GYEOTWLPHMXFMH-MNOVXSKESA-N 0 0 178.279 2.209 10 30 AEEERN Cc1ccc(C(=O)CCCC#N)o1 75567374 572866513 /nfs/dbraw/zinc/86/65/13/572866513.db2.gz SQNOVCJNMRZSGM-UHFFFAOYSA-N 0 0 177.203 2.465 10 30 AEEERN C[C@H]1Cc2ccccc2C[C@@H]1C=O 75564735 572866521 /nfs/dbraw/zinc/86/65/21/572866521.db2.gz AHCMYEGPGZEKEF-JOYOIKCWSA-N 0 0 174.243 2.236 10 30 AEEERN C[C@@H]1Cc2ccccc2C[C@H]1C=O 75564739 572866524 /nfs/dbraw/zinc/86/65/24/572866524.db2.gz AHCMYEGPGZEKEF-SKDRFNHKSA-N 0 0 174.243 2.236 10 30 AEEERN C=C(CC)C[C@@H](NN)C1(CC)CC1 308155170 572866538 /nfs/dbraw/zinc/86/65/38/572866538.db2.gz SYDMDLLLCNYQID-SNVBAGLBSA-N 0 0 182.311 2.365 10 30 AEEERN C#C[C@@H]1CC[C@@H](C(C)C)C[C@@H]1O 307004026 572866552 /nfs/dbraw/zinc/86/65/52/572866552.db2.gz DMVOBKHVXDHOAN-MXWKQRLJSA-N 0 0 166.264 2.053 10 30 AEEERN C=C(CC)C[C@H](NN)C1(CC)CC1 308155169 572866564 /nfs/dbraw/zinc/86/65/64/572866564.db2.gz SYDMDLLLCNYQID-JTQLQIEISA-N 0 0 182.311 2.365 10 30 AEEERN C[C@@H]1Cc2ccccc2C[C@@H]1C=O 75564733 572866578 /nfs/dbraw/zinc/86/65/78/572866578.db2.gz AHCMYEGPGZEKEF-BXKDBHETSA-N 0 0 174.243 2.236 10 30 AEEERN CC(CCc1cccc(F)c1)=NN 308154569 572866580 /nfs/dbraw/zinc/86/65/80/572866580.db2.gz QMDNFUJMRIXMGD-UHFFFAOYSA-N 0 0 180.226 2.093 10 30 AEEERN C[C@@H](C=O)O[C@@H](C)c1ccccc1 75568526 572866589 /nfs/dbraw/zinc/86/65/89/572866589.db2.gz OPRSCRDSTNGFHM-UWVGGRQHSA-N 0 0 178.231 2.352 10 30 AEEERN CC(=CC#N)NNc1ccccc1 75563612 572866650 /nfs/dbraw/zinc/86/66/50/572866650.db2.gz HTQQHQNNEXVOMP-FMIVXFBMSA-N 0 0 173.219 2.388 10 30 AEEERN C[C@@H](C=O)CC(=O)c1ccccc1 75566545 572866661 /nfs/dbraw/zinc/86/66/61/572866661.db2.gz UZNCXQUFVZEHAD-SECBINFHSA-N 0 0 176.215 2.094 10 30 AEEERN O=CCCc1cscc1CCC=O 238614908 572866676 /nfs/dbraw/zinc/86/66/76/572866676.db2.gz AAAXHILWYLJYNU-UHFFFAOYSA-N 0 0 196.271 2.011 10 30 AEEERN C#C[C@@](C)(OCC)[C@H](C)CC 32217150 572866688 /nfs/dbraw/zinc/86/66/88/572866688.db2.gz GPZPYJMSEBCLFU-NXEZZACHSA-N 0 0 154.253 2.461 10 30 AEEERN C=CCc1cc(OC)ccc1C=O 75566448 572866726 /nfs/dbraw/zinc/86/67/26/572866726.db2.gz XTCNORAQZBHYSW-UHFFFAOYSA-N 0 0 176.215 2.236 10 30 AEEERN Cn1cccc1CCCCS 77263375 572866728 /nfs/dbraw/zinc/86/67/28/572866728.db2.gz BAWOLMIQRVBHAV-UHFFFAOYSA-N 0 0 169.293 2.278 10 30 AEEERN CCc1ccc2[nH]c(CC#N)nc2c1 71743227 572866745 /nfs/dbraw/zinc/86/67/45/572866745.db2.gz ZFIICALICDHPSW-UHFFFAOYSA-N 0 0 185.230 2.191 10 30 AEEERN CC[C@]1(C#N)C(C)=C(C)CCN1C 75568851 572867364 /nfs/dbraw/zinc/86/73/64/572867364.db2.gz YRZKQCKBWYNNCS-NSHDSACASA-N 0 0 178.279 2.331 10 30 AEEERN C=CC1=CC(=O)CC[C@H]1CCC=O 75568578 572866787 /nfs/dbraw/zinc/86/67/87/572866787.db2.gz GMJBOCDSJAELKT-SNVBAGLBSA-N 0 0 178.231 2.057 10 30 AEEERN Cc1c(Cl)ccc(C#N)c1C#N 75566990 572866799 /nfs/dbraw/zinc/86/67/99/572866799.db2.gz IFDBBOZYTGAQOR-UHFFFAOYSA-N 0 0 176.606 2.392 10 30 AEEERN CON=Cc1cnc(C(C)C)s1 307965728 572866863 /nfs/dbraw/zinc/86/68/63/572866863.db2.gz BUWUAIREDMPVSB-UHFFFAOYSA-N 0 0 184.264 2.247 10 30 AEEERN C=C[C@@]1(C)[C@@H](O)CCC[C@H]1C 307045589 572866950 /nfs/dbraw/zinc/86/69/50/572866950.db2.gz WCRPQVPJYQVARM-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@H](C=O)CC(=O)c1ccccc1 75566543 572866952 /nfs/dbraw/zinc/86/69/52/572866952.db2.gz UZNCXQUFVZEHAD-VIFPVBQESA-N 0 0 176.215 2.094 10 30 AEEERN Cc1nc(C#N)c(C2CCCC2)[nH]1 77595350 572866999 /nfs/dbraw/zinc/86/69/99/572866999.db2.gz MRQYDJHGYVCTPF-UHFFFAOYSA-N 0 0 175.235 2.247 10 30 AEEERN C[C@H](O[C@H](C)C=O)c1ccccc1 75568529 572867078 /nfs/dbraw/zinc/86/70/78/572867078.db2.gz OPRSCRDSTNGFHM-ZJUUUORDSA-N 0 0 178.231 2.352 10 30 AEEERN COC/C=C/C[C@](C)(Cl)C#N 75564019 572867086 /nfs/dbraw/zinc/86/70/86/572867086.db2.gz OVOPRQQMPQDMAV-RTMURIBGSA-N 0 0 173.643 2.100 10 30 AEEERN C[C@@H]1CCC[C@@]2(C#N)CCCCN12 75568856 572867150 /nfs/dbraw/zinc/86/71/50/572867150.db2.gz DLBBLFNSEDTZBU-GHMZBOCLSA-N 0 0 178.279 2.307 10 30 AEEERN CC1=CC[C@@H]([C@](C)(O)CC#N)CC1 75569590 572867199 /nfs/dbraw/zinc/86/71/99/572867199.db2.gz RMYLKZWTQCAYBP-GHMZBOCLSA-N 0 0 179.263 2.397 10 30 AEEERN C[C@@H]1CSC(C)(C)C[C@@H]1C=O 75563008 572867206 /nfs/dbraw/zinc/86/72/06/572867206.db2.gz JMEVIPNOPWASBR-HTQZYQBOSA-N 0 0 172.293 2.353 10 30 AEEERN CCCc1csc(CC#N)n1 50192905 572867216 /nfs/dbraw/zinc/86/72/16/572867216.db2.gz FFBPNCRLAUMRPR-UHFFFAOYSA-N 0 0 166.249 2.162 10 30 AEEERN C=CC[C@H](C#N)c1c(C)noc1C 75566646 572867218 /nfs/dbraw/zinc/86/72/18/572867218.db2.gz YHUDIBWYMOSRKV-SECBINFHSA-N 0 0 176.219 2.475 10 30 AEEERN C[C@H]1CCC[C@]2(C#N)CCCCN12 75568868 572867246 /nfs/dbraw/zinc/86/72/46/572867246.db2.gz DLBBLFNSEDTZBU-QWRGUYRKSA-N 0 0 178.279 2.307 10 30 AEEERN C[C@H]1CSC(C)(C)C[C@@H]1C=O 75563020 572867334 /nfs/dbraw/zinc/86/73/34/572867334.db2.gz JMEVIPNOPWASBR-JGVFFNPUSA-N 0 0 172.293 2.353 10 30 AEEERN CCCCCc1cnc(C#N)nc1 75565584 572867942 /nfs/dbraw/zinc/86/79/42/572867942.db2.gz SYQZZAITADWLCA-UHFFFAOYSA-N 0 0 175.235 2.081 10 30 AEEERN C[C@@H]1CSC(C)(C)C[C@H]1C=O 75563023 572867568 /nfs/dbraw/zinc/86/75/68/572867568.db2.gz JMEVIPNOPWASBR-SFYZADRCSA-N 0 0 172.293 2.353 10 30 AEEERN COc1ccc(C)c(CCC=O)c1 75568576 572867676 /nfs/dbraw/zinc/86/76/76/572867676.db2.gz DSKBGGPAZPGZRW-UHFFFAOYSA-N 0 0 178.231 2.135 10 30 AEEERN Cc1cc(N)n(C(C)(C)C)c1C#N 75567985 572867756 /nfs/dbraw/zinc/86/77/56/572867756.db2.gz YPBPBUXIMMSSJL-UHFFFAOYSA-N 0 0 177.251 2.005 10 30 AEEERN C[C@H](CC#N)OC(=O)CC1(C)CC1 308155107 572867800 /nfs/dbraw/zinc/86/78/00/572867800.db2.gz QVDMNOXJRXUHHC-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN CC(C)Cc1[nH]c(C2CC2)nc1C#N 77595128 572867845 /nfs/dbraw/zinc/86/78/45/572867845.db2.gz GNCHGELHGOATOD-UHFFFAOYSA-N 0 0 189.262 2.357 10 30 AEEERN C[C@H](C=O)O[C@H](C)c1ccccc1 75568533 572867928 /nfs/dbraw/zinc/86/79/28/572867928.db2.gz OPRSCRDSTNGFHM-NXEZZACHSA-N 0 0 178.231 2.352 10 30 AEEERN C=CC[C@@H](C#N)c1c(C)noc1C 75566643 572867983 /nfs/dbraw/zinc/86/79/83/572867983.db2.gz YHUDIBWYMOSRKV-VIFPVBQESA-N 0 0 176.219 2.475 10 30 AEEERN C#CCCC[C@H](O)C1(SC)CC1 307965606 572868070 /nfs/dbraw/zinc/86/80/70/572868070.db2.gz QTCDPVNDYANPQN-VIFPVBQESA-N 0 0 184.304 2.046 10 30 AEEERN CCc1cc(N)n(C(C)C)c1C#N 75567986 572868222 /nfs/dbraw/zinc/86/82/22/572868222.db2.gz GGMWINQLTMAMND-UHFFFAOYSA-N 0 0 177.251 2.085 10 30 AEEERN C=CCc1ccc(OC)c(C=O)c1 75566451 572868100 /nfs/dbraw/zinc/86/81/00/572868100.db2.gz KSMUNVDKAPLUDG-UHFFFAOYSA-N 0 0 176.215 2.236 10 30 AEEERN CC[C@@]1(C#N)C(C)=C(C)CCN1C 75568852 572868109 /nfs/dbraw/zinc/86/81/09/572868109.db2.gz YRZKQCKBWYNNCS-LLVKDONJSA-N 0 0 178.279 2.331 10 30 AEEERN CC1=CC[C@@H]([C@@](C)(O)CC#N)CC1 75569598 572868122 /nfs/dbraw/zinc/86/81/22/572868122.db2.gz RMYLKZWTQCAYBP-MNOVXSKESA-N 0 0 179.263 2.397 10 30 AEEERN N#Cc1cccn1-c1ccsc1 75564611 572868159 /nfs/dbraw/zinc/86/81/59/572868159.db2.gz QWBWAZUFRHMVFV-UHFFFAOYSA-N 0 0 174.228 2.410 10 30 AEEERN C#CCCCN1CCC[C@@H]1C(F)F 308155020 572868178 /nfs/dbraw/zinc/86/81/78/572868178.db2.gz AGHIFUOSZDJYDL-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN C[C@H]1CCC[C@@]2(C#N)CCCCN12 75568865 572868234 /nfs/dbraw/zinc/86/82/34/572868234.db2.gz DLBBLFNSEDTZBU-WDEREUQCSA-N 0 0 178.279 2.307 10 30 AEEERN C[C@H](CC=O)C(=O)c1ccccc1 75566565 572868287 /nfs/dbraw/zinc/86/82/87/572868287.db2.gz ACBSSJOCGBAYND-SECBINFHSA-N 0 0 176.215 2.094 10 30 AEEERN C=CCn1c(C)cc(CC#N)c1C 75564864 572868303 /nfs/dbraw/zinc/86/83/03/572868303.db2.gz UYPMDCXGUGUQKT-UHFFFAOYSA-N 0 0 174.247 2.357 10 30 AEEERN CCCCC(=O)O[C@H](C)CC#N 307966857 572868355 /nfs/dbraw/zinc/86/83/55/572868355.db2.gz CPBONMRLPUTGHZ-MRVPVSSYSA-N 0 0 169.224 2.022 10 30 AEEERN N#Cc1nc(C2CC2)[nH]c1-c1cc[nH]c1 77595711 572868390 /nfs/dbraw/zinc/86/83/90/572868390.db2.gz DZNBIGDHODVZDD-UHFFFAOYSA-N 0 0 198.229 2.154 10 30 AEEERN C[C@H]1CSC(C)(C)C[C@H]1C=O 75563026 572868393 /nfs/dbraw/zinc/86/83/93/572868393.db2.gz JMEVIPNOPWASBR-YUMQZZPRSA-N 0 0 172.293 2.353 10 30 AEEERN Cc1nc(C#N)c(-c2ccccc2)[nH]1 77595418 572868450 /nfs/dbraw/zinc/86/84/50/572868450.db2.gz KOWCLNORKMHSHF-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN CCCCN=Nc1ccncc1 307966307 572868502 /nfs/dbraw/zinc/86/85/02/572868502.db2.gz CCAWLWFYERVJFI-UHFFFAOYSA-N 0 0 163.224 2.279 10 30 AEEERN C[C@@H](CC(=O)OCC#N)C(C)(C)C 308154565 572868516 /nfs/dbraw/zinc/86/85/16/572868516.db2.gz QLZAJYOCJQEKNI-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN C#CCCOC(=O)[C@@H](C)CC(C)C 308154567 572868526 /nfs/dbraw/zinc/86/85/26/572868526.db2.gz QMCIJCKLISFIBP-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN C[C@@H](CC=O)C(=O)c1ccccc1 75566560 572868527 /nfs/dbraw/zinc/86/85/27/572868527.db2.gz ACBSSJOCGBAYND-VIFPVBQESA-N 0 0 176.215 2.094 10 30 AEEERN CCCCC(=O)O[C@@H](C)CC#N 307966859 572868614 /nfs/dbraw/zinc/86/86/14/572868614.db2.gz CPBONMRLPUTGHZ-QMMMGPOBSA-N 0 0 169.224 2.022 10 30 AEEERN COC[C@@H](C#N)S[C@@H](C)C(C)C 307966067 572868743 /nfs/dbraw/zinc/86/87/43/572868743.db2.gz BXJOQOZZRQMTCX-DTWKUNHWSA-N 0 0 187.308 2.303 10 30 AEEERN Cc1nc(C#N)c(-c2cccs2)[nH]1 77595616 572868755 /nfs/dbraw/zinc/86/87/55/572868755.db2.gz VDRCCSAGVMFBOQ-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN COCCC(=O)C1=CCCCCC1 234619672 572868784 /nfs/dbraw/zinc/86/87/84/572868784.db2.gz JBYXOISEZQJNOF-UHFFFAOYSA-N 0 0 182.263 2.483 10 30 AEEERN C=CC[C@@H](O)[C@]1(C)CCCCC1=O 307095324 572868864 /nfs/dbraw/zinc/86/88/64/572868864.db2.gz OTNXHPQAQXDKGU-KOLCDFICSA-N 0 0 182.263 2.073 10 30 AEEERN CC1=CC=C(C(C)(C)CC=O)OC1 75570093 572870661 /nfs/dbraw/zinc/87/06/61/572870661.db2.gz QTAZCPAWJYXYEH-UHFFFAOYSA-N 0 0 180.247 2.462 10 30 AEEERN COC[C@@H](C#N)S[C@H](C)C(C)C 307966069 572868911 /nfs/dbraw/zinc/86/89/11/572868911.db2.gz BXJOQOZZRQMTCX-RKDXNWHRSA-N 0 0 187.308 2.303 10 30 AEEERN C=C[C@H]1CCCC[C@]1(C=O)COC 75576106 572870664 /nfs/dbraw/zinc/87/06/64/572870664.db2.gz HXPVQBBABXJYSJ-QWRGUYRKSA-N 0 0 182.263 2.194 10 30 AEEERN C=CCCC[C@@]1(C#N)CCOC1 307966737 572868946 /nfs/dbraw/zinc/86/89/46/572868946.db2.gz RTEWIMBMEIEEHG-JTQLQIEISA-N 0 0 165.236 2.273 10 30 AEEERN C#CCCSCCOC1CCC1 307966243 572869045 /nfs/dbraw/zinc/86/90/45/572869045.db2.gz RMJSPABGWHAIQR-UHFFFAOYSA-N 0 0 184.304 2.312 10 30 AEEERN C=CC[C@H](C)C(C)=NNC1CC1 307965980 572869093 /nfs/dbraw/zinc/86/90/93/572869093.db2.gz RANOSJSCWUQMBJ-QMMMGPOBSA-N 0 0 166.268 2.327 10 30 AEEERN CCCC(=O)C1=CCC[C@H](C=O)C1 75570158 572869111 /nfs/dbraw/zinc/86/91/11/572869111.db2.gz GGWBJYOOOPHVED-VIFPVBQESA-N 0 0 180.247 2.281 10 30 AEEERN CC1=C([C@@H](C)CCC=O)CCC1=O 75570154 572869128 /nfs/dbraw/zinc/86/91/28/572869128.db2.gz IGTKREVPAKLKEJ-QMMMGPOBSA-N 0 0 180.247 2.281 10 30 AEEERN CCN(CC)c1sccc1C#N 75570311 572869295 /nfs/dbraw/zinc/86/92/95/572869295.db2.gz UDAVXZVJGSWGTC-UHFFFAOYSA-N 0 0 180.276 2.466 10 30 AEEERN C=C1c2ccccc2N=NN1CC#N 75576502 572869326 /nfs/dbraw/zinc/86/93/26/572869326.db2.gz OOVPOYBTJDWEHI-UHFFFAOYSA-N 0 0 184.202 2.495 10 30 AEEERN CCC(C=NNCC1CC1)CC 307966686 572869334 /nfs/dbraw/zinc/86/93/34/572869334.db2.gz CJJMOMPIFZHLCF-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN C[C@@H]1CC(=O)[C@@H](CCC#N)CS1 75576325 572869335 /nfs/dbraw/zinc/86/93/35/572869335.db2.gz JYNSLZSNWYTVBK-SFYZADRCSA-N 0 0 183.276 2.001 10 30 AEEERN C[C@H]1CC(=O)[C@H](CCC#N)CS1 75576324 572869367 /nfs/dbraw/zinc/86/93/67/572869367.db2.gz JYNSLZSNWYTVBK-JGVFFNPUSA-N 0 0 183.276 2.001 10 30 AEEERN CCCCC[C@@H]1C(=O)CC[C@H]1C=O 75576086 572869465 /nfs/dbraw/zinc/86/94/65/572869465.db2.gz SXWYYTDKCCDPDJ-UWVGGRQHSA-N 0 0 182.263 2.361 10 30 AEEERN C=CCCC[C@]1(C#N)CCOC1 307966745 572869468 /nfs/dbraw/zinc/86/94/68/572869468.db2.gz RTEWIMBMEIEEHG-SNVBAGLBSA-N 0 0 165.236 2.273 10 30 AEEERN C=C[C@](C)(C=O)C1(O)CCCCC1 75576100 572869470 /nfs/dbraw/zinc/86/94/70/572869470.db2.gz SOOUUMFMEBHDIB-SNVBAGLBSA-N 0 0 182.263 2.073 10 30 AEEERN C=C[C@@H]1CCCC[C@@]1(C=O)COC 75576107 572869545 /nfs/dbraw/zinc/86/95/45/572869545.db2.gz HXPVQBBABXJYSJ-GHMZBOCLSA-N 0 0 182.263 2.194 10 30 AEEERN C=C1C[C@H](CC)CCC1=O 145210907 572870749 /nfs/dbraw/zinc/87/07/49/572870749.db2.gz JPZGUZBUJKZFTK-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1C[C@H]2CC(=O)[C@H](C)[C@H]2C1 307087861 572869671 /nfs/dbraw/zinc/86/96/71/572869671.db2.gz LVSYSZSHKKCALS-HRDYMLBCSA-N 0 0 150.221 2.178 10 30 AEEERN CCC1=CC(=O)CC[C@@H]1CCC=O 75570095 572869708 /nfs/dbraw/zinc/86/97/08/572869708.db2.gz SYRLIJAITZXBSO-JTQLQIEISA-N 0 0 180.247 2.281 10 30 AEEERN C[C@H]1CCC[C@H](CCCC=O)C1=O 75576073 572869736 /nfs/dbraw/zinc/86/97/36/572869736.db2.gz BOKMXXQCGDDVRI-UWVGGRQHSA-N 0 0 182.263 2.361 10 30 AEEERN COC[C@H](C#N)S[C@@H](C)C(C)C 307966068 572869745 /nfs/dbraw/zinc/86/97/45/572869745.db2.gz BXJOQOZZRQMTCX-IUCAKERBSA-N 0 0 187.308 2.303 10 30 AEEERN C[C@H]1CCC[C@@H](CCCC=O)C1=O 75576075 572869749 /nfs/dbraw/zinc/86/97/49/572869749.db2.gz BOKMXXQCGDDVRI-VHSXEESVSA-N 0 0 182.263 2.361 10 30 AEEERN CCCCC[C@@H]1C(=O)CC[C@@H]1C=O 75576088 572869765 /nfs/dbraw/zinc/86/97/65/572869765.db2.gz SXWYYTDKCCDPDJ-ZJUUUORDSA-N 0 0 182.263 2.361 10 30 AEEERN COC[C@H](C#N)S[C@H](C)C(C)C 307966066 572869829 /nfs/dbraw/zinc/86/98/29/572869829.db2.gz BXJOQOZZRQMTCX-BDAKNGLRSA-N 0 0 187.308 2.303 10 30 AEEERN C=C[C@@](C)(C=O)C1(O)CCCCC1 75576101 572869855 /nfs/dbraw/zinc/86/98/55/572869855.db2.gz SOOUUMFMEBHDIB-JTQLQIEISA-N 0 0 182.263 2.073 10 30 AEEERN CC(=O)O[C@](C)(CCC#N)C(C)C 75576277 572869874 /nfs/dbraw/zinc/86/98/74/572869874.db2.gz XXRCCSUAQHFLNK-SNVBAGLBSA-N 0 0 183.251 2.268 10 30 AEEERN N#C[C@H]1Cc2ccccc2C[C@@H]1C#N 75576000 572871148 /nfs/dbraw/zinc/87/11/48/572871148.db2.gz ZUXWLZJSNANPAN-VXGBXAGGSA-N 0 0 182.226 2.065 10 30 AEEERN CCC/C=C/CN(CC)CC#N 307966726 572869941 /nfs/dbraw/zinc/86/99/41/572869941.db2.gz CLEXHRYBWGTJDG-VOTSOKGWSA-N 0 0 166.268 2.188 10 30 AEEERN COC(=O)CC[C@@H](C)C(C)(C)C#N 75576304 572869978 /nfs/dbraw/zinc/86/99/78/572869978.db2.gz KAFKUBILYPDECK-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN C=C[C@@H](C)OC(=O)CCCSC 308156660 572870050 /nfs/dbraw/zinc/87/00/50/572870050.db2.gz PFSAPJLQQLYJLU-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN CC(=O)OC1CCC(CC#N)CC1 75575696 572870119 /nfs/dbraw/zinc/87/01/19/572870119.db2.gz HVXMBYKHSHYJHM-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN CCC[C@](C#N)(C(=O)OC)C(C)C 75576285 572870160 /nfs/dbraw/zinc/87/01/60/572870160.db2.gz QSEVBUXCRPISAG-SNVBAGLBSA-N 0 0 183.251 2.125 10 30 AEEERN CCCCC[C@H]1C(=O)CC[C@@H]1C=O 75576087 572871377 /nfs/dbraw/zinc/87/13/77/572871377.db2.gz SXWYYTDKCCDPDJ-NXEZZACHSA-N 0 0 182.263 2.361 10 30 AEEERN CC(=O)OC1(CCC#N)CCCC1 75575665 572870200 /nfs/dbraw/zinc/87/02/00/572870200.db2.gz DGLVEMQRNDKLKH-UHFFFAOYSA-N 0 0 181.235 2.166 10 30 AEEERN CCCC(=O)C1=CCC[C@@H](C=O)C1 75570160 572870206 /nfs/dbraw/zinc/87/02/06/572870206.db2.gz GGWBJYOOOPHVED-SECBINFHSA-N 0 0 180.247 2.281 10 30 AEEERN O=CCCC/C=C1\CCCCC1=O 75570176 572870212 /nfs/dbraw/zinc/87/02/12/572870212.db2.gz ZDFUVEPIOKGZHO-UXBLZVDNSA-N 0 0 180.247 2.425 10 30 AEEERN CCC[C@@](C#N)(C(=O)OC)C(C)C 75576286 572870253 /nfs/dbraw/zinc/87/02/53/572870253.db2.gz QSEVBUXCRPISAG-JTQLQIEISA-N 0 0 183.251 2.125 10 30 AEEERN N#Cc1cnnc(-c2ccccc2)c1 75570564 572870278 /nfs/dbraw/zinc/87/02/78/572870278.db2.gz HDMRHNZAUOGMDP-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN C[C@H]1CC(=O)[C@@H](CCC#N)CS1 75576326 572870289 /nfs/dbraw/zinc/87/02/89/572870289.db2.gz JYNSLZSNWYTVBK-YUMQZZPRSA-N 0 0 183.276 2.001 10 30 AEEERN CCCCC[C@@]1(C#N)CCOC1=O 75575662 572870322 /nfs/dbraw/zinc/87/03/22/572870322.db2.gz FQKSDISFLKFHIR-JTQLQIEISA-N 0 0 181.235 2.024 10 30 AEEERN C#Cc1csc(C(F)(F)F)n1 307039247 572870376 /nfs/dbraw/zinc/87/03/76/572870376.db2.gz JNKCOCLXTLHVKH-UHFFFAOYSA-N 0 0 177.150 2.143 10 30 AEEERN CCCCC[C@H]1C(=O)CC[C@H]1C=O 75576085 572870422 /nfs/dbraw/zinc/87/04/22/572870422.db2.gz SXWYYTDKCCDPDJ-VHSXEESVSA-N 0 0 182.263 2.361 10 30 AEEERN CC(=O)O[C@@](C)(CCC#N)C(C)C 75576278 572870477 /nfs/dbraw/zinc/87/04/77/572870477.db2.gz XXRCCSUAQHFLNK-JTQLQIEISA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@H](C)OC(=O)CCCSC 308156673 572870501 /nfs/dbraw/zinc/87/05/01/572870501.db2.gz PFSAPJLQQLYJLU-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=CC(C)(C)[C@@H](C#N)N(CC)CC 75570331 572871385 /nfs/dbraw/zinc/87/13/85/572871385.db2.gz MBLWBHHORBLSOM-SNVBAGLBSA-N 0 0 180.295 2.433 10 30 AEEERN CCCCC[C@]1(C#N)CCOC1=O 75575661 572870535 /nfs/dbraw/zinc/87/05/35/572870535.db2.gz FQKSDISFLKFHIR-SNVBAGLBSA-N 0 0 181.235 2.024 10 30 AEEERN C=CCCON=C(N)CCCC 307966884 572870580 /nfs/dbraw/zinc/87/05/80/572870580.db2.gz CPSXPZJBLJZNKD-UHFFFAOYSA-N 0 0 170.256 2.042 10 30 AEEERN C=C(CC)C[N@H+](CC(=O)[O-])C(C)(C)C 86137403 572870583 /nfs/dbraw/zinc/87/05/83/572870583.db2.gz FLTMAYBGEXWYHF-UHFFFAOYSA-N 0 0 199.294 2.138 10 30 AEEERN C#CCCOC(=O)/C=C/C(C)(C)C 308157115 572870602 /nfs/dbraw/zinc/87/06/02/572870602.db2.gz SDSNTKPWMWWVSP-BQYQJAHWSA-N 0 0 180.247 2.155 10 30 AEEERN C=C[C@@H]1CCCC[C@]1(C=O)COC 75576108 572870669 /nfs/dbraw/zinc/87/06/69/572870669.db2.gz HXPVQBBABXJYSJ-MNOVXSKESA-N 0 0 182.263 2.194 10 30 AEEERN CC1=C([C@H](C)CCC=O)CCC1=O 75570157 572870688 /nfs/dbraw/zinc/87/06/88/572870688.db2.gz IGTKREVPAKLKEJ-MRVPVSSYSA-N 0 0 180.247 2.281 10 30 AEEERN C[C@@H]1CCC[C@H](CCCC=O)C1=O 75576072 572870818 /nfs/dbraw/zinc/87/08/18/572870818.db2.gz BOKMXXQCGDDVRI-ZJUUUORDSA-N 0 0 182.263 2.361 10 30 AEEERN N#CCCc1cnnc2ccccc12 75576261 572870831 /nfs/dbraw/zinc/87/08/31/572870831.db2.gz HGJYQLFLJYBRFQ-UHFFFAOYSA-N 0 0 183.214 2.086 10 30 AEEERN C=C[C@H](CO)CC=C(C)C 196561997 572870838 /nfs/dbraw/zinc/87/08/38/572870838.db2.gz ARKRKLKLRNPJHK-VIFPVBQESA-N 0 0 140.226 2.137 10 30 AEEERN C=CC[C@@H](C)C(C)=NNC1CC1 307965979 572870875 /nfs/dbraw/zinc/87/08/75/572870875.db2.gz RANOSJSCWUQMBJ-MRVPVSSYSA-N 0 0 166.268 2.327 10 30 AEEERN C=CC[C@H](O)CCCOC(C)C 689508421 572870901 /nfs/dbraw/zinc/87/09/01/572870901.db2.gz RQHMPTNZSDINKK-JTQLQIEISA-N 0 0 172.268 2.129 10 30 AEEERN CCC/C=C\CN(CC)CC#N 307966725 572870906 /nfs/dbraw/zinc/87/09/06/572870906.db2.gz CLEXHRYBWGTJDG-SREVYHEPSA-N 0 0 166.268 2.188 10 30 AEEERN N#C[C@H]1Cc2ccccc2C[C@H]1C#N 75575999 572871024 /nfs/dbraw/zinc/87/10/24/572871024.db2.gz ZUXWLZJSNANPAN-TXEJJXNPSA-N 0 0 182.226 2.065 10 30 AEEERN N#Cc1c2n(c3ccccc13)CCC2 75575998 572871028 /nfs/dbraw/zinc/87/10/28/572871028.db2.gz WPOOGMJXAJVSLC-UHFFFAOYSA-N 0 0 182.226 2.459 10 30 AEEERN CCCCON=C(N)CC(C)C 307966659 572871062 /nfs/dbraw/zinc/87/10/62/572871062.db2.gz CHWPKPVVOYCJAW-UHFFFAOYSA-N 0 0 172.272 2.121 10 30 AEEERN C=C[C@@H](CO)CC=C(C)C 196562010 572871092 /nfs/dbraw/zinc/87/10/92/572871092.db2.gz ARKRKLKLRNPJHK-SECBINFHSA-N 0 0 140.226 2.137 10 30 AEEERN C=C[C@H]1CCCC[C@@]1(C=O)COC 75576105 572871128 /nfs/dbraw/zinc/87/11/28/572871128.db2.gz HXPVQBBABXJYSJ-WDEREUQCSA-N 0 0 182.263 2.194 10 30 AEEERN C[C@@H]1CC(=O)[C@H](CCC#N)CS1 75576323 572871191 /nfs/dbraw/zinc/87/11/91/572871191.db2.gz JYNSLZSNWYTVBK-HTQZYQBOSA-N 0 0 183.276 2.001 10 30 AEEERN C[C@@H]1CCC[C@@H](CCCC=O)C1=O 75576074 572871296 /nfs/dbraw/zinc/87/12/96/572871296.db2.gz BOKMXXQCGDDVRI-NXEZZACHSA-N 0 0 182.263 2.361 10 30 AEEERN COC(=O)CC[C@H](C)C(C)(C)C#N 75576303 572871316 /nfs/dbraw/zinc/87/13/16/572871316.db2.gz KAFKUBILYPDECK-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN C=CC(C)(C)[C@H](C#N)N(CC)CC 75570330 572871320 /nfs/dbraw/zinc/87/13/20/572871320.db2.gz MBLWBHHORBLSOM-JTQLQIEISA-N 0 0 180.295 2.433 10 30 AEEERN CCCc1nc(C#N)c(SC)o1 75576033 572871346 /nfs/dbraw/zinc/87/13/46/572871346.db2.gz CFOSKTSMAHYAMJ-UHFFFAOYSA-N 0 0 182.248 2.221 10 30 AEEERN CC(C)[C@@H](C)N(CC#N)C1CC1 307966962 572871446 /nfs/dbraw/zinc/87/14/46/572871446.db2.gz RWCNEVOLVKFCRK-SECBINFHSA-N 0 0 166.268 2.019 10 30 AEEERN C#CCCOC(=O)/C=C\C(C)(C)C 308157116 572871718 /nfs/dbraw/zinc/87/17/18/572871718.db2.gz SDSNTKPWMWWVSP-FPLPWBNLSA-N 0 0 180.247 2.155 10 30 AEEERN CC[C@@H](C)ON=C(C)[C@@H](C)OC 307967440 572871710 /nfs/dbraw/zinc/87/17/10/572871710.db2.gz DEMYVNZFOWYCHR-VXNVDRBHSA-N 0 0 173.256 2.212 10 30 AEEERN C#C[C@@H](C)OC(=O)c1ccc(Cl)o1 307056591 572871850 /nfs/dbraw/zinc/87/18/50/572871850.db2.gz VRKCZWDIBCRWFG-ZCFIWIBFSA-N 0 0 198.605 2.112 10 30 AEEERN C[C@H]1N=C(c2ccccc2)C[C@H]1C#N 75576636 572871854 /nfs/dbraw/zinc/87/18/54/572871854.db2.gz KDHHLKSHPRZOFY-KOLCDFICSA-N 0 0 184.242 2.408 10 30 AEEERN C[C@H]1N=C(c2ccccc2)C[C@@H]1C#N 75576640 572871898 /nfs/dbraw/zinc/87/18/98/572871898.db2.gz KDHHLKSHPRZOFY-MWLCHTKSSA-N 0 0 184.242 2.408 10 30 AEEERN C[C@@H]1N=C(c2ccccc2)C[C@@H]1C#N 75576642 572871925 /nfs/dbraw/zinc/87/19/25/572871925.db2.gz KDHHLKSHPRZOFY-GXSJLCMTSA-N 0 0 184.242 2.408 10 30 AEEERN CCCCCNN=C[C@@H]1C[C@H]1C 307967208 572871975 /nfs/dbraw/zinc/87/19/75/572871975.db2.gz CVLBWFMJKDHQIG-ZJUUUORDSA-N 0 0 168.284 2.408 10 30 AEEERN CC(C)(C)C(O)=C(C=O)C(C)(C)C 75576693 572871881 /nfs/dbraw/zinc/87/18/81/572871881.db2.gz HPZAWIAXKCRWQM-QMMMGPOBSA-N 0 0 184.279 2.463 10 30 AEEERN CC(C)(C)C(O)=C(C=O)C(C)(C)C 75576694 572872037 /nfs/dbraw/zinc/87/20/37/572872037.db2.gz HPZAWIAXKCRWQM-MRVPVSSYSA-N 0 0 184.279 2.463 10 30 AEEERN C[C@@H]1N=C(c2ccccc2)C[C@H]1C#N 75576637 572872044 /nfs/dbraw/zinc/87/20/44/572872044.db2.gz KDHHLKSHPRZOFY-ONGXEEELSA-N 0 0 184.242 2.408 10 30 AEEERN C#CCCC(=O)c1ccc(C)c(C)n1 307017336 572872116 /nfs/dbraw/zinc/87/21/16/572872116.db2.gz AEPGJVLHWKOQDM-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN C[C@@H](O)CCCC1(C#N)CCC1 307967500 572872326 /nfs/dbraw/zinc/87/23/26/572872326.db2.gz SRCWMHBBNUPXBK-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN COc1cccc2c1CCC[C@@H]2C=O 75579789 572873060 /nfs/dbraw/zinc/87/30/60/572873060.db2.gz VKEWKAUQCRHTIP-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN CC(=O)c1ccccc1CCCC=O 75579797 572872568 /nfs/dbraw/zinc/87/25/68/572872568.db2.gz IZGBSZGTBVFORW-UHFFFAOYSA-N 0 0 190.242 2.411 10 30 AEEERN CCON(CC)c1cccc(C#N)c1 75579880 572872621 /nfs/dbraw/zinc/87/26/21/572872621.db2.gz AVLNWOHONHSJHM-UHFFFAOYSA-N 0 0 190.246 2.336 10 30 AEEERN CC(=O)CC[C@@H](C=O)c1ccccc1 75579803 572872635 /nfs/dbraw/zinc/87/26/35/572872635.db2.gz SVUJRGIZGQQCQY-LBPRGKRZSA-N 0 0 190.242 2.338 10 30 AEEERN CC(=O)c1ccc(C[C@@H](C)C=O)cc1 75579820 572872711 /nfs/dbraw/zinc/87/27/11/572872711.db2.gz NSHDCQDEOQUPLC-SECBINFHSA-N 0 0 190.242 2.267 10 30 AEEERN CC(C=O)=C(O)CCc1ccccc1 75579807 572872726 /nfs/dbraw/zinc/87/27/26/572872726.db2.gz JSGYVZXFSMTMCA-JTQLQIEISA-N 0 0 190.242 2.023 10 30 AEEERN C[C@@H](CC=O)CC(=O)c1ccccc1 75579824 572872737 /nfs/dbraw/zinc/87/27/37/572872737.db2.gz AUVXLUUNHLWDNE-JTQLQIEISA-N 0 0 190.242 2.485 10 30 AEEERN C=CCc1cc(/C=C/CO)ccc1O 75579769 572872792 /nfs/dbraw/zinc/87/27/92/572872792.db2.gz BSIOHLHUWBIODB-HWKANZROSA-N 0 0 190.242 2.126 10 30 AEEERN CC(C)(C=O)C(=O)Cc1ccccc1 75579787 572872819 /nfs/dbraw/zinc/87/28/19/572872819.db2.gz RUDWNUOSXSYKPQ-UHFFFAOYSA-N 0 0 190.242 2.023 10 30 AEEERN CCCCCNN=C[C@H]1C[C@@H]1C 307967207 572872860 /nfs/dbraw/zinc/87/28/60/572872860.db2.gz CVLBWFMJKDHQIG-VHSXEESVSA-N 0 0 168.284 2.408 10 30 AEEERN CCON(CC)c1ccccc1C#N 75579879 572872861 /nfs/dbraw/zinc/87/28/61/572872861.db2.gz BZSUJIMOEHGJEC-UHFFFAOYSA-N 0 0 190.246 2.336 10 30 AEEERN C=C(Cl)CN1CC[C@H](C)[C@H](F)C1 307031000 572872897 /nfs/dbraw/zinc/87/28/97/572872897.db2.gz JZTPLXNCFJJZOM-IONNQARKSA-N 0 0 191.677 2.419 10 30 AEEERN CC(=O)c1ccc(C[C@H](C)C=O)cc1 75579819 572872902 /nfs/dbraw/zinc/87/29/02/572872902.db2.gz NSHDCQDEOQUPLC-VIFPVBQESA-N 0 0 190.242 2.267 10 30 AEEERN C#C[C@@H]1CC=C[C@@H](C)[C@@H]1C 307018897 572872940 /nfs/dbraw/zinc/87/29/40/572872940.db2.gz XRWOLCUQMXMKPN-KXUCPTDWSA-N 0 0 134.222 2.468 10 30 AEEERN C[C@H](CC(O)=CC=O)c1ccccc1 75579840 572872979 /nfs/dbraw/zinc/87/29/79/572872979.db2.gz RHRORUUGLAHVIO-SNVBAGLBSA-N 0 0 190.242 2.338 10 30 AEEERN C[C@H](CC=O)CC(=O)c1ccccc1 75579825 572872994 /nfs/dbraw/zinc/87/29/94/572872994.db2.gz AUVXLUUNHLWDNE-SNVBAGLBSA-N 0 0 190.242 2.485 10 30 AEEERN CC(C=O)=C(O)CCc1ccccc1 75579808 572873020 /nfs/dbraw/zinc/87/30/20/572873020.db2.gz JSGYVZXFSMTMCA-SNVBAGLBSA-N 0 0 190.242 2.023 10 30 AEEERN C=C(C)COC(=O)[C@@H]1CC1(C)C 307967521 572873052 /nfs/dbraw/zinc/87/30/52/572873052.db2.gz SSVXOJWJKSWCPQ-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN COc1cccc2c1CCC[C@H]2C=O 75579791 572873064 /nfs/dbraw/zinc/87/30/64/572873064.db2.gz VKEWKAUQCRHTIP-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN CC[C@H](C)ON=C(C)[C@@H](C)OC 307967439 572873072 /nfs/dbraw/zinc/87/30/72/572873072.db2.gz DEMYVNZFOWYCHR-IONNQARKSA-N 0 0 173.256 2.212 10 30 AEEERN CC[C@H](C)ON=CCCCOC 307967232 572873094 /nfs/dbraw/zinc/87/30/94/572873094.db2.gz CWVMCHXFIXYWRZ-VIFPVBQESA-N 0 0 173.256 2.214 10 30 AEEERN CC(=NO)[C@H](C)Oc1ccccc1 307970538 572873206 /nfs/dbraw/zinc/87/32/06/572873206.db2.gz GJZFPKQDEFIFDH-VIFPVBQESA-N 0 0 179.219 2.304 10 30 AEEERN CC(C)N[C@@H](C#N)C1CCCC1 50272464 572873279 /nfs/dbraw/zinc/87/32/79/572873279.db2.gz GTYHMAMJDSGASU-JTQLQIEISA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@H](F)[C@@H]([NH3+])Cc1ccccc1 238613798 572873294 /nfs/dbraw/zinc/87/32/94/572873294.db2.gz DKONCMWNCNMIGG-QWRGUYRKSA-N 0 0 179.238 2.081 10 30 AEEERN C=CC[C@@H](Cc1csc(C)c1)NN 308161713 572873316 /nfs/dbraw/zinc/87/33/16/572873316.db2.gz XBZVCQROPMGCQL-JTQLQIEISA-N 0 0 196.319 2.007 10 30 AEEERN C=C(C)[C@@H]1CC[C@H]2O[C@H]2C1 307022668 572873337 /nfs/dbraw/zinc/87/33/37/572873337.db2.gz GWTBFUAMKASJAX-HLTSFMKQSA-N 0 0 138.210 2.130 10 30 AEEERN C#Cc1ccnn1CCCCC 307966939 572873358 /nfs/dbraw/zinc/87/33/58/572873358.db2.gz CSCPANQRSNPYSL-UHFFFAOYSA-N 0 0 162.236 2.055 10 30 AEEERN CC=C=CC(=O)c1c[nH]c2ncccc12 116640820 572873437 /nfs/dbraw/zinc/87/34/37/572873437.db2.gz DDDHNSTYGBWHOP-UHFFFAOYSA-N 0 0 198.225 2.159 10 30 AEEERN C=CC[C@@H](C=O)[C@H](C)C=C 75526388 572873513 /nfs/dbraw/zinc/87/35/13/572873513.db2.gz GRJQOHBTXFVSNN-BDAKNGLRSA-N 0 0 138.210 2.200 10 30 AEEERN CC[C@H](C)ON=C(C)[C@H](C)OC 307967438 572873547 /nfs/dbraw/zinc/87/35/47/572873547.db2.gz DEMYVNZFOWYCHR-CBAPKCEASA-N 0 0 173.256 2.212 10 30 AEEERN C=CC[C@H](C=O)[C@H](C)C=C 75526394 572873595 /nfs/dbraw/zinc/87/35/95/572873595.db2.gz GRJQOHBTXFVSNN-RKDXNWHRSA-N 0 0 138.210 2.200 10 30 AEEERN CCCC[C@H](C#N)CC#N 75525303 572873602 /nfs/dbraw/zinc/87/36/02/572873602.db2.gz MXSJHQLEGFDAPW-QMMMGPOBSA-N 0 0 136.198 2.230 10 30 AEEERN CC(C)=CC[NH2+]CC(C)(C)C#N 307967326 572873643 /nfs/dbraw/zinc/87/36/43/572873643.db2.gz SMPJBKCWUSIDRE-UHFFFAOYSA-N 0 0 166.268 2.092 10 30 AEEERN C=CC[C@H](C=O)[C@@H](C)C=C 75526391 572873646 /nfs/dbraw/zinc/87/36/46/572873646.db2.gz GRJQOHBTXFVSNN-DTWKUNHWSA-N 0 0 138.210 2.200 10 30 AEEERN C=C[C@H]([NH2+]C)c1cc(C)cc(C)n1 307048149 572873653 /nfs/dbraw/zinc/87/36/53/572873653.db2.gz PFPHLYIIYLZIHI-JTQLQIEISA-N 0 0 176.263 2.145 10 30 AEEERN C#C[C@]1(O)CCCC12CCCC2 307038869 572873666 /nfs/dbraw/zinc/87/36/66/572873666.db2.gz PROYGGSQDMSXKY-NSHDSACASA-N 0 0 164.248 2.095 10 30 AEEERN O=CCC[C@H]1O[C@H]1c1ccccc1 238614159 572873735 /nfs/dbraw/zinc/87/37/35/572873735.db2.gz HXTWMIVEEHCCKN-MNOVXSKESA-N 0 0 176.215 2.106 10 30 AEEERN C/C=C/C/C=C/CC#N 75520210 572873745 /nfs/dbraw/zinc/87/37/45/572873745.db2.gz PPWCZNFCSAJMBS-ZIMISOLQSA-N 0 0 121.183 2.422 10 30 AEEERN C[C@H]1CC=C[C@H](C#N)C1 75520178 572873787 /nfs/dbraw/zinc/87/37/87/572873787.db2.gz JLXWFFANKDBXAJ-YUMQZZPRSA-N 0 0 121.183 2.112 10 30 AEEERN C=CCSCC(=O)OCC(=C)C 307967323 572873804 /nfs/dbraw/zinc/87/38/04/572873804.db2.gz SMFWQNOZPUBDRN-UHFFFAOYSA-N 0 0 186.276 2.025 10 30 AEEERN C[C@H](O)CCCC1(C#N)CCC1 307967503 572873809 /nfs/dbraw/zinc/87/38/09/572873809.db2.gz SRCWMHBBNUPXBK-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H](C)ON=CCCCOC 307967231 572873913 /nfs/dbraw/zinc/87/39/13/572873913.db2.gz CWVMCHXFIXYWRZ-SECBINFHSA-N 0 0 173.256 2.214 10 30 AEEERN C[C@@H]1CC=C[C@H](C#N)C1 75520174 572874181 /nfs/dbraw/zinc/87/41/81/572874181.db2.gz JLXWFFANKDBXAJ-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN CCCC=NNCCC(F)(F)F 307967224 572873961 /nfs/dbraw/zinc/87/39/61/572873961.db2.gz CWMBPRLDUKSHKU-UHFFFAOYSA-N 0 0 182.189 2.314 10 30 AEEERN CC(C)[C@H](C)N(CC#N)C1CC1 307966963 572874012 /nfs/dbraw/zinc/87/40/12/572874012.db2.gz RWCNEVOLVKFCRK-VIFPVBQESA-N 0 0 166.268 2.019 10 30 AEEERN C/C=C\C/C=C\CC=O 75521195 572874111 /nfs/dbraw/zinc/87/41/11/572874111.db2.gz JXWOTJZICSULTA-QFBDUHRLSA-N 0 0 124.183 2.098 10 30 AEEERN C=C[C@H](C)c1noc(CSC)n1 308160996 572874131 /nfs/dbraw/zinc/87/41/31/572874131.db2.gz RGFLXIKQZNLVNI-LURJTMIESA-N 0 0 184.264 2.222 10 30 AEEERN C[C@H]1CC=C[C@@H](C#N)C1 75520188 572874263 /nfs/dbraw/zinc/87/42/63/572874263.db2.gz JLXWFFANKDBXAJ-JGVFFNPUSA-N 0 0 121.183 2.112 10 30 AEEERN C/C=C/C#C/C=C/Br 307031001 572874412 /nfs/dbraw/zinc/87/44/12/572874412.db2.gz OHVVZGDPCXGKDJ-BLWKUPHCSA-N 0 0 171.037 2.475 10 30 AEEERN CSC1=C[C@@H](C)C(C)(C)C1=O 196567908 572874432 /nfs/dbraw/zinc/87/44/32/572874432.db2.gz DMSYJRRNSWFMHA-ZCFIWIBFSA-N 0 0 170.277 2.478 10 30 AEEERN CSC1=C[C@H](C)C(C)(C)C1=O 196567922 572874941 /nfs/dbraw/zinc/87/49/41/572874941.db2.gz DMSYJRRNSWFMHA-LURJTMIESA-N 0 0 170.277 2.478 10 30 AEEERN C[C@H](C=O)C1(C)CCCC1 75527982 572874557 /nfs/dbraw/zinc/87/45/57/572874557.db2.gz NHWSGFQBQDPGLR-MRVPVSSYSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@@H]1C=C[C@H](C#N)CC1 75520202 572874602 /nfs/dbraw/zinc/87/46/02/572874602.db2.gz NAZCTVJIGXQDHW-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@@H]1CCC[C@H]1C#N 75520229 572874700 /nfs/dbraw/zinc/87/47/00/572874700.db2.gz FRAMMXDCYWITHQ-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@@H]1CCC[C@@H]1C#N 75520223 572874719 /nfs/dbraw/zinc/87/47/19/572874719.db2.gz FRAMMXDCYWITHQ-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@H]1CCC[C@H]1C#N 75520233 572874761 /nfs/dbraw/zinc/87/47/61/572874761.db2.gz FRAMMXDCYWITHQ-YUMQZZPRSA-N 0 0 121.183 2.112 10 30 AEEERN C[C@@H]1CC=C[C@@H](C#N)C1 75520183 572874798 /nfs/dbraw/zinc/87/47/98/572874798.db2.gz JLXWFFANKDBXAJ-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN C=CC[C@@H](C=O)C/C=C/C 75526398 572875002 /nfs/dbraw/zinc/87/50/02/572875002.db2.gz NPRDROWXWYGMPD-HYYFJVDXSA-N 0 0 138.210 2.344 10 30 AEEERN C=CC[C@H](C=O)C/C=C/C 75526401 572875092 /nfs/dbraw/zinc/87/50/92/572875092.db2.gz NPRDROWXWYGMPD-SGRBOOSSSA-N 0 0 138.210 2.344 10 30 AEEERN C[C@@H](C=O)C1(C)CCCC1 75527979 572875116 /nfs/dbraw/zinc/87/51/16/572875116.db2.gz NHWSGFQBQDPGLR-QMMMGPOBSA-N 0 0 140.226 2.402 10 30 AEEERN C=C(C)CC[C@@](C)(C#N)C(C)=O 307970766 572875912 /nfs/dbraw/zinc/87/59/12/572875912.db2.gz XGIVGSCYDPZXCY-JTQLQIEISA-N 0 0 165.236 2.462 10 30 AEEERN CC#C[C@@](C)(O)c1ccc(F)cc1 307025415 572875255 /nfs/dbraw/zinc/87/52/55/572875255.db2.gz XBHNRPHKTRRRET-LLVKDONJSA-N 0 0 178.206 2.057 10 30 AEEERN C=CCNN=CC(C)(C)CCC#N 308155570 572875312 /nfs/dbraw/zinc/87/53/12/572875312.db2.gz QYKFWDADXDUEBG-UHFFFAOYSA-N 0 0 179.267 2.078 10 30 AEEERN C=C[C@@H](C)[C@H](C)CC#N 75520796 572875439 /nfs/dbraw/zinc/87/54/39/572875439.db2.gz JCFJYSPGROMHQH-HTQZYQBOSA-N 0 0 123.199 2.358 10 30 AEEERN C=CCCCNc1cc(C)cnn1 308161233 572875391 /nfs/dbraw/zinc/87/53/91/572875391.db2.gz WUBQOTISEBWHRH-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C[C@H](O)C/N=C\c1ccc(Cl)cc1 308161875 572875459 /nfs/dbraw/zinc/87/54/59/572875459.db2.gz MRALRHHKXUWDLA-VQLBTBKJSA-N 0 0 197.665 2.140 10 30 AEEERN C=CC[C@H](Cc1csc(C)c1)NN 308161714 572875471 /nfs/dbraw/zinc/87/54/71/572875471.db2.gz XBZVCQROPMGCQL-SNVBAGLBSA-N 0 0 196.319 2.007 10 30 AEEERN C=CC[C@@H](C=O)[C@@H](C)C=C 75526385 572875507 /nfs/dbraw/zinc/87/55/07/572875507.db2.gz GRJQOHBTXFVSNN-IUCAKERBSA-N 0 0 138.210 2.200 10 30 AEEERN CC/C(C)=C\C=C\CC=O 75526373 572875959 /nfs/dbraw/zinc/87/59/59/572875959.db2.gz CQVWVZCYBGWFMB-ADNKFJFNSA-N 0 0 138.210 2.488 10 30 AEEERN CC#C[C@]1(O)CC[C@H](C)C[C@H]1C 307076956 572875555 /nfs/dbraw/zinc/87/55/55/572875555.db2.gz OWQPMZJKQBURQV-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C=C1CCCC[C@H]2CCC(=O)[C@@]12CO 307044878 572875622 /nfs/dbraw/zinc/87/56/22/572875622.db2.gz UODIMFLQNZKCPI-JQWIXIFHSA-N 0 0 194.274 2.074 10 30 AEEERN C=C[C@H]1CCC[C@@H]1C#N 75520227 572875969 /nfs/dbraw/zinc/87/59/69/572875969.db2.gz FRAMMXDCYWITHQ-JGVFFNPUSA-N 0 0 121.183 2.112 10 30 AEEERN C=C(C)CC[C@](C)(C#N)C(C)=O 307970767 572875711 /nfs/dbraw/zinc/87/57/11/572875711.db2.gz XGIVGSCYDPZXCY-SNVBAGLBSA-N 0 0 165.236 2.462 10 30 AEEERN C=C[C@H](C)[C@H](C)CC#N 75520788 572875751 /nfs/dbraw/zinc/87/57/51/572875751.db2.gz JCFJYSPGROMHQH-JGVFFNPUSA-N 0 0 123.199 2.358 10 30 AEEERN CCCC[C@@H](C#N)CC#N 75525307 572876020 /nfs/dbraw/zinc/87/60/20/572876020.db2.gz MXSJHQLEGFDAPW-MRVPVSSYSA-N 0 0 136.198 2.230 10 30 AEEERN C[C@@H]1C=CC[C@H](C#N)C1 75520171 572876064 /nfs/dbraw/zinc/87/60/64/572876064.db2.gz CFICLMKQCAZZAT-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN CC(C)(C)[C@H](C#N)CC#N 75525356 572876107 /nfs/dbraw/zinc/87/61/07/572876107.db2.gz VYEKPSSTMQXDEA-ZETCQYMHSA-N 0 0 136.198 2.086 10 30 AEEERN CC(C)(C)[C@@H](C#N)CC#N 75525360 572876138 /nfs/dbraw/zinc/87/61/38/572876138.db2.gz VYEKPSSTMQXDEA-SSDOTTSWSA-N 0 0 136.198 2.086 10 30 AEEERN C=C[C@@H](C)[C@@H](C)CC#N 75520792 572876233 /nfs/dbraw/zinc/87/62/33/572876233.db2.gz JCFJYSPGROMHQH-SFYZADRCSA-N 0 0 123.199 2.358 10 30 AEEERN C#CC[C@@H](C)OC(=O)C(F)=C(C)C 308158463 572876516 /nfs/dbraw/zinc/87/65/16/572876516.db2.gz SWHRRMOJOSJAFA-MRVPVSSYSA-N 0 0 184.210 2.205 10 30 AEEERN C#CCCCCOC(=O)C(C)(C)C 308161957 572876578 /nfs/dbraw/zinc/87/65/78/572876578.db2.gz VLVOTVYBRLUOKZ-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN CC(C)(C=O)C(C)(C)CC#N 75540376 572876661 /nfs/dbraw/zinc/87/66/61/572876661.db2.gz LKWKBGHBCCWJAU-UHFFFAOYSA-N 0 0 153.225 2.151 10 30 AEEERN CC1(C)OCCC[C@H]1CC#N 75540258 572876799 /nfs/dbraw/zinc/87/67/99/572876799.db2.gz RLZUUJBGXTWNGX-QMMMGPOBSA-N 0 0 153.225 2.105 10 30 AEEERN Cc1cnc(-c2ccccc2C#N)cn1 75597993 572876890 /nfs/dbraw/zinc/87/68/90/572876890.db2.gz PTFXBRPQFCCPIV-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CCC1=C(CC#N)CCC1 75537780 572876979 /nfs/dbraw/zinc/87/69/79/572876979.db2.gz OPTZHPYLFYAGQR-UHFFFAOYSA-N 0 0 146.193 2.294 10 30 AEEERN CCS[C@H](C)[C@H](C)C#N 75529306 572877027 /nfs/dbraw/zinc/87/70/27/572877027.db2.gz MBMIACHFRZPQBN-RNFRBKRXSA-N 0 0 143.255 2.288 10 30 AEEERN Cc1ccc(-c2cc(C#N)cnn2)cc1 75597976 572877042 /nfs/dbraw/zinc/87/70/42/572877042.db2.gz APLMXVOJDQKVDC-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC(C)C[C@H](C)N(CC#N)C1CC1 308162070 572877088 /nfs/dbraw/zinc/87/70/88/572877088.db2.gz VQTPGXKLVKVRQI-JTQLQIEISA-N 0 0 180.295 2.409 10 30 AEEERN N#Cc1ccc2c3c(cccc13)[C@H](O)C2 75597805 572877109 /nfs/dbraw/zinc/87/71/09/572877109.db2.gz GDMTWFQTSTUYKH-GFCCVEGCSA-N 0 0 195.221 2.301 10 30 AEEERN CC(C)C[C@@H](C)N(CC#N)C1CC1 308162071 572877112 /nfs/dbraw/zinc/87/71/12/572877112.db2.gz VQTPGXKLVKVRQI-SNVBAGLBSA-N 0 0 180.295 2.409 10 30 AEEERN O=C[C@@H]1C=C(Cl)CCC1 75529761 572877180 /nfs/dbraw/zinc/87/71/80/572877180.db2.gz ZVJFKPNDZPAXRC-LURJTMIESA-N 0 0 144.601 2.108 10 30 AEEERN C=C[C@@H](CC[C@@H](C)C#N)OC 75540354 572877213 /nfs/dbraw/zinc/87/72/13/572877213.db2.gz MPPLEKNPYKPHCE-BDAKNGLRSA-N 0 0 153.225 2.127 10 30 AEEERN CCC[C@](C)(O)[C@@H](C)CC#N 75542294 572877240 /nfs/dbraw/zinc/87/72/40/572877240.db2.gz BGQSFXSVUWMHJH-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN C=C[C@@H](CC[C@H](C)C#N)OC 75540351 572877242 /nfs/dbraw/zinc/87/72/42/572877242.db2.gz MPPLEKNPYKPHCE-IUCAKERBSA-N 0 0 153.225 2.127 10 30 AEEERN CC(C)=C[C@H]1C=CC[C@@H]1C=O 75538869 572877261 /nfs/dbraw/zinc/87/72/61/572877261.db2.gz VGRRIWCPQLKVFH-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN CCC[C@H](C#N)CCC(C)=O 75540311 572877322 /nfs/dbraw/zinc/87/73/22/572877322.db2.gz CLUIHUBRSRSUKS-VIFPVBQESA-N 0 0 153.225 2.295 10 30 AEEERN Cc1c(C#N)ncnc1-c1ccccc1 75597983 572877328 /nfs/dbraw/zinc/87/73/28/572877328.db2.gz CZXXYFYLGUUODA-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=C[C@H](C)OC(=O)C[C@@H](C)SC 308161993 572877348 /nfs/dbraw/zinc/87/73/48/572877348.db2.gz RTLMPZQFKPUGHP-JGVFFNPUSA-N 0 0 188.292 2.246 10 30 AEEERN C=C[C@@H](C)N(C)Cc1nc(C)cs1 308157676 572877363 /nfs/dbraw/zinc/87/73/63/572877363.db2.gz SIZHXZYXFRDOBE-SECBINFHSA-N 0 0 196.319 2.458 10 30 AEEERN CCC[C@](C)(O)[C@H](C)CC#N 75542298 572877390 /nfs/dbraw/zinc/87/73/90/572877390.db2.gz BGQSFXSVUWMHJH-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CCS[C@H](C)[C@@H](C)C#N 75529301 572877407 /nfs/dbraw/zinc/87/74/07/572877407.db2.gz MBMIACHFRZPQBN-NKWVEPMBSA-N 0 0 143.255 2.288 10 30 AEEERN CCCCCC[C@@H]1C[C@@H](C#N)C(=O)O1 75598095 572878121 /nfs/dbraw/zinc/87/81/21/572878121.db2.gz HCNNTFWNMBOUKI-VHSXEESVSA-N 0 0 195.262 2.412 10 30 AEEERN COc1ccc2c(C)c(C#N)cnc2c1 168173308 572877575 /nfs/dbraw/zinc/87/75/75/572877575.db2.gz VBUOQABOMBCQFC-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CC[C@H](C#N)C[C@H](C)C(C)=O 75540338 572877581 /nfs/dbraw/zinc/87/75/81/572877581.db2.gz GLRJGFWKDVTGRZ-CBAPKCEASA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)=C[C@@H]1C=CC[C@@H]1C=O 75538868 572877585 /nfs/dbraw/zinc/87/75/85/572877585.db2.gz VGRRIWCPQLKVFH-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN CCS[C@@H](C)[C@@H](C)C#N 75529298 572877635 /nfs/dbraw/zinc/87/76/35/572877635.db2.gz MBMIACHFRZPQBN-BQBZGAKWSA-N 0 0 143.255 2.288 10 30 AEEERN CC1(C)OCCC[C@@H]1CC#N 75540262 572877640 /nfs/dbraw/zinc/87/76/40/572877640.db2.gz RLZUUJBGXTWNGX-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN N#CCC1=C[C@H]2C=CC[C@H]2C1 75537609 572877654 /nfs/dbraw/zinc/87/76/54/572877654.db2.gz RFBSDBAQZVPADF-ZJUUUORDSA-N 0 0 145.205 2.422 10 30 AEEERN Cn1c(C#N)c(CC#N)c2ccccc21 75597971 572878556 /nfs/dbraw/zinc/87/85/56/572878556.db2.gz WYFYZOBDUJRJBN-UHFFFAOYSA-N 0 0 195.225 2.116 10 30 AEEERN O=C(C1=CCCCCC1)[C@@H]1CCOC1 50325458 572877753 /nfs/dbraw/zinc/87/77/53/572877753.db2.gz DYCVRWYSLZGOHO-LLVKDONJSA-N 0 0 194.274 2.483 10 30 AEEERN CCC[C@@H](C#N)CCC(C)=O 75540312 572877754 /nfs/dbraw/zinc/87/77/54/572877754.db2.gz CLUIHUBRSRSUKS-SECBINFHSA-N 0 0 153.225 2.295 10 30 AEEERN Cc1cnc(C#N)nc1-c1ccccc1 75597978 572877759 /nfs/dbraw/zinc/87/77/59/572877759.db2.gz CENWJMMVUOQWKH-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C[C@]1(C#N)C=Nc2ccccc21 75542642 572877819 /nfs/dbraw/zinc/87/78/19/572877819.db2.gz XZPUNRJZSUUEHE-JTQLQIEISA-N 0 0 156.188 2.184 10 30 AEEERN CC[C@@H](C#N)C[C@H](C)C(C)=O 75540340 572877832 /nfs/dbraw/zinc/87/78/32/572877832.db2.gz GLRJGFWKDVTGRZ-IONNQARKSA-N 0 0 153.225 2.151 10 30 AEEERN Cc1ncnc(C#N)c1-c1ccccc1 75597986 572877869 /nfs/dbraw/zinc/87/78/69/572877869.db2.gz RRXFLAIEWXDXHA-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#CCCc1ccc(OCCF)cc1 214721629 572878840 /nfs/dbraw/zinc/87/88/40/572878840.db2.gz QVWOXMDCNNWMRT-UHFFFAOYSA-N 0 0 193.221 2.491 10 30 AEEERN CC(C)=C[C@@H]1C=CC[C@H]1C=O 75538873 572877952 /nfs/dbraw/zinc/87/79/52/572877952.db2.gz VGRRIWCPQLKVFH-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN CCS[C@@H](C)[C@H](C)C#N 75529303 572877959 /nfs/dbraw/zinc/87/79/59/572877959.db2.gz MBMIACHFRZPQBN-RQJHMYQMSA-N 0 0 143.255 2.288 10 30 AEEERN C#CCCCCOC(=O)C(C)(C)F 308157942 572878844 /nfs/dbraw/zinc/87/88/44/572878844.db2.gz SMQLPCDEEZEAJU-UHFFFAOYSA-N 0 0 186.226 2.081 10 30 AEEERN CCC[C@@](C)(O)[C@H](C)CC#N 75542300 572877963 /nfs/dbraw/zinc/87/79/63/572877963.db2.gz BGQSFXSVUWMHJH-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CC(C)=C[C@H]1C=CC[C@H]1C=O 75538899 572878003 /nfs/dbraw/zinc/87/80/03/572878003.db2.gz VGRRIWCPQLKVFH-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@H](CC[C@@H](C)C#N)OC 75540350 572878021 /nfs/dbraw/zinc/87/80/21/572878021.db2.gz MPPLEKNPYKPHCE-RKDXNWHRSA-N 0 0 153.225 2.127 10 30 AEEERN N#CCC1=C[C@@H]2C=CC[C@@H]2C1 75537610 572878033 /nfs/dbraw/zinc/87/80/33/572878033.db2.gz RFBSDBAQZVPADF-VHSXEESVSA-N 0 0 145.205 2.422 10 30 AEEERN N#CCC1=C[C@H]2C=CC[C@@H]2C1 75537616 572878039 /nfs/dbraw/zinc/87/80/39/572878039.db2.gz RFBSDBAQZVPADF-NXEZZACHSA-N 0 0 145.205 2.422 10 30 AEEERN CC(C)c1c(C#N)cc(C#N)cc1C#N 75597954 572878044 /nfs/dbraw/zinc/87/80/44/572878044.db2.gz DWAAHIBKEJLLQW-UHFFFAOYSA-N 0 0 195.225 2.425 10 30 AEEERN CCCCCC[C@@H]1C[C@H](C#N)C(=O)O1 75598091 572878085 /nfs/dbraw/zinc/87/80/85/572878085.db2.gz HCNNTFWNMBOUKI-NXEZZACHSA-N 0 0 195.262 2.412 10 30 AEEERN CCO[C@H](C)[C@@H](C)CCC#N 75542245 572878145 /nfs/dbraw/zinc/87/81/45/572878145.db2.gz KLKYOOPLIIIVPS-DTWKUNHWSA-N 0 0 155.241 2.351 10 30 AEEERN C=C(C)[C@@H](OCC)[C@@H](C)C#N 75540189 572878161 /nfs/dbraw/zinc/87/81/61/572878161.db2.gz JMLLUPSDTOCLEE-DTWKUNHWSA-N 0 0 153.225 2.127 10 30 AEEERN CCO[C@H](C)[C@H](C)CCC#N 75542248 572878176 /nfs/dbraw/zinc/87/81/76/572878176.db2.gz KLKYOOPLIIIVPS-RKDXNWHRSA-N 0 0 155.241 2.351 10 30 AEEERN N#Cc1ccc2c3c(cccc13)[C@@H](O)C2 75597811 572878190 /nfs/dbraw/zinc/87/81/90/572878190.db2.gz GDMTWFQTSTUYKH-LBPRGKRZSA-N 0 0 195.221 2.301 10 30 AEEERN N#Cc1cccc(-c2ccccn2)c1N 75597945 572878196 /nfs/dbraw/zinc/87/81/96/572878196.db2.gz FFRQLCXZXJSANN-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN O=C(C1=CCCCCC1)[C@H]1CCOC1 50325459 572878210 /nfs/dbraw/zinc/87/82/10/572878210.db2.gz DYCVRWYSLZGOHO-NSHDSACASA-N 0 0 194.274 2.483 10 30 AEEERN Cc1ncc(C#N)cc1-c1ccncc1 75597994 572878227 /nfs/dbraw/zinc/87/82/27/572878227.db2.gz MMVKROVBZFILBY-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC[C@@H](C#N)C[C@@H](C)C(C)=O 75540336 572878240 /nfs/dbraw/zinc/87/82/40/572878240.db2.gz GLRJGFWKDVTGRZ-VXNVDRBHSA-N 0 0 153.225 2.151 10 30 AEEERN CCC[C@@](C)(O)[C@@H](C)CC#N 75542296 572878341 /nfs/dbraw/zinc/87/83/41/572878341.db2.gz BGQSFXSVUWMHJH-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN O=C[C@H]1C=C(Cl)CCC1 75529764 572878388 /nfs/dbraw/zinc/87/83/88/572878388.db2.gz ZVJFKPNDZPAXRC-ZCFIWIBFSA-N 0 0 144.601 2.108 10 30 AEEERN N#CCC1=C[C@@H]2C=CC[C@H]2C1 75537607 572878404 /nfs/dbraw/zinc/87/84/04/572878404.db2.gz RFBSDBAQZVPADF-UWVGGRQHSA-N 0 0 145.205 2.422 10 30 AEEERN CCCCCC[C@H]1C[C@H](C#N)C(=O)O1 75598093 572878490 /nfs/dbraw/zinc/87/84/90/572878490.db2.gz HCNNTFWNMBOUKI-ZJUUUORDSA-N 0 0 195.262 2.412 10 30 AEEERN C=CCC[C@]1(O)C[C@H](C)[C@H]1C 307011255 572878872 /nfs/dbraw/zinc/87/88/72/572878872.db2.gz OQFIWMSWSMKNFE-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@@H](OCC)[C@H](C)C#N 75540196 572878664 /nfs/dbraw/zinc/87/86/64/572878664.db2.gz JMLLUPSDTOCLEE-RKDXNWHRSA-N 0 0 153.225 2.127 10 30 AEEERN CC(C)(C)C(CC#N)CC#N 75538986 572878692 /nfs/dbraw/zinc/87/86/92/572878692.db2.gz SNDCSHUHXVBKFJ-UHFFFAOYSA-N 0 0 150.225 2.476 10 30 AEEERN C#CC[C@@]1(O)CCCC12CCC2 307021117 572878880 /nfs/dbraw/zinc/87/88/80/572878880.db2.gz BYERNUWJYZHTBY-LLVKDONJSA-N 0 0 164.248 2.095 10 30 AEEERN C=CCN(C)c1cccc(N)c1C 307072403 572878781 /nfs/dbraw/zinc/87/87/81/572878781.db2.gz IFOHGZWIAALVMW-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN CCO[C@@H](C)[C@@H](C)CCC#N 75542243 572878795 /nfs/dbraw/zinc/87/87/95/572878795.db2.gz KLKYOOPLIIIVPS-IUCAKERBSA-N 0 0 155.241 2.351 10 30 AEEERN CCO[C@@H](C)[C@H](C)CCC#N 75542247 572879133 /nfs/dbraw/zinc/87/91/33/572879133.db2.gz KLKYOOPLIIIVPS-BDAKNGLRSA-N 0 0 155.241 2.351 10 30 AEEERN CCOCCC=NO[C@H](C)CC 308157910 572879111 /nfs/dbraw/zinc/87/91/11/572879111.db2.gz PVYNYMHSXODYQN-SECBINFHSA-N 0 0 173.256 2.214 10 30 AEEERN CCOCCC=NO[C@@H](C)CC 308157911 572879115 /nfs/dbraw/zinc/87/91/15/572879115.db2.gz PVYNYMHSXODYQN-VIFPVBQESA-N 0 0 173.256 2.214 10 30 AEEERN O=C(CS)OCC1CCCCC1 236608332 572879208 /nfs/dbraw/zinc/87/92/08/572879208.db2.gz SALXXRIJCGYAGH-UHFFFAOYSA-N 0 0 188.292 2.040 10 30 AEEERN N#Cc1ccc2c3c(cccc13)C[C@@H]2O 75597813 572879217 /nfs/dbraw/zinc/87/92/17/572879217.db2.gz ZUBXNDRCAGQZFO-LBPRGKRZSA-N 0 0 195.221 2.301 10 30 AEEERN Cc1nc(C#N)ncc1-c1ccccc1 75597980 572879227 /nfs/dbraw/zinc/87/92/27/572879227.db2.gz NVHXEDFRBRCXTH-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C=C[C@H](CC[C@H](C)C#N)OC 75540345 572879277 /nfs/dbraw/zinc/87/92/77/572879277.db2.gz MPPLEKNPYKPHCE-DTWKUNHWSA-N 0 0 153.225 2.127 10 30 AEEERN C=C(Cl)CNC(=O)/C=C/C(C)C 307970993 572879302 /nfs/dbraw/zinc/87/93/02/572879302.db2.gz XPNZHPPOSLZXMG-SNAWJCMRSA-N 0 0 187.670 2.067 10 30 AEEERN C=CCC1=C[C@H](O)C[C@@H](C)C1 307087514 572879749 /nfs/dbraw/zinc/87/97/49/572879749.db2.gz RSYJUMZVCXVZPU-WCBMZHEXSA-N 0 0 152.237 2.280 10 30 AEEERN CC#C[C@@H](O)C1(C)CCCCC1 307037877 572879763 /nfs/dbraw/zinc/87/97/63/572879763.db2.gz ZQYOYMHHOBAVLK-SNVBAGLBSA-N 0 0 166.264 2.341 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@@H]1[C@H](C)O 308158865 572879786 /nfs/dbraw/zinc/87/97/86/572879786.db2.gz WEQYFJSJODLMKA-AXFHLTTASA-N 0 0 184.279 2.271 10 30 AEEERN C=CCC(=O)OCc1cccs1 307970988 572879977 /nfs/dbraw/zinc/87/99/77/572879977.db2.gz XPGFJQYOARZYQG-UHFFFAOYSA-N 0 0 182.244 2.367 10 30 AEEERN CC#C[C@H](O)c1ccccc1OCC 307009627 572880098 /nfs/dbraw/zinc/88/00/98/572880098.db2.gz HXWJZTAOYCYRCH-NSHDSACASA-N 0 0 190.242 2.142 10 30 AEEERN C/C=C(\C)[C@H](C)C[C@@H](C#N)C(=O)OC 75598157 572880127 /nfs/dbraw/zinc/88/01/27/572880127.db2.gz CHWGJUYGLYLVKS-URNYOCNJSA-N 0 0 195.262 2.292 10 30 AEEERN CN(C)c1ncc2ccccc2c1C#N 75599968 572880683 /nfs/dbraw/zinc/88/06/83/572880683.db2.gz JEQRHPNVFJWYCJ-UHFFFAOYSA-N 0 0 197.241 2.172 10 30 AEEERN C/C=C(\C)[C@@H](C)C[C@@H](C#N)C(=O)OC 75598154 572880218 /nfs/dbraw/zinc/88/02/18/572880218.db2.gz CHWGJUYGLYLVKS-VCQGXKKCSA-N 0 0 195.262 2.292 10 30 AEEERN N#C[C@]1(c2ccccc2)C=CC(=O)CC1 75599867 572880372 /nfs/dbraw/zinc/88/03/72/572880372.db2.gz QPVOCHAGEOHGLA-ZDUSSCGKSA-N 0 0 197.237 2.367 10 30 AEEERN C=CCCCCNc1ncc(N)s1 308160422 572880389 /nfs/dbraw/zinc/88/03/89/572880389.db2.gz WLBGCBYGNDEFSC-UHFFFAOYSA-N 0 0 197.307 2.494 10 30 AEEERN COCC#CCSCC1CCC1 308158628 572880394 /nfs/dbraw/zinc/88/03/94/572880394.db2.gz QFUXZFQQLQFNRC-UHFFFAOYSA-N 0 0 184.304 2.170 10 30 AEEERN N#C[C@@]1(c2ccccc2)C=CC(=O)CC1 75599869 572880568 /nfs/dbraw/zinc/88/05/68/572880568.db2.gz QPVOCHAGEOHGLA-CYBMUJFWSA-N 0 0 197.237 2.367 10 30 AEEERN Cc1[nH]c(N)c(C#N)c1-c1ccccc1 75599928 572880619 /nfs/dbraw/zinc/88/06/19/572880619.db2.gz XBTFZXGMLHPKFI-UHFFFAOYSA-N 0 0 197.241 2.444 10 30 AEEERN C/C=C(\C)[C@@H](C)C[C@H](C#N)C(=O)OC 75598159 572880817 /nfs/dbraw/zinc/88/08/17/572880817.db2.gz CHWGJUYGLYLVKS-AIYFBYTFSA-N 0 0 195.262 2.292 10 30 AEEERN COC(=O)C[C@H](C#N)C1CCCCC1 75598103 572880654 /nfs/dbraw/zinc/88/06/54/572880654.db2.gz GOLMTVMJLVQMOL-SNVBAGLBSA-N 0 0 195.262 2.270 10 30 AEEERN N#Cc1ccc(-c2[nH]ccc2C=O)cc1 75599069 572881853 /nfs/dbraw/zinc/88/18/53/572881853.db2.gz AJKZPJYIEBBHNV-UHFFFAOYSA-N 0 0 196.209 2.366 10 30 AEEERN Cc1cccc(-n2cc(C#N)cc2N)c1 75599932 572880662 /nfs/dbraw/zinc/88/06/62/572880662.db2.gz RBKVEVJHRNYMPT-UHFFFAOYSA-N 0 0 197.241 2.240 10 30 AEEERN CC(C)[C@H](CCCC#N)C(=O)N(C)C 75599512 572880749 /nfs/dbraw/zinc/88/07/49/572880749.db2.gz DGVDWTPNJGMTAS-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN C[C@H]1C[C@](C=O)(CCC#N)CCS1 75600106 572880763 /nfs/dbraw/zinc/88/07/63/572880763.db2.gz NHOLLANVJLUBMA-UWVGGRQHSA-N 0 0 197.303 2.391 10 30 AEEERN C[C@@H]1C[C@](C=O)(CCC#N)CCS1 75600104 572880802 /nfs/dbraw/zinc/88/08/02/572880802.db2.gz NHOLLANVJLUBMA-ZJUUUORDSA-N 0 0 197.303 2.391 10 30 AEEERN C=CCCC[C@@](C)(C#N)C(C)=O 307972346 572880822 /nfs/dbraw/zinc/88/08/22/572880822.db2.gz YWQFKQJIDTWEJZ-JTQLQIEISA-N 0 0 165.236 2.462 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCCF 307971986 572880834 /nfs/dbraw/zinc/88/08/34/572880834.db2.gz YSKVGIRUMOVMIV-MRVPVSSYSA-N 0 0 174.215 2.101 10 30 AEEERN N#Cc1cc(=O)cc(-c2ccccc2)[nH]1 75599067 572880857 /nfs/dbraw/zinc/88/08/57/572880857.db2.gz UHKINPDCERELAH-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN CC(C)(O)CCC1=CC[C@@H](C=O)CC1 75599468 572880937 /nfs/dbraw/zinc/88/09/37/572880937.db2.gz QQZRTWCFUKPBRJ-LLVKDONJSA-N 0 0 196.290 2.463 10 30 AEEERN CC(CC1CC1)=NN[C@H](C)CC#N 308158959 572880938 /nfs/dbraw/zinc/88/09/38/572880938.db2.gz UAEUVSALNIMWQI-MRVPVSSYSA-N 0 0 179.267 2.054 10 30 AEEERN C=CCCCn1nccc1C(C)=O 308160307 572880923 /nfs/dbraw/zinc/88/09/23/572880923.db2.gz URZAFWOPUBCLNC-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN Cc1ccccc1-n1cc(C#N)cc1N 75599930 572880976 /nfs/dbraw/zinc/88/09/76/572880976.db2.gz SKOXGQOTVCWTPE-UHFFFAOYSA-N 0 0 197.241 2.240 10 30 AEEERN COC(=O)C[C@@H](C#N)C1CCCCC1 75598101 572881009 /nfs/dbraw/zinc/88/10/09/572881009.db2.gz GOLMTVMJLVQMOL-JTQLQIEISA-N 0 0 195.262 2.270 10 30 AEEERN N#Cc1ccc(-c2ccccc2)oc1=O 75599658 572881037 /nfs/dbraw/zinc/88/10/37/572881037.db2.gz VVQCLTWUIHSWCV-UHFFFAOYSA-N 0 0 197.193 2.178 10 30 AEEERN C=C(C)COC(=O)CCC(F)F 307972456 572881092 /nfs/dbraw/zinc/88/10/92/572881092.db2.gz ZBQQBZAXTSFOKZ-UHFFFAOYSA-N 0 0 178.178 2.151 10 30 AEEERN COC(=O)CC[C@](C)(C#N)C=C(C)C 75598117 572881127 /nfs/dbraw/zinc/88/11/27/572881127.db2.gz QKHSZJRCVIHJBF-NSHDSACASA-N 0 0 195.262 2.436 10 30 AEEERN COC(=O)CC/C(C)=C/C(C)(C)C#N 75598119 572881218 /nfs/dbraw/zinc/88/12/18/572881218.db2.gz BOFXTYKFWBUCJI-VQHVLOKHSA-N 0 0 195.262 2.436 10 30 AEEERN CCOCCC=NOC[C@@H](C)CC 308158691 572881247 /nfs/dbraw/zinc/88/12/47/572881247.db2.gz CJXXRDNDJUSYKZ-JTQLQIEISA-N 0 0 187.283 2.462 10 30 AEEERN CC(C)[C@@H](CCCC#N)C(=O)N(C)C 75599510 572881253 /nfs/dbraw/zinc/88/12/53/572881253.db2.gz DGVDWTPNJGMTAS-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN C#CC[C@@H](C)OC(=O)C1(C)CCC1 308160260 572881261 /nfs/dbraw/zinc/88/12/61/572881261.db2.gz UQCCFDHWALKFDI-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#CC[C@H](C)OC(=O)CCCC 307967692 572881284 /nfs/dbraw/zinc/88/12/84/572881284.db2.gz DHDXWFVSFZAJAE-VIFPVBQESA-N 0 0 168.236 2.132 10 30 AEEERN CC(=O)OC1CCC(CCC#N)CC1 75598120 572881372 /nfs/dbraw/zinc/88/13/72/572881372.db2.gz XBCCHRBDPLGBBU-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN C[C@H](C#N)c1ccsc1 50340057 572881384 /nfs/dbraw/zinc/88/13/84/572881384.db2.gz NGQRJRQNZYNRSW-ZCFIWIBFSA-N 0 0 137.207 2.375 10 30 AEEERN C=CCOC(=O)[C@H](C)[C@@H](C)C=C 307971808 572881388 /nfs/dbraw/zinc/88/13/88/572881388.db2.gz YKYGKVJDXWJETP-DTWKUNHWSA-N 0 0 168.236 2.174 10 30 AEEERN C#C[C@@H]1CC=C[C@H](C)[C@@H]1C 307018900 572881448 /nfs/dbraw/zinc/88/14/48/572881448.db2.gz XRWOLCUQMXMKPN-LPEHRKFASA-N 0 0 134.222 2.468 10 30 AEEERN C=C(C)CNN=CCCC1CC1 307972396 572881457 /nfs/dbraw/zinc/88/14/57/572881457.db2.gz YYHSWNRQCYADDY-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C/C=C(\C)[C@H](C)C[C@H](C#N)C(=O)OC 75598168 572881540 /nfs/dbraw/zinc/88/15/40/572881540.db2.gz CHWGJUYGLYLVKS-STFJZOTBSA-N 0 0 195.262 2.292 10 30 AEEERN C=CCOC(=O)[C@H](C)[C@H](C)C=C 307971811 572881541 /nfs/dbraw/zinc/88/15/41/572881541.db2.gz YKYGKVJDXWJETP-RKDXNWHRSA-N 0 0 168.236 2.174 10 30 AEEERN C=CC[C@H](O)c1c(C)nn(CC)c1C 307967867 572881554 /nfs/dbraw/zinc/88/15/54/572881554.db2.gz TZABUZOBHBHIBV-JTQLQIEISA-N 0 0 194.278 2.129 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCCF 307971987 572881597 /nfs/dbraw/zinc/88/15/97/572881597.db2.gz YSKVGIRUMOVMIV-QMMMGPOBSA-N 0 0 174.215 2.101 10 30 AEEERN C#CC[C@H](C)OC(=O)C1(C)CCC1 308160261 572881642 /nfs/dbraw/zinc/88/16/42/572881642.db2.gz UQCCFDHWALKFDI-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C=CCOC(=O)[C@@H](C)[C@@H](C)C=C 307971809 572881798 /nfs/dbraw/zinc/88/17/98/572881798.db2.gz YKYGKVJDXWJETP-IUCAKERBSA-N 0 0 168.236 2.174 10 30 AEEERN Cc1cc2nc(C)c(C#N)nc2cc1C 75599961 572881811 /nfs/dbraw/zinc/88/18/11/572881811.db2.gz DKNNBAPRHHOEJU-UHFFFAOYSA-N 0 0 197.241 2.427 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@H]1[C@H](C)O 308158866 572881834 /nfs/dbraw/zinc/88/18/34/572881834.db2.gz WEQYFJSJODLMKA-DCAQKATOSA-N 0 0 184.279 2.271 10 30 AEEERN COC(=O)CC[C@@](C)(C#N)C=C(C)C 75598110 572881879 /nfs/dbraw/zinc/88/18/79/572881879.db2.gz QKHSZJRCVIHJBF-LLVKDONJSA-N 0 0 195.262 2.436 10 30 AEEERN C=CC[C@H](O)c1cnc(C)c(C)c1 307095468 572883207 /nfs/dbraw/zinc/88/32/07/572883207.db2.gz GCXUSDAOKUUPTF-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN C[C@H]1C[C@@](C=O)(CCC#N)CCS1 75600110 572883295 /nfs/dbraw/zinc/88/32/95/572883295.db2.gz NHOLLANVJLUBMA-VHSXEESVSA-N 0 0 197.303 2.391 10 30 AEEERN C=CCOC(=O)[C@@H](C)[C@H](C)C=C 307971806 572882375 /nfs/dbraw/zinc/88/23/75/572882375.db2.gz YKYGKVJDXWJETP-BDAKNGLRSA-N 0 0 168.236 2.174 10 30 AEEERN CCC(CC)S[C@H](C#N)COC 307971745 572882406 /nfs/dbraw/zinc/88/24/06/572882406.db2.gz HRBBJOFBZGNDHO-SECBINFHSA-N 0 0 187.308 2.447 10 30 AEEERN Cc1ccc([C@H](O)CCC=O)s1 307967705 572882440 /nfs/dbraw/zinc/88/24/40/572882440.db2.gz SYFUGPLHSYGTOH-MRVPVSSYSA-N 0 0 184.260 2.069 10 30 AEEERN C=CCCC[C@](C)(C#N)C(C)=O 307972348 572882476 /nfs/dbraw/zinc/88/24/76/572882476.db2.gz YWQFKQJIDTWEJZ-SNVBAGLBSA-N 0 0 165.236 2.462 10 30 AEEERN C[C@H](C#N)n1ccc2ccccc2c1=O 75600481 572882599 /nfs/dbraw/zinc/88/25/99/572882599.db2.gz UWSMBYUATCSGIG-SECBINFHSA-N 0 0 198.225 2.086 10 30 AEEERN Cc1ccc([C@@H](O)CCC=O)s1 307967707 572882817 /nfs/dbraw/zinc/88/28/17/572882817.db2.gz SYFUGPLHSYGTOH-QMMMGPOBSA-N 0 0 184.260 2.069 10 30 AEEERN N#Cc1ccccc1C[C@@H]1CCCC1=O 75601318 572882852 /nfs/dbraw/zinc/88/28/52/572882852.db2.gz HMUZGLOMPKFUCB-NSHDSACASA-N 0 0 199.253 2.470 10 30 AEEERN CC(C)/C=C\C(=O)O[C@H](C)CC#N 308160649 572882878 /nfs/dbraw/zinc/88/28/78/572882878.db2.gz UXYGXFFHDNCWLR-XRVBUDJMSA-N 0 0 181.235 2.044 10 30 AEEERN CCC(CC)S[C@@H](C#N)COC 307971747 572882950 /nfs/dbraw/zinc/88/29/50/572882950.db2.gz HRBBJOFBZGNDHO-VIFPVBQESA-N 0 0 187.308 2.447 10 30 AEEERN CC(C)/C=C/C(=O)O[C@H](C)CC#N 308160647 572883085 /nfs/dbraw/zinc/88/30/85/572883085.db2.gz UXYGXFFHDNCWLR-XNPJLODASA-N 0 0 181.235 2.044 10 30 AEEERN N#Cc1cc(CO)oc1-c1ccccc1 75601105 572883139 /nfs/dbraw/zinc/88/31/39/572883139.db2.gz INBQVLQBKDUPQW-UHFFFAOYSA-N 0 0 199.209 2.311 10 30 AEEERN CC/C=C/C/C=C\C[C@@H]1O[C@@H]1CO 308165567 572883252 /nfs/dbraw/zinc/88/32/52/572883252.db2.gz QNLDXLAPCXMDNF-UNRAUMSXSA-N 0 0 182.263 2.049 10 30 AEEERN N#Cc1ccccc1C[C@H]1CCCC1=O 75601320 572883338 /nfs/dbraw/zinc/88/33/38/572883338.db2.gz HMUZGLOMPKFUCB-LLVKDONJSA-N 0 0 199.253 2.470 10 30 AEEERN C#CC[C@@H](C)OC(=O)CCCC 307967689 572883358 /nfs/dbraw/zinc/88/33/58/572883358.db2.gz DHDXWFVSFZAJAE-SECBINFHSA-N 0 0 168.236 2.132 10 30 AEEERN O=C[C@@H](Cc1ccccc1)n1cccc1 75601316 572883393 /nfs/dbraw/zinc/88/33/93/572883393.db2.gz TUZZVNLUYFGUPK-CYBMUJFWSA-N 0 0 199.253 2.471 10 30 AEEERN C=CC[C@@H](O)c1c(C)nn(CC)c1C 307967868 572883467 /nfs/dbraw/zinc/88/34/67/572883467.db2.gz TZABUZOBHBHIBV-SNVBAGLBSA-N 0 0 194.278 2.129 10 30 AEEERN C#CC[C@@H](C)OC(=O)CC1CCC1 308160721 572883479 /nfs/dbraw/zinc/88/34/79/572883479.db2.gz VAOOGAVAUBHJJY-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@](C)(O)[C@@H]1CC2CCC1CC2 307040849 572883482 /nfs/dbraw/zinc/88/34/82/572883482.db2.gz RDDHMGRYHZLNBF-KIDURHIOSA-N 0 0 178.275 2.197 10 30 AEEERN CC(C)/C=C\C(=O)O[C@@H](C)CC#N 308160645 572883563 /nfs/dbraw/zinc/88/35/63/572883563.db2.gz UXYGXFFHDNCWLR-WBSSQXGSSA-N 0 0 181.235 2.044 10 30 AEEERN CCOCC(C)=NO[C@H](C)CC 308160502 572883803 /nfs/dbraw/zinc/88/38/03/572883803.db2.gz REFBGDSTVLAZRA-SECBINFHSA-N 0 0 173.256 2.214 10 30 AEEERN CC/C=C\C/C=C/C[C@@H]1O[C@@H]1CO 308165559 572883816 /nfs/dbraw/zinc/88/38/16/572883816.db2.gz QNLDXLAPCXMDNF-JOZNSQQPSA-N 0 0 182.263 2.049 10 30 AEEERN Cc1oc2ccccc2c(=O)c1CC#N 75601088 572883947 /nfs/dbraw/zinc/88/39/47/572883947.db2.gz SUBQMUXXOZQMQR-UHFFFAOYSA-N 0 0 199.209 2.168 10 30 AEEERN N#CCc1ocnc1-c1ccccc1 75600655 572883957 /nfs/dbraw/zinc/88/39/57/572883957.db2.gz BIBIJZLMSAWXIB-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN Cc1ccc(C)n1N1C=CC(C#N)C=C1 75601364 572884109 /nfs/dbraw/zinc/88/41/09/572884109.db2.gz PWGZBIXIAUEXCJ-UHFFFAOYSA-N 0 0 199.257 2.224 10 30 AEEERN COc1ccc2c(C#N)c(O)ccc2c1 75601080 572884186 /nfs/dbraw/zinc/88/41/86/572884186.db2.gz GVFPAVRLGOZLGE-UHFFFAOYSA-N 0 0 199.209 2.426 10 30 AEEERN C[C@@H](C#N)n1ccc2ccccc2c1=O 75600479 572884197 /nfs/dbraw/zinc/88/41/97/572884197.db2.gz UWSMBYUATCSGIG-VIFPVBQESA-N 0 0 198.225 2.086 10 30 AEEERN CCCN(CC#N)CCCCCF 308160773 572884431 /nfs/dbraw/zinc/88/44/31/572884431.db2.gz WTFVSFMFMZDBHT-UHFFFAOYSA-N 0 0 186.274 2.362 10 30 AEEERN C#CC[C@H](C)OC(=O)CC1CCC1 308160723 572884464 /nfs/dbraw/zinc/88/44/64/572884464.db2.gz VAOOGAVAUBHJJY-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN CC(C)[C@@H]1NN=C(C#N)c2ccccc21 75601361 572884524 /nfs/dbraw/zinc/88/45/24/572884524.db2.gz FHXBTTSXWATOFZ-LBPRGKRZSA-N 0 0 199.257 2.215 10 30 AEEERN O=C[C@H](Cc1ccccc1)n1cccc1 75601312 572884535 /nfs/dbraw/zinc/88/45/35/572884535.db2.gz TUZZVNLUYFGUPK-ZDUSSCGKSA-N 0 0 199.253 2.471 10 30 AEEERN CC(C)/C=C/C(=O)O[C@@H](C)CC#N 308160644 572884584 /nfs/dbraw/zinc/88/45/84/572884584.db2.gz UXYGXFFHDNCWLR-MOVJSRMASA-N 0 0 181.235 2.044 10 30 AEEERN CC[C@@H](C)ON=Cc1ccc[nH]1 307968115 572884588 /nfs/dbraw/zinc/88/45/88/572884588.db2.gz DQJUNHHKEZJWPT-MRVPVSSYSA-N 0 0 166.224 2.164 10 30 AEEERN CS/C(=N/C#N)N1CCCCCC1 73738465 572884672 /nfs/dbraw/zinc/88/46/72/572884672.db2.gz COWMJUXPTWGJNI-PKNBQFBNSA-N 0 0 197.307 2.062 10 30 AEEERN C#CCSc1nccn1CCC 307969175 572884674 /nfs/dbraw/zinc/88/46/74/572884674.db2.gz FRZOMUBQRCRUDS-UHFFFAOYSA-N 0 0 180.276 2.018 10 30 AEEERN C=CCCC(C)N=NCC(=C)C 307969047 572884731 /nfs/dbraw/zinc/88/47/31/572884731.db2.gz VSSFUVMFGLDKEJ-UHFFFAOYSA-N 0 0 166.268 2.494 10 30 AEEERN CS/C(=N/C#N)N1CCCC[C@H]1C 73738481 572884741 /nfs/dbraw/zinc/88/47/41/572884741.db2.gz DDEMWHBOOFHJMN-ITCPUHJZSA-N 0 0 197.307 2.061 10 30 AEEERN C=CCc1noc([C@H](C)CC)n1 307968848 572884790 /nfs/dbraw/zinc/88/47/90/572884790.db2.gz FLWUYKMEPZSYGP-SSDOTTSWSA-N 0 0 166.224 2.312 10 30 AEEERN CC[C@H](C)ON=Cc1ccc[nH]1 307968116 572884793 /nfs/dbraw/zinc/88/47/93/572884793.db2.gz DQJUNHHKEZJWPT-QMMMGPOBSA-N 0 0 166.224 2.164 10 30 AEEERN N#CCc1ocnc1-c1cccs1 75600723 572884816 /nfs/dbraw/zinc/88/48/16/572884816.db2.gz BETSWBCWXIUMAC-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN N#Cc1c(N)c2c(c3c1CCC3)CCC2 75600788 572884821 /nfs/dbraw/zinc/88/48/21/572884821.db2.gz MBSKNOJGPKVWBZ-UHFFFAOYSA-N 0 0 198.269 2.118 10 30 AEEERN C=C[C@@H](O)C/C(C)=C\Cl 307028137 572884867 /nfs/dbraw/zinc/88/48/67/572884867.db2.gz KRCFHZAMOHUYDM-KXTMECRCSA-N 0 0 146.617 2.066 10 30 AEEERN CCCC(=O)O[C@](C)(C#N)CC 307969203 572884907 /nfs/dbraw/zinc/88/49/07/572884907.db2.gz FUQCMKCSLPGEMK-VIFPVBQESA-N 0 0 169.224 2.022 10 30 AEEERN CCCCON=Cc1ccco1 307968866 572884967 /nfs/dbraw/zinc/88/49/67/572884967.db2.gz FMSJCLRSQHZLHL-UHFFFAOYSA-N 0 0 167.208 2.430 10 30 AEEERN C=C(C)C1=CC[C@H](C)CC1=O 196570203 572885003 /nfs/dbraw/zinc/88/50/03/572885003.db2.gz ZJARYUUXFUVNRC-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCc1noc([C@@H](C)CC)n1 307968849 572885015 /nfs/dbraw/zinc/88/50/15/572885015.db2.gz FLWUYKMEPZSYGP-ZETCQYMHSA-N 0 0 166.224 2.312 10 30 AEEERN N#CCc1ocnc1-c1ccco1 75600721 572885048 /nfs/dbraw/zinc/88/50/48/572885048.db2.gz IEZCOHLXSUXEKP-UHFFFAOYSA-N 0 0 174.159 2.001 10 30 AEEERN C[C@@H]1C[C@@](C=O)(CCC#N)CCS1 75600108 572885067 /nfs/dbraw/zinc/88/50/67/572885067.db2.gz NHOLLANVJLUBMA-NXEZZACHSA-N 0 0 197.303 2.391 10 30 AEEERN CC(C)[C@H]1NN=C(C#N)c2ccccc21 75601360 572885072 /nfs/dbraw/zinc/88/50/72/572885072.db2.gz FHXBTTSXWATOFZ-GFCCVEGCSA-N 0 0 199.257 2.215 10 30 AEEERN C/C=C/C=C\[C@@H](O)C#C[Si](C)(C)C 308168086 572885097 /nfs/dbraw/zinc/88/50/97/572885097.db2.gz SNIQVPVTCSOYNV-XPJHWULBSA-N 0 0 194.350 2.360 10 30 AEEERN C(=NNCC1CCCC1)C1CC1 307968673 572885185 /nfs/dbraw/zinc/88/51/85/572885185.db2.gz VEWXYKQEZGBKDV-UHFFFAOYSA-N 0 0 166.268 2.162 10 30 AEEERN N#Cc1cccc2[nH]cc(CCC=O)c12 75600487 572885189 /nfs/dbraw/zinc/88/51/89/572885189.db2.gz CQZBANIRKFDFEA-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN C=CCNC(=O)C(C)(C)C(=C)Cl 308166525 572885318 /nfs/dbraw/zinc/88/53/18/572885318.db2.gz VBNPOEAWQNUMJF-UHFFFAOYSA-N 0 0 187.670 2.067 10 30 AEEERN C=CCCN(C)C(=O)/C=C\C(C)C 308167909 572885500 /nfs/dbraw/zinc/88/55/00/572885500.db2.gz YFKHELYMOGRACY-FPLPWBNLSA-N 0 0 181.279 2.233 10 30 AEEERN CCCCC(C)=NOCCOC 307968107 572885683 /nfs/dbraw/zinc/88/56/83/572885683.db2.gz DPZPZZFAYLKKSZ-UHFFFAOYSA-N 0 0 173.256 2.216 10 30 AEEERN C=C(C)C1=CC[C@@H](C)CC1=O 196570189 572885704 /nfs/dbraw/zinc/88/57/04/572885704.db2.gz ZJARYUUXFUVNRC-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCN(CC)Cc1cscn1 307969165 572885955 /nfs/dbraw/zinc/88/59/55/572885955.db2.gz FRIFOYXGFRMQKH-UHFFFAOYSA-N 0 0 182.292 2.151 10 30 AEEERN C=C(C)C[C@@H](O)C[C@H](O)CC(=C)C 308166763 572886199 /nfs/dbraw/zinc/88/61/99/572886199.db2.gz RTJUTUUXAQHNFY-GHMZBOCLSA-N 0 0 184.279 2.031 10 30 AEEERN Cc1[nH]nc(Nc2ccccc2)c1C#N 27105662 572886333 /nfs/dbraw/zinc/88/63/33/572886333.db2.gz AXGMNFSGTHJRLF-UHFFFAOYSA-N 0 0 198.229 2.333 10 30 AEEERN CCCC(=O)O[C@@](C)(C#N)CC 307969202 572886403 /nfs/dbraw/zinc/88/64/03/572886403.db2.gz FUQCMKCSLPGEMK-SECBINFHSA-N 0 0 169.224 2.022 10 30 AEEERN C/C=C/C=C\[C@H](O)C#C[Si](C)(C)C 308168087 572886410 /nfs/dbraw/zinc/88/64/10/572886410.db2.gz SNIQVPVTCSOYNV-XSNLPNCASA-N 0 0 194.350 2.360 10 30 AEEERN C[C@H](O)C#C/C=C\c1ccccc1 116668549 572886526 /nfs/dbraw/zinc/88/65/26/572886526.db2.gz NUFGHMWERWMUQT-YAEJEKNGSA-N 0 0 172.227 2.084 10 30 AEEERN C[C@@H]1Cc2ccc(C#N)c(F)c2N1 713771419 572886570 /nfs/dbraw/zinc/88/65/70/572886570.db2.gz DQLHKLDNBZBMIR-ZCFIWIBFSA-N 0 0 176.194 2.054 10 30 AEEERN CC(CSCCCCC#N)=NO 307969048 572886571 /nfs/dbraw/zinc/88/65/71/572886571.db2.gz VSYBKAWDWUOUAZ-UHFFFAOYSA-N 0 0 186.280 2.264 10 30 AEEERN CN[C@](C#N)(CCC(C)C)C1CC1 308167835 572886606 /nfs/dbraw/zinc/88/66/06/572886606.db2.gz BLFTWYUJLYQPIT-NSHDSACASA-N 0 0 180.295 2.314 10 30 AEEERN CS/C(=N/C#N)N1CCCC[C@@H]1C 73738483 572886814 /nfs/dbraw/zinc/88/68/14/572886814.db2.gz DDEMWHBOOFHJMN-QMIUEANQSA-N 0 0 197.307 2.061 10 30 AEEERN C[Si](C)(C)CC#CCCCO 196569662 572886929 /nfs/dbraw/zinc/88/69/29/572886929.db2.gz YXDDNJLNHZJWNG-UHFFFAOYSA-N 0 0 170.328 2.101 10 30 AEEERN C=CCCN(C)C(=O)/C=C/C(C)C 308167908 572887047 /nfs/dbraw/zinc/88/70/47/572887047.db2.gz YFKHELYMOGRACY-BQYQJAHWSA-N 0 0 181.279 2.233 10 30 AEEERN CCC(CC)(CC)C(=O)OCC#N 308167531 572887205 /nfs/dbraw/zinc/88/72/05/572887205.db2.gz AHPJXJFOMFTGFK-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C=CCO[C@@H](C)Cn1cccc1 307969763 572887226 /nfs/dbraw/zinc/88/72/26/572887226.db2.gz WEUUODBNPISEJA-JTQLQIEISA-N 0 0 165.236 2.079 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(CC)CC1 307970056 572887267 /nfs/dbraw/zinc/88/72/67/572887267.db2.gz GJCLPHKKRPFCHH-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@@H]1CN(C)c2ccccc21 307036826 572887287 /nfs/dbraw/zinc/88/72/87/572887287.db2.gz ZFJSPZHHIBQFPQ-SECBINFHSA-N 0 0 159.232 2.406 10 30 AEEERN C/C=C(/C#CC#CC[C@@H](C)O)CC 308166714 572887392 /nfs/dbraw/zinc/88/73/92/572887392.db2.gz RPQQXZXGNJEHIQ-DWGGBAKOSA-N 0 0 176.259 2.120 10 30 AEEERN CC(=NNC(C)(C)C)c1nccs1 308166990 572887459 /nfs/dbraw/zinc/88/74/59/572887459.db2.gz XXDIDIPVBGIEEM-UHFFFAOYSA-N 0 0 197.307 2.255 10 30 AEEERN C=C1CCN(C(=O)NC(C)(C)C)CC1 307080219 572887590 /nfs/dbraw/zinc/88/75/90/572887590.db2.gz OEAJZKMRFIBKJZ-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=C(Cl)COC(=O)C1(F)CCC1 308168293 572887660 /nfs/dbraw/zinc/88/76/60/572887660.db2.gz VJSNJXXZIOVYRG-UHFFFAOYSA-N 0 0 192.617 2.174 10 30 AEEERN COCCCON=CC(C)(C)C 307970408 572887686 /nfs/dbraw/zinc/88/76/86/572887686.db2.gz GSFOSFIZEQMYPV-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN C=C[C@H](O)C/C=C\c1ccco1 307977972 572887728 /nfs/dbraw/zinc/88/77/28/572887728.db2.gz KDHCAPSQFNJNOG-RWIWAZIYSA-N 0 0 164.204 2.230 10 30 AEEERN C/C=C(/C#CC#CC[C@H](C)O)CC 308166717 572887773 /nfs/dbraw/zinc/88/77/73/572887773.db2.gz RPQQXZXGNJEHIQ-ZFSPTPKQSA-N 0 0 176.259 2.120 10 30 AEEERN CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CC#N 307969854 572887952 /nfs/dbraw/zinc/88/79/52/572887952.db2.gz GDOAQTWHNCDRGO-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN C#C[C@@H]1CC[C@@H](C(C)C)C[C@H]1O 307004025 572888020 /nfs/dbraw/zinc/88/80/20/572888020.db2.gz DMVOBKHVXDHOAN-GMTAPVOTSA-N 0 0 166.264 2.053 10 30 AEEERN C[C@H]1Cc2ccc(C#N)c(F)c2N1 713771417 572888071 /nfs/dbraw/zinc/88/80/71/572888071.db2.gz DQLHKLDNBZBMIR-LURJTMIESA-N 0 0 176.194 2.054 10 30 AEEERN C#CCC(C)(C)C(=O)OC1CCC1 308170137 572888085 /nfs/dbraw/zinc/88/80/85/572888085.db2.gz ZCSQMHBWIMDGNF-UHFFFAOYSA-N 0 0 180.247 2.132 10 30 AEEERN C=CCNN=C[C@H](C)C(C)(C)C 307969798 572888117 /nfs/dbraw/zinc/88/81/17/572888117.db2.gz WGWRTFNQNSZUPD-VIFPVBQESA-N 0 0 168.284 2.430 10 30 AEEERN CC(C)CON=Cc1ccoc1 307969772 572888148 /nfs/dbraw/zinc/88/81/48/572888148.db2.gz WFUUWBXDLPTYAI-UHFFFAOYSA-N 0 0 167.208 2.286 10 30 AEEERN CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CC#N 307969856 572888162 /nfs/dbraw/zinc/88/81/62/572888162.db2.gz GDOAQTWHNCDRGO-IVZWLZJFSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@@H](O)CCCOCC=C(C)C 308168972 572888262 /nfs/dbraw/zinc/88/82/62/572888262.db2.gz TZLKOQZQHXTVND-LLVKDONJSA-N 0 0 184.279 2.296 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(O)CCC=O 308169253 572888334 /nfs/dbraw/zinc/88/83/34/572888334.db2.gz BVFSTYRIAOZNJS-GHMZBOCLSA-N 0 0 184.279 2.297 10 30 AEEERN C=CCO[C@H](C)Cn1cccc1 307969764 572888479 /nfs/dbraw/zinc/88/84/79/572888479.db2.gz WEUUODBNPISEJA-SNVBAGLBSA-N 0 0 165.236 2.079 10 30 AEEERN C#CCON=C(C)CSCC(C)C 308170202 572888505 /nfs/dbraw/zinc/88/85/05/572888505.db2.gz ZGZVXQRJKGAPND-UHFFFAOYSA-N 0 0 199.319 2.401 10 30 AEEERN CC(C)CNN=C1C[C@H]2C=CC[C@H]12 308168523 572888509 /nfs/dbraw/zinc/88/85/09/572888509.db2.gz YMAVLDGCZCEJIS-ZJUUUORDSA-N 0 0 178.279 2.184 10 30 AEEERN CCCC(N)=[NH+]OCCC(C)C 307969566 572888613 /nfs/dbraw/zinc/88/86/13/572888613.db2.gz GBDKGBMXQYJAJI-UHFFFAOYSA-N 0 0 172.272 2.121 10 30 AEEERN C=C[C@@H](O)C/C=C\c1ccco1 307977971 572888675 /nfs/dbraw/zinc/88/86/75/572888675.db2.gz KDHCAPSQFNJNOG-JVBZPZKUSA-N 0 0 164.204 2.230 10 30 AEEERN C#CC[NH+]1CCC(SC(C)C)CC1 307087244 572888652 /nfs/dbraw/zinc/88/86/52/572888652.db2.gz ZZNRHTVXKCEQDV-UHFFFAOYSA-N 0 0 197.347 2.226 10 30 AEEERN C#CCCCSCc1ccon1 307970508 572888686 /nfs/dbraw/zinc/88/86/86/572888686.db2.gz WZPKEYLSGARDCL-UHFFFAOYSA-N 0 0 181.260 2.321 10 30 AEEERN C/C=C\C(=O)CCC[C@@H]1CCCO1 308169161 572888713 /nfs/dbraw/zinc/88/87/13/572888713.db2.gz UFEHVOURLXZPNJ-SRMRHOMVSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCNN=C[C@@H](C)C(C)(C)C 307969797 572888735 /nfs/dbraw/zinc/88/87/35/572888735.db2.gz WGWRTFNQNSZUPD-SECBINFHSA-N 0 0 168.284 2.430 10 30 AEEERN CC[C@@H]1CCCC[C@]1(O)CCC=O 308169254 572888792 /nfs/dbraw/zinc/88/87/92/572888792.db2.gz BVFSTYRIAOZNJS-MNOVXSKESA-N 0 0 184.279 2.297 10 30 AEEERN CC#C[C@](C)(O)c1ccc(F)cc1 307025425 572888922 /nfs/dbraw/zinc/88/89/22/572888922.db2.gz XBHNRPHKTRRRET-NSHDSACASA-N 0 0 178.206 2.057 10 30 AEEERN CC(C)CNN=C1C[C@@H]2C=CC[C@@H]12 308168522 572889224 /nfs/dbraw/zinc/88/92/24/572889224.db2.gz YMAVLDGCZCEJIS-VHSXEESVSA-N 0 0 178.279 2.184 10 30 AEEERN CC/C=C\C(=O)c1cncc(F)c1 308170052 572889315 /nfs/dbraw/zinc/88/93/15/572889315.db2.gz URUQATZNXZKGNR-ARJAWSKDSA-N 0 0 179.194 2.370 10 30 AEEERN CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CC#N 307969853 572889347 /nfs/dbraw/zinc/88/93/47/572889347.db2.gz GDOAQTWHNCDRGO-AEJSXWLSSA-N 0 0 166.268 2.067 10 30 AEEERN CCCNN=C(C)c1ccco1 307969496 572889379 /nfs/dbraw/zinc/88/93/79/572889379.db2.gz FYBBGLUBYBATFQ-UHFFFAOYSA-N 0 0 166.224 2.003 10 30 AEEERN C#CCSCc1cc(C)ccn1 307009344 572889386 /nfs/dbraw/zinc/88/93/86/572889386.db2.gz HXXWSPQPCIYRHV-UHFFFAOYSA-N 0 0 177.272 2.256 10 30 AEEERN C=CCC[C@]1(O)CSC[C@H]1C 307052970 572889421 /nfs/dbraw/zinc/88/94/21/572889421.db2.gz PESLTZQBMWEEDL-BDAKNGLRSA-N 0 0 172.293 2.067 10 30 AEEERN C=C(C[C@@H](O)C(C)(C)C)[C@H](C)OC 308170105 572890004 /nfs/dbraw/zinc/89/00/04/572890004.db2.gz VCLBEXVMHNMBBT-VHSXEESVSA-N 0 0 186.295 2.375 10 30 AEEERN C[C@H](O)C/N=C\c1cccc(Cl)c1 308170103 572889690 /nfs/dbraw/zinc/88/96/90/572889690.db2.gz VCEARFKYHBKWLK-VQLBTBKJSA-N 0 0 197.665 2.140 10 30 AEEERN CCCCC[C@@H]1OCC[C@@H]1C#N 86245049 572898111 /nfs/dbraw/zinc/89/81/11/572898111.db2.gz GXTMQYFKQLLBFO-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN C=C(C)CNN=CC1(C)CCC1 307970176 572889999 /nfs/dbraw/zinc/88/99/99/572889999.db2.gz WOUSOMWRMQTXDJ-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCN[C@@H](C#N)[C@H](C)C(C)(C)C 308171230 572891293 /nfs/dbraw/zinc/89/12/93/572891293.db2.gz CKWQNYSIWOVKKN-UWVGGRQHSA-N 0 0 180.295 2.336 10 30 AEEERN C[C@H](CC#N)OC(=O)C1CCCC1 308168511 572890662 /nfs/dbraw/zinc/89/06/62/572890662.db2.gz YLOACCDJVBFKOJ-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN C=C1C[C@H]2CC[C@H](O)C[C@H]2C1 307043803 572890691 /nfs/dbraw/zinc/89/06/91/572890691.db2.gz STGIYBLIHNTDRV-BBBLOLIVSA-N 0 0 152.237 2.114 10 30 AEEERN C=CCC[C@@]1(O)CSC[C@@H]1C 307052971 572890853 /nfs/dbraw/zinc/89/08/53/572890853.db2.gz PESLTZQBMWEEDL-DTWKUNHWSA-N 0 0 172.293 2.067 10 30 AEEERN CCCNN=C[C@@H]1CC[C@@H](C)C1 307978658 572890892 /nfs/dbraw/zinc/89/08/92/572890892.db2.gz NHIQTDBRBUOAOY-NXEZZACHSA-N 0 0 168.284 2.408 10 30 AEEERN C#C[C@H](O)/C=C/C=C\CCCC 307978013 572891032 /nfs/dbraw/zinc/89/10/32/572891032.db2.gz KKZJBGUFPSUGHZ-HHVZQXGBSA-N 0 0 164.248 2.283 10 30 AEEERN COc1cccc(CC(C)=NO)c1 307978224 572891076 /nfs/dbraw/zinc/89/10/76/572891076.db2.gz DIUSZUAXFPQDCT-UHFFFAOYSA-N 0 0 179.219 2.088 10 30 AEEERN CCCN=NC[C@H]1CC[C@@H](C)C1 307978661 572891156 /nfs/dbraw/zinc/89/11/56/572891156.db2.gz NHIQTDBRBUOAOY-ZJUUUORDSA-N 0 0 168.284 2.408 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCCCF 308171499 572891162 /nfs/dbraw/zinc/89/11/62/572891162.db2.gz ZSKLABGMFTVWLG-SECBINFHSA-N 0 0 188.242 2.492 10 30 AEEERN CCc1ccc(C=NN(C)CC)o1 308171006 572891184 /nfs/dbraw/zinc/89/11/84/572891184.db2.gz BKXPMWSYMKJPGV-UHFFFAOYSA-N 0 0 180.251 2.128 10 30 AEEERN CC(C)c1ncn(CCCCS)n1 308163112 572891224 /nfs/dbraw/zinc/89/12/24/572891224.db2.gz XWMNBQOFRCELAG-UHFFFAOYSA-N 0 0 199.323 2.112 10 30 AEEERN C#C[C@](O)(CCC)C1CCCC1 307093323 572891275 /nfs/dbraw/zinc/89/12/75/572891275.db2.gz DDIHGVMMYVKITA-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=CCOc1ccccc1/C=C/CO 86209783 572891341 /nfs/dbraw/zinc/89/13/41/572891341.db2.gz PDEIGOYKXLWAGO-FNORWQNLSA-N 0 0 190.242 2.257 10 30 AEEERN CCC[C@H](C)CC(=O)O[C@@H](C)C#N 308172337 572891372 /nfs/dbraw/zinc/89/13/72/572891372.db2.gz BSUPAZNQYGTJAN-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@@H](C)OC(=O)CCSCC 308162639 572891397 /nfs/dbraw/zinc/89/13/97/572891397.db2.gz SFYRTMAFMOEWMS-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN CO/C=C\CCCCCC#CCO 308171779 572891399 /nfs/dbraw/zinc/89/13/99/572891399.db2.gz WEAZMOCINUBPOS-LUAWRHEFSA-N 0 0 182.263 2.093 10 30 AEEERN COC[C@@H](C#N)SC1CCCC1 307978074 572891484 /nfs/dbraw/zinc/89/14/84/572891484.db2.gz MQWGZKYBVBEMJC-SECBINFHSA-N 0 0 185.292 2.201 10 30 AEEERN C#C[C@@H](O)/C=C/C=C\CCCC 307978014 572891620 /nfs/dbraw/zinc/89/16/20/572891620.db2.gz KKZJBGUFPSUGHZ-OYJBBPGFSA-N 0 0 164.248 2.283 10 30 AEEERN C=CCCOC(=O)/C=C/C1CC1 307973118 572891713 /nfs/dbraw/zinc/89/17/13/572891713.db2.gz ZVBYSAOXOXWVEJ-VOTSOKGWSA-N 0 0 166.220 2.072 10 30 AEEERN C=CCC[C@@H](O)CC/C=C\OC 307978046 572892792 /nfs/dbraw/zinc/89/27/92/572892792.db2.gz KQLLUZMHTUTGOU-ABRRARGCSA-N 0 0 170.252 2.254 10 30 AEEERN CCC[C@H](C)CC(=O)O[C@H](C)C#N 308172336 572891834 /nfs/dbraw/zinc/89/18/34/572891834.db2.gz BSUPAZNQYGTJAN-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN CCC[C@@H](C)CC(=O)O[C@@H](C)C#N 308172335 572891931 /nfs/dbraw/zinc/89/19/31/572891931.db2.gz BSUPAZNQYGTJAN-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN CCCC[C@@H](O)/C=C1\CCCC1=O 308163947 572895422 /nfs/dbraw/zinc/89/54/22/572895422.db2.gz OZHKQNGOBOCUMF-AAXQSMANSA-N 0 0 182.263 2.217 10 30 AEEERN C/C=C\C(=O)CCC1CCOCC1 308171577 572892403 /nfs/dbraw/zinc/89/24/03/572892403.db2.gz BOJWKFHLJGEWNE-IHWYPQMZSA-N 0 0 182.263 2.338 10 30 AEEERN C=C[C@H](C)OC(=O)CCSCC 308162640 572892450 /nfs/dbraw/zinc/89/24/50/572892450.db2.gz SFYRTMAFMOEWMS-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=CCN[C@@H](C#N)[C@@H](C)C(C)(C)C 308171239 572892507 /nfs/dbraw/zinc/89/25/07/572892507.db2.gz CKWQNYSIWOVKKN-ZJUUUORDSA-N 0 0 180.295 2.336 10 30 AEEERN CCCNN=C[C@@H]1CC[C@H](C)C1 307978660 572892511 /nfs/dbraw/zinc/89/25/11/572892511.db2.gz NHIQTDBRBUOAOY-VHSXEESVSA-N 0 0 168.284 2.408 10 30 AEEERN C=CCC[C@H](O)CC/C=C\OC 307978047 572892768 /nfs/dbraw/zinc/89/27/68/572892768.db2.gz KQLLUZMHTUTGOU-MBACFSSFSA-N 0 0 170.252 2.254 10 30 AEEERN C=CCCOC(=O)/C=C\C1CC1 307973114 572892908 /nfs/dbraw/zinc/89/29/08/572892908.db2.gz ZVBYSAOXOXWVEJ-SREVYHEPSA-N 0 0 166.220 2.072 10 30 AEEERN C[C@H](C#N)N1CCc2ccc(F)cc21 235390185 572892919 /nfs/dbraw/zinc/89/29/19/572892919.db2.gz NZSVAQCARDFEDI-MRVPVSSYSA-N 0 0 190.221 2.100 10 30 AEEERN C=CCN(C)C[C@H](F)C(F)(F)F 308171175 572892925 /nfs/dbraw/zinc/89/29/25/572892925.db2.gz WSRKBBCXWOBZKH-LURJTMIESA-N 0 0 185.164 2.005 10 30 AEEERN C=CCCC[C@H](O)c1coc(C)n1 308172190 572892966 /nfs/dbraw/zinc/89/29/66/572892966.db2.gz CUCVFAINMBBXGH-JTQLQIEISA-N 0 0 181.235 2.373 10 30 AEEERN C=CCOc1ccc(/C=C/CO)cc1 86209759 572893005 /nfs/dbraw/zinc/89/30/05/572893005.db2.gz QXXPCJUNAWDLPY-ONEGZZNKSA-N 0 0 190.242 2.257 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)[C@H](C)C=C 308164863 572895310 /nfs/dbraw/zinc/89/53/10/572895310.db2.gz XBYAGNBXMQUZBW-ZJUUUORDSA-N 0 0 181.279 2.089 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCCCF 308171500 572893242 /nfs/dbraw/zinc/89/32/42/572893242.db2.gz ZSKLABGMFTVWLG-VIFPVBQESA-N 0 0 188.242 2.492 10 30 AEEERN C=C(COC)[C@]1(O)CCC[C@H](C)[C@@H]1C 307082481 572893391 /nfs/dbraw/zinc/89/33/91/572893391.db2.gz QCOPKWVSBGFSFG-ZMLRMANQSA-N 0 0 198.306 2.376 10 30 AEEERN CCCCOc1cccc(N)c1C#N 118843043 572893491 /nfs/dbraw/zinc/89/34/91/572893491.db2.gz IBOVFMJFQJSKIX-UHFFFAOYSA-N 0 0 190.246 2.319 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C=C\CC 307973400 572893528 /nfs/dbraw/zinc/89/35/28/572893528.db2.gz IRQXLUSZPSWCBK-NMTCXDENSA-N 0 0 168.236 2.460 10 30 AEEERN CC(=O)[C@H]1C2CCC(CC2)[C@H]1CC=O 75596893 572893598 /nfs/dbraw/zinc/89/35/98/572893598.db2.gz ZPNGNVOQMAPHBO-HCWSGVFWSA-N 0 0 194.274 2.217 10 30 AEEERN CC/C=C/C(=O)O[C@@H](CC)CC#N 308170976 572893656 /nfs/dbraw/zinc/89/36/56/572893656.db2.gz BJXNBPNJXWPIMZ-CYNONHLPSA-N 0 0 181.235 2.188 10 30 AEEERN C#C[C@H](C)[C@H](O)/C(=C\C)[Si](C)(C)C 308170908 572893697 /nfs/dbraw/zinc/89/36/97/572893697.db2.gz VWVCRIHUPCNAGP-FBIFYRRTSA-N 0 0 196.366 2.440 10 30 AEEERN CC(=O)[C@@H]1C2CCC(CC2)[C@@H]1CC=O 75596884 572893701 /nfs/dbraw/zinc/89/37/01/572893701.db2.gz ZPNGNVOQMAPHBO-MMVSWEMESA-N 0 0 194.274 2.217 10 30 AEEERN C=CCSc1ncccc1[C@@H](C)O 308172144 572893783 /nfs/dbraw/zinc/89/37/83/572893783.db2.gz CSTHOESRPBWRER-MRVPVSSYSA-N 0 0 195.287 2.413 10 30 AEEERN C=C[C@@H](C)N[C@H]1CCCC1(F)F 307077515 572893866 /nfs/dbraw/zinc/89/38/66/572893866.db2.gz DODRWQFIOYQJOD-SFYZADRCSA-N 0 0 175.222 2.338 10 30 AEEERN C=CCCC[C@@H](O)c1coc(C)n1 308172192 572893897 /nfs/dbraw/zinc/89/38/97/572893897.db2.gz CUCVFAINMBBXGH-SNVBAGLBSA-N 0 0 181.235 2.373 10 30 AEEERN C=CCSc1ccc(C#N)nc1 307098175 572893979 /nfs/dbraw/zinc/89/39/79/572893979.db2.gz DSMSDBYKRIWKES-UHFFFAOYSA-N 0 0 176.244 2.231 10 30 AEEERN C=C1C[C@H]2CC(C)(C)[C@H](O)[C@H]2C1 307049312 572894262 /nfs/dbraw/zinc/89/42/62/572894262.db2.gz GRAHRQDWILUMLQ-LPEHRKFASA-N 0 0 166.264 2.360 10 30 AEEERN C=CC[C@@H](O)c1cccc(OC)c1O 75596167 572894316 /nfs/dbraw/zinc/89/43/16/572894316.db2.gz BEIIDGKKBOQAGH-SECBINFHSA-N 0 0 194.230 2.010 10 30 AEEERN C=CC[C@@H](O)c1ccc(O)c(OC)c1 75596135 572894521 /nfs/dbraw/zinc/89/45/21/572894521.db2.gz VEWLGIMSLMINET-SECBINFHSA-N 0 0 194.230 2.010 10 30 AEEERN CC(=O)[C@@H]1C2CCC(CC2)[C@H]1CC=O 75596892 572894526 /nfs/dbraw/zinc/89/45/26/572894526.db2.gz ZPNGNVOQMAPHBO-KIDURHIOSA-N 0 0 194.274 2.217 10 30 AEEERN C=CC[C@H](O)c1cccc(OC)c1O 75596178 572894551 /nfs/dbraw/zinc/89/45/51/572894551.db2.gz BEIIDGKKBOQAGH-VIFPVBQESA-N 0 0 194.230 2.010 10 30 AEEERN C=CC[C@@H](O)c1ccc(OC)c(O)c1 75596160 572894588 /nfs/dbraw/zinc/89/45/88/572894588.db2.gz GOSFKPJRVLZBDY-SECBINFHSA-N 0 0 194.230 2.010 10 30 AEEERN C=CCN(C)C(=O)[C@H](C)[C@H](C)C=C 308164856 572894615 /nfs/dbraw/zinc/89/46/15/572894615.db2.gz XBYAGNBXMQUZBW-NXEZZACHSA-N 0 0 181.279 2.089 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C=C/CC 307973401 572894625 /nfs/dbraw/zinc/89/46/25/572894625.db2.gz IRQXLUSZPSWCBK-UCUJLANTSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](OC)c1ccc(O)c(OC)c1 75596075 572894762 /nfs/dbraw/zinc/89/47/62/572894762.db2.gz NCOQWBQQPOGFNK-JTQLQIEISA-N 0 0 194.230 2.274 10 30 AEEERN CC(=O)[C@H]1C2CCC(CC2)[C@@H]1CC=O 75596890 572894879 /nfs/dbraw/zinc/89/48/79/572894879.db2.gz ZPNGNVOQMAPHBO-QQFIATSDSA-N 0 0 194.274 2.217 10 30 AEEERN C=CCN(C)c1c(N)ccc(F)c1F 307043394 572894903 /nfs/dbraw/zinc/89/49/03/572894903.db2.gz MRFVTQSZXMQPTF-UHFFFAOYSA-N 0 0 198.216 2.169 10 30 AEEERN CCCN(CC#N)CC1(C)CC1 307974668 572895438 /nfs/dbraw/zinc/89/54/38/572895438.db2.gz JVWMHHBBHFIZBN-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN C=C(C)CC(=O)N(C)[C@@H](C)C1CC1 308163377 572895013 /nfs/dbraw/zinc/89/50/13/572895013.db2.gz WIUFTYOQOWJYNY-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN CC#C[C@]1(O)CC[C@@H](C)C[C@@H]1C 307076961 572895034 /nfs/dbraw/zinc/89/50/34/572895034.db2.gz OWQPMZJKQBURQV-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN C#CCCOC(=O)C[C@@H](C)CCC 308174219 572895048 /nfs/dbraw/zinc/89/50/48/572895048.db2.gz CQQWXNIMDMZMQX-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN C#C[C@H](C)Nc1ccc(C)cc1OC 307099280 572895239 /nfs/dbraw/zinc/89/52/39/572895239.db2.gz FVYXWUXDSAFCIG-JTQLQIEISA-N 0 0 189.258 2.437 10 30 AEEERN C=CC[C@H](O)c1ccc(O)c(OC)c1 75596136 572895405 /nfs/dbraw/zinc/89/54/05/572895405.db2.gz VEWLGIMSLMINET-VIFPVBQESA-N 0 0 194.230 2.010 10 30 AEEERN C=CC(=O)c1ccc2c(c1)C[C@@H](C)O2 235396132 572895615 /nfs/dbraw/zinc/89/56/15/572895615.db2.gz SGNUJCYZBBEWTB-MRVPVSSYSA-N 0 0 188.226 2.379 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C=C/CC 307973402 572895621 /nfs/dbraw/zinc/89/56/21/572895621.db2.gz IRQXLUSZPSWCBK-XCODYQFDSA-N 0 0 168.236 2.460 10 30 AEEERN CC(=O)N(CCC#N)C1CCCCC1 75597054 572895928 /nfs/dbraw/zinc/89/59/28/572895928.db2.gz UNAFGZNQPIYVSB-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN ON=C1CCCc2cnc(Cl)cc21 308163266 572896016 /nfs/dbraw/zinc/89/60/16/572896016.db2.gz OCJDHCOQHGWTAY-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN C=C(C)[C@H](O)C1(COC)CCCC1 312954014 572896065 /nfs/dbraw/zinc/89/60/65/572896065.db2.gz OCELLAIHVPAPJN-JTQLQIEISA-N 0 0 184.279 2.130 10 30 AEEERN C=CC[C@H](O)c1ccc(OC)c(O)c1 75596162 572896122 /nfs/dbraw/zinc/89/61/22/572896122.db2.gz GOSFKPJRVLZBDY-VIFPVBQESA-N 0 0 194.230 2.010 10 30 AEEERN N#Cc1cc2ccc(O)cc2cc1C#N 75595704 572896124 /nfs/dbraw/zinc/89/61/24/572896124.db2.gz ZQERRZUQGYVQBR-UHFFFAOYSA-N 0 0 194.193 2.289 10 30 AEEERN C=C(C(=O)C[C@@H](C)OC)C(F)(F)F 308164136 572896156 /nfs/dbraw/zinc/89/61/56/572896156.db2.gz YKZJIDXCFNNVOQ-RXMQYKEDSA-N 0 0 196.168 2.099 10 30 AEEERN C=C[C@@H](OC)c1ccc(O)c(OC)c1 75596072 572896205 /nfs/dbraw/zinc/89/62/05/572896205.db2.gz NCOQWBQQPOGFNK-SNVBAGLBSA-N 0 0 194.230 2.274 10 30 AEEERN C=C(C)CC(=O)N(C)[C@H](C)C1CC1 308163376 572896506 /nfs/dbraw/zinc/89/65/06/572896506.db2.gz WIUFTYOQOWJYNY-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN CCCC[C@H](O)/C=C1\CCCC1=O 308163948 572896547 /nfs/dbraw/zinc/89/65/47/572896547.db2.gz OZHKQNGOBOCUMF-DDXVTDLHSA-N 0 0 182.263 2.217 10 30 AEEERN C=C(C(=O)C[C@H](C)OC)C(F)(F)F 308164138 572896550 /nfs/dbraw/zinc/89/65/50/572896550.db2.gz YKZJIDXCFNNVOQ-YFKPBYRVSA-N 0 0 196.168 2.099 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)[C@@H](C)C=C 308164859 572896647 /nfs/dbraw/zinc/89/66/47/572896647.db2.gz XBYAGNBXMQUZBW-UWVGGRQHSA-N 0 0 181.279 2.089 10 30 AEEERN N#CC1(c2cnc3ccncc3c2)CC1 214797176 572896771 /nfs/dbraw/zinc/89/67/71/572896771.db2.gz KJMWLRRZPWHSIQ-UHFFFAOYSA-N 0 0 195.225 2.185 10 30 AEEERN C[C@H](CCC=O)C[C@H](O)C(C)(C)C 308176628 572897447 /nfs/dbraw/zinc/89/74/47/572897447.db2.gz ATVJUTCXQTXINR-ZJUUUORDSA-N 0 0 186.295 2.399 10 30 AEEERN C=CCCCCNC(=O)/C=C/CC 308174733 572897485 /nfs/dbraw/zinc/89/74/85/572897485.db2.gz CXADKXIXEFQNBP-RMKNXTFCSA-N 0 0 181.279 2.425 10 30 AEEERN C#CCCCOC(=O)/C(=C\C)CC 308176111 572897616 /nfs/dbraw/zinc/89/76/16/572897616.db2.gz FMFRSXWAUGZYJW-YHYXMXQVSA-N 0 0 180.247 2.299 10 30 AEEERN N#CC1(c2cncc3ccncc23)CC1 214797246 572897989 /nfs/dbraw/zinc/89/79/89/572897989.db2.gz VLKGQELGKKOTOK-UHFFFAOYSA-N 0 0 195.225 2.185 10 30 AEEERN C=CCCOC(=O)CCC(F)F 308174316 572897838 /nfs/dbraw/zinc/89/78/38/572897838.db2.gz YKGXUEZJNCWUAF-UHFFFAOYSA-N 0 0 178.178 2.151 10 30 AEEERN C=CCNc1nnc(CCC)s1 75825194 572898057 /nfs/dbraw/zinc/89/80/57/572898057.db2.gz RPXOSEGTCJLBON-UHFFFAOYSA-N 0 0 183.280 2.089 10 30 AEEERN CC[C@H](O)CCCC[C@@H]1O[C@H]1CC 308174947 572898271 /nfs/dbraw/zinc/89/82/71/572898271.db2.gz ZFBQJRFQYLZFOX-DCAQKATOSA-N 0 0 186.295 2.495 10 30 AEEERN C[C@@H](CCC=O)C[C@@H](O)C(C)(C)C 308176626 572898455 /nfs/dbraw/zinc/89/84/55/572898455.db2.gz ATVJUTCXQTXINR-VHSXEESVSA-N 0 0 186.295 2.399 10 30 AEEERN CC[C@H](O)CCCC[C@H]1O[C@H]1CC 308174949 572898515 /nfs/dbraw/zinc/89/85/15/572898515.db2.gz ZFBQJRFQYLZFOX-GARJFASQSA-N 0 0 186.295 2.495 10 30 AEEERN Cc1cccc(-n2cc(C#N)cn2)c1 71499292 572898600 /nfs/dbraw/zinc/89/86/00/572898600.db2.gz OXMBZERAUUIGKK-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN CCN(C)N=Cc1ccccc1C 308174232 572898658 /nfs/dbraw/zinc/89/86/58/572898658.db2.gz CRBCUAHVLGVEIP-UHFFFAOYSA-N 0 0 176.263 2.281 10 30 AEEERN CCCCC[C@@H]1OCC[C@H]1C#N 86245047 572898708 /nfs/dbraw/zinc/89/87/08/572898708.db2.gz GXTMQYFKQLLBFO-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN N#CC1(c2cnc3cnccc3c2)CC1 214797107 572898732 /nfs/dbraw/zinc/89/87/32/572898732.db2.gz PWGHMNPJCSBXMY-UHFFFAOYSA-N 0 0 195.225 2.185 10 30 AEEERN C=CCCCCNC(=O)/C=C\CC 308174734 572898779 /nfs/dbraw/zinc/89/87/79/572898779.db2.gz CXADKXIXEFQNBP-TWGQIWQCSA-N 0 0 181.279 2.425 10 30 AEEERN C=C(C)CNN=CC1(SC)CC1 308176945 572899124 /nfs/dbraw/zinc/89/91/24/572899124.db2.gz ZPEVZKAOFLJPFE-UHFFFAOYSA-N 0 0 184.308 2.034 10 30 AEEERN C[C@@H]([C@@H](C#N)NC1CC1)C(C)(C)C 308176748 572899402 /nfs/dbraw/zinc/89/94/02/572899402.db2.gz FRSMUJQHIOVYRH-WCBMZHEXSA-N 0 0 180.295 2.313 10 30 AEEERN C=C/C=C\CC[C@H](O)C(=C)OCC 308172841 572899461 /nfs/dbraw/zinc/89/94/61/572899461.db2.gz XMFWECNGKNJDTM-ZADCQDASSA-N 0 0 182.263 2.420 10 30 AEEERN CCCCC[C@H]1OCC[C@@H]1C#N 86245048 572899506 /nfs/dbraw/zinc/89/95/06/572899506.db2.gz GXTMQYFKQLLBFO-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H](O)c1nc2ccccc2cc1C#N 75852899 572899557 /nfs/dbraw/zinc/89/95/57/572899557.db2.gz YNDAMIJIXNWZAC-QMMMGPOBSA-N 0 0 198.225 2.160 10 30 AEEERN CCCCC[C@H]1OCC[C@H]1C#N 86245046 572899607 /nfs/dbraw/zinc/89/96/07/572899607.db2.gz GXTMQYFKQLLBFO-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CCC[C@@H](C)C=NOCCOCC 308173295 572900100 /nfs/dbraw/zinc/90/01/00/572900100.db2.gz CFAMMVDZLZWPRH-SNVBAGLBSA-N 0 0 187.283 2.462 10 30 AEEERN CCN(C)N=Cc1ccc(Cl)nc1 308172867 572900331 /nfs/dbraw/zinc/90/03/31/572900331.db2.gz BYSMKILIBQKCAK-UHFFFAOYSA-N 0 0 197.669 2.021 10 30 AEEERN C=C/C=C\CC[C@@H](O)C(=C)OCC 308172840 572900336 /nfs/dbraw/zinc/90/03/36/572900336.db2.gz XMFWECNGKNJDTM-JMEBYUIHSA-N 0 0 182.263 2.420 10 30 AEEERN C[C@@H]([C@H](C#N)NC1CC1)C(C)(C)C 308176749 572900425 /nfs/dbraw/zinc/90/04/25/572900425.db2.gz FRSMUJQHIOVYRH-WPRPVWTQSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@@H](O)c1nc2ccccc2cc1C#N 75852900 572900517 /nfs/dbraw/zinc/90/05/17/572900517.db2.gz YNDAMIJIXNWZAC-MRVPVSSYSA-N 0 0 198.225 2.160 10 30 AEEERN CCC[C@](O)(C1CC1)C1(C#N)CC1 308177363 572900834 /nfs/dbraw/zinc/90/08/34/572900834.db2.gz FVPYYWSGQJKNAL-NSHDSACASA-N 0 0 179.263 2.231 10 30 AEEERN CCC[C@H](C)C=NOCCOCC 308173294 572901083 /nfs/dbraw/zinc/90/10/83/572901083.db2.gz CFAMMVDZLZWPRH-JTQLQIEISA-N 0 0 187.283 2.462 10 30 AEEERN C[C@H]([C@@H](C#N)NC1CC1)C(C)(C)C 308176745 572901088 /nfs/dbraw/zinc/90/10/88/572901088.db2.gz FRSMUJQHIOVYRH-PSASIEDQSA-N 0 0 180.295 2.313 10 30 AEEERN CCC[C@@](O)(C1CC1)C1(C#N)CC1 308177361 572901225 /nfs/dbraw/zinc/90/12/25/572901225.db2.gz FVPYYWSGQJKNAL-LLVKDONJSA-N 0 0 179.263 2.231 10 30 AEEERN C/C=C(\CC)C(=O)OCCCC#N 308173556 572901502 /nfs/dbraw/zinc/90/15/02/572901502.db2.gz DNMJUCFGAOFLKS-YCRREMRBSA-N 0 0 181.235 2.190 10 30 AEEERN C/C=C(/CC)C(=O)OCCCC#N 308173555 572901547 /nfs/dbraw/zinc/90/15/47/572901547.db2.gz DNMJUCFGAOFLKS-OQFOIZHKSA-N 0 0 181.235 2.190 10 30 AEEERN C=CCC(=O)OCC1CCCC1 307955116 572901559 /nfs/dbraw/zinc/90/15/59/572901559.db2.gz DTINEUCKMMNOQE-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CSCCC[C@@]1(C#N)CCC[NH2+]C1 308177838 572901591 /nfs/dbraw/zinc/90/15/91/572901591.db2.gz GCHIRRNIEDCLPY-SNVBAGLBSA-N 0 0 198.335 2.023 10 30 AEEERN Cn1ncc(C#N)c1C1CCCCC1 75841484 572901817 /nfs/dbraw/zinc/90/18/17/572901817.db2.gz ZCRWRFJVDPORAI-UHFFFAOYSA-N 0 0 189.262 2.339 10 30 AEEERN C/C(=N/O)c1cccc(F)c1 57324215 572901988 /nfs/dbraw/zinc/90/19/88/572901988.db2.gz FVJZWDSOLXGOIY-POHAHGRESA-N 0 0 153.156 2.024 10 30 AEEERN CSCCC[C@]1(C#N)CCC[NH2+]C1 308177834 572902093 /nfs/dbraw/zinc/90/20/93/572902093.db2.gz GCHIRRNIEDCLPY-JTQLQIEISA-N 0 0 198.335 2.023 10 30 AEEERN CC[C@H](C=O)Oc1ccc(OC)cc1 35874470 572902168 /nfs/dbraw/zinc/90/21/68/572902168.db2.gz XDRDWXCHXXBHRR-SECBINFHSA-N 0 0 194.230 2.052 10 30 AEEERN CC/C=C/C(=O)c1cn(CC)cn1 308177738 572902232 /nfs/dbraw/zinc/90/22/32/572902232.db2.gz GBIPCHBTJACCNY-AATRIKPKSA-N 0 0 178.235 2.052 10 30 AEEERN O=CCC[C@@H](O)c1ccc(Cl)cc1 308177996 572902265 /nfs/dbraw/zinc/90/22/65/572902265.db2.gz GDTZCLPVZYKBOU-SNVBAGLBSA-N 0 0 198.649 2.353 10 30 AEEERN O/N=C/c1ccc2ncccc2c1 57324285 572902451 /nfs/dbraw/zinc/90/24/51/572902451.db2.gz OPQQWAGBFJQALJ-KPKJPENVSA-N 0 0 172.187 2.043 10 30 AEEERN C/C(=C/CCO)CC[C@H]1OC1(C)C 308173439 572902484 /nfs/dbraw/zinc/90/24/84/572902484.db2.gz YBWYIJDZXNLWJS-HYHWUIIZSA-N 0 0 184.279 2.273 10 30 AEEERN CC[C@@H](C=O)Oc1ccc(OC)cc1 35874469 572902689 /nfs/dbraw/zinc/90/26/89/572902689.db2.gz XDRDWXCHXXBHRR-VIFPVBQESA-N 0 0 194.230 2.052 10 30 AEEERN C=CC[C@](C)(C(C)=O)[C@H](O)/C=C\C 308173468 572902769 /nfs/dbraw/zinc/90/27/69/572902769.db2.gz YHZSPUKKBGXLHQ-BHQLTRLXSA-N 0 0 182.263 2.095 10 30 AEEERN C/C(=C/CCO)CC[C@@H]1OC1(C)C 308173438 572903272 /nfs/dbraw/zinc/90/32/72/572903272.db2.gz YBWYIJDZXNLWJS-BSKOKIOFSA-N 0 0 184.279 2.273 10 30 AEEERN CC(C)[C@@H](O)c1ccc(F)c(C#N)c1 75853953 572903000 /nfs/dbraw/zinc/90/30/00/572903000.db2.gz OSIUOQHJPBHIKA-LLVKDONJSA-N 0 0 193.221 2.387 10 30 AEEERN C=CC[C@](C)(C(C)=O)[C@@H](O)/C=C\C 308173469 572903073 /nfs/dbraw/zinc/90/30/73/572903073.db2.gz YHZSPUKKBGXLHQ-OJTYSEKASA-N 0 0 182.263 2.095 10 30 AEEERN CC/C=C\C(=O)c1cn(CC)cn1 308177743 572903114 /nfs/dbraw/zinc/90/31/14/572903114.db2.gz GBIPCHBTJACCNY-WAYWQWQTSA-N 0 0 178.235 2.052 10 30 AEEERN O=CCC[C@H](O)c1ccc(Cl)cc1 308177991 572903285 /nfs/dbraw/zinc/90/32/85/572903285.db2.gz GDTZCLPVZYKBOU-JTQLQIEISA-N 0 0 198.649 2.353 10 30 AEEERN C=CCCCn1cnc(C(F)F)n1 308178604 572903529 /nfs/dbraw/zinc/90/35/29/572903529.db2.gz DYVPQCSJIWBFMQ-UHFFFAOYSA-N 0 0 187.193 2.182 10 30 AEEERN Cc1cccc([C@H](O)CCC=O)c1 308179743 572905089 /nfs/dbraw/zinc/90/50/89/572905089.db2.gz GRSAAQTYWZYASE-LLVKDONJSA-N 0 0 178.231 2.008 10 30 AEEERN C#C[C@@H](C)OC(=O)C(C)(C)CC=C 308178420 572904290 /nfs/dbraw/zinc/90/42/90/572904290.db2.gz UFYTYCGFHHLIPZ-SECBINFHSA-N 0 0 180.247 2.154 10 30 AEEERN CC#CCCCOC(=O)/C=C/SC 308178661 572904345 /nfs/dbraw/zinc/90/43/45/572904345.db2.gz FDPYWSBACOFACV-VQHVLOKHSA-N 0 0 198.287 2.210 10 30 AEEERN Cc1cccc([C@@H](O)CCC=O)c1 308179745 572904451 /nfs/dbraw/zinc/90/44/51/572904451.db2.gz GRSAAQTYWZYASE-NSHDSACASA-N 0 0 178.231 2.008 10 30 AEEERN Cc1ccc(C#N)cc1C(C)(C)O 75846175 572904977 /nfs/dbraw/zinc/90/49/77/572904977.db2.gz BVGAXUPVBDUPJV-UHFFFAOYSA-N 0 0 175.231 2.094 10 30 AEEERN C=CCOC(=O)c1ccc(Cl)cn1 308179951 572905031 /nfs/dbraw/zinc/90/50/31/572905031.db2.gz FRUIUXRYRVZOMC-UHFFFAOYSA-N 0 0 197.621 2.078 10 30 AEEERN CSCCON=Cc1occc1C 308178675 572905481 /nfs/dbraw/zinc/90/54/81/572905481.db2.gz FGJHXDYSFRYPTO-UHFFFAOYSA-N 0 0 199.275 2.302 10 30 AEEERN CC(=O)c1nc2ccccc2cc1C#N 75844391 572905525 /nfs/dbraw/zinc/90/55/25/572905525.db2.gz NCUCXSGFOJQZLY-UHFFFAOYSA-N 0 0 196.209 2.309 10 30 AEEERN C=CC(=C)[C@H](C)O[C@H](C)C[C@@H](C)O 308183627 572906052 /nfs/dbraw/zinc/90/60/52/572906052.db2.gz DOQMTBWVVKJCSY-MXWKQRLJSA-N 0 0 184.279 2.293 10 30 AEEERN Cc1cc(C#N)c(O)cc1Cl 75847059 572906182 /nfs/dbraw/zinc/90/61/82/572906182.db2.gz DMMSGQPVNBVDNN-UHFFFAOYSA-N 0 0 167.595 2.226 10 30 AEEERN COc1cccnc1C(=O)C=C(C)C 234893416 572906247 /nfs/dbraw/zinc/90/62/47/572906247.db2.gz GQWRVPSMPDMARS-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN C=CC(=C)[C@H](C)O[C@@H](C)C[C@@H](C)O 308183632 572906330 /nfs/dbraw/zinc/90/63/30/572906330.db2.gz DOQMTBWVVKJCSY-VWYCJHECSA-N 0 0 184.279 2.293 10 30 AEEERN C=CC(=C)[C@H](C)O[C@H](C)C[C@H](C)O 308183617 572906385 /nfs/dbraw/zinc/90/63/85/572906385.db2.gz DOQMTBWVVKJCSY-AXFHLTTASA-N 0 0 184.279 2.293 10 30 AEEERN Cn1c(C#N)nc2cc(Cl)ccc21 75847146 572906438 /nfs/dbraw/zinc/90/64/38/572906438.db2.gz CSZOTSFPRRBWRZ-UHFFFAOYSA-N 0 0 191.621 2.098 10 30 AEEERN COC(=O)Nc1cccc(C)c1C#N 234535279 572906507 /nfs/dbraw/zinc/90/65/07/572906507.db2.gz IRFWQYYGUPAVDX-UHFFFAOYSA-N 0 0 190.202 2.045 10 30 AEEERN C=CC(=C)[C@H](C)O[C@@H](C)C[C@H](C)O 308183622 572906643 /nfs/dbraw/zinc/90/66/43/572906643.db2.gz DOQMTBWVVKJCSY-DCAQKATOSA-N 0 0 184.279 2.293 10 30 AEEERN C=C[C@H](NOC)c1ccc(F)cc1 308183515 572906951 /nfs/dbraw/zinc/90/69/51/572906951.db2.gz DNEXMLRCBZMRRF-JTQLQIEISA-N 0 0 181.210 2.204 10 30 AEEERN Cl/C=C\CON=Cc1ccncc1 308180724 572907287 /nfs/dbraw/zinc/90/72/87/572907287.db2.gz GCXAHUGYCMJVMR-OUGWFZLDSA-N 0 0 196.637 2.185 10 30 AEEERN Cc1nn([C@@H](C)C#N)c(C)c1Cl 50586700 572910559 /nfs/dbraw/zinc/91/05/59/572910559.db2.gz TZUZQLOVJKMKNQ-YFKPBYRVSA-N 0 0 183.642 2.238 10 30 AEEERN C=CC(=O)c1cccc(OCC)c1 83943704 572907485 /nfs/dbraw/zinc/90/74/85/572907485.db2.gz OEDVWHSJYFNAMW-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=C(C)CNc1ccc(OC)cn1 234894818 572907781 /nfs/dbraw/zinc/90/77/81/572907781.db2.gz YEYYDILFELAWHM-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN C[C@H](C#N)n1ncc2ccccc21 50525904 572907795 /nfs/dbraw/zinc/90/77/95/572907795.db2.gz YPDTYBFJBBDHNT-MRVPVSSYSA-N 0 0 171.203 2.121 10 30 AEEERN C[C@@H](C#N)N1CCC[C@@H](C)[C@H]1C 50564808 572907820 /nfs/dbraw/zinc/90/78/20/572907820.db2.gz DFANBDKGXAZKRB-KXUCPTDWSA-N 0 0 166.268 2.019 10 30 AEEERN C=Cn1ccnc1C1=CC(=O)CCC1 75864950 572907870 /nfs/dbraw/zinc/90/78/70/572907870.db2.gz SLEPCAGCROYKKB-UHFFFAOYSA-N 0 0 188.230 2.120 10 30 AEEERN c1ccc([C@]2(c3ccncc3)CO2)cc1 75869986 572907954 /nfs/dbraw/zinc/90/79/54/572907954.db2.gz QLYJGCQIBUUWFO-ZDUSSCGKSA-N 0 0 197.237 2.355 10 30 AEEERN C=CCCCOCC(=O)C(C)C 86277320 572908010 /nfs/dbraw/zinc/90/80/10/572908010.db2.gz WXWWBOIMKSBTDW-UHFFFAOYSA-N 0 0 170.252 2.194 10 30 AEEERN CC(=NO)[C@@H]1CCCC[C@H]1[C@@H](C)O 308185155 572908139 /nfs/dbraw/zinc/90/81/39/572908139.db2.gz FGVLMZKULQDXQX-UTLUCORTSA-N 0 0 185.267 2.024 10 30 AEEERN C/C=N\[C@H](C)[C@H](O)c1ccccc1 308184431 572908221 /nfs/dbraw/zinc/90/82/21/572908221.db2.gz DSXOJWKKMUTWPR-KSVXSNIKSA-N 0 0 177.247 2.199 10 30 AEEERN O=C1C=C(c2ncccc2F)CCC1 75864847 572908235 /nfs/dbraw/zinc/90/82/35/572908235.db2.gz DEORUOQBQHJXIG-UHFFFAOYSA-N 0 0 191.205 2.357 10 30 AEEERN CC[C@@H]1CCC[C@](O)(CCC=O)C1 308184797 572908292 /nfs/dbraw/zinc/90/82/92/572908292.db2.gz IYZIWUJDFSGEQV-MNOVXSKESA-N 0 0 184.279 2.297 10 30 AEEERN CC(=NO)[C@@H]1CCCC[C@@H]1[C@@H](C)O 308185153 572908346 /nfs/dbraw/zinc/90/83/46/572908346.db2.gz FGVLMZKULQDXQX-KXUCPTDWSA-N 0 0 185.267 2.024 10 30 AEEERN CC#CCC[C@H](O)c1ccc(F)nc1 686124190 572908370 /nfs/dbraw/zinc/90/83/70/572908370.db2.gz QSECRBQSSAOAQI-JTQLQIEISA-N 0 0 193.221 2.058 10 30 AEEERN FC(F)CON=C1C[C@@H]2C=CC[C@H]12 308184303 572908407 /nfs/dbraw/zinc/90/84/07/572908407.db2.gz ILHYCMXGQOTMCY-BQBZGAKWSA-N 0 0 187.189 2.220 10 30 AEEERN C=CCCCNc1ccc(N)nc1 308184035 572908433 /nfs/dbraw/zinc/90/84/33/572908433.db2.gz IOHRNGXVBHGORR-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN CC[C@H]1CCC[C@@](O)(CCC=O)C1 308184799 572908451 /nfs/dbraw/zinc/90/84/51/572908451.db2.gz IYZIWUJDFSGEQV-WDEREUQCSA-N 0 0 184.279 2.297 10 30 AEEERN CC(=NO)[C@@H]1CCCC[C@@H]1[C@H](C)O 308185154 572908596 /nfs/dbraw/zinc/90/85/96/572908596.db2.gz FGVLMZKULQDXQX-LPEHRKFASA-N 0 0 185.267 2.024 10 30 AEEERN Cc1cccc(-n2cc(C#N)cn2)c1C 71507487 572908636 /nfs/dbraw/zinc/90/86/36/572908636.db2.gz YECSSBCLPBLDOS-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN c1ccc([C@]2(c3cccnc3)CO2)cc1 75869984 572908684 /nfs/dbraw/zinc/90/86/84/572908684.db2.gz LENKKRLBFHKWHF-ZDUSSCGKSA-N 0 0 197.237 2.355 10 30 AEEERN CCCCCCC/C=C\[C@@H](O)CO 308184617 572908694 /nfs/dbraw/zinc/90/86/94/572908694.db2.gz DYIRXMNKFXMFJJ-TYBABMIJSA-N 0 0 186.295 2.256 10 30 AEEERN CC[C@@H]1CCC[C@@](O)(CCC=O)C1 308184796 572908865 /nfs/dbraw/zinc/90/88/65/572908865.db2.gz IYZIWUJDFSGEQV-GHMZBOCLSA-N 0 0 184.279 2.297 10 30 AEEERN O=C[C@H]1C[C@H]2CCC[C@@H](C1)C2 250511372 572908922 /nfs/dbraw/zinc/90/89/22/572908922.db2.gz BSWBQZPUYMWTJJ-ILWJIGKKSA-N 0 0 152.237 2.402 10 30 AEEERN Cc1nn([C@H](C)C#N)c(C)c1Cl 50586702 572908941 /nfs/dbraw/zinc/90/89/41/572908941.db2.gz TZUZQLOVJKMKNQ-RXMQYKEDSA-N 0 0 183.642 2.238 10 30 AEEERN C/C=N\[C@H](C)[C@@H](O)c1ccccc1 308184433 572909019 /nfs/dbraw/zinc/90/90/19/572909019.db2.gz DSXOJWKKMUTWPR-UAEYNLHTSA-N 0 0 177.247 2.199 10 30 AEEERN C#CCCC(=O)OCC=C1CCC1 308184296 572909035 /nfs/dbraw/zinc/90/90/35/572909035.db2.gz IKSNSLCIXQQJFB-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN CC#CCC[C@@H](O)c1ccc(F)nc1 686124191 572909072 /nfs/dbraw/zinc/90/90/72/572909072.db2.gz QSECRBQSSAOAQI-SNVBAGLBSA-N 0 0 193.221 2.058 10 30 AEEERN O=C[C@@H]1C[C@H]2CCC[C@H](C2)C1 250511375 572909143 /nfs/dbraw/zinc/90/91/43/572909143.db2.gz BSWBQZPUYMWTJJ-MYJAWHEDSA-N 0 0 152.237 2.402 10 30 AEEERN O=CCC[C@@H](O)C1CCCCCC1 308185314 572910801 /nfs/dbraw/zinc/91/08/01/572910801.db2.gz JIEVPEADRYCKAT-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN Cc1nc(C2=CC(=O)CCC2)oc1C 75865132 572909152 /nfs/dbraw/zinc/90/91/52/572909152.db2.gz XLFVHVCEFBMMLL-UHFFFAOYSA-N 0 0 191.230 2.428 10 30 AEEERN FC(F)CON=C1C[C@H]2C=CC[C@@H]12 308184305 572909294 /nfs/dbraw/zinc/90/92/94/572909294.db2.gz ILHYCMXGQOTMCY-RNFRBKRXSA-N 0 0 187.189 2.220 10 30 AEEERN FC(F)CON=C1C[C@@H]2C=CC[C@@H]12 308184304 572909491 /nfs/dbraw/zinc/90/94/91/572909491.db2.gz ILHYCMXGQOTMCY-NKWVEPMBSA-N 0 0 187.189 2.220 10 30 AEEERN FC(F)CON=C1C[C@H]2C=CC[C@H]12 308184306 572909597 /nfs/dbraw/zinc/90/95/97/572909597.db2.gz ILHYCMXGQOTMCY-RQJHMYQMSA-N 0 0 187.189 2.220 10 30 AEEERN c1ccc([C@@]2(c3ccncc3)CO2)cc1 75869987 572909640 /nfs/dbraw/zinc/90/96/40/572909640.db2.gz QLYJGCQIBUUWFO-CYBMUJFWSA-N 0 0 197.237 2.355 10 30 AEEERN Cc1coc(C2=CC(=O)CCC2)n1 75865129 572909644 /nfs/dbraw/zinc/90/96/44/572909644.db2.gz PARMARFSDYYXLK-UHFFFAOYSA-N 0 0 177.203 2.119 10 30 AEEERN Cc1ccc(-c2cc(C#N)c(N)[nH]2)cc1 71507477 572909648 /nfs/dbraw/zinc/90/96/48/572909648.db2.gz HTNGGWGMRSNQJH-UHFFFAOYSA-N 0 0 197.241 2.444 10 30 AEEERN CC(=NO)[C@@H]1CCCC[C@H]1[C@H](C)O 308185152 572909704 /nfs/dbraw/zinc/90/97/04/572909704.db2.gz FGVLMZKULQDXQX-GUBZILKMSA-N 0 0 185.267 2.024 10 30 AEEERN Cc1cc(F)ccc1[C@@H](C#N)N(C)C 50580635 572909810 /nfs/dbraw/zinc/90/98/10/572909810.db2.gz UALLHHQCUBJQNV-LLVKDONJSA-N 0 0 192.237 2.260 10 30 AEEERN CC[C@H]1CCC[C@](O)(CCC=O)C1 308184798 572909830 /nfs/dbraw/zinc/90/98/30/572909830.db2.gz IYZIWUJDFSGEQV-QWRGUYRKSA-N 0 0 184.279 2.297 10 30 AEEERN CCn1ccnc1-c1ccc(C#N)cc1 75873023 572910049 /nfs/dbraw/zinc/91/00/49/572910049.db2.gz QKDDVWWETCUSAQ-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN N#Cc1cccnc1C1=CC(=O)CCC1 75864878 572910167 /nfs/dbraw/zinc/91/01/67/572910167.db2.gz REDPUGOICVFKEO-UHFFFAOYSA-N 0 0 198.225 2.090 10 30 AEEERN c1ccc([C@@]2(c3cccnc3)CO2)cc1 75869985 572910171 /nfs/dbraw/zinc/91/01/71/572910171.db2.gz LENKKRLBFHKWHF-CYBMUJFWSA-N 0 0 197.237 2.355 10 30 AEEERN CC(C)C(=O)C(C)(C)C#CCl 196716882 572910215 /nfs/dbraw/zinc/91/02/15/572910215.db2.gz BREOEQXJTOBAHH-UHFFFAOYSA-N 0 0 172.655 2.437 10 30 AEEERN O=CCC[C@H](O)C1CCCCCC1 308185315 572910864 /nfs/dbraw/zinc/91/08/64/572910864.db2.gz JIEVPEADRYCKAT-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN Cc1cc(F)ccc1[C@H](C#N)N(C)C 50580638 572910346 /nfs/dbraw/zinc/91/03/46/572910346.db2.gz UALLHHQCUBJQNV-NSHDSACASA-N 0 0 192.237 2.260 10 30 AEEERN C#CCON=Cc1cccc(Cl)c1 308182602 572910700 /nfs/dbraw/zinc/91/07/00/572910700.db2.gz HFJUXWVIHYJRJF-UHFFFAOYSA-N 0 0 193.633 2.324 10 30 AEEERN C=C[C@@H](O)C/C(C)=C/Cl 238045465 572915494 /nfs/dbraw/zinc/91/54/94/572915494.db2.gz KRCFHZAMOHUYDM-WEWAHIQMSA-N 0 0 146.617 2.066 10 30 AEEERN CC(C)CN[C@H](C#N)[C@@]1(C)C[C@H]1C 714592242 572910984 /nfs/dbraw/zinc/91/09/84/572910984.db2.gz AAJLUYWXVGWKEH-MXWKQRLJSA-N 0 0 180.295 2.170 10 30 AEEERN COc1cccc(/C=C(/C)C(C)=O)n1 234895111 572911012 /nfs/dbraw/zinc/91/10/12/572911012.db2.gz RCMMNDGGSXVTDC-FPLPWBNLSA-N 0 0 191.230 2.083 10 30 AEEERN CC(C)CN[C@H](C#N)[C@]1(C)C[C@@H]1C 714592241 572911013 /nfs/dbraw/zinc/91/10/13/572911013.db2.gz AAJLUYWXVGWKEH-HBNTYKKESA-N 0 0 180.295 2.170 10 30 AEEERN CC(C)CN[C@H](C#N)[C@]1(C)C[C@H]1C 714592236 572911123 /nfs/dbraw/zinc/91/11/23/572911123.db2.gz AAJLUYWXVGWKEH-GMTAPVOTSA-N 0 0 180.295 2.170 10 30 AEEERN CO[C@H](C)c1nc(CCC#N)cs1 308185265 572911313 /nfs/dbraw/zinc/91/13/13/572911313.db2.gz JFIQUGQMAPLZRE-SSDOTTSWSA-N 0 0 196.275 2.307 10 30 AEEERN CCC(Cc1ccc(C)cc1)=NN 308181955 572911409 /nfs/dbraw/zinc/91/14/09/572911409.db2.gz HRPRXKUMIPRKMI-UHFFFAOYSA-N 0 0 176.263 2.262 10 30 AEEERN CCC[C@H](C#N)C(=O)CC1CC1 86314346 572911820 /nfs/dbraw/zinc/91/18/20/572911820.db2.gz RFAMLLCZVXSURT-SECBINFHSA-N 0 0 165.236 2.295 10 30 AEEERN C=C(CC)CN[C@H](C)c1ccon1 308182348 572911877 /nfs/dbraw/zinc/91/18/77/572911877.db2.gz HYCDJJNGAMDLDC-SECBINFHSA-N 0 0 180.251 2.291 10 30 AEEERN CC(C)CN[C@H](C#N)[C@@]1(C)C[C@@H]1C 714592219 572911944 /nfs/dbraw/zinc/91/19/44/572911944.db2.gz AAJLUYWXVGWKEH-AXFHLTTASA-N 0 0 180.295 2.170 10 30 AEEERN CCC[C@H](C#N)C(=O)C[C@H]1CCCO1 86314478 572911968 /nfs/dbraw/zinc/91/19/68/572911968.db2.gz QTVYCPYGTONYTN-NXEZZACHSA-N 0 0 195.262 2.064 10 30 AEEERN CCCC(C#N)C(=O)[C@H]1CCCCO1 86314277 572912006 /nfs/dbraw/zinc/91/20/06/572912006.db2.gz XHKYIOMHPAFIOV-VHSXEESVSA-N 0 0 195.262 2.064 10 30 AEEERN C#CCNC1=CCCOc2ccccc21 238000893 572912134 /nfs/dbraw/zinc/91/21/34/572912134.db2.gz DZWMNWUUCHXHKQ-UHFFFAOYSA-N 0 0 199.253 2.033 10 30 AEEERN CCC[C@H](C#N)C(=O)[C@@H]1C[C@@H]1C 86314292 572912152 /nfs/dbraw/zinc/91/21/52/572912152.db2.gz KDOHCWIDSWBXCJ-DJLDLDEBSA-N 0 0 165.236 2.151 10 30 AEEERN CCCC(C#N)C(=O)[C@H]1CCCCO1 86314278 572912189 /nfs/dbraw/zinc/91/21/89/572912189.db2.gz XHKYIOMHPAFIOV-NXEZZACHSA-N 0 0 195.262 2.064 10 30 AEEERN C[C@H](CC#N)C(=O)c1ccccc1C#N 235400001 572912405 /nfs/dbraw/zinc/91/24/05/572912405.db2.gz JDOFJSACWFZLOL-SECBINFHSA-N 0 0 198.225 2.291 10 30 AEEERN CCC[C@H](C#N)C(=O)c1ccoc1 86314328 572912501 /nfs/dbraw/zinc/91/25/01/572912501.db2.gz ZBZZLMNBICKPSB-MRVPVSSYSA-N 0 0 177.203 2.402 10 30 AEEERN CCC[C@H](C#N)C(=O)[C@H]1C[C@@H]1C 86314294 572912623 /nfs/dbraw/zinc/91/26/23/572912623.db2.gz KDOHCWIDSWBXCJ-YIZRAAEISA-N 0 0 165.236 2.151 10 30 AEEERN C#CCOCCc1c[nH]c2ccccc12 238002093 572912840 /nfs/dbraw/zinc/91/28/40/572912840.db2.gz ZYBTVESKXTYXRP-UHFFFAOYSA-N 0 0 199.253 2.360 10 30 AEEERN C=CCCOCc1ccnc(Cl)n1 308185925 572912918 /nfs/dbraw/zinc/91/29/18/572912918.db2.gz FNPMGUUOXBPWQU-UHFFFAOYSA-N 0 0 198.653 2.223 10 30 AEEERN CC#C/C=C(\C)[C@@H]1C=CCC[C@H]1O 308186253 572912930 /nfs/dbraw/zinc/91/29/30/572912930.db2.gz FZTYLFBKYDWELS-GJKHTVIGSA-N 0 0 176.259 2.283 10 30 AEEERN CCC[C@@H](C#N)C(=O)c1ccoc1 86314327 572913016 /nfs/dbraw/zinc/91/30/16/572913016.db2.gz ZBZZLMNBICKPSB-QMMMGPOBSA-N 0 0 177.203 2.402 10 30 AEEERN C=C(CC)Cn1cc(C(C)=O)cn1 308187885 572913035 /nfs/dbraw/zinc/91/30/35/572913035.db2.gz LEPWPZJMYSDTKB-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN CCCC(C#N)C(=O)[C@@H]1CCCCO1 86314275 572913958 /nfs/dbraw/zinc/91/39/58/572913958.db2.gz XHKYIOMHPAFIOV-UWVGGRQHSA-N 0 0 195.262 2.064 10 30 AEEERN CCC[C@@H](C#N)C(=O)C[C@@H]1CCCO1 86314475 572913150 /nfs/dbraw/zinc/91/31/50/572913150.db2.gz QTVYCPYGTONYTN-UWVGGRQHSA-N 0 0 195.262 2.064 10 30 AEEERN C=CCSCC[C@H](C#N)NC(C)C 308185823 572913487 /nfs/dbraw/zinc/91/34/87/572913487.db2.gz JQEOGMOOLCAIPD-SNVBAGLBSA-N 0 0 198.335 2.186 10 30 AEEERN C#CCCC[C@H](O)/C=C/C=C/C 238003432 572913333 /nfs/dbraw/zinc/91/33/33/572913333.db2.gz DHPJMURTYYBSEM-WQPWXLQXSA-N 0 0 164.248 2.283 10 30 AEEERN C=CCSCC[C@@H](C#N)NC(C)C 308185822 572913349 /nfs/dbraw/zinc/91/33/49/572913349.db2.gz JQEOGMOOLCAIPD-JTQLQIEISA-N 0 0 198.335 2.186 10 30 AEEERN CCC[C@@H](C#N)C(=O)CC1CC1 86314345 572913367 /nfs/dbraw/zinc/91/33/67/572913367.db2.gz RFAMLLCZVXSURT-VIFPVBQESA-N 0 0 165.236 2.295 10 30 AEEERN C#CCCC(=O)OCc1cccs1 308186458 572913477 /nfs/dbraw/zinc/91/34/77/572913477.db2.gz JOMIHIKEUGLXDD-UHFFFAOYSA-N 0 0 194.255 2.205 10 30 AEEERN CCSCCC[C@]1(C#N)CCCN1 308186011 572913575 /nfs/dbraw/zinc/91/35/75/572913575.db2.gz FUTVCQYCNWADOQ-JTQLQIEISA-N 0 0 198.335 2.165 10 30 AEEERN CCCC(=O)[C@@H](C#N)CCC 86314458 572913604 /nfs/dbraw/zinc/91/36/04/572913604.db2.gz DHAOMWVDXUDQNX-MRVPVSSYSA-N 0 0 153.225 2.295 10 30 AEEERN C=CCNC(=O)C(C(C)C)C(C)C 308185824 572913830 /nfs/dbraw/zinc/91/38/30/572913830.db2.gz JQFCBONQJVXLCQ-UHFFFAOYSA-N 0 0 183.295 2.217 10 30 AEEERN CN(C)[C@@](C)(C#N)c1ccc(F)cc1 57488539 572914434 /nfs/dbraw/zinc/91/44/34/572914434.db2.gz LHAKDETUACAUJT-NSHDSACASA-N 0 0 192.237 2.126 10 30 AEEERN CC(C)C[C@H](C)[C@@H](O)C1(C#N)CC1 308186164 572914450 /nfs/dbraw/zinc/91/44/50/572914450.db2.gz JXMOEUSMWNNRGZ-VHSXEESVSA-N 0 0 181.279 2.333 10 30 AEEERN CN(C)[C@](C)(C#N)c1ccccc1F 57488533 572914452 /nfs/dbraw/zinc/91/44/52/572914452.db2.gz MLXDGRSOAAPUOT-LLVKDONJSA-N 0 0 192.237 2.126 10 30 AEEERN N#CC1(COCC2CC2)CCCC1 308186346 572914455 /nfs/dbraw/zinc/91/44/55/572914455.db2.gz KBKVFUHWGGOTDX-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN CCC[C@@H](C#N)C(=O)c1ccncc1 86314303 572914476 /nfs/dbraw/zinc/91/44/76/572914476.db2.gz CZOMHYAXPOZANN-JTQLQIEISA-N 0 0 188.230 2.204 10 30 AEEERN CN(C(=O)OC(C)(C)C)C(C)(C)C#N 57490442 572914478 /nfs/dbraw/zinc/91/44/78/572914478.db2.gz IEGBQWLSVVEJQX-UHFFFAOYSA-N 0 0 198.266 2.155 10 30 AEEERN CC(C)C[C@@H](C)[C@H](O)C1(C#N)CC1 308186165 572914479 /nfs/dbraw/zinc/91/44/79/572914479.db2.gz JXMOEUSMWNNRGZ-ZJUUUORDSA-N 0 0 181.279 2.333 10 30 AEEERN CCC[C@@H](C#N)C(=O)c1cccnc1 86314223 572914541 /nfs/dbraw/zinc/91/45/41/572914541.db2.gz CLPZAQZPXKYZRP-VIFPVBQESA-N 0 0 188.230 2.204 10 30 AEEERN CCC[C@@H](C#N)C(=O)C[C@H]1CCCO1 86314477 572914610 /nfs/dbraw/zinc/91/46/10/572914610.db2.gz QTVYCPYGTONYTN-VHSXEESVSA-N 0 0 195.262 2.064 10 30 AEEERN CCC[C@H](C#N)C(=O)c1ccco1 86314354 572914623 /nfs/dbraw/zinc/91/46/23/572914623.db2.gz XLABYFQLTXKKJD-MRVPVSSYSA-N 0 0 177.203 2.402 10 30 AEEERN CCCC(=O)[C@H](C#N)CCC 86314457 572914653 /nfs/dbraw/zinc/91/46/53/572914653.db2.gz DHAOMWVDXUDQNX-QMMMGPOBSA-N 0 0 153.225 2.295 10 30 AEEERN C=CC[C@H](O)C(C)(C)CC#CC 238026422 572915137 /nfs/dbraw/zinc/91/51/37/572915137.db2.gz FTHYKVXRSHLLRC-JTQLQIEISA-N 0 0 166.264 2.363 10 30 AEEERN CC#CCCCC#CCCCCO 238028441 572914753 /nfs/dbraw/zinc/91/47/53/572914753.db2.gz ZQNWNABJLVIWDL-UHFFFAOYSA-N 0 0 178.275 2.346 10 30 AEEERN CCC[C@H](C#N)C(=O)c1ccncc1 86314304 572914790 /nfs/dbraw/zinc/91/47/90/572914790.db2.gz CZOMHYAXPOZANN-SNVBAGLBSA-N 0 0 188.230 2.204 10 30 AEEERN CN(C)[C@@](C)(C#N)c1ccccc1F 57488534 572914865 /nfs/dbraw/zinc/91/48/65/572914865.db2.gz MLXDGRSOAAPUOT-NSHDSACASA-N 0 0 192.237 2.126 10 30 AEEERN C=CC[C@@H](O)C(C)(C)CC#CC 238026444 572914971 /nfs/dbraw/zinc/91/49/71/572914971.db2.gz FTHYKVXRSHLLRC-SNVBAGLBSA-N 0 0 166.264 2.363 10 30 AEEERN CN(C)[C@](C)(C#N)c1ccc(F)cc1 57488538 572915074 /nfs/dbraw/zinc/91/50/74/572915074.db2.gz LHAKDETUACAUJT-LLVKDONJSA-N 0 0 192.237 2.126 10 30 AEEERN CC(C)C[C@@H](C)[C@@H](O)C1(C#N)CC1 308186162 572915092 /nfs/dbraw/zinc/91/50/92/572915092.db2.gz JXMOEUSMWNNRGZ-NXEZZACHSA-N 0 0 181.279 2.333 10 30 AEEERN CCC[C@H](C#N)C(=O)c1cccnc1 86314224 572915097 /nfs/dbraw/zinc/91/50/97/572915097.db2.gz CLPZAQZPXKYZRP-SECBINFHSA-N 0 0 188.230 2.204 10 30 AEEERN C[C@@H]1C[C@@]1(C)[C@H](C#N)NC1CCCC1 714596795 572915531 /nfs/dbraw/zinc/91/55/31/572915531.db2.gz OSAFEZFPXALFKY-ADEWGFFLSA-N 0 0 192.306 2.457 10 30 AEEERN CC#C[C@@H](O)c1ccnc2ccccc12 238042473 572915623 /nfs/dbraw/zinc/91/56/23/572915623.db2.gz ILLVSRVHQQPTJN-CYBMUJFWSA-N 0 0 197.237 2.292 10 30 AEEERN C=C(/C=C/C)C[C@H](O)C(F)(F)F 237991769 572915636 /nfs/dbraw/zinc/91/56/36/572915636.db2.gz WRAJPJKBBBMKAM-SDLBARTOSA-N 0 0 180.169 2.432 10 30 AEEERN C/C(=C\CCC#N)CCCCO 238039235 572915675 /nfs/dbraw/zinc/91/56/75/572915675.db2.gz IZFRZQMFTOZODJ-UXBLZVDNSA-N 0 0 167.252 2.399 10 30 AEEERN C/C=C/C#CC#C/C=C/C=C/C=C/CO 237990734 572915730 /nfs/dbraw/zinc/91/57/30/572915730.db2.gz FJIMSWIPTFRJFX-VJPDNLQHSA-N 0 0 198.265 2.230 10 30 AEEERN Cc1ncccc1N=[N+]=[N-] 72231174 572916763 /nfs/dbraw/zinc/91/67/63/572916763.db2.gz OLPPATZLLGFDSA-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN CC1CCC([C@H](O)CCC=O)CC1 308188653 572916109 /nfs/dbraw/zinc/91/61/09/572916109.db2.gz LVMMJFIBNBZSND-VQXHTEKXSA-N 0 0 184.279 2.153 10 30 AEEERN Cc1cc(N=[N+]=[N-])ccn1 72231177 572916113 /nfs/dbraw/zinc/91/61/13/572916113.db2.gz ZGVRZIGFWRCOMS-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN CC(=O)C(C)(C)CCCCC=O 238047931 572916240 /nfs/dbraw/zinc/91/62/40/572916240.db2.gz RMHYDFUJWGBYST-UHFFFAOYSA-N 0 0 170.252 2.361 10 30 AEEERN C=CCCC[C@]1(C=O)CCCOC1 317569781 572916324 /nfs/dbraw/zinc/91/63/24/572916324.db2.gz LPUUKTKWOFHLBV-LLVKDONJSA-N 0 0 182.263 2.338 10 30 AEEERN CC(=O)C=C=CCCCCCCCO 238037321 572916374 /nfs/dbraw/zinc/91/63/74/572916374.db2.gz HGXRJWSLCGKODZ-UHFFFAOYSA-N 0 0 196.290 2.302 10 30 AEEERN C=C(CC)C[C@H](O)c1coc(C)n1 308188879 572916377 /nfs/dbraw/zinc/91/63/77/572916377.db2.gz MBGKMCVFRFICSI-JTQLQIEISA-N 0 0 181.235 2.373 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@@H](C#N)NC1CCCC1 714596796 572916435 /nfs/dbraw/zinc/91/64/35/572916435.db2.gz OSAFEZFPXALFKY-JLLWLGSASA-N 0 0 192.306 2.457 10 30 AEEERN CC(=O)C(C)(C)C(C)(C)CC=O 238047455 572916525 /nfs/dbraw/zinc/91/65/25/572916525.db2.gz UPQIUZBNYBMEMZ-UHFFFAOYSA-N 0 0 170.252 2.217 10 30 AEEERN C=C(CC)C[C@@H](O)c1coc(C)n1 308188880 572916639 /nfs/dbraw/zinc/91/66/39/572916639.db2.gz MBGKMCVFRFICSI-SNVBAGLBSA-N 0 0 181.235 2.373 10 30 AEEERN C/C=C/[C@@H]1OC(C)(C)O[C@@H]1CCC=O 238043750 572916672 /nfs/dbraw/zinc/91/66/72/572916672.db2.gz RMRKJHNCERSKHJ-RQMIITCSSA-N 0 0 198.262 2.062 10 30 AEEERN C=C(/C=C/C)C[C@@H](O)C(F)(F)F 237991683 572916676 /nfs/dbraw/zinc/91/66/76/572916676.db2.gz WRAJPJKBBBMKAM-KGGZQZJCSA-N 0 0 180.169 2.432 10 30 AEEERN C=C(C)CC[C@H](O)c1coc(C)n1 308188882 572916769 /nfs/dbraw/zinc/91/67/69/572916769.db2.gz MBIGVUXWFLYQLG-JTQLQIEISA-N 0 0 181.235 2.373 10 30 AEEERN Cc1ccc(N=[N+]=[N-])cn1 72231173 572916813 /nfs/dbraw/zinc/91/68/13/572916813.db2.gz HACNCSXWNOMYDX-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN C=CC(=O)CCCn1cccc1 238037157 572916844 /nfs/dbraw/zinc/91/68/44/572916844.db2.gz URBBGOYMAPCETC-UHFFFAOYSA-N 0 0 163.220 2.023 10 30 AEEERN C/C(CS)=C(/C)CCCCO 238044468 572916917 /nfs/dbraw/zinc/91/69/17/572916917.db2.gz NTGROOTVQHKKQD-CMDGGOBGSA-N 0 0 174.309 2.415 10 30 AEEERN CC#CC/C=C/CCCCO 238038203 572917053 /nfs/dbraw/zinc/91/70/53/572917053.db2.gz RACUUYDEQBCGDR-AATRIKPKSA-N 0 0 152.237 2.119 10 30 AEEERN C=CC[C@H](C=O)CC=C1CC1 238084759 572917346 /nfs/dbraw/zinc/91/73/46/572917346.db2.gz KIVBTOGRSVUMTO-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@](C)(C(C)=O)[C@H](O)/C=C/C 238038972 572917351 /nfs/dbraw/zinc/91/73/51/572917351.db2.gz YHZSPUKKBGXLHQ-HOGLGZINSA-N 0 0 182.263 2.095 10 30 AEEERN C/C=C/[C@@H]1OC(C)(C)O[C@H]1CCC=O 238043951 572917358 /nfs/dbraw/zinc/91/73/58/572917358.db2.gz RMRKJHNCERSKHJ-ROSDIQCESA-N 0 0 198.262 2.062 10 30 AEEERN C#CCCC(=O)C(=C)CC=C 238045422 572917485 /nfs/dbraw/zinc/91/74/85/572917485.db2.gz ZFAJLQHDVQVNFJ-UHFFFAOYSA-N 0 0 148.205 2.101 10 30 AEEERN CC(C)c1cc(C#N)c(Cl)nn1 83964570 572918876 /nfs/dbraw/zinc/91/88/76/572918876.db2.gz ZMQOKGFNPZUEFC-UHFFFAOYSA-N 0 0 181.626 2.125 10 30 AEEERN C=C(CC(=O)C(C)(C)C)C(C)=O 238040499 572917582 /nfs/dbraw/zinc/91/75/82/572917582.db2.gz MDFZRRVPBOGBJC-UHFFFAOYSA-N 0 0 168.236 2.137 10 30 AEEERN C=CCC#Cc1ccccc1C#CC=O 238045373 572917537 /nfs/dbraw/zinc/91/75/37/572917537.db2.gz AWBUREBNJLCIPI-UHFFFAOYSA-N 0 0 194.233 2.165 10 30 AEEERN CC1CCC([C@@H](O)CCC=O)CC1 308188652 572917557 /nfs/dbraw/zinc/91/75/57/572917557.db2.gz LVMMJFIBNBZSND-ILDUYXDCSA-N 0 0 184.279 2.153 10 30 AEEERN C=C(C)CC[C@@H](O)c1coc(C)n1 308188883 572917668 /nfs/dbraw/zinc/91/76/68/572917668.db2.gz MBIGVUXWFLYQLG-SNVBAGLBSA-N 0 0 181.235 2.373 10 30 AEEERN C[C@@H]1C[C@@]1(C)[C@@H](C#N)NC1CCCC1 714596801 572917670 /nfs/dbraw/zinc/91/76/70/572917670.db2.gz OSAFEZFPXALFKY-YUSALJHKSA-N 0 0 192.306 2.457 10 30 AEEERN CCCN(CC#N)CCCC(F)F 688713670 572917690 /nfs/dbraw/zinc/91/76/90/572917690.db2.gz JRMZJGFUTMMTIB-UHFFFAOYSA-N 0 0 190.237 2.267 10 30 AEEERN C=CCC[C@@H]1NC(=O)O[C@H]1CC=C 238061401 572918882 /nfs/dbraw/zinc/91/88/82/572918882.db2.gz OWSSBSSSLHEHBX-IUCAKERBSA-N 0 0 181.235 2.006 10 30 AEEERN Cc1ccc(F)c([C@H](O)[C@H](C)C#N)c1 235405515 572918033 /nfs/dbraw/zinc/91/80/33/572918033.db2.gz SXKWPAFEUOLWAZ-LDYMZIIASA-N 0 0 193.221 2.327 10 30 AEEERN C=CCC[C@@H]1OC(=O)N[C@H]1CC=C 238061606 572918061 /nfs/dbraw/zinc/91/80/61/572918061.db2.gz RSRZYPLGGOQBEN-IUCAKERBSA-N 0 0 181.235 2.006 10 30 AEEERN C=CCC[C@@H]1OC(=O)N[C@@H]1CC=C 238061582 572918114 /nfs/dbraw/zinc/91/81/14/572918114.db2.gz RSRZYPLGGOQBEN-BDAKNGLRSA-N 0 0 181.235 2.006 10 30 AEEERN C=CCCCC1=CC(=O)CCO1 238051726 572918163 /nfs/dbraw/zinc/91/81/63/572918163.db2.gz YGTXZYCPKQJUSW-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=CCC(C#N)(CC=C)C(C)=O 238051675 572918169 /nfs/dbraw/zinc/91/81/69/572918169.db2.gz TYIGYXRTMGLGIW-UHFFFAOYSA-N 0 0 163.220 2.238 10 30 AEEERN C=C/C=C/CC[C@@H](O)C(=O)C(=C)C 238068143 572918221 /nfs/dbraw/zinc/91/82/21/572918221.db2.gz XHXSXSJDAWQJEI-BRAIEQGRSA-N 0 0 180.247 2.015 10 30 AEEERN C=C/C=C/CC[C@H](O)C(=O)C(=C)C 238067839 572918306 /nfs/dbraw/zinc/91/83/06/572918306.db2.gz XHXSXSJDAWQJEI-PORFMDCZSA-N 0 0 180.247 2.015 10 30 AEEERN FC(F)(F)CON=Cc1ccoc1 308189460 572918446 /nfs/dbraw/zinc/91/84/46/572918446.db2.gz MLNAALRJDOGGKB-UHFFFAOYSA-N 0 0 193.124 2.192 10 30 AEEERN C=CCCc1ncccc1C=O 238064828 572918448 /nfs/dbraw/zinc/91/84/48/572918448.db2.gz ZOFKBHVCLWDBKG-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN C#CCCC[C@H](O)C1(SC)CCC1 308189345 572918452 /nfs/dbraw/zinc/91/84/52/572918452.db2.gz MOSRNENKEUJIAB-JTQLQIEISA-N 0 0 198.331 2.437 10 30 AEEERN C=CC[C@](C)(C(C)=O)[C@@H](O)/C=C/C 238059813 572918462 /nfs/dbraw/zinc/91/84/62/572918462.db2.gz YHZSPUKKBGXLHQ-KKSDUGGKSA-N 0 0 182.263 2.095 10 30 AEEERN C=CCCCC[C@H]1CCC(=O)N1 238054247 572918511 /nfs/dbraw/zinc/91/85/11/572918511.db2.gz KDEYTTQKXPMXBJ-VIFPVBQESA-N 0 0 167.252 2.011 10 30 AEEERN C#CCC[C@H](O)C(C1CC1)C1CC1 308189866 572918549 /nfs/dbraw/zinc/91/85/49/572918549.db2.gz ISHRFTKKESOSHY-NSHDSACASA-N 0 0 178.275 2.197 10 30 AEEERN C=C(CCC=O)C(=O)c1ccccc1 238057274 572918612 /nfs/dbraw/zinc/91/86/12/572918612.db2.gz LFABHFHKXWVITN-UHFFFAOYSA-N 0 0 188.226 2.405 10 30 AEEERN C=CCCCCOCC(=O)C=C 238053532 572918627 /nfs/dbraw/zinc/91/86/27/572918627.db2.gz QJGCQOAKEIDZFR-UHFFFAOYSA-N 0 0 168.236 2.114 10 30 AEEERN C=CC[C@H](CC=O)C(C)(C)C(C)=O 238050001 572918645 /nfs/dbraw/zinc/91/86/45/572918645.db2.gz DJPVXTKPSHWESU-SNVBAGLBSA-N 0 0 182.263 2.383 10 30 AEEERN CCC(=NNCCCOC)C(C)C 308190010 572918676 /nfs/dbraw/zinc/91/86/76/572918676.db2.gz MXTHWYDSXWFJFT-UHFFFAOYSA-N 0 0 186.299 2.035 10 30 AEEERN CC(=O)O[C@@H]1CCC[C@@]1(C)CCC=O 238062483 572918691 /nfs/dbraw/zinc/91/86/91/572918691.db2.gz PXQLHGIKVVRAOK-MNOVXSKESA-N 0 0 198.262 2.087 10 30 AEEERN C=CCCC(=O)[C@@H]1[C@@H]2C=CC[C@@H]21 238050247 572918708 /nfs/dbraw/zinc/91/87/08/572918708.db2.gz UVIBOYZONMFJSW-WCABBAIRSA-N 0 0 162.232 2.344 10 30 AEEERN CC(=O)O[C@@H]1CCC[C@]1(C)CCC=O 238062941 572918744 /nfs/dbraw/zinc/91/87/44/572918744.db2.gz PXQLHGIKVVRAOK-GHMZBOCLSA-N 0 0 198.262 2.087 10 30 AEEERN C#CCON[C@H](C)CC1CCCCC1 689779023 572918773 /nfs/dbraw/zinc/91/87/73/572918773.db2.gz TUJDXVYEMKOVOF-LLVKDONJSA-N 0 0 195.306 2.500 10 30 AEEERN CC#C[C@@](C)(O)CCCC(F)(F)F 308189341 572918803 /nfs/dbraw/zinc/91/88/03/572918803.db2.gz MOILXGASAFRVTR-MRVPVSSYSA-N 0 0 194.196 2.493 10 30 AEEERN CC(=NC#N)N[C@H]1CCc2ccccc21 238050689 572918872 /nfs/dbraw/zinc/91/88/72/572918872.db2.gz XMCWXANUEITWQY-LBPRGKRZSA-N 0 0 199.257 2.163 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)CC(C)C 86327547 572920344 /nfs/dbraw/zinc/92/03/44/572920344.db2.gz ZJKCPXJEGNLIOB-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN C=C(C)C(C)(C)[C@@H](O)CCCCO 238069573 572918893 /nfs/dbraw/zinc/91/88/93/572918893.db2.gz UEBYOQDLIPHONB-JTQLQIEISA-N 0 0 186.295 2.112 10 30 AEEERN CCC[C@H](C#N)[C@H](O)C1CCCC1 86327505 572920347 /nfs/dbraw/zinc/92/03/47/572920347.db2.gz HZLWXLHPQXZJEA-GHMZBOCLSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)CC(C)C 86327553 572920277 /nfs/dbraw/zinc/92/02/77/572920277.db2.gz ZJKCPXJEGNLIOB-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN C=CCCCCCC[C@@]1(C=O)CO1 238052814 572919011 /nfs/dbraw/zinc/91/90/11/572919011.db2.gz SWBLMFXRSUOPFE-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN C=C(C)C(=C)C[C@@H](O)C(F)(F)F 238058385 572919068 /nfs/dbraw/zinc/91/90/68/572919068.db2.gz ROYYVBLHIROLML-SSDOTTSWSA-N 0 0 180.169 2.432 10 30 AEEERN C#CCCCC(C=O)(C=O)CCC=C 238050446 572919071 /nfs/dbraw/zinc/91/90/71/572919071.db2.gz XZMSNTPVLBZOOY-UHFFFAOYSA-N 0 0 192.258 2.140 10 30 AEEERN CC(N)=C1C(=O)[C@]2(C)CC[C@H]1C2(C)C 238049532 572919095 /nfs/dbraw/zinc/91/90/95/572919095.db2.gz YBKJWLLVZYRCGL-YNXJIUSCSA-N 0 0 193.290 2.244 10 30 AEEERN CC(=NC#N)N[C@@H]1CCc2ccccc21 238050663 572919107 /nfs/dbraw/zinc/91/91/07/572919107.db2.gz XMCWXANUEITWQY-GFCCVEGCSA-N 0 0 199.257 2.163 10 30 AEEERN C=C(C)C[C@H]1[C@H](CO)C1(C)C 207451875 572920288 /nfs/dbraw/zinc/92/02/88/572920288.db2.gz SOVZYPCUJWQTRI-IUCAKERBSA-N 0 0 154.253 2.217 10 30 AEEERN C=CCC[C@H]1NC(=O)O[C@@H]1CC=C 238063520 572919153 /nfs/dbraw/zinc/91/91/53/572919153.db2.gz OWSSBSSSLHEHBX-RKDXNWHRSA-N 0 0 181.235 2.006 10 30 AEEERN C#CCON[C@@H](C)CC1CCCCC1 689779037 572919164 /nfs/dbraw/zinc/91/91/64/572919164.db2.gz TUJDXVYEMKOVOF-NSHDSACASA-N 0 0 195.306 2.500 10 30 AEEERN C=C(C)C(=C)C[C@H](O)C(F)(F)F 238058572 572919220 /nfs/dbraw/zinc/91/92/20/572919220.db2.gz ROYYVBLHIROLML-ZETCQYMHSA-N 0 0 180.169 2.432 10 30 AEEERN C=CCCOC1=CCCCC1=O 238059006 572919269 /nfs/dbraw/zinc/91/92/69/572919269.db2.gz JQWMPIFILGOSKS-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C#CC[NH2+][C@@H](C=C)CCCC=C 238055488 572919295 /nfs/dbraw/zinc/91/92/95/572919295.db2.gz OOGBUBJRNLIERJ-NSHDSACASA-N 0 0 163.264 2.120 10 30 AEEERN C=CCCC[C@@H]1CCCC(=O)N1 238055733 572919302 /nfs/dbraw/zinc/91/93/02/572919302.db2.gz CBSAZYZZHSMLPE-SECBINFHSA-N 0 0 167.252 2.011 10 30 AEEERN C=C[C@H](O)CCCC[C@@H](O)/C=C/C 238055929 572919321 /nfs/dbraw/zinc/91/93/21/572919321.db2.gz ASUCCULFALNCNC-HFCJNZDQSA-N 0 0 184.279 2.031 10 30 AEEERN Cc1ccc(F)cc1[C@@H](O)[C@H](C)C#N 235406605 572919336 /nfs/dbraw/zinc/91/93/36/572919336.db2.gz JCKMDQBCCHBVBW-KCJUWKMLSA-N 0 0 193.221 2.327 10 30 AEEERN C/C=C/[C@H]1OC(C)(C)O[C@H]1CCC=O 238063858 572919350 /nfs/dbraw/zinc/91/93/50/572919350.db2.gz RMRKJHNCERSKHJ-HANDCERCSA-N 0 0 198.262 2.062 10 30 AEEERN C=CCCC[C@@H](O)C#CC(=C)C 238057207 572919358 /nfs/dbraw/zinc/91/93/58/572919358.db2.gz UMXREGZIADSUHT-LLVKDONJSA-N 0 0 164.248 2.283 10 30 AEEERN C=CC[C@@H](CC=O)C(C)(C)C(C)=O 238049446 572919385 /nfs/dbraw/zinc/91/93/85/572919385.db2.gz DJPVXTKPSHWESU-JTQLQIEISA-N 0 0 182.263 2.383 10 30 AEEERN C=CCC[C@H]1NC(=O)O[C@H]1CC=C 238063547 572919395 /nfs/dbraw/zinc/91/93/95/572919395.db2.gz OWSSBSSSLHEHBX-BDAKNGLRSA-N 0 0 181.235 2.006 10 30 AEEERN CC(C)c1cc(C#N)nnc1Cl 83964562 572919443 /nfs/dbraw/zinc/91/94/43/572919443.db2.gz DFSXXHJZZVBVTN-UHFFFAOYSA-N 0 0 181.626 2.125 10 30 AEEERN C=CCC[C@@H]1NC(=O)O[C@@H]1CC=C 238061370 572919462 /nfs/dbraw/zinc/91/94/62/572919462.db2.gz OWSSBSSSLHEHBX-DTWKUNHWSA-N 0 0 181.235 2.006 10 30 AEEERN C#CCC[C@@H](O)C(C1CC1)C1CC1 308189865 572919547 /nfs/dbraw/zinc/91/95/47/572919547.db2.gz ISHRFTKKESOSHY-LLVKDONJSA-N 0 0 178.275 2.197 10 30 AEEERN C=CCC[C@H]1OC(=O)N[C@@H]1CC=C 238063649 572919577 /nfs/dbraw/zinc/91/95/77/572919577.db2.gz RSRZYPLGGOQBEN-RKDXNWHRSA-N 0 0 181.235 2.006 10 30 AEEERN C=CCCCCC1=CCCNC1=O 238052222 572919603 /nfs/dbraw/zinc/91/96/03/572919603.db2.gz UNORVEGYGQVSMH-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN C=CCCC[C@H](O)C#CC(=C)C 238056409 572919699 /nfs/dbraw/zinc/91/96/99/572919699.db2.gz UMXREGZIADSUHT-NSHDSACASA-N 0 0 164.248 2.283 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)CC(C)C 86327552 572920300 /nfs/dbraw/zinc/92/03/00/572920300.db2.gz ZJKCPXJEGNLIOB-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@H](C#N)[C@](O)(CC)C1CC1 86327960 572919809 /nfs/dbraw/zinc/91/98/09/572919809.db2.gz FLBAQDCIHILNAT-MNOVXSKESA-N 0 0 181.279 2.477 10 30 AEEERN C=CCNC(=O)CCC#C/C(C)=C\C 238057891 572919811 /nfs/dbraw/zinc/91/98/11/572919811.db2.gz MPSOAZOVTXJKDZ-WZUFQYTHSA-N 0 0 191.274 2.038 10 30 AEEERN CC#C[C@]1(C)O[C@@H]1[C@@H](C)C[C@@H](C)C=O 238050667 572919828 /nfs/dbraw/zinc/91/98/28/572919828.db2.gz IWDZERKERZURDL-KXNHARMFSA-N 0 0 194.274 2.028 10 30 AEEERN C=CCCCCC[C@@H]1O[C@H]1C=O 238053091 572919840 /nfs/dbraw/zinc/91/98/40/572919840.db2.gz RRAMVKWPACUFRM-UWVGGRQHSA-N 0 0 168.236 2.089 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)c1ccccn1 86326972 572919856 /nfs/dbraw/zinc/91/98/56/572919856.db2.gz TYRDBPDWQLKCOP-MWLCHTKSSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)c1ccccn1 86326963 572920123 /nfs/dbraw/zinc/92/01/23/572920123.db2.gz TYRDBPDWQLKCOP-ONGXEEELSA-N 0 0 190.246 2.055 10 30 AEEERN Cc1ccc(F)c([C@@H](O)[C@H](C)C#N)c1 235406433 572919865 /nfs/dbraw/zinc/91/98/65/572919865.db2.gz SXKWPAFEUOLWAZ-KCJUWKMLSA-N 0 0 193.221 2.327 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)c1ccco1 86326852 572919871 /nfs/dbraw/zinc/91/98/71/572919871.db2.gz XYACZRVNTNBITQ-WCBMZHEXSA-N 0 0 179.219 2.253 10 30 AEEERN CC#C[C@](C)(O)CCCC(F)(F)F 308189342 572920154 /nfs/dbraw/zinc/92/01/54/572920154.db2.gz MOILXGASAFRVTR-QMMMGPOBSA-N 0 0 194.196 2.493 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)C1CCCC1 86327502 572919897 /nfs/dbraw/zinc/91/98/97/572919897.db2.gz HZLWXLHPQXZJEA-WDEREUQCSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCC[C@H]1OC(=O)N[C@H]1CC=C 238063679 572919927 /nfs/dbraw/zinc/91/99/27/572919927.db2.gz RSRZYPLGGOQBEN-DTWKUNHWSA-N 0 0 181.235 2.006 10 30 AEEERN C#CCCC[C@@H](O)C1(SC)CCC1 308189346 572919939 /nfs/dbraw/zinc/91/99/39/572919939.db2.gz MOSRNENKEUJIAB-SNVBAGLBSA-N 0 0 198.331 2.437 10 30 AEEERN C#CC[NH2+][C@@H](/C=C/C)C(C)(C)C 238053269 572919947 /nfs/dbraw/zinc/91/99/47/572919947.db2.gz AKIPSYXPZRXEGA-PCGIRMHASA-N 0 0 165.280 2.200 10 30 AEEERN C=CC[C@@H]1CC[C@H](C)[C@H](CCO)O1 308189491 572919949 /nfs/dbraw/zinc/91/99/49/572919949.db2.gz IEPQZWDTRWDSHJ-AXFHLTTASA-N 0 0 184.279 2.129 10 30 AEEERN Cc1ccc(F)cc1[C@H](O)[C@H](C)C#N 235405684 572919957 /nfs/dbraw/zinc/91/99/57/572919957.db2.gz JCKMDQBCCHBVBW-LDYMZIIASA-N 0 0 193.221 2.327 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)c1ccccn1 86326969 572920310 /nfs/dbraw/zinc/92/03/10/572920310.db2.gz TYRDBPDWQLKCOP-GXSJLCMTSA-N 0 0 190.246 2.055 10 30 AEEERN C[C@H](C#N)[C@H](O)c1cc(F)cc(F)c1 235406538 572919963 /nfs/dbraw/zinc/91/99/63/572919963.db2.gz GRCQACACUYOINA-LDWIPMOCSA-N 0 0 197.184 2.158 10 30 AEEERN CCC[C@H](C#N)[C@](C)(O)C(C)C 86326545 572920002 /nfs/dbraw/zinc/92/00/02/572920002.db2.gz HKBRBCYEGFKSMC-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN C=CCCCCC[C@H]1O[C@@H]1C=O 238053182 572920014 /nfs/dbraw/zinc/92/00/14/572920014.db2.gz RRAMVKWPACUFRM-NXEZZACHSA-N 0 0 168.236 2.089 10 30 AEEERN C=CCCCC(C(C)=O)C(C)=O 238051936 572920069 /nfs/dbraw/zinc/92/00/69/572920069.db2.gz VVCVOLRWIGHZRP-UHFFFAOYSA-N 0 0 168.236 2.137 10 30 AEEERN C=CCCC[C@H]1CCCC(=O)N1 238056776 572920106 /nfs/dbraw/zinc/92/01/06/572920106.db2.gz CBSAZYZZHSMLPE-VIFPVBQESA-N 0 0 167.252 2.011 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)c1ccncc1 86326862 572920113 /nfs/dbraw/zinc/92/01/13/572920113.db2.gz CBWLHZALRCHECQ-QWRGUYRKSA-N 0 0 190.246 2.055 10 30 AEEERN C=CCCCC[C@@H]1CCC(=O)N1 238053779 572920119 /nfs/dbraw/zinc/92/01/19/572920119.db2.gz KDEYTTQKXPMXBJ-SECBINFHSA-N 0 0 167.252 2.011 10 30 AEEERN CCC[C@H](C#N)[C@H](O)c1ccoc1 86327391 572920120 /nfs/dbraw/zinc/92/01/20/572920120.db2.gz NTYVUCURFPOGFD-SCZZXKLOSA-N 0 0 179.219 2.253 10 30 AEEERN CCC[C@@H](C#N)[C@](C)(O)C1CC1 86326554 572920321 /nfs/dbraw/zinc/92/03/21/572920321.db2.gz LLOXKYUIGGDZBK-VHSXEESVSA-N 0 0 167.252 2.087 10 30 AEEERN CCC[C@H](C#N)[C@](C)(O)C1CC1 86326557 572920197 /nfs/dbraw/zinc/92/01/97/572920197.db2.gz LLOXKYUIGGDZBK-NXEZZACHSA-N 0 0 167.252 2.087 10 30 AEEERN CCC[C@H](C#N)[C@H](O)C(C)(C)C 86327676 572920200 /nfs/dbraw/zinc/92/02/00/572920200.db2.gz IGDQWIURYMZHIC-BDAKNGLRSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@H](C#N)C(O)(CC)CC 86326541 572920207 /nfs/dbraw/zinc/92/02/07/572920207.db2.gz KSJHKYUPFJODLR-SECBINFHSA-N 0 0 169.268 2.477 10 30 AEEERN CCC[C@H](C#N)[C@H](O)c1ccccn1 86326966 572920329 /nfs/dbraw/zinc/92/03/29/572920329.db2.gz TYRDBPDWQLKCOP-KOLCDFICSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)CCC 86327537 572920248 /nfs/dbraw/zinc/92/02/48/572920248.db2.gz YBTQDZTZLQQYSL-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)c1cccnc1 86326958 572920400 /nfs/dbraw/zinc/92/04/00/572920400.db2.gz BLBKQMZXCFRVNF-GXSJLCMTSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)CCSC 86327637 572920402 /nfs/dbraw/zinc/92/04/02/572920402.db2.gz MRGZMUUBKYSLJU-BDAKNGLRSA-N 0 0 187.308 2.040 10 30 AEEERN CC(C)([NH3+])c1c(F)cc(C#N)cc1F 75927571 572920491 /nfs/dbraw/zinc/92/04/91/572920491.db2.gz UDLKSVKZZSGJKK-UHFFFAOYSA-N 0 0 196.200 2.030 10 30 AEEERN CCCC[C@@H]1O[C@H]1[C@@H](O)CC(C)C 308192891 572920508 /nfs/dbraw/zinc/92/05/08/572920508.db2.gz KOWAZOSHWGCITN-DCAQKATOSA-N 0 0 186.295 2.351 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)C1CCCC1 86327508 572920535 /nfs/dbraw/zinc/92/05/35/572920535.db2.gz HZLWXLHPQXZJEA-QWRGUYRKSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)C1CCCC1 86327513 572920618 /nfs/dbraw/zinc/92/06/18/572920618.db2.gz HZLWXLHPQXZJEA-MNOVXSKESA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@@H](O)[C@@H](C#N)CCC 86327538 572920605 /nfs/dbraw/zinc/92/06/05/572920605.db2.gz YBTQDZTZLQQYSL-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)c1ccoc1 86327388 572920622 /nfs/dbraw/zinc/92/06/22/572920622.db2.gz NTYVUCURFPOGFD-WPRPVWTQSA-N 0 0 179.219 2.253 10 30 AEEERN COc1ccc(F)c(SC)c1C#N 75927490 572920693 /nfs/dbraw/zinc/92/06/93/572920693.db2.gz ZKCJYPKBIBRZRJ-UHFFFAOYSA-N 0 0 197.234 2.428 10 30 AEEERN CCC[C@@H](C#N)[C@@](O)(CC)C1CC1 86327952 572920696 /nfs/dbraw/zinc/92/06/96/572920696.db2.gz FLBAQDCIHILNAT-WDEREUQCSA-N 0 0 181.279 2.477 10 30 AEEERN CCCC[C@@H](O)[C@@H](C#N)CCC 86327623 572920732 /nfs/dbraw/zinc/92/07/32/572920732.db2.gz JYGPCSZEKDOYRM-NXEZZACHSA-N 0 0 169.268 2.477 10 30 AEEERN CCC[C@@H](C#N)[C@](C)(O)C(C)C 86326544 572920743 /nfs/dbraw/zinc/92/07/43/572920743.db2.gz HKBRBCYEGFKSMC-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)c1ccncc1 86326857 572920757 /nfs/dbraw/zinc/92/07/57/572920757.db2.gz CBWLHZALRCHECQ-WDEREUQCSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@H](C#N)[C@H](O)CCSC 86327628 572920759 /nfs/dbraw/zinc/92/07/59/572920759.db2.gz MRGZMUUBKYSLJU-RKDXNWHRSA-N 0 0 187.308 2.040 10 30 AEEERN CCC[C@H](C#N)[C@H](O)c1ccco1 86326849 572920777 /nfs/dbraw/zinc/92/07/77/572920777.db2.gz XYACZRVNTNBITQ-SCZZXKLOSA-N 0 0 179.219 2.253 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)C(C)(C)C 86327680 572920803 /nfs/dbraw/zinc/92/08/03/572920803.db2.gz IGDQWIURYMZHIC-DTWKUNHWSA-N 0 0 169.268 2.333 10 30 AEEERN C=CC[C@@H]1CCC[C@]1(C#N)OC(C)=O 238079178 572920841 /nfs/dbraw/zinc/92/08/41/572920841.db2.gz TWPLNAUVJPGVBF-GHMZBOCLSA-N 0 0 193.246 2.188 10 30 AEEERN CCCC[C@H](O)[C@H](C#N)CCC 86327614 572920843 /nfs/dbraw/zinc/92/08/43/572920843.db2.gz JYGPCSZEKDOYRM-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)C(C)(C)C 86327673 572920909 /nfs/dbraw/zinc/92/09/09/572920909.db2.gz IGDQWIURYMZHIC-IUCAKERBSA-N 0 0 169.268 2.333 10 30 AEEERN C=CC[C@H]1CCC[C@]1(C#N)OC(C)=O 238079148 572920964 /nfs/dbraw/zinc/92/09/64/572920964.db2.gz TWPLNAUVJPGVBF-WDEREUQCSA-N 0 0 193.246 2.188 10 30 AEEERN CCC[C@H](C#N)[C@H](O)c1ccncc1 86326860 572920976 /nfs/dbraw/zinc/92/09/76/572920976.db2.gz CBWLHZALRCHECQ-GHMZBOCLSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@H](C#N)[C@H](O)c1cccnc1 86326956 572920994 /nfs/dbraw/zinc/92/09/94/572920994.db2.gz BLBKQMZXCFRVNF-KOLCDFICSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)CCSC 86327626 572921056 /nfs/dbraw/zinc/92/10/56/572921056.db2.gz MRGZMUUBKYSLJU-DTWKUNHWSA-N 0 0 187.308 2.040 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)c1ccoc1 86327394 572921064 /nfs/dbraw/zinc/92/10/64/572921064.db2.gz NTYVUCURFPOGFD-WCBMZHEXSA-N 0 0 179.219 2.253 10 30 AEEERN CCC[C@H](C#N)[C@@](C)(O)C1CC1 86326562 572921082 /nfs/dbraw/zinc/92/10/82/572921082.db2.gz LLOXKYUIGGDZBK-ZJUUUORDSA-N 0 0 167.252 2.087 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)c1ccco1 86326847 572921135 /nfs/dbraw/zinc/92/11/35/572921135.db2.gz XYACZRVNTNBITQ-WPRPVWTQSA-N 0 0 179.219 2.253 10 30 AEEERN CSc1c(F)cccc1C#N 75927466 572921136 /nfs/dbraw/zinc/92/11/36/572921136.db2.gz FJNPINVWYYRCIN-UHFFFAOYSA-N 0 0 167.208 2.419 10 30 AEEERN CCC[C@H](C#N)[C@@](O)(CC)C1CC1 86327956 572921171 /nfs/dbraw/zinc/92/11/71/572921171.db2.gz FLBAQDCIHILNAT-GHMZBOCLSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)c1ccoc1 86327397 572921178 /nfs/dbraw/zinc/92/11/78/572921178.db2.gz NTYVUCURFPOGFD-PSASIEDQSA-N 0 0 179.219 2.253 10 30 AEEERN CCC[C@H](C#N)[C@H](O)[C@@H](C)CC 86327332 572921187 /nfs/dbraw/zinc/92/11/87/572921187.db2.gz AAJRKDHJMMPTFZ-IVZWLZJFSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)c1cccnc1 86326960 572921223 /nfs/dbraw/zinc/92/12/23/572921223.db2.gz BLBKQMZXCFRVNF-MWLCHTKSSA-N 0 0 190.246 2.055 10 30 AEEERN C=C(C)CCC[C@@](C)(O)C(C)=O 238081164 572921245 /nfs/dbraw/zinc/92/12/45/572921245.db2.gz AYPSREOSFLIXEX-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN CCC[C@@H](C#N)C(O)(CC)CC 86326538 572921263 /nfs/dbraw/zinc/92/12/63/572921263.db2.gz KSJHKYUPFJODLR-VIFPVBQESA-N 0 0 169.268 2.477 10 30 AEEERN CCCC[C@H](O)[C@@H](C#N)CCC 86327620 572921270 /nfs/dbraw/zinc/92/12/70/572921270.db2.gz JYGPCSZEKDOYRM-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN CCC[C@H](O)[C@H](C#N)CCC 86327541 572921273 /nfs/dbraw/zinc/92/12/73/572921273.db2.gz YBTQDZTZLQQYSL-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN C=CCOCc1cccc(CC=O)c1 238080420 572921317 /nfs/dbraw/zinc/92/13/17/572921317.db2.gz SBVWFRWMHLGMFU-UHFFFAOYSA-N 0 0 190.242 2.131 10 30 AEEERN CCC[C@H](O)[C@@H](C#N)CCC 86327544 572921351 /nfs/dbraw/zinc/92/13/51/572921351.db2.gz YBTQDZTZLQQYSL-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CCC[C@@H](C#N)[C@@](C)(O)C(C)C 86326548 572921353 /nfs/dbraw/zinc/92/13/53/572921353.db2.gz HKBRBCYEGFKSMC-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@H](C#N)[C@@](C)(O)C(C)C 86326550 572921379 /nfs/dbraw/zinc/92/13/79/572921379.db2.gz HKBRBCYEGFKSMC-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)c1cccnc1 86326951 572921439 /nfs/dbraw/zinc/92/14/39/572921439.db2.gz BLBKQMZXCFRVNF-ONGXEEELSA-N 0 0 190.246 2.055 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)c1ccncc1 86326864 572921462 /nfs/dbraw/zinc/92/14/62/572921462.db2.gz CBWLHZALRCHECQ-MNOVXSKESA-N 0 0 190.246 2.055 10 30 AEEERN CC(=O)O[C@](C)(C=O)CCC=C(C)C 238078666 572921498 /nfs/dbraw/zinc/92/14/98/572921498.db2.gz HSSDXWDYYRJOQG-NSHDSACASA-N 0 0 198.262 2.254 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)C(C)(C)C 86327683 572921523 /nfs/dbraw/zinc/92/15/23/572921523.db2.gz IGDQWIURYMZHIC-RKDXNWHRSA-N 0 0 169.268 2.333 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)[C@@H](C)CC 86327339 572921534 /nfs/dbraw/zinc/92/15/34/572921534.db2.gz AAJRKDHJMMPTFZ-AEJSXWLSSA-N 0 0 169.268 2.333 10 30 AEEERN C=C(C)C[C@@H]1[C@@H](CO)C1(C)C 207451916 572921545 /nfs/dbraw/zinc/92/15/45/572921545.db2.gz SOVZYPCUJWQTRI-RKDXNWHRSA-N 0 0 154.253 2.217 10 30 AEEERN CCCC[C@@H](O)[C@H](C#N)CCC 86327618 572921616 /nfs/dbraw/zinc/92/16/16/572921616.db2.gz JYGPCSZEKDOYRM-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN CC(=O)c1ccc2[nH]cc(CC#N)c2c1 238070739 572921668 /nfs/dbraw/zinc/92/16/68/572921668.db2.gz XQSZKQXHPNIRPE-UHFFFAOYSA-N 0 0 198.225 2.437 10 30 AEEERN C=C(C)C(C)(C)[C@H](O)CCCCO 238069893 572921695 /nfs/dbraw/zinc/92/16/95/572921695.db2.gz UEBYOQDLIPHONB-SNVBAGLBSA-N 0 0 186.295 2.112 10 30 AEEERN COc1ccc(C#N)c(SC)c1F 75927493 572921702 /nfs/dbraw/zinc/92/17/02/572921702.db2.gz IVWSLXCZEMHJBR-UHFFFAOYSA-N 0 0 197.234 2.428 10 30 AEEERN CC(C)(C#N)c1cccc(C=O)c1F 75927002 572921750 /nfs/dbraw/zinc/92/17/50/572921750.db2.gz LAIITSAQNPYRTE-UHFFFAOYSA-N 0 0 191.205 2.439 10 30 AEEERN O=C1CC2(CCCCC2)CC1=O 196703967 572921836 /nfs/dbraw/zinc/92/18/36/572921836.db2.gz UVSXYAIUCRNYIK-UHFFFAOYSA-N 0 0 166.220 2.352 10 30 AEEERN CC(C)([NH3+])c1c(F)ccc(F)c1C#N 75927564 572922024 /nfs/dbraw/zinc/92/20/24/572922024.db2.gz SOZAYVAFCYZPIE-UHFFFAOYSA-N 0 0 196.200 2.030 10 30 AEEERN C=CCNC1=C(CC=C)C(=O)CCC1 238071621 572922162 /nfs/dbraw/zinc/92/21/62/572922162.db2.gz WHYVQKBBDNGIJL-UHFFFAOYSA-N 0 0 191.274 2.345 10 30 AEEERN CC(=O)n1c(C)c(C#N)c2ccccc21 238080291 572922170 /nfs/dbraw/zinc/92/21/70/572922170.db2.gz ABAXYEROGLWHCY-UHFFFAOYSA-N 0 0 198.225 2.482 10 30 AEEERN C=CCOCC1(C=O)CCCCC1 238079773 572922389 /nfs/dbraw/zinc/92/23/89/572922389.db2.gz DIWHSPAPSVQDLP-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN CCC[C@](C#N)(NC(C)C)C1CC1 308190287 572922404 /nfs/dbraw/zinc/92/24/04/572922404.db2.gz NCVKAJGZTMMINU-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CCCCCOCCO[C@H](C)C#N 308192835 572922495 /nfs/dbraw/zinc/92/24/95/572922495.db2.gz OWXQZGOZOBOEFH-SNVBAGLBSA-N 0 0 185.267 2.122 10 30 AEEERN CC(C)([NH3+])c1c(C#N)ccc(F)c1F 75927570 572922573 /nfs/dbraw/zinc/92/25/73/572922573.db2.gz MTPZDJCVXGXLTB-UHFFFAOYSA-N 0 0 196.200 2.030 10 30 AEEERN CC(=O)CCC1=CC(=O)CCC1 196701705 572922635 /nfs/dbraw/zinc/92/26/35/572922635.db2.gz ZBCMIYJESBJOQT-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CC(C)([NH3+])c1c(F)ccc(C#N)c1F 75927561 572922680 /nfs/dbraw/zinc/92/26/80/572922680.db2.gz HCMUGFUPUVGELI-UHFFFAOYSA-N 0 0 196.200 2.030 10 30 AEEERN N#CC1(c2cccc(C=O)c2F)CC1 75927000 572922701 /nfs/dbraw/zinc/92/27/01/572922701.db2.gz FVBSQGKHVQWYGM-UHFFFAOYSA-N 0 0 189.189 2.193 10 30 AEEERN CC(C)([NH3+])c1c(F)cc(F)cc1C#N 75927574 572922758 /nfs/dbraw/zinc/92/27/58/572922758.db2.gz PRHVCPCELGGIEW-UHFFFAOYSA-N 0 0 196.200 2.030 10 30 AEEERN C=C(SC)[C@@H](O)CC(C)C 196708277 572922953 /nfs/dbraw/zinc/92/29/53/572922953.db2.gz YNRBDYVQDSHIHT-QMMMGPOBSA-N 0 0 160.282 2.270 10 30 AEEERN C=C(C)CCC[C@@]1(C)O[C@H]1C=O 238081274 572923028 /nfs/dbraw/zinc/92/30/28/572923028.db2.gz FZYJEGDVGZRAFL-VHSXEESVSA-N 0 0 168.236 2.089 10 30 AEEERN C=C(SC)[C@H](O)CC(C)C 196708286 572923037 /nfs/dbraw/zinc/92/30/37/572923037.db2.gz YNRBDYVQDSHIHT-MRVPVSSYSA-N 0 0 160.282 2.270 10 30 AEEERN C=C(C)CCC[C@@]1(C)O[C@@H]1C=O 238081247 572923041 /nfs/dbraw/zinc/92/30/41/572923041.db2.gz FZYJEGDVGZRAFL-NXEZZACHSA-N 0 0 168.236 2.089 10 30 AEEERN C=C(C)CCC[C@@](C)(O)CC=O 238081207 572923088 /nfs/dbraw/zinc/92/30/88/572923088.db2.gz WNUWPSASHCEEIW-SNVBAGLBSA-N 0 0 170.252 2.073 10 30 AEEERN CCCCCC[C@H]1[C@@H]2O[C@@H]2C[C@H]1O 308194521 572923377 /nfs/dbraw/zinc/92/33/77/572923377.db2.gz LPZZZAHSUZHDOS-DBIOUOCHSA-N 0 0 184.279 2.105 10 30 AEEERN C=C(C)CC[C@@H]([NH3+])c1coc(C)n1 308194696 572923672 /nfs/dbraw/zinc/92/36/72/572923672.db2.gz PZXAGRNMWRWLLO-SECBINFHSA-N 0 0 180.251 2.339 10 30 AEEERN C=C1[C@H]2CCC(=O)[C@H]2C[C@H]1C 141114179 572923495 /nfs/dbraw/zinc/92/34/95/572923495.db2.gz VMLAMFFTZGAIAT-VDAHYXPESA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)CC[C@H]([NH3+])c1coc(C)n1 308194697 572923783 /nfs/dbraw/zinc/92/37/83/572923783.db2.gz PZXAGRNMWRWLLO-VIFPVBQESA-N 0 0 180.251 2.339 10 30 AEEERN CCOC([O-])=C([N+]#N)C(=O)CC(C)C 527123259 572923908 /nfs/dbraw/zinc/92/39/08/572923908.db2.gz LSBCMWBHNUCNEQ-UHFFFAOYSA-O 0 0 199.230 2.218 10 30 AEEERN COc1ccc([C@H](C)C#N)cc1C=O 141205503 572924478 /nfs/dbraw/zinc/92/44/78/572924478.db2.gz HNLSQFCBCQUMQU-MRVPVSSYSA-N 0 0 189.214 2.135 10 30 AEEERN N#CCOc1ccc2ccoc2c1 141150036 572924657 /nfs/dbraw/zinc/92/46/57/572924657.db2.gz GPJPAAAKASBTEX-UHFFFAOYSA-N 0 0 173.171 2.335 10 30 AEEERN N#CCCn1cnc2cc(F)ccc21 75935161 572924703 /nfs/dbraw/zinc/92/47/03/572924703.db2.gz PXCAQIRVDVXUCW-UHFFFAOYSA-N 0 0 189.193 2.089 10 30 AEEERN C=C(C)CC[C@@H](O)C#COC(C)(C)C 238083732 572924777 /nfs/dbraw/zinc/92/47/77/572924777.db2.gz PWMBZBUOPMFLPX-LLVKDONJSA-N 0 0 196.290 2.480 10 30 AEEERN C=C[C@H]1C[C@@]1(C)Cl 141220049 572924873 /nfs/dbraw/zinc/92/48/73/572924873.db2.gz LDHWLKBGHJYYIH-NTSWFWBYSA-N 0 0 116.591 2.190 10 30 AEEERN CCCCCC[C@@H]1[C@H](O)C[C@@H]2O[C@@H]21 308194520 572924991 /nfs/dbraw/zinc/92/49/91/572924991.db2.gz LPZZZAHSUZHDOS-CHWFTXMASA-N 0 0 184.279 2.105 10 30 AEEERN C=C[C@@H]1C[C@@]1(C)Cl 141220396 572925034 /nfs/dbraw/zinc/92/50/34/572925034.db2.gz LDHWLKBGHJYYIH-PHDIDXHHSA-N 0 0 116.591 2.190 10 30 AEEERN CC(C)(O)CCCCCS 141138851 572925447 /nfs/dbraw/zinc/92/54/47/572925447.db2.gz PGUNPGVDWWKQOH-UHFFFAOYSA-N 0 0 162.298 2.248 10 30 AEEERN C=CC[C@@H]1C=CNC(=O)[C@@H]1CC=C 238086084 572925099 /nfs/dbraw/zinc/92/50/99/572925099.db2.gz NTECSDBTSXBLMJ-NXEZZACHSA-N 0 0 177.247 2.015 10 30 AEEERN COc1ccc(C)cc1CCC#N 50707321 572925122 /nfs/dbraw/zinc/92/51/22/572925122.db2.gz KHLSIWFRHGCPDO-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN N#CCCn1cnc2ccc(F)cc21 75935160 572925277 /nfs/dbraw/zinc/92/52/77/572925277.db2.gz CROSARUJIYMLGB-UHFFFAOYSA-N 0 0 189.193 2.089 10 30 AEEERN C=CC[C@@H]1C(=O)NC=C[C@H]1CC=C 238086111 572925283 /nfs/dbraw/zinc/92/52/83/572925283.db2.gz NTECSDBTSXBLMJ-ZJUUUORDSA-N 0 0 177.247 2.015 10 30 AEEERN COc1ccc([C@@H](C)C#N)cc1C=O 141205295 572925309 /nfs/dbraw/zinc/92/53/09/572925309.db2.gz HNLSQFCBCQUMQU-QMMMGPOBSA-N 0 0 189.214 2.135 10 30 AEEERN C=C1CC(C)(C)C1 141190645 572925379 /nfs/dbraw/zinc/92/53/79/572925379.db2.gz LOXZDORWTZRVFC-UHFFFAOYSA-N 0 0 96.173 2.363 10 30 AEEERN CC(N)=[NH+][N-]c1ccccc1Cl 141181950 572925416 /nfs/dbraw/zinc/92/54/16/572925416.db2.gz MCXQAJQVNDZEJP-UHFFFAOYSA-N 0 0 183.642 2.044 10 30 AEEERN C=C(C)Cc1cc(O)ccc1O 141151788 572925739 /nfs/dbraw/zinc/92/57/39/572925739.db2.gz IMEYAEXXHHSQGB-UHFFFAOYSA-N 0 0 164.204 2.216 10 30 AEEERN CCCN(CCC(C)(C)C#N)OC 308191099 572925753 /nfs/dbraw/zinc/92/57/53/572925753.db2.gz NXZGMUGMMCFXOP-UHFFFAOYSA-N 0 0 184.283 2.200 10 30 AEEERN C=C[C@@H]1C[C@]1(C)Cl 141220228 572925765 /nfs/dbraw/zinc/92/57/65/572925765.db2.gz LDHWLKBGHJYYIH-RITPCOANSA-N 0 0 116.591 2.190 10 30 AEEERN CC(=O)C1=Cc2scnc2CC1 141102846 572925791 /nfs/dbraw/zinc/92/57/91/572925791.db2.gz MWKFJWAMZFURNH-UHFFFAOYSA-N 0 0 179.244 2.062 10 30 AEEERN C=C(C)CC[C@H](O)C#COC(C)(C)C 238085403 572925804 /nfs/dbraw/zinc/92/58/04/572925804.db2.gz PWMBZBUOPMFLPX-NSHDSACASA-N 0 0 196.290 2.480 10 30 AEEERN O=C1C(=CO)Sc2ccccc21 141113607 572925829 /nfs/dbraw/zinc/92/58/29/572925829.db2.gz WCKOEGSNTZMYET-VMPITWQZSA-N 0 0 178.212 2.374 10 30 AEEERN FC(F)C1CC(=NNCC2CC2)C1 308194830 572925838 /nfs/dbraw/zinc/92/58/38/572925838.db2.gz RKISNKBWDNYBKP-UHFFFAOYSA-N 0 0 188.221 2.017 10 30 AEEERN C#CCCCCCC(=O)OC1CC1 308194858 572925874 /nfs/dbraw/zinc/92/58/74/572925874.db2.gz RMNYCZGNLNKFPC-UHFFFAOYSA-N 0 0 180.247 2.276 10 30 AEEERN C=CC[C@H]1CCC[C@H](CC=O)O1 238094685 572926170 /nfs/dbraw/zinc/92/61/70/572926170.db2.gz WJKNQBZMTZEQBS-VHSXEESVSA-N 0 0 168.236 2.089 10 30 AEEERN Cc1cc(C#N)cc(N2CC3(CC3)C2)c1 308191199 572926196 /nfs/dbraw/zinc/92/61/96/572926196.db2.gz JPSSLSOSMBROSB-UHFFFAOYSA-N 0 0 198.269 2.467 10 30 AEEERN C=C1C[C@@H]2CCC[C@H]12 116727548 572926226 /nfs/dbraw/zinc/92/62/26/572926226.db2.gz MTCUBGKVGNAIDX-JGVFFNPUSA-N 0 0 108.184 2.363 10 30 AEEERN C=C[C@H](C)OCCC(C)(C)OC 116753990 572926293 /nfs/dbraw/zinc/92/62/93/572926293.db2.gz CTEQCXPKFCBRQG-VIFPVBQESA-N 0 0 172.268 2.393 10 30 AEEERN C=CC[C@@H]1CCC[C@H](CC=O)O1 238087441 572926318 /nfs/dbraw/zinc/92/63/18/572926318.db2.gz WJKNQBZMTZEQBS-NXEZZACHSA-N 0 0 168.236 2.089 10 30 AEEERN C=C[C@@]1(C=O)CCC=C(C)C1 141238791 572926937 /nfs/dbraw/zinc/92/69/37/572926937.db2.gz LTSTZDGSNJVQKU-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCc1c(O)cc(C)c(O)c1C 141224295 572926355 /nfs/dbraw/zinc/92/63/55/572926355.db2.gz YITLYAXYRBBINB-UHFFFAOYSA-N 0 0 178.231 2.443 10 30 AEEERN C=CC[C@@H]1CCC[C@@H](CC=O)O1 238087326 572926497 /nfs/dbraw/zinc/92/64/97/572926497.db2.gz WJKNQBZMTZEQBS-ZJUUUORDSA-N 0 0 168.236 2.089 10 30 AEEERN CCC#Cc1cccc(OC)c1 141271123 572926517 /nfs/dbraw/zinc/92/65/17/572926517.db2.gz JZGRJYOJHZGKND-UHFFFAOYSA-N 0 0 160.216 2.457 10 30 AEEERN CC(=O)CCCC1=CC(=O)CC1 238094975 572926596 /nfs/dbraw/zinc/92/65/96/572926596.db2.gz QIXOBKAUGPBQCD-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN C=C[C@]1(C=O)CCC=C(C)C1 141238976 572926763 /nfs/dbraw/zinc/92/67/63/572926763.db2.gz LTSTZDGSNJVQKU-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN COc1cc(N)ccc1C(C)(C)C#N 141221649 572926817 /nfs/dbraw/zinc/92/68/17/572926817.db2.gz UGHWUQQQXZUHNA-UHFFFAOYSA-N 0 0 190.246 2.079 10 30 AEEERN Cc1nc2ccc(F)cc2n1CC#N 75972663 572926913 /nfs/dbraw/zinc/92/69/13/572926913.db2.gz ACEYZQFWUCUWMJ-UHFFFAOYSA-N 0 0 189.193 2.007 10 30 AEEERN C#CCCOC(=O)c1occc1Cl 308199286 572926918 /nfs/dbraw/zinc/92/69/18/572926918.db2.gz WKNWKCOXEJQMRO-UHFFFAOYSA-N 0 0 198.605 2.113 10 30 AEEERN C=CCCC#C[C@H](O)CC(=C)C 238094794 572927215 /nfs/dbraw/zinc/92/72/15/572927215.db2.gz VWVCKZLRKQCSJA-NSHDSACASA-N 0 0 164.248 2.283 10 30 AEEERN CC(=O)O[C@H]1CCC[C@@]1(C)CCC=O 238094682 572927498 /nfs/dbraw/zinc/92/74/98/572927498.db2.gz PXQLHGIKVVRAOK-QWRGUYRKSA-N 0 0 198.262 2.087 10 30 AEEERN COC1=C(C)C(=O)C(C)(C)CC1 141160311 572927548 /nfs/dbraw/zinc/92/75/48/572927548.db2.gz PZLWKWMMAVNBTM-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=CCc1c(O)ccc2c1CCC2=O 141160592 572927551 /nfs/dbraw/zinc/92/75/51/572927551.db2.gz KMRVRUJQYTVJMR-UHFFFAOYSA-N 0 0 188.226 2.250 10 30 AEEERN Cc1nc2cc(F)ccc2n1CC#N 75972664 572927758 /nfs/dbraw/zinc/92/77/58/572927758.db2.gz WGEUFSDGAVTKIX-UHFFFAOYSA-N 0 0 189.193 2.007 10 30 AEEERN C=CCOCCC(C)(C)OC 116752742 572927818 /nfs/dbraw/zinc/92/78/18/572927818.db2.gz UXBKPHASQDLUKP-UHFFFAOYSA-N 0 0 158.241 2.004 10 30 AEEERN C=C[C@@H](C)OCCC(C)(C)OC 116753992 572927851 /nfs/dbraw/zinc/92/78/51/572927851.db2.gz CTEQCXPKFCBRQG-SECBINFHSA-N 0 0 172.268 2.393 10 30 AEEERN C#CCCC(=O)OCCCCCF 308201499 572927873 /nfs/dbraw/zinc/92/78/73/572927873.db2.gz YQAIASFCVHWQLY-UHFFFAOYSA-N 0 0 186.226 2.083 10 30 AEEERN C=CC[C@@H]1CC[C@@H](CC=C)C(=O)N1 238087608 572928058 /nfs/dbraw/zinc/92/80/58/572928058.db2.gz PPIGISJRIBMVBT-NXEZZACHSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@@]1(C=O)CC=C(C)CC1 141224483 572928072 /nfs/dbraw/zinc/92/80/72/572928072.db2.gz IMUMRIXLOYBAMK-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN N#CCc1nc2ccccc2n1C1CC1 75973564 572928115 /nfs/dbraw/zinc/92/81/15/572928115.db2.gz GVOFCLCLBXEHDL-UHFFFAOYSA-N 0 0 197.241 2.437 10 30 AEEERN C=CC[C@H]1CC[C@H](CC=C)C(=O)N1 238094937 572928116 /nfs/dbraw/zinc/92/81/16/572928116.db2.gz PPIGISJRIBMVBT-UWVGGRQHSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC[C@@H]1CC[C@H](CC=C)C(=O)N1 238087797 572928124 /nfs/dbraw/zinc/92/81/24/572928124.db2.gz PPIGISJRIBMVBT-VHSXEESVSA-N 0 0 179.263 2.033 10 30 AEEERN Cc1nc2cccc(F)c2n1CC#N 75972662 572928151 /nfs/dbraw/zinc/92/81/51/572928151.db2.gz JWLFWPJWEHZKNS-UHFFFAOYSA-N 0 0 189.193 2.007 10 30 AEEERN C=CC[C@H]1C=CNC(=O)[C@@H]1CC=C 238093817 572928655 /nfs/dbraw/zinc/92/86/55/572928655.db2.gz NTECSDBTSXBLMJ-VHSXEESVSA-N 0 0 177.247 2.015 10 30 AEEERN C=CC[C@H]1C=CNC(=O)[C@H]1CC=C 238093840 572928776 /nfs/dbraw/zinc/92/87/76/572928776.db2.gz NTECSDBTSXBLMJ-UWVGGRQHSA-N 0 0 177.247 2.015 10 30 AEEERN C=CC[C@H]1C=C(c2ccccc2)C(=O)N1 238090840 572928736 /nfs/dbraw/zinc/92/87/36/572928736.db2.gz AOWXYWFPRLDUMB-NSHDSACASA-N 0 0 199.253 2.145 10 30 AEEERN C#C[C@H](O)C(C)(C)C#Cc1ccccc1 238090533 572928741 /nfs/dbraw/zinc/92/87/41/572928741.db2.gz TWPXBVZVVZCXEU-ZDUSSCGKSA-N 0 0 198.265 2.058 10 30 AEEERN C=C(C)COCC(C)(C)C(C)=O 238090143 572928795 /nfs/dbraw/zinc/92/87/95/572928795.db2.gz NXXQEQYIQFOCAJ-UHFFFAOYSA-N 0 0 170.252 2.194 10 30 AEEERN C=C(C)COC(=O)c1cccc(N)c1 238089684 572929041 /nfs/dbraw/zinc/92/90/41/572929041.db2.gz OMRILHUDMOAJDE-UHFFFAOYSA-N 0 0 191.230 2.002 10 30 AEEERN CC(=O)CCC1(C=O)CCCC1 238093364 572929098 /nfs/dbraw/zinc/92/90/98/572929098.db2.gz VHGIXYPKWITCSB-UHFFFAOYSA-N 0 0 168.236 2.115 10 30 AEEERN CC(=O)Nc1ccccc1C#CC1CC1 238093263 572929118 /nfs/dbraw/zinc/92/91/18/572929118.db2.gz DWHFCHHAKXBLJN-UHFFFAOYSA-N 0 0 199.253 2.407 10 30 AEEERN C[C@@](O)(CCC=O)C1CCCCC1 308201029 572929171 /nfs/dbraw/zinc/92/91/71/572929171.db2.gz VEUKYILOEOCVNE-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN C=C(CCCCCO)CCC(C)=O 238090854 572929214 /nfs/dbraw/zinc/92/92/14/572929214.db2.gz SQICJVAEFNFQSK-UHFFFAOYSA-N 0 0 184.279 2.465 10 30 AEEERN C#C[C@@H](O)C(C)(C)C#Cc1ccccc1 238090565 572929232 /nfs/dbraw/zinc/92/92/32/572929232.db2.gz TWPXBVZVVZCXEU-CYBMUJFWSA-N 0 0 198.265 2.058 10 30 AEEERN N#CCCCSCc1ncccn1 308200892 572929354 /nfs/dbraw/zinc/92/93/54/572929354.db2.gz YDOPXPHCVLWZSJ-UHFFFAOYSA-N 0 0 193.275 2.014 10 30 AEEERN C=C(C)CSCCCCCO 238092190 572929440 /nfs/dbraw/zinc/92/94/40/572929440.db2.gz FZISMARITJEXGH-UHFFFAOYSA-N 0 0 174.309 2.458 10 30 AEEERN C=C(CCC(C)=O)Cn1cccc1 238090936 572929449 /nfs/dbraw/zinc/92/94/49/572929449.db2.gz COZPCMFBCFZCPR-UHFFFAOYSA-N 0 0 177.247 2.414 10 30 AEEERN CC(=O)CCC(=O)C1=CCCC1 238091082 572929478 /nfs/dbraw/zinc/92/94/78/572929478.db2.gz JYPKRPIDFUGTNB-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CC(=O)CCC(C)(C)CCC=O 238092553 572929482 /nfs/dbraw/zinc/92/94/82/572929482.db2.gz XVJHCYCFPWGISU-UHFFFAOYSA-N 0 0 170.252 2.361 10 30 AEEERN C=C(C)C[C@@H](CO)c1ccco1 238093610 572929572 /nfs/dbraw/zinc/92/95/72/572929572.db2.gz OGQWPNGCYSIKBS-VIFPVBQESA-N 0 0 166.220 2.322 10 30 AEEERN C#Cc1ccnn1CCCCCF 308200473 572929767 /nfs/dbraw/zinc/92/97/67/572929767.db2.gz XQYMAPRJAUXMGM-UHFFFAOYSA-N 0 0 180.226 2.004 10 30 AEEERN C[C@@H](CCO)SCC(C)(C)C#N 405134236 572929631 /nfs/dbraw/zinc/92/96/31/572929631.db2.gz ABIMSQMLYURWNV-QMMMGPOBSA-N 0 0 187.308 2.040 10 30 AEEERN CC(C)(S)/C=C/CCCCO 238097785 572930645 /nfs/dbraw/zinc/93/06/45/572930645.db2.gz ITOQPGFZQNWUBP-FNORWQNLSA-N 0 0 174.309 2.414 10 30 AEEERN C=C(Cl)C(C)(C)CCCC(N)=O 238097369 572930845 /nfs/dbraw/zinc/93/08/45/572930845.db2.gz OIARVAYKGJZOKK-UHFFFAOYSA-N 0 0 189.686 2.421 10 30 AEEERN Cc1nc(SCC[C@@H]2CO2)oc1C 308202939 572931148 /nfs/dbraw/zinc/93/11/48/572931148.db2.gz QZQDFRJHZHMFHG-MRVPVSSYSA-N 0 0 199.275 2.172 10 30 AEEERN CC(C)SCC[C@]1(C#N)CCOC1 308202576 572931223 /nfs/dbraw/zinc/93/12/23/572931223.db2.gz WLNVVHYTYANYRD-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN C=CCSc1cncc(NCC)n1 308202572 572931299 /nfs/dbraw/zinc/93/12/99/572931299.db2.gz WKZFGNDQQLUNNW-UHFFFAOYSA-N 0 0 195.291 2.187 10 30 AEEERN Cc1ccccc1OCC[C@H]1CO1 308203296 572931489 /nfs/dbraw/zinc/93/14/89/572931489.db2.gz RFHIVBPEYVYTDY-JTQLQIEISA-N 0 0 178.231 2.163 10 30 AEEERN C=CCCC#C[C@@H](O)CC(=C)C 238101832 572931637 /nfs/dbraw/zinc/93/16/37/572931637.db2.gz VWVCKZLRKQCSJA-LLVKDONJSA-N 0 0 164.248 2.283 10 30 AEEERN C=CO[C@H]1CCCO[C@H]1CCCC=O 238104185 572931753 /nfs/dbraw/zinc/93/17/53/572931753.db2.gz YXZYOENSANZJJM-QWRGUYRKSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H]1C[C@@H](O)[C@@H](CCCCC)O1 308203350 572932033 /nfs/dbraw/zinc/93/20/33/572932033.db2.gz RFOMUMVKHAHKIL-GMTAPVOTSA-N 0 0 184.279 2.271 10 30 AEEERN C=C(C)C[C@H](O)c1ccccc1C=O 238102826 572932095 /nfs/dbraw/zinc/93/20/95/572932095.db2.gz AHFKMUTUQNXFHK-LBPRGKRZSA-N 0 0 190.242 2.499 10 30 AEEERN Cc1nc(SCC[C@H]2CO2)oc1C 308202943 572932110 /nfs/dbraw/zinc/93/21/10/572932110.db2.gz QZQDFRJHZHMFHG-QMMMGPOBSA-N 0 0 199.275 2.172 10 30 AEEERN CC[C@@H](O)C#CCCc1ccccc1 207482268 572932184 /nfs/dbraw/zinc/93/21/84/572932184.db2.gz FZPMZHBDLVNMNZ-CYBMUJFWSA-N 0 0 188.270 2.394 10 30 AEEERN C=C[C@@H]1C[C@H](O)[C@H](CCCCC)O1 308203364 572932238 /nfs/dbraw/zinc/93/22/38/572932238.db2.gz RFOMUMVKHAHKIL-VWYCJHECSA-N 0 0 184.279 2.271 10 30 AEEERN C=C(C)C[C@H](O)c1ccc(CO)cc1 238102734 572932310 /nfs/dbraw/zinc/93/23/10/572932310.db2.gz OMVFNKNIVRJGDE-LBPRGKRZSA-N 0 0 192.258 2.179 10 30 AEEERN CC(=O)CC[C@H]1[C@@H](CC=O)C1(C)C 238105925 572932473 /nfs/dbraw/zinc/93/24/73/572932473.db2.gz HZOGURUHKIAPJW-VHSXEESVSA-N 0 0 182.263 2.217 10 30 AEEERN C=C(C)C[C@H](CO)c1ccco1 238100981 572932544 /nfs/dbraw/zinc/93/25/44/572932544.db2.gz OGQWPNGCYSIKBS-SECBINFHSA-N 0 0 166.220 2.322 10 30 AEEERN C=CO[C@@H]1CCCO[C@@H]1CCCC=O 238103828 572932568 /nfs/dbraw/zinc/93/25/68/572932568.db2.gz YXZYOENSANZJJM-GHMZBOCLSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](CCC=O)O[C@H]1CCCCO1 238105447 572932571 /nfs/dbraw/zinc/93/25/71/572932571.db2.gz HTCIUQZNGYLINF-QWRGUYRKSA-N 0 0 198.262 2.063 10 30 AEEERN C#C[C@@](C)(CCCO)C(C)(C)C 238105345 572932655 /nfs/dbraw/zinc/93/26/55/572932655.db2.gz ANDIWBXFMFKYDK-NSHDSACASA-N 0 0 168.280 2.445 10 30 AEEERN CCC[C@](O)(C1CC1)[C@H](C#N)CC 308204404 572932782 /nfs/dbraw/zinc/93/27/82/572932782.db2.gz XMZDMLYAVLMRFH-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN N#Cc1cccn1CCCCCF 308203908 572932788 /nfs/dbraw/zinc/93/27/88/572932788.db2.gz XIBDVCXQRODHHA-UHFFFAOYSA-N 0 0 180.226 2.500 10 30 AEEERN CC/C=C\C/C=C\C[C@H](O)[C@@H]1CO1 308204108 572932884 /nfs/dbraw/zinc/93/28/84/572932884.db2.gz RREDSSKUORNFSX-VVTHOALKSA-N 0 0 182.263 2.049 10 30 AEEERN C=C[C@@H](CCC=O)O[C@@H]1CCCCO1 238105417 572932886 /nfs/dbraw/zinc/93/28/86/572932886.db2.gz HTCIUQZNGYLINF-WDEREUQCSA-N 0 0 198.262 2.063 10 30 AEEERN CC(C)C[C@H](C)[C@@H]1CC[C@H](C=O)O1 308204098 572932896 /nfs/dbraw/zinc/93/28/96/572932896.db2.gz RRCLTGGKMASTRG-AXFHLTTASA-N 0 0 184.279 2.415 10 30 AEEERN CC(=O)CC[C@@H]1[C@H](CC=O)C1(C)C 238103529 572932923 /nfs/dbraw/zinc/93/29/23/572932923.db2.gz HZOGURUHKIAPJW-ZJUUUORDSA-N 0 0 182.263 2.217 10 30 AEEERN C=CO[C@@H]1CCCO[C@H]1CCCC=O 238103920 572932945 /nfs/dbraw/zinc/93/29/45/572932945.db2.gz YXZYOENSANZJJM-MNOVXSKESA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)C[C@H](O)Cc1ccco1 238102304 572933165 /nfs/dbraw/zinc/93/31/65/572933165.db2.gz JBHHPCYXRCYEGP-VIFPVBQESA-N 0 0 166.220 2.149 10 30 AEEERN C=C(C)[C@H](OC(C)C)[C@H](O)C(=C)C 308204560 572933254 /nfs/dbraw/zinc/93/32/54/572933254.db2.gz GYGZAYNVYWEMPA-MNOVXSKESA-N 0 0 184.279 2.293 10 30 AEEERN C=CO[C@H](C=O)c1ccccc1 238103954 572933785 /nfs/dbraw/zinc/93/37/85/572933785.db2.gz TZCJERHCOZRSGH-SNVBAGLBSA-N 0 0 162.188 2.087 10 30 AEEERN CC(=O)CC[C@@H]1[C@@H](CC=O)C1(C)C 238103398 572933510 /nfs/dbraw/zinc/93/35/10/572933510.db2.gz HZOGURUHKIAPJW-NXEZZACHSA-N 0 0 182.263 2.217 10 30 AEEERN C/C(CCCC(=O)[O-])=[NH+]/CC(C)C 238101498 572933634 /nfs/dbraw/zinc/93/36/34/572933634.db2.gz YHCRQEKUNUUUQL-LUAWRHEFSA-N 0 0 185.267 2.358 10 30 AEEERN C=CO[C@H]1CCCO[C@@H]1CCCC=O 238104095 572933757 /nfs/dbraw/zinc/93/37/57/572933757.db2.gz YXZYOENSANZJJM-WDEREUQCSA-N 0 0 198.262 2.063 10 30 AEEERN CCC[C@@](O)(C1CC1)[C@H](C#N)CC 308204407 572933774 /nfs/dbraw/zinc/93/37/74/572933774.db2.gz XMZDMLYAVLMRFH-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@](O)(C1CC1)[C@@H](C#N)CC 308204406 572933958 /nfs/dbraw/zinc/93/39/58/572933958.db2.gz XMZDMLYAVLMRFH-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCSc1ccc([C@@H](C)O)nc1 308203884 572933961 /nfs/dbraw/zinc/93/39/61/572933961.db2.gz XGMPNYZERPVODH-MRVPVSSYSA-N 0 0 195.287 2.413 10 30 AEEERN CCC[C@@](O)(C1CC1)[C@@H](C#N)CC 308204405 572934099 /nfs/dbraw/zinc/93/40/99/572934099.db2.gz XMZDMLYAVLMRFH-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)C[C@H](C)[C@@H]1CC[C@@H](C=O)O1 308204099 572934196 /nfs/dbraw/zinc/93/41/96/572934196.db2.gz RRCLTGGKMASTRG-DCAQKATOSA-N 0 0 184.279 2.415 10 30 AEEERN c1csc(CCOCC[C@H]2CO2)c1 308205403 572934205 /nfs/dbraw/zinc/93/42/05/572934205.db2.gz SNHWFXKCYMNMDD-VIFPVBQESA-N 0 0 198.287 2.096 10 30 AEEERN C=CCN(CC=C)C(=S)CC 116786479 572934256 /nfs/dbraw/zinc/93/42/56/572934256.db2.gz SKIRXBVDZUKRQE-UHFFFAOYSA-N 0 0 169.293 2.398 10 30 AEEERN CC(C)CC[C@@](O)(CC=O)C1CC1 308204432 572934281 /nfs/dbraw/zinc/93/42/81/572934281.db2.gz XOEWAATVPLOMDR-LLVKDONJSA-N 0 0 184.279 2.153 10 30 AEEERN c1csc(CCOCC[C@@H]2CO2)c1 308205402 572934386 /nfs/dbraw/zinc/93/43/86/572934386.db2.gz SNHWFXKCYMNMDD-SECBINFHSA-N 0 0 198.287 2.096 10 30 AEEERN C=C(C)C[C@H](O)C[C@@H](O)CC(=C)C 308204491 572934487 /nfs/dbraw/zinc/93/44/87/572934487.db2.gz RTJUTUUXAQHNFY-QWRGUYRKSA-N 0 0 184.279 2.031 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@H]1CCCCO 238121597 572934983 /nfs/dbraw/zinc/93/49/83/572934983.db2.gz FDDSLHNNXBTVBF-QWRGUYRKSA-N 0 0 196.290 2.320 10 30 AEEERN CC(=O)CC[C@@]1(C=O)CC=CCC1 238106470 572934894 /nfs/dbraw/zinc/93/48/94/572934894.db2.gz WGJIQYKMPHRJNU-LLVKDONJSA-N 0 0 180.247 2.281 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@@H]1CCCCO 238121370 572934937 /nfs/dbraw/zinc/93/49/37/572934937.db2.gz FDDSLHNNXBTVBF-WDEREUQCSA-N 0 0 196.290 2.320 10 30 AEEERN CC(C)(C)C#Cc1cnc2cccnn12 238118034 572935020 /nfs/dbraw/zinc/93/50/20/572935020.db2.gz PUOUSHOUGLYJJE-UHFFFAOYSA-N 0 0 199.257 2.127 10 30 AEEERN CC(C)[C@H](CO)/N=C/c1ccsc1 308206320 572935022 /nfs/dbraw/zinc/93/50/22/572935022.db2.gz ICRZETYXDVRACX-XXNJBDPSSA-N 0 0 197.303 2.184 10 30 AEEERN C/C=C/C(=O)CCC(C)(C)OC 234581495 572935140 /nfs/dbraw/zinc/93/51/40/572935140.db2.gz QAHUYFXFZXSNHY-AATRIKPKSA-N 0 0 170.252 2.337 10 30 AEEERN C=CC[C@@H]1CCC[C@@]1(C#N)OC(C)=O 238107747 572935197 /nfs/dbraw/zinc/93/51/97/572935197.db2.gz TWPLNAUVJPGVBF-MNOVXSKESA-N 0 0 193.246 2.188 10 30 AEEERN CC(=O)/C=C/C[C@@H](O)CCC(C)C 238123887 572935247 /nfs/dbraw/zinc/93/52/47/572935247.db2.gz YCQLSROPJOTSOZ-SGUJLRQBSA-N 0 0 184.279 2.319 10 30 AEEERN C=CC[C@H]1CCC[C@@]1(C#N)OC(C)=O 238107714 572935276 /nfs/dbraw/zinc/93/52/76/572935276.db2.gz TWPLNAUVJPGVBF-QWRGUYRKSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)(C=O)COC1CCCC1 238126313 572935286 /nfs/dbraw/zinc/93/52/86/572935286.db2.gz UHUNHBHNRSNMIQ-UHFFFAOYSA-N 0 0 170.252 2.171 10 30 AEEERN C=C[C@H](CCC=O)O[C@H]1CCCCO1 238119508 572935315 /nfs/dbraw/zinc/93/53/15/572935315.db2.gz HTCIUQZNGYLINF-MNOVXSKESA-N 0 0 198.262 2.063 10 30 AEEERN CC(=O)C[C@@H](C=O)Cc1ccccc1 238125476 572935326 /nfs/dbraw/zinc/93/53/26/572935326.db2.gz JRCURGBINRBTEM-GFCCVEGCSA-N 0 0 190.242 2.023 10 30 AEEERN C=C[C@H](CCC=O)O[C@@H]1CCCCO1 238119478 572935340 /nfs/dbraw/zinc/93/53/40/572935340.db2.gz HTCIUQZNGYLINF-GHMZBOCLSA-N 0 0 198.262 2.063 10 30 AEEERN CC(=O)CC[C@H]1[C@H](CC=O)C1(C)C 238106023 572935374 /nfs/dbraw/zinc/93/53/74/572935374.db2.gz HZOGURUHKIAPJW-UWVGGRQHSA-N 0 0 182.263 2.217 10 30 AEEERN C=C[C@H]1NC(=O)[C@H]1/C=C/c1ccccc1 238124499 572935571 /nfs/dbraw/zinc/93/55/71/572935571.db2.gz MCIUKWBGTYUENW-VDTGWRSZSA-N 0 0 199.253 2.000 10 30 AEEERN CC(C)[C@H](CO)/N=C\c1ccsc1 308206318 572935620 /nfs/dbraw/zinc/93/56/20/572935620.db2.gz ICRZETYXDVRACX-QIMWGGGBSA-N 0 0 197.303 2.184 10 30 AEEERN CC(C)(C)[C@](O)(CC=O)c1ccoc1 238107035 572935692 /nfs/dbraw/zinc/93/56/92/572935692.db2.gz WUHDCJPLPMUYEP-NSHDSACASA-N 0 0 196.246 2.102 10 30 AEEERN CC[C@H](C)N[C@H](C#N)C1(SC)CC1 308206666 572935748 /nfs/dbraw/zinc/93/57/48/572935748.db2.gz ZJIWJQLVPFFIMN-DTWKUNHWSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)[C@@H](CO)/N=C/c1ccsc1 308206319 572935809 /nfs/dbraw/zinc/93/58/09/572935809.db2.gz ICRZETYXDVRACX-QZULDAKNSA-N 0 0 197.303 2.184 10 30 AEEERN C#Cc1ccc2cc(C)c(C(C)=O)n2c1 238119350 572935938 /nfs/dbraw/zinc/93/59/38/572935938.db2.gz JXHPXSRYPQRMAI-UHFFFAOYSA-N 0 0 197.237 2.432 10 30 AEEERN CC(C)=CC(=O)C(=O)CC(C)C 238119535 572936002 /nfs/dbraw/zinc/93/60/02/572936002.db2.gz BBDKHYDXYAZRMV-UHFFFAOYSA-N 0 0 168.236 2.137 10 30 AEEERN CC(C)[C@@H](CO)/N=C\c1ccsc1 308206317 572936160 /nfs/dbraw/zinc/93/61/60/572936160.db2.gz ICRZETYXDVRACX-KMFOOYFMSA-N 0 0 197.303 2.184 10 30 AEEERN C=C[C@H]1CCC=CCCC1=O 238121058 572936205 /nfs/dbraw/zinc/93/62/05/572936205.db2.gz BWXODHAKLFNHHZ-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)C1(SC)CC1 308206664 572936380 /nfs/dbraw/zinc/93/63/80/572936380.db2.gz ZJIWJQLVPFFIMN-BDAKNGLRSA-N 0 0 198.335 2.162 10 30 AEEERN C=C[C@H](O)CCCOCC=C(C)C 308206555 572936811 /nfs/dbraw/zinc/93/68/11/572936811.db2.gz TZLKOQZQHXTVND-NSHDSACASA-N 0 0 184.279 2.296 10 30 AEEERN CC(C)NC(C#N)(C1CC1)C1CC1 308206608 572936816 /nfs/dbraw/zinc/93/68/16/572936816.db2.gz IJTZODFDBHNBHR-UHFFFAOYSA-N 0 0 178.279 2.067 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)C1(SC)CC1 308206668 572936873 /nfs/dbraw/zinc/93/68/73/572936873.db2.gz ZJIWJQLVPFFIMN-IUCAKERBSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)=C(CCC=O)[C@H]1CCC(=O)O1 238114397 572936942 /nfs/dbraw/zinc/93/69/42/572936942.db2.gz XXQKDCNAOLBUON-SNVBAGLBSA-N 0 0 196.246 2.008 10 30 AEEERN C=C(C)[C@@H](CCO)Oc1ccccc1 238112067 572937033 /nfs/dbraw/zinc/93/70/33/572937033.db2.gz UMPFIXKCXMMMOA-GFCCVEGCSA-N 0 0 192.258 2.393 10 30 AEEERN C=C(C)C(C[C@H]1O[C@H]1C=O)=C(C)C 238115616 572936985 /nfs/dbraw/zinc/93/69/85/572936985.db2.gz INBSHBMZBHOACJ-MNOVXSKESA-N 0 0 180.247 2.255 10 30 AEEERN C=CCC(=CC(C)=O)NC(C)(C)C 238113354 572937002 /nfs/dbraw/zinc/93/70/02/572937002.db2.gz CJJJOUYMUDNTSG-NTMALXAHSA-N 0 0 181.279 2.424 10 30 AEEERN C#CCCCC(C=O)=CCOC(C)=O 238110417 572937217 /nfs/dbraw/zinc/93/72/17/572937217.db2.gz LOAXDXJAUKIIOH-MFDVASPDSA-N 0 0 194.230 2.309 10 30 AEEERN C#CCCC(=O)O[C@@H]1C=CCCC1 308196470 572937480 /nfs/dbraw/zinc/93/74/80/572937480.db2.gz SPNNBAZRIBWIKV-SNVBAGLBSA-N 0 0 178.231 2.052 10 30 AEEERN C=C(C)[C@@H](CCO)c1cccc(O)c1 238112226 572937627 /nfs/dbraw/zinc/93/76/27/572937627.db2.gz PADKWRYKOFARHX-GFCCVEGCSA-N 0 0 192.258 2.434 10 30 AEEERN C=C(C)C(C[C@H]1O[C@@H]1C=O)=C(C)C 238115594 572937647 /nfs/dbraw/zinc/93/76/47/572937647.db2.gz INBSHBMZBHOACJ-GHMZBOCLSA-N 0 0 180.247 2.255 10 30 AEEERN C=C[C@H]1C(=O)N[C@H]1/C=C/c1ccccc1 238116201 572937676 /nfs/dbraw/zinc/93/76/76/572937676.db2.gz PZDBUXSELULTIH-DGTDAXKGSA-N 0 0 199.253 2.000 10 30 AEEERN CC(C)=C(CCC=O)[C@@H]1CCC(=O)O1 238114366 572938166 /nfs/dbraw/zinc/93/81/66/572938166.db2.gz XXQKDCNAOLBUON-JTQLQIEISA-N 0 0 196.246 2.008 10 30 AEEERN C=C[C@@H]1NC(=O)[C@@H]1/C=C/c1ccccc1 238111219 572937976 /nfs/dbraw/zinc/93/79/76/572937976.db2.gz MCIUKWBGTYUENW-DGTDAXKGSA-N 0 0 199.253 2.000 10 30 AEEERN C=C(C)[C@@H](CCO)c1cccnc1 238112267 572937991 /nfs/dbraw/zinc/93/79/91/572937991.db2.gz NYDDVOHXTPAMKV-LLVKDONJSA-N 0 0 177.247 2.124 10 30 AEEERN C=C(C)C(C[C@@H]1O[C@@H]1C=O)=C(C)C 238115500 572938000 /nfs/dbraw/zinc/93/80/00/572938000.db2.gz INBSHBMZBHOACJ-WDEREUQCSA-N 0 0 180.247 2.255 10 30 AEEERN C=C(CC)C[N@H+](CCOC)C1CC1 308196129 572938012 /nfs/dbraw/zinc/93/80/12/572938012.db2.gz RBHWDXZYMZZVMN-UHFFFAOYSA-N 0 0 183.295 2.063 10 30 AEEERN CC(C)(CO)C/N=C/c1ccccc1 238111116 572938094 /nfs/dbraw/zinc/93/80/94/572938094.db2.gz IEAFUIYDUWAVMS-MDWZMJQESA-N 0 0 191.274 2.124 10 30 AEEERN C=C1CCCN(C(=O)/C=C\CC)C1 308195265 572938097 /nfs/dbraw/zinc/93/80/97/572938097.db2.gz QPJWZNJBCBXDSW-DAXSKMNVSA-N 0 0 179.263 2.131 10 30 AEEERN CCC(Cc1ccccc1)=NNC 308196022 572938451 /nfs/dbraw/zinc/93/84/51/572938451.db2.gz QYCIROXCKDXGEN-UHFFFAOYSA-N 0 0 176.263 2.215 10 30 AEEERN CC(C)(C)O[C@@H](C=O)C(C)(C)C 238115641 572938656 /nfs/dbraw/zinc/93/86/56/572938656.db2.gz NJOMSLWOTLHPLC-QMMMGPOBSA-N 0 0 172.268 2.415 10 30 AEEERN C=C[C@@H]1NC(=O)[C@H]1/C=C/c1ccccc1 238111280 572938681 /nfs/dbraw/zinc/93/86/81/572938681.db2.gz MCIUKWBGTYUENW-OMJLJAAMSA-N 0 0 199.253 2.000 10 30 AEEERN C=C[C@H](C)[C@@H](O)[C@H](CC(C)C)OC 308196304 572938705 /nfs/dbraw/zinc/93/87/05/572938705.db2.gz MVTFCYWWFSESPI-GARJFASQSA-N 0 0 186.295 2.231 10 30 AEEERN C=C(C)C(C[C@@H]1O[C@H]1C=O)=C(C)C 238115527 572938711 /nfs/dbraw/zinc/93/87/11/572938711.db2.gz INBSHBMZBHOACJ-QWRGUYRKSA-N 0 0 180.247 2.255 10 30 AEEERN C=C(C)[C@@H](CO)C[C@@H]1SC1(C)C 238112584 572938754 /nfs/dbraw/zinc/93/87/54/572938754.db2.gz AJULMSOGQBXXCJ-BDAKNGLRSA-N 0 0 186.320 2.455 10 30 AEEERN C=C[C@H](C)[C@H](O)[C@@H](CC(C)C)OC 308196302 572938868 /nfs/dbraw/zinc/93/88/68/572938868.db2.gz MVTFCYWWFSESPI-AXFHLTTASA-N 0 0 186.295 2.231 10 30 AEEERN C=CC[C@@H](O)[C@H](O)CCCCCC 308188252 572938870 /nfs/dbraw/zinc/93/88/70/572938870.db2.gz HIYYSZLTBVULDD-GHMZBOCLSA-N 0 0 186.295 2.255 10 30 AEEERN C#CCCC(=O)O[C@H]1C=CCCC1 308196469 572938878 /nfs/dbraw/zinc/93/88/78/572938878.db2.gz SPNNBAZRIBWIKV-JTQLQIEISA-N 0 0 178.231 2.052 10 30 AEEERN C=CCCCNc1snc(N)c1C 308196119 572939031 /nfs/dbraw/zinc/93/90/31/572939031.db2.gz RBBBDRSBBGDPOZ-UHFFFAOYSA-N 0 0 197.307 2.412 10 30 AEEERN CCCC1CCN([C@@H](C)C#N)CC1 50893799 572939095 /nfs/dbraw/zinc/93/90/95/572939095.db2.gz YIGHEOJWUAICLC-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C=C/C=C\CCN1CCCC[C@@H]1C#N 713643042 572939111 /nfs/dbraw/zinc/93/91/11/572939111.db2.gz GOPGWGMWAWNKTP-VSQXVHSFSA-N 0 0 190.290 2.497 10 30 AEEERN C[C@H](Cc1cccs1)N(C)CC#N 86440861 572939253 /nfs/dbraw/zinc/93/92/53/572939253.db2.gz SYZBSGQZYHPAIH-SECBINFHSA-N 0 0 194.303 2.134 10 30 AEEERN C[C@@H](Cc1cccs1)N(C)CC#N 86440859 572939358 /nfs/dbraw/zinc/93/93/58/572939358.db2.gz SYZBSGQZYHPAIH-VIFPVBQESA-N 0 0 194.303 2.134 10 30 AEEERN CCCC1CCN([C@H](C)C#N)CC1 50893800 572939509 /nfs/dbraw/zinc/93/95/09/572939509.db2.gz YIGHEOJWUAICLC-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C=C(CCO)c1ccc(C(C)=O)cc1 238139458 572939641 /nfs/dbraw/zinc/93/96/41/572939641.db2.gz VRDJHZDKKUCWCU-UHFFFAOYSA-N 0 0 190.242 2.285 10 30 AEEERN CC(C)C[C@H](O)C(C)(C)CC#N 238140198 572939998 /nfs/dbraw/zinc/93/99/98/572939998.db2.gz STUKTNWZXKIAHD-VIFPVBQESA-N 0 0 169.268 2.333 10 30 AEEERN C=C(C[C@@H](O)CCC)C[C@@H](C)CO 308197365 572939854 /nfs/dbraw/zinc/93/98/54/572939854.db2.gz NKTPMMJUXGHISX-MNOVXSKESA-N 0 0 186.295 2.112 10 30 AEEERN C=CCNC(C#N)(C(C)C)C(C)C 308196715 572940150 /nfs/dbraw/zinc/94/01/50/572940150.db2.gz NBLYEVALSJRISD-UHFFFAOYSA-N 0 0 180.295 2.336 10 30 AEEERN C=C(C[C@H](C)CO)C[C@@H](O)CCC 308197370 572940120 /nfs/dbraw/zinc/94/01/20/572940120.db2.gz NKTPMMJUXGHISX-QWRGUYRKSA-N 0 0 186.295 2.112 10 30 AEEERN C=C(C)c1nnc([C@H](N)CC(C)C)o1 238141142 572940456 /nfs/dbraw/zinc/94/04/56/572940456.db2.gz WOLBXPACJJOMRQ-MRVPVSSYSA-N 0 0 195.266 2.149 10 30 AEEERN C=C(C[C@@H](C)CO)C[C@H](O)CCC 308197361 572940675 /nfs/dbraw/zinc/94/06/75/572940675.db2.gz NKTPMMJUXGHISX-GHMZBOCLSA-N 0 0 186.295 2.112 10 30 AEEERN C=C(C)[C@H](CCO)c1cccc(O)c1 238138318 572940768 /nfs/dbraw/zinc/94/07/68/572940768.db2.gz PADKWRYKOFARHX-LBPRGKRZSA-N 0 0 192.258 2.434 10 30 AEEERN CCCC[C@H]1O[C@@H]1CCCCCO 308209823 572940945 /nfs/dbraw/zinc/94/09/45/572940945.db2.gz KMGKQLPZOVGESI-GHMZBOCLSA-N 0 0 186.295 2.497 10 30 AEEERN N#Cc1ccccc1NC1=NCCCC1 86454437 572940907 /nfs/dbraw/zinc/94/09/07/572940907.db2.gz ABEFIXKYZOVWGV-UHFFFAOYSA-N 0 0 199.257 2.362 10 30 AEEERN C#CCOC(=O)C1(CCC)CCC1 308209914 572941333 /nfs/dbraw/zinc/94/13/33/572941333.db2.gz FWHVQWGHRNAECV-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN C=C(C)[C@H](CO)C[C@@H]1SC1(C)C 238138565 572940983 /nfs/dbraw/zinc/94/09/83/572940983.db2.gz AJULMSOGQBXXCJ-IUCAKERBSA-N 0 0 186.320 2.455 10 30 AEEERN C=Cc1c(C#N)c2ccccc2[nH]c1=O 238133692 572941002 /nfs/dbraw/zinc/94/10/02/572941002.db2.gz QEUSSUZRIAJVRU-UHFFFAOYSA-N 0 0 196.209 2.043 10 30 AEEERN C=Cc1cccc([C@H]2C[NH2+]C[C@@H]2C#N)c1 238137807 572941173 /nfs/dbraw/zinc/94/11/73/572941173.db2.gz NVTOAEYFZBBJAZ-QWHCGFSZSA-N 0 0 198.269 2.156 10 30 AEEERN CCCC[C@@H]1O[C@H]1CCCCCO 308209825 572941211 /nfs/dbraw/zinc/94/12/11/572941211.db2.gz KMGKQLPZOVGESI-QWRGUYRKSA-N 0 0 186.295 2.497 10 30 AEEERN C=C(C)[C@H](CCO)Oc1ccccc1 238138207 572941242 /nfs/dbraw/zinc/94/12/42/572941242.db2.gz UMPFIXKCXMMMOA-LBPRGKRZSA-N 0 0 192.258 2.393 10 30 AEEERN CC#CCC(=O)C(C1CC1)C1CC1 308198467 572941647 /nfs/dbraw/zinc/94/16/47/572941647.db2.gz OIZDHQNKPMHQNP-UHFFFAOYSA-N 0 0 176.259 2.405 10 30 AEEERN C=C(C)[C@H](CCO)Nc1ccccc1 238138178 572941675 /nfs/dbraw/zinc/94/16/75/572941675.db2.gz CZUVQNWAEFOOJK-LBPRGKRZSA-N 0 0 191.274 2.426 10 30 AEEERN C=C[C@H](OC(=O)/C=C\CC)C1CC1 308209229 572941744 /nfs/dbraw/zinc/94/17/44/572941744.db2.gz FLEYABHJPVRINU-OMMCCPJFSA-N 0 0 180.247 2.460 10 30 AEEERN CC(C)CCCC1=CC(=CO)C(=O)O1 238139144 572941757 /nfs/dbraw/zinc/94/17/57/572941757.db2.gz WGJXZCUBFIPYOX-SECBINFHSA-N 0 0 196.246 2.069 10 30 AEEERN CCCC[C@H]1O[C@H]1CCCCCO 308209824 572941764 /nfs/dbraw/zinc/94/17/64/572941764.db2.gz KMGKQLPZOVGESI-MNOVXSKESA-N 0 0 186.295 2.497 10 30 AEEERN C=C(C)[C@H](CCC(C)=O)C(C)=O 238137859 572941772 /nfs/dbraw/zinc/94/17/72/572941772.db2.gz XQFRFLODOCZVIE-JTQLQIEISA-N 0 0 168.236 2.137 10 30 AEEERN C=CCN(CC)C(=O)CC1(C)CC1 308209190 572941795 /nfs/dbraw/zinc/94/17/95/572941795.db2.gz FJHPKRIMARNFQV-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(C)[C@H](CO)C[C@H]1SC1(C)C 238138599 572941883 /nfs/dbraw/zinc/94/18/83/572941883.db2.gz AJULMSOGQBXXCJ-DTWKUNHWSA-N 0 0 186.320 2.455 10 30 AEEERN C=C[C@H](OC(=O)/C=C/CC)C1CC1 308209230 572941965 /nfs/dbraw/zinc/94/19/65/572941965.db2.gz FLEYABHJPVRINU-PORFMDCZSA-N 0 0 180.247 2.460 10 30 AEEERN CC#CC[C@H](O)C(C1CC1)C1CC1 308212590 572941994 /nfs/dbraw/zinc/94/19/94/572941994.db2.gz LUONYXKEFWWAAZ-NSHDSACASA-N 0 0 178.275 2.197 10 30 AEEERN CCCC[C@@H]1O[C@@H]1CCCCCO 308209826 572942095 /nfs/dbraw/zinc/94/20/95/572942095.db2.gz KMGKQLPZOVGESI-WDEREUQCSA-N 0 0 186.295 2.497 10 30 AEEERN CC#CC[C@@H](O)C(C1CC1)C1CC1 308212589 572942258 /nfs/dbraw/zinc/94/22/58/572942258.db2.gz LUONYXKEFWWAAZ-LLVKDONJSA-N 0 0 178.275 2.197 10 30 AEEERN C=C[C@@H](OC(=O)/C=C\CC)C1CC1 308209231 572942322 /nfs/dbraw/zinc/94/23/22/572942322.db2.gz FLEYABHJPVRINU-WWQCOOJYSA-N 0 0 180.247 2.460 10 30 AEEERN CCC/C=C/C(=O)OC[C@H](C)C#N 308210695 572942746 /nfs/dbraw/zinc/94/27/46/572942746.db2.gz GFMMHLOEVYVICK-VUHVRTRXSA-N 0 0 181.235 2.046 10 30 AEEERN C#C[C@H](O)CCCCC(C)C 238141320 572944216 /nfs/dbraw/zinc/94/42/16/572944216.db2.gz FONJGVSLKYAPSO-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C=C[C@@H](OC(=O)/C=C/CC)C1CC1 308209228 572943102 /nfs/dbraw/zinc/94/31/02/572943102.db2.gz FLEYABHJPVRINU-BRAIEQGRSA-N 0 0 180.247 2.460 10 30 AEEERN C[C@@H]1Cc2c(C#N)ccc(F)c2N1 713786879 572943150 /nfs/dbraw/zinc/94/31/50/572943150.db2.gz YPUSOALIVGAFKZ-ZCFIWIBFSA-N 0 0 176.194 2.054 10 30 AEEERN C=C(OCC(C)(C)CO)C(F)(F)F 308209404 572943182 /nfs/dbraw/zinc/94/31/82/572943182.db2.gz KFSPRRYVFXRHCV-UHFFFAOYSA-N 0 0 198.184 2.098 10 30 AEEERN CC(C)CCCC[C@@H]1O[C@@H]1C=O 238141403 572943199 /nfs/dbraw/zinc/94/31/99/572943199.db2.gz UDRBJAPHYXEOOM-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)CCCC[C@@H]1O[C@H]1C=O 238141432 572943233 /nfs/dbraw/zinc/94/32/33/572943233.db2.gz UDRBJAPHYXEOOM-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C[C@H]1[C@@H](CC#N)C1(C)C)=NO 308211605 572943390 /nfs/dbraw/zinc/94/33/90/572943390.db2.gz LLLCJXVWGPQIJM-BDAKNGLRSA-N 0 0 180.251 2.412 10 30 AEEERN COc1cncc(C(=O)C=C(C)C)c1 234925610 572943546 /nfs/dbraw/zinc/94/35/46/572943546.db2.gz KTTYMBACAABFTJ-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN CCC(=O)/C(C)=C\OC(C)C 214805897 572943646 /nfs/dbraw/zinc/94/36/46/572943646.db2.gz BOAKMJGAEHERGC-VURMDHGXSA-N 0 0 156.225 2.294 10 30 AEEERN CC(C[C@@H]1[C@H](CC#N)C1(C)C)=NO 308211607 572944028 /nfs/dbraw/zinc/94/40/28/572944028.db2.gz LLLCJXVWGPQIJM-DTWKUNHWSA-N 0 0 180.251 2.412 10 30 AEEERN CCCCCC=NO[C@H]1CCOC1 308212572 572944103 /nfs/dbraw/zinc/94/41/03/572944103.db2.gz HFSSBYTWXQKDGX-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN C=C(C)CC(CO)(CO)CC=C(C)C 238141262 572944227 /nfs/dbraw/zinc/94/42/27/572944227.db2.gz IRMJUYPIFKTAML-UHFFFAOYSA-N 0 0 198.306 2.280 10 30 AEEERN CC#CCCn1ccc(CCC)n1 308211751 572944640 /nfs/dbraw/zinc/94/46/40/572944640.db2.gz GTPHPYKTCGZWBG-UHFFFAOYSA-N 0 0 176.263 2.249 10 30 AEEERN CCCCCOC(=O)CCCC#N 308207553 572944732 /nfs/dbraw/zinc/94/47/32/572944732.db2.gz DGKINMZXAMNZJW-UHFFFAOYSA-N 0 0 183.251 2.414 10 30 AEEERN C/C=C\[C@H](C)[C@@H](O)C#C[Si](C)(C)C 308208589 572945845 /nfs/dbraw/zinc/94/58/45/572945845.db2.gz VGIHDEVKDNRKPO-TWHAFNCTSA-N 0 0 196.366 2.440 10 30 AEEERN C#C[C@@H](O)CCCCC(C)C 238141543 572945962 /nfs/dbraw/zinc/94/59/62/572945962.db2.gz FONJGVSLKYAPSO-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN CCCCC/C=C\C[C@H](O)[C@@H]1CO1 308207929 572946092 /nfs/dbraw/zinc/94/60/92/572946092.db2.gz JFZYKJBITIRUOK-TWHAFNCTSA-N 0 0 184.279 2.273 10 30 AEEERN C=CC[C@@](C)(O)c1cncc(F)c1 235423798 572946196 /nfs/dbraw/zinc/94/61/96/572946196.db2.gz QUZJYRSCOQGHKT-SNVBAGLBSA-N 0 0 181.210 2.004 10 30 AEEERN C[C@@H]1CCC[C@](C=O)(CCCO)C1 317574953 572946230 /nfs/dbraw/zinc/94/62/30/572946230.db2.gz PBZQYLFNUWJOTD-MNOVXSKESA-N 0 0 184.279 2.154 10 30 AEEERN CCCCC/C=C/C[C@H](O)[C@@H]1CO1 308207927 572946497 /nfs/dbraw/zinc/94/64/97/572946497.db2.gz JFZYKJBITIRUOK-JYLGIWJRSA-N 0 0 184.279 2.273 10 30 AEEERN C=C(C(=O)COC(C)C)C(F)(F)F 308208208 572946509 /nfs/dbraw/zinc/94/65/09/572946509.db2.gz JKESUBPUQQVQSJ-UHFFFAOYSA-N 0 0 196.168 2.099 10 30 AEEERN C[C@H]1CCC[C@](C=O)(CCCO)C1 317574958 572946529 /nfs/dbraw/zinc/94/65/29/572946529.db2.gz PBZQYLFNUWJOTD-QWRGUYRKSA-N 0 0 184.279 2.154 10 30 AEEERN C[C@@](O)(CC=O)C1=CCCCCC1 235423954 572946547 /nfs/dbraw/zinc/94/65/47/572946547.db2.gz AHJFZYUXNIIEJM-LLVKDONJSA-N 0 0 182.263 2.217 10 30 AEEERN C=CC[C@H]1CC(O)C[C@H](CC=C)O1 308208284 572946552 /nfs/dbraw/zinc/94/65/52/572946552.db2.gz VBPMIJNYBHHGEV-QWRGUYRKSA-N 0 0 182.263 2.047 10 30 AEEERN C[C@H]1CCC[C@@](C=O)(CCCO)C1 317574962 572946573 /nfs/dbraw/zinc/94/65/73/572946573.db2.gz PBZQYLFNUWJOTD-WDEREUQCSA-N 0 0 184.279 2.154 10 30 AEEERN C=C(CC)CC(=O)[C@@H](C)[C@H](O)CC 308127128 572946642 /nfs/dbraw/zinc/94/66/42/572946642.db2.gz CCHDVNPGIQUXGK-VHSXEESVSA-N 0 0 184.279 2.319 10 30 AEEERN CC(C)CCCC[C@H]1O[C@H]1C=O 238141638 572946830 /nfs/dbraw/zinc/94/68/30/572946830.db2.gz UDRBJAPHYXEOOM-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN C#C/C=C\[C@H](C)[C@@H]1CCCC[C@H]1O 308153939 572947269 /nfs/dbraw/zinc/94/72/69/572947269.db2.gz KZRQDFISQYHYGH-CASIUBDPSA-N 0 0 178.275 2.363 10 30 AEEERN C=CC[C@H]1C[C@H](O)C[C@@H](CC=C)O1 308208285 572947387 /nfs/dbraw/zinc/94/73/87/572947387.db2.gz VBPMIJNYBHHGEV-RTCCRHLQSA-N 0 0 182.263 2.047 10 30 AEEERN C[C@H]1Cc2c(C#N)cc(F)cc2N1 713792020 572947403 /nfs/dbraw/zinc/94/74/03/572947403.db2.gz AKPVRXGMOTWUGF-LURJTMIESA-N 0 0 176.194 2.054 10 30 AEEERN C=CC[C@@H](C)Nc1cc(C)cnn1 235427725 572947438 /nfs/dbraw/zinc/94/74/38/572947438.db2.gz JUYKSXLEWDVRIC-SECBINFHSA-N 0 0 177.251 2.162 10 30 AEEERN C[C@@H]1Cc2c(C#N)cc(F)cc2N1 713792021 572947608 /nfs/dbraw/zinc/94/76/08/572947608.db2.gz AKPVRXGMOTWUGF-ZCFIWIBFSA-N 0 0 176.194 2.054 10 30 AEEERN C=CC[C@@H](C)Nc1cc(N)ns1 235428011 572948013 /nfs/dbraw/zinc/94/80/13/572948013.db2.gz UKTAKAGBYZXWOV-ZCFIWIBFSA-N 0 0 183.280 2.102 10 30 AEEERN C=CC[C@H](CC1(C)CCCC1)NN 308214063 572948250 /nfs/dbraw/zinc/94/82/50/572948250.db2.gz YKEVDXBBGQZUMQ-SNVBAGLBSA-N 0 0 182.311 2.365 10 30 AEEERN CCCOCC1=CC(=O)CCC1 86528359 572948743 /nfs/dbraw/zinc/94/87/43/572948743.db2.gz NMIVNWMUNIGVAK-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN CCN(C)N=C(C)c1ccccc1 308214460 572949330 /nfs/dbraw/zinc/94/93/30/572949330.db2.gz IGCRHNLHUPIMMO-UHFFFAOYSA-N 0 0 176.263 2.362 10 30 AEEERN C=CC[C@@H](CC1(C)CCCC1)NN 308214062 572949384 /nfs/dbraw/zinc/94/93/84/572949384.db2.gz YKEVDXBBGQZUMQ-JTQLQIEISA-N 0 0 182.311 2.365 10 30 AEEERN CC[C@H](C)OC(=O)C1(C#N)CCC1 308214100 572949489 /nfs/dbraw/zinc/94/94/89/572949489.db2.gz HZVNNFDRJWVUPG-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C/CCC 308214139 572949879 /nfs/dbraw/zinc/94/98/79/572949879.db2.gz ICRFQGCJEYTDTD-AAXQSMANSA-N 0 0 180.247 2.298 10 30 AEEERN C=CCCOCC[C@@H]1CCCC1=O 86532147 572950751 /nfs/dbraw/zinc/95/07/51/572950751.db2.gz PFZIRFRHKKPKSK-JTQLQIEISA-N 0 0 182.263 2.338 10 30 AEEERN C=CC[C@H](O)/C=C/C[C@H](O)C(C)(C)C 238146266 572950980 /nfs/dbraw/zinc/95/09/80/572950980.db2.gz XTHWOHVJQIWIJQ-SIPGATMPSA-N 0 0 198.306 2.277 10 30 AEEERN C=C(CCCOC(C)=O)N=[N+]=[N-] 238143641 572951004 /nfs/dbraw/zinc/95/10/04/572951004.db2.gz XQHXNRXCFQBVDV-UHFFFAOYSA-N 0 0 169.184 2.154 10 30 AEEERN C=CCC(C#N)(C#N)[C@H](O)C(C)(C)C 238146158 572951072 /nfs/dbraw/zinc/95/10/72/572951072.db2.gz CPXHHMSPGSQOIB-SECBINFHSA-N 0 0 192.262 2.003 10 30 AEEERN CCC(C)(C)C[C@@H]1CO1 199559269 572951263 /nfs/dbraw/zinc/95/12/63/572951263.db2.gz XEXVYMMXZCWFOG-SSDOTTSWSA-N 0 0 128.215 2.212 10 30 AEEERN CCSCC[C@H]1CCC[C@]1(N)C#N 86535558 572951372 /nfs/dbraw/zinc/95/13/72/572951372.db2.gz QLSKLHNHXUYSAO-ZJUUUORDSA-N 0 0 198.335 2.151 10 30 AEEERN CCSCC[C@@H]1CCC[C@]1(N)C#N 86535555 572951734 /nfs/dbraw/zinc/95/17/34/572951734.db2.gz QLSKLHNHXUYSAO-UWVGGRQHSA-N 0 0 198.335 2.151 10 30 AEEERN CN[C@@]1(C#N)CCC[C@H]1CCSC 86535680 572951774 /nfs/dbraw/zinc/95/17/74/572951774.db2.gz HQSWNQJOSUCIRQ-VHSXEESVSA-N 0 0 198.335 2.021 10 30 AEEERN C[C@](N)(C#N)c1ccc(Cl)s1 58520526 572951846 /nfs/dbraw/zinc/95/18/46/572951846.db2.gz WBBQYFMHPWSAOQ-ZETCQYMHSA-N 0 0 186.667 2.099 10 30 AEEERN CCSCC[C@H]1CCC[C@@]1(N)C#N 86535561 572951909 /nfs/dbraw/zinc/95/19/09/572951909.db2.gz QLSKLHNHXUYSAO-NXEZZACHSA-N 0 0 198.335 2.151 10 30 AEEERN Cc1cc(C(=O)CS)ccc1F 58520323 572951963 /nfs/dbraw/zinc/95/19/63/572951963.db2.gz OHQQROAOIHGVTB-UHFFFAOYSA-N 0 0 184.235 2.247 10 30 AEEERN CN[C@]1(C#N)CCC[C@H]1CCSC 86535678 572951986 /nfs/dbraw/zinc/95/19/86/572951986.db2.gz HQSWNQJOSUCIRQ-UWVGGRQHSA-N 0 0 198.335 2.021 10 30 AEEERN CCSCC[C@@H]1CCC[C@@]1(N)C#N 86535560 572952066 /nfs/dbraw/zinc/95/20/66/572952066.db2.gz QLSKLHNHXUYSAO-VHSXEESVSA-N 0 0 198.335 2.151 10 30 AEEERN Cc1ccc([C@@](C)(C#N)N(C)C)cc1 58520732 572952515 /nfs/dbraw/zinc/95/25/15/572952515.db2.gz KHDXVPIRWOKVQV-GFCCVEGCSA-N 0 0 188.274 2.295 10 30 AEEERN CN[C@]1(C#N)CCC[C@@H]1CCSC 86535675 572952157 /nfs/dbraw/zinc/95/21/57/572952157.db2.gz HQSWNQJOSUCIRQ-ZJUUUORDSA-N 0 0 198.335 2.021 10 30 AEEERN Cc1ccccc1[C@](C)(C#N)N(C)C 58520729 572952190 /nfs/dbraw/zinc/95/21/90/572952190.db2.gz KYTHCWVJKBJGBV-LBPRGKRZSA-N 0 0 188.274 2.295 10 30 AEEERN Cc1cccc([C@@](C)(C#N)N(C)C)c1 58520730 572952246 /nfs/dbraw/zinc/95/22/46/572952246.db2.gz ZDEVYSRXNOZZNW-GFCCVEGCSA-N 0 0 188.274 2.295 10 30 AEEERN Cc1ccc(C)c(C(=O)CS)c1 58519718 572952415 /nfs/dbraw/zinc/95/24/15/572952415.db2.gz URTROPXLVMJGAF-UHFFFAOYSA-N 0 0 180.272 2.416 10 30 AEEERN CCc1ccc(C(=O)CS)cc1 58519708 572952453 /nfs/dbraw/zinc/95/24/53/572952453.db2.gz KFTIJMPRTIOIMS-UHFFFAOYSA-N 0 0 180.272 2.362 10 30 AEEERN CCCCCN[C@@H](C#N)C(C)C 58518327 572952489 /nfs/dbraw/zinc/95/24/89/572952489.db2.gz XZLLKMRBPCSHND-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN CCc1ccc2c(c1)C(=O)C[C@H]2C#N 58520390 572952526 /nfs/dbraw/zinc/95/25/26/572952526.db2.gz FHOOHDJTJQUPGT-VIFPVBQESA-N 0 0 185.226 2.443 10 30 AEEERN CCCCCN[C@H](C#N)C(C)C 58518330 572952529 /nfs/dbraw/zinc/95/25/29/572952529.db2.gz XZLLKMRBPCSHND-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN Cc1cccc2c1[C@H](C#N)CC2=O 58518458 572952555 /nfs/dbraw/zinc/95/25/55/572952555.db2.gz GVBGVDZYPGJQMC-QMMMGPOBSA-N 0 0 171.199 2.189 10 30 AEEERN CN[C@@]1(C#N)CCC[C@@H]1CCSC 86535676 572952582 /nfs/dbraw/zinc/95/25/82/572952582.db2.gz HQSWNQJOSUCIRQ-NXEZZACHSA-N 0 0 198.335 2.021 10 30 AEEERN Cc1ccc(C(=O)CS)c(C)c1 58519719 572952891 /nfs/dbraw/zinc/95/28/91/572952891.db2.gz FSVXWMVBXYNVDS-UHFFFAOYSA-N 0 0 180.272 2.416 10 30 AEEERN CCc1ccc(C2(C=O)CC2)cc1 58518638 572953223 /nfs/dbraw/zinc/95/32/23/572953223.db2.gz AHNWGQHPPSLLLA-UHFFFAOYSA-N 0 0 174.243 2.480 10 30 AEEERN Cc1ccc([C@](C)(C#N)N(C)C)cc1 58520733 572953227 /nfs/dbraw/zinc/95/32/27/572953227.db2.gz KHDXVPIRWOKVQV-LBPRGKRZSA-N 0 0 188.274 2.295 10 30 AEEERN Cc1ccc2c(c1)C(=O)C[C@@H]2C#N 58518453 572953249 /nfs/dbraw/zinc/95/32/49/572953249.db2.gz APPBYIMKHHHHNS-MRVPVSSYSA-N 0 0 171.199 2.189 10 30 AEEERN CN(CC(C)(C)C=O)c1ccccc1 51175365 572953298 /nfs/dbraw/zinc/95/32/98/572953298.db2.gz IOVCOSHPAWRMRV-UHFFFAOYSA-N 0 0 191.274 2.348 10 30 AEEERN Cc1ccc(C[C@@](C)(C#N)CO)cc1 58520940 572953354 /nfs/dbraw/zinc/95/33/54/572953354.db2.gz BRADURXLHTYGAL-LBPRGKRZSA-N 0 0 189.258 2.060 10 30 AEEERN C=C[C@H](OC(=O)NC(C)C)C(C)C 238151214 572953947 /nfs/dbraw/zinc/95/39/47/572953947.db2.gz WMSBENHPMOMKJN-VIFPVBQESA-N 0 0 185.267 2.332 10 30 AEEERN C=CCc1ccc(O)c(N(C)C)c1 3198012 572954480 /nfs/dbraw/zinc/95/44/80/572954480.db2.gz POAFLGYBIKLVMP-UHFFFAOYSA-N 0 0 177.247 2.187 10 30 AEEERN CC(C)=CCC[C@@]1(C)O[C@@H]1/C=C/CO 238148643 572954635 /nfs/dbraw/zinc/95/46/35/572954635.db2.gz BTADSENLPYRVOC-ONYUAGEFSA-N 0 0 196.290 2.439 10 30 AEEERN CC(C)CCC[C@@]1(C)O[C@@H]1C=O 238148641 572954685 /nfs/dbraw/zinc/95/46/85/572954685.db2.gz XILWBYMDJXZHFJ-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@](C#N)(c1ccco1)N1CCCC1 58521264 572954754 /nfs/dbraw/zinc/95/47/54/572954754.db2.gz RQPQHRZGRNWYEV-LLVKDONJSA-N 0 0 190.246 2.114 10 30 AEEERN CC(C)CCC[C@@]1(C)O[C@H]1C=O 238148668 572954768 /nfs/dbraw/zinc/95/47/68/572954768.db2.gz XILWBYMDJXZHFJ-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(C)[C@H]1CCC(=O)[C@H]1CCCCO 238144801 572954816 /nfs/dbraw/zinc/95/48/16/572954816.db2.gz FDDSLHNNXBTVBF-MNOVXSKESA-N 0 0 196.290 2.320 10 30 AEEERN C=C(CO)[C@](C)(O)CCC=C(C)C 238147791 572954886 /nfs/dbraw/zinc/95/48/86/572954886.db2.gz BMERORCSBCGTRN-LLVKDONJSA-N 0 0 184.279 2.032 10 30 AEEERN C=C[C@](C)(CCC=C(C)C)C(N)=O 238147244 572955043 /nfs/dbraw/zinc/95/50/43/572955043.db2.gz YFVYAVMSBVRPEE-LLVKDONJSA-N 0 0 181.279 2.410 10 30 AEEERN C=CC[C@H]1C[C@H](CC(C)C)NC1=O 238151785 572955082 /nfs/dbraw/zinc/95/50/82/572955082.db2.gz LYKPENKUFXCZFF-UWVGGRQHSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@@H](OC(=O)NC(C)C)C(C)C 238151287 572955091 /nfs/dbraw/zinc/95/50/91/572955091.db2.gz WMSBENHPMOMKJN-SECBINFHSA-N 0 0 185.267 2.332 10 30 AEEERN C=CC(C)(C)[C@@H](O)Cc1ccco1 238153509 572955327 /nfs/dbraw/zinc/95/53/27/572955327.db2.gz FUQHQJSKHOCVJH-JTQLQIEISA-N 0 0 180.247 2.395 10 30 AEEERN C=C(C)[C@H](CC=C(C)C)C(N)=O 238153602 572955334 /nfs/dbraw/zinc/95/53/34/572955334.db2.gz NTRLURZNYYWNQW-VIFPVBQESA-N 0 0 167.252 2.020 10 30 AEEERN C=C1c2ccc(C)cc2CC[C@@H]1O 221673541 572955335 /nfs/dbraw/zinc/95/53/35/572955335.db2.gz LVFIGMZXVGXDLW-LBPRGKRZSA-N 0 0 174.243 2.315 10 30 AEEERN C#C[C@@H](CC=C(C)C)CCCO 238154032 572955494 /nfs/dbraw/zinc/95/54/94/572955494.db2.gz YPAKBEQYGITZOF-LLVKDONJSA-N 0 0 166.264 2.365 10 30 AEEERN CC(C)CO[C@@H]1C=CC[C@H](C=O)[C@@H]1C 238154508 572955527 /nfs/dbraw/zinc/95/55/27/572955527.db2.gz ZJZVQCRSIFSJBJ-QJPTWQEYSA-N 0 0 196.290 2.439 10 30 AEEERN C=C(C)[C@]1(O)CC[C@@H]1CCCC=O 238154639 572955560 /nfs/dbraw/zinc/95/55/60/572955560.db2.gz NHCHUFRMUXIIOD-WDEREUQCSA-N 0 0 182.263 2.073 10 30 AEEERN C=C[C@@H](CCO)[C@H](C=O)CC=C(C)C 238153795 572955586 /nfs/dbraw/zinc/95/55/86/572955586.db2.gz OJNPTMAMRSSCSN-RYUDHWBXSA-N 0 0 196.290 2.342 10 30 AEEERN CC(C)[C@H](C=O)C[C@@H]1CCCO1 238154415 572955680 /nfs/dbraw/zinc/95/56/80/572955680.db2.gz FVBVSDBTBNZLCC-UWVGGRQHSA-N 0 0 170.252 2.027 10 30 AEEERN C=CC[C@@H]1C[C@H](CC(C)C)NC1=O 238151077 572955781 /nfs/dbraw/zinc/95/57/81/572955781.db2.gz LYKPENKUFXCZFF-ZJUUUORDSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)[C@]1(O)CC[C@H]1CCCC=O 238154689 572955863 /nfs/dbraw/zinc/95/58/63/572955863.db2.gz NHCHUFRMUXIIOD-GHMZBOCLSA-N 0 0 182.263 2.073 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@]1(F)CO 238150848 572955872 /nfs/dbraw/zinc/95/58/72/572955872.db2.gz SSIMPUGHFHATGB-VHSXEESVSA-N 0 0 188.242 2.180 10 30 AEEERN C=C[C@@](C)(CCC=C(C)C)C(N)=O 238149621 572955874 /nfs/dbraw/zinc/95/58/74/572955874.db2.gz YFVYAVMSBVRPEE-NSHDSACASA-N 0 0 181.279 2.410 10 30 AEEERN C=CC(C)(C)[C@H](O)Cc1ccco1 238154346 572955923 /nfs/dbraw/zinc/95/59/23/572955923.db2.gz FUQHQJSKHOCVJH-SNVBAGLBSA-N 0 0 180.247 2.395 10 30 AEEERN CC(C)=CCOCCCCC=O 238152933 572956018 /nfs/dbraw/zinc/95/60/18/572956018.db2.gz MKBYAWMYFCMCAK-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@@H]1/C=C/CO 238150673 572956112 /nfs/dbraw/zinc/95/61/12/572956112.db2.gz BTADSENLPYRVOC-BAEOLTKYSA-N 0 0 196.290 2.439 10 30 AEEERN C/C(=N/O)c1ccc2ncccc2c1 208206289 572956142 /nfs/dbraw/zinc/95/61/42/572956142.db2.gz ZXVXDQGYKWEPRF-JYRVWZFOSA-N 0 0 186.214 2.433 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@@]1(F)CO 238150715 572956307 /nfs/dbraw/zinc/95/63/07/572956307.db2.gz SSIMPUGHFHATGB-UWVGGRQHSA-N 0 0 188.242 2.180 10 30 AEEERN CC(C)C[C@@H](O)C(C)(C)CC#N 238150302 572956433 /nfs/dbraw/zinc/95/64/33/572956433.db2.gz STUKTNWZXKIAHD-SECBINFHSA-N 0 0 169.268 2.333 10 30 AEEERN C=C(CO)[C@@](C)(O)CCC=C(C)C 238150028 572956509 /nfs/dbraw/zinc/95/65/09/572956509.db2.gz BMERORCSBCGTRN-NSHDSACASA-N 0 0 184.279 2.032 10 30 AEEERN CC(C)CO[C@@H]1C=CC[C@@H](C=O)[C@@H]1C 238154483 572956544 /nfs/dbraw/zinc/95/65/44/572956544.db2.gz ZJZVQCRSIFSJBJ-SDDRHHMPSA-N 0 0 196.290 2.439 10 30 AEEERN C=CC[C@@H](NN)C1=CCCCCC1 236289898 572956556 /nfs/dbraw/zinc/95/65/56/572956556.db2.gz QSNCLIMRDCTHGG-LLVKDONJSA-N 0 0 180.295 2.285 10 30 AEEERN C=C1C=CC(=O)[C@H]2CCC[C@@H]12 208268397 572957004 /nfs/dbraw/zinc/95/70/04/572957004.db2.gz FHTKQXHREUCWGD-IUCAKERBSA-N 0 0 148.205 2.098 10 30 AEEERN C#CCC(C)(C)[C@@H](C=C)CCO 238158528 572957137 /nfs/dbraw/zinc/95/71/37/572957137.db2.gz WINDDCLDVZZXIL-JTQLQIEISA-N 0 0 166.264 2.221 10 30 AEEERN C#CC1=C(C)[C@@H](O)C[C@H](C(=C)C)C1 208270818 572957140 /nfs/dbraw/zinc/95/71/40/572957140.db2.gz QBLFPKGWPKIVSI-NEPJUHHUSA-N 0 0 176.259 2.283 10 30 AEEERN C=C[C@H](CCO)[C@@H](C=O)CC=C(C)C 238156621 572957204 /nfs/dbraw/zinc/95/72/04/572957204.db2.gz OJNPTMAMRSSCSN-VXGBXAGGSA-N 0 0 196.290 2.342 10 30 AEEERN C#CCC(C)(C)[C@H](C=C)CCO 238158494 572957212 /nfs/dbraw/zinc/95/72/12/572957212.db2.gz WINDDCLDVZZXIL-SNVBAGLBSA-N 0 0 166.264 2.221 10 30 AEEERN CC(C)[C@H](C=O)C[C@H]1CCCO1 238154897 572957262 /nfs/dbraw/zinc/95/72/62/572957262.db2.gz FVBVSDBTBNZLCC-VHSXEESVSA-N 0 0 170.252 2.027 10 30 AEEERN CC(C)Oc1ccc(OCC#N)cc1 238155727 572957458 /nfs/dbraw/zinc/95/74/58/572957458.db2.gz MKJJACCHQOBYRN-UHFFFAOYSA-N 0 0 191.230 2.376 10 30 AEEERN C=C[C@@H](CCO)[C@@H](C=O)CC=C(C)C 238156638 572957524 /nfs/dbraw/zinc/95/75/24/572957524.db2.gz OJNPTMAMRSSCSN-NWDGAFQWSA-N 0 0 196.290 2.342 10 30 AEEERN C=C(C[C@H](O)C(C)=O)c1ccccc1 238155254 572957645 /nfs/dbraw/zinc/95/76/45/572957645.db2.gz RRQJSXGMAQCDNC-LBPRGKRZSA-N 0 0 190.242 2.040 10 30 AEEERN C=C1C=CC(=O)[C@H]2CCC[C@H]12 208268316 572957749 /nfs/dbraw/zinc/95/77/49/572957749.db2.gz FHTKQXHREUCWGD-BDAKNGLRSA-N 0 0 148.205 2.098 10 30 AEEERN C#C[C@H](O)C(C)(C)CC=C(C)C 222013798 572957875 /nfs/dbraw/zinc/95/78/75/572957875.db2.gz GXSVXWWYZLVPRH-JTQLQIEISA-N 0 0 166.264 2.363 10 30 AEEERN C#C[C@H](CC=C(C)C)CCCO 238156772 572957895 /nfs/dbraw/zinc/95/78/95/572957895.db2.gz YPAKBEQYGITZOF-NSHDSACASA-N 0 0 166.264 2.365 10 30 AEEERN C=C1C=CC(=O)[C@@H]2CCC[C@H]12 208268356 572958006 /nfs/dbraw/zinc/95/80/06/572958006.db2.gz FHTKQXHREUCWGD-RKDXNWHRSA-N 0 0 148.205 2.098 10 30 AEEERN CC(=O)c1c2ccccc2c(C#N)n1C 238155585 572958175 /nfs/dbraw/zinc/95/81/75/572958175.db2.gz PCOOWRWFCPTLBY-UHFFFAOYSA-N 0 0 198.225 2.253 10 30 AEEERN C=C(C)[C@@H](CC=C(C)C)C(N)=O 238156516 572958216 /nfs/dbraw/zinc/95/82/16/572958216.db2.gz NTRLURZNYYWNQW-SECBINFHSA-N 0 0 167.252 2.020 10 30 AEEERN C=CCC(C)(C)OCC(=O)C=C 238163783 572958427 /nfs/dbraw/zinc/95/84/27/572958427.db2.gz DGQULGBHTRKNJP-UHFFFAOYSA-N 0 0 168.236 2.113 10 30 AEEERN C=CCCC[C@@]([NH3+])(CC(C)C)C(=O)[O-] 238163404 572958568 /nfs/dbraw/zinc/95/85/68/572958568.db2.gz FFEHQWUBLBBEIS-LLVKDONJSA-N 0 0 199.294 2.171 10 30 AEEERN C=CC[C@@H]1C[C@@H](CC(C)C)NC1=O 238158548 572958612 /nfs/dbraw/zinc/95/86/12/572958612.db2.gz LYKPENKUFXCZFF-NXEZZACHSA-N 0 0 181.279 2.113 10 30 AEEERN CC(C)Oc1cccc(OCC#N)c1 238158559 572958626 /nfs/dbraw/zinc/95/86/26/572958626.db2.gz HBJNYUWNEXLSSK-UHFFFAOYSA-N 0 0 191.230 2.376 10 30 AEEERN C#C[C@](C)(CCCO)C(C)(C)C 238163505 572958649 /nfs/dbraw/zinc/95/86/49/572958649.db2.gz ANDIWBXFMFKYDK-LLVKDONJSA-N 0 0 168.280 2.445 10 30 AEEERN C=C[C@](C)(CO)C[C@@H]1CC[C@H](C)O1 299998999 572958761 /nfs/dbraw/zinc/95/87/61/572958761.db2.gz YOSYWAVKPXLMKV-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN CC(C)(C)[C@@](O)(CC=O)c1ccoc1 238164676 572959019 /nfs/dbraw/zinc/95/90/19/572959019.db2.gz WUHDCJPLPMUYEP-LLVKDONJSA-N 0 0 196.246 2.102 10 30 AEEERN CC(C)(C)[C@@H](C=O)CCCC=O 238167847 572959438 /nfs/dbraw/zinc/95/94/38/572959438.db2.gz CFEYTHWIGIOREK-SECBINFHSA-N 0 0 170.252 2.217 10 30 AEEERN C=CCC(C)(C)/C=C/CC(CO)CO 238164521 572959756 /nfs/dbraw/zinc/95/97/56/572959756.db2.gz SLQFJWQRJNBUTP-VMPITWQZSA-N 0 0 198.306 2.136 10 30 AEEERN C=CCCC[C@]([NH3+])(CC(C)C)C(=O)[O-] 238168137 572959798 /nfs/dbraw/zinc/95/97/98/572959798.db2.gz FFEHQWUBLBBEIS-NSHDSACASA-N 0 0 199.294 2.171 10 30 AEEERN CC(C)(C=O)CC(C)(C)CC=O 238164746 572959940 /nfs/dbraw/zinc/95/99/40/572959940.db2.gz AOGNVIBADVIINN-UHFFFAOYSA-N 0 0 170.252 2.217 10 30 AEEERN C=CC[C@@H](NN)c1ccc(Cl)o1 236290684 572960109 /nfs/dbraw/zinc/96/01/09/572960109.db2.gz JXXXHQDUCSIANA-ZCFIWIBFSA-N 0 0 186.642 2.014 10 30 AEEERN COC(C)(C)C(=O)C1=CCCCC1 234644234 572960323 /nfs/dbraw/zinc/96/03/23/572960323.db2.gz SBZFXYAOFDRKNW-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN C#C[C@@H](O)C(C)(C)CC=C(C)C 222013731 572960360 /nfs/dbraw/zinc/96/03/60/572960360.db2.gz GXSVXWWYZLVPRH-SNVBAGLBSA-N 0 0 166.264 2.363 10 30 AEEERN C/C=C(/C)[C@@H](O)C#Cc1ccccc1 208387192 572960463 /nfs/dbraw/zinc/96/04/63/572960463.db2.gz SSLHUYSMQFOQPN-WVVNNJFASA-N 0 0 186.254 2.365 10 30 AEEERN CC(C)(C)[C@@H](CC=O)CCC=O 238167807 572960923 /nfs/dbraw/zinc/96/09/23/572960923.db2.gz TXRGGIXTYPTSSZ-SECBINFHSA-N 0 0 170.252 2.217 10 30 AEEERN C=CC[C@@]1(C)SC=CC1=O 196721690 572961434 /nfs/dbraw/zinc/96/14/34/572961434.db2.gz IFZYYEPHKZGWKB-MRVPVSSYSA-N 0 0 154.234 2.151 10 30 AEEERN C=CCOc1ccoc1C(C)=O 196721572 572961439 /nfs/dbraw/zinc/96/14/39/572961439.db2.gz JQMDPRNOMGUMTO-UHFFFAOYSA-N 0 0 166.176 2.047 10 30 AEEERN C=CC[C@]1(C)SC=CC1=O 196721681 572961514 /nfs/dbraw/zinc/96/15/14/572961514.db2.gz IFZYYEPHKZGWKB-QMMMGPOBSA-N 0 0 154.234 2.151 10 30 AEEERN CC#C[C@@H](O)CSc1ccccc1 196721265 572961621 /nfs/dbraw/zinc/96/16/21/572961621.db2.gz LIRHIXZNOBQSCT-SNVBAGLBSA-N 0 0 192.283 2.163 10 30 AEEERN CC#C[C@H](O)CSc1ccccc1 196721253 572961671 /nfs/dbraw/zinc/96/16/71/572961671.db2.gz LIRHIXZNOBQSCT-JTQLQIEISA-N 0 0 192.283 2.163 10 30 AEEERN Cc1c(C#N)ccc2c1C[C@@H](C)N2 713799032 572961776 /nfs/dbraw/zinc/96/17/76/572961776.db2.gz ZDAHWFFHPVIJFA-SSDOTTSWSA-N 0 0 172.231 2.223 10 30 AEEERN C=C(C)[C@H]1CCC=CC1=O 196738911 572961839 /nfs/dbraw/zinc/96/18/39/572961839.db2.gz PGBCCQOWVMTNAN-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN Cc1cc2c(cc1C#N)C[C@@H](C)N2 713799037 572962071 /nfs/dbraw/zinc/96/20/71/572962071.db2.gz ZIMIVUXYXOKLIP-MRVPVSSYSA-N 0 0 172.231 2.223 10 30 AEEERN C=C(C)[C@@H]1CCC=CC1=O 196738901 572962124 /nfs/dbraw/zinc/96/21/24/572962124.db2.gz PGBCCQOWVMTNAN-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN Cc1cc2c(cc1C#N)C[C@H](C)N2 713799042 572962953 /nfs/dbraw/zinc/96/29/53/572962953.db2.gz ZIMIVUXYXOKLIP-QMMMGPOBSA-N 0 0 172.231 2.223 10 30 AEEERN C=CCCO[C@@H]1CCCC(=O)C1 86603786 572962278 /nfs/dbraw/zinc/96/22/78/572962278.db2.gz DQYUPQAPDPWRNG-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@H]1Cc2c(ccc(C#N)c2F)N1 713798000 572962288 /nfs/dbraw/zinc/96/22/88/572962288.db2.gz OZTMBIKDHMSGMX-LURJTMIESA-N 0 0 176.194 2.054 10 30 AEEERN C[C@@H]1Cc2c(ccc(C#N)c2F)N1 713798001 572962337 /nfs/dbraw/zinc/96/23/37/572962337.db2.gz OZTMBIKDHMSGMX-ZCFIWIBFSA-N 0 0 176.194 2.054 10 30 AEEERN C#Cc1ccnc(C2(C)CC2)c1 208398075 572962356 /nfs/dbraw/zinc/96/23/56/572962356.db2.gz GNLMRIZCCKZGAR-UHFFFAOYSA-N 0 0 157.216 2.114 10 30 AEEERN C=C1c2ccc(C)cc2CC[C@H]1O 221673595 572962392 /nfs/dbraw/zinc/96/23/92/572962392.db2.gz LVFIGMZXVGXDLW-GFCCVEGCSA-N 0 0 174.243 2.315 10 30 AEEERN C=CC[C@H](NC(=O)C=C)C(C)(C)C 238167583 572962413 /nfs/dbraw/zinc/96/24/13/572962413.db2.gz YRNGKBUWNBDBNV-VIFPVBQESA-N 0 0 181.279 2.279 10 30 AEEERN C=C(C)C(=O)C[Si](C)(C)C 196739453 572962743 /nfs/dbraw/zinc/96/27/43/572962743.db2.gz FEFCVPFUZAEEBC-UHFFFAOYSA-N 0 0 156.301 2.470 10 30 AEEERN C#CC[C@]1(C)CCCCC1=O 196740172 572962962 /nfs/dbraw/zinc/96/29/62/572962962.db2.gz ZCDNDFFJAKABKM-SNVBAGLBSA-N 0 0 150.221 2.159 10 30 AEEERN C#CC[C@@]1(C)CCCCC1=O 196740162 572963000 /nfs/dbraw/zinc/96/30/00/572963000.db2.gz ZCDNDFFJAKABKM-JTQLQIEISA-N 0 0 150.221 2.159 10 30 AEEERN CC(C)n1cnc2ccc(C#N)cc21 76208577 572963134 /nfs/dbraw/zinc/96/31/34/572963134.db2.gz ULNIXUQVIOBVIS-UHFFFAOYSA-N 0 0 185.230 2.489 10 30 AEEERN C=CCCO[C@H]1CCCC(=O)C1 86603787 572963150 /nfs/dbraw/zinc/96/31/50/572963150.db2.gz DQYUPQAPDPWRNG-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CC(C)n1cnc2c(C#N)cccc21 76208580 572963267 /nfs/dbraw/zinc/96/32/67/572963267.db2.gz XZOOCAFOACXSEN-UHFFFAOYSA-N 0 0 185.230 2.489 10 30 AEEERN Cc1c(C#N)ccc2c1C[C@H](C)N2 713799034 572963275 /nfs/dbraw/zinc/96/32/75/572963275.db2.gz ZDAHWFFHPVIJFA-ZETCQYMHSA-N 0 0 172.231 2.223 10 30 AEEERN C=CCC(=O)C[Si](C)(C)C 196739468 572963427 /nfs/dbraw/zinc/96/34/27/572963427.db2.gz UKRAAELIQHIECB-UHFFFAOYSA-N 0 0 156.301 2.470 10 30 AEEERN CO[C@@]1(C#N)CC(C)(C)C[C@H]1C 234942581 572963603 /nfs/dbraw/zinc/96/36/03/572963603.db2.gz RZRWWGLVCKJLJD-PSASIEDQSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@]1(C#N)CC(C)(C)C[C@@H]1C 234942552 572963881 /nfs/dbraw/zinc/96/38/81/572963881.db2.gz RZRWWGLVCKJLJD-WCBMZHEXSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@H]1Cc2ccc(F)c(C#N)c2N1 713798760 572963971 /nfs/dbraw/zinc/96/39/71/572963971.db2.gz WWUZHPBCEKBFCW-LURJTMIESA-N 0 0 176.194 2.054 10 30 AEEERN CC(C)[C@@H]1O[C@@H]1C[C@@H](O)C(C)(C)C 238172193 572964151 /nfs/dbraw/zinc/96/41/51/572964151.db2.gz WZTKGKYIGUZLEP-BBBLOLIVSA-N 0 0 186.295 2.207 10 30 AEEERN C[C@@H]1Cc2ccc(F)c(C#N)c2N1 713798764 572964749 /nfs/dbraw/zinc/96/47/49/572964749.db2.gz WWUZHPBCEKBFCW-ZCFIWIBFSA-N 0 0 176.194 2.054 10 30 AEEERN CC1=C(C(=O)CCC#N)CCC1 59103305 572965245 /nfs/dbraw/zinc/96/52/45/572965245.db2.gz WRJQGYCSFPKFSB-UHFFFAOYSA-N 0 0 163.220 2.360 10 30 AEEERN C=CC[C@@H](N)c1nnc(C=C(C)C)o1 238174730 572965386 /nfs/dbraw/zinc/96/53/86/572965386.db2.gz QOZYRNBUPLGERH-MRVPVSSYSA-N 0 0 193.250 2.069 10 30 AEEERN CN/N=C/c1cccc2ccccc12 59155492 572965521 /nfs/dbraw/zinc/96/55/21/572965521.db2.gz GOVFZFZSFZYDRX-NTEUORMPSA-N 0 0 184.242 2.393 10 30 AEEERN CC#Cc1ccccc1NC(C)=O 222039373 572965906 /nfs/dbraw/zinc/96/59/06/572965906.db2.gz SLMRUUWKPBDOCM-UHFFFAOYSA-N 0 0 173.215 2.016 10 30 AEEERN CC(C)[C@@H]1O[C@H]1C[C@@H](O)C(C)(C)C 238172704 572965991 /nfs/dbraw/zinc/96/59/91/572965991.db2.gz WZTKGKYIGUZLEP-AEJSXWLSSA-N 0 0 186.295 2.207 10 30 AEEERN CN(C)/N=C/c1ccc2ccccc2n1 59166171 572966115 /nfs/dbraw/zinc/96/61/15/572966115.db2.gz JPVSWAHRISKWJW-UKTHLTGXSA-N 0 0 199.257 2.130 10 30 AEEERN CCC#CCCC(=O)CCCC=O 238173849 572966117 /nfs/dbraw/zinc/96/61/17/572966117.db2.gz QXDGFFBZWLERSL-UHFFFAOYSA-N 0 0 180.247 2.118 10 30 AEEERN C=CCCCO[C@@H]1CCC(=O)C1 86620028 572966278 /nfs/dbraw/zinc/96/62/78/572966278.db2.gz OCPGKNPQCMQJKX-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CN/N=C/c1c(F)cccc1Cl 59148458 572966519 /nfs/dbraw/zinc/96/65/19/572966519.db2.gz GFWBMQHKRTWCBP-LFYBBSHMSA-N 0 0 186.617 2.032 10 30 AEEERN CN(/N=C/c1ccc[nH]1)c1ccccc1 59165944 572966574 /nfs/dbraw/zinc/96/65/74/572966574.db2.gz QBZZERWANLYCQO-GXDHUFHOSA-N 0 0 199.257 2.485 10 30 AEEERN CN(C)/N=C/c1ccc2cccnc2c1 59167301 572966944 /nfs/dbraw/zinc/96/69/44/572966944.db2.gz SWDZYMSSSFJPSB-NTEUORMPSA-N 0 0 199.257 2.130 10 30 AEEERN C=CCCC[C@@H](O)CCC(C)(C)O 238178020 572967772 /nfs/dbraw/zinc/96/77/72/572967772.db2.gz NOIMCPQOYVFBNJ-SNVBAGLBSA-N 0 0 186.295 2.255 10 30 AEEERN C=CCC(C)(C)[C@@H](O)CC 59285136 572968029 /nfs/dbraw/zinc/96/80/29/572968029.db2.gz JQOYNBMPLXOFSX-QMMMGPOBSA-N 0 0 142.242 2.360 10 30 AEEERN C=CCCC[C@H](O)CCC(C)(C)O 238177754 572968370 /nfs/dbraw/zinc/96/83/70/572968370.db2.gz NOIMCPQOYVFBNJ-JTQLQIEISA-N 0 0 186.295 2.255 10 30 AEEERN CC[C@H](S)[C@@H](C)S 59221678 572968376 /nfs/dbraw/zinc/96/83/76/572968376.db2.gz RWNVYKFDLQPGLH-UHNVWZDZSA-N 0 0 136.285 2.013 10 30 AEEERN CCCCC1=CC(=O)C=C(C)C1=O 59267972 572968945 /nfs/dbraw/zinc/96/89/45/572968945.db2.gz WXOAGKPPUFBTOH-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN C=CC[C@@H](O)c1ccc(OC)cc1F 88131275 572969167 /nfs/dbraw/zinc/96/91/67/572969167.db2.gz WXQSNHGXRIZZBK-LLVKDONJSA-N 0 0 196.221 2.444 10 30 AEEERN C=CCC(C#N)(C#N)[C@@H](O)C(C)(C)C 238178647 572969392 /nfs/dbraw/zinc/96/93/92/572969392.db2.gz CPXHHMSPGSQOIB-VIFPVBQESA-N 0 0 192.262 2.003 10 30 AEEERN C=CC[C@H](O)/C=C/C[C@@H](O)C(C)(C)C 238178732 572969397 /nfs/dbraw/zinc/96/93/97/572969397.db2.gz XTHWOHVJQIWIJQ-YBFGJNSCSA-N 0 0 198.306 2.277 10 30 AEEERN C=C[C@@H]([NH2+]C)c1ccc(OC)cc1F 88131332 572969665 /nfs/dbraw/zinc/96/96/65/572969665.db2.gz HFUOCFLDYBCELC-LLVKDONJSA-N 0 0 195.237 2.281 10 30 AEEERN C=CC[C@@](C)(CC=O)C(=O)OC(C)C 238179757 572969891 /nfs/dbraw/zinc/96/98/91/572969891.db2.gz SSMPHRAHMKTMHK-NSHDSACASA-N 0 0 198.262 2.109 10 30 AEEERN CC(C)(O)C[C@@H]1[C@@H](CC=O)C1(C)C 238180886 572969770 /nfs/dbraw/zinc/96/97/70/572969770.db2.gz ICTLZWKLAGMKAQ-RKDXNWHRSA-N 0 0 184.279 2.009 10 30 AEEERN C=CCOc1cc(OC)ccc1C#N 88128255 572969888 /nfs/dbraw/zinc/96/98/88/572969888.db2.gz WWLXMXGJCVZMGE-UHFFFAOYSA-N 0 0 189.214 2.132 10 30 AEEERN C=CC[C@](C)(CC=O)C(=O)OC(C)C 238182637 572969900 /nfs/dbraw/zinc/96/99/00/572969900.db2.gz SSMPHRAHMKTMHK-LLVKDONJSA-N 0 0 198.262 2.109 10 30 AEEERN C=CC[C@H](O)c1ccc(OC)cc1F 88131276 572970066 /nfs/dbraw/zinc/97/00/66/572970066.db2.gz WXQSNHGXRIZZBK-NSHDSACASA-N 0 0 196.221 2.444 10 30 AEEERN CC(C)=NOC[C@@H](O)c1cccs1 238178573 572970377 /nfs/dbraw/zinc/97/03/77/572970377.db2.gz DXHIFWXHVRVCPJ-MRVPVSSYSA-N 0 0 199.275 2.194 10 30 AEEERN CC(C)(O)C[C@H]1[C@H](CC=O)C1(C)C 238181731 572970406 /nfs/dbraw/zinc/97/04/06/572970406.db2.gz ICTLZWKLAGMKAQ-IUCAKERBSA-N 0 0 184.279 2.009 10 30 AEEERN CCCC(C#N)C(=O)[C@H]1CC[C@H](C)O1 88141501 572970414 /nfs/dbraw/zinc/97/04/14/572970414.db2.gz OLSIFERTASJKNJ-IVZWLZJFSA-N 0 0 195.262 2.063 10 30 AEEERN C=C[C@H]([NH2+]C)c1ccc(OC)cc1F 88131331 572970523 /nfs/dbraw/zinc/97/05/23/572970523.db2.gz HFUOCFLDYBCELC-NSHDSACASA-N 0 0 195.237 2.281 10 30 AEEERN O/N=C/C1CCCCCC1 59454331 572970846 /nfs/dbraw/zinc/97/08/46/572970846.db2.gz LCAROMHYNWQSTR-VQHVLOKHSA-N 0 0 141.214 2.417 10 30 AEEERN CCC(CC)OCC[C@@H](C)C=O 238181250 572970864 /nfs/dbraw/zinc/97/08/64/572970864.db2.gz WYQRMMBNVAJRFI-SECBINFHSA-N 0 0 172.268 2.417 10 30 AEEERN CC(C)(O)C[C@@H]1[C@H](CC=O)C1(C)C 238181051 572970991 /nfs/dbraw/zinc/97/09/91/572970991.db2.gz ICTLZWKLAGMKAQ-DTWKUNHWSA-N 0 0 184.279 2.009 10 30 AEEERN CO[C@H](C#N)c1cccc(F)c1F 59433695 572970998 /nfs/dbraw/zinc/97/09/98/572970998.db2.gz LOEOQWLQRBLWFA-MRVPVSSYSA-N 0 0 183.157 2.176 10 30 AEEERN C=CCCC[C@@H]1OC(C)(C)O[C@@H]1C=O 238181478 572971221 /nfs/dbraw/zinc/97/12/21/572971221.db2.gz GONHQDRRSAUBKV-VHSXEESVSA-N 0 0 198.262 2.062 10 30 AEEERN CO[C@@H](C#N)c1cccc(F)c1F 59433693 572971185 /nfs/dbraw/zinc/97/11/85/572971185.db2.gz LOEOQWLQRBLWFA-QMMMGPOBSA-N 0 0 183.157 2.176 10 30 AEEERN C=C(CC)/C(=C\CO)[C@H](O)CC(C)C 238181501 572971501 /nfs/dbraw/zinc/97/15/01/572971501.db2.gz BRZRDPYQMUKSMB-IGEMTJHASA-N 0 0 198.306 2.278 10 30 AEEERN CC(C)(O)C[C@H]1[C@@H](CC=O)C1(C)C 238181634 572971556 /nfs/dbraw/zinc/97/15/56/572971556.db2.gz ICTLZWKLAGMKAQ-BDAKNGLRSA-N 0 0 184.279 2.009 10 30 AEEERN C=CCCC[C@@H]1OC(C)(C)O[C@H]1C=O 238181499 572971610 /nfs/dbraw/zinc/97/16/10/572971610.db2.gz GONHQDRRSAUBKV-UWVGGRQHSA-N 0 0 198.262 2.062 10 30 AEEERN CCC(CC)OCC[C@H](C)C=O 238181332 572971634 /nfs/dbraw/zinc/97/16/34/572971634.db2.gz WYQRMMBNVAJRFI-VIFPVBQESA-N 0 0 172.268 2.417 10 30 AEEERN C=C(CCC#CCCO)C(C)C 238183591 572971754 /nfs/dbraw/zinc/97/17/54/572971754.db2.gz RBOLDNRHMTVGEJ-UHFFFAOYSA-N 0 0 166.264 2.365 10 30 AEEERN C=C(C(C)C)[C@H](O)[C@@H](O)C(=C)C(C)C 238184876 572972593 /nfs/dbraw/zinc/97/25/93/572972593.db2.gz YYLUFYYQWURMLD-RYUDHWBXSA-N 0 0 198.306 2.133 10 30 AEEERN C=C(CC[C@H](C)NC(N)=O)C(C)C 238183949 572971989 /nfs/dbraw/zinc/97/19/89/572971989.db2.gz SZMRLONHDNLWSK-VIFPVBQESA-N 0 0 184.283 2.036 10 30 AEEERN CC(=O)CC(C)N=Nc1ccccc1 59514030 572974297 /nfs/dbraw/zinc/97/42/97/572974297.db2.gz RHCJRICJOJVHRI-FMIVXFBMSA-N 0 0 190.246 2.454 10 30 AEEERN CCC1(CC)CN([C@H](C)CC#N)C1 86681209 572972276 /nfs/dbraw/zinc/97/22/76/572972276.db2.gz NCXMOVPWAVPAKF-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C=CC[C@](C)(O)c1ccccc1OC 86712582 572972306 /nfs/dbraw/zinc/97/23/06/572972306.db2.gz SXCNASFFTQEZSX-LBPRGKRZSA-N 0 0 192.258 2.479 10 30 AEEERN COc1ccc(CC=O)cc1Cl 59479798 572972425 /nfs/dbraw/zinc/97/24/25/572972425.db2.gz BCUOPRJCKJWVJT-UHFFFAOYSA-N 0 0 184.622 2.090 10 30 AEEERN C=CC[C@@H](O)c1cncn1C(C)C 86716160 572972447 /nfs/dbraw/zinc/97/24/47/572972447.db2.gz FLOZIVDCZMKCEJ-SNVBAGLBSA-N 0 0 180.251 2.074 10 30 AEEERN C=CC[C@@H](O)c1cccc(COC)c1 86716113 572972457 /nfs/dbraw/zinc/97/24/57/572972457.db2.gz HRIKOVQWZRJTHX-GFCCVEGCSA-N 0 0 192.258 2.443 10 30 AEEERN C=CC[C@]1(O)CCO[C@@H](CCC)C1 86712888 572972490 /nfs/dbraw/zinc/97/24/90/572972490.db2.gz PJHYCIYEKXNPNA-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN C=CC[C@H](O)c1cncn1C(C)C 86716162 572972816 /nfs/dbraw/zinc/97/28/16/572972816.db2.gz FLOZIVDCZMKCEJ-JTQLQIEISA-N 0 0 180.251 2.074 10 30 AEEERN CCCC1CN([C@H](C)CC#N)C1 86681245 572972901 /nfs/dbraw/zinc/97/29/01/572972901.db2.gz PNUNPLIFMAMFSA-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN C=C(C(C)C)[C@@H](O)[C@H](O)C(=C)C(C)C 238184566 572972958 /nfs/dbraw/zinc/97/29/58/572972958.db2.gz YYLUFYYQWURMLD-VXGBXAGGSA-N 0 0 198.306 2.133 10 30 AEEERN C=CC[C@H](O)c1ccc(CC)o1 86712817 572973099 /nfs/dbraw/zinc/97/30/99/572973099.db2.gz XRYISOOWGLUBLE-VIFPVBQESA-N 0 0 166.220 2.452 10 30 AEEERN C=CC[C@H](O)c1ccc(COC)cc1 86716122 572973177 /nfs/dbraw/zinc/97/31/77/572973177.db2.gz RAZHZNRTTPWHTD-LBPRGKRZSA-N 0 0 192.258 2.443 10 30 AEEERN C=CC[C@]1(O)CCO[C@H](CCC)C1 86712886 572973279 /nfs/dbraw/zinc/97/32/79/572973279.db2.gz PJHYCIYEKXNPNA-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN CCC1(CC)CN([C@@H](C)CC#N)C1 86681207 572973286 /nfs/dbraw/zinc/97/32/86/572973286.db2.gz NCXMOVPWAVPAKF-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C=CC[C@@]1(O)CCO[C@@H](CCC)C1 86712891 572973298 /nfs/dbraw/zinc/97/32/98/572973298.db2.gz PJHYCIYEKXNPNA-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN C=C(C(C)C)[C@H](O)[C@H](O)C(=C)C(C)C 238184515 572973366 /nfs/dbraw/zinc/97/33/66/572973366.db2.gz YYLUFYYQWURMLD-TXEJJXNPSA-N 0 0 198.306 2.133 10 30 AEEERN CCC1(CC)CN(C[C@H](C)C#N)C1 86681416 572973387 /nfs/dbraw/zinc/97/33/87/572973387.db2.gz FLKWHJKZARXIQD-SNVBAGLBSA-N 0 0 180.295 2.268 10 30 AEEERN C=CC[C@H](O)c1cccc(COC)c1 86716114 572973468 /nfs/dbraw/zinc/97/34/68/572973468.db2.gz HRIKOVQWZRJTHX-LBPRGKRZSA-N 0 0 192.258 2.443 10 30 AEEERN CCCC1CN([C@H](CC)CC#N)C1 86681528 572973491 /nfs/dbraw/zinc/97/34/91/572973491.db2.gz QLOOEKWLOJUERA-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CCCC1CN([C@@H](CC)CC#N)C1 86681526 572973544 /nfs/dbraw/zinc/97/35/44/572973544.db2.gz QLOOEKWLOJUERA-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CCCCC/C(C)=N/CCO 238186991 572974347 /nfs/dbraw/zinc/97/43/47/572974347.db2.gz ZSUBVWOUXLNLIB-MDZDMXLPSA-N 0 0 157.257 2.020 10 30 AEEERN C=CC[C@@](C)(O)c1ccccc1OC 86712580 572973578 /nfs/dbraw/zinc/97/35/78/572973578.db2.gz SXCNASFFTQEZSX-GFCCVEGCSA-N 0 0 192.258 2.479 10 30 AEEERN CCC(C)(C)OC#CCCC=O 238186248 572973613 /nfs/dbraw/zinc/97/36/13/572973613.db2.gz OKCOAUUIOKCJEE-UHFFFAOYSA-N 0 0 168.236 2.132 10 30 AEEERN C=CC[C@@H](O)c1ccc(CC)o1 86712815 572973621 /nfs/dbraw/zinc/97/36/21/572973621.db2.gz XRYISOOWGLUBLE-SECBINFHSA-N 0 0 166.220 2.452 10 30 AEEERN C=CC[C@H](O)c1ccccc1COC 86716118 572973748 /nfs/dbraw/zinc/97/37/48/572973748.db2.gz UXKMSBUGZBIIOD-LBPRGKRZSA-N 0 0 192.258 2.443 10 30 AEEERN C=CC[C@@]1(O)CCO[C@H](CCC)C1 86712889 572973765 /nfs/dbraw/zinc/97/37/65/572973765.db2.gz PJHYCIYEKXNPNA-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN CCC1(CC)CN(C[C@@H](C)C#N)C1 86681414 572973775 /nfs/dbraw/zinc/97/37/75/572973775.db2.gz FLKWHJKZARXIQD-JTQLQIEISA-N 0 0 180.295 2.268 10 30 AEEERN C=CC[C@@H](O)c1ccc(COC)cc1 86716120 572973942 /nfs/dbraw/zinc/97/39/42/572973942.db2.gz RAZHZNRTTPWHTD-GFCCVEGCSA-N 0 0 192.258 2.443 10 30 AEEERN CCCC1CN([C@@H](C)CC#N)C1 86681243 572973964 /nfs/dbraw/zinc/97/39/64/572973964.db2.gz PNUNPLIFMAMFSA-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN CCC(=O)C(C(=O)CC)=C(C)C 238188410 572974052 /nfs/dbraw/zinc/97/40/52/572974052.db2.gz AGMKSIIOFKENFU-UHFFFAOYSA-N 0 0 168.236 2.281 10 30 AEEERN CCCCCC(F)(F)C#CC=O 238186500 572974058 /nfs/dbraw/zinc/97/40/58/572974058.db2.gz MCMBSHJINBEROG-UHFFFAOYSA-N 0 0 174.190 2.404 10 30 AEEERN CCCCCC/C=C/[C@H](O)CCO 238188457 572974108 /nfs/dbraw/zinc/97/41/08/572974108.db2.gz DNTJTHUBNCSUSW-AEZGRPFRSA-N 0 0 186.295 2.256 10 30 AEEERN CC(C)=CC(O)=CC(=O)C(C)C 238188353 572974142 /nfs/dbraw/zinc/97/41/42/572974142.db2.gz YFXIINDAZHHJOX-UHFFFAOYSA-N 0 0 168.236 2.137 10 30 AEEERN C[C@H](C#N)Nc1ccc(F)c(C#N)c1 51636341 572975330 /nfs/dbraw/zinc/97/53/30/572975330.db2.gz ZXLLCYGGRHECKZ-SSDOTTSWSA-N 0 0 189.193 2.021 10 30 AEEERN CCCCCC/C=C/C[C@@H](O)CO 238187878 572975427 /nfs/dbraw/zinc/97/54/27/572975427.db2.gz BTJFLZJGIAVMSS-WSKFYRRCSA-N 0 0 186.295 2.256 10 30 AEEERN CCCCCC/C=C(/CO)OC 238187379 572975734 /nfs/dbraw/zinc/97/57/34/572975734.db2.gz QWIDNWDUSLMHTK-NTMALXAHSA-N 0 0 172.268 2.479 10 30 AEEERN Cc1cc(C#N)cc(C#N)c1C 199961043 572975772 /nfs/dbraw/zinc/97/57/72/572975772.db2.gz LAWILYMDMLNTLZ-UHFFFAOYSA-N 0 0 156.188 2.047 10 30 AEEERN C=C(C(=O)CC)[C@@H](O)C(C)(C)CC 238188631 572976946 /nfs/dbraw/zinc/97/69/46/572976946.db2.gz NCVMAHOSLMLARP-SNVBAGLBSA-N 0 0 184.279 2.319 10 30 AEEERN CCc1ccc(CC[C@@H](C)C=O)nc1 86738040 572975831 /nfs/dbraw/zinc/97/58/31/572975831.db2.gz RHFOXESJUMFRRY-SNVBAGLBSA-N 0 0 191.274 2.412 10 30 AEEERN CC[C@@H]1CCC=C(C)C1=O 59563334 572976032 /nfs/dbraw/zinc/97/60/32/572976032.db2.gz LGIFDCBKGOFOAL-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@H](C)C(=O)C[C@H](C)C#N 51690442 572976087 /nfs/dbraw/zinc/97/60/87/572976087.db2.gz KSSQFFORAMPVLB-JGVFFNPUSA-N 0 0 153.225 2.151 10 30 AEEERN C=Cc1ccc(CS)cn1 59544863 572976099 /nfs/dbraw/zinc/97/60/99/572976099.db2.gz KBDPYONTULVGDM-UHFFFAOYSA-N 0 0 151.234 2.154 10 30 AEEERN CC[C@@H](CC#N)C(=O)C(C)C 51690458 572976148 /nfs/dbraw/zinc/97/61/48/572976148.db2.gz GBWMIVCSUTXOCR-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN CCCCCC/C=C/C[C@H](O)CO 238187970 572976239 /nfs/dbraw/zinc/97/62/39/572976239.db2.gz BTJFLZJGIAVMSS-AEZGRPFRSA-N 0 0 186.295 2.256 10 30 AEEERN CCc1ccc(C#N)s1 51716773 572976311 /nfs/dbraw/zinc/97/63/11/572976311.db2.gz VEVWYMARKUVNQM-UHFFFAOYSA-N 0 0 137.207 2.182 10 30 AEEERN CCc1ccc([C@H](C#N)NC)s1 51719702 572976374 /nfs/dbraw/zinc/97/63/74/572976374.db2.gz VGCLXEFWNIIJHA-QMMMGPOBSA-N 0 0 180.276 2.095 10 30 AEEERN CCc1ccc(CCCC=O)nc1 86737998 572976497 /nfs/dbraw/zinc/97/64/97/572976497.db2.gz OTIVLVWPSYIGAK-UHFFFAOYSA-N 0 0 177.247 2.166 10 30 AEEERN CC[C@@H](C)C(=O)C[C@@H](C)C#N 51690440 572976528 /nfs/dbraw/zinc/97/65/28/572976528.db2.gz KSSQFFORAMPVLB-HTQZYQBOSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C)C(=O)[C@@H](C)CC#N 51690431 572976582 /nfs/dbraw/zinc/97/65/82/572976582.db2.gz DVDNKHQIIHSGPZ-YUMQZZPRSA-N 0 0 153.225 2.151 10 30 AEEERN CCCCCC1=C(C)[C@@H](CO)CC1=O 238189232 572976757 /nfs/dbraw/zinc/97/67/57/572976757.db2.gz KKKKUHMOJWFYBZ-SNVBAGLBSA-N 0 0 196.290 2.465 10 30 AEEERN CC[C@@H](C)C(=O)[C@@H](C)CC#N 51690430 572976797 /nfs/dbraw/zinc/97/67/97/572976797.db2.gz DVDNKHQIIHSGPZ-SFYZADRCSA-N 0 0 153.225 2.151 10 30 AEEERN CCC(C)(C)[C@@H](O)CCCC=O 238189737 572976912 /nfs/dbraw/zinc/97/69/12/572976912.db2.gz NSRAGLIYEXIPBO-VIFPVBQESA-N 0 0 172.268 2.153 10 30 AEEERN Cc1cnc(CC[C@@H](C)C#N)c(N)c1 59584329 572976935 /nfs/dbraw/zinc/97/69/35/572976935.db2.gz GNYCKAXIOQDCNT-MRVPVSSYSA-N 0 0 189.262 2.065 10 30 AEEERN CC[C@H](C)C(=O)C[C@H](C)C#N 51690443 572977138 /nfs/dbraw/zinc/97/71/38/572977138.db2.gz KSSQFFORAMPVLB-YUMQZZPRSA-N 0 0 153.225 2.151 10 30 AEEERN CC1(C)CC(CCCC=O)=CC1=O 238188317 572977146 /nfs/dbraw/zinc/97/71/46/572977146.db2.gz XLUPSNWBJYKTSL-UHFFFAOYSA-N 0 0 180.247 2.281 10 30 AEEERN C=C(C(=O)CC)[C@H](O)C(C)(C)CC 238188670 572977159 /nfs/dbraw/zinc/97/71/59/572977159.db2.gz NCVMAHOSLMLARP-JTQLQIEISA-N 0 0 184.279 2.319 10 30 AEEERN CCCCCC1=C(C)C(=O)C[C@H]1O 238189023 572977174 /nfs/dbraw/zinc/97/71/74/572977174.db2.gz DGYVBFWZSQCPJP-LLVKDONJSA-N 0 0 182.263 2.217 10 30 AEEERN CCCCCCOCCCC#CCO 238192169 572977231 /nfs/dbraw/zinc/97/72/31/572977231.db2.gz ODOIYTLIVJIIAR-UHFFFAOYSA-N 0 0 198.306 2.359 10 30 AEEERN C#C[C@@H](O)/C=C/C=C/CCCC 238190874 572977266 /nfs/dbraw/zinc/97/72/66/572977266.db2.gz KKZJBGUFPSUGHZ-GHANIAJISA-N 0 0 164.248 2.283 10 30 AEEERN CC[C@H](C)C(=O)C[C@@H](C)C#N 51690441 572977268 /nfs/dbraw/zinc/97/72/68/572977268.db2.gz KSSQFFORAMPVLB-SFYZADRCSA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)C(=O)CCCCC#N 238188987 572977394 /nfs/dbraw/zinc/97/73/94/572977394.db2.gz JDQUAGFCFHTAQM-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN CCC(=O)C(C)(C)[C@H](C)CC=O 238190357 572977424 /nfs/dbraw/zinc/97/74/24/572977424.db2.gz URNJKXXZYADKGC-MRVPVSSYSA-N 0 0 170.252 2.217 10 30 AEEERN CCCCC[NH2+][C@@H](C=O)CC(C)C 238190540 572977441 /nfs/dbraw/zinc/97/74/41/572977441.db2.gz PBDIMMGIYMEDDE-LLVKDONJSA-N 0 0 185.311 2.380 10 30 AEEERN CCCCC[NH2+][C@H](C=O)CC(C)C 238190102 572977467 /nfs/dbraw/zinc/97/74/67/572977467.db2.gz PBDIMMGIYMEDDE-NSHDSACASA-N 0 0 185.311 2.380 10 30 AEEERN C/C=C/C(=O)c1ccccc1C=O 59633426 572977471 /nfs/dbraw/zinc/97/74/71/572977471.db2.gz DHWHKKBHNYZVCJ-GORDUTHDSA-N 0 0 174.199 2.258 10 30 AEEERN C=CCCC[C@H]1OC(C)(C)O[C@H]1C=O 238188319 572977474 /nfs/dbraw/zinc/97/74/74/572977474.db2.gz GONHQDRRSAUBKV-ZJUUUORDSA-N 0 0 198.262 2.062 10 30 AEEERN C#C[C@](C)(OCCCCCC)[C@@H](C)O 238195180 572978403 /nfs/dbraw/zinc/97/84/03/572978403.db2.gz PPJKEJDVWMAPKJ-NEPJUHHUSA-N 0 0 198.306 2.356 10 30 AEEERN CCCn1ccnc1CC[C@@H](C)C=O 86753740 572977562 /nfs/dbraw/zinc/97/75/62/572977562.db2.gz XGIBJEUHPWXMOR-SNVBAGLBSA-N 0 0 194.278 2.061 10 30 AEEERN CC(C)[C@H]1C(=O)C=C[C@@H]1C 196581334 572977591 /nfs/dbraw/zinc/97/75/91/572977591.db2.gz GSTLFBNKYPJCNC-IONNQARKSA-N 0 0 138.210 2.034 10 30 AEEERN CC1=C2C(=O)C[C@H](C)[C@@H]2CC1 196581014 572977805 /nfs/dbraw/zinc/97/78/05/572977805.db2.gz QQOUPKUCNXOTFI-YUMQZZPRSA-N 0 0 150.221 2.322 10 30 AEEERN CCCCCC1=C(C)[C@H](CO)CC1=O 238189321 572977827 /nfs/dbraw/zinc/97/78/27/572977827.db2.gz KKKKUHMOJWFYBZ-JTQLQIEISA-N 0 0 196.290 2.465 10 30 AEEERN CCC(=O)C(C)(C)[C@@H](C)CC=O 238190223 572977844 /nfs/dbraw/zinc/97/78/44/572977844.db2.gz URNJKXXZYADKGC-QMMMGPOBSA-N 0 0 170.252 2.217 10 30 AEEERN CC(=O)[C@H](C#N)c1cccc2[nH]ccc12 238192147 572977856 /nfs/dbraw/zinc/97/78/56/572977856.db2.gz GRXRLECRGCJMDM-NSHDSACASA-N 0 0 198.225 2.364 10 30 AEEERN C[C@@H]1CC[C@H]2C=CC(=O)[C@@]21C 196581434 572977867 /nfs/dbraw/zinc/97/78/67/572977867.db2.gz QSFXIRAVTYTMEY-KHQFGBGNSA-N 0 0 150.221 2.178 10 30 AEEERN CCCCCCN[C@H](C#N)C(=O)CC 238188951 572977902 /nfs/dbraw/zinc/97/79/02/572977902.db2.gz BFEIOJQSHLZYSJ-SNVBAGLBSA-N 0 0 196.294 2.028 10 30 AEEERN CCCCCC1=C[C@@H](CCO)CC1=O 238190163 572977911 /nfs/dbraw/zinc/97/79/11/572977911.db2.gz BSFZPVGYKMPCCS-SNVBAGLBSA-N 0 0 196.290 2.465 10 30 AEEERN CCCCCC/C=C/[C@@H](O)CCO 238188234 572977958 /nfs/dbraw/zinc/97/79/58/572977958.db2.gz DNTJTHUBNCSUSW-WSKFYRRCSA-N 0 0 186.295 2.256 10 30 AEEERN C#C[C@H](O)/C=C/C=C/CCCC 238190777 572978001 /nfs/dbraw/zinc/97/80/01/572978001.db2.gz KKZJBGUFPSUGHZ-DUGZHFMMSA-N 0 0 164.248 2.283 10 30 AEEERN CC(C)C(=O)CCCCCC=O 238189025 572978022 /nfs/dbraw/zinc/97/80/22/572978022.db2.gz NYKYJBICYIZBAE-UHFFFAOYSA-N 0 0 170.252 2.361 10 30 AEEERN C=C(C)[C@H](O)C[Si](C)(C)C 196581676 572978030 /nfs/dbraw/zinc/97/80/30/572978030.db2.gz NEENKQNVKNYADI-MRVPVSSYSA-N 0 0 158.317 2.262 10 30 AEEERN CCCCCC1=CC[C@H](CCO)C1=O 238190001 572978122 /nfs/dbraw/zinc/97/81/22/572978122.db2.gz PFBOXDXVSWBGCG-LLVKDONJSA-N 0 0 196.290 2.465 10 30 AEEERN CCCCCCCCNO 59726385 572978724 /nfs/dbraw/zinc/97/87/24/572978724.db2.gz PPTZICILESENML-UHFFFAOYSA-N 0 0 145.246 2.326 10 30 AEEERN CCCCCC1=C(C)C(=O)C[C@@H]1O 238189006 572978221 /nfs/dbraw/zinc/97/82/21/572978221.db2.gz DGYVBFWZSQCPJP-NSHDSACASA-N 0 0 182.263 2.217 10 30 AEEERN Cc1ccccc1CCN[C@@H](C)C#N 86762993 572978548 /nfs/dbraw/zinc/97/85/48/572978548.db2.gz KNFFLWGTQQJBKQ-NSHDSACASA-N 0 0 188.274 2.039 10 30 AEEERN CCCn1ccnc1CC[C@H](C)C=O 86753743 572978596 /nfs/dbraw/zinc/97/85/96/572978596.db2.gz XGIBJEUHPWXMOR-JTQLQIEISA-N 0 0 194.278 2.061 10 30 AEEERN C=C[C@H]1C(=O)N[C@H]1/C=C/CCCC 238193119 572979204 /nfs/dbraw/zinc/97/92/04/572979204.db2.gz VRWNFGQTOOFAHK-PSFRMBJNSA-N 0 0 179.263 2.033 10 30 AEEERN COc1cccc(OC)c1[C@@H](C)C=O 713813325 572978792 /nfs/dbraw/zinc/97/87/92/572978792.db2.gz NZDPYQFBHFOTMA-QMMMGPOBSA-N 0 0 194.230 2.006 10 30 AEEERN C=CC[C@@H](CCC#N)C(C)=O 238192975 572978805 /nfs/dbraw/zinc/97/88/05/572978805.db2.gz AEVXRWGOHXYHIO-VIFPVBQESA-N 0 0 151.209 2.071 10 30 AEEERN CC1=C2C(=O)C[C@@H](C)[C@@H]2CC1 196581003 572978855 /nfs/dbraw/zinc/97/88/55/572978855.db2.gz QQOUPKUCNXOTFI-SFYZADRCSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=C2C(=O)C[C@@H](C)[C@H]2CC1 196581026 572978870 /nfs/dbraw/zinc/97/88/70/572978870.db2.gz QQOUPKUCNXOTFI-HTQZYQBOSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)[C@@H]1C(=O)N[C@H]1/C=C/CCCC 238193135 572978874 /nfs/dbraw/zinc/97/88/74/572978874.db2.gz HOVPECDEBBUUHL-IJUHFESZSA-N 0 0 193.290 2.424 10 30 AEEERN CCCCCCC#C[C@@](C)(O)[C@@H](C)O 238193599 572978877 /nfs/dbraw/zinc/97/88/77/572978877.db2.gz APZPBDFQFWLGAN-VXGBXAGGSA-N 0 0 198.306 2.092 10 30 AEEERN CC(C)[C@@H]1C(=O)C=C[C@H]1C 196581345 572979035 /nfs/dbraw/zinc/97/90/35/572979035.db2.gz GSTLFBNKYPJCNC-APPZFPTMSA-N 0 0 138.210 2.034 10 30 AEEERN Cc1ccccc1CCN[C@H](C)C#N 86762995 572979090 /nfs/dbraw/zinc/97/90/90/572979090.db2.gz KNFFLWGTQQJBKQ-LLVKDONJSA-N 0 0 188.274 2.039 10 30 AEEERN CCCCCCC#C[C@@](C)(O)[C@H](C)O 238193617 572979106 /nfs/dbraw/zinc/97/91/06/572979106.db2.gz APZPBDFQFWLGAN-NWDGAFQWSA-N 0 0 198.306 2.092 10 30 AEEERN CC(C)[C@@H]1C(=O)C=C[C@@H]1C 196581358 572979126 /nfs/dbraw/zinc/97/91/26/572979126.db2.gz GSTLFBNKYPJCNC-CBAPKCEASA-N 0 0 138.210 2.034 10 30 AEEERN CCCCCCC#C[C@@H](O)[C@H](C)C=O 238193420 572979164 /nfs/dbraw/zinc/97/91/64/572979164.db2.gz HMUFPOUKCUCSPL-VXGBXAGGSA-N 0 0 196.290 2.156 10 30 AEEERN C=C(C)[C@@H](O)C[Si](C)(C)C 196581685 572979175 /nfs/dbraw/zinc/97/91/75/572979175.db2.gz NEENKQNVKNYADI-QMMMGPOBSA-N 0 0 158.317 2.262 10 30 AEEERN CCCCCCC(=O)C(=O)CCC=O 238195306 572979180 /nfs/dbraw/zinc/97/91/80/572979180.db2.gz NGSNACPSHQYPMW-UHFFFAOYSA-N 0 0 198.262 2.074 10 30 AEEERN C=C[C@@H]1C(=O)N[C@@H]1/C=C/CCCC 238194274 572979185 /nfs/dbraw/zinc/97/91/85/572979185.db2.gz VRWNFGQTOOFAHK-ACMYFRETSA-N 0 0 179.263 2.033 10 30 AEEERN C=C(CCCCCC)NC(N)=O 238194857 572979549 /nfs/dbraw/zinc/97/95/49/572979549.db2.gz BBCBTGFKGKFQRR-UHFFFAOYSA-N 0 0 170.256 2.139 10 30 AEEERN CC(C)CC(=O)[C@H](CC=O)C(C)C 196583818 572979605 /nfs/dbraw/zinc/97/96/05/572979605.db2.gz IVQBUUBWFJJVLV-SNVBAGLBSA-N 0 0 184.279 2.463 10 30 AEEERN CC(C)(C)CC(=O)CCC#N 196582982 572979610 /nfs/dbraw/zinc/97/96/10/572979610.db2.gz MDJBTUSQPJZKCW-UHFFFAOYSA-N 0 0 153.225 2.295 10 30 AEEERN CCCCCCC#C[C@@H](O)[C@@H](C)C=O 238193382 572979805 /nfs/dbraw/zinc/97/98/05/572979805.db2.gz HMUFPOUKCUCSPL-NWDGAFQWSA-N 0 0 196.290 2.156 10 30 AEEERN CC(O)=C(C=O)CCc1ccccc1 238193235 572979812 /nfs/dbraw/zinc/97/98/12/572979812.db2.gz JJRDFDBPSBEHFA-GFCCVEGCSA-N 0 0 190.242 2.023 10 30 AEEERN C=C[C@@H]1C(=O)N[C@H]1/C=C/CCCC 238193148 572979821 /nfs/dbraw/zinc/97/98/21/572979821.db2.gz VRWNFGQTOOFAHK-GOPXOUGQSA-N 0 0 179.263 2.033 10 30 AEEERN C=C(CC)COc1ccc(C=O)nc1 86792218 572981447 /nfs/dbraw/zinc/98/14/47/572981447.db2.gz RZSOLFQVSKNAAP-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN C=CCCCOc1ccc(C=O)nc1 86792312 572981567 /nfs/dbraw/zinc/98/15/67/572981567.db2.gz GYBLWEHNYVLNPX-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN C=C(Cl)COc1ccc(C=O)nc1 86792399 572981589 /nfs/dbraw/zinc/98/15/89/572981589.db2.gz DLGRWZDNXIWNRI-UHFFFAOYSA-N 0 0 197.621 2.025 10 30 AEEERN C#CC[C@@H]([NH3+])C(=O)CCCCCC=C 236313020 572983924 /nfs/dbraw/zinc/98/39/24/572983924.db2.gz DSYPFZLPRYPOCL-LLVKDONJSA-N 0 0 193.290 2.043 10 30 AEEERN C[C@H]1C[C@H]1c1ccc(CC#N)o1 51952488 572985425 /nfs/dbraw/zinc/98/54/25/572985425.db2.gz AQSOHBUOBCKRBJ-IONNQARKSA-N 0 0 161.204 2.469 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc(CC#N)o1 51952486 572985510 /nfs/dbraw/zinc/98/55/10/572985510.db2.gz AQSOHBUOBCKRBJ-VXNVDRBHSA-N 0 0 161.204 2.469 10 30 AEEERN C=C[C@H](CC(N)=O)c1ccc(C)cc1 35077340 572985658 /nfs/dbraw/zinc/98/56/58/572985658.db2.gz WISWPPUCCRJTNP-SNVBAGLBSA-N 0 0 189.258 2.140 10 30 AEEERN Cc1cc(CC#N)c(C)s1 51952480 572986632 /nfs/dbraw/zinc/98/66/32/572986632.db2.gz KLAHSLHBHALDBD-UHFFFAOYSA-N 0 0 151.234 2.431 10 30 AEEERN C=C(CC)C[C@H](O)[C@@H](C)[C@@H](O)CC 308216706 572992693 /nfs/dbraw/zinc/99/26/93/572992693.db2.gz MPZCHNCNIZHMKK-DCAQKATOSA-N 0 0 186.295 2.111 10 30 AEEERN Cc1cc(C#N)cc([C@H](C)CO)c1C 258207556 572992885 /nfs/dbraw/zinc/99/28/85/572992885.db2.gz ZBUVYVKJYYOMSX-SECBINFHSA-N 0 0 189.258 2.271 10 30 AEEERN Cc1c(C=O)c2c(C#N)cccc2n1C 257922119 572992705 /nfs/dbraw/zinc/99/27/05/572992705.db2.gz YGYFLGREOPQCCE-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN CCC[C@@]1(C2CC2)CC[C@H](C=O)O1 308215799 572992964 /nfs/dbraw/zinc/99/29/64/572992964.db2.gz ZQLOSJOKVOGTQK-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN C=C(CC)C[C@H](O)[C@H](C)[C@H](O)CC 308216710 572992491 /nfs/dbraw/zinc/99/24/91/572992491.db2.gz MPZCHNCNIZHMKK-MXWKQRLJSA-N 0 0 186.295 2.111 10 30 AEEERN C#C[C@H](CC)OC(=O)CCCC=C 308216697 572992678 /nfs/dbraw/zinc/99/26/78/572992678.db2.gz AISFIVUUVMXIHF-SNVBAGLBSA-N 0 0 180.247 2.298 10 30 AEEERN COc1cccc(O)c1[C@H](C)CC=O 258207530 572992739 /nfs/dbraw/zinc/99/27/39/572992739.db2.gz ZBIJOHZVMWGBIC-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN C#C[C@@H](CC)OC(=O)CCCC=C 308216694 572992845 /nfs/dbraw/zinc/99/28/45/572992845.db2.gz AISFIVUUVMXIHF-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN C[C@H](CC#N)Sc1ncco1 235435204 572992996 /nfs/dbraw/zinc/99/29/96/572992996.db2.gz DINPVOXCPFXIKP-ZCFIWIBFSA-N 0 0 168.221 2.069 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)NCC(C)C 308132446 572993012 /nfs/dbraw/zinc/99/30/12/572993012.db2.gz BWAWQACVEBLLMQ-UWVGGRQHSA-N 0 0 183.295 2.217 10 30 AEEERN O=CCC(F)(F)c1ccccc1O 257917062 572993013 /nfs/dbraw/zinc/99/30/13/572993013.db2.gz RAKGLCGCMIXUFC-UHFFFAOYSA-N 0 0 186.157 2.073 10 30 AEEERN O=C[C@@H]1CC[C@H]1c1ccc(O)cc1 257917088 572993055 /nfs/dbraw/zinc/99/30/55/572993055.db2.gz RAWSEEWMNQSYBP-ONGXEEELSA-N 0 0 176.215 2.085 10 30 AEEERN C=CCC[C@@H](O)C[C@H]1CCCCO1 128267444 572993152 /nfs/dbraw/zinc/99/31/52/572993152.db2.gz UAMMTCMEBZZWIX-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN CCC[C@@]1(C2CC2)CC[C@@H](C=O)O1 308215803 572993166 /nfs/dbraw/zinc/99/31/66/572993166.db2.gz ZQLOSJOKVOGTQK-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN Cn1c(CC=O)cc2ccc(F)cc21 258208202 572993454 /nfs/dbraw/zinc/99/34/54/572993454.db2.gz ONICLHLGAFXPMS-UHFFFAOYSA-N 0 0 191.205 2.059 10 30 AEEERN SCc1cnc2cccc(Cl)n12 258468485 572993528 /nfs/dbraw/zinc/99/35/28/572993528.db2.gz HMNRFGIBMYELGF-UHFFFAOYSA-N 0 0 198.678 2.418 10 30 AEEERN O=C[C@@H]1CC[C@@H]1c1ccc(O)cc1 257917079 572993508 /nfs/dbraw/zinc/99/35/08/572993508.db2.gz RAWSEEWMNQSYBP-GXSJLCMTSA-N 0 0 176.215 2.085 10 30 AEEERN CC[C@H](C#N)NCCSCC1CC1 308216775 572993569 /nfs/dbraw/zinc/99/35/69/572993569.db2.gz AKHCDTHMPMTYNV-SNVBAGLBSA-N 0 0 198.335 2.021 10 30 AEEERN CC(C)(C)n1cccc1[C@H](N)CC#N 104524429 572993588 /nfs/dbraw/zinc/99/35/88/572993588.db2.gz MDNASKVCEVEVHC-SECBINFHSA-N 0 0 191.278 2.157 10 30 AEEERN C=C1C(=O)[C@H]2C[C@@H]1C(C)(C)[C@H]2C 104531137 572994462 /nfs/dbraw/zinc/99/44/62/572994462.db2.gz DISOLEWBNUXPRE-CIUDSAMLSA-N 0 0 164.248 2.424 10 30 AEEERN CCc1cccc([C@H](N)CC#N)c1 104524519 572993727 /nfs/dbraw/zinc/99/37/27/572993727.db2.gz VRCPXHOZDJXBEK-LLVKDONJSA-N 0 0 174.247 2.162 10 30 AEEERN N#CCCCc1cccc(O)c1 104526825 572993749 /nfs/dbraw/zinc/99/37/49/572993749.db2.gz PSGJAKDMLACYON-UHFFFAOYSA-N 0 0 161.204 2.238 10 30 AEEERN COc1ccccc1[C@@H](F)CC=O 257917055 572993826 /nfs/dbraw/zinc/99/38/26/572993826.db2.gz RAIBBLXTGNRVDF-VIFPVBQESA-N 0 0 182.194 2.295 10 30 AEEERN Cc1coc(S[C@H](C)CC#N)n1 235435138 572994812 /nfs/dbraw/zinc/99/48/12/572994812.db2.gz WNHFVEBUEYYKAK-SSDOTTSWSA-N 0 0 182.248 2.377 10 30 AEEERN COc1ccccc1[C@H](F)CC=O 257917053 572994128 /nfs/dbraw/zinc/99/41/28/572994128.db2.gz RAIBBLXTGNRVDF-SECBINFHSA-N 0 0 182.194 2.295 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CCSC1 308217102 572994237 /nfs/dbraw/zinc/99/42/37/572994237.db2.gz AOKXIWABQQAOQJ-SECBINFHSA-N 0 0 199.319 2.122 10 30 AEEERN Cc1cc(C)c([C@@H](C)O)cc1C#N 257916794 572994380 /nfs/dbraw/zinc/99/43/80/572994380.db2.gz BPHBTWYGKBMVNC-SECBINFHSA-N 0 0 175.231 2.228 10 30 AEEERN CCC[C@]1(C2CC2)CC[C@H](C=O)O1 308215796 572995020 /nfs/dbraw/zinc/99/50/20/572995020.db2.gz ZQLOSJOKVOGTQK-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN COc1cc(C#N)cc(Cl)c1F 258205258 572994474 /nfs/dbraw/zinc/99/44/74/572994474.db2.gz YVIZAWZCGKXKGJ-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CSc1cccc([C@H](N)CC#N)c1 104524524 572994487 /nfs/dbraw/zinc/99/44/87/572994487.db2.gz ODXYZSXEYJYMPV-SNVBAGLBSA-N 0 0 192.287 2.322 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CCSC1 308217103 572994522 /nfs/dbraw/zinc/99/45/22/572994522.db2.gz AOKXIWABQQAOQJ-VIFPVBQESA-N 0 0 199.319 2.122 10 30 AEEERN Cc1cc(C#N)cc([C@@H](C)CO)c1C 258207559 572994575 /nfs/dbraw/zinc/99/45/75/572994575.db2.gz ZBUVYVKJYYOMSX-VIFPVBQESA-N 0 0 189.258 2.271 10 30 AEEERN C=C(CC)C(=O)C(=C)CC 113268316 572994579 /nfs/dbraw/zinc/99/45/79/572994579.db2.gz XZRPCNZFAJWRPP-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN COc1c(C)cc(CCC=O)cc1F 258207439 572995026 /nfs/dbraw/zinc/99/50/26/572995026.db2.gz YZPQLZSWBFMKCZ-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CCCCC1=C[C@H]2C(=O)C=C[C@@H]12 238241209 572994669 /nfs/dbraw/zinc/99/46/69/572994669.db2.gz SXMYZFGTHFQTCF-VHSXEESVSA-N 0 0 162.232 2.488 10 30 AEEERN CCC1=CC[C@@H]2C(=O)C=C(O)[C@@H]2C1 238241299 572994749 /nfs/dbraw/zinc/99/47/49/572994749.db2.gz FZAAAVDYJNLASN-DTWKUNHWSA-N 0 0 178.231 2.374 10 30 AEEERN O=CC1CCC2(CC1)CC2(F)F 257922253 572995043 /nfs/dbraw/zinc/99/50/43/572995043.db2.gz RPKJYPDUIGYMDQ-UHFFFAOYSA-N 0 0 174.190 2.401 10 30 AEEERN C=C[C@H]1C=C(CC)C(=O)[C@@H]1C 238242056 572995070 /nfs/dbraw/zinc/99/50/70/572995070.db2.gz GNXLJRWNRGBWEK-SFYZADRCSA-N 0 0 150.221 2.344 10 30 AEEERN CCCCC1=C[C@@H]2C(=O)C=C[C@@H]12 238241565 572995080 /nfs/dbraw/zinc/99/50/80/572995080.db2.gz SXMYZFGTHFQTCF-UWVGGRQHSA-N 0 0 162.232 2.488 10 30 AEEERN C=C(C[C@H](O)CC(C)C)[C@H](C)OC 223855848 572995110 /nfs/dbraw/zinc/99/51/10/572995110.db2.gz GWMPPZZSEMXYLR-WDEREUQCSA-N 0 0 186.295 2.375 10 30 AEEERN Cc1n[nH]c2ccc(CCC=O)cc12 258207464 572995170 /nfs/dbraw/zinc/99/51/70/572995170.db2.gz ZAMAVTAVCPWUMB-UHFFFAOYSA-N 0 0 188.230 2.003 10 30 AEEERN CCC1=CC[C@H]2C(=O)C=C(O)[C@H]2C1 238241100 572995187 /nfs/dbraw/zinc/99/51/87/572995187.db2.gz FZAAAVDYJNLASN-BDAKNGLRSA-N 0 0 178.231 2.374 10 30 AEEERN CCCCC1=C[C@@H]2C(=O)C=C[C@H]12 238241543 572995231 /nfs/dbraw/zinc/99/52/31/572995231.db2.gz SXMYZFGTHFQTCF-ZJUUUORDSA-N 0 0 162.232 2.488 10 30 AEEERN CCC1=CC[C@H](C)CC1=O 238241233 572995252 /nfs/dbraw/zinc/99/52/52/572995252.db2.gz DFKYSRLHXMVXJA-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C[C@H](O)C[C@H]1CCCCO1 128270967 572995605 /nfs/dbraw/zinc/99/56/05/572995605.db2.gz LHOXYOOESLJUEJ-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN COc1cccc(O)c1[C@@H](C)CC=O 258207532 572995274 /nfs/dbraw/zinc/99/52/74/572995274.db2.gz ZBIJOHZVMWGBIC-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN CCC1=CC[C@@H](C)CC1=O 238240596 572995404 /nfs/dbraw/zinc/99/54/04/572995404.db2.gz DFKYSRLHXMVXJA-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN CC1(C)C[C@H]2C(=O)CCC[C@@]21C#N 238240764 572995441 /nfs/dbraw/zinc/99/54/41/572995441.db2.gz HRSXFPPXZQJZTP-GZMMTYOYSA-N 0 0 177.247 2.295 10 30 AEEERN CC1(C)C[C@H]2C=CC(=O)[C@@H]2C1 238240879 572995467 /nfs/dbraw/zinc/99/54/67/572995467.db2.gz YEPVCZSUVSKIRZ-HTQZYQBOSA-N 0 0 150.221 2.178 10 30 AEEERN CC1(C)C[C@H]2CCC[C@@]21C=O 238241532 572995674 /nfs/dbraw/zinc/99/56/74/572995674.db2.gz RTARYTYUIWNRDM-PSASIEDQSA-N 0 0 152.237 2.402 10 30 AEEERN N#Cc1c(F)cc(F)c2c1OCCC2 258207461 572995531 /nfs/dbraw/zinc/99/55/31/572995531.db2.gz ZAEHWDXNLVZHOW-UHFFFAOYSA-N 0 0 195.168 2.161 10 30 AEEERN C=C1C(=O)[C@H]2C[C@@H]1C(C)(C)[C@@H]2C 104531132 572995613 /nfs/dbraw/zinc/99/56/13/572995613.db2.gz DISOLEWBNUXPRE-VGMNWLOBSA-N 0 0 164.248 2.424 10 30 AEEERN C[C@@H](C#N)OC(=O)/C=C\C(C)(C)C 308218321 572995704 /nfs/dbraw/zinc/99/57/04/572995704.db2.gz AZGCYZGKRYNIIY-SLGIHZDVSA-N 0 0 181.235 2.044 10 30 AEEERN C=C[C@H]1C=C(CC)C(=O)[C@H]1C 238242070 572995868 /nfs/dbraw/zinc/99/58/68/572995868.db2.gz GNXLJRWNRGBWEK-YUMQZZPRSA-N 0 0 150.221 2.344 10 30 AEEERN N#CCCCc1ccccc1O 104531046 572995933 /nfs/dbraw/zinc/99/59/33/572995933.db2.gz QXDSPKPZFFMOFI-UHFFFAOYSA-N 0 0 161.204 2.238 10 30 AEEERN O=C[C@H]1CC[C@@H]1c1ccc(O)cc1 257917085 572996476 /nfs/dbraw/zinc/99/64/76/572996476.db2.gz RAWSEEWMNQSYBP-MWLCHTKSSA-N 0 0 176.215 2.085 10 30 AEEERN Cc1ccc2c(CC=O)cn(C)c2c1 258208395 572996496 /nfs/dbraw/zinc/99/64/96/572996496.db2.gz OPFDGWHUOXMUEN-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN O=C[C@H]1CC[C@H]1c1ccc(O)cc1 257917082 572996506 /nfs/dbraw/zinc/99/65/06/572996506.db2.gz RAWSEEWMNQSYBP-KOLCDFICSA-N 0 0 176.215 2.085 10 30 AEEERN O=C[C@@](F)(c1ccccc1)C1CC1 257916740 572996552 /nfs/dbraw/zinc/99/65/52/572996552.db2.gz QYJCNDPTOOYHHL-LLVKDONJSA-N 0 0 178.206 2.460 10 30 AEEERN CCCCC1=C[C@H]2C(=O)C=C[C@H]12 238241188 572996584 /nfs/dbraw/zinc/99/65/84/572996584.db2.gz SXMYZFGTHFQTCF-NXEZZACHSA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H]1C=C(CC)C(=O)[C@H]1C 238241658 572996911 /nfs/dbraw/zinc/99/69/11/572996911.db2.gz GNXLJRWNRGBWEK-JGVFFNPUSA-N 0 0 150.221 2.344 10 30 AEEERN C=C(C)[C@@H](NN)C(C)(C)C(C)(C)C 308218993 572996959 /nfs/dbraw/zinc/99/69/59/572996959.db2.gz KIJRXSSDROPAEP-SECBINFHSA-N 0 0 184.327 2.467 10 30 AEEERN CCC1=CC[C@H]2C(C)=CC(=O)[C@H]12 238241086 572997047 /nfs/dbraw/zinc/99/70/47/572997047.db2.gz QQNPMSMFTHBKEE-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H]([NH3+])c1c(O)cccc1Cl 104528123 572997115 /nfs/dbraw/zinc/99/71/15/572997115.db2.gz BZSZLBAUMKIZCV-SSDOTTSWSA-N 0 0 183.638 2.231 10 30 AEEERN CC1(C)C[C@H]2CCC[C@]21C=O 238241560 572997407 /nfs/dbraw/zinc/99/74/07/572997407.db2.gz RTARYTYUIWNRDM-SCZZXKLOSA-N 0 0 152.237 2.402 10 30 AEEERN CCC1=CC[C@@H]2C(C)=CC(=O)[C@H]12 238241312 572997427 /nfs/dbraw/zinc/99/74/27/572997427.db2.gz QQNPMSMFTHBKEE-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN Cn1cc(CS)c2cc(O)ccc21 257917596 572997473 /nfs/dbraw/zinc/99/74/73/572997473.db2.gz CSPAXWTYIZZIQB-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN Cc1cccc(C#N)c1N(C)C1CC1 221002773 572997532 /nfs/dbraw/zinc/99/75/32/572997532.db2.gz YGRXAVZPVCEMOS-UHFFFAOYSA-N 0 0 186.258 2.465 10 30 AEEERN C=C(C)C[C@@H](O)C[C@H]1CCCCO1 128271197 572997585 /nfs/dbraw/zinc/99/75/85/572997585.db2.gz LHOXYOOESLJUEJ-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN CC1(C)CC(=O)[C@@H]2[C@H](C#N)C[C@@H]2C1 238241789 572997640 /nfs/dbraw/zinc/99/76/40/572997640.db2.gz VWIHUSIJCXYROF-WEDXCCLWSA-N 0 0 177.247 2.151 10 30 AEEERN C=CCC[C@H](O)C[C@H]1CCCCO1 128267186 572997815 /nfs/dbraw/zinc/99/78/15/572997815.db2.gz UAMMTCMEBZZWIX-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN C#CC[C@H](C)C(=O)CCC 238240514 572997822 /nfs/dbraw/zinc/99/78/22/572997822.db2.gz XHDXYZNBVOKHMN-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN CO[C@@](C)(C=O)c1ccccc1C 257923680 572997841 /nfs/dbraw/zinc/99/78/41/572997841.db2.gz RVDDVBCAVBZRCR-NSHDSACASA-N 0 0 178.231 2.056 10 30 AEEERN N#Cc1c2c(n3c1CCC3)CCCC2 259594019 572997879 /nfs/dbraw/zinc/99/78/79/572997879.db2.gz DVADZHAXOUUAHU-UHFFFAOYSA-N 0 0 186.258 2.185 10 30 AEEERN CCC1=CC[C@H]2C(C)=CC(=O)[C@@H]12 238241114 572997903 /nfs/dbraw/zinc/99/79/03/572997903.db2.gz QQNPMSMFTHBKEE-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C=C(C)[C@H](NN)C(C)(C)C(C)(C)C 308218994 572997936 /nfs/dbraw/zinc/99/79/36/572997936.db2.gz KIJRXSSDROPAEP-VIFPVBQESA-N 0 0 184.327 2.467 10 30 AEEERN CCC1=CC[C@@H]2C(=O)C=C(O)[C@H]2C1 238241322 572998138 /nfs/dbraw/zinc/99/81/38/572998138.db2.gz FZAAAVDYJNLASN-IUCAKERBSA-N 0 0 178.231 2.374 10 30 AEEERN C=C[C@@H]1C=C(CC)C(=O)C1 238241624 572998576 /nfs/dbraw/zinc/99/85/76/572998576.db2.gz QRFWYUXTCDYTHV-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN CCC1=CC[C@@H]2C(C)=CC(=O)[C@@H]12 238241334 572998177 /nfs/dbraw/zinc/99/81/77/572998177.db2.gz QQNPMSMFTHBKEE-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H]1C=C(CC)C(=O)[C@@H]1C 238241643 572998184 /nfs/dbraw/zinc/99/81/84/572998184.db2.gz GNXLJRWNRGBWEK-HTQZYQBOSA-N 0 0 150.221 2.344 10 30 AEEERN COc1cccc(CC(F)(F)C#N)c1 258212651 572998196 /nfs/dbraw/zinc/99/81/96/572998196.db2.gz XUKWGSLFYQPAHN-UHFFFAOYSA-N 0 0 197.184 2.397 10 30 AEEERN COc1c(C)ccc(F)c1CCC=O 258211924 572998235 /nfs/dbraw/zinc/99/82/35/572998235.db2.gz ZMLNKPJKFIZAKK-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN C=CC(=C)[C@@H](O)[C@H]1CC1(C)C 238240737 572998250 /nfs/dbraw/zinc/99/82/50/572998250.db2.gz XNURXNYMUGIRSC-RKDXNWHRSA-N 0 0 152.237 2.136 10 30 AEEERN CCN(C)c1c(C)cccc1C#N 221002580 572998316 /nfs/dbraw/zinc/99/83/16/572998316.db2.gz CMJLLLVBHULMPQ-UHFFFAOYSA-N 0 0 174.247 2.323 10 30 AEEERN N#CCC[C@@H]([NH3+])c1cccs1 104526017 572998415 /nfs/dbraw/zinc/99/84/15/572998415.db2.gz XXHPLNXSGAJAHP-SSDOTTSWSA-N 0 0 166.249 2.052 10 30 AEEERN CO[C@](C)(C=O)c1ccccc1C 257923677 572999051 /nfs/dbraw/zinc/99/90/51/572999051.db2.gz RVDDVBCAVBZRCR-LLVKDONJSA-N 0 0 178.231 2.056 10 30 AEEERN COc1c(Cl)cc(C#N)c(O)c1C 258209864 572999249 /nfs/dbraw/zinc/99/92/49/572999249.db2.gz ZIONLDLQJBKZKU-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN CCC/C(CC)=N/OC 113325279 572999255 /nfs/dbraw/zinc/99/92/55/572999255.db2.gz WBPQMOYDKVZXIQ-BQYQJAHWSA-N 0 0 129.203 2.199 10 30 AEEERN O=CCCc1ccc2[nH]ccc2c1F 258209880 572999283 /nfs/dbraw/zinc/99/92/83/572999283.db2.gz ZIZCHKWYEIJCOU-UHFFFAOYSA-N 0 0 191.205 2.439 10 30 AEEERN C=C[C@H](C)OC(=O)c1c[nH]cc1C 308218778 572999370 /nfs/dbraw/zinc/99/93/70/572999370.db2.gz BDGNAMSKKXXZAW-QMMMGPOBSA-N 0 0 179.219 2.054 10 30 AEEERN C=C(C)C[C@H](O)C[C@@H]1CCCCO1 128270479 572999484 /nfs/dbraw/zinc/99/94/84/572999484.db2.gz LHOXYOOESLJUEJ-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN C=C(C(=O)OC)[C@H]1CCCCS1 258210304 572999702 /nfs/dbraw/zinc/99/97/02/572999702.db2.gz OAJCGIVDXZBMMV-MRVPVSSYSA-N 0 0 186.276 2.001 10 30 AEEERN C#C[C@H](C)OC(=O)CCCC1CC1 308217868 572999824 /nfs/dbraw/zinc/99/98/24/572999824.db2.gz AWVCQDMGELLJES-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C=C[C@H]1CC=C(C)C(=O)C1 238242490 572999841 /nfs/dbraw/zinc/99/98/41/572999841.db2.gz GIDPECBUGZAUBA-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C[C@H]1C[C@H]1CNN=C1CCC[C@H]1C 308219363 573000560 /nfs/dbraw/zinc/00/05/60/573000560.db2.gz BKVGLNBRXXTFOL-UTLUCORTSA-N 0 0 180.295 2.408 10 30 AEEERN CCCCC[C@]12CC[C@@H](O)[C@@]1(C)O2 308218788 573000568 /nfs/dbraw/zinc/00/05/68/573000568.db2.gz NJTZRVKPPNVUCK-MXWKQRLJSA-N 0 0 184.279 2.249 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CC=O 238244596 573000994 /nfs/dbraw/zinc/00/09/94/573000994.db2.gz BFKBJBSLQFTMKM-VDDIYKPWSA-N 0 0 194.274 2.217 10 30 AEEERN CCCCCC#C[C@@H](C)C#CCO 238245098 573001122 /nfs/dbraw/zinc/00/11/22/573001122.db2.gz BHPMLNIWWYPTCX-GFCCVEGCSA-N 0 0 178.275 2.202 10 30 AEEERN C#Cc1ccc2c(c1)CCN2CC 238243915 573001174 /nfs/dbraw/zinc/00/11/74/573001174.db2.gz ITCMOPFPESQSQA-UHFFFAOYSA-N 0 0 171.243 2.050 10 30 AEEERN CCN1c2ccccc2S[C@@H]1C=O 238250820 573001157 /nfs/dbraw/zinc/00/11/57/573001157.db2.gz ILWAWDYMQSYLJC-SNVBAGLBSA-N 0 0 193.271 2.144 10 30 AEEERN C[C@@H](C#N)CC(=O)c1ccccc1C#N 235429825 573001528 /nfs/dbraw/zinc/00/15/28/573001528.db2.gz TZVDLMBAGPCTPO-SECBINFHSA-N 0 0 198.225 2.291 10 30 AEEERN C=CCCO[C@@H](C)c1nnc(C)o1 308220761 573001618 /nfs/dbraw/zinc/00/16/18/573001618.db2.gz CADCHRLDBGYKDM-ZETCQYMHSA-N 0 0 182.223 2.032 10 30 AEEERN C=C(C(=O)OC)[C@@H]1CCCCS1 258210306 573001778 /nfs/dbraw/zinc/00/17/78/573001778.db2.gz OAJCGIVDXZBMMV-QMMMGPOBSA-N 0 0 186.276 2.001 10 30 AEEERN CC1(C)C[C@@]2(C#N)CCCC(=O)[C@@H]12 238245185 573001790 /nfs/dbraw/zinc/00/17/90/573001790.db2.gz JAGYEJWAVPXCJP-GXSJLCMTSA-N 0 0 177.247 2.295 10 30 AEEERN CCc1c(CCC=O)cccc1OC 258211889 573001909 /nfs/dbraw/zinc/00/19/09/573001909.db2.gz ZLSYOUGZQYIWEK-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN C=C[C@@](C)(CCC)[C@@H](C)O 238250491 573001951 /nfs/dbraw/zinc/00/19/51/573001951.db2.gz XOMSOWFJWCILHD-BDAKNGLRSA-N 0 0 142.242 2.360 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)C(C=O)=C2O 238244320 573001960 /nfs/dbraw/zinc/00/19/60/573001960.db2.gz BFWMRQYOZBKXAR-GFDDBTTBSA-N 0 0 180.247 2.454 10 30 AEEERN CC[C@@](C)(C#N)COC1CCOCC1 308472177 573002167 /nfs/dbraw/zinc/00/21/67/573002167.db2.gz JDIQWGWGDQWUQS-NSHDSACASA-N 0 0 197.278 2.122 10 30 AEEERN C#CC[C@H](C)OC(=O)C(F)=C(C)C 308158464 573002230 /nfs/dbraw/zinc/00/22/30/573002230.db2.gz SWHRRMOJOSJAFA-QMMMGPOBSA-N 0 0 184.210 2.205 10 30 AEEERN O=CCCc1cccc(F)c1CF 258212010 573002294 /nfs/dbraw/zinc/00/22/94/573002294.db2.gz ZOFPEBNGCOCRAK-UHFFFAOYSA-N 0 0 184.185 2.427 10 30 AEEERN C=C[C@@](C)(CCC)[C@H](C)O 238250504 573002339 /nfs/dbraw/zinc/00/23/39/573002339.db2.gz XOMSOWFJWCILHD-IUCAKERBSA-N 0 0 142.242 2.360 10 30 AEEERN C=C[C@H]1CCCC[C@H]1C(=O)NCC 238250726 573002468 /nfs/dbraw/zinc/00/24/68/573002468.db2.gz BTBFRPKYBBZXJW-VHSXEESVSA-N 0 0 181.279 2.115 10 30 AEEERN CC1(C)Cc2cc(C#N)ccc2[C@H]1O 238244945 573002810 /nfs/dbraw/zinc/00/28/10/573002810.db2.gz AKPIPLQAYLIMBZ-LLVKDONJSA-N 0 0 187.242 2.174 10 30 AEEERN N#Cc1scnc1-c1ccc[nH]1 259305320 573002962 /nfs/dbraw/zinc/00/29/62/573002962.db2.gz QXFALHXQNGOBLV-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN CC[C@@H](C#N)C(O)(C1CC1)C1CC1 308220725 573002994 /nfs/dbraw/zinc/00/29/94/573002994.db2.gz OGBSJJSRDBALQB-QMMMGPOBSA-N 0 0 179.263 2.087 10 30 AEEERN CCN1c2ccccc2C=C[C@@H]1C=O 238250796 573003446 /nfs/dbraw/zinc/00/34/46/573003446.db2.gz HOWNMJLSDBNFPD-LLVKDONJSA-N 0 0 187.242 2.107 10 30 AEEERN COc1c(C#N)cc(C)c(C)c1OC 258214305 573003449 /nfs/dbraw/zinc/00/34/49/573003449.db2.gz ZSWNHXZQDBNKPT-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN CCC[C@H](C)C=NO[C@@H]1CCOC1 308213509 573003452 /nfs/dbraw/zinc/00/34/52/573003452.db2.gz HTHMRGPEINDMLL-VHSXEESVSA-N 0 0 185.267 2.214 10 30 AEEERN C=CCOC(=O)N(CC)CC(=C)C 308219814 573003651 /nfs/dbraw/zinc/00/36/51/573003651.db2.gz KSSSKQDRBJCTAH-UHFFFAOYSA-N 0 0 183.251 2.207 10 30 AEEERN C=C[C@@H]1CCCC[C@H]1C(=O)NCC 238250756 573003708 /nfs/dbraw/zinc/00/37/08/573003708.db2.gz BTBFRPKYBBZXJW-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C#Cc1cccc2c1N(CC)CC2 238244214 573003961 /nfs/dbraw/zinc/00/39/61/573003961.db2.gz WGVSDPRMDZIDAM-UHFFFAOYSA-N 0 0 171.243 2.050 10 30 AEEERN CC1=CC[C@@H]2C(=O)C=C[C@@H]2C1 238244261 573004109 /nfs/dbraw/zinc/00/41/09/573004109.db2.gz IZDDFXLICQKAKQ-BDAKNGLRSA-N 0 0 148.205 2.098 10 30 AEEERN Cc1c(Cl)c(C#N)cc2c1OCO2 258215899 573005330 /nfs/dbraw/zinc/00/53/30/573005330.db2.gz ZWIYZLGISINPLD-UHFFFAOYSA-N 0 0 195.605 2.249 10 30 AEEERN CC1(C)Cc2cc(C#N)ccc2[C@@H]1O 238244934 573004239 /nfs/dbraw/zinc/00/42/39/573004239.db2.gz AKPIPLQAYLIMBZ-NSHDSACASA-N 0 0 187.242 2.174 10 30 AEEERN Cc1cc(C)c(C2(O)CC2)cc1C#N 258215994 573004258 /nfs/dbraw/zinc/00/42/58/573004258.db2.gz ZXXCERQKMPETQJ-UHFFFAOYSA-N 0 0 187.242 2.157 10 30 AEEERN CCCCC/C=N/O 113440085 573004288 /nfs/dbraw/zinc/00/42/88/573004288.db2.gz YOIWSDLNGMVRLR-VOTSOKGWSA-N 0 0 115.176 2.027 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N\CCO)C2 238244345 573004333 /nfs/dbraw/zinc/00/43/33/573004333.db2.gz YTOTYMKKQUDVAF-WFIVIVENSA-N 0 0 195.306 2.266 10 30 AEEERN CC[C@H](C#N)C(O)(C1CC1)C1CC1 308220724 573004350 /nfs/dbraw/zinc/00/43/50/573004350.db2.gz OGBSJJSRDBALQB-MRVPVSSYSA-N 0 0 179.263 2.087 10 30 AEEERN CCC[C@@H](C)C=NO[C@H]1CCOC1 308213510 573004452 /nfs/dbraw/zinc/00/44/52/573004452.db2.gz HTHMRGPEINDMLL-ZJUUUORDSA-N 0 0 185.267 2.214 10 30 AEEERN CCCC(=O)/C=C/Br 238244635 573004457 /nfs/dbraw/zinc/00/44/57/573004457.db2.gz NOSNSCZPKHEVOQ-SNAWJCMRSA-N 0 0 177.041 2.264 10 30 AEEERN CC1=CC[C@](C)(CC=O)C1 238244818 573004473 /nfs/dbraw/zinc/00/44/73/573004473.db2.gz CEILRUPNNNRBDA-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC[C@@H](C)Nc1snc(N)c1C 235430945 573004616 /nfs/dbraw/zinc/00/46/16/573004616.db2.gz IHDZXTGOCIGZHB-ZCFIWIBFSA-N 0 0 197.307 2.410 10 30 AEEERN COc1ccc([C@@H](S)N(C)C)cc1 259598307 573004631 /nfs/dbraw/zinc/00/46/31/573004631.db2.gz QKYAUWANCHTEOW-SNVBAGLBSA-N 0 0 197.303 2.185 10 30 AEEERN C(/C=C/c1ccco1)=NNC1CC1 308219914 573005651 /nfs/dbraw/zinc/00/56/51/573005651.db2.gz BYRSRSCXBBBCKK-KOIJJOLBSA-N 0 0 176.219 2.031 10 30 AEEERN CC1=C(c2ccon2)C(=O)CCC1 238250944 573004863 /nfs/dbraw/zinc/00/48/63/573004863.db2.gz VCQUQTIJCDPFIT-UHFFFAOYSA-N 0 0 177.203 2.201 10 30 AEEERN C=CCCCC[NH2+]CCCCC(=O)[O-] 308473806 573004964 /nfs/dbraw/zinc/00/49/64/573004964.db2.gz JPGROPJDYXDTCU-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN C#Cc1ccc2c(c1)N(CC)CC2 238244114 573005033 /nfs/dbraw/zinc/00/50/33/573005033.db2.gz FPNBLAXQJHOZQV-UHFFFAOYSA-N 0 0 171.243 2.050 10 30 AEEERN CC1=C(c2ccno2)C(=O)CCC1 238250920 573005091 /nfs/dbraw/zinc/00/50/91/573005091.db2.gz GABBFFYEFKTVGK-UHFFFAOYSA-N 0 0 177.203 2.201 10 30 AEEERN C=C=C[C@@](C)(C=O)CCC 238250528 573005179 /nfs/dbraw/zinc/00/51/79/573005179.db2.gz KCKXFVGTMIZMAZ-SECBINFHSA-N 0 0 138.210 2.333 10 30 AEEERN COc1ccc([C@H](S)N(C)C)cc1 259598303 573005281 /nfs/dbraw/zinc/00/52/81/573005281.db2.gz QKYAUWANCHTEOW-JTQLQIEISA-N 0 0 197.303 2.185 10 30 AEEERN CC1(C)C[C@@]2(C#N)CCCC(=O)[C@H]12 238245192 573005451 /nfs/dbraw/zinc/00/54/51/573005451.db2.gz JAGYEJWAVPXCJP-MWLCHTKSSA-N 0 0 177.247 2.295 10 30 AEEERN C=C=CC(=O)C=C=CCCCC 238244011 573005545 /nfs/dbraw/zinc/00/55/45/573005545.db2.gz FDEGEATWCHUTMP-UHFFFAOYSA-N 0 0 162.232 2.480 10 30 AEEERN C=C[C@@]1(C)CC=C(C)C(=O)C1 238244764 573005760 /nfs/dbraw/zinc/00/57/60/573005760.db2.gz ODKBTWLKSSWNJB-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CC1(C)C[C@]12C=CC=CC(=O)C2 238244973 573005783 /nfs/dbraw/zinc/00/57/83/573005783.db2.gz ALFBIMCXVKCHJP-LLVKDONJSA-N 0 0 162.232 2.488 10 30 AEEERN SCc1ccc2c(c1)CCCN2 258215084 573005915 /nfs/dbraw/zinc/00/59/15/573005915.db2.gz QRWXSBCXXWFYIX-UHFFFAOYSA-N 0 0 179.288 2.475 10 30 AEEERN C(/C=C\c1ccco1)=NNC1CC1 308219917 573006128 /nfs/dbraw/zinc/00/61/28/573006128.db2.gz BYRSRSCXBBBCKK-NUSISRFLSA-N 0 0 176.219 2.031 10 30 AEEERN CCN1c2ccccc2S[C@H]1C=O 238251944 573006683 /nfs/dbraw/zinc/00/66/83/573006683.db2.gz ILWAWDYMQSYLJC-JTQLQIEISA-N 0 0 193.271 2.144 10 30 AEEERN CC1=C[C@@](C)(CCCO)C(=O)C(C)=C1 238251783 573006932 /nfs/dbraw/zinc/00/69/32/573006932.db2.gz GODQKBZGVHVADH-GFCCVEGCSA-N 0 0 194.274 2.241 10 30 AEEERN CC1=C[C@@](C)(CCC=O)C(=O)C(C)=C1 238251745 573007105 /nfs/dbraw/zinc/00/71/05/573007105.db2.gz UHYUQZNUXXQBHZ-GFCCVEGCSA-N 0 0 192.258 2.447 10 30 AEEERN C=CCCCC(=O)NC[C@@H]1C[C@@H]1C 308221960 573007220 /nfs/dbraw/zinc/00/72/20/573007220.db2.gz CLARRZZOJGOTLC-UWVGGRQHSA-N 0 0 181.279 2.115 10 30 AEEERN Cc1cccc2c1cc([C@@H](N)C#N)n2C 259598796 573007282 /nfs/dbraw/zinc/00/72/82/573007282.db2.gz LWOMMEKZFCYJOP-JTQLQIEISA-N 0 0 199.257 2.010 10 30 AEEERN C=C[C@H](OC(=O)C1CCC1)C1CC1 308222331 573007314 /nfs/dbraw/zinc/00/73/14/573007314.db2.gz CZUXFTACTWMWOZ-JTQLQIEISA-N 0 0 180.247 2.294 10 30 AEEERN CC1=C/C(=N\O)[C@H]2CCC[C@H]12 238250996 573007462 /nfs/dbraw/zinc/00/74/62/573007462.db2.gz DQZSSYZWAMEEPY-CRZLOUGTSA-N 0 0 151.209 2.193 10 30 AEEERN Cc1noc2c1CC[C@H](CCC#N)C2 259598775 573007545 /nfs/dbraw/zinc/00/75/45/573007545.db2.gz GALBCOKWGOBGJU-VIFPVBQESA-N 0 0 190.246 2.392 10 30 AEEERN C=CCN(CC)C(=O)[C@H](C)C1CC1 308222269 573008647 /nfs/dbraw/zinc/00/86/47/573008647.db2.gz LSELRORUIASFJI-SECBINFHSA-N 0 0 181.279 2.067 10 30 AEEERN CC1=C2CCCCC(=O)[C@H]2CC1=O 238251819 573007635 /nfs/dbraw/zinc/00/76/35/573007635.db2.gz JXOURSHOCPXZDQ-VIFPVBQESA-N 0 0 178.231 2.035 10 30 AEEERN CC1=CC[C@H]2C(=O)[C@]1(CC=O)C2(C)C 141753005 573007647 /nfs/dbraw/zinc/00/76/47/573007647.db2.gz YPOZNXINZKJASF-JOYOIKCWSA-N 0 0 192.258 2.137 10 30 AEEERN CC(C)(C#C[Si](C)(C)C)CC=O 196992914 573007701 /nfs/dbraw/zinc/00/77/01/573007701.db2.gz UPJAGCGVSGSGPN-UHFFFAOYSA-N 0 0 182.339 2.482 10 30 AEEERN CC(C)(C)c1cnc(CCC#N)cn1 259598761 573007731 /nfs/dbraw/zinc/00/77/31/573007731.db2.gz GAJGRBLZAWANOV-UHFFFAOYSA-N 0 0 189.262 2.230 10 30 AEEERN C#CCCC[C@H](O)C[C@H]1CCCCO1 128302036 573007776 /nfs/dbraw/zinc/00/77/76/573007776.db2.gz CUSVKMDMVWFAFT-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN Cc1noc2c1CC[C@@H](CCC#N)C2 259598773 573007813 /nfs/dbraw/zinc/00/78/13/573007813.db2.gz GALBCOKWGOBGJU-SECBINFHSA-N 0 0 190.246 2.392 10 30 AEEERN COCCOCC1(C#N)CCCCC1 308472210 573007899 /nfs/dbraw/zinc/00/78/99/573007899.db2.gz JFHTVOZTCYDUQI-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN CC1=C[C@@](C)(Cl)C(C)=CC1=O 238251871 573007947 /nfs/dbraw/zinc/00/79/47/573007947.db2.gz YLLTVLJVNDPGMB-SECBINFHSA-N 0 0 170.639 2.459 10 30 AEEERN N#Cc1cc2c(N)c(F)ccc2o1 259307494 573008007 /nfs/dbraw/zinc/00/80/07/573008007.db2.gz CEPPUWZYRPRYFL-UHFFFAOYSA-N 0 0 176.150 2.026 10 30 AEEERN Cn1ccc2cc(CCC=O)ccc21 258215904 573008045 /nfs/dbraw/zinc/00/80/45/573008045.db2.gz ZWMSJIZXGQXNHP-UHFFFAOYSA-N 0 0 187.242 2.310 10 30 AEEERN CCN1c2ccccc2C=C[C@H]1C=O 238251929 573008112 /nfs/dbraw/zinc/00/81/12/573008112.db2.gz HOWNMJLSDBNFPD-NSHDSACASA-N 0 0 187.242 2.107 10 30 AEEERN CCCC[C@@H](C)CC#CCO 238251883 573008233 /nfs/dbraw/zinc/00/82/33/573008233.db2.gz OCRHHPBERSVREC-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN CC1=C/C(=N\O)[C@H]2CCC[C@@H]12 238251005 573008493 /nfs/dbraw/zinc/00/84/93/573008493.db2.gz DQZSSYZWAMEEPY-MXJIBWSFSA-N 0 0 151.209 2.193 10 30 AEEERN CC1=C/C(=N\O)[C@@H]2CCC[C@@H]12 238250982 573008616 /nfs/dbraw/zinc/00/86/16/573008616.db2.gz DQZSSYZWAMEEPY-KDPFSQANSA-N 0 0 151.209 2.193 10 30 AEEERN CC1=C2CC(=O)C=C2CCC1 238251225 573008690 /nfs/dbraw/zinc/00/86/90/573008690.db2.gz RPJURKWCIGOHSC-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN C=C([C@H](CCCC)NN)C(F)(F)F 308222167 573008878 /nfs/dbraw/zinc/00/88/78/573008878.db2.gz OVBFEVPRJXEQFL-ZETCQYMHSA-N 0 0 196.216 2.127 10 30 AEEERN N#Cc1cc2ncsc2s1 259598705 573008885 /nfs/dbraw/zinc/00/88/85/573008885.db2.gz GNTLMNVJVOTSIF-UHFFFAOYSA-N 0 0 166.230 2.229 10 30 AEEERN CO[C@](C)(C=O)c1ccc(Cl)cc1 257923757 573008929 /nfs/dbraw/zinc/00/89/29/573008929.db2.gz YQJIASNTRTXSHZ-SNVBAGLBSA-N 0 0 198.649 2.401 10 30 AEEERN CC[C@@H](C)OC[C@]1(C#N)CCCOC1 308474548 573008954 /nfs/dbraw/zinc/00/89/54/573008954.db2.gz JZNFMVXWQAYXRE-MNOVXSKESA-N 0 0 197.278 2.122 10 30 AEEERN C#CCCC[C@@H](O)C[C@H]1CCCCO1 128302252 573008992 /nfs/dbraw/zinc/00/89/92/573008992.db2.gz CUSVKMDMVWFAFT-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN CC[C@@H](C)OC[C@@]1(C#N)CCCOC1 308474547 573009001 /nfs/dbraw/zinc/00/90/01/573009001.db2.gz JZNFMVXWQAYXRE-GHMZBOCLSA-N 0 0 197.278 2.122 10 30 AEEERN CC[C@@](O)(CC=O)c1cccc(C)c1 308474053 573010004 /nfs/dbraw/zinc/01/00/04/573010004.db2.gz CWTZPBOIFPCRLY-GFCCVEGCSA-N 0 0 192.258 2.182 10 30 AEEERN C=C[C@@H](OC(=O)C1CCC1)C1CC1 308222333 573009282 /nfs/dbraw/zinc/00/92/82/573009282.db2.gz CZUXFTACTWMWOZ-SNVBAGLBSA-N 0 0 180.247 2.294 10 30 AEEERN CC(C)(C=O)SC(F)(F)F 196983517 573009319 /nfs/dbraw/zinc/00/93/19/573009319.db2.gz NENQKXYMGXKKLX-UHFFFAOYSA-N 0 0 172.171 2.217 10 30 AEEERN CC1=C[C@@](C)(Cl)C=CC1=O 238251881 573009435 /nfs/dbraw/zinc/00/94/35/573009435.db2.gz DYNAVBWRDQAZGT-QMMMGPOBSA-N 0 0 156.612 2.069 10 30 AEEERN CSCCC[C@@]1(C#N)CCCCN1 308221590 573009473 /nfs/dbraw/zinc/00/94/73/573009473.db2.gz OLRVPWDMIFNBEW-SNVBAGLBSA-N 0 0 198.335 2.165 10 30 AEEERN CC1=C2CCCCC(=O)[C@@H]2CC1=O 238251811 573009524 /nfs/dbraw/zinc/00/95/24/573009524.db2.gz JXOURSHOCPXZDQ-SECBINFHSA-N 0 0 178.231 2.035 10 30 AEEERN Cc1cccc2c1cc([C@H](N)C#N)n2C 259598799 573009674 /nfs/dbraw/zinc/00/96/74/573009674.db2.gz LWOMMEKZFCYJOP-SNVBAGLBSA-N 0 0 199.257 2.010 10 30 AEEERN C#CCCCC(=O)OCC=C(C)C 308221518 573009694 /nfs/dbraw/zinc/00/96/94/573009694.db2.gz CSDHRYWQHUJHIB-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C#CCCC[C@@H](O)C[C@@H]1CCCCO1 128301832 573009701 /nfs/dbraw/zinc/00/97/01/573009701.db2.gz CUSVKMDMVWFAFT-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)N(C)C1CC1 308149446 573009740 /nfs/dbraw/zinc/00/97/40/573009740.db2.gz NMEANONZAQJCGJ-IUCAKERBSA-N 0 0 181.279 2.065 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)CCC1CC1 308475472 573009810 /nfs/dbraw/zinc/00/98/10/573009810.db2.gz LUTYZTUSDHEMLZ-ONGXEEELSA-N 0 0 180.295 2.457 10 30 AEEERN CC1=C/C(=N\O)[C@@H]2CCC[C@H]12 238250969 573009870 /nfs/dbraw/zinc/00/98/70/573009870.db2.gz DQZSSYZWAMEEPY-GAKMQHSGSA-N 0 0 151.209 2.193 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)CCC1CC1 308475444 573009890 /nfs/dbraw/zinc/00/98/90/573009890.db2.gz LUTYZTUSDHEMLZ-GXSJLCMTSA-N 0 0 180.295 2.457 10 30 AEEERN CCCCC=NN1CCCCC1=O 308474716 573009953 /nfs/dbraw/zinc/00/99/53/573009953.db2.gz LOGXXGBHYQHBPS-UHFFFAOYSA-N 0 0 182.267 2.175 10 30 AEEERN C=C([C@@H](CCCC)NN)C(F)(F)F 308222163 573010043 /nfs/dbraw/zinc/01/00/43/573010043.db2.gz OVBFEVPRJXEQFL-SSDOTTSWSA-N 0 0 196.216 2.127 10 30 AEEERN CC[C@H](C)OC[C@]1(C#N)CCCOC1 308474550 573010324 /nfs/dbraw/zinc/01/03/24/573010324.db2.gz JZNFMVXWQAYXRE-QWRGUYRKSA-N 0 0 197.278 2.122 10 30 AEEERN C=CCCNc1ccccc1CO 238727721 573010447 /nfs/dbraw/zinc/01/04/47/573010447.db2.gz PCUARJCYDORPBC-UHFFFAOYSA-N 0 0 177.247 2.167 10 30 AEEERN C=CCCCC(=O)NC[C@H]1C[C@@H]1C 308221961 573010488 /nfs/dbraw/zinc/01/04/88/573010488.db2.gz CLARRZZOJGOTLC-VHSXEESVSA-N 0 0 181.279 2.115 10 30 AEEERN CC#CCCOC(=O)c1ccsc1 308221948 573010519 /nfs/dbraw/zinc/01/05/19/573010519.db2.gz CYFFCGCUWZECHR-UHFFFAOYSA-N 0 0 194.255 2.318 10 30 AEEERN N#Cc1ccc(C2(C#N)CC2)cc1 113534675 573010531 /nfs/dbraw/zinc/01/05/31/573010531.db2.gz QIMXISBDADQDFU-UHFFFAOYSA-N 0 0 168.199 2.113 10 30 AEEERN Cc1cc2c(CC=O)cccc2o1 258220166 573010562 /nfs/dbraw/zinc/01/05/62/573010562.db2.gz VUJNYKAGOGUVHF-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C=CCN(CC)C(=O)[C@@H](C)C1CC1 308222270 573010823 /nfs/dbraw/zinc/01/08/23/573010823.db2.gz LSELRORUIASFJI-VIFPVBQESA-N 0 0 181.279 2.067 10 30 AEEERN C#CCCC[C@H](O)C[C@@H]1CCCCO1 128301551 573011185 /nfs/dbraw/zinc/01/11/85/573011185.db2.gz CUSVKMDMVWFAFT-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN O=CCc1cc2c(F)cccc2[nH]1 258220637 573012057 /nfs/dbraw/zinc/01/20/57/573012057.db2.gz PEFDKZYNKKSRSU-UHFFFAOYSA-N 0 0 177.178 2.048 10 30 AEEERN CC(C)(C)Cc1cc(C#N)no1 113539830 573011712 /nfs/dbraw/zinc/01/17/12/573011712.db2.gz PNKZJORGRQBSQU-UHFFFAOYSA-N 0 0 164.208 2.135 10 30 AEEERN CC(C)(C#N)c1ccc(C=O)cc1F 113539855 573011813 /nfs/dbraw/zinc/01/18/13/573011813.db2.gz WLZVVYIABLLXIR-UHFFFAOYSA-N 0 0 191.205 2.439 10 30 AEEERN C=CC[C@H]1C=C(C)CCC1=O 238253322 573011924 /nfs/dbraw/zinc/01/19/24/573011924.db2.gz RMMIOOBSXPNJLU-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C#Cc1cccc(NCc2cn[nH]c2)c1 308835713 573011942 /nfs/dbraw/zinc/01/19/42/573011942.db2.gz LEYWMMKPEILYJJ-UHFFFAOYSA-N 0 0 197.241 2.003 10 30 AEEERN N#CC1(C(=O)C2CCCC2)CCC1 259309387 573011991 /nfs/dbraw/zinc/01/19/91/573011991.db2.gz WYBLHOKXGBQPKU-UHFFFAOYSA-N 0 0 177.247 2.440 10 30 AEEERN C=CCCCC(=O)NC[C@@H]1C[C@H]1C 308221962 573011999 /nfs/dbraw/zinc/01/19/99/573011999.db2.gz CLARRZZOJGOTLC-ZJUUUORDSA-N 0 0 181.279 2.115 10 30 AEEERN CCC[C@@H](O)C#CC=C(C)C 238252511 573012427 /nfs/dbraw/zinc/01/24/27/573012427.db2.gz APPMJTBESROYDQ-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN C=CC[C@H]1C=C(C)C(=O)C1 238253326 573012433 /nfs/dbraw/zinc/01/24/33/573012433.db2.gz RDVNAJSODVOWCW-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN N#CC1(c2nc3ccccc3o2)CC1 259308668 573012472 /nfs/dbraw/zinc/01/24/72/573012472.db2.gz VRROGJQMLCTNOE-UHFFFAOYSA-N 0 0 184.198 2.383 10 30 AEEERN C#CCCSc1nnc(C(C)C)o1 308224059 573012569 /nfs/dbraw/zinc/01/25/69/573012569.db2.gz DEBPZZMBXZQBGK-UHFFFAOYSA-N 0 0 196.275 2.308 10 30 AEEERN C=CCCOc1ccccn1 198654859 573012618 /nfs/dbraw/zinc/01/26/18/573012618.db2.gz XYVMHAVXOSSQDO-UHFFFAOYSA-N 0 0 149.193 2.037 10 30 AEEERN CCC[C@@H](O)C#CC(C)(C)C 238252366 573012663 /nfs/dbraw/zinc/01/26/63/573012663.db2.gz IHARRCGUSLZEND-SECBINFHSA-N 0 0 154.253 2.197 10 30 AEEERN CC(C)C(C#N)(NC1CC1)C(C)C 308232298 573012714 /nfs/dbraw/zinc/01/27/14/573012714.db2.gz UAKMEIFYKHOJLK-UHFFFAOYSA-N 0 0 180.295 2.313 10 30 AEEERN N#Cc1ccoc1-c1cc[nH]c1 259595363 573012784 /nfs/dbraw/zinc/01/27/84/573012784.db2.gz CFSFLWJAOBEQJC-UHFFFAOYSA-N 0 0 158.160 2.146 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)CCC1CC1 308475453 573012797 /nfs/dbraw/zinc/01/27/97/573012797.db2.gz LUTYZTUSDHEMLZ-KOLCDFICSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@H](C)CCC1CC1 308475463 573013000 /nfs/dbraw/zinc/01/30/00/573013000.db2.gz LUTYZTUSDHEMLZ-MWLCHTKSSA-N 0 0 180.295 2.457 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cc(Cl)c[nH]1 308222992 573013023 /nfs/dbraw/zinc/01/30/23/573013023.db2.gz CVJXDIPQTPWJLN-ZCFIWIBFSA-N 0 0 199.637 2.399 10 30 AEEERN C#CCCCCC(=O)O[C@H](C)C=C 308223067 573013259 /nfs/dbraw/zinc/01/32/59/573013259.db2.gz CYTJYZIRJLRGJX-SNVBAGLBSA-N 0 0 180.247 2.298 10 30 AEEERN CC[C@H](C#N)Cc1cccnc1 259311340 573013324 /nfs/dbraw/zinc/01/33/24/573013324.db2.gz KNRFDNRVXYKNGO-VIFPVBQESA-N 0 0 160.220 2.174 10 30 AEEERN C=C1CCC(C)(C=O)CC1 238253264 573013349 /nfs/dbraw/zinc/01/33/49/573013349.db2.gz UVQXSLVEMLKDHS-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN O=CCc1cnc(-c2ccccc2)o1 258221922 573013550 /nfs/dbraw/zinc/01/35/50/573013550.db2.gz VBXFKLDNRXEHBI-UHFFFAOYSA-N 0 0 187.198 2.083 10 30 AEEERN CC1=C2CCC[C@H]2CCC1=O 238252619 573013575 /nfs/dbraw/zinc/01/35/75/573013575.db2.gz YCXAPHJOJKUNLA-QMMMGPOBSA-N 0 0 150.221 2.466 10 30 AEEERN CO[C@@](C)(C=O)c1ccc(Cl)cc1 257923756 573013577 /nfs/dbraw/zinc/01/35/77/573013577.db2.gz YQJIASNTRTXSHZ-JTQLQIEISA-N 0 0 198.649 2.401 10 30 AEEERN C=C(C)COC1=C=CC(C)N=C1Cl 642826432 573013774 /nfs/dbraw/zinc/01/37/74/573013774.db2.gz UQPREBJMDDJTCE-UHFFFAOYSA-N 0 0 196.657 2.145 10 30 AEEERN CC/C=C/CC[C@@H]1CO1 141720970 573019209 /nfs/dbraw/zinc/01/92/09/573019209.db2.gz RORRJKPETKQQQP-MPJRPATESA-N 0 0 126.199 2.132 10 30 AEEERN Cc1cc(CS)ccc1N 258223582 573019864 /nfs/dbraw/zinc/01/98/64/573019864.db2.gz XVYZKFAMRFQXBP-UHFFFAOYSA-N 0 0 153.250 2.007 10 30 AEEERN C#C/C=C(\CC)[C@H](O)CCC 238253179 573014737 /nfs/dbraw/zinc/01/47/37/573014737.db2.gz JRSOJAAJFJOERA-TTZKWOQHSA-N 0 0 152.237 2.117 10 30 AEEERN Cc1cccc2occ(CC=O)c12 258223804 573014841 /nfs/dbraw/zinc/01/48/41/573014841.db2.gz PMMKKICFHJQGEY-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C=C[C@H]1C=C(C)C(=O)C1(C)C 238253262 573014886 /nfs/dbraw/zinc/01/48/86/573014886.db2.gz AKJATRREUNALMF-QMMMGPOBSA-N 0 0 150.221 2.344 10 30 AEEERN C=C([C@H](O)CCC)C(F)(F)F 238253268 573014894 /nfs/dbraw/zinc/01/48/94/573014894.db2.gz QVFRQKFZEXBBIJ-ZCFIWIBFSA-N 0 0 168.158 2.266 10 30 AEEERN C=CCO[C@@H]1CCC=CCC[C@H]1O 308222750 573014924 /nfs/dbraw/zinc/01/49/24/573014924.db2.gz PECPRTKUKKULHJ-GHMZBOCLSA-N 0 0 182.263 2.049 10 30 AEEERN CC1=C2CC[C@@]2(C)CCC1=O 238252829 573014925 /nfs/dbraw/zinc/01/49/25/573014925.db2.gz UTPLDIOQVWMFAY-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN CCC[C@@H](O)C#C[Si](C)(C)CC 238253004 573014931 /nfs/dbraw/zinc/01/49/31/573014931.db2.gz SCYNWKBTHQNZDY-SNVBAGLBSA-N 0 0 184.355 2.418 10 30 AEEERN C/C=C(\C)C#C[C@H](O)CCC 238252423 573015505 /nfs/dbraw/zinc/01/55/05/573015505.db2.gz ALMJCEDNDSGDCT-NAZIUFLLSA-N 0 0 152.237 2.117 10 30 AEEERN C=COc1cccc(F)c1C#N 85503536 573015719 /nfs/dbraw/zinc/01/57/19/573015719.db2.gz XQSJIVXCWFBSBK-UHFFFAOYSA-N 0 0 163.151 2.220 10 30 AEEERN CC1(C=O)C2CCC1CC2 238253244 573015808 /nfs/dbraw/zinc/01/58/08/573015808.db2.gz HPANMTLMYDGRNA-UHFFFAOYSA-N 0 0 138.210 2.012 10 30 AEEERN C=C(C)CC#C[C@H](O)CCC 238252598 573015821 /nfs/dbraw/zinc/01/58/21/573015821.db2.gz XROPTTDZMGCRDZ-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN C=C1C(=O)CC[C@@H]2CCCC(=O)C12 238253287 573016181 /nfs/dbraw/zinc/01/61/81/573016181.db2.gz VZPHRIBEEXWYEA-QMMMGPOBSA-N 0 0 178.231 2.035 10 30 AEEERN CC1=C2CC[C@]2(C)CCC1=O 238252908 573015875 /nfs/dbraw/zinc/01/58/75/573015875.db2.gz UTPLDIOQVWMFAY-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN C=C[C@H](C)OC(=O)c1csc(C)n1 308224776 573015972 /nfs/dbraw/zinc/01/59/72/573015972.db2.gz DLHOMUYYKANGFZ-LURJTMIESA-N 0 0 197.259 2.183 10 30 AEEERN C=C1C(=O)C[C@@H]2CCCCC(=O)C12 238253307 573016128 /nfs/dbraw/zinc/01/61/28/573016128.db2.gz AJQJIDRVWYNSOW-QMMMGPOBSA-N 0 0 178.231 2.035 10 30 AEEERN COc1c(F)cccc1[C@@H](F)C=O 257923478 573016163 /nfs/dbraw/zinc/01/61/63/573016163.db2.gz RSPWEBOGVZNLJY-QMMMGPOBSA-N 0 0 186.157 2.044 10 30 AEEERN O[C@@H](CS)c1ccccc1Cl 258225120 573016563 /nfs/dbraw/zinc/01/65/63/573016563.db2.gz QYPLPACPHVPHJB-QMMMGPOBSA-N 0 0 188.679 2.303 10 30 AEEERN CC[C@@H](C#N)Cc1cccnc1 259311336 573016599 /nfs/dbraw/zinc/01/65/99/573016599.db2.gz KNRFDNRVXYKNGO-SECBINFHSA-N 0 0 160.220 2.174 10 30 AEEERN C=C1CCCN(C(=O)CCCC)C1 308475610 573016988 /nfs/dbraw/zinc/01/69/88/573016988.db2.gz LVKZAKZVRRSRJS-UHFFFAOYSA-N 0 0 181.279 2.355 10 30 AEEERN N#Cc1cc2cccc(Cl)c2nn1 259596009 573017022 /nfs/dbraw/zinc/01/70/22/573017022.db2.gz FVIUBMNWCLPKDC-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN C=C1C(=O)CC[C@H]2CCCC(=O)C12 238253437 573017056 /nfs/dbraw/zinc/01/70/56/573017056.db2.gz VZPHRIBEEXWYEA-MRVPVSSYSA-N 0 0 178.231 2.035 10 30 AEEERN CC1=CC(=O)C[C@@H]2CCC[C@@H]12 238254059 573017096 /nfs/dbraw/zinc/01/70/96/573017096.db2.gz DGDKVFWPIXNWFM-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)c1ccccc1[C@H](N)C#N 259595698 573017557 /nfs/dbraw/zinc/01/75/57/573017557.db2.gz GIIYTCNESKUMLM-LLVKDONJSA-N 0 0 174.247 2.333 10 30 AEEERN C=CC[C@H]1CCC(C)=C[C@@H]1O 238254052 573017874 /nfs/dbraw/zinc/01/78/74/573017874.db2.gz NLPPRRDJNHUPIJ-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@@H](O)[C@@H](CC=C(C)C)OC 308226640 573018148 /nfs/dbraw/zinc/01/81/48/573018148.db2.gz RAPVJMJKNZEFLS-GHMZBOCLSA-N 0 0 184.279 2.295 10 30 AEEERN C=CC[C@H](O)[C@H](CC=C(C)C)OC 308227126 573018174 /nfs/dbraw/zinc/01/81/74/573018174.db2.gz RAPVJMJKNZEFLS-QWRGUYRKSA-N 0 0 184.279 2.295 10 30 AEEERN N#C[C@@H]1c2conc2CCC12CC2 259595609 573018331 /nfs/dbraw/zinc/01/83/31/573018331.db2.gz GGQAYENJYLDAPM-MRVPVSSYSA-N 0 0 174.203 2.008 10 30 AEEERN CC1(C)C[C@]2(C#N)CCCC(=O)[C@H]12 238253606 573018378 /nfs/dbraw/zinc/01/83/78/573018378.db2.gz JAGYEJWAVPXCJP-KOLCDFICSA-N 0 0 177.247 2.295 10 30 AEEERN COc1ccc2c(c1)C[C@H](CC#N)C2 259596113 573018643 /nfs/dbraw/zinc/01/86/43/573018643.db2.gz FASLUHTZAYUZQO-SECBINFHSA-N 0 0 187.242 2.324 10 30 AEEERN CC(C)c1ccccc1[C@@H](N)C#N 259595700 573018658 /nfs/dbraw/zinc/01/86/58/573018658.db2.gz GIIYTCNESKUMLM-NSHDSACASA-N 0 0 174.247 2.333 10 30 AEEERN C#C[C@H](CC)OC(=O)/C(=C\C)CC 308227168 573018684 /nfs/dbraw/zinc/01/86/84/573018684.db2.gz NHMFWZLGDBCVLH-HYHWUIIZSA-N 0 0 180.247 2.298 10 30 AEEERN CC1(C)C[C@@]12C=CC=CC(=O)C2 238253441 573018707 /nfs/dbraw/zinc/01/87/07/573018707.db2.gz ALFBIMCXVKCHJP-NSHDSACASA-N 0 0 162.232 2.488 10 30 AEEERN Cc1ncc(C(=O)CCCC#N)s1 259595895 573018816 /nfs/dbraw/zinc/01/88/16/573018816.db2.gz FUJSITHPXZMHSD-UHFFFAOYSA-N 0 0 194.259 2.328 10 30 AEEERN CC1=CC(=O)C[C@H](c2ccc[nH]2)C1 238254112 573019217 /nfs/dbraw/zinc/01/92/17/573019217.db2.gz DTTHRWVPOMCTFI-SECBINFHSA-N 0 0 175.231 2.408 10 30 AEEERN COc1ccccc1CC(F)(F)C#N 258224584 573019494 /nfs/dbraw/zinc/01/94/94/573019494.db2.gz YVWNOKZUKWRXJU-UHFFFAOYSA-N 0 0 197.184 2.397 10 30 AEEERN CC1=C2[C@@H](CCC[C@H]2O)[C@@H](C=O)CC1 238253517 573019516 /nfs/dbraw/zinc/01/95/16/573019516.db2.gz SLIPVVQHDIQAHV-OUAUKWLOSA-N 0 0 194.274 2.073 10 30 AEEERN C=CCN(CC)C[C@@H](F)C(F)(F)F 308225461 573019519 /nfs/dbraw/zinc/01/95/19/573019519.db2.gz MTXSDNSCSPTLLH-SSDOTTSWSA-N 0 0 199.191 2.395 10 30 AEEERN CC=C1C(=O)C=C(C)C(=O)C1CC 141725897 573019584 /nfs/dbraw/zinc/01/95/84/573019584.db2.gz PKZUHSPLWQJKOR-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN CC1=CC(=O)C2=CCC[C@@H]2C1 238253707 573019815 /nfs/dbraw/zinc/01/98/15/573019815.db2.gz PSGGLCDJKFTQKM-MRVPVSSYSA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@H](O)[C@@H](CC=C(C)C)OC 308227127 573019821 /nfs/dbraw/zinc/01/98/21/573019821.db2.gz RAPVJMJKNZEFLS-WDEREUQCSA-N 0 0 184.279 2.295 10 30 AEEERN COC[C@@H](C#N)Sc1ccccc1 308485272 573019871 /nfs/dbraw/zinc/01/98/71/573019871.db2.gz OUQJLGAOQPMYQC-SNVBAGLBSA-N 0 0 193.271 2.317 10 30 AEEERN N#C[C@H](c1cocn1)C1CCCC1 259595711 573019880 /nfs/dbraw/zinc/01/98/80/573019880.db2.gz GIVMZDFYXBJTMD-VIFPVBQESA-N 0 0 176.219 2.472 10 30 AEEERN CCC[C@@H](O)C1=CCCCCC1=O 238254196 573019887 /nfs/dbraw/zinc/01/98/87/573019887.db2.gz PJUAFGMTKYYROS-SNVBAGLBSA-N 0 0 182.263 2.217 10 30 AEEERN CC(C)/C=N\[C@H](CO)c1ccccc1 308484354 573019988 /nfs/dbraw/zinc/01/99/88/573019988.db2.gz KSUPUKGJXGHKJX-YFBAIUBQSA-N 0 0 191.274 2.447 10 30 AEEERN CCOC1=CC(C)(C)C[C@@H]1C=O 238254128 573020003 /nfs/dbraw/zinc/02/00/03/573020003.db2.gz VPPXPXAMWMAQFL-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN N#C[C@H]1CSCCC12CC2 259595617 573020423 /nfs/dbraw/zinc/02/04/23/573020423.db2.gz CKLNZUWJSQFZIQ-ZETCQYMHSA-N 0 0 153.250 2.043 10 30 AEEERN CC(C)C1([C@@H]2CO2)CCC1 23834039 573020482 /nfs/dbraw/zinc/02/04/82/573020482.db2.gz XESWJGOSSKUIFP-QMMMGPOBSA-N 0 0 140.226 2.212 10 30 AEEERN CC(C)/C=N/[C@H](CO)c1ccccc1 308484348 573020486 /nfs/dbraw/zinc/02/04/86/573020486.db2.gz KSUPUKGJXGHKJX-FMNNIJNLSA-N 0 0 191.274 2.447 10 30 AEEERN N#C[C@H]1c2conc2CCC12CC2 259595613 573020571 /nfs/dbraw/zinc/02/05/71/573020571.db2.gz GGQAYENJYLDAPM-QMMMGPOBSA-N 0 0 174.203 2.008 10 30 AEEERN COc1cc(C(C)(C)C#N)ccc1N 141717862 573020576 /nfs/dbraw/zinc/02/05/76/573020576.db2.gz ICDWMPHGQIBEMC-UHFFFAOYSA-N 0 0 190.246 2.079 10 30 AEEERN C=COc1ccc(C#N)cc1OC 85503231 573020582 /nfs/dbraw/zinc/02/05/82/573020582.db2.gz OVQRRAAFDSLSHC-UHFFFAOYSA-N 0 0 175.187 2.089 10 30 AEEERN N#C[C@H]1CCn2cc(Cl)cc21 259595509 573021060 /nfs/dbraw/zinc/02/10/60/573021060.db2.gz GFUUFNKKEMEMLP-ZCFIWIBFSA-N 0 0 166.611 2.152 10 30 AEEERN C=CCCCC[NH2+][C@H](C)CCC(=O)[O-] 308483636 573021070 /nfs/dbraw/zinc/02/10/70/573021070.db2.gz NMDNJELHOOIGFM-SNVBAGLBSA-N 0 0 199.294 2.186 10 30 AEEERN CC1=C2[C@H](O)CCC[C@@H]2[C@@H](C=O)CC1 238253495 573020984 /nfs/dbraw/zinc/02/09/84/573020984.db2.gz SLIPVVQHDIQAHV-GMTAPVOTSA-N 0 0 194.274 2.073 10 30 AEEERN C=CC[C@H](O)Cc1cccc(F)c1F 128310026 573021109 /nfs/dbraw/zinc/02/11/09/573021109.db2.gz MGPTYCGIUNIEJB-VIFPVBQESA-N 0 0 198.212 2.444 10 30 AEEERN C=CCN(CC)C(=O)C(F)=C(C)C 308227194 573021148 /nfs/dbraw/zinc/02/11/48/573021148.db2.gz NIOPTOGJQLDZTL-UHFFFAOYSA-N 0 0 185.242 2.284 10 30 AEEERN CC1=CC(=O)C[C@@H](c2ccc[nH]2)C1 238253888 573021151 /nfs/dbraw/zinc/02/11/51/573021151.db2.gz DTTHRWVPOMCTFI-VIFPVBQESA-N 0 0 175.231 2.408 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C(=C\C)CC 308227166 573021180 /nfs/dbraw/zinc/02/11/80/573021180.db2.gz NHMFWZLGDBCVLH-BSKOKIOFSA-N 0 0 180.247 2.298 10 30 AEEERN C=CCN=NC(C)CCC(F)(F)F 308226718 573021193 /nfs/dbraw/zinc/02/11/93/573021193.db2.gz FBFFXHGBEWEISW-UHFFFAOYSA-N 0 0 194.200 2.480 10 30 AEEERN COc1ccc2c(c1)C[C@@H](CC#N)C2 259596116 573021307 /nfs/dbraw/zinc/02/13/07/573021307.db2.gz FASLUHTZAYUZQO-VIFPVBQESA-N 0 0 187.242 2.324 10 30 AEEERN CC1=CC(=O)C2=CCC[C@H]2C1 238253722 573021335 /nfs/dbraw/zinc/02/13/35/573021335.db2.gz PSGGLCDJKFTQKM-QMMMGPOBSA-N 0 0 148.205 2.242 10 30 AEEERN N#C[C@@H](c1cocn1)C1CCCC1 259595709 573021428 /nfs/dbraw/zinc/02/14/28/573021428.db2.gz GIVMZDFYXBJTMD-SECBINFHSA-N 0 0 176.219 2.472 10 30 AEEERN CC(=Nn1cccc1)c1cccc(N)c1 308839207 573021473 /nfs/dbraw/zinc/02/14/73/573021473.db2.gz MQWGKQVTZUMCJS-UHFFFAOYSA-N 0 0 199.257 2.343 10 30 AEEERN CN[C@H](S)c1ccc(Cl)cc1 259313199 573021688 /nfs/dbraw/zinc/02/16/88/573021688.db2.gz JLFUOGTWAZXBBZ-MRVPVSSYSA-N 0 0 187.695 2.488 10 30 AEEERN C#C[C@H](CC)OC(=O)/C(=C/C)CC 308227169 573021919 /nfs/dbraw/zinc/02/19/19/573021919.db2.gz NHMFWZLGDBCVLH-NAZIUFLLSA-N 0 0 180.247 2.298 10 30 AEEERN C=C[C@]1(C)C(=O)[C@H]2CC(C)=C[C@@H]21 238255706 573022047 /nfs/dbraw/zinc/02/20/47/573022047.db2.gz XFGKBBQXRKYSPI-QXEWZRGKSA-N 0 0 162.232 2.344 10 30 AEEERN CC1(C)C[C@]2(C=O)CCC[C@H]12 238254390 573022109 /nfs/dbraw/zinc/02/21/09/573022109.db2.gz FLNYYIZPRYZQCC-SCZZXKLOSA-N 0 0 152.237 2.402 10 30 AEEERN COC[C@H](C#N)Sc1ccccc1 308485271 573022170 /nfs/dbraw/zinc/02/21/70/573022170.db2.gz OUQJLGAOQPMYQC-JTQLQIEISA-N 0 0 193.271 2.317 10 30 AEEERN C=CCCCC[NH2+][C@@H](C)CCC(=O)[O-] 308483634 573022236 /nfs/dbraw/zinc/02/22/36/573022236.db2.gz NMDNJELHOOIGFM-JTQLQIEISA-N 0 0 199.294 2.186 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccc(C)o1 308225455 573022302 /nfs/dbraw/zinc/02/23/02/573022302.db2.gz DOJHXDDYEXXMFA-ZETCQYMHSA-N 0 0 180.203 2.319 10 30 AEEERN CC1=CC(=O)[C@@H]2CCC[C@@H]2C1 238255318 573022392 /nfs/dbraw/zinc/02/23/92/573022392.db2.gz LZBIEIIDHZFTBV-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=CC(=O)[C@@H]2C(C)=C(C)[C@]2(C)O1 238255150 573022426 /nfs/dbraw/zinc/02/24/26/573022426.db2.gz GMCMPYKKDJUDIE-QWRGUYRKSA-N 0 0 178.231 2.214 10 30 AEEERN C=C(C)/C=N/[S@](=O)C(C)(C)C 104575636 573022568 /nfs/dbraw/zinc/02/25/68/573022568.db2.gz ZIZCVTVWVPVQHF-LAHYYIKRSA-N 0 0 173.281 2.096 10 30 AEEERN C=C1C[C@@H]2C(=O)C=C(C)[C@H]2C1 238255791 573022581 /nfs/dbraw/zinc/02/25/81/573022581.db2.gz KKHJIXJDJLOXIP-BDAKNGLRSA-N 0 0 148.205 2.098 10 30 AEEERN COc1ccc2c(c1)C(C)=CC2=O 113689571 573022644 /nfs/dbraw/zinc/02/26/44/573022644.db2.gz BGEBSVSKEASYQJ-UHFFFAOYSA-N 0 0 174.199 2.295 10 30 AEEERN CON=C1COc2c1ccc(C)c2C 308484858 573022748 /nfs/dbraw/zinc/02/27/48/573022748.db2.gz NTJMOMKWNXETMM-UHFFFAOYSA-N 0 0 191.230 2.046 10 30 AEEERN C=CC(=C)C[C@H](O)CCC 238254555 573022895 /nfs/dbraw/zinc/02/28/95/573022895.db2.gz LQRDPRORSXSSHI-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN C/C=C/C=N/[S@@](=O)C(C)(C)C 104575631 573022957 /nfs/dbraw/zinc/02/29/57/573022957.db2.gz FMFUYXIGXKIMED-YGYMRCJISA-N 0 0 173.281 2.096 10 30 AEEERN C/C=C1\C(=O)C2CCC1CC2 113689758 573023548 /nfs/dbraw/zinc/02/35/48/573023548.db2.gz COSZSEIHVDLGHZ-MBXJOHMKSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=C[C@@H]2C[C@H](C=O)[C@H](C1)C2 238255047 573023838 /nfs/dbraw/zinc/02/38/38/573023838.db2.gz JTGRXKIHYIIZSC-IVZWLZJFSA-N 0 0 150.221 2.178 10 30 AEEERN CC1=CC(=O)C[C@H]2CCC[C@@H]12 238254238 573023866 /nfs/dbraw/zinc/02/38/66/573023866.db2.gz DGDKVFWPIXNWFM-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=CC(=O)[C@@H]2C(C)=C(C)[C@@]2(C)O1 238255143 573024081 /nfs/dbraw/zinc/02/40/81/573024081.db2.gz GMCMPYKKDJUDIE-WDEREUQCSA-N 0 0 178.231 2.214 10 30 AEEERN CCCC[C@@H](C)[C@@H](F)C=O 238254626 573024107 /nfs/dbraw/zinc/02/41/07/573024107.db2.gz VJEKXOVEDVROGS-SFYZADRCSA-N 0 0 146.205 2.350 10 30 AEEERN CC1=CC(=O)[C@@H]2CCC[C@H]2C1 238255366 573024252 /nfs/dbraw/zinc/02/42/52/573024252.db2.gz LZBIEIIDHZFTBV-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN CCOC1=C[C@H](C)[C@H](C=O)CC1 238254838 573024259 /nfs/dbraw/zinc/02/42/59/573024259.db2.gz WQJKFOOXHJIQKH-IUCAKERBSA-N 0 0 168.236 2.152 10 30 AEEERN CCOC1=C[C@H](C)[C@@H](C=O)C[C@@H]1C 238254829 573024433 /nfs/dbraw/zinc/02/44/33/573024433.db2.gz FVSHSTNPZPPNNE-LPEHRKFASA-N 0 0 182.263 2.398 10 30 AEEERN COCc1cc(Cl)cc(C#N)c1F 258228956 573024485 /nfs/dbraw/zinc/02/44/85/573024485.db2.gz VUERYHWSKJNYJW-UHFFFAOYSA-N 0 0 199.612 2.497 10 30 AEEERN CCOC1=C[C@@H](C)[C@@H](C=O)CC1 238254624 573025206 /nfs/dbraw/zinc/02/52/06/573025206.db2.gz WQJKFOOXHJIQKH-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C=C[C@](C)(CO)COC1CCCC1 308228393 573025818 /nfs/dbraw/zinc/02/58/18/573025818.db2.gz RQDPAGJMGRXBCU-LLVKDONJSA-N 0 0 184.279 2.130 10 30 AEEERN CCOC1=CC[C@H](C=O)C[C@@H]1C 238254502 573025338 /nfs/dbraw/zinc/02/53/38/573025338.db2.gz TVLXARHVXDBHRZ-IUCAKERBSA-N 0 0 168.236 2.152 10 30 AEEERN CCOC1=C[C@H](C)[C@H](C=O)C[C@@H]1C 238254846 573025351 /nfs/dbraw/zinc/02/53/51/573025351.db2.gz FVSHSTNPZPPNNE-GUBZILKMSA-N 0 0 182.263 2.398 10 30 AEEERN C=CCCCC(=O)O[C@H](C)CC#N 308227507 573025497 /nfs/dbraw/zinc/02/54/97/573025497.db2.gz FLBOXGFQOYKYRC-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C=CC[C@@H]1CCC(C)=C[C@@H]1O 238254236 573025503 /nfs/dbraw/zinc/02/55/03/573025503.db2.gz NLPPRRDJNHUPIJ-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN N#Cc1ccn(CC=C2CCC2)c1 306202139 573025692 /nfs/dbraw/zinc/02/56/92/573025692.db2.gz RLSFFWGLRMFDMU-UHFFFAOYSA-N 0 0 172.231 2.470 10 30 AEEERN CCCC[C@@H](C)[C@H](F)C=O 238254934 573025777 /nfs/dbraw/zinc/02/57/77/573025777.db2.gz VJEKXOVEDVROGS-HTQZYQBOSA-N 0 0 146.205 2.350 10 30 AEEERN C=C[C@@H]1C[C@H]2C(=C)[C@@H](O)[C@@H]1C=C2C 238255865 573025784 /nfs/dbraw/zinc/02/57/84/573025784.db2.gz BBGGCWBENMWXKD-DDHJBXDOSA-N 0 0 176.259 2.302 10 30 AEEERN C#C[C@@H](C(C)C)[C@@H](O)CCCC 308120172 573025879 /nfs/dbraw/zinc/02/58/79/573025879.db2.gz OQQOYCPCFACIMR-QWRGUYRKSA-N 0 0 168.280 2.443 10 30 AEEERN C=CCCCC(=O)O[C@@H](C)CC#N 308227508 573025908 /nfs/dbraw/zinc/02/59/08/573025908.db2.gz FLBOXGFQOYKYRC-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN C=C[C@H]1CCCC[C@@H]1C(=O)NCC 238255140 573026374 /nfs/dbraw/zinc/02/63/74/573026374.db2.gz BTBFRPKYBBZXJW-UWVGGRQHSA-N 0 0 181.279 2.115 10 30 AEEERN CCOC1=C[C@@H](C)[C@H](C=O)CC1 238254650 573026421 /nfs/dbraw/zinc/02/64/21/573026421.db2.gz WQJKFOOXHJIQKH-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN CC1=C[C@H]2C=C[C@@H](C1=O)C2(C)C 238254628 573026450 /nfs/dbraw/zinc/02/64/50/573026450.db2.gz KQRQYGKNHSOOKE-BDAKNGLRSA-N 0 0 162.232 2.344 10 30 AEEERN CCOC1=CC[C@@H](C=O)C[C@H]1C 238254439 573026536 /nfs/dbraw/zinc/02/65/36/573026536.db2.gz TVLXARHVXDBHRZ-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C=C1C[C@H]2C(=O)C=C(C)[C@@H]2C1 238255180 573026544 /nfs/dbraw/zinc/02/65/44/573026544.db2.gz KKHJIXJDJLOXIP-DTWKUNHWSA-N 0 0 148.205 2.098 10 30 AEEERN C=C1C[C@@H]2C(C)=CC(=O)[C@@H]2C1 238255172 573026563 /nfs/dbraw/zinc/02/65/63/573026563.db2.gz KKHJIXJDJLOXIP-RKDXNWHRSA-N 0 0 148.205 2.098 10 30 AEEERN C=CC[C@]1(C)C=CC(C)=C[C@@H]1O 238254333 573026588 /nfs/dbraw/zinc/02/65/88/573026588.db2.gz QETPLDJPCSIVBQ-WDEREUQCSA-N 0 0 164.248 2.446 10 30 AEEERN CC1=CC(=O)C[C@H]2CCC[C@H]12 238254229 573026770 /nfs/dbraw/zinc/02/67/70/573026770.db2.gz DGDKVFWPIXNWFM-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)/C=N/[S@@](=O)C(C)(C)C 104575634 573026827 /nfs/dbraw/zinc/02/68/27/573026827.db2.gz ZIZCVTVWVPVQHF-OALRPVAKSA-N 0 0 173.281 2.096 10 30 AEEERN C[C@@H](C#N)C(=O)C(C1CC1)C1CC1 308232361 573026970 /nfs/dbraw/zinc/02/69/70/573026970.db2.gz UDMXGJNKOYIKBM-ZETCQYMHSA-N 0 0 177.247 2.151 10 30 AEEERN CC1(C)N=NC2=C1C(=O)CCC=C2 238255700 573026991 /nfs/dbraw/zinc/02/69/91/573026991.db2.gz FEGNYCGBIXJTKO-UHFFFAOYSA-N 0 0 176.219 2.404 10 30 AEEERN CC(C)[C@@H]1CC(=O)C2=C1CCCO2 100231751 573027708 /nfs/dbraw/zinc/02/77/08/573027708.db2.gz UBFJBADIFZUGKJ-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN O=CC1([C@@H]2CC=CCC2)CC1 141745371 573027811 /nfs/dbraw/zinc/02/78/11/573027811.db2.gz IAVVVXQPAGXSEY-SECBINFHSA-N 0 0 150.221 2.322 10 30 AEEERN COC[C@@H](C)C(C)=NNC(C)(C)C 308478175 573027835 /nfs/dbraw/zinc/02/78/35/573027835.db2.gz MMYBDRHNQKLNDU-MRVPVSSYSA-N 0 0 186.299 2.033 10 30 AEEERN CC1=C(CCC=O)[C@@H]2CC(=O)[C@@H]2CC1 238248232 573027896 /nfs/dbraw/zinc/02/78/96/573027896.db2.gz YOCZPCRLQAHNJX-MNOVXSKESA-N 0 0 192.258 2.281 10 30 AEEERN CC1=C[C@](C)(CCC=O)C(=O)C(C)=C1 238256425 573027929 /nfs/dbraw/zinc/02/79/29/573027929.db2.gz UHYUQZNUXXQBHZ-LBPRGKRZSA-N 0 0 192.258 2.447 10 30 AEEERN CCN(CC#N)C[C@@H]1CC[C@H](C)C1 308229271 573027933 /nfs/dbraw/zinc/02/79/33/573027933.db2.gz OCQDWILAJTZHJB-WDEREUQCSA-N 0 0 180.295 2.268 10 30 AEEERN CC1=CC(=O)c2cccn2CC1 238256329 573027936 /nfs/dbraw/zinc/02/79/36/573027936.db2.gz RFXIROHGTORCFV-UHFFFAOYSA-N 0 0 161.204 2.021 10 30 AEEERN COC[C@H](C)C(C)=NNC(C)(C)C 308478179 573028281 /nfs/dbraw/zinc/02/82/81/573028281.db2.gz MMYBDRHNQKLNDU-QMMMGPOBSA-N 0 0 186.299 2.033 10 30 AEEERN CCC(CC)NN=CCCCOC 308478105 573029116 /nfs/dbraw/zinc/02/91/16/573029116.db2.gz MLXVJWJLWDYYSU-UHFFFAOYSA-N 0 0 186.299 2.177 10 30 AEEERN CCCNC1=C(C(C)=O)CCC1 238248212 573029139 /nfs/dbraw/zinc/02/91/39/573029139.db2.gz IBFAKPOPPVXEPD-UHFFFAOYSA-N 0 0 167.252 2.013 10 30 AEEERN CO/N=C1/CCOc2ccc(C)cc21 113813179 573029215 /nfs/dbraw/zinc/02/92/15/573029215.db2.gz PQXMCJHBSNVRDL-BENRWUELSA-N 0 0 191.230 2.128 10 30 AEEERN CC1=C[C@](C)(Cl)C=CC1=O 238256537 573029277 /nfs/dbraw/zinc/02/92/77/573029277.db2.gz DYNAVBWRDQAZGT-MRVPVSSYSA-N 0 0 156.612 2.069 10 30 AEEERN N#CCc1ccc2c(c1)CCCN2 259314250 573029282 /nfs/dbraw/zinc/02/92/82/573029282.db2.gz WCBVZLILCZOKIU-UHFFFAOYSA-N 0 0 172.231 2.111 10 30 AEEERN Cc1cc(C)c(CC#N)c(O)c1C 259313679 573029305 /nfs/dbraw/zinc/02/93/05/573029305.db2.gz FMORRVDEAXCQKN-UHFFFAOYSA-N 0 0 175.231 2.384 10 30 AEEERN C=C[C@@H]1CC[C@@H]2C(C)=CC(=O)[C@@H]12 238256120 573029316 /nfs/dbraw/zinc/02/93/16/573029316.db2.gz JTDNHQOEGTUEBJ-KKZNHRDASA-N 0 0 162.232 2.344 10 30 AEEERN CC1(C)N=N[C@@H]2CCC=CC(=O)[C@@H]21 238248352 573029325 /nfs/dbraw/zinc/02/93/25/573029325.db2.gz QIKFHSGLSPJITE-VXNVDRBHSA-N 0 0 178.235 2.135 10 30 AEEERN Cc1ccncc1C1=CC(=O)CC1 85442713 573029449 /nfs/dbraw/zinc/02/94/49/573029449.db2.gz LXOJUMUCZBKEAC-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN CC1=CC(=O)[C@H]2CCC[C@H]2C1 238255975 573029523 /nfs/dbraw/zinc/02/95/23/573029523.db2.gz LZBIEIIDHZFTBV-IUCAKERBSA-N 0 0 150.221 2.322 10 30 AEEERN C#C[C@H](C)OC(=O)C(C)(C)CC=C 308178425 573029752 /nfs/dbraw/zinc/02/97/52/573029752.db2.gz UFYTYCGFHHLIPZ-VIFPVBQESA-N 0 0 180.247 2.154 10 30 AEEERN CC1=CC(=NNC[C@@H]2C[C@@H]2C)CC1 308230547 573029742 /nfs/dbraw/zinc/02/97/42/573029742.db2.gz GLMXEPMDTOVGOB-UWVGGRQHSA-N 0 0 178.279 2.328 10 30 AEEERN CCN/C(=N/O)c1ccccc1Cl 238248193 573029778 /nfs/dbraw/zinc/02/97/78/573029778.db2.gz QCGKYXOBOLCDAF-UHFFFAOYSA-N 0 0 198.653 2.085 10 30 AEEERN CC1=CC(=NNC[C@H]2C[C@H]2C)CC1 308230543 573029863 /nfs/dbraw/zinc/02/98/63/573029863.db2.gz GLMXEPMDTOVGOB-NXEZZACHSA-N 0 0 178.279 2.328 10 30 AEEERN C=C[C@@H]1CC[C@H]2C(C)=CC(=O)[C@@H]12 238256131 573030480 /nfs/dbraw/zinc/03/04/80/573030480.db2.gz JTDNHQOEGTUEBJ-YWVKMMECSA-N 0 0 162.232 2.344 10 30 AEEERN Cn1cccc1C#C[Si](C)(C)C 197966725 573030633 /nfs/dbraw/zinc/03/06/33/573030633.db2.gz KWQKDDURZXXMJO-UHFFFAOYSA-N 0 0 177.323 2.254 10 30 AEEERN CC1=C[C@](C)(Cl)C(C)=CC1=O 238256531 573030635 /nfs/dbraw/zinc/03/06/35/573030635.db2.gz YLLTVLJVNDPGMB-VIFPVBQESA-N 0 0 170.639 2.459 10 30 AEEERN CCN/C(=N/O)c1ccc(Cl)cc1 238248175 573030663 /nfs/dbraw/zinc/03/06/63/573030663.db2.gz UFNPVGXZYCEHOX-UHFFFAOYSA-N 0 0 198.653 2.085 10 30 AEEERN Oc1ccccc1CCC[C@H]1CO1 238727583 573030803 /nfs/dbraw/zinc/03/08/03/573030803.db2.gz DYQBLSFYRNMMJJ-JTQLQIEISA-N 0 0 178.231 2.114 10 30 AEEERN CC1=C(CCC=O)[C@H]2CC(=O)[C@H]2CC1 238248258 573030845 /nfs/dbraw/zinc/03/08/45/573030845.db2.gz YOCZPCRLQAHNJX-WDEREUQCSA-N 0 0 192.258 2.281 10 30 AEEERN CC[C@H](C=O)Oc1ccccc1 36455839 573030862 /nfs/dbraw/zinc/03/08/62/573030862.db2.gz PJNMCGWKYLOSEE-SECBINFHSA-N 0 0 164.204 2.043 10 30 AEEERN C=CCCC1=C(CO)[C@@H](O)CC1(C)C 238248473 573031512 /nfs/dbraw/zinc/03/15/12/573031512.db2.gz IWKNLZSGAFWFOX-NSHDSACASA-N 0 0 196.290 2.032 10 30 AEEERN CC1=CC2(C=C(C)C1=O)CC2 238256820 573031290 /nfs/dbraw/zinc/03/12/90/573031290.db2.gz JMBGUAUUJYBMPV-UHFFFAOYSA-N 0 0 148.205 2.242 10 30 AEEERN Cc1[nH]c2cccc(C#N)c2c1C=O 257930723 573031310 /nfs/dbraw/zinc/03/13/10/573031310.db2.gz SVMMVFNUHHJZAC-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN CCCC[C@H]1OC(C)=CC1=O 238248355 573031868 /nfs/dbraw/zinc/03/18/68/573031868.db2.gz FOHRJSGCTJKUIF-SECBINFHSA-N 0 0 154.209 2.048 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1C[C@@H]1CCC 308234990 573032089 /nfs/dbraw/zinc/03/20/89/573032089.db2.gz QNAKSTAXMSRZJN-GUBZILKMSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1C[C@H]1CCC 308234988 573032527 /nfs/dbraw/zinc/03/25/27/573032527.db2.gz QNAKSTAXMSRZJN-AEJSXWLSSA-N 0 0 181.279 2.113 10 30 AEEERN O=C[C@@H]1CC[C@@H]2CCCC[C@H]21 141797751 573032680 /nfs/dbraw/zinc/03/26/80/573032680.db2.gz GHXIYCZBWPNERE-LPEHRKFASA-N 0 0 152.237 2.402 10 30 AEEERN C=CCNc1cc(C)nc(C)c1C#N 87975059 573032815 /nfs/dbraw/zinc/03/28/15/573032815.db2.gz GLBVURSQKQUENU-UHFFFAOYSA-N 0 0 187.246 2.168 10 30 AEEERN CCCC[C@@H]1C(=O)CC[C@H]1C#N 238249864 573032834 /nfs/dbraw/zinc/03/28/34/573032834.db2.gz ATJTXLNWCIQFMP-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C=C1[C@@H](CCCC)[C@@H](O)OC1(C)C 238249682 573032893 /nfs/dbraw/zinc/03/28/93/573032893.db2.gz BAGOLEABYKVNSC-ZJUUUORDSA-N 0 0 184.279 2.476 10 30 AEEERN C=C1COc2ccccc2C1 141815458 573033032 /nfs/dbraw/zinc/03/30/32/573033032.db2.gz ICZBSCRKSPBNPR-UHFFFAOYSA-N 0 0 146.189 2.178 10 30 AEEERN C=C1[C@@H](CCCC)[C@H](O)OC1(C)C 238250037 573033151 /nfs/dbraw/zinc/03/31/51/573033151.db2.gz BAGOLEABYKVNSC-NXEZZACHSA-N 0 0 184.279 2.476 10 30 AEEERN O=CC[C@H]1CNc2cccc(Cl)c21 258231143 573033200 /nfs/dbraw/zinc/03/32/00/573033200.db2.gz WLXCIGJAUWVUPP-ZETCQYMHSA-N 0 0 195.649 2.438 10 30 AEEERN O=CC[C@H]1Cc2cc(Cl)ccc2O1 258231351 573033314 /nfs/dbraw/zinc/03/33/14/573033314.db2.gz WMNXTBPQPIIWQS-VIFPVBQESA-N 0 0 196.633 2.233 10 30 AEEERN COc1ccc(C[C@@]2(C)CO2)cc1 82420006 573033320 /nfs/dbraw/zinc/03/33/20/573033320.db2.gz NQQXPUBFNDVYJP-NSHDSACASA-N 0 0 178.231 2.027 10 30 AEEERN CC[C@@H](C=O)Oc1ccccc1 36455838 573033392 /nfs/dbraw/zinc/03/33/92/573033392.db2.gz PJNMCGWKYLOSEE-VIFPVBQESA-N 0 0 164.204 2.043 10 30 AEEERN C=CC[C@@H]1CCC(C)=C[C@H]1O 238248883 573033540 /nfs/dbraw/zinc/03/35/40/573033540.db2.gz NLPPRRDJNHUPIJ-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN CCc1c(C)csc1C#N 259597779 573033822 /nfs/dbraw/zinc/03/38/22/573033822.db2.gz CMFUYQSQYZYJKQ-UHFFFAOYSA-N 0 0 151.234 2.491 10 30 AEEERN Cc1cc(C(C)(C)C#N)ccc1N 141817132 573033829 /nfs/dbraw/zinc/03/38/29/573033829.db2.gz OWJCUAYXYSSMPO-UHFFFAOYSA-N 0 0 174.247 2.378 10 30 AEEERN O=C[C@H]1C[C@H]1c1cc(F)ccc1F 113850784 573033882 /nfs/dbraw/zinc/03/38/82/573033882.db2.gz NJWRLIAINMRBMF-HTRCEHHLSA-N 0 0 182.169 2.267 10 30 AEEERN CCN(C)N=C/C=C/c1ccco1 308235920 573033929 /nfs/dbraw/zinc/03/39/29/573033929.db2.gz QXAUIFVBFZIZDE-BXLJZCKOSA-N 0 0 178.235 2.230 10 30 AEEERN C=C=C(CC=O)CCC 238249492 573033990 /nfs/dbraw/zinc/03/39/90/573033990.db2.gz PZDOWRWMDUERKD-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN O=CC[C@H]1CCc2c(O)cccc21 257925792 573034165 /nfs/dbraw/zinc/03/41/65/573034165.db2.gz SDMGURIKAMTDAR-MRVPVSSYSA-N 0 0 176.215 2.011 10 30 AEEERN C=CCC(=O)C[C@H](O)CCCCC 308236603 573034194 /nfs/dbraw/zinc/03/41/94/573034194.db2.gz WGMBUTXCXISEBG-LLVKDONJSA-N 0 0 184.279 2.463 10 30 AEEERN C=CC[C@H]1CCC(C)=C[C@H]1O 238248590 573034212 /nfs/dbraw/zinc/03/42/12/573034212.db2.gz NLPPRRDJNHUPIJ-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C/C=C\C#C[C@H](O)c1ccccc1 308170885 573034559 /nfs/dbraw/zinc/03/45/59/573034559.db2.gz VRRMSQVGMMJPBB-DLGQBQFBSA-N 0 0 172.227 2.300 10 30 AEEERN CC1=C(O[C@H]2C=CCC2)C(=O)CC1 238249173 573035048 /nfs/dbraw/zinc/03/50/48/573035048.db2.gz KZSCOLIXEWGMBR-VIFPVBQESA-N 0 0 178.231 2.359 10 30 AEEERN Cc1ccc(-c2ccc(C#N)n2C)o1 259598024 573034748 /nfs/dbraw/zinc/03/47/48/573034748.db2.gz FDKBJUPTLVEEEZ-UHFFFAOYSA-N 0 0 186.214 2.465 10 30 AEEERN C=Cc1ccccc1[C@@H](N)CC#N 104581152 573034798 /nfs/dbraw/zinc/03/47/98/573034798.db2.gz HJWJEMLPIJYTKR-NSHDSACASA-N 0 0 172.231 2.243 10 30 AEEERN C[C@@H](O)c1cc(C#N)cc2ccoc12 141801390 573034840 /nfs/dbraw/zinc/03/48/40/573034840.db2.gz QUTPCTBXPWDPLC-SSDOTTSWSA-N 0 0 187.198 2.358 10 30 AEEERN CCN(C)N=C/C=C\c1ccco1 308235921 573034872 /nfs/dbraw/zinc/03/48/72/573034872.db2.gz QXAUIFVBFZIZDE-RTRXGCAWSA-N 0 0 178.235 2.230 10 30 AEEERN N#C[C@@H]1CCCn2cc(C3CC3)nc21 259597999 573035264 /nfs/dbraw/zinc/03/52/64/573035264.db2.gz FDAFRPAKCRQRRV-VIFPVBQESA-N 0 0 187.246 2.161 10 30 AEEERN CCc1csc(CCC#N)n1 259315841 573035305 /nfs/dbraw/zinc/03/53/05/573035305.db2.gz RPCHWARIDIVZFA-UHFFFAOYSA-N 0 0 166.249 2.162 10 30 AEEERN C=C[C@@H](CO)SCCCC 238248648 573035496 /nfs/dbraw/zinc/03/54/96/573035496.db2.gz MBQMJCGNASCWFH-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN N#C[C@H]1CCCn2cc(C3CC3)nc21 259597996 573035558 /nfs/dbraw/zinc/03/55/58/573035558.db2.gz FDAFRPAKCRQRRV-SECBINFHSA-N 0 0 187.246 2.161 10 30 AEEERN CC(C)Cc1[nH]ccc1C#N 259597786 573035569 /nfs/dbraw/zinc/03/55/69/573035569.db2.gz CMMGQJRRWDKQSJ-UHFFFAOYSA-N 0 0 148.209 2.085 10 30 AEEERN CCn1c(C)ccc1CCC#N 259597823 573035587 /nfs/dbraw/zinc/03/55/87/573035587.db2.gz CNBROERJLRKHBH-UHFFFAOYSA-N 0 0 162.236 2.273 10 30 AEEERN Cc1c(C2CC2)nc2cc(C#N)ccn12 224570996 573035668 /nfs/dbraw/zinc/03/56/68/573035668.db2.gz CDJBPXKFUGTKJO-UHFFFAOYSA-N 0 0 197.241 2.392 10 30 AEEERN C=CC[C@@]1(C)C=CC(C)=C[C@H]1O 238248785 573036061 /nfs/dbraw/zinc/03/60/61/573036061.db2.gz QETPLDJPCSIVBQ-MNOVXSKESA-N 0 0 164.248 2.446 10 30 AEEERN CC1Cc2ccccc2C(=O)C1=O 238248950 573036160 /nfs/dbraw/zinc/03/61/60/573036160.db2.gz PIGKAHDROIVJRR-UHFFFAOYSA-N 0 0 174.199 2.257 10 30 AEEERN CC1=C(O[C@@H]2C=CCC2)C(=O)CC1 238249199 573036209 /nfs/dbraw/zinc/03/62/09/573036209.db2.gz KZSCOLIXEWGMBR-SECBINFHSA-N 0 0 178.231 2.359 10 30 AEEERN C=CC[C@]1(C)C=CC(C)=C[C@H]1O 238249039 573036328 /nfs/dbraw/zinc/03/63/28/573036328.db2.gz QETPLDJPCSIVBQ-GHMZBOCLSA-N 0 0 164.248 2.446 10 30 AEEERN CCCC[C@@H]1C(=O)CC[C@@H]1C#N 238249321 573036493 /nfs/dbraw/zinc/03/64/93/573036493.db2.gz ATJTXLNWCIQFMP-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN O=C[C@H]1C[C@@H]1c1cc(F)ccc1F 113850786 573036591 /nfs/dbraw/zinc/03/65/91/573036591.db2.gz NJWRLIAINMRBMF-SVRRBLITSA-N 0 0 182.169 2.267 10 30 AEEERN CC(C)(C)c1ccc([C@H](N)C=O)cc1 259317355 573036601 /nfs/dbraw/zinc/03/66/01/573036601.db2.gz KTCLAXCJTPOGSQ-LLVKDONJSA-N 0 0 191.274 2.183 10 30 AEEERN CCO[C@H](C=O)C1(CC)CCC1 686130791 573036703 /nfs/dbraw/zinc/03/67/03/573036703.db2.gz IYAYCSXKKUNDTC-SECBINFHSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@H]1CCC[C@@](C=O)(COC)C1 317580725 573037343 /nfs/dbraw/zinc/03/73/43/573037343.db2.gz NCFWSWAEVQEXEU-WDEREUQCSA-N 0 0 184.279 2.418 10 30 AEEERN CCCCCC[C@H](C)[C@H]1O[C@@H]1CO 308237048 573037932 /nfs/dbraw/zinc/03/79/32/573037932.db2.gz WOWMTJZAPWQABK-HBNTYKKESA-N 0 0 186.295 2.353 10 30 AEEERN C=C[C@@H]1CNc2ccccc2C1 224814176 573038333 /nfs/dbraw/zinc/03/83/33/573038333.db2.gz HUWBUBQGHUKDAM-VIFPVBQESA-N 0 0 159.232 2.457 10 30 AEEERN C#C[C@@H](C)OC(=O)/C=C(\C)CCC 308233772 573038564 /nfs/dbraw/zinc/03/85/64/573038564.db2.gz QALWPQBMANPBIQ-AAXQSMANSA-N 0 0 180.247 2.298 10 30 AEEERN O=C[C@@H]1C[C@@H]1c1cc(F)ccc1F 113850790 573038623 /nfs/dbraw/zinc/03/86/23/573038623.db2.gz NJWRLIAINMRBMF-XPUUQOCRSA-N 0 0 182.169 2.267 10 30 AEEERN Cc1ccc(C(=O)C=CO)cc1F 123489867 573038706 /nfs/dbraw/zinc/03/87/06/573038706.db2.gz XKWQFKUZFZPROZ-SNAWJCMRSA-N 0 0 180.178 2.389 10 30 AEEERN O=CC[C@@H]1CCc2c(O)cccc21 257925793 573038783 /nfs/dbraw/zinc/03/87/83/573038783.db2.gz SDMGURIKAMTDAR-QMMMGPOBSA-N 0 0 176.215 2.011 10 30 AEEERN O=C[C@@H]1C[C@H]1c1cc(F)ccc1F 113850788 573038964 /nfs/dbraw/zinc/03/89/64/573038964.db2.gz NJWRLIAINMRBMF-POYBYMJQSA-N 0 0 182.169 2.267 10 30 AEEERN Cc1ccc(CC(F)(F)C=O)cc1 257925803 573039129 /nfs/dbraw/zinc/03/91/29/573039129.db2.gz SDUFXVXGKZRZAK-UHFFFAOYSA-N 0 0 184.185 2.372 10 30 AEEERN C#C[C@H](O)/C(C)=C/CC1=CCCC1 141848162 573039511 /nfs/dbraw/zinc/03/95/11/573039511.db2.gz FEPAUUBHYAUTFR-OANVXVOSSA-N 0 0 176.259 2.427 10 30 AEEERN C=C[C@]12CCC(=O)[C@H](C=C1C)C2 238250135 573039607 /nfs/dbraw/zinc/03/96/07/573039607.db2.gz DVKZNZJNZIVCJY-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN CCC[C@H](C=O)[NH2+]Cc1ccccc1 238250236 573039671 /nfs/dbraw/zinc/03/96/71/573039671.db2.gz NOUGIMNKVCJSMJ-GFCCVEGCSA-N 0 0 191.274 2.144 10 30 AEEERN CCCCCC[C@H](C)[C@H]1O[C@H]1CO 308237041 573039819 /nfs/dbraw/zinc/03/98/19/573039819.db2.gz WOWMTJZAPWQABK-GARJFASQSA-N 0 0 186.295 2.353 10 30 AEEERN CC(C)(C)c1ccc([C@@H](N)C=O)cc1 259317359 573039923 /nfs/dbraw/zinc/03/99/23/573039923.db2.gz KTCLAXCJTPOGSQ-NSHDSACASA-N 0 0 191.274 2.183 10 30 AEEERN CC1=CC[C@H]2C=CC(=O)[C@@H]2C1 238260490 573039863 /nfs/dbraw/zinc/03/98/63/573039863.db2.gz XSEREOKLSIBUKU-DTWKUNHWSA-N 0 0 148.205 2.098 10 30 AEEERN C#C[C@@H](O)/C(C)=C/CC1=CCCC1 141848557 573039948 /nfs/dbraw/zinc/03/99/48/573039948.db2.gz FEPAUUBHYAUTFR-ZJNQMXKESA-N 0 0 176.259 2.427 10 30 AEEERN C=CCN(CC)C(=O)CC1CCC1 308233343 573040117 /nfs/dbraw/zinc/04/01/17/573040117.db2.gz PVLCIPJSUUXQNU-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN N#Cc1ccc(N2CCC2)cc1Cl 306535612 573040154 /nfs/dbraw/zinc/04/01/54/573040154.db2.gz PUBQSZAUTSTYHN-UHFFFAOYSA-N 0 0 192.649 2.422 10 30 AEEERN C=CC(=C)[C@@H](O)[C@@H]1CC1(C)C 238250324 573040224 /nfs/dbraw/zinc/04/02/24/573040224.db2.gz XNURXNYMUGIRSC-DTWKUNHWSA-N 0 0 152.237 2.136 10 30 AEEERN CCC[C@]1(C)CCC(=O)C1=O 238260501 573040259 /nfs/dbraw/zinc/04/02/59/573040259.db2.gz YGQNVMIBUUOHGX-SECBINFHSA-N 0 0 154.209 2.208 10 30 AEEERN CC[C@@H]1CCC[C@@](C=O)(COC)C1 317580711 573040271 /nfs/dbraw/zinc/04/02/71/573040271.db2.gz NCFWSWAEVQEXEU-GHMZBOCLSA-N 0 0 184.279 2.418 10 30 AEEERN CCC(COc1ccccc1F)=NO 308233467 573041297 /nfs/dbraw/zinc/04/12/97/573041297.db2.gz NIIKWRDHXRKMLX-UHFFFAOYSA-N 0 0 197.209 2.445 10 30 AEEERN CCCCCC[C@H](C)[C@@H]1O[C@H]1CO 308237033 573040653 /nfs/dbraw/zinc/04/06/53/573040653.db2.gz WOWMTJZAPWQABK-DCAQKATOSA-N 0 0 186.295 2.353 10 30 AEEERN CCC[C@@H](C)Cn1cc(C#N)cn1 308233241 573040689 /nfs/dbraw/zinc/04/06/89/573040689.db2.gz UTUVOZOZQWGJBP-SECBINFHSA-N 0 0 177.251 2.191 10 30 AEEERN CCC[C@@]1(C)C=CC(=O)C1 238260416 573040736 /nfs/dbraw/zinc/04/07/36/573040736.db2.gz WYHXBDDXMVURHE-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CCCCCC[C@H](C)[C@@H]1O[C@@H]1CO 308237024 573040824 /nfs/dbraw/zinc/04/08/24/573040824.db2.gz WOWMTJZAPWQABK-AXFHLTTASA-N 0 0 186.295 2.353 10 30 AEEERN CCC[C@H](C)Cn1cc(C#N)cn1 308233242 573040916 /nfs/dbraw/zinc/04/09/16/573040916.db2.gz UTUVOZOZQWGJBP-VIFPVBQESA-N 0 0 177.251 2.191 10 30 AEEERN N#Cc1cc([O-])c2sccc2c1O 306535782 573041034 /nfs/dbraw/zinc/04/10/34/573041034.db2.gz GNJNNCSXYUGJLK-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN CCO[C@@H](C=O)C1(CC)CCC1 686130792 573041066 /nfs/dbraw/zinc/04/10/66/573041066.db2.gz IYAYCSXKKUNDTC-VIFPVBQESA-N 0 0 170.252 2.171 10 30 AEEERN CC1=CC[C@H]2C=CC(=O)[C@H]2C1 238260498 573041152 /nfs/dbraw/zinc/04/11/52/573041152.db2.gz XSEREOKLSIBUKU-IUCAKERBSA-N 0 0 148.205 2.098 10 30 AEEERN C=CC(=C)[C@H](O)[C@@H]1CC1(C)C 238250248 573041162 /nfs/dbraw/zinc/04/11/62/573041162.db2.gz XNURXNYMUGIRSC-IUCAKERBSA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@@]1(CC)C=C[C@@H](O)CC1 238275011 573041704 /nfs/dbraw/zinc/04/17/04/573041704.db2.gz GPTNQXJWHSJOOV-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC(=O)C=CC(C)C 113941607 573042522 /nfs/dbraw/zinc/04/25/22/573042522.db2.gz IYFOTWOTWXCOEN-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN CC1=CC(=O)C=C(C(C)(C)C)C1=O 113932698 573042614 /nfs/dbraw/zinc/04/26/14/573042614.db2.gz NPGZGVPKRJYKCI-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN C=C[C@H](O)C[Si](C)(C)CC 238272713 573042629 /nfs/dbraw/zinc/04/26/29/573042629.db2.gz TYDQIEPKGKSQNL-QMMMGPOBSA-N 0 0 158.317 2.262 10 30 AEEERN Cc1ccc2c(ccn2CC=O)c1 82452323 573042666 /nfs/dbraw/zinc/04/26/66/573042666.db2.gz PBSXIIKUKZTAOB-UHFFFAOYSA-N 0 0 173.215 2.149 10 30 AEEERN CC1CCC(C(=O)C(C#N)C#N)CC1 123502334 573042672 /nfs/dbraw/zinc/04/26/72/573042672.db2.gz DWCQYFOUTVMXBH-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN CC1(C)CC(=O)C=C(NC2CCC2)C1 113934246 573043336 /nfs/dbraw/zinc/04/33/36/573043336.db2.gz OTVBTGSOAJRIQS-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN Cc1c(C#N)sc2[nH]c(=O)ccc12 259317955 573043883 /nfs/dbraw/zinc/04/38/83/573043883.db2.gz CUEXYLSQEAYQII-UHFFFAOYSA-N 0 0 190.227 2.182 10 30 AEEERN COc1cc(C)c(C(=O)C#N)cc1C 259034515 573044763 /nfs/dbraw/zinc/04/47/63/573044763.db2.gz AFIGHWLOKVVUJG-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@H]1CCO 308233859 573044491 /nfs/dbraw/zinc/04/44/91/573044491.db2.gz UYDIUVRSVQJZKH-QWRGUYRKSA-N 0 0 184.279 2.273 10 30 AEEERN O[C@@H](CCS)C1CCCCC1 259317535 573044632 /nfs/dbraw/zinc/04/46/32/573044632.db2.gz XSTHITQZVDIMHO-VIFPVBQESA-N 0 0 174.309 2.248 10 30 AEEERN C=CCN(CC)C(=O)/C=C/C=C/C 308234250 573044918 /nfs/dbraw/zinc/04/49/18/573044918.db2.gz QFIGMPFTLOWKIJ-NUXDXBQRSA-N 0 0 179.263 2.153 10 30 AEEERN C/C(=N\O)c1ccc(F)cc1C 113918794 573044934 /nfs/dbraw/zinc/04/49/34/573044934.db2.gz QRIGQBSLHNAMLQ-YRNVUSSQSA-N 0 0 167.183 2.332 10 30 AEEERN CC[C@@H](C)OC1=C(C)CCC1=O 238259344 573045244 /nfs/dbraw/zinc/04/52/44/573045244.db2.gz KBFZCJFWJLKOAG-MRVPVSSYSA-N 0 0 168.236 2.438 10 30 AEEERN C[C@@H](C#N)OCC1CCCC1 85487965 573045387 /nfs/dbraw/zinc/04/53/87/573045387.db2.gz LLLMFRZSWWJHRG-QMMMGPOBSA-N 0 0 153.225 2.105 10 30 AEEERN CC[C@@H](C)OC1=CC(=O)CC1 238259377 573046953 /nfs/dbraw/zinc/04/69/53/573046953.db2.gz VJGHDWBMIXNDPU-SSDOTTSWSA-N 0 0 154.209 2.048 10 30 AEEERN CC(C)=CCC[C@@]1(C)O[C@H]1CCO 308233860 573045579 /nfs/dbraw/zinc/04/55/79/573045579.db2.gz UYDIUVRSVQJZKH-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN CCc1cc(CC#N)c(C)cc1O 257935193 573045843 /nfs/dbraw/zinc/04/58/43/573045843.db2.gz CCOONLDCIQGXLI-UHFFFAOYSA-N 0 0 175.231 2.329 10 30 AEEERN COc1c(C)cc([C@H]2CO2)cc1C 259318620 573045811 /nfs/dbraw/zinc/04/58/11/573045811.db2.gz OCHWGOZLPMRBSX-SNVBAGLBSA-N 0 0 178.231 2.383 10 30 AEEERN CC1=CC[C@@H]2C=CC(=O)[C@@H]2C1 238259047 573045839 /nfs/dbraw/zinc/04/58/39/573045839.db2.gz XSEREOKLSIBUKU-RKDXNWHRSA-N 0 0 148.205 2.098 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C(/C)CCC 308233775 573045869 /nfs/dbraw/zinc/04/58/69/573045869.db2.gz QALWPQBMANPBIQ-QROTZFDESA-N 0 0 180.247 2.298 10 30 AEEERN CCOc1ccc(C(=O)C#N)cc1C 259319583 573045890 /nfs/dbraw/zinc/04/58/90/573045890.db2.gz XQGGULGJOLIRMK-UHFFFAOYSA-N 0 0 189.214 2.100 10 30 AEEERN C#C[C@@H](C)OC(=O)/C=C(/C)CCC 308233774 573045986 /nfs/dbraw/zinc/04/59/86/573045986.db2.gz QALWPQBMANPBIQ-HSTULFTRSA-N 0 0 180.247 2.298 10 30 AEEERN CCCCCCCCNN(C)C 113891014 573046011 /nfs/dbraw/zinc/04/60/11/573046011.db2.gz NCDSKRXSDQQGNY-UHFFFAOYSA-N 0 0 172.316 2.413 10 30 AEEERN CC[C@@H](C)OC1=CCCCC1=O 238259410 573046424 /nfs/dbraw/zinc/04/64/24/573046424.db2.gz RPCOJBOSJDQKIP-MRVPVSSYSA-N 0 0 168.236 2.438 10 30 AEEERN COc1csc(C(=O)[C@H](C)C#N)c1 88028607 573046437 /nfs/dbraw/zinc/04/64/37/573046437.db2.gz NRRBZPMENXENAO-ZCFIWIBFSA-N 0 0 195.243 2.099 10 30 AEEERN CC[C@@H](C)C#CCC(C)=O 238258285 573046728 /nfs/dbraw/zinc/04/67/28/573046728.db2.gz VJYHOCBLZZPHFM-MRVPVSSYSA-N 0 0 138.210 2.015 10 30 AEEERN C[C@H](C#N)OCC1CCCC1 85487967 573046785 /nfs/dbraw/zinc/04/67/85/573046785.db2.gz LLLMFRZSWWJHRG-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN N#CCCOCC1CCCC1 85487976 573046955 /nfs/dbraw/zinc/04/69/55/573046955.db2.gz MJXDQWKSFQOMIA-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN COc1csc(C(=O)[C@@H](C)C#N)c1 88028606 573046902 /nfs/dbraw/zinc/04/69/02/573046902.db2.gz NRRBZPMENXENAO-LURJTMIESA-N 0 0 195.243 2.099 10 30 AEEERN O[C@H](CCS)C1CCCCC1 259317534 573047341 /nfs/dbraw/zinc/04/73/41/573047341.db2.gz XSTHITQZVDIMHO-SECBINFHSA-N 0 0 174.309 2.248 10 30 AEEERN CC1(C)N[C@@](C)(C#N)C(C)(C)S1 238258803 573047624 /nfs/dbraw/zinc/04/76/24/573047624.db2.gz LZSPJQUSGTYGQP-VIFPVBQESA-N 0 0 184.308 2.120 10 30 AEEERN C=CCN(CC)C(=O)/C=C/C=C\C 308234249 573047693 /nfs/dbraw/zinc/04/76/93/573047693.db2.gz QFIGMPFTLOWKIJ-NKUJDFQBSA-N 0 0 179.263 2.153 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C(\C)CCC 308233773 573047824 /nfs/dbraw/zinc/04/78/24/573047824.db2.gz QALWPQBMANPBIQ-DDXVTDLHSA-N 0 0 180.247 2.298 10 30 AEEERN CC1(C)C[C@@]2(CO2)c2ccccc2O1 88037846 573047905 /nfs/dbraw/zinc/04/79/05/573047905.db2.gz OYKURAKMRWBYBY-GFCCVEGCSA-N 0 0 190.242 2.473 10 30 AEEERN N#CC[C@H](O)c1ccc(F)c(Cl)c1 88047082 573047989 /nfs/dbraw/zinc/04/79/89/573047989.db2.gz DLZRKSBUOYPHNH-VIFPVBQESA-N 0 0 199.612 2.426 10 30 AEEERN CCC[C@H](O)C#CC=C(C)C 238259501 573048134 /nfs/dbraw/zinc/04/81/34/573048134.db2.gz APPMJTBESROYDQ-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@@H]1CCO 308233858 573048301 /nfs/dbraw/zinc/04/83/01/573048301.db2.gz UYDIUVRSVQJZKH-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN CC[C@@H](C)OC1=CCCC1=O 238259394 573048331 /nfs/dbraw/zinc/04/83/31/573048331.db2.gz HELXNBNXFLRXII-SSDOTTSWSA-N 0 0 154.209 2.048 10 30 AEEERN C#CCC[C@@H](CC)OC(=O)C1CC1 308248314 573048364 /nfs/dbraw/zinc/04/83/64/573048364.db2.gz ZESJCLQGMIQPGP-SNVBAGLBSA-N 0 0 180.247 2.132 10 30 AEEERN O=C[C@@H](O)c1cccc2ccsc12 88038181 573048455 /nfs/dbraw/zinc/04/84/55/573048455.db2.gz SMWGRQFTWBVVHQ-SECBINFHSA-N 0 0 192.239 2.134 10 30 AEEERN CC1=CCC2=C(CCCC2=O)O1 238257693 573048504 /nfs/dbraw/zinc/04/85/04/573048504.db2.gz DCAYMSJOKWYAAZ-UHFFFAOYSA-N 0 0 164.204 2.318 10 30 AEEERN CC1CCC(OC[C@]2(C)CO2)CC1 85501688 573048569 /nfs/dbraw/zinc/04/85/69/573048569.db2.gz GRIVWUWNJXUQPN-VQXHTEKXSA-N 0 0 184.279 2.371 10 30 AEEERN Cc1cccc(OC[C@@]2(C)CO2)c1 85501620 573048577 /nfs/dbraw/zinc/04/85/77/573048577.db2.gz CNCXOBGCUKLCNF-NSHDSACASA-N 0 0 178.231 2.163 10 30 AEEERN C/C=C(\C)C#C[C@@H](O)CCC 238259438 573048694 /nfs/dbraw/zinc/04/86/94/573048694.db2.gz ALMJCEDNDSGDCT-CYNRKNSPSA-N 0 0 152.237 2.117 10 30 AEEERN C[C@@H]1CCCC[C@@H]1OC[C@]1(C)CO1 85501700 573048703 /nfs/dbraw/zinc/04/87/03/573048703.db2.gz IZYSCCFWMTWNED-OUAUKWLOSA-N 0 0 184.279 2.371 10 30 AEEERN CC1=CC[C@@H]2C=CC(=O)[C@H]2C1 238259058 573048745 /nfs/dbraw/zinc/04/87/45/573048745.db2.gz XSEREOKLSIBUKU-BDAKNGLRSA-N 0 0 148.205 2.098 10 30 AEEERN N#CC[C@@H](O)c1ccc(F)c(Cl)c1 88047081 573048782 /nfs/dbraw/zinc/04/87/82/573048782.db2.gz DLZRKSBUOYPHNH-SECBINFHSA-N 0 0 199.612 2.426 10 30 AEEERN CC(C)=CCC[C@@]1(C)O[C@@H]1CCO 308233857 573048830 /nfs/dbraw/zinc/04/88/30/573048830.db2.gz UYDIUVRSVQJZKH-GHMZBOCLSA-N 0 0 184.279 2.273 10 30 AEEERN Cc1ccc(F)c(OC[C@]2(C)CO2)c1 85501981 573048866 /nfs/dbraw/zinc/04/88/66/573048866.db2.gz ILWHGAMTIVFPOT-LLVKDONJSA-N 0 0 196.221 2.302 10 30 AEEERN C[C@@]1(COC2CCCCC2)CO1 85501661 573048881 /nfs/dbraw/zinc/04/88/81/573048881.db2.gz AHAWXOJNGKNKLQ-SNVBAGLBSA-N 0 0 170.252 2.125 10 30 AEEERN CC(C)(C)SC[C@]1(C)CO1 85502072 573048899 /nfs/dbraw/zinc/04/88/99/573048899.db2.gz BYBMDPGWTGOKDJ-QMMMGPOBSA-N 0 0 160.282 2.307 10 30 AEEERN CC1(C)C[C@]2(CO2)c2ccccc2O1 88037847 573049088 /nfs/dbraw/zinc/04/90/88/573049088.db2.gz OYKURAKMRWBYBY-LBPRGKRZSA-N 0 0 190.242 2.473 10 30 AEEERN Cc1ccccc1OC[C@]1(C)CO1 85501621 573049118 /nfs/dbraw/zinc/04/91/18/573049118.db2.gz YFICYZOKVRAKOU-LLVKDONJSA-N 0 0 178.231 2.163 10 30 AEEERN C[C@]1(CSC2CCCC2)CO1 85502169 573049138 /nfs/dbraw/zinc/04/91/38/573049138.db2.gz DKSGKPCEQAEYDU-SECBINFHSA-N 0 0 172.293 2.451 10 30 AEEERN Cc1cccc(OC[C@]2(C)CO2)c1C 85501591 573049175 /nfs/dbraw/zinc/04/91/75/573049175.db2.gz OGALKEIHJOTEDB-GFCCVEGCSA-N 0 0 192.258 2.471 10 30 AEEERN CCCCCC=NN[C@@H](C)CC#N 308248579 573049738 /nfs/dbraw/zinc/04/97/38/573049738.db2.gz ZQHQYZUGWQSIII-JTQLQIEISA-N 0 0 181.283 2.444 10 30 AEEERN C[C@@]1(CSC2CCCC2)CO1 85502170 573049381 /nfs/dbraw/zinc/04/93/81/573049381.db2.gz DKSGKPCEQAEYDU-VIFPVBQESA-N 0 0 172.293 2.451 10 30 AEEERN N#Cc1c(F)cc2cc[nH]c2c1F 257935361 573049387 /nfs/dbraw/zinc/04/93/87/573049387.db2.gz CHNAATOKLHPWLO-UHFFFAOYSA-N 0 0 178.141 2.318 10 30 AEEERN Cc1cccc(C)c1OC[C@]1(C)CO1 85501569 573049440 /nfs/dbraw/zinc/04/94/40/573049440.db2.gz SLGJTCWEXUTMBT-GFCCVEGCSA-N 0 0 192.258 2.471 10 30 AEEERN CC(C)(C)SC[C@@]1(C)CO1 85502071 573049482 /nfs/dbraw/zinc/04/94/82/573049482.db2.gz BYBMDPGWTGOKDJ-MRVPVSSYSA-N 0 0 160.282 2.307 10 30 AEEERN CCCCSC[C@]1(C)CO1 85502105 573049492 /nfs/dbraw/zinc/04/94/92/573049492.db2.gz JBAUGKNIFUARBW-QMMMGPOBSA-N 0 0 160.282 2.309 10 30 AEEERN C=C([C@@H](O)CCC)C(F)(F)F 238260219 573050767 /nfs/dbraw/zinc/05/07/67/573050767.db2.gz QVFRQKFZEXBBIJ-LURJTMIESA-N 0 0 168.158 2.266 10 30 AEEERN C[C@]1(COCc2cccs2)CO1 85501886 573050342 /nfs/dbraw/zinc/05/03/42/573050342.db2.gz FQWRDLRRRRHORG-VIFPVBQESA-N 0 0 184.260 2.054 10 30 AEEERN Cc1ccc(OC[C@@]2(C)CO2)cc1C 85501614 573050477 /nfs/dbraw/zinc/05/04/77/573050477.db2.gz PHLFSZRSYYRREB-LBPRGKRZSA-N 0 0 192.258 2.471 10 30 AEEERN C#CCCCOC(=O)C1(C)CCC1 308249062 573050838 /nfs/dbraw/zinc/05/08/38/573050838.db2.gz AIJJKUIQWVKPRW-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN Cc1ccc(OC[C@@]2(C)CO2)cc1 85501667 573050572 /nfs/dbraw/zinc/05/05/72/573050572.db2.gz XNTZRHUSBVSYFC-NSHDSACASA-N 0 0 178.231 2.163 10 30 AEEERN CN[C@@H](C#N)c1ccc(F)c(Cl)c1 88041201 573050847 /nfs/dbraw/zinc/05/08/47/573050847.db2.gz LDIATQMZBLNTSY-VIFPVBQESA-N 0 0 198.628 2.263 10 30 AEEERN Cc1ccc(OC[C@]2(C)CO2)cc1 85501666 573050727 /nfs/dbraw/zinc/05/07/27/573050727.db2.gz XNTZRHUSBVSYFC-LLVKDONJSA-N 0 0 178.231 2.163 10 30 AEEERN C#CCCCC(=O)O[C@@H](C)C(C)C 308248964 573050680 /nfs/dbraw/zinc/05/06/80/573050680.db2.gz GUHYGHKFFJTCKY-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN Cc1ccc(OC[C@]2(C)CO2)cc1C 85501613 573050693 /nfs/dbraw/zinc/05/06/93/573050693.db2.gz PHLFSZRSYYRREB-GFCCVEGCSA-N 0 0 192.258 2.471 10 30 AEEERN C=CCN(CC)C(=O)[C@H](C)CCC 308249771 573050820 /nfs/dbraw/zinc/05/08/20/573050820.db2.gz ASMMICVKHRROIV-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C[C@@H]1CCC[C@H](OC[C@]2(C)CO2)C1 85501794 573050883 /nfs/dbraw/zinc/05/08/83/573050883.db2.gz BVDCVNKABVIGDR-OUAUKWLOSA-N 0 0 184.279 2.371 10 30 AEEERN CCCCSC[C@@]1(C)CO1 85502106 573051074 /nfs/dbraw/zinc/05/10/74/573051074.db2.gz JBAUGKNIFUARBW-MRVPVSSYSA-N 0 0 160.282 2.309 10 30 AEEERN CC1CCC(OC[C@@]2(C)CO2)CC1 85501689 573051106 /nfs/dbraw/zinc/05/11/06/573051106.db2.gz GRIVWUWNJXUQPN-ILDUYXDCSA-N 0 0 184.279 2.371 10 30 AEEERN Cc1ccc(F)c(OC[C@@]2(C)CO2)c1 85501982 573051227 /nfs/dbraw/zinc/05/12/27/573051227.db2.gz ILWHGAMTIVFPOT-NSHDSACASA-N 0 0 196.221 2.302 10 30 AEEERN CC[C@H](C)SC[C@]1(C)CO1 85502066 573052032 /nfs/dbraw/zinc/05/20/32/573052032.db2.gz NMXPXXIQNSSJML-YUMQZZPRSA-N 0 0 160.282 2.307 10 30 AEEERN C=C[C@@H](C)NC(=O)/C=C/C(C)(C)C 308249283 573052063 /nfs/dbraw/zinc/05/20/63/573052063.db2.gz GUZBBWZTIVPJNO-FCZSHJHJSA-N 0 0 181.279 2.279 10 30 AEEERN Cc1ccc(OC[C@]2(C)CO2)c(C)c1 85501581 573052082 /nfs/dbraw/zinc/05/20/82/573052082.db2.gz XOTQLAKEABSSJK-GFCCVEGCSA-N 0 0 192.258 2.471 10 30 AEEERN CC[C@@H](CC#N)OC(=O)[C@@H](C)CC 308248869 573052260 /nfs/dbraw/zinc/05/22/60/573052260.db2.gz AHAQHFJONWGLHX-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN CCCCCC=NN[C@H](C)CC#N 308248580 573052301 /nfs/dbraw/zinc/05/23/01/573052301.db2.gz ZQHQYZUGWQSIII-SNVBAGLBSA-N 0 0 181.283 2.444 10 30 AEEERN Cc1ccc(OC[C@@]2(C)CO2)c(C)c1 85501582 573052321 /nfs/dbraw/zinc/05/23/21/573052321.db2.gz XOTQLAKEABSSJK-LBPRGKRZSA-N 0 0 192.258 2.471 10 30 AEEERN C#Cc1nc(C)[nH]c1CCCC 238260388 573052370 /nfs/dbraw/zinc/05/23/70/573052370.db2.gz CATJKHTXMURGJC-UHFFFAOYSA-N 0 0 162.236 2.042 10 30 AEEERN Cc1ccc(C)c(OC[C@@]2(C)CO2)c1 85501612 573052397 /nfs/dbraw/zinc/05/23/97/573052397.db2.gz KBWFPROOMOAOQI-LBPRGKRZSA-N 0 0 192.258 2.471 10 30 AEEERN CC(C)CSC[C@]1(C)CO1 85502081 573052461 /nfs/dbraw/zinc/05/24/61/573052461.db2.gz GNIPJAAJHQBQFS-QMMMGPOBSA-N 0 0 160.282 2.165 10 30 AEEERN CC[C@@H](C)SC[C@@]1(C)CO1 85502067 573052539 /nfs/dbraw/zinc/05/25/39/573052539.db2.gz NMXPXXIQNSSJML-HTQZYQBOSA-N 0 0 160.282 2.307 10 30 AEEERN C=CCN(CC)C(=O)[C@@H](C)CCC 308249769 573052553 /nfs/dbraw/zinc/05/25/53/573052553.db2.gz ASMMICVKHRROIV-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)C1(C)CCC1 686127183 573052636 /nfs/dbraw/zinc/05/26/36/573052636.db2.gz CDBWRPXPKGRLGB-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN CCC[C@@H](C)n1cc(C#N)cn1 238262084 573052654 /nfs/dbraw/zinc/05/26/54/573052654.db2.gz HIXQLOQVVRWICP-MRVPVSSYSA-N 0 0 163.224 2.116 10 30 AEEERN C[C@@H]1CCC[C@@H](OC[C@]2(C)CO2)C1 85501796 573052690 /nfs/dbraw/zinc/05/26/90/573052690.db2.gz BVDCVNKABVIGDR-GMTAPVOTSA-N 0 0 184.279 2.371 10 30 AEEERN C=COc1ccc(CC#N)cc1 85503237 573052751 /nfs/dbraw/zinc/05/27/51/573052751.db2.gz MLLRTRKLLBRUJN-UHFFFAOYSA-N 0 0 159.188 2.275 10 30 AEEERN CCO[C@@H]1C(C)=CCC[C@@]1(C)C=O 238262010 573052994 /nfs/dbraw/zinc/05/29/94/573052994.db2.gz ISZHMJQSFHZFLN-MNOVXSKESA-N 0 0 182.263 2.337 10 30 AEEERN CCC[C@H](O)C#C[Si](C)(C)CC 238259926 573053043 /nfs/dbraw/zinc/05/30/43/573053043.db2.gz SCYNWKBTHQNZDY-JTQLQIEISA-N 0 0 184.355 2.418 10 30 AEEERN C#C/C=C(\CC)[C@@H](O)CCC 238260111 573053120 /nfs/dbraw/zinc/05/31/20/573053120.db2.gz JRSOJAAJFJOERA-PCYYEKQGSA-N 0 0 152.237 2.117 10 30 AEEERN CC[C@H](C)CC(=O)O[C@H](C#N)CC 308249601 573053181 /nfs/dbraw/zinc/05/31/81/573053181.db2.gz ALMZUHMVFOUDBQ-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@@H](C)NC(=O)/C=C\C(C)(C)C 308249286 573053204 /nfs/dbraw/zinc/05/32/04/573053204.db2.gz GUZBBWZTIVPJNO-UFGYOYAJSA-N 0 0 181.279 2.279 10 30 AEEERN CC(C)/N=C1/OC(=O)c2ccccc21 114072241 573053230 /nfs/dbraw/zinc/05/32/30/573053230.db2.gz WSYDPDWUULVOSE-ZRDIBKRKSA-N 0 0 189.214 2.012 10 30 AEEERN C=CCNN=C1CCC12CCCC2 308249380 573053255 /nfs/dbraw/zinc/05/32/55/573053255.db2.gz DPKOGUXJLDDHQU-UHFFFAOYSA-N 0 0 178.279 2.472 10 30 AEEERN C=C(C)c1cccc(CCON)c1 257938160 573053420 /nfs/dbraw/zinc/05/34/20/573053420.db2.gz CQPUROODJXHPSE-UHFFFAOYSA-N 0 0 177.247 2.153 10 30 AEEERN C=C[C@H](C)NC(=O)/C=C\C(C)(C)C 308249285 573053562 /nfs/dbraw/zinc/05/35/62/573053562.db2.gz GUZBBWZTIVPJNO-FUOZMLNRSA-N 0 0 181.279 2.279 10 30 AEEERN CC[C@H](C)CC(=O)O[C@@H](C#N)CC 308249600 573053627 /nfs/dbraw/zinc/05/36/27/573053627.db2.gz ALMZUHMVFOUDBQ-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@@H](O)[C@@H](C)C#Cc1ccccc1 238273783 573053707 /nfs/dbraw/zinc/05/37/07/573053707.db2.gz IWYADHFETAWIQQ-WCQYABFASA-N 0 0 188.270 2.445 10 30 AEEERN CC#CCCCOC(=O)/C=C\CC 308248835 573053792 /nfs/dbraw/zinc/05/37/92/573053792.db2.gz AMANMZODHRQALV-TWGQIWQCSA-N 0 0 180.247 2.299 10 30 AEEERN C=CC[C@H](CC)CC=O 238259652 573054029 /nfs/dbraw/zinc/05/40/29/573054029.db2.gz FBCAZHRIJSMZAF-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)CC#C[C@@H](O)CCC 238259563 573054198 /nfs/dbraw/zinc/05/41/98/573054198.db2.gz XROPTTDZMGCRDZ-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN CCS/C=C/C#C[C@H](O)CC 238273855 573054322 /nfs/dbraw/zinc/05/43/22/573054322.db2.gz OPSBBGGLZIUAGL-BNICOGTQSA-N 0 0 170.277 2.028 10 30 AEEERN CC[C@H](C)N[C@H](C#N)C1(C)CCC1 686127180 573054482 /nfs/dbraw/zinc/05/44/82/573054482.db2.gz CDBWRPXPKGRLGB-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN CCOc1ccc([C@@H](O)CS)cc1 259319353 573054620 /nfs/dbraw/zinc/05/46/20/573054620.db2.gz UDEJIDNULYLHKH-JTQLQIEISA-N 0 0 198.287 2.049 10 30 AEEERN CCOc1cc(C#N)c(C)nc1Cl 238260283 573054764 /nfs/dbraw/zinc/05/47/64/573054764.db2.gz KBCQCWAAPVMIFA-UHFFFAOYSA-N 0 0 196.637 2.314 10 30 AEEERN CC[C@@H](O)[C@@H](C#N)c1ccccc1 238273652 573054824 /nfs/dbraw/zinc/05/48/24/573054824.db2.gz CMPFQXKAJMYFKL-WDEREUQCSA-N 0 0 175.231 2.065 10 30 AEEERN C/C=C/[C@H](O)C#C/C=C/SCC 238273826 573054831 /nfs/dbraw/zinc/05/48/31/573054831.db2.gz PZWABARVKMWFCY-CUFFDNATSA-N 0 0 182.288 2.194 10 30 AEEERN CCC[C@@H](O)[C@@H]1C=CC(=O)CC=CC1 238260025 573055527 /nfs/dbraw/zinc/05/55/27/573055527.db2.gz FZLFJPXAVRBEMU-QGGJLBMZSA-N 0 0 194.274 2.239 10 30 AEEERN CC[C@](C)(C#N)OC(=O)C=C(C)C 308250227 573055563 /nfs/dbraw/zinc/05/55/63/573055563.db2.gz ASWHMCUQXBMUBF-SNVBAGLBSA-N 0 0 181.235 2.188 10 30 AEEERN CCCC/C(=N/O)Nc1n[nH]cc1C 238260035 573055663 /nfs/dbraw/zinc/05/56/63/573055663.db2.gz LTPWZRDHEGQEES-UHFFFAOYSA-N 0 0 196.254 2.108 10 30 AEEERN C=C1C(=O)C(C)=C(C)C(=O)C1C 143899143 573055714 /nfs/dbraw/zinc/05/57/14/573055714.db2.gz MPEVQKMBEDBJOC-UHFFFAOYSA-N 0 0 164.204 2.294 10 30 AEEERN C=CCC1=CC[C@@H](C)CC1=O 141883923 573055893 /nfs/dbraw/zinc/05/58/93/573055893.db2.gz LTUVMHNABMMFBR-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@H](CC)C(=S)NC 238259626 573056034 /nfs/dbraw/zinc/05/60/34/573056034.db2.gz GIPKUJZNXUPAMU-ZETCQYMHSA-N 0 0 157.282 2.136 10 30 AEEERN CCS/C=C/C#C[C@@H](O)CC 238273808 573056247 /nfs/dbraw/zinc/05/62/47/573056247.db2.gz OPSBBGGLZIUAGL-ORZBULNSSA-N 0 0 170.277 2.028 10 30 AEEERN CCO[C@@H]1C(C)=CCC[C@]1(C)C=O 238262019 573056409 /nfs/dbraw/zinc/05/64/09/573056409.db2.gz ISZHMJQSFHZFLN-GHMZBOCLSA-N 0 0 182.263 2.337 10 30 AEEERN C#C[C@H](O)/C=C/CC1=CCCCC1 141880958 573056659 /nfs/dbraw/zinc/05/66/59/573056659.db2.gz QECSOLPQXAFXSJ-JXPAYYINSA-N 0 0 176.259 2.427 10 30 AEEERN CCC[C@@H](S)[C@H](CC)CO 238263505 573057042 /nfs/dbraw/zinc/05/70/42/573057042.db2.gz PFJAIVCAIFDUGK-HTQZYQBOSA-N 0 0 162.298 2.103 10 30 AEEERN CC[C@@H]1C=CCC(=O)C=CC1 238273984 573057113 /nfs/dbraw/zinc/05/71/13/573057113.db2.gz HUMUOAJBFRWKEB-WUKHSJSMSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(CCO)C[C@H](O)CCCCC 308240312 573057225 /nfs/dbraw/zinc/05/72/25/573057225.db2.gz YBPCNFYPSDOTNM-LLVKDONJSA-N 0 0 186.295 2.256 10 30 AEEERN O=C[C@]12CCCCC1=CC(=O)CC2 72986352 573057294 /nfs/dbraw/zinc/05/72/94/573057294.db2.gz SCTXXBVNLQIPES-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN C=C1[C@H](C(C)=O)[C@]1(C)CC 238274095 573057297 /nfs/dbraw/zinc/05/72/97/573057297.db2.gz RTCSURAXXYCSEY-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)N1C[C@H](C=O)c2ccccc21 257939123 573057325 /nfs/dbraw/zinc/05/73/25/573057325.db2.gz BPHFMWOSZPAWDU-SNVBAGLBSA-N 0 0 189.258 2.198 10 30 AEEERN C#C[C@@H]1C(C)=CC(=O)[C@@]1(C)CC 238274585 573057452 /nfs/dbraw/zinc/05/74/52/573057452.db2.gz XIAVJFQSVNJWQE-KOLCDFICSA-N 0 0 162.232 2.181 10 30 AEEERN C[C@H](C#N)CN(C)CC=C1CCC1 308250169 573057500 /nfs/dbraw/zinc/05/75/00/573057500.db2.gz HCDSFEGRBGHXFP-SNVBAGLBSA-N 0 0 178.279 2.188 10 30 AEEERN CC(C)(CCC#N)CNc1c[nH]cn1 308487773 573057701 /nfs/dbraw/zinc/05/77/01/573057701.db2.gz APFWBGVVDRVKOT-UHFFFAOYSA-N 0 0 192.266 2.152 10 30 AEEERN CC[C@@H]([NH3+])c1cc(F)ccc1C#N 238274294 573057599 /nfs/dbraw/zinc/05/75/99/573057599.db2.gz AHYFDJBHEHHTFQ-SNVBAGLBSA-N 0 0 178.210 2.107 10 30 AEEERN CCSC#C[C@H](O)c1ccccc1 238274219 573057650 /nfs/dbraw/zinc/05/76/50/573057650.db2.gz RNPYZUAAJHDLRS-NSHDSACASA-N 0 0 192.283 2.434 10 30 AEEERN CC(C)N1C[C@@H](C=O)c2ccccc21 257939121 573057654 /nfs/dbraw/zinc/05/76/54/573057654.db2.gz BPHFMWOSZPAWDU-JTQLQIEISA-N 0 0 189.258 2.198 10 30 AEEERN CCC1=CC(=O)[C@H](C)[C@@H](CC)O1 238274886 573058482 /nfs/dbraw/zinc/05/84/82/573058482.db2.gz IXSKYIGTJIUVLV-OIBJUYFYSA-N 0 0 168.236 2.294 10 30 AEEERN Cn1c(CS)cc2cc(N)ccc21 257938945 573058492 /nfs/dbraw/zinc/05/84/92/573058492.db2.gz FWQOKFHNMALIKE-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN C[C@@H](C#N)CN(C)CC=C1CCC1 308250167 573058519 /nfs/dbraw/zinc/05/85/19/573058519.db2.gz HCDSFEGRBGHXFP-JTQLQIEISA-N 0 0 178.279 2.188 10 30 AEEERN C=C(OCC)C1=C(C)C(=O)CC1 238274846 573058636 /nfs/dbraw/zinc/05/86/36/573058636.db2.gz OGDOUHPANNLWLA-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C(OCC)C(=O)C=C(C)C 238274681 573058671 /nfs/dbraw/zinc/05/86/71/573058671.db2.gz UKUHNJDFJHYHFJ-UHFFFAOYSA-N 0 0 154.209 2.072 10 30 AEEERN CCCc1cc(C#N)ccc1N 238273992 573058726 /nfs/dbraw/zinc/05/87/26/573058726.db2.gz KEDJTPWVXZFTFB-UHFFFAOYSA-N 0 0 160.220 2.093 10 30 AEEERN C#CCON[C@@H](CC)c1cccs1 308487674 573058738 /nfs/dbraw/zinc/05/87/38/573058738.db2.gz PWMLULGJISBURY-VIFPVBQESA-N 0 0 195.287 2.354 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)C1(C)CCC1 686127178 573059084 /nfs/dbraw/zinc/05/90/84/573059084.db2.gz CDBWRPXPKGRLGB-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN CCC(=O)c1cc(F)cc(C#N)c1 307018952 573059343 /nfs/dbraw/zinc/05/93/43/573059343.db2.gz XUAGSTHJEQXXRJ-UHFFFAOYSA-N 0 0 177.178 2.290 10 30 AEEERN C=CCN(CC)CC(F)(F)C(F)F 308240865 573059511 /nfs/dbraw/zinc/05/95/11/573059511.db2.gz SPFRDGPOUDYZRI-UHFFFAOYSA-N 0 0 199.191 2.395 10 30 AEEERN CCO/C(=C/C#CC[C@@H](C)O)CC 238274127 573059558 /nfs/dbraw/zinc/05/95/58/573059558.db2.gz CFTFQGDBUYSPDQ-OYVNLZQHSA-N 0 0 182.263 2.091 10 30 AEEERN C#C[C@@H](O)/C=C/CC1=CCCCC1 141880514 573059575 /nfs/dbraw/zinc/05/95/75/573059575.db2.gz QECSOLPQXAFXSJ-GCZGVDRJSA-N 0 0 176.259 2.427 10 30 AEEERN CC(C)=Nc1ccccc1N 104600630 573059585 /nfs/dbraw/zinc/05/95/85/573059585.db2.gz FEVWBVFTBBKQAQ-UHFFFAOYSA-N 0 0 148.209 2.381 10 30 AEEERN CC[C@@H]1C=CC(=O)CC=CC1 238273993 573059691 /nfs/dbraw/zinc/05/96/91/573059691.db2.gz IUDPZJJZHCDFBU-DJYJEJHSSA-N 0 0 150.221 2.488 10 30 AEEERN CCC[C@@H](S)[C@@H](CC)CO 238263474 573059723 /nfs/dbraw/zinc/05/97/23/573059723.db2.gz PFJAIVCAIFDUGK-JGVFFNPUSA-N 0 0 162.298 2.103 10 30 AEEERN CCC#C[C@H](O)CCCCC 143901736 573059779 /nfs/dbraw/zinc/05/97/79/573059779.db2.gz XQPLPQVUWGNASK-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN CCO[C@@H]1C[C@@H]2CC=CC[C@@H]2[C@@H]1C=O 238274106 573059810 /nfs/dbraw/zinc/05/98/10/573059810.db2.gz NHQSQJQYZQCXIZ-FIQHERPVSA-N 0 0 194.274 2.193 10 30 AEEERN C#CC[C@@H](CCC)C(C)=O 238263045 573059968 /nfs/dbraw/zinc/05/99/68/573059968.db2.gz UJIXZFCVOXYHHL-VIFPVBQESA-N 0 0 138.210 2.015 10 30 AEEERN Cc1cccc(N(C)C)c1CCC=O 259320297 573060236 /nfs/dbraw/zinc/06/02/36/573060236.db2.gz DNTGYFGEFNNHJB-UHFFFAOYSA-N 0 0 191.274 2.193 10 30 AEEERN CC[C@H]1OC(C)(C)C(C)=CC1=O 238274577 573060008 /nfs/dbraw/zinc/06/00/08/573060008.db2.gz SHUWIGTWBAIPSC-SECBINFHSA-N 0 0 168.236 2.089 10 30 AEEERN Nc1cccc2cc(CS)[nH]c12 257938390 573060047 /nfs/dbraw/zinc/06/00/47/573060047.db2.gz UXCBNIGGILGWQP-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN CCSC#C[C@@H](O)c1ccccc1 238274156 573060098 /nfs/dbraw/zinc/06/00/98/573060098.db2.gz RNPYZUAAJHDLRS-LLVKDONJSA-N 0 0 192.283 2.434 10 30 AEEERN C#C[C@H]1C(C)=CC(=O)[C@@]1(C)CC 238274031 573060176 /nfs/dbraw/zinc/06/01/76/573060176.db2.gz XIAVJFQSVNJWQE-ONGXEEELSA-N 0 0 162.232 2.181 10 30 AEEERN CC[C@H](C=O)Nc1ccccc1 238263255 573060274 /nfs/dbraw/zinc/06/02/74/573060274.db2.gz AJWCPSPGBOABGH-SECBINFHSA-N 0 0 163.220 2.076 10 30 AEEERN CCCCCC[C@@]1(C#N)C[C@@H]1CO 308243057 573060493 /nfs/dbraw/zinc/06/04/93/573060493.db2.gz ZTGGDHRDGSNWIX-MNOVXSKESA-N 0 0 181.279 2.479 10 30 AEEERN O=CC[C@H](F)c1cccc(F)c1 258474770 573060563 /nfs/dbraw/zinc/06/05/63/573060563.db2.gz IQWVIWBMUFLZNO-VIFPVBQESA-N 0 0 170.158 2.425 10 30 AEEERN C=C[C@H](C)Nc1nnc(CCC)s1 308243266 573060814 /nfs/dbraw/zinc/06/08/14/573060814.db2.gz TUFRCDXJBRPYJB-ZETCQYMHSA-N 0 0 197.307 2.477 10 30 AEEERN CCSC#C[C@H](O)c1cccs1 238274230 573060867 /nfs/dbraw/zinc/06/08/67/573060867.db2.gz GXRUGRKFPLQOLW-QMMMGPOBSA-N 0 0 198.312 2.496 10 30 AEEERN CCO[C@H]1C=C(C(C)=O)CCC1 238263183 573061098 /nfs/dbraw/zinc/06/10/98/573061098.db2.gz RBDDCBJFFBOIMX-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CCN(Cc1ccoc1)[C@H](C)C#N 308487535 573061110 /nfs/dbraw/zinc/06/11/10/573061110.db2.gz PTHKDXBQDPGYIO-SECBINFHSA-N 0 0 178.235 2.014 10 30 AEEERN CO[C@@H](C=O)CC1CCCCC1 258474723 573061147 /nfs/dbraw/zinc/06/11/47/573061147.db2.gz IQAZUDKQWRAGBJ-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN C#CCCC(=O)N[C@H](CC)CCC 308244905 573061159 /nfs/dbraw/zinc/06/11/59/573061159.db2.gz UVLALWCGFBGINP-SNVBAGLBSA-N 0 0 181.279 2.095 10 30 AEEERN C=CC[C@H](CC)NC(=O)/C=C\CC 308243707 573061220 /nfs/dbraw/zinc/06/12/20/573061220.db2.gz TZDVUJMVCHHRML-RNKPRXRFSA-N 0 0 181.279 2.424 10 30 AEEERN C=C(C)[C@@H](NCC)c1coc(C)n1 308200240 573061227 /nfs/dbraw/zinc/06/12/27/573061227.db2.gz UNUAVMJGWADHGU-SNVBAGLBSA-N 0 0 180.251 2.210 10 30 AEEERN C=CC[C@@H](CC)NC(=O)/C=C/CC 308243708 573061751 /nfs/dbraw/zinc/06/17/51/573061751.db2.gz TZDVUJMVCHHRML-TTZKWOQHSA-N 0 0 181.279 2.424 10 30 AEEERN C[C@@](F)(C=O)c1ccc(F)cc1 258474858 573061812 /nfs/dbraw/zinc/06/18/12/573061812.db2.gz ITILGCDMMBSKBQ-SECBINFHSA-N 0 0 170.158 2.209 10 30 AEEERN C=C1[C@@H](C(C)=O)[C@]1(C)CC 238274630 573061765 /nfs/dbraw/zinc/06/17/65/573061765.db2.gz RTCSURAXXYCSEY-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C#N)Cc1cccc(C=O)c1 114174857 573061856 /nfs/dbraw/zinc/06/18/56/573061856.db2.gz PBKACPWKVGTMTR-VIFPVBQESA-N 0 0 173.215 2.201 10 30 AEEERN C#CCCC(=O)N[C@@H](CC)CCC 308244904 573061893 /nfs/dbraw/zinc/06/18/93/573061893.db2.gz UVLALWCGFBGINP-JTQLQIEISA-N 0 0 181.279 2.095 10 30 AEEERN CCON=C(C)c1c(C)c[nH]c1C 308250339 573062066 /nfs/dbraw/zinc/06/20/66/573062066.db2.gz BGAQZLCJVSGENG-UHFFFAOYSA-N 0 0 180.251 2.392 10 30 AEEERN C=CC[C@@H](CC)NC(=O)/C=C\CC 308243709 573062132 /nfs/dbraw/zinc/06/21/32/573062132.db2.gz TZDVUJMVCHHRML-UJICNMFASA-N 0 0 181.279 2.424 10 30 AEEERN CSc1ccc2[nH]c(C#N)nc2c1 307015964 573062159 /nfs/dbraw/zinc/06/21/59/573062159.db2.gz OILWWSKJZSFSCE-UHFFFAOYSA-N 0 0 189.243 2.156 10 30 AEEERN CCC/C=C\C(=O)O[C@H](C)CC#N 308244206 573062458 /nfs/dbraw/zinc/06/24/58/573062458.db2.gz UHXNHTKLEZQMON-SSJHQANKSA-N 0 0 181.235 2.188 10 30 AEEERN CC[C@@H](O)C#Cc1cccc(C)c1 238265110 573062485 /nfs/dbraw/zinc/06/24/85/573062485.db2.gz YXJXHTNRZMFTCS-GFCCVEGCSA-N 0 0 174.243 2.117 10 30 AEEERN CSCCCN(CCC#N)C1CC1 128536057 573062507 /nfs/dbraw/zinc/06/25/07/573062507.db2.gz BOQVFRVLISIXOI-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN CCC/C=C/C(=O)O[C@@H](C)CC#N 308244205 573062662 /nfs/dbraw/zinc/06/26/62/573062662.db2.gz UHXNHTKLEZQMON-CYNONHLPSA-N 0 0 181.235 2.188 10 30 AEEERN C[C@](F)(C=O)c1ccc(F)cc1 258474859 573062711 /nfs/dbraw/zinc/06/27/11/573062711.db2.gz ITILGCDMMBSKBQ-VIFPVBQESA-N 0 0 170.158 2.209 10 30 AEEERN C#Cc1cc(F)c(CN(C)C)c(F)c1 114167242 573062722 /nfs/dbraw/zinc/06/27/22/573062722.db2.gz TZGXINPGKJJHJY-UHFFFAOYSA-N 0 0 195.212 2.008 10 30 AEEERN CC[C@@H](O)/C=C/C#C[Si](C)(C)C 238264564 573062826 /nfs/dbraw/zinc/06/28/26/573062826.db2.gz NIAIYXCEBFOTTH-QEHWCHDUSA-N 0 0 182.339 2.194 10 30 AEEERN CCOc1ncc(Cl)cc1C#N 238264554 573062911 /nfs/dbraw/zinc/06/29/11/573062911.db2.gz JMGUVHOGLCLRRN-UHFFFAOYSA-N 0 0 182.610 2.005 10 30 AEEERN CC[C@@H](O)C#C[Si](C)(C)CC 238265042 573063525 /nfs/dbraw/zinc/06/35/25/573063525.db2.gz MCERUSIZUMUTAN-SECBINFHSA-N 0 0 170.328 2.028 10 30 AEEERN O=CC[C@@H](F)c1cccc(F)c1 258474767 573063561 /nfs/dbraw/zinc/06/35/61/573063561.db2.gz IQWVIWBMUFLZNO-SECBINFHSA-N 0 0 170.158 2.425 10 30 AEEERN CCOC(=O)N=CNc1ccccc1 238265589 573063606 /nfs/dbraw/zinc/06/36/06/573063606.db2.gz UEDXCZUSKYSIRD-UHFFFAOYSA-N 0 0 192.218 2.093 10 30 AEEERN CC1=CC(=O)C=C(C)CC1 114100553 573063719 /nfs/dbraw/zinc/06/37/19/573063719.db2.gz ZGVOBNKMLOGPOQ-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC[C@@H](O)/C=C/C#Cc1ccccc1 238264582 573063780 /nfs/dbraw/zinc/06/37/80/573063780.db2.gz JHWMDOKDUQGXLE-SVTZGKHISA-N 0 0 186.254 2.365 10 30 AEEERN CCOc1ncccc1N=[N+]=[N-] 238265627 573064131 /nfs/dbraw/zinc/06/41/31/573064131.db2.gz KCZGSONZHBHIFQ-UHFFFAOYSA-N 0 0 164.168 2.422 10 30 AEEERN CCOCCCCCCC=O 238264089 573064255 /nfs/dbraw/zinc/06/42/55/573064255.db2.gz YBXLAACHZTUXJO-UHFFFAOYSA-N 0 0 158.241 2.172 10 30 AEEERN C=C[C@@H](C)Nc1nnc(CCC)s1 308243261 573064304 /nfs/dbraw/zinc/06/43/04/573064304.db2.gz TUFRCDXJBRPYJB-SSDOTTSWSA-N 0 0 197.307 2.477 10 30 AEEERN C=C[C@H](O)CCCCCC[C@@H]1CO1 308243121 573064457 /nfs/dbraw/zinc/06/44/57/573064457.db2.gz ZXQIJYQXGPSWMR-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN COc1ccc2c(CC=O)coc2c1 143909132 573064483 /nfs/dbraw/zinc/06/44/83/573064483.db2.gz PHIFROLMRJEMJS-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN C=C(c1ccccc1)[C@H](O)CC 238265438 573064694 /nfs/dbraw/zinc/06/46/94/573064694.db2.gz DMUTYUQVMSJODY-LLVKDONJSA-N 0 0 162.232 2.471 10 30 AEEERN CCC/C=C/C(=O)O[C@H](C)CC#N 308244208 573064898 /nfs/dbraw/zinc/06/48/98/573064898.db2.gz UHXNHTKLEZQMON-VUHVRTRXSA-N 0 0 181.235 2.188 10 30 AEEERN C=CC[C@@H](O)/C=C\C(F)(F)F 215060126 573065074 /nfs/dbraw/zinc/06/50/74/573065074.db2.gz HBWLSVQOLMKZFS-WWVFMHICSA-N 0 0 166.142 2.042 10 30 AEEERN CCC/C=C\C(=O)O[C@@H](C)CC#N 308244207 573065076 /nfs/dbraw/zinc/06/50/76/573065076.db2.gz UHXNHTKLEZQMON-UDIARPCQSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCC[C@H](O)C[C@@H](O)c1ccco1 308494602 573065198 /nfs/dbraw/zinc/06/51/98/573065198.db2.gz UTICEIYKQHXDOE-VHSXEESVSA-N 0 0 196.246 2.030 10 30 AEEERN CCCc1nc(NC)sc1C#N 259321968 573065238 /nfs/dbraw/zinc/06/52/38/573065238.db2.gz RVECKDQHIGOFIG-UHFFFAOYSA-N 0 0 181.264 2.009 10 30 AEEERN C=Cc1ccccc1C#C[C@H](O)CC 238265147 573065541 /nfs/dbraw/zinc/06/55/41/573065541.db2.gz WMOOWGORAMIUHG-CYBMUJFWSA-N 0 0 186.254 2.452 10 30 AEEERN CCC[C@@H]1CC(C)=CC1=O 238265668 573065677 /nfs/dbraw/zinc/06/56/77/573065677.db2.gz HRJLBJYIVALUMA-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H](CC#N)Nc1ccsc1 85534823 573065679 /nfs/dbraw/zinc/06/56/79/573065679.db2.gz CYPUVFCPMZRROK-ZETCQYMHSA-N 0 0 166.249 2.462 10 30 AEEERN C[C@H](C#N)CNc1ccsc1 85534608 573065864 /nfs/dbraw/zinc/06/58/64/573065864.db2.gz KPOCPRYLOASTRW-SSDOTTSWSA-N 0 0 166.249 2.320 10 30 AEEERN C[C@@]1(c2cccc(F)c2)C[C@H]1C=O 257939623 573065899 /nfs/dbraw/zinc/06/58/99/573065899.db2.gz UTNGWNUXJUUBEO-ONGXEEELSA-N 0 0 178.206 2.302 10 30 AEEERN Cc1cc([C@@H](C)O)cc(C#N)c1C 257939410 573065996 /nfs/dbraw/zinc/06/59/96/573065996.db2.gz CYNLQHJPFZNGJT-SECBINFHSA-N 0 0 175.231 2.228 10 30 AEEERN CCC[C@@H]1CC(=O)C(C)=CO1 238264989 573066047 /nfs/dbraw/zinc/06/60/47/573066047.db2.gz CXGOWKLCQKCGIW-MRVPVSSYSA-N 0 0 154.209 2.048 10 30 AEEERN C#Cc1cnc(Cl)c(C)c1 209750000 573066116 /nfs/dbraw/zinc/06/61/16/573066116.db2.gz IBBICUDZVYGYDN-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN CC[C@@H](O)C#Cc1ccccc1Cl 238265159 573066150 /nfs/dbraw/zinc/06/61/50/573066150.db2.gz ACNJFOSBBVJVEU-SNVBAGLBSA-N 0 0 194.661 2.462 10 30 AEEERN N#CCSc1cccc(C=O)c1 85536518 573066247 /nfs/dbraw/zinc/06/62/47/573066247.db2.gz VAUDWTKDQDENIS-UHFFFAOYSA-N 0 0 177.228 2.115 10 30 AEEERN N#CCCNc1ccsc1 85534867 573066466 /nfs/dbraw/zinc/06/64/66/573066466.db2.gz BQRHXFMYGFPBAL-UHFFFAOYSA-N 0 0 152.222 2.074 10 30 AEEERN CC[C@H](C)[C@H](C)n1cc(C#N)cn1 238264479 573066522 /nfs/dbraw/zinc/06/65/22/573066522.db2.gz DZNSSKFJEGXGOO-IUCAKERBSA-N 0 0 177.251 2.362 10 30 AEEERN C=C[C@@H](C)C1=C[C@H](O)CC1=C 141867565 573066557 /nfs/dbraw/zinc/06/65/57/573066557.db2.gz UMDAQQBIAFTRKS-VXNVDRBHSA-N 0 0 150.221 2.056 10 30 AEEERN C#Cc1ncc(Cl)cc1C 209753090 573066581 /nfs/dbraw/zinc/06/65/81/573066581.db2.gz MRVYFCYKUDRLNC-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C=CCC(=NN(C)CC)C1CC1 393340043 573066688 /nfs/dbraw/zinc/06/66/88/573066688.db2.gz XFLFBEXAJANJED-UHFFFAOYSA-N 0 0 166.268 2.280 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@@H](C)CCC 308246437 573066790 /nfs/dbraw/zinc/06/67/90/573066790.db2.gz WJUBINKZKZEOGQ-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN CCC[C@@H]1CC(C)=C(OC)C1=O 238265647 573066919 /nfs/dbraw/zinc/06/69/19/573066919.db2.gz WCLRAZDTGICRIN-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN Cc1cc(C#N)c(N)nc1C(C)(C)C 307011965 573066925 /nfs/dbraw/zinc/06/69/25/573066925.db2.gz PGSXEGPGJYEIQP-UHFFFAOYSA-N 0 0 189.262 2.141 10 30 AEEERN C[C@H](CC#N)Nc1ccsc1 85534824 573067002 /nfs/dbraw/zinc/06/70/02/573067002.db2.gz CYPUVFCPMZRROK-SSDOTTSWSA-N 0 0 166.249 2.462 10 30 AEEERN N#CCCCNc1ccsc1 85534767 573067086 /nfs/dbraw/zinc/06/70/86/573067086.db2.gz WKVSSJGCEKLZQP-UHFFFAOYSA-N 0 0 166.249 2.464 10 30 AEEERN O=CCCc1cccc2cccnc12 88107252 573067089 /nfs/dbraw/zinc/06/70/89/573067089.db2.gz VITIGOUGTZXTGX-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN CC[C@H](C#N)Nc1ccsc1 85534577 573067094 /nfs/dbraw/zinc/06/70/94/573067094.db2.gz DHUDKJOFDIXMEP-SSDOTTSWSA-N 0 0 166.249 2.462 10 30 AEEERN C=CC[C@H](O)/C=C\C(F)(F)F 215060078 573067138 /nfs/dbraw/zinc/06/71/38/573067138.db2.gz HBWLSVQOLMKZFS-XSIKTDMUSA-N 0 0 166.142 2.042 10 30 AEEERN C=CCC[C@H](O)C[C@H](O)c1ccco1 308494601 573067228 /nfs/dbraw/zinc/06/72/28/573067228.db2.gz UTICEIYKQHXDOE-UWVGGRQHSA-N 0 0 196.246 2.030 10 30 AEEERN C#CC[C@@H](C)OC(=O)[C@H](C)CCC 308246435 573067275 /nfs/dbraw/zinc/06/72/75/573067275.db2.gz WJUBINKZKZEOGQ-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C[C@]1(c2cccc(F)c2)C[C@H]1C=O 257939617 573067308 /nfs/dbraw/zinc/06/73/08/573067308.db2.gz UTNGWNUXJUUBEO-GXSJLCMTSA-N 0 0 178.206 2.302 10 30 AEEERN C[C@@H](C#N)Nc1ccsc1 85534878 573067458 /nfs/dbraw/zinc/06/74/58/573067458.db2.gz QVYBUMAPJOQIGS-LURJTMIESA-N 0 0 152.222 2.072 10 30 AEEERN O=CC[C@@H]1C=Cc2ccccc21 114267925 573067472 /nfs/dbraw/zinc/06/74/72/573067472.db2.gz FZBNMMPQKBSNCY-JTQLQIEISA-N 0 0 158.200 2.386 10 30 AEEERN Fc1ccc2c(c1)[C@H]1OC1=C2 222727548 573067555 /nfs/dbraw/zinc/06/75/55/573067555.db2.gz JNXJEXKZROHYME-SECBINFHSA-N 0 0 148.136 2.252 10 30 AEEERN C#Cc1cc(C)nc(Cl)c1 209749453 573067642 /nfs/dbraw/zinc/06/76/42/573067642.db2.gz VLIGLLAQDANZCT-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#Cc1nc(C)ccc1Cl 209757037 573067750 /nfs/dbraw/zinc/06/77/50/573067750.db2.gz MJHRZNNGYQMQIH-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#CCC[C@H](CC)OC(=O)C(C)C 308246632 573067783 /nfs/dbraw/zinc/06/77/83/573067783.db2.gz WNWLIAZWWCMTKL-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN C#Cc1nc(Cl)ccc1C 209757173 573067804 /nfs/dbraw/zinc/06/78/04/573067804.db2.gz PUVYDPRWPVKNPY-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#CCOC(=O)/C(=C\CC)CCC 308245572 573067838 /nfs/dbraw/zinc/06/78/38/573067838.db2.gz VKPPAFADXFPWKQ-YFHOEESVSA-N 0 0 180.247 2.299 10 30 AEEERN CC[C@H](F)CON=C(N)CC(C)C 308245174 573068038 /nfs/dbraw/zinc/06/80/38/573068038.db2.gz UZWPLQGVRTYOPZ-QMMMGPOBSA-N 0 0 190.262 2.069 10 30 AEEERN C=CCCOC(=O)c1cccc(N)c1 308494187 573068051 /nfs/dbraw/zinc/06/80/51/573068051.db2.gz CRABXTHQRXZRLN-UHFFFAOYSA-N 0 0 191.230 2.002 10 30 AEEERN CC[C@@H](C#N)Nc1ccsc1 85534576 573068055 /nfs/dbraw/zinc/06/80/55/573068055.db2.gz DHUDKJOFDIXMEP-ZETCQYMHSA-N 0 0 166.249 2.462 10 30 AEEERN C[C@@]1(c2cccc(F)c2)C[C@@H]1C=O 257939619 573068093 /nfs/dbraw/zinc/06/80/93/573068093.db2.gz UTNGWNUXJUUBEO-KOLCDFICSA-N 0 0 178.206 2.302 10 30 AEEERN C#C[C@H]([NH2+]Cc1ccc[nH]1)C(C)(C)C 308494835 573068363 /nfs/dbraw/zinc/06/83/63/573068363.db2.gz CWPOKFVVBNZLNH-NSHDSACASA-N 0 0 190.290 2.152 10 30 AEEERN CCOc1cc(Cl)cnc1C#N 238266061 573068500 /nfs/dbraw/zinc/06/85/00/573068500.db2.gz QXQCYHLOHVWEOV-UHFFFAOYSA-N 0 0 182.610 2.005 10 30 AEEERN N#CCc1snc2ccccc12 85536401 573068635 /nfs/dbraw/zinc/06/86/35/573068635.db2.gz XEDDQVRSTAKZCB-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@@H](C)CCC 308246436 573068642 /nfs/dbraw/zinc/06/86/42/573068642.db2.gz WJUBINKZKZEOGQ-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN CCC[C@@H]1CC=CC(=O)C1 238265862 573068659 /nfs/dbraw/zinc/06/86/59/573068659.db2.gz FNCPWSMKEGUPEZ-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C#CC[C@H](C)OC(=O)/C=C\CCC 308246327 573068669 /nfs/dbraw/zinc/06/86/69/573068669.db2.gz WETLOSWMWVZDFZ-RNKPRXRFSA-N 0 0 180.247 2.298 10 30 AEEERN Cc1cc([C@H](C)O)cc(C#N)c1C 257939411 573068834 /nfs/dbraw/zinc/06/88/34/573068834.db2.gz CYNLQHJPFZNGJT-VIFPVBQESA-N 0 0 175.231 2.228 10 30 AEEERN C[C@@H](C#N)CNc1ccsc1 85534609 573068886 /nfs/dbraw/zinc/06/88/86/573068886.db2.gz KPOCPRYLOASTRW-ZETCQYMHSA-N 0 0 166.249 2.320 10 30 AEEERN CC[C@@H](F)CON=C(N)CC(C)C 308245173 573068923 /nfs/dbraw/zinc/06/89/23/573068923.db2.gz UZWPLQGVRTYOPZ-MRVPVSSYSA-N 0 0 190.262 2.069 10 30 AEEERN CC[C@@H](C)[C@@H](C)n1cc(C#N)cn1 238265915 573068940 /nfs/dbraw/zinc/06/89/40/573068940.db2.gz DZNSSKFJEGXGOO-RKDXNWHRSA-N 0 0 177.251 2.362 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C=C/CCC 308246328 573069038 /nfs/dbraw/zinc/06/90/38/573069038.db2.gz WETLOSWMWVZDFZ-TTZKWOQHSA-N 0 0 180.247 2.298 10 30 AEEERN C#C[C@@H]([NH2+]Cc1ccc[nH]1)C(C)(C)C 308494833 573069277 /nfs/dbraw/zinc/06/92/77/573069277.db2.gz CWPOKFVVBNZLNH-LLVKDONJSA-N 0 0 190.290 2.152 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C=C\CCC 308246329 573069547 /nfs/dbraw/zinc/06/95/47/573069547.db2.gz WETLOSWMWVZDFZ-UJICNMFASA-N 0 0 180.247 2.298 10 30 AEEERN C[C@]1(c2cccc(F)c2)C[C@@H]1C=O 257939621 573069679 /nfs/dbraw/zinc/06/96/79/573069679.db2.gz UTNGWNUXJUUBEO-MWLCHTKSSA-N 0 0 178.206 2.302 10 30 AEEERN C#CC[C@H](C)OC(=O)/C=C/CCC 308246326 573069725 /nfs/dbraw/zinc/06/97/25/573069725.db2.gz WETLOSWMWVZDFZ-PCYYEKQGSA-N 0 0 180.247 2.298 10 30 AEEERN C#CCC[C@@H](CC)OC(=O)C(C)C 308246633 573069852 /nfs/dbraw/zinc/06/98/52/573069852.db2.gz WNWLIAZWWCMTKL-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN COC1(c2ccccc2CC#N)CC1 259600278 573069878 /nfs/dbraw/zinc/06/98/78/573069878.db2.gz ZGAYXLPKERZBNL-UHFFFAOYSA-N 0 0 187.242 2.388 10 30 AEEERN C=C[C@H](C)C1=C[C@H](O)CC1=C 141867369 573070080 /nfs/dbraw/zinc/07/00/80/573070080.db2.gz UMDAQQBIAFTRKS-IONNQARKSA-N 0 0 150.221 2.056 10 30 AEEERN C#Cc1ncc(C)cc1Cl 209759179 573070183 /nfs/dbraw/zinc/07/01/83/573070183.db2.gz LPCZRNHVVKRTID-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#CC[C@H](C)OC(=O)[C@H](C)CCC 308246438 573070328 /nfs/dbraw/zinc/07/03/28/573070328.db2.gz WJUBINKZKZEOGQ-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN Cc1ccc2cc(CC=O)ccc2n1 88101977 573070483 /nfs/dbraw/zinc/07/04/83/573070483.db2.gz YHOARSYQGMOORW-UHFFFAOYSA-N 0 0 185.226 2.285 10 30 AEEERN C#C[C@@]1(Cl)C[C@@H]1CC 238267474 573070887 /nfs/dbraw/zinc/07/08/87/573070887.db2.gz BFBPIZUHPQKIFI-NKWVEPMBSA-N 0 0 128.602 2.027 10 30 AEEERN C#Cc1ccc(C)c(Cl)n1 209757979 573071031 /nfs/dbraw/zinc/07/10/31/573071031.db2.gz IQWIVFHRRKIBAM-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#Cc1ccc(C)nc1Cl 209755585 573071046 /nfs/dbraw/zinc/07/10/46/573071046.db2.gz UHOCIVRSHILTNH-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#Cc1cc(C)c(Cl)cn1 209750915 573071133 /nfs/dbraw/zinc/07/11/33/573071133.db2.gz OWNLFACJBHNLGZ-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN CCC[C@H](S)[C@H](CC)CO 238268689 573071189 /nfs/dbraw/zinc/07/11/89/573071189.db2.gz PFJAIVCAIFDUGK-SFYZADRCSA-N 0 0 162.298 2.103 10 30 AEEERN C[C@H](C#N)Nc1ccsc1 85534879 573071205 /nfs/dbraw/zinc/07/12/05/573071205.db2.gz QVYBUMAPJOQIGS-ZCFIWIBFSA-N 0 0 152.222 2.072 10 30 AEEERN C(CCC1CC1)=NN[C@@H]1CCSC1 308254035 573071290 /nfs/dbraw/zinc/07/12/90/573071290.db2.gz HSADZRGUOIHLAI-SNVBAGLBSA-N 0 0 198.335 2.258 10 30 AEEERN CC[C@@H](O)CC#CC1CCCC1 238268514 573071366 /nfs/dbraw/zinc/07/13/66/573071366.db2.gz OUCJJWGFJZJVQE-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@](C)(C#N)CO[C@H]1CCCOC1 308489268 573071522 /nfs/dbraw/zinc/07/15/22/573071522.db2.gz PTUYSCYMHASBDZ-WDEREUQCSA-N 0 0 197.278 2.122 10 30 AEEERN CC[C@@H](O)CC#CC[Si](C)(C)C 238268593 573071585 /nfs/dbraw/zinc/07/15/85/573071585.db2.gz LATSRYJGKKVLHZ-SNVBAGLBSA-N 0 0 184.355 2.489 10 30 AEEERN CC[C@@H](C)CC(=O)OC[C@@H](C)C#N 308253701 573071615 /nfs/dbraw/zinc/07/16/15/573071615.db2.gz CQVJHBJPFFFCJV-BDAKNGLRSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)OCCNN=CC(C)(C)C 308250627 573071623 /nfs/dbraw/zinc/07/16/23/573071623.db2.gz HGDMLUQFHPCTQX-UHFFFAOYSA-N 0 0 186.299 2.033 10 30 AEEERN C=C[C@H](O)c1c(CC)cccc1OC 308489621 573071635 /nfs/dbraw/zinc/07/16/35/573071635.db2.gz OYNSQYWEVJUWDZ-JTQLQIEISA-N 0 0 192.258 2.477 10 30 AEEERN N#CCc1ccc(Cl)c(C=O)c1 114343095 573071855 /nfs/dbraw/zinc/07/18/55/573071855.db2.gz IGOLVUNXHPPGAW-UHFFFAOYSA-N 0 0 179.606 2.219 10 30 AEEERN O=CCCc1ccc2cccnc2c1 88107250 573071862 /nfs/dbraw/zinc/07/18/62/573071862.db2.gz AFGDIPCTQAGRAV-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN C=C(Cl)CN(C)Cc1cccn1C 308254127 573072395 /nfs/dbraw/zinc/07/23/95/573072395.db2.gz HUVLUWFSPLZMEV-UHFFFAOYSA-N 0 0 198.697 2.209 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@H](C)CC1 82489339 573072426 /nfs/dbraw/zinc/07/24/26/573072426.db2.gz PCIKFBUDQAVFTP-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN N#CCC[C@@H]1Cc2ccccc2O1 85537703 573072555 /nfs/dbraw/zinc/07/25/55/573072555.db2.gz WYMVNJLDZUBEEB-SNVBAGLBSA-N 0 0 173.215 2.294 10 30 AEEERN Cc1ccc2c(c1)C[C@@H](CC#N)O2 85538855 573072605 /nfs/dbraw/zinc/07/26/05/573072605.db2.gz FUEREOHFWBWZGH-SNVBAGLBSA-N 0 0 173.215 2.212 10 30 AEEERN CCC#C[C@@H](C)N(CC)CC(F)F 308253723 573072679 /nfs/dbraw/zinc/07/26/79/573072679.db2.gz CRLHHAPLVKFWRY-SECBINFHSA-N 0 0 189.249 2.375 10 30 AEEERN CN[C@]1(C#N)CCC(C)(C)C[C@H]1C 88131985 573072727 /nfs/dbraw/zinc/07/27/27/573072727.db2.gz XBAPKRPBXIQRDL-KOLCDFICSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@]1(C)CC(C(C)=O)=C(C)O1 238267648 573072919 /nfs/dbraw/zinc/07/29/19/573072919.db2.gz JVVABNRNINSNOU-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN CN[C@]1(C#N)CCC(C)(C)C[C@@H]1C 88131986 573072963 /nfs/dbraw/zinc/07/29/63/573072963.db2.gz XBAPKRPBXIQRDL-ONGXEEELSA-N 0 0 180.295 2.314 10 30 AEEERN Fc1ccc2c(c1)C[C@H](CS)O2 85538307 573072998 /nfs/dbraw/zinc/07/29/98/573072998.db2.gz FWEJMINAINXEPT-MRVPVSSYSA-N 0 0 184.235 2.059 10 30 AEEERN C[C@H]1CC(C)(C)CC[C@]1(N)C#N 88131982 573073229 /nfs/dbraw/zinc/07/32/29/573073229.db2.gz HEMYQUHUFZJZLG-WPRPVWTQSA-N 0 0 166.268 2.054 10 30 AEEERN CC[C@@](C)(C#N)CO[C@@H]1CCCOC1 308489264 573073238 /nfs/dbraw/zinc/07/32/38/573073238.db2.gz PTUYSCYMHASBDZ-MNOVXSKESA-N 0 0 197.278 2.122 10 30 AEEERN CCC#C[C@H](C)N(CC)CC(F)F 308253725 573073266 /nfs/dbraw/zinc/07/32/66/573073266.db2.gz CRLHHAPLVKFWRY-VIFPVBQESA-N 0 0 189.249 2.375 10 30 AEEERN C=CC1([C@H](O)CC)CCC1 238267518 573073414 /nfs/dbraw/zinc/07/34/14/573073414.db2.gz KSDQSJACJNIDQS-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@@H](O)c1c(CC)cccc1OC 308489622 573073461 /nfs/dbraw/zinc/07/34/61/573073461.db2.gz OYNSQYWEVJUWDZ-SNVBAGLBSA-N 0 0 192.258 2.477 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C(/C)C1CC1 308253882 573073543 /nfs/dbraw/zinc/07/35/43/573073543.db2.gz JFZWSIZETZJRBU-FUOZMLNRSA-N 0 0 180.247 2.460 10 30 AEEERN C[C@@H]1CC(C)(C)CC[C@@]1(N)C#N 88131983 573073632 /nfs/dbraw/zinc/07/36/32/573073632.db2.gz HEMYQUHUFZJZLG-PSASIEDQSA-N 0 0 166.268 2.054 10 30 AEEERN N#CCC[C@@H]1Cc2cc(F)ccc2O1 85538387 573073634 /nfs/dbraw/zinc/07/36/34/573073634.db2.gz XLQPBPWEWLXUPG-SNVBAGLBSA-N 0 0 191.205 2.433 10 30 AEEERN CC[C@@H](O)CC#CCc1ccccc1 238268614 573074049 /nfs/dbraw/zinc/07/40/49/573074049.db2.gz MIURUMQTPSDBPP-CYBMUJFWSA-N 0 0 188.270 2.394 10 30 AEEERN CCn1c(C)cc(C=NOC)c1C 308250488 573074069 /nfs/dbraw/zinc/07/40/69/573074069.db2.gz BBMBAKGEZYFSEJ-UHFFFAOYSA-N 0 0 180.251 2.105 10 30 AEEERN C[C@@H](C#N)Sc1cccc(CO)c1 85537423 573074113 /nfs/dbraw/zinc/07/41/13/573074113.db2.gz JBPWHHBOKXLQEG-QMMMGPOBSA-N 0 0 193.271 2.183 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(CCF)CC1 308254520 573074222 /nfs/dbraw/zinc/07/42/22/573074222.db2.gz JRLNQGARMKPIJQ-MRVPVSSYSA-N 0 0 186.226 2.244 10 30 AEEERN CN(c1cccnc1C#N)C(C)(C)C 306855377 573074260 /nfs/dbraw/zinc/07/42/60/573074260.db2.gz VRQGYQAYMPDOJZ-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN CC[C@H](C)Sc1ccnc(C#N)n1 306488930 573074474 /nfs/dbraw/zinc/07/44/74/573074474.db2.gz WFEYJJJBZKROAT-ZETCQYMHSA-N 0 0 193.275 2.239 10 30 AEEERN N#CCC[C@H]1Cc2ccccc2O1 85537702 573074559 /nfs/dbraw/zinc/07/45/59/573074559.db2.gz WYMVNJLDZUBEEB-JTQLQIEISA-N 0 0 173.215 2.294 10 30 AEEERN C(CCC1CC1)=NN[C@H]1CCSC1 308254034 573074560 /nfs/dbraw/zinc/07/45/60/573074560.db2.gz HSADZRGUOIHLAI-JTQLQIEISA-N 0 0 198.335 2.258 10 30 AEEERN N#CC[C@@H]1Cc2cc(F)ccc2O1 85538300 573074566 /nfs/dbraw/zinc/07/45/66/573074566.db2.gz LZAUTZMAWJTZTN-SECBINFHSA-N 0 0 177.178 2.043 10 30 AEEERN C=C1SC(NCC)=[NH+][C@@]1(C)CC 238267847 573074811 /nfs/dbraw/zinc/07/48/11/573074811.db2.gz CBFFVGDHGSKUBZ-VIFPVBQESA-N 0 0 184.308 2.381 10 30 AEEERN CC[C@H](C)CC(=O)OC[C@H](C)C#N 308253702 573076149 /nfs/dbraw/zinc/07/61/49/573076149.db2.gz CQVJHBJPFFFCJV-DTWKUNHWSA-N 0 0 183.251 2.125 10 30 AEEERN C=CC(=O)C1=CCCC[C@H]1C 141896026 573074928 /nfs/dbraw/zinc/07/49/28/573074928.db2.gz QNLQSXVXEIXZNM-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H]1CC(C)(C)CC[C@@]1(N)C#N 88131984 573074942 /nfs/dbraw/zinc/07/49/42/573074942.db2.gz HEMYQUHUFZJZLG-WCBMZHEXSA-N 0 0 166.268 2.054 10 30 AEEERN N#CC[C@H]1Cc2cc(F)ccc2O1 85538299 573074943 /nfs/dbraw/zinc/07/49/43/573074943.db2.gz LZAUTZMAWJTZTN-VIFPVBQESA-N 0 0 177.178 2.043 10 30 AEEERN C=C[C@H](C)OC(=O)C1(CCF)CC1 308254522 573074976 /nfs/dbraw/zinc/07/49/76/573074976.db2.gz JRLNQGARMKPIJQ-QMMMGPOBSA-N 0 0 186.226 2.244 10 30 AEEERN C=CCSc1ccc[nH]1 104615938 573075141 /nfs/dbraw/zinc/07/51/41/573075141.db2.gz QBNUGSZAGRIXQX-UHFFFAOYSA-N 0 0 139.223 2.293 10 30 AEEERN C=C[C@@H]1CCCCN1C(=O)/C=C\C 308250464 573075197 /nfs/dbraw/zinc/07/51/97/573075197.db2.gz AVDPHJSDRLJQIB-WXGCRTCVSA-N 0 0 179.263 2.130 10 30 AEEERN CC[C@H](C#N)N1CCC[C@H](C)CC1 82489341 573075241 /nfs/dbraw/zinc/07/52/41/573075241.db2.gz PCIKFBUDQAVFTP-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1cc2c(CC#N)ncnc2s1 82485937 573075286 /nfs/dbraw/zinc/07/52/86/573075286.db2.gz AEBUCQZPRJNCTP-UHFFFAOYSA-N 0 0 189.243 2.066 10 30 AEEERN Cc1ccc2c(c1)C[C@H](CC#N)O2 85538854 573075319 /nfs/dbraw/zinc/07/53/19/573075319.db2.gz FUEREOHFWBWZGH-JTQLQIEISA-N 0 0 173.215 2.212 10 30 AEEERN C=C[C@H](C)c1cc[nH]c1 104613622 573075401 /nfs/dbraw/zinc/07/54/01/573075401.db2.gz JLWJABTUDAYSRD-ZETCQYMHSA-N 0 0 121.183 2.304 10 30 AEEERN Fc1ccc2c(c1)C[C@@H](CS)O2 85538308 573075423 /nfs/dbraw/zinc/07/54/23/573075423.db2.gz FWEJMINAINXEPT-QMMMGPOBSA-N 0 0 184.235 2.059 10 30 AEEERN O/N=C\Nc1ccc(Cl)cc1 114365779 573075449 /nfs/dbraw/zinc/07/54/49/573075449.db2.gz CKNNCGDSXSBFFI-UHFFFAOYSA-N 0 0 170.599 2.169 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)CC1CC1 49730752 573075618 /nfs/dbraw/zinc/07/56/18/573075618.db2.gz XGPGHDVJDFRPSH-SECBINFHSA-N 0 0 165.236 2.151 10 30 AEEERN CCC[C@H]1CC(=O)C(C)=CO1 238270810 573075644 /nfs/dbraw/zinc/07/56/44/573075644.db2.gz CXGOWKLCQKCGIW-QMMMGPOBSA-N 0 0 154.209 2.048 10 30 AEEERN CCCCCC[C@]1(C)O[C@H]1CO 224884868 573075768 /nfs/dbraw/zinc/07/57/68/573075768.db2.gz RQUCZQDXGRHYOM-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN CN[C@@]1(C#N)CCC(C)(C)C[C@@H]1C 88131988 573076462 /nfs/dbraw/zinc/07/64/62/573076462.db2.gz XBAPKRPBXIQRDL-GXSJLCMTSA-N 0 0 180.295 2.314 10 30 AEEERN C=CC(=O)c1ccc(OC)cc1F 88128622 573076110 /nfs/dbraw/zinc/07/61/10/573076110.db2.gz RIGCUYPKKJASDP-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C(\C)C1CC1 308253880 573076112 /nfs/dbraw/zinc/07/61/12/573076112.db2.gz JFZWSIZETZJRBU-FCZSHJHJSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC(=O)C1=CCCC[C@@H]1C 141896231 573076266 /nfs/dbraw/zinc/07/62/66/573076266.db2.gz QNLQSXVXEIXZNM-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@@H]1CC(C)(C)CC[C@]1(N)C#N 88131981 573076301 /nfs/dbraw/zinc/07/63/01/573076301.db2.gz HEMYQUHUFZJZLG-SCZZXKLOSA-N 0 0 166.268 2.054 10 30 AEEERN CCNC1=C2C(=O)CCC[C@H]2CCC1 238270038 573076393 /nfs/dbraw/zinc/07/63/93/573076393.db2.gz LRTKUGFAHUVCTM-SECBINFHSA-N 0 0 193.290 2.403 10 30 AEEERN Fc1cccc(F)c1OCCS 88121526 573076413 /nfs/dbraw/zinc/07/64/13/573076413.db2.gz DZWJIDQTADNLNW-UHFFFAOYSA-N 0 0 190.214 2.273 10 30 AEEERN CCO[C@H]1C(C)=C(C)CC[C@H]1C=O 238269980 573076480 /nfs/dbraw/zinc/07/64/80/573076480.db2.gz VPHQNIDJXJMAGF-QWRGUYRKSA-N 0 0 182.263 2.337 10 30 AEEERN C#CCOc1cc(C)ccc1[C@H](C)O 82502385 573076511 /nfs/dbraw/zinc/07/65/11/573076511.db2.gz COETWVPYDWETHX-JTQLQIEISA-N 0 0 190.242 2.060 10 30 AEEERN CN[C@@]1(C#N)CCC(C)(C)C[C@H]1C 88131987 573076610 /nfs/dbraw/zinc/07/66/10/573076610.db2.gz XBAPKRPBXIQRDL-MWLCHTKSSA-N 0 0 180.295 2.314 10 30 AEEERN Cc1ccc2c(c1)C[C@H](CS)O2 85538869 573076651 /nfs/dbraw/zinc/07/66/51/573076651.db2.gz VNGGFDXCDCKWCS-SECBINFHSA-N 0 0 180.272 2.228 10 30 AEEERN C[C@@H](C#N)Cc1nc(C2CCC2)no1 235457733 573077161 /nfs/dbraw/zinc/07/71/61/573077161.db2.gz DVMFBPCFCMNGBH-SSDOTTSWSA-N 0 0 191.234 2.039 10 30 AEEERN CC1=C(CC=O)[C@@H]2CC[C@H]1C2 114311473 573076948 /nfs/dbraw/zinc/07/69/48/573076948.db2.gz BYRJKNLQJHMXJA-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H](C#N)Sc1cccc(CO)c1 85537424 573076956 /nfs/dbraw/zinc/07/69/56/573076956.db2.gz JBPWHHBOKXLQEG-MRVPVSSYSA-N 0 0 193.271 2.183 10 30 AEEERN CCCCO[C@@H](C=O)C(C)C 78284314 573077008 /nfs/dbraw/zinc/07/70/08/573077008.db2.gz NERYJQATVSZIBB-VIFPVBQESA-N 0 0 158.241 2.027 10 30 AEEERN CCO/C(C)=N/CC(F)(F)F 114410945 573077118 /nfs/dbraw/zinc/07/71/18/573077118.db2.gz ZLFNHLJUEKFPGC-BJMVGYQFSA-N 0 0 169.146 2.004 10 30 AEEERN N#CCCc1ccc(Cl)c(CO)c1 114342340 573077143 /nfs/dbraw/zinc/07/71/43/573077143.db2.gz PZZDHUZHHNNSIX-UHFFFAOYSA-N 0 0 195.649 2.288 10 30 AEEERN Cc1ccccc1NCS 78285036 573077205 /nfs/dbraw/zinc/07/72/05/573077205.db2.gz UGFVNCHYICYRMX-UHFFFAOYSA-N 0 0 153.250 2.294 10 30 AEEERN CCCCCCCC(=O)NCC(C)=O 114406072 573077359 /nfs/dbraw/zinc/07/73/59/573077359.db2.gz WJWZGACVGXQPNP-UHFFFAOYSA-N 0 0 199.294 2.052 10 30 AEEERN CC[C@@H]1CC[C@H](N(CC)CC#N)C1 308491472 573077591 /nfs/dbraw/zinc/07/75/91/573077591.db2.gz RKQFFPQROZOHAA-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)[C@H](C#N)C(=O)CC1CC1 49730754 573077653 /nfs/dbraw/zinc/07/76/53/573077653.db2.gz XGPGHDVJDFRPSH-VIFPVBQESA-N 0 0 165.236 2.151 10 30 AEEERN CC[C@@H](O)CCC#C[Si](C)(C)C 238269372 573077713 /nfs/dbraw/zinc/07/77/13/573077713.db2.gz RJUDISUCIQXOLK-SNVBAGLBSA-N 0 0 184.355 2.418 10 30 AEEERN C=CCOC(=O)c1scnc1CC 308251251 573077764 /nfs/dbraw/zinc/07/77/64/573077764.db2.gz FROJKTJOPAYSTE-UHFFFAOYSA-N 0 0 197.259 2.048 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)NC(C)(C)C 308250677 573077904 /nfs/dbraw/zinc/07/79/04/573077904.db2.gz HGSYCPAYXZUXFW-IUCAKERBSA-N 0 0 183.295 2.359 10 30 AEEERN Cc1ccc2c(c1)C[C@@H](CS)O2 85538871 573077961 /nfs/dbraw/zinc/07/79/61/573077961.db2.gz VNGGFDXCDCKWCS-VIFPVBQESA-N 0 0 180.272 2.228 10 30 AEEERN Cc1ccc(C(=O)[C@H](C)CC#N)nc1 88135072 573077982 /nfs/dbraw/zinc/07/79/82/573077982.db2.gz ZHTLZMLMUHGYSG-SECBINFHSA-N 0 0 188.230 2.123 10 30 AEEERN CC1(C=NN[C@@H]2CCSC2)CCC1 308251728 573078011 /nfs/dbraw/zinc/07/80/11/573078011.db2.gz BNZHTSGNOUKZLJ-SECBINFHSA-N 0 0 198.335 2.258 10 30 AEEERN N#CCC[C@H]1Cc2cc(F)ccc2O1 85538385 573078042 /nfs/dbraw/zinc/07/80/42/573078042.db2.gz XLQPBPWEWLXUPG-JTQLQIEISA-N 0 0 191.205 2.433 10 30 AEEERN CC[C@H]1CC[C@@H](N(CC)CC#N)C1 308491474 573078045 /nfs/dbraw/zinc/07/80/45/573078045.db2.gz RKQFFPQROZOHAA-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H]1CC[C@@H](C(=O)C2=CCCC2)O1 88140745 573078089 /nfs/dbraw/zinc/07/80/89/573078089.db2.gz TVRMFJQGAHZASW-WPRPVWTQSA-N 0 0 180.247 2.233 10 30 AEEERN C=C(C)CNCc1coc(C2CC2)n1 308490682 573078250 /nfs/dbraw/zinc/07/82/50/573078250.db2.gz BKUGDSGTTXNYGN-UHFFFAOYSA-N 0 0 192.262 2.218 10 30 AEEERN Cc1ccc(C(=O)C[C@H](C)C#N)nc1 88135077 573078253 /nfs/dbraw/zinc/07/82/53/573078253.db2.gz JCNMWNLSBDQNPZ-VIFPVBQESA-N 0 0 188.230 2.123 10 30 AEEERN N#CC1(Cc2cc[nH]c2)CCC1 259035442 573078313 /nfs/dbraw/zinc/07/83/13/573078313.db2.gz CCPUTCVLBCPCJC-UHFFFAOYSA-N 0 0 160.220 2.251 10 30 AEEERN CCNC1=C2C(=O)CCC[C@@H]2CCC1 238270054 573078365 /nfs/dbraw/zinc/07/83/65/573078365.db2.gz LRTKUGFAHUVCTM-VIFPVBQESA-N 0 0 193.290 2.403 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)NC(C)(C)C 308250679 573078416 /nfs/dbraw/zinc/07/84/16/573078416.db2.gz HGSYCPAYXZUXFW-RKDXNWHRSA-N 0 0 183.295 2.359 10 30 AEEERN C#CCCOC(=O)[C@@H](C)[C@H](C)C=C 308251512 573078444 /nfs/dbraw/zinc/07/84/44/573078444.db2.gz HPRNLVVGDQQKJE-ZJUUUORDSA-N 0 0 180.247 2.011 10 30 AEEERN C[C@H]1CC[C@H](C(=O)C2=CCCC2)O1 88140743 573078445 /nfs/dbraw/zinc/07/84/45/573078445.db2.gz TVRMFJQGAHZASW-WCBMZHEXSA-N 0 0 180.247 2.233 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(=O)NC(C)(C)C 308250673 573079414 /nfs/dbraw/zinc/07/94/14/573079414.db2.gz HGSYCPAYXZUXFW-BDAKNGLRSA-N 0 0 183.295 2.359 10 30 AEEERN C[C@@H]1CC[C@@H](C(=O)C2=CCCC2)O1 88140744 573078736 /nfs/dbraw/zinc/07/87/36/573078736.db2.gz TVRMFJQGAHZASW-SCZZXKLOSA-N 0 0 180.247 2.233 10 30 AEEERN C[C@@H]1CC(C)(C)CC[C@@]1(O)CC#N 88134062 573078771 /nfs/dbraw/zinc/07/87/71/573078771.db2.gz KNVKDFLSEYFHNH-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CC1(C=NN[C@H]2CCSC2)CCC1 308251729 573078741 /nfs/dbraw/zinc/07/87/41/573078741.db2.gz BNZHTSGNOUKZLJ-VIFPVBQESA-N 0 0 198.335 2.258 10 30 AEEERN C=CCCC(=O)N[C@@H](C)CC1CC1 308250974 573079549 /nfs/dbraw/zinc/07/95/49/573079549.db2.gz HHSYRRIYFBQHFU-VIFPVBQESA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCCC(=O)OC[C@@H](C)C#N 308251504 573078916 /nfs/dbraw/zinc/07/89/16/573078916.db2.gz HOUVEGLQLUVQNN-VIFPVBQESA-N 0 0 181.235 2.046 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1Cc2ccccc21 85577249 573078923 /nfs/dbraw/zinc/07/89/23/573078923.db2.gz LVUUFNAQCJOKLO-LDYMZIIASA-N 0 0 185.226 2.055 10 30 AEEERN C#CCCOC(=O)[C@H](C)[C@H](C)C=C 308251509 573079110 /nfs/dbraw/zinc/07/91/10/573079110.db2.gz HPRNLVVGDQQKJE-NXEZZACHSA-N 0 0 180.247 2.011 10 30 AEEERN Cc1cc(C)c(CCC=O)c(O)c1C 259323941 573079325 /nfs/dbraw/zinc/07/93/25/573079325.db2.gz DTUICDYVJRYOCA-UHFFFAOYSA-N 0 0 192.258 2.449 10 30 AEEERN C[C@@H](C#N)C(=O)[C@@H]1Cc2ccccc21 85577248 573079586 /nfs/dbraw/zinc/07/95/86/573079586.db2.gz LVUUFNAQCJOKLO-GZMMTYOYSA-N 0 0 185.226 2.055 10 30 AEEERN C#CCCOc1cc(F)cc(F)c1 82494172 573079741 /nfs/dbraw/zinc/07/97/41/573079741.db2.gz GYJQOJVOEQPLNH-UHFFFAOYSA-N 0 0 182.169 2.367 10 30 AEEERN C[C@H]1CC(C)(C)CC[C@@]1(O)CC#N 88134064 573079751 /nfs/dbraw/zinc/07/97/51/573079751.db2.gz KNVKDFLSEYFHNH-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(=O)NC(C)(C)C 308250675 573079774 /nfs/dbraw/zinc/07/97/74/573079774.db2.gz HGSYCPAYXZUXFW-DTWKUNHWSA-N 0 0 183.295 2.359 10 30 AEEERN C[C@@H]1CC[C@H](C(=O)C2=CCCC2)O1 88140742 573079791 /nfs/dbraw/zinc/07/97/91/573079791.db2.gz TVRMFJQGAHZASW-PSASIEDQSA-N 0 0 180.247 2.233 10 30 AEEERN CCCCO[C@H](C=O)C(C)C 78284315 573079953 /nfs/dbraw/zinc/07/99/53/573079953.db2.gz NERYJQATVSZIBB-SECBINFHSA-N 0 0 158.241 2.027 10 30 AEEERN CC[C@@H]1CC[C@@H](N(CC)CC#N)C1 308491471 573080151 /nfs/dbraw/zinc/08/01/51/573080151.db2.gz RKQFFPQROZOHAA-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C#CCN[C@@H](C#N)C(C(C)C)C(C)C 308490748 573080205 /nfs/dbraw/zinc/08/02/05/573080205.db2.gz QOUIECIREHEQPV-NSHDSACASA-N 0 0 192.306 2.030 10 30 AEEERN CCN[C@H](C#N)c1ccc(C)c(F)c1 82503644 573080265 /nfs/dbraw/zinc/08/02/65/573080265.db2.gz JQBWNFRUOSXYEY-LLVKDONJSA-N 0 0 192.237 2.308 10 30 AEEERN C[C@@H]1CC(C)(C)CC[C@]1(O)CC#N 88134057 573080440 /nfs/dbraw/zinc/08/04/40/573080440.db2.gz KNVKDFLSEYFHNH-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CCO[C@H]1C(C)=C(C)CC[C@@H]1C=O 238269565 573080568 /nfs/dbraw/zinc/08/05/68/573080568.db2.gz VPHQNIDJXJMAGF-MNOVXSKESA-N 0 0 182.263 2.337 10 30 AEEERN N#Cc1ccccc1NCc1cc[nH]c1 85578719 573080637 /nfs/dbraw/zinc/08/06/37/573080637.db2.gz OPECVPSQVBCGLN-UHFFFAOYSA-N 0 0 197.241 2.498 10 30 AEEERN Cc1ccc(C(=O)C[C@@H](C)C#N)nc1 88135074 573080686 /nfs/dbraw/zinc/08/06/86/573080686.db2.gz JCNMWNLSBDQNPZ-SECBINFHSA-N 0 0 188.230 2.123 10 30 AEEERN C=CCCCC(=O)OC[C@H](C)C#N 308251503 573080843 /nfs/dbraw/zinc/08/08/43/573080843.db2.gz HOUVEGLQLUVQNN-SECBINFHSA-N 0 0 181.235 2.046 10 30 AEEERN CC[C@H]1CC[C@H](N(CC)CC#N)C1 308491473 573080850 /nfs/dbraw/zinc/08/08/50/573080850.db2.gz RKQFFPQROZOHAA-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)C(=O)[C@@H]1Cc2ccccc21 85577264 573080970 /nfs/dbraw/zinc/08/09/70/573080970.db2.gz FSMPAUHTUBKDJK-BXKDBHETSA-N 0 0 199.253 2.445 10 30 AEEERN COCC(C)(C)C=NNC(C)(C)C 308251218 573081056 /nfs/dbraw/zinc/08/10/56/573081056.db2.gz FOYJMQBZUUJPGM-UHFFFAOYSA-N 0 0 186.299 2.033 10 30 AEEERN CC(C)c1nc(C#N)nc2occc12 259323647 573081999 /nfs/dbraw/zinc/08/19/99/573081999.db2.gz KHHZCRCXPGFJOQ-UHFFFAOYSA-N 0 0 187.202 2.218 10 30 AEEERN C#CCON[C@H](C)C1CCCCC1 308491920 573081619 /nfs/dbraw/zinc/08/16/19/573081619.db2.gz RQFGRKOSHPCMNU-SNVBAGLBSA-N 0 0 181.279 2.110 10 30 AEEERN CC[C@H](C#N)C(=O)[C@H]1Cc2ccccc21 85577270 573081638 /nfs/dbraw/zinc/08/16/38/573081638.db2.gz FSMPAUHTUBKDJK-SKDRFNHKSA-N 0 0 199.253 2.445 10 30 AEEERN C#CCCNc1ccc(CC#N)cc1 82497052 573081729 /nfs/dbraw/zinc/08/17/29/573081729.db2.gz HUUGOAAOQJPMPQ-UHFFFAOYSA-N 0 0 184.242 2.188 10 30 AEEERN CC[C@@H](C#N)C(=O)[C@@H]1Cc2ccccc21 85577260 573081765 /nfs/dbraw/zinc/08/17/65/573081765.db2.gz FSMPAUHTUBKDJK-JOYOIKCWSA-N 0 0 199.253 2.445 10 30 AEEERN CCN[C@@H](C#N)c1ccc(C)c(F)c1 82503642 573081806 /nfs/dbraw/zinc/08/18/06/573081806.db2.gz JQBWNFRUOSXYEY-NSHDSACASA-N 0 0 192.237 2.308 10 30 AEEERN N#CC[C@@H]1Cc2ccccc21 85574419 573081834 /nfs/dbraw/zinc/08/18/34/573081834.db2.gz ZBPBTLRUNVTPAJ-SECBINFHSA-N 0 0 143.189 2.240 10 30 AEEERN C[C@@H](C#N)C(=O)[C@H]1Cc2ccccc21 85577252 573082799 /nfs/dbraw/zinc/08/27/99/573082799.db2.gz LVUUFNAQCJOKLO-KWQFWETISA-N 0 0 185.226 2.055 10 30 AEEERN CC[C@H](C)[C@H](O)C1=CCCCC1=O 238272391 573081866 /nfs/dbraw/zinc/08/18/66/573081866.db2.gz OIDWFPGAEZYASG-KWQFWETISA-N 0 0 182.263 2.073 10 30 AEEERN C[C@H](C#N)C(=O)[C@H]1Cc2ccccc21 85577256 573081883 /nfs/dbraw/zinc/08/18/83/573081883.db2.gz LVUUFNAQCJOKLO-KCJUWKMLSA-N 0 0 185.226 2.055 10 30 AEEERN Cc1ccc(C(=O)[C@@H](C)CC#N)nc1 88135070 573081988 /nfs/dbraw/zinc/08/19/88/573081988.db2.gz ZHTLZMLMUHGYSG-VIFPVBQESA-N 0 0 188.230 2.123 10 30 AEEERN N#CC[C@H]1Cc2ccccc21 85574415 573081973 /nfs/dbraw/zinc/08/19/73/573081973.db2.gz ZBPBTLRUNVTPAJ-VIFPVBQESA-N 0 0 143.189 2.240 10 30 AEEERN C=CC(=O)C#C[Si](C)(C)CC 238272181 573081993 /nfs/dbraw/zinc/08/19/93/573081993.db2.gz FBWHTVRWOSBXRB-UHFFFAOYSA-N 0 0 166.296 2.012 10 30 AEEERN CCN(CC)[C@@H](CC#N)C(F)(F)F 259324075 573082095 /nfs/dbraw/zinc/08/20/95/573082095.db2.gz GDKHCIAGTSECIO-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C=CC[C@H](O)C#Cc1ccc(C)cc1 114470403 573082340 /nfs/dbraw/zinc/08/23/40/573082340.db2.gz SDNCLNWHNKEVTG-ZDUSSCGKSA-N 0 0 186.254 2.284 10 30 AEEERN CCCCCCCC(=O)c1nc[nH]n1 114451316 573082397 /nfs/dbraw/zinc/08/23/97/573082397.db2.gz GMVAAUYIIPUNQZ-UHFFFAOYSA-N 0 0 195.266 2.348 10 30 AEEERN C#CCCSCCC 82496811 573082469 /nfs/dbraw/zinc/08/24/69/573082469.db2.gz OQSFMRZWDSVBPB-UHFFFAOYSA-N 0 0 128.240 2.153 10 30 AEEERN O=C1C=CCC2=C1c1ccccc12 114485123 573082472 /nfs/dbraw/zinc/08/24/72/573082472.db2.gz CAMBSMREJRCBHP-UHFFFAOYSA-N 0 0 168.195 2.440 10 30 AEEERN CC[C@@H](C#N)C(=O)[C@H]1Cc2ccccc21 85577266 573082558 /nfs/dbraw/zinc/08/25/58/573082558.db2.gz FSMPAUHTUBKDJK-CABZTGNLSA-N 0 0 199.253 2.445 10 30 AEEERN C=C(C)CNN=C(C)c1nccs1 308252205 573082598 /nfs/dbraw/zinc/08/25/98/573082598.db2.gz GIJTWOMHTPTXCP-UHFFFAOYSA-N 0 0 195.291 2.033 10 30 AEEERN CCC[C@@H](C)C=NNCCCOC 308497573 573082628 /nfs/dbraw/zinc/08/26/28/573082628.db2.gz UUHLZAWOGQZTTJ-SNVBAGLBSA-N 0 0 186.299 2.035 10 30 AEEERN CCO/C=C1/Sc2cc[nH]c2C1=O 238272431 573082696 /nfs/dbraw/zinc/08/26/96/573082696.db2.gz RBINXNPHQKOZNR-FNORWQNLSA-N 0 0 195.243 2.181 10 30 AEEERN CC(C)(C(=O)C#N)c1ccccc1 114465960 573082697 /nfs/dbraw/zinc/08/26/97/573082697.db2.gz UGUSAEURKQBSRD-UHFFFAOYSA-N 0 0 173.215 2.057 10 30 AEEERN C=CCCCNC(=O)/C(=C\C)CC 308252361 573082706 /nfs/dbraw/zinc/08/27/06/573082706.db2.gz BUPZQHJELDOKAP-YHYXMXQVSA-N 0 0 181.279 2.425 10 30 AEEERN CCN(CC)C(C#N)(C1CC1)C1CC1 308497042 573082761 /nfs/dbraw/zinc/08/27/61/573082761.db2.gz TXPKPILLOQRZKI-UHFFFAOYSA-N 0 0 192.306 2.411 10 30 AEEERN C#CCON[C@H](CC)C[C@@H](C)CC 308497010 573082989 /nfs/dbraw/zinc/08/29/89/573082989.db2.gz UJBGLFYCNPOBFV-WDEREUQCSA-N 0 0 183.295 2.356 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](C)C(F)(F)F 308252480 573083008 /nfs/dbraw/zinc/08/30/08/573083008.db2.gz IJXVVTGCXWJSJV-PHDIDXHHSA-N 0 0 196.168 2.303 10 30 AEEERN C#CCON[C@@H](CC)C[C@@H](C)CC 308497009 573083032 /nfs/dbraw/zinc/08/30/32/573083032.db2.gz UJBGLFYCNPOBFV-QWRGUYRKSA-N 0 0 183.295 2.356 10 30 AEEERN C=CCCCC(=O)[C@@H]1C[C@H]1OCC 689915581 573083629 /nfs/dbraw/zinc/08/36/29/573083629.db2.gz GTYSSDZHMJPZCQ-GXSJLCMTSA-N 0 0 182.263 2.337 10 30 AEEERN C=C[C@@H](O)C[Si](C)(C)CC 238272773 573083160 /nfs/dbraw/zinc/08/31/60/573083160.db2.gz TYDQIEPKGKSQNL-MRVPVSSYSA-N 0 0 158.317 2.262 10 30 AEEERN C=CCCCC(=O)[C@@H]1C[C@@H]1OCC 689915586 573083236 /nfs/dbraw/zinc/08/32/36/573083236.db2.gz GTYSSDZHMJPZCQ-ONGXEEELSA-N 0 0 182.263 2.337 10 30 AEEERN C#CCC[C@@H](NN)C(C(C)C)C(C)C 308498442 573083264 /nfs/dbraw/zinc/08/32/64/573083264.db2.gz UUXYCHKYKDIGCK-LLVKDONJSA-N 0 0 196.338 2.160 10 30 AEEERN C=CCCCC(=O)[C@H]1C[C@@H]1OCC 689915583 573083432 /nfs/dbraw/zinc/08/34/32/573083432.db2.gz GTYSSDZHMJPZCQ-KOLCDFICSA-N 0 0 182.263 2.337 10 30 AEEERN C=CCCCNC(=O)/C(=C/C)CC 308252360 573083584 /nfs/dbraw/zinc/08/35/84/573083584.db2.gz BUPZQHJELDOKAP-BJMVGYQFSA-N 0 0 181.279 2.425 10 30 AEEERN N#Cc1ccc2c(c1O)SC(=O)C2 306856006 573083480 /nfs/dbraw/zinc/08/34/80/573083480.db2.gz XMXHLNQDLDRZEK-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN CN(C)[C@@H](C#N)c1cccc(F)c1F 82523090 573084261 /nfs/dbraw/zinc/08/42/61/573084261.db2.gz YNJNZHWXUKZPOQ-VIFPVBQESA-N 0 0 196.200 2.091 10 30 AEEERN Cc1cncc2cc(C#N)ccc12 257942387 573084763 /nfs/dbraw/zinc/08/47/63/573084763.db2.gz DJAOFUACTNNZDJ-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN CN(C)[C@H](C#N)c1cccc(F)c1F 82523091 573084788 /nfs/dbraw/zinc/08/47/88/573084788.db2.gz YNJNZHWXUKZPOQ-SECBINFHSA-N 0 0 196.200 2.091 10 30 AEEERN C=C([C@@H](CC)CO)[Si](C)(C)C 238271786 573084831 /nfs/dbraw/zinc/08/48/31/573084831.db2.gz OJQDAKNMBUDTLB-VIFPVBQESA-N 0 0 172.344 2.439 10 30 AEEERN CCO/C=C1/CC[C@@H](C)CC1=O 238271938 573085008 /nfs/dbraw/zinc/08/50/08/573085008.db2.gz QYLRWEXMJSJNMU-XZZQCUQZSA-N 0 0 168.236 2.296 10 30 AEEERN CCC[C@H]1CC=CC(=O)C1 238272151 573085031 /nfs/dbraw/zinc/08/50/31/573085031.db2.gz FNCPWSMKEGUPEZ-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CCN(CC)[C@H](CC#N)C(F)(F)F 259324071 573085059 /nfs/dbraw/zinc/08/50/59/573085059.db2.gz GDKHCIAGTSECIO-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN CC[C@H](C)CON=C1CCOCC1 308252947 573085187 /nfs/dbraw/zinc/08/51/87/573085187.db2.gz CFKUVICFENBHML-VIFPVBQESA-N 0 0 185.267 2.216 10 30 AEEERN CC(=O)/C=C\c1cncc(Cl)c1 230448365 573085315 /nfs/dbraw/zinc/08/53/15/573085315.db2.gz GZSFAUMXZFYWMV-IHWYPQMZSA-N 0 0 181.622 2.337 10 30 AEEERN CCN[C@H](C#N)c1cccc(F)c1F 82523021 573085324 /nfs/dbraw/zinc/08/53/24/573085324.db2.gz PSAKBCRYPDQNGG-SECBINFHSA-N 0 0 196.200 2.139 10 30 AEEERN CC#CCOC(=O)C=C(CC)CC 308252733 573085469 /nfs/dbraw/zinc/08/54/69/573085469.db2.gz CDMOMYKCPHPGEF-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C=C[C@H](CC)C/C=C/CO 238272192 573085445 /nfs/dbraw/zinc/08/54/45/573085445.db2.gz MKMMEKULYRYXGK-VUHVRTRXSA-N 0 0 140.226 2.137 10 30 AEEERN CCn1ccc(/C=C/C(C)=O)c1 85605549 573086014 /nfs/dbraw/zinc/08/60/14/573086014.db2.gz QGENBLHBAOASHK-SNAWJCMRSA-N 0 0 163.220 2.110 10 30 AEEERN CC(=O)C=Cc1c[nH]c2ncccc12 85607233 573086152 /nfs/dbraw/zinc/08/61/52/573086152.db2.gz IAQNNJZEKHMIDV-SNAWJCMRSA-N 0 0 186.214 2.165 10 30 AEEERN CCC[C@H]1CC(C)=C(OC)C1=O 238271917 573086156 /nfs/dbraw/zinc/08/61/56/573086156.db2.gz WCLRAZDTGICRIN-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN CCO/C=C1/CC[C@H](C)CC1=O 238271950 573086209 /nfs/dbraw/zinc/08/62/09/573086209.db2.gz QYLRWEXMJSJNMU-FZGDARCMSA-N 0 0 168.236 2.296 10 30 AEEERN N#Cc1ccc2cc(N)sc2c1F 307027851 573086247 /nfs/dbraw/zinc/08/62/47/573086247.db2.gz MFDYDEGXTWZMDJ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CCc1ccc(C=NN(C)C)cc1 308496518 573086343 /nfs/dbraw/zinc/08/63/43/573086343.db2.gz UIDGFVDEIUMBKU-UHFFFAOYSA-N 0 0 176.263 2.145 10 30 AEEERN CC[C@H](C#Cc1ccccc1)CO 238271767 573086453 /nfs/dbraw/zinc/08/64/53/573086453.db2.gz KSXIFHDFWJHACF-LLVKDONJSA-N 0 0 174.243 2.057 10 30 AEEERN C=CCN(C)C(=O)/C=C\C(C)(C)C 308497174 573086477 /nfs/dbraw/zinc/08/64/77/573086477.db2.gz UNHGFCATHMHEFC-FPLPWBNLSA-N 0 0 181.279 2.233 10 30 AEEERN C#CCON[C@@H](CC)C[C@H](C)CC 308497008 573086512 /nfs/dbraw/zinc/08/65/12/573086512.db2.gz UJBGLFYCNPOBFV-MNOVXSKESA-N 0 0 183.295 2.356 10 30 AEEERN Cc1ccnc(NCCCF)c1C#N 307029349 573086556 /nfs/dbraw/zinc/08/65/56/573086556.db2.gz CEDZJVDAANOKCZ-UHFFFAOYSA-N 0 0 193.225 2.033 10 30 AEEERN CC(C)[C@H](C)OC(=O)C(C)(C)C#N 308252806 573086804 /nfs/dbraw/zinc/08/68/04/573086804.db2.gz IROHJXOMBJQAAH-QMMMGPOBSA-N 0 0 183.251 2.124 10 30 AEEERN N#CCCC(=O)c1cccc(F)c1F 82522879 573086815 /nfs/dbraw/zinc/08/68/15/573086815.db2.gz YTBNJSJLPTWEPQ-UHFFFAOYSA-N 0 0 195.168 2.451 10 30 AEEERN CCC[C@H]1CC(C)=CC1=O 238271939 573086850 /nfs/dbraw/zinc/08/68/50/573086850.db2.gz HRJLBJYIVALUMA-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C#CCC[C@H](NN)C(C(C)C)C(C)C 308498443 573086927 /nfs/dbraw/zinc/08/69/27/573086927.db2.gz UUXYCHKYKDIGCK-NSHDSACASA-N 0 0 196.338 2.160 10 30 AEEERN CC[C@@H](C)CON=C1CCOCC1 308252946 573086985 /nfs/dbraw/zinc/08/69/85/573086985.db2.gz CFKUVICFENBHML-SECBINFHSA-N 0 0 185.267 2.216 10 30 AEEERN CCC[C@@H]1CNC2=C1C(=O)CCC2 238272201 573087234 /nfs/dbraw/zinc/08/72/34/573087234.db2.gz IIZLUIYLMDATLI-MRVPVSSYSA-N 0 0 179.263 2.013 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](C)C(F)(F)F 308252481 573087289 /nfs/dbraw/zinc/08/72/89/573087289.db2.gz IJXVVTGCXWJSJV-RITPCOANSA-N 0 0 196.168 2.303 10 30 AEEERN C=CCCCC(=O)[C@H]1C[C@H]1OCC 689915584 573087719 /nfs/dbraw/zinc/08/77/19/573087719.db2.gz GTYSSDZHMJPZCQ-MWLCHTKSSA-N 0 0 182.263 2.337 10 30 AEEERN N#Cc1csc2cc(O)c(O)cc12 307027153 573087846 /nfs/dbraw/zinc/08/78/46/573087846.db2.gz LLSFGHFNGTXQQM-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1ccoc1 308258920 573088537 /nfs/dbraw/zinc/08/85/37/573088537.db2.gz MLSURXIHFPVNJZ-QMMMGPOBSA-N 0 0 180.203 2.401 10 30 AEEERN CON=CCNc1c(C)cccc1C 308259922 573088901 /nfs/dbraw/zinc/08/89/01/573088901.db2.gz HQFQBHNNYPMQEE-UHFFFAOYSA-N 0 0 192.262 2.348 10 30 AEEERN C#CCOC(=O)/C(=C/CC)CCC 308245571 573088947 /nfs/dbraw/zinc/08/89/47/573088947.db2.gz VKPPAFADXFPWKQ-JXMROGBWSA-N 0 0 180.247 2.299 10 30 AEEERN COCC(C)=NNCCC(C)(C)C 308258413 573089286 /nfs/dbraw/zinc/08/92/86/573089286.db2.gz LCHDXGDXFBHRRD-UHFFFAOYSA-N 0 0 186.299 2.035 10 30 AEEERN CNC=CC(=O)c1ccc(C)cc1C 308258675 573089305 /nfs/dbraw/zinc/08/93/05/573089305.db2.gz CQTWNGCYEIWCOJ-SREVYHEPSA-N 0 0 189.258 2.219 10 30 AEEERN CC1=C(CC=O)C(C)(C)C[C@@H](O)C1 224827539 573089331 /nfs/dbraw/zinc/08/93/31/573089331.db2.gz OMGSDYLMCMLYBR-VIFPVBQESA-N 0 0 182.263 2.073 10 30 AEEERN C=C(C)CNN=C(C)c1cscn1 308258754 573089417 /nfs/dbraw/zinc/08/94/17/573089417.db2.gz LGSYUCCSSRUEPO-UHFFFAOYSA-N 0 0 195.291 2.033 10 30 AEEERN C#C[C@@](C)(CC)[C@@H]1CCCC1=O 238274941 573089550 /nfs/dbraw/zinc/08/95/50/573089550.db2.gz KTORQPYXGKOWKZ-KOLCDFICSA-N 0 0 164.248 2.405 10 30 AEEERN CCn1cccc1/C=C/C(C)=O 85608274 573089593 /nfs/dbraw/zinc/08/95/93/573089593.db2.gz ZTUSYKOEIUKTFN-VOTSOKGWSA-N 0 0 163.220 2.110 10 30 AEEERN N#Cc1cc2c(N)c(F)cc(F)c2o1 259324758 573089835 /nfs/dbraw/zinc/08/98/35/573089835.db2.gz DFRHAZRZFBFSCK-UHFFFAOYSA-N 0 0 194.140 2.165 10 30 AEEERN C=C(OCC)[C@@H]1CCCC(=O)C1 238275634 573090142 /nfs/dbraw/zinc/09/01/42/573090142.db2.gz NNMUCWMFWXIVLE-SECBINFHSA-N 0 0 168.236 2.296 10 30 AEEERN N#Cc1ccc(F)c2c(N)csc12 307029429 573090330 /nfs/dbraw/zinc/09/03/30/573090330.db2.gz OGOIHHITIDHPHW-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC[C@@]1(C=O)SC[C@@H](C)S1 238275436 573093683 /nfs/dbraw/zinc/09/36/83/573093683.db2.gz LHDMFEPDEFKQGK-RNFRBKRXSA-N 0 0 176.306 2.160 10 30 AEEERN CON=CCc1c[nH]c2ccccc12 308259040 573090619 /nfs/dbraw/zinc/09/06/19/573090619.db2.gz DRLZQTJCPWUYBE-UHFFFAOYSA-N 0 0 188.230 2.343 10 30 AEEERN C=C(C)CCn1nccc1C(C)=O 308260748 573090624 /nfs/dbraw/zinc/09/06/24/573090624.db2.gz MIDFWZLZCBNPTJ-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN CC[C@@]1(C=O)O[C@@H]1c1ccccc1 238275394 573090868 /nfs/dbraw/zinc/09/08/68/573090868.db2.gz LSWRZGLJPMVZFA-MNOVXSKESA-N 0 0 176.215 2.106 10 30 AEEERN C=C(C)CNC(=O)C[C@H](C)C(C)C 308258795 573091585 /nfs/dbraw/zinc/09/15/85/573091585.db2.gz MIQACSOWXJBDIL-JTQLQIEISA-N 0 0 183.295 2.361 10 30 AEEERN CCS[C@]1(C#N)CC[C@@H]1C 85629992 573091806 /nfs/dbraw/zinc/09/18/06/573091806.db2.gz KSDXKJVVQBMQBC-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN C=CC[C@H](C)Nc1cnn(CC)c1 308500838 573091868 /nfs/dbraw/zinc/09/18/68/573091868.db2.gz WSAMRBBCJOXEOU-VIFPVBQESA-N 0 0 179.267 2.280 10 30 AEEERN CC(C)(C#N)c1cnc2ccccc2n1 308883926 573092066 /nfs/dbraw/zinc/09/20/66/573092066.db2.gz PLAWIHGIGZZIPN-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN CC(C)=C[C@H]1[C@H](C/C(N)=N\O)C1(C)C 224823323 573092120 /nfs/dbraw/zinc/09/21/20/573092120.db2.gz DAXWENFRURVPHP-IUCAKERBSA-N 0 0 196.294 2.361 10 30 AEEERN C=C(C)CNC(=O)C[C@@H](C)C(C)C 308258797 573092166 /nfs/dbraw/zinc/09/21/66/573092166.db2.gz MIQACSOWXJBDIL-SNVBAGLBSA-N 0 0 183.295 2.361 10 30 AEEERN CC[C@@](C#N)(C(C)=O)c1ccccc1 85629688 573092232 /nfs/dbraw/zinc/09/22/32/573092232.db2.gz OWEVTAAQUHKUFZ-GFCCVEGCSA-N 0 0 187.242 2.447 10 30 AEEERN C[C@@H](S)c1ccc2oc(=O)[nH]c2c1 259325288 573092242 /nfs/dbraw/zinc/09/22/42/573092242.db2.gz RYOAGSFWATYVMM-RXMQYKEDSA-N 0 0 195.243 2.112 10 30 AEEERN CCCCOC(C)(C)/C=C(\N)C(C)=O 308260774 573092316 /nfs/dbraw/zinc/09/23/16/573092316.db2.gz BXAMCNNOGGKRRS-NTMALXAHSA-N 0 0 199.294 2.013 10 30 AEEERN C#C[C@@](C)(CC)[C@H]1CCCC1=O 238274977 573092318 /nfs/dbraw/zinc/09/23/18/573092318.db2.gz KTORQPYXGKOWKZ-ONGXEEELSA-N 0 0 164.248 2.405 10 30 AEEERN CCS[C@]1(C#N)CC[C@H]1C 85630000 573092521 /nfs/dbraw/zinc/09/25/21/573092521.db2.gz KSDXKJVVQBMQBC-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN COCC1(c2cccc(C#N)c2)CC1 259324219 573092403 /nfs/dbraw/zinc/09/24/03/573092403.db2.gz GFCOXVFZWNTJGN-UHFFFAOYSA-N 0 0 187.242 2.236 10 30 AEEERN CC1=C(CC=O)C(C)(C)C[C@H](O)C1 224827497 573092435 /nfs/dbraw/zinc/09/24/35/573092435.db2.gz OMGSDYLMCMLYBR-SECBINFHSA-N 0 0 182.263 2.073 10 30 AEEERN CC(C)=C1CC(C)(C)C1=O 222639513 573092855 /nfs/dbraw/zinc/09/28/55/573092855.db2.gz OHDAMTDRLMWWST-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN SCc1cccc2c1CCN2 258234088 573092830 /nfs/dbraw/zinc/09/28/30/573092830.db2.gz RZEWOVXJDHTYOE-UHFFFAOYSA-N 0 0 165.261 2.084 10 30 AEEERN C=C(C)CNN=C(C)c1ccco1 308259287 573092958 /nfs/dbraw/zinc/09/29/58/573092958.db2.gz LNRMWCVRVIKMJK-UHFFFAOYSA-N 0 0 178.235 2.169 10 30 AEEERN CS[C@]1(C#N)CC[C@H]1C 85629974 573093089 /nfs/dbraw/zinc/09/30/89/573093089.db2.gz LRTRDOQJSJWBMD-RQJHMYQMSA-N 0 0 141.239 2.042 10 30 AEEERN C=C[C@@]1(CC)C=C[C@H](O)CC1 238274995 573093096 /nfs/dbraw/zinc/09/30/96/573093096.db2.gz GPTNQXJWHSJOOV-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1[C@H](C)C1(F)F 308217717 573093272 /nfs/dbraw/zinc/09/32/72/573093272.db2.gz ASQQRGKVETYQCB-LYFYHCNISA-N 0 0 190.189 2.005 10 30 AEEERN C=CCOc1ccsc1C(=O)OC 308258508 573093403 /nfs/dbraw/zinc/09/34/03/573093403.db2.gz LEUVXGWYUSABFA-UHFFFAOYSA-N 0 0 198.243 2.100 10 30 AEEERN CCc1c[nH]c(C#N)c1CC 104629434 573093515 /nfs/dbraw/zinc/09/35/15/573093515.db2.gz ICMXJLSIWTYOQO-UHFFFAOYSA-N 0 0 148.209 2.011 10 30 AEEERN CC(C)=C[C@@H]1[C@H](C/C(N)=N\O)C1(C)C 224823278 573093613 /nfs/dbraw/zinc/09/36/13/573093613.db2.gz DAXWENFRURVPHP-BDAKNGLRSA-N 0 0 196.294 2.361 10 30 AEEERN C=CC[C@@H](C)Nc1cnn(CC)c1 308500833 573094277 /nfs/dbraw/zinc/09/42/77/573094277.db2.gz WSAMRBBCJOXEOU-SECBINFHSA-N 0 0 179.267 2.280 10 30 AEEERN CC/C=C\C[C@@H](Cl)C=O 114597589 573094376 /nfs/dbraw/zinc/09/43/76/573094376.db2.gz LOPOWMRYTKAJDV-KFOINNEUSA-N 0 0 146.617 2.149 10 30 AEEERN CS[C@@]1(C#N)CC[C@H]1C 85629984 573094397 /nfs/dbraw/zinc/09/43/97/573094397.db2.gz LRTRDOQJSJWBMD-RNFRBKRXSA-N 0 0 141.239 2.042 10 30 AEEERN C=CCOC(=O)NCc1cccs1 308256156 573094684 /nfs/dbraw/zinc/09/46/84/573094684.db2.gz JKXYSGDELAKHJD-UHFFFAOYSA-N 0 0 197.259 2.160 10 30 AEEERN CCc1nc(C)c(CCC#N)s1 259327268 573094464 /nfs/dbraw/zinc/09/44/64/573094464.db2.gz OTPPBNUZFQEUDX-UHFFFAOYSA-N 0 0 180.276 2.470 10 30 AEEERN C/C=C(\C#CC#CC[C@@H](C)O)CC 238277701 573094783 /nfs/dbraw/zinc/09/47/83/573094783.db2.gz RPQQXZXGNJEHIQ-GFLSPSCZSA-N 0 0 176.259 2.120 10 30 AEEERN C#CC[C@@](C)(CC)C(C)=O 238276004 573094898 /nfs/dbraw/zinc/09/48/98/573094898.db2.gz AVMSKGSMMDSPBF-SECBINFHSA-N 0 0 138.210 2.015 10 30 AEEERN CC[C@]1(CC=O)C=CCC1 238275962 573095062 /nfs/dbraw/zinc/09/50/62/573095062.db2.gz GZTSGVQCWJGEQG-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN Cc1cccc(N)c1OCCCC#N 128635220 573095077 /nfs/dbraw/zinc/09/50/77/573095077.db2.gz LLIBYBBFTGQGAY-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN C=C[C@@H](C)OC(=O)CC(C)(C)C#N 308256007 573095158 /nfs/dbraw/zinc/09/51/58/573095158.db2.gz KPLHVAWIPSXUEE-MRVPVSSYSA-N 0 0 181.235 2.044 10 30 AEEERN C=C[C@H](C)OC(=O)CC(C)(C)C#N 308256008 573095167 /nfs/dbraw/zinc/09/51/67/573095167.db2.gz KPLHVAWIPSXUEE-QMMMGPOBSA-N 0 0 181.235 2.044 10 30 AEEERN C=C1[C@H]2C(=O)c3ccccc3[C@@H]12 222628068 573095193 /nfs/dbraw/zinc/09/51/93/573095193.db2.gz BJCJDSOULRFUOM-NXEZZACHSA-N 0 0 156.184 2.153 10 30 AEEERN CC(C)[C@@H](C#N)CN1CCC[C@H](F)C1 689881538 573095307 /nfs/dbraw/zinc/09/53/07/573095307.db2.gz AJUMARMFVRDKBV-QWRGUYRKSA-N 0 0 198.285 2.216 10 30 AEEERN CS[C@@]1(C#N)CC[C@@H]1C 85629988 573095573 /nfs/dbraw/zinc/09/55/73/573095573.db2.gz LRTRDOQJSJWBMD-NKWVEPMBSA-N 0 0 141.239 2.042 10 30 AEEERN CC#C[C@@H]([C@@H](C)O)[Si](C)(C)C 222626346 573095587 /nfs/dbraw/zinc/09/55/87/573095587.db2.gz MNENKDNAYYXHHK-BDAKNGLRSA-N 0 0 170.328 2.099 10 30 AEEERN Cc1cccc(CC(F)(F)C=O)c1 257940825 573095627 /nfs/dbraw/zinc/09/56/27/573095627.db2.gz VADCOEZPAQNIQB-UHFFFAOYSA-N 0 0 184.185 2.372 10 30 AEEERN C=CCO[C@@H]1CCC=CCC[C@@H]1O 308223157 573095662 /nfs/dbraw/zinc/09/56/62/573095662.db2.gz PECPRTKUKKULHJ-WDEREUQCSA-N 0 0 182.263 2.049 10 30 AEEERN C=CCCC(=O)N1CCCC(=C)C1 308260698 573095892 /nfs/dbraw/zinc/09/58/92/573095892.db2.gz MFTFZYWFKLYNJH-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN CCc1ccc(F)c(CC#N)c1 238276197 573095934 /nfs/dbraw/zinc/09/59/34/573095934.db2.gz QNJLTIWOMHZVCC-UHFFFAOYSA-N 0 0 163.195 2.454 10 30 AEEERN CCn1ccnc1SC[C@H](C)C#N 308255623 573095996 /nfs/dbraw/zinc/09/59/96/573095996.db2.gz IYVMYYQVBVEACN-MRVPVSSYSA-N 0 0 195.291 2.155 10 30 AEEERN CCS[C@@]1(C#N)CC[C@@H]1C 85629995 573096000 /nfs/dbraw/zinc/09/60/00/573096000.db2.gz KSDXKJVVQBMQBC-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN CC#CCCON=Cc1ccco1 308255643 573096047 /nfs/dbraw/zinc/09/60/47/573096047.db2.gz IZJPUMXPTYZEGK-UHFFFAOYSA-N 0 0 177.203 2.044 10 30 AEEERN C/C(=C/N(C)C)C(=O)c1cccs1 82545861 573096059 /nfs/dbraw/zinc/09/60/59/573096059.db2.gz UNTREYYGQZOXEG-FPLPWBNLSA-N 0 0 195.287 2.396 10 30 AEEERN C/C=C/CNc1ccc(C#N)cc1N 306857744 573096131 /nfs/dbraw/zinc/09/61/31/573096131.db2.gz DSHBZZDWTVKKRJ-NSCUHMNNSA-N 0 0 187.246 2.128 10 30 AEEERN CC(C)[C@@H](C#N)CN1CCC[C@@H](F)C1 689881545 573096305 /nfs/dbraw/zinc/09/63/05/573096305.db2.gz AJUMARMFVRDKBV-WDEREUQCSA-N 0 0 198.285 2.216 10 30 AEEERN C=C(OCC)[C@H]1CCCC(=O)C1 238275950 573096374 /nfs/dbraw/zinc/09/63/74/573096374.db2.gz NNMUCWMFWXIVLE-VIFPVBQESA-N 0 0 168.236 2.296 10 30 AEEERN CC(C)(C=O)[C@@H](O)c1ccc(F)cc1 114634942 573096382 /nfs/dbraw/zinc/09/63/82/573096382.db2.gz GVIUHNFCSCAILE-JTQLQIEISA-N 0 0 196.221 2.084 10 30 AEEERN CCc1onc(-c2ccco2)c1C#N 238277104 573096489 /nfs/dbraw/zinc/09/64/89/573096489.db2.gz BBCRNWAUSJODKI-UHFFFAOYSA-N 0 0 188.186 2.369 10 30 AEEERN CC#CCC[C@]1(CC)CCCNC1=O 238276109 573096654 /nfs/dbraw/zinc/09/66/54/573096654.db2.gz QFDFZAZXGHMVGS-GFCCVEGCSA-N 0 0 193.290 2.096 10 30 AEEERN N#Cc1nocc1-c1ccccc1 686130843 573096720 /nfs/dbraw/zinc/09/67/20/573096720.db2.gz JRFMRXBVNQDODJ-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN CCn1cc([C@H](C#N)C(C)C)cn1 259327520 573096786 /nfs/dbraw/zinc/09/67/86/573096786.db2.gz GJSCRZNNPPOVNG-SNVBAGLBSA-N 0 0 177.251 2.166 10 30 AEEERN C[C@@H]1C=CC(=O)C(C)(C)C1 114637836 573097065 /nfs/dbraw/zinc/09/70/65/573097065.db2.gz PITBTMDYVRATGN-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@H](C)[C@](C)(Br)C=O 238276217 573097309 /nfs/dbraw/zinc/09/73/09/573097309.db2.gz PNCJWWBVPFEFOZ-NKWVEPMBSA-N 0 0 193.084 2.385 10 30 AEEERN C=C1[C@H]2c3ccccc3C(=O)[C@@H]12 222628133 573097379 /nfs/dbraw/zinc/09/73/79/573097379.db2.gz BJCJDSOULRFUOM-UWVGGRQHSA-N 0 0 156.184 2.153 10 30 AEEERN CC/C=C/C[C@H](Cl)C=O 114597598 573097559 /nfs/dbraw/zinc/09/75/59/573097559.db2.gz LOPOWMRYTKAJDV-SDLBARTOSA-N 0 0 146.617 2.149 10 30 AEEERN C/C=C(\C#CC#CC[C@H](C)O)CC 238277710 573097745 /nfs/dbraw/zinc/09/77/45/573097745.db2.gz RPQQXZXGNJEHIQ-JXMFCEOTSA-N 0 0 176.259 2.120 10 30 AEEERN C=CCC[C@@H](O)C1(OC)CCCC1 128766768 573099344 /nfs/dbraw/zinc/09/93/44/573099344.db2.gz DIJDYCMVKBVZLV-SNVBAGLBSA-N 0 0 184.279 2.273 10 30 AEEERN CCn1ccnc1SC[C@@H](C)C#N 308255625 573097955 /nfs/dbraw/zinc/09/79/55/573097955.db2.gz IYVMYYQVBVEACN-QMMMGPOBSA-N 0 0 195.291 2.155 10 30 AEEERN COc1cc(Cl)c(F)c(C#N)c1 257943683 573098055 /nfs/dbraw/zinc/09/80/55/573098055.db2.gz AEIVOHNKAIXFCL-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CCc1cc(CCC=O)ccc1OC 257943667 573098291 /nfs/dbraw/zinc/09/82/91/573098291.db2.gz ADXRCNMFWSCOFW-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN CC[C@@H](c1ccccc1C#N)[C@@H](C)O 238276272 573098336 /nfs/dbraw/zinc/09/83/36/573098336.db2.gz CZMXCDPOPDZOMD-MWLCHTKSSA-N 0 0 189.258 2.433 10 30 AEEERN CCCNN=C(COC)CC(C)C 308501531 573098426 /nfs/dbraw/zinc/09/84/26/573098426.db2.gz XENFNZPJWWFOKW-UHFFFAOYSA-N 0 0 186.299 2.035 10 30 AEEERN CC[C@@]1(CCC#N)CCCC1=O 238276127 573098592 /nfs/dbraw/zinc/09/85/92/573098592.db2.gz NIBXGAVESCULAT-JTQLQIEISA-N 0 0 165.236 2.440 10 30 AEEERN C=C[C@H](C)N[C@H](C)c1nnc(C)s1 308220481 573098616 /nfs/dbraw/zinc/09/86/16/573098616.db2.gz BXJMKHHQLIBFNJ-NKWVEPMBSA-N 0 0 197.307 2.072 10 30 AEEERN O=CCN1CCCCc2ccccc21 114596097 573098817 /nfs/dbraw/zinc/09/88/17/573098817.db2.gz GHWWHFSDSKAUHH-UHFFFAOYSA-N 0 0 189.258 2.028 10 30 AEEERN CC[C@@]1(CC=O)CCCC(=O)C1 238275982 573098818 /nfs/dbraw/zinc/09/88/18/573098818.db2.gz FIQLPCMCWNXMJD-JTQLQIEISA-N 0 0 168.236 2.115 10 30 AEEERN CC[C@H](C)NC(C)=C1C=CC=CC1=O 238276020 573098953 /nfs/dbraw/zinc/09/89/53/573098953.db2.gz QRBFHCBQXCTHFN-BLUPIXKYSA-N 0 0 191.274 2.344 10 30 AEEERN C=CCN(C)C(=O)C1=C(Cl)CCC1 308501192 573099296 /nfs/dbraw/zinc/09/92/96/573099296.db2.gz WWEWEAAWNDCZTO-UHFFFAOYSA-N 0 0 199.681 2.308 10 30 AEEERN COc1cccc(N(C)CCC#N)c1 49801868 573099255 /nfs/dbraw/zinc/09/92/55/573099255.db2.gz LBRNUODIKHTMEV-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN C=CC(=O)C(CC)CC 114639125 573099271 /nfs/dbraw/zinc/09/92/71/573099271.db2.gz MPOILDLJWJPUHA-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN CCn1cc([C@@H](C#N)C(C)C)cn1 259327519 573099466 /nfs/dbraw/zinc/09/94/66/573099466.db2.gz GJSCRZNNPPOVNG-JTQLQIEISA-N 0 0 177.251 2.166 10 30 AEEERN C[C@H]1C=CC(=O)C(C)(C)C1 114637834 573099623 /nfs/dbraw/zinc/09/96/23/573099623.db2.gz PITBTMDYVRATGN-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCC[C@H](O)C1(OC)CCCC1 128766993 573099766 /nfs/dbraw/zinc/09/97/66/573099766.db2.gz DIJDYCMVKBVZLV-JTQLQIEISA-N 0 0 184.279 2.273 10 30 AEEERN C/C=C(\C#CC[C@@H](C)O)CC 238277752 573100103 /nfs/dbraw/zinc/10/01/03/573100103.db2.gz UPOVMHFGKUMQBW-BABIGQSTSA-N 0 0 152.237 2.117 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)C(C)(C)C 308262267 573101533 /nfs/dbraw/zinc/10/15/33/573101533.db2.gz NVWLXJAMXRMAAD-DTWKUNHWSA-N 0 0 182.263 2.234 10 30 AEEERN C[C@@H]1CCC[C@@H](C)C1C=O 85656926 573100924 /nfs/dbraw/zinc/10/09/24/573100924.db2.gz XXGMGNSKVTYPDN-HTQZYQBOSA-N 0 0 140.226 2.258 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1ccco1 308258020 573101004 /nfs/dbraw/zinc/10/10/04/573101004.db2.gz MAEKYXCCADBQIL-MRVPVSSYSA-N 0 0 180.203 2.401 10 30 AEEERN C[C@H]1CCC[C@H](C)C1C=O 85656925 573101024 /nfs/dbraw/zinc/10/10/24/573101024.db2.gz XXGMGNSKVTYPDN-YUMQZZPRSA-N 0 0 140.226 2.258 10 30 AEEERN CC[C@@H](O)[C@H](C)C#Cc1ccccc1 238278190 573101171 /nfs/dbraw/zinc/10/11/71/573101171.db2.gz IWYADHFETAWIQQ-DGCLKSJQSA-N 0 0 188.270 2.445 10 30 AEEERN O=CCCCCC(F)(F)F 114679215 573101386 /nfs/dbraw/zinc/10/13/86/573101386.db2.gz ROPVFIIARWCNCH-UHFFFAOYSA-N 0 0 154.131 2.308 10 30 AEEERN O/N=C(/Cl)Cc1ccccc1 114684217 573101430 /nfs/dbraw/zinc/10/14/30/573101430.db2.gz GZBWRHWHHPBVHE-CSKARUKUSA-N 0 0 169.611 2.256 10 30 AEEERN C#CCCCC(=O)OC/C=C/CC 308495456 573101482 /nfs/dbraw/zinc/10/14/82/573101482.db2.gz TVNFDDLXWKXZAF-SOFGYWHQSA-N 0 0 180.247 2.299 10 30 AEEERN C=C(C)CCOC(=O)C1(F)CCC1 308257357 573101760 /nfs/dbraw/zinc/10/17/60/573101760.db2.gz KJMGECSNYPIHRL-UHFFFAOYSA-N 0 0 186.226 2.388 10 30 AEEERN C#CCCCC(=O)OC/C=C\CC 308495457 573101763 /nfs/dbraw/zinc/10/17/63/573101763.db2.gz TVNFDDLXWKXZAF-VURMDHGXSA-N 0 0 180.247 2.299 10 30 AEEERN O=CCCC(Cl)(Cl)Cl 114675159 573101790 /nfs/dbraw/zinc/10/17/90/573101790.db2.gz NEYNPUSYSKSQRG-UHFFFAOYSA-N 0 0 175.442 2.336 10 30 AEEERN CC[C@@H](O)[C@H](C#N)c1ccccc1 238278104 573101909 /nfs/dbraw/zinc/10/19/09/573101909.db2.gz CMPFQXKAJMYFKL-GHMZBOCLSA-N 0 0 175.231 2.065 10 30 AEEERN CCN(C)N=C(C)c1cnc(C)s1 308496061 573102023 /nfs/dbraw/zinc/10/20/23/573102023.db2.gz UAGMLGSXEHYPLB-UHFFFAOYSA-N 0 0 197.307 2.127 10 30 AEEERN CCO[C@H](C#N)[C@H]1CC=CCC1 238278889 573102709 /nfs/dbraw/zinc/10/27/09/573102709.db2.gz VTRHENUWFJOUPT-VHSXEESVSA-N 0 0 165.236 2.271 10 30 AEEERN C[C@@H](c1cscn1)N(C)CCC#N 308257219 573102151 /nfs/dbraw/zinc/10/21/51/573102151.db2.gz LHCLCFCDHDXOBH-QMMMGPOBSA-N 0 0 195.291 2.050 10 30 AEEERN Cc1ccc([C@@H](N)[C@@H](C#N)C(C)C)o1 259328680 573102224 /nfs/dbraw/zinc/10/22/24/573102224.db2.gz JALLJLDRCSIDKT-ONGXEEELSA-N 0 0 192.262 2.384 10 30 AEEERN CCc1nc(C(C)C)c(CC#N)o1 259600976 573102400 /nfs/dbraw/zinc/10/24/00/573102400.db2.gz FHNYNKUCZOBTRG-UHFFFAOYSA-N 0 0 178.235 2.426 10 30 AEEERN Cc1ccc([C@H](N)[C@H](C#N)C(C)C)o1 259328675 573102438 /nfs/dbraw/zinc/10/24/38/573102438.db2.gz JALLJLDRCSIDKT-MWLCHTKSSA-N 0 0 192.262 2.384 10 30 AEEERN CCC[C@@H]1OC=C(C)C(=O)[C@@H]1C 238279052 573102447 /nfs/dbraw/zinc/10/24/47/573102447.db2.gz RFSRMRKAGDTFMZ-BDAKNGLRSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1ccco1 308258021 573102473 /nfs/dbraw/zinc/10/24/73/573102473.db2.gz MAEKYXCCADBQIL-QMMMGPOBSA-N 0 0 180.203 2.401 10 30 AEEERN CCO[C@H](C#N)[C@@H]1CC=CCC1 238278924 573102531 /nfs/dbraw/zinc/10/25/31/573102531.db2.gz VTRHENUWFJOUPT-NXEZZACHSA-N 0 0 165.236 2.271 10 30 AEEERN CCSC(CC=O)SCC 238279314 573102702 /nfs/dbraw/zinc/10/27/02/573102702.db2.gz XGFTVOSGWVUDDK-UHFFFAOYSA-N 0 0 178.322 2.408 10 30 AEEERN CCC[C@@H]1OC=C(C)C(=O)[C@H]1C 238279068 573102967 /nfs/dbraw/zinc/10/29/67/573102967.db2.gz RFSRMRKAGDTFMZ-IUCAKERBSA-N 0 0 168.236 2.294 10 30 AEEERN O=CCCC1=CCCCC1 114661686 573102858 /nfs/dbraw/zinc/10/28/58/573102858.db2.gz JCJMLAMVTOLKIU-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CCO[C@@H](C#N)C[C@@H](C)CC 394426053 573102906 /nfs/dbraw/zinc/10/29/06/573102906.db2.gz VFEONNKHOIECBI-DTWKUNHWSA-N 0 0 155.241 2.351 10 30 AEEERN C=CCc1noc(CCSCC)n1 308257335 573103651 /nfs/dbraw/zinc/10/36/51/573103651.db2.gz KHLRTHLGBPIVDJ-UHFFFAOYSA-N 0 0 198.291 2.094 10 30 AEEERN CC(C)N1c2ccccc2C[C@@H]1C=O 257941078 573103563 /nfs/dbraw/zinc/10/35/63/573103563.db2.gz BRLUJFFTAJMERX-LLVKDONJSA-N 0 0 189.258 2.025 10 30 AEEERN C=CCCCC[C@H](C)NC(=O)NC 308257095 573103686 /nfs/dbraw/zinc/10/36/86/573103686.db2.gz KEBXUOKYDNHHJM-VIFPVBQESA-N 0 0 184.283 2.050 10 30 AEEERN C=CCCCC(=O)OC(C)(C)C#N 308256571 573103713 /nfs/dbraw/zinc/10/37/13/573103713.db2.gz KZBQNGRCXODDNF-UHFFFAOYSA-N 0 0 181.235 2.188 10 30 AEEERN C/C=C(\C#CC[C@H](C)O)CC 238277785 573103875 /nfs/dbraw/zinc/10/38/75/573103875.db2.gz UPOVMHFGKUMQBW-SGRPLGENSA-N 0 0 152.237 2.117 10 30 AEEERN N#Cc1[nH]nc(-c2ccco2)c1C1CC1 259328701 573103881 /nfs/dbraw/zinc/10/38/81/573103881.db2.gz DPCZZJUCLJPFSV-UHFFFAOYSA-N 0 0 199.213 2.419 10 30 AEEERN C=C(C)CC(=O)CC(=C)C 114661148 573103906 /nfs/dbraw/zinc/10/39/06/573103906.db2.gz AIVCQENGMBYWNA-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN CCC[C@H]1CNC2=C1C(=O)CCC2 238279253 573104048 /nfs/dbraw/zinc/10/40/48/573104048.db2.gz IIZLUIYLMDATLI-QMMMGPOBSA-N 0 0 179.263 2.013 10 30 AEEERN N#Cc1cc(Nc2ccccn2)ccn1 259600573 573104712 /nfs/dbraw/zinc/10/47/12/573104712.db2.gz CWBBSJISVPJFAA-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN COc1ccc(CS)cc1[N+](=O)[O-] 114659508 573104109 /nfs/dbraw/zinc/10/41/09/573104109.db2.gz XVRLCBPJGSBPDS-UHFFFAOYSA-N 0 0 199.231 2.033 10 30 AEEERN CC(C)(C=O)[C@H](O)c1ccc(F)cc1 114641753 573104141 /nfs/dbraw/zinc/10/41/41/573104141.db2.gz GVIUHNFCSCAILE-SNVBAGLBSA-N 0 0 196.221 2.084 10 30 AEEERN CC(C)N1c2ccccc2C[C@H]1C=O 257941082 573104188 /nfs/dbraw/zinc/10/41/88/573104188.db2.gz BRLUJFFTAJMERX-NSHDSACASA-N 0 0 189.258 2.025 10 30 AEEERN CCO[C@H](C)C1=C(C)CCC1=O 238279905 573104856 /nfs/dbraw/zinc/10/48/56/573104856.db2.gz GVCNMCPDAQWOQD-MRVPVSSYSA-N 0 0 168.236 2.091 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H](C)C(C)(C)C 308262270 573104636 /nfs/dbraw/zinc/10/46/36/573104636.db2.gz NVWLXJAMXRMAAD-RKDXNWHRSA-N 0 0 182.263 2.234 10 30 AEEERN Cc1ccn(-c2cccc(C#N)c2)n1 82033243 573104700 /nfs/dbraw/zinc/10/47/00/573104700.db2.gz BKMDPFSKXPUESU-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN Cc1ccc([C@@H](N)[C@H](C#N)C(C)C)o1 259328668 573104890 /nfs/dbraw/zinc/10/48/90/573104890.db2.gz JALLJLDRCSIDKT-KOLCDFICSA-N 0 0 192.262 2.384 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)C(C)(C)C 308262269 573105203 /nfs/dbraw/zinc/10/52/03/573105203.db2.gz NVWLXJAMXRMAAD-IUCAKERBSA-N 0 0 182.263 2.234 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H](C)C(C)(C)C 308262266 573105386 /nfs/dbraw/zinc/10/53/86/573105386.db2.gz NVWLXJAMXRMAAD-BDAKNGLRSA-N 0 0 182.263 2.234 10 30 AEEERN C=C[C@H](C)OC(=O)C1CC(F)(F)C1 308257243 573105587 /nfs/dbraw/zinc/10/55/87/573105587.db2.gz LIVHKUKOCPCCGT-LURJTMIESA-N 0 0 190.189 2.149 10 30 AEEERN C=CC/C(=C\CCO)CC 238279718 573106212 /nfs/dbraw/zinc/10/62/12/573106212.db2.gz MIVGJHPIHCCMEY-CLFYSBASSA-N 0 0 140.226 2.281 10 30 AEEERN Cc1cnc(CS)n1C(C)C 257941549 573106220 /nfs/dbraw/zinc/10/62/20/573106220.db2.gz VMCQDZRVTWXLOE-UHFFFAOYSA-N 0 0 170.281 2.202 10 30 AEEERN CC(C)/C=C/C(=O)OCCCC#N 308263028 573106412 /nfs/dbraw/zinc/10/64/12/573106412.db2.gz OGISVEWVQCDCTM-AATRIKPKSA-N 0 0 181.235 2.046 10 30 AEEERN CN[C@@H](C#N)c1coc2ccccc12 259330521 573106542 /nfs/dbraw/zinc/10/65/42/573106542.db2.gz JYMBCCWFSKFXSW-JTQLQIEISA-N 0 0 186.214 2.217 10 30 AEEERN C[C@@H]1C=C[C@H](C)[C@@H](C=O)C1 114656616 573106574 /nfs/dbraw/zinc/10/65/74/573106574.db2.gz HPEDKIIUXMEXNR-HRDYMLBCSA-N 0 0 138.210 2.034 10 30 AEEERN CC(C)/C=C\C(=O)OCCCC#N 308263029 573106586 /nfs/dbraw/zinc/10/65/86/573106586.db2.gz OGISVEWVQCDCTM-WAYWQWQTSA-N 0 0 181.235 2.046 10 30 AEEERN C=C(C)CNN=C(C)c1ccoc1 308263372 573106641 /nfs/dbraw/zinc/10/66/41/573106641.db2.gz NYVQCQMVUJRZOW-UHFFFAOYSA-N 0 0 178.235 2.169 10 30 AEEERN C#CCCCSCCO[C@H](C)C#N 308264040 573107166 /nfs/dbraw/zinc/10/71/66/573107166.db2.gz OXLSHHAXILQOQK-SNVBAGLBSA-N 0 0 197.303 2.062 10 30 AEEERN N#CC[C@H]1CC[C@@]2(CC(=O)CS2)C1 259600612 573107187 /nfs/dbraw/zinc/10/71/87/573107187.db2.gz GBNOSUKELGJZNN-SCZZXKLOSA-N 0 0 195.287 2.145 10 30 AEEERN CC(C)(C)[C@]1(C#N)CCCCN1 258528479 573107202 /nfs/dbraw/zinc/10/72/02/573107202.db2.gz CQPQHTHOAHOTSL-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)[C@@H](C)C(=O)O[C@H](C)CC#N 308262621 573107536 /nfs/dbraw/zinc/10/75/36/573107536.db2.gz OAQHLKGFWWPTET-RKDXNWHRSA-N 0 0 183.251 2.124 10 30 AEEERN C=CC1=CC(=C)CC1 142023476 573107967 /nfs/dbraw/zinc/10/79/67/573107967.db2.gz WVDDZDDLGGILAB-UHFFFAOYSA-N 0 0 106.168 2.449 10 30 AEEERN C/N=C(\SC)c1cccc(OC)c1 258528559 573108079 /nfs/dbraw/zinc/10/80/79/573108079.db2.gz CRYICLBLBPBXMA-KHPPLWFESA-N 0 0 195.287 2.435 10 30 AEEERN C#C[C@H](C)[C@@]1(C)C=CC(C)=CC1=O 141973139 573108230 /nfs/dbraw/zinc/10/82/30/573108230.db2.gz OUPCMKPMOBSETN-CMPLNLGQSA-N 0 0 174.243 2.347 10 30 AEEERN CC(C)[C@@H](C)C(=O)O[C@@H](C)CC#N 308262619 573108245 /nfs/dbraw/zinc/10/82/45/573108245.db2.gz OAQHLKGFWWPTET-DTWKUNHWSA-N 0 0 183.251 2.124 10 30 AEEERN CCC(CO)N=Nc1ccc(C)cc1 238280261 573108285 /nfs/dbraw/zinc/10/82/85/573108285.db2.gz OOYJRMSSVHOKLX-BENRWUELSA-N 0 0 192.262 2.165 10 30 AEEERN N#CC[C@@H]1CC[C@@]2(CC(=O)CS2)C1 259600618 573108307 /nfs/dbraw/zinc/10/83/07/573108307.db2.gz GBNOSUKELGJZNN-WPRPVWTQSA-N 0 0 195.287 2.145 10 30 AEEERN C#CCCCC(=O)O[C@@H](C)C(=C)C 308263064 573108356 /nfs/dbraw/zinc/10/83/56/573108356.db2.gz OIGJVKMDYWIYQC-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN Cc1ccsc1[C@@]1(C)CO1 259330314 573108380 /nfs/dbraw/zinc/10/83/80/573108380.db2.gz OOFYITNHYSLRIE-MRVPVSSYSA-N 0 0 154.234 2.302 10 30 AEEERN Cc1nc2c(CC#N)nccc2s1 259600692 573108559 /nfs/dbraw/zinc/10/85/59/573108559.db2.gz GCKFBVMJGACSKD-UHFFFAOYSA-N 0 0 189.243 2.066 10 30 AEEERN N#C[C@@H](c1ccncn1)C1CCCC1 258528748 573108611 /nfs/dbraw/zinc/10/86/11/573108611.db2.gz GZTADUSVWVFMAB-SNVBAGLBSA-N 0 0 187.246 2.274 10 30 AEEERN Cc1ccsc1[C@H](O)CS 259329406 573108627 /nfs/dbraw/zinc/10/86/27/573108627.db2.gz URIUCKAJMUIBJC-ZCFIWIBFSA-N 0 0 174.290 2.020 10 30 AEEERN Nc1c(C=NO)ccc2ccccc12 308262739 573108629 /nfs/dbraw/zinc/10/86/29/573108629.db2.gz NYLJJCQOUCQDMW-UHFFFAOYSA-N 0 0 186.214 2.230 10 30 AEEERN C=CCC[C@H](C)NCC(F)(F)F 131909100 573108655 /nfs/dbraw/zinc/10/86/55/573108655.db2.gz AXSJWLOGCDDAND-ZETCQYMHSA-N 0 0 181.201 2.493 10 30 AEEERN N#CC[C@H]1CC[C@]2(CC(=O)CS2)C1 259600606 573108778 /nfs/dbraw/zinc/10/87/78/573108778.db2.gz GBNOSUKELGJZNN-PSASIEDQSA-N 0 0 195.287 2.145 10 30 AEEERN Fc1cccc(F)c1NC1=NCCC1 88225393 573108787 /nfs/dbraw/zinc/10/87/87/573108787.db2.gz MTXZMAKVGUXEGR-UHFFFAOYSA-N 0 0 196.200 2.378 10 30 AEEERN CCO[C@@H](CC=O)CC1CCC1 258528405 573108945 /nfs/dbraw/zinc/10/89/45/573108945.db2.gz NFATUBXCXPXRCJ-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C#C[C@@H](C)[C@@]1(C)C=CC(C)=CC1=O 141973533 573108989 /nfs/dbraw/zinc/10/89/89/573108989.db2.gz OUPCMKPMOBSETN-ZYHUDNBSSA-N 0 0 174.243 2.347 10 30 AEEERN N#CCCCc1nc2c(o1)CCCC2 259600565 573109071 /nfs/dbraw/zinc/10/90/71/573109071.db2.gz GBDOHQUCEGUNAE-UHFFFAOYSA-N 0 0 190.246 2.400 10 30 AEEERN CC(C)[C@H](C)C(=O)O[C@@H](C)CC#N 308262620 573109393 /nfs/dbraw/zinc/10/93/93/573109393.db2.gz OAQHLKGFWWPTET-IUCAKERBSA-N 0 0 183.251 2.124 10 30 AEEERN Cc1csc(-c2ccc(C#N)[nH]2)n1 259600569 573109697 /nfs/dbraw/zinc/10/96/97/573109697.db2.gz GBFDLPQXWYBTSW-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C#CCCCSCCO[C@@H](C)C#N 308264039 573109794 /nfs/dbraw/zinc/10/97/94/573109794.db2.gz OXLSHHAXILQOQK-JTQLQIEISA-N 0 0 197.303 2.062 10 30 AEEERN Cc1ccc(CC=O)c(Cl)c1 114697799 573109904 /nfs/dbraw/zinc/10/99/04/573109904.db2.gz OIIMXYMIKVWNRN-UHFFFAOYSA-N 0 0 168.623 2.390 10 30 AEEERN CC(C)[C@H](C)C(=O)O[C@H](C)CC#N 308262618 573110082 /nfs/dbraw/zinc/11/00/82/573110082.db2.gz OAQHLKGFWWPTET-BDAKNGLRSA-N 0 0 183.251 2.124 10 30 AEEERN Cc1ccsc1[C@]1(C)CO1 259330316 573110214 /nfs/dbraw/zinc/11/02/14/573110214.db2.gz OOFYITNHYSLRIE-QMMMGPOBSA-N 0 0 154.234 2.302 10 30 AEEERN Fc1ccc(F)c(NC2=NCCC2)c1 88225377 573110257 /nfs/dbraw/zinc/11/02/57/573110257.db2.gz QXCGYYMSDHHJCY-UHFFFAOYSA-N 0 0 196.200 2.378 10 30 AEEERN Cc1ccc(NC(=O)CS)cc1F 88225543 573110383 /nfs/dbraw/zinc/11/03/83/573110383.db2.gz RZLXIJOMOAENPI-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN CC(C)(C)NN=CC1(C(F)F)CC1 308263475 573110698 /nfs/dbraw/zinc/11/06/98/573110698.db2.gz OLHKYRHPXQLYEK-UHFFFAOYSA-N 0 0 190.237 2.406 10 30 AEEERN CCO[C@H](CC=O)CC1CCC1 258528406 573110811 /nfs/dbraw/zinc/11/08/11/573110811.db2.gz NFATUBXCXPXRCJ-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@H](C)OC1=C(C)CCC1=O 238285763 573110985 /nfs/dbraw/zinc/11/09/85/573110985.db2.gz KBFZCJFWJLKOAG-QMMMGPOBSA-N 0 0 168.236 2.438 10 30 AEEERN CCc1ccc(OC)cc1CC#N 238286515 573110918 /nfs/dbraw/zinc/11/09/18/573110918.db2.gz JXOTVEIYRXRXKT-UHFFFAOYSA-N 0 0 175.231 2.324 10 30 AEEERN N#Cc1sc2ccsc2c1N 259330088 573111521 /nfs/dbraw/zinc/11/15/21/573111521.db2.gz BOUSWWYEUZGOQJ-UHFFFAOYSA-N 0 0 180.257 2.417 10 30 AEEERN CC(C)(C)[C@@]1(C#N)CCCCN1 258528478 573111934 /nfs/dbraw/zinc/11/19/34/573111934.db2.gz CQPQHTHOAHOTSL-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN C=CCC[C@@H](C)NCC(F)(F)F 131909264 573112146 /nfs/dbraw/zinc/11/21/46/573112146.db2.gz AXSJWLOGCDDAND-SSDOTTSWSA-N 0 0 181.201 2.493 10 30 AEEERN CC(C)c1csc(CC=O)n1 259332356 573112256 /nfs/dbraw/zinc/11/22/56/573112256.db2.gz QGAOWEVONFDTDX-UHFFFAOYSA-N 0 0 169.249 2.008 10 30 AEEERN Fc1ccc(N=Cc2ncc[nH]2)cc1 308264544 573112739 /nfs/dbraw/zinc/11/27/39/573112739.db2.gz SZIAQBZMZROOAH-UHFFFAOYSA-N 0 0 189.193 2.299 10 30 AEEERN CC=CC(=O)C=C(N)c1ccccc1 308264555 573112818 /nfs/dbraw/zinc/11/28/18/573112818.db2.gz TXKMQSBWEMGBSH-XFXZXTDPSA-N 0 0 187.242 2.131 10 30 AEEERN O=C[C@H]1CSc2ccc(F)cc21 257944330 573113048 /nfs/dbraw/zinc/11/30/48/573113048.db2.gz DSPBOWXTFIPVIO-LURJTMIESA-N 0 0 182.219 2.214 10 30 AEEERN CC[C@H]1CC(=O)C(C)=C1C 238286477 573113075 /nfs/dbraw/zinc/11/30/75/573113075.db2.gz OVUKXBLWPZQINY-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1C(=O)C=C(C)[C@@H]1CC 238285138 573113110 /nfs/dbraw/zinc/11/31/10/573113110.db2.gz ZMEYDOORDDYDEK-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C#CCC[C@]1(O)CCO[C@@H](CCC)C1 69896147 573113239 /nfs/dbraw/zinc/11/32/39/573113239.db2.gz WAPQWCRDRDTGDP-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN Cc1ccc(C(=O)C(C#N)C#N)cc1C 88329566 573113421 /nfs/dbraw/zinc/11/34/21/573113421.db2.gz AOQYCVJAPXSDES-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 AEEERN C=C[C@@]1(C)CC[C@@H]([C@H](C)[C@H](C)O)O1 197984748 573113559 /nfs/dbraw/zinc/11/35/59/573113559.db2.gz DTMNLTMKMOJMPJ-RCWTZXSCSA-N 0 0 184.279 2.127 10 30 AEEERN C#C[C@](C)(CC)[C@H]1CCCC1=O 238286620 573114704 /nfs/dbraw/zinc/11/47/04/573114704.db2.gz KTORQPYXGKOWKZ-GXSJLCMTSA-N 0 0 164.248 2.405 10 30 AEEERN CC1([C@@H](O)[C@@]2(C#N)CC2(C)C)CCC1 686130965 573114066 /nfs/dbraw/zinc/11/40/66/573114066.db2.gz NRTRLMYRYBXAPZ-SKDRFNHKSA-N 0 0 193.290 2.477 10 30 AEEERN CCc1ccc(C(=O)C(C#N)C#N)cc1 88329555 573114099 /nfs/dbraw/zinc/11/40/99/573114099.db2.gz BLKMTDBLCKQNCJ-UHFFFAOYSA-N 0 0 198.225 2.095 10 30 AEEERN O=C[C@@H]1CSc2ccc(F)cc21 257944336 573114135 /nfs/dbraw/zinc/11/41/35/573114135.db2.gz DSPBOWXTFIPVIO-ZCFIWIBFSA-N 0 0 182.219 2.214 10 30 AEEERN C#CC(=O)[C@@](C)(CC)C(C)C 238286887 573114365 /nfs/dbraw/zinc/11/43/65/573114365.db2.gz TZSRBOIPCCQNLH-JTQLQIEISA-N 0 0 152.237 2.261 10 30 AEEERN CC[C@H](C)OC1=CCCCC1=O 238285827 573114399 /nfs/dbraw/zinc/11/43/99/573114399.db2.gz RPCOJBOSJDQKIP-QMMMGPOBSA-N 0 0 168.236 2.438 10 30 AEEERN C=C1CCCC[C@@H]1NC(=O)OCC 238285488 573114410 /nfs/dbraw/zinc/11/44/10/573114410.db2.gz MJJLWNBACPPDLA-VIFPVBQESA-N 0 0 183.251 2.231 10 30 AEEERN C=C1CCC(=O)[C@@H](CC)C1 238286258 573114425 /nfs/dbraw/zinc/11/44/25/573114425.db2.gz YNTNZGSQTAPTDK-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CCC1=CC(=O)C[C@@H]1CC 238286745 573114490 /nfs/dbraw/zinc/11/44/90/573114490.db2.gz UBGVZKROWHZXNQ-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@H](C)OC1=CCCC1=O 238285811 573114497 /nfs/dbraw/zinc/11/44/97/573114497.db2.gz HELXNBNXFLRXII-ZETCQYMHSA-N 0 0 154.209 2.048 10 30 AEEERN CC[C@H](C)OC1=CC(=O)CC1 238285795 573114584 /nfs/dbraw/zinc/11/45/84/573114584.db2.gz VJGHDWBMIXNDPU-ZETCQYMHSA-N 0 0 154.209 2.048 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)C1(C)CCC1 686130966 573114604 /nfs/dbraw/zinc/11/46/04/573114604.db2.gz NXBUFPMNJPEFCR-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN C#C[C@](C)(CC)c1ccc[nH]1 238286644 573114697 /nfs/dbraw/zinc/11/46/97/573114697.db2.gz REKLKVVMDNHDAC-SNVBAGLBSA-N 0 0 147.221 2.316 10 30 AEEERN CN1CCC(=O)C2=C1CCCCC2 142072298 573115323 /nfs/dbraw/zinc/11/53/23/573115323.db2.gz GMXIRCVERFYAPR-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN CC[C@H]1CC(=O)C[C@@](C)(C#N)C1 238287323 573115291 /nfs/dbraw/zinc/11/52/91/573115291.db2.gz OPZNLAMXVGBVRS-WPRPVWTQSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)C1(C)CCC1 686130968 573115648 /nfs/dbraw/zinc/11/56/48/573115648.db2.gz NXBUFPMNJPEFCR-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](CO)c1ccccc1C#N 307023357 573115850 /nfs/dbraw/zinc/11/58/50/573115850.db2.gz FLJAYVUVMWTMHN-VIFPVBQESA-N 0 0 175.231 2.044 10 30 AEEERN C=C[C@@H]1NC(=O)N(C(C)(C)C)[C@H]1CC 238287314 573115726 /nfs/dbraw/zinc/11/57/26/573115726.db2.gz JANFQZHQDGXZKF-IUCAKERBSA-N 0 0 196.294 2.143 10 30 AEEERN CC1([C@H](O)[C@@]2(C#N)CC2(C)C)CCC1 686130963 573115734 /nfs/dbraw/zinc/11/57/34/573115734.db2.gz NRTRLMYRYBXAPZ-CABZTGNLSA-N 0 0 193.290 2.477 10 30 AEEERN CCS[C@@H](CC)CC=O 238288501 573115735 /nfs/dbraw/zinc/11/57/35/573115735.db2.gz XMGFLARXAXFXQC-ZETCQYMHSA-N 0 0 146.255 2.107 10 30 AEEERN C=CCC(=O)C1(OC)CCCC1 128742286 573115814 /nfs/dbraw/zinc/11/58/14/573115814.db2.gz OIERTNMTLDAARB-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C=C1[C@@H]2C[C@@H]2C(=O)[C@@]1(C)CC 238287987 573119031 /nfs/dbraw/zinc/11/90/31/573119031.db2.gz CREAKMLXLKQOMN-NRPADANISA-N 0 0 150.221 2.178 10 30 AEEERN C#C[C@@H](O)/C(C)=C\c1ccc(C)cc1 144061096 573116266 /nfs/dbraw/zinc/11/62/66/573116266.db2.gz LHKZJKDCCRLJEB-PRWOLLLXSA-N 0 0 186.254 2.392 10 30 AEEERN CC[C@H](C)O[C@H]1C=CC(=O)CC1 238287168 573116360 /nfs/dbraw/zinc/11/63/60/573116360.db2.gz UQDUEZOCVWEIIK-WPRPVWTQSA-N 0 0 168.236 2.089 10 30 AEEERN CC[C@H]1CC(C(C)=O)=C(C)O1 238287968 573116373 /nfs/dbraw/zinc/11/63/73/573116373.db2.gz IIABUSHZBLVJKL-QMMMGPOBSA-N 0 0 154.209 2.048 10 30 AEEERN C#CCC[C@]1(O)CCO[C@@](C)(CC)C1 69896856 573116457 /nfs/dbraw/zinc/11/64/57/573116457.db2.gz WUDCVPOYYBVPAM-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CC1([C@@H](O)[C@]2(C#N)CC2(C)C)CCC1 686130962 573116644 /nfs/dbraw/zinc/11/66/44/573116644.db2.gz NRTRLMYRYBXAPZ-BXKDBHETSA-N 0 0 193.290 2.477 10 30 AEEERN C#CCC[C@@]1(O)CCO[C@@](C)(CC)C1 69896859 573116742 /nfs/dbraw/zinc/11/67/42/573116742.db2.gz WUDCVPOYYBVPAM-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN C#Cc1cccc(N(C)C2CC2)c1 144035163 573116762 /nfs/dbraw/zinc/11/67/62/573116762.db2.gz HFPQUMNSNFVKSD-UHFFFAOYSA-N 0 0 171.243 2.267 10 30 AEEERN CC[C@H](C)O[C@@H]1C=CC(=O)CC1 238287584 573116948 /nfs/dbraw/zinc/11/69/48/573116948.db2.gz UQDUEZOCVWEIIK-WCBMZHEXSA-N 0 0 168.236 2.089 10 30 AEEERN C#CCC[C@@]1(O)CCO[C@](C)(CC)C1 69896858 573117182 /nfs/dbraw/zinc/11/71/82/573117182.db2.gz WUDCVPOYYBVPAM-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN C=C[C@H](C)OC(=O)c1csnc1C 308273715 573117219 /nfs/dbraw/zinc/11/72/19/573117219.db2.gz UCDDHAAPPYTHRC-LURJTMIESA-N 0 0 197.259 2.183 10 30 AEEERN CC=C=C[C@](C)(C=O)CC 238287394 573117484 /nfs/dbraw/zinc/11/74/84/573117484.db2.gz KYKPQUUYIXLJLW-IOJJLOCKSA-N 0 0 138.210 2.333 10 30 AEEERN C=C[C@@H](C)OC(=O)c1csnc1C 308273716 573117516 /nfs/dbraw/zinc/11/75/16/573117516.db2.gz UCDDHAAPPYTHRC-ZCFIWIBFSA-N 0 0 197.259 2.183 10 30 AEEERN CCOc1ccc2nc(C#N)oc2c1 307026909 573117995 /nfs/dbraw/zinc/11/79/95/573117995.db2.gz LCHGFXCXXRPVCY-UHFFFAOYSA-N 0 0 188.186 2.098 10 30 AEEERN Oc1ccc(CS)c(Cl)c1 258232698 573118040 /nfs/dbraw/zinc/11/80/40/573118040.db2.gz YULZGZKWTPUYAR-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN CC[C@@H](C#N)N(C)c1ccccc1C#N 128722899 573118111 /nfs/dbraw/zinc/11/81/11/573118111.db2.gz COJQTLGYDRILMJ-NSHDSACASA-N 0 0 199.257 2.297 10 30 AEEERN C=CCC[C@H](C)Sc1nncn1C 308267953 573118125 /nfs/dbraw/zinc/11/81/25/573118125.db2.gz QSLQCBFVRMIVPY-QMMMGPOBSA-N 0 0 197.307 2.262 10 30 AEEERN CCS[C@@H](CC)[C@@H](C)C=O 238288528 573118282 /nfs/dbraw/zinc/11/82/82/573118282.db2.gz YMLHLRXKFMNRAP-YUMQZZPRSA-N 0 0 160.282 2.353 10 30 AEEERN CCS[C@@H](CC)[C@H](C)C=O 238288537 573118288 /nfs/dbraw/zinc/11/82/88/573118288.db2.gz YMLHLRXKFMNRAP-SFYZADRCSA-N 0 0 160.282 2.353 10 30 AEEERN C=C=Nc1ccc(OCC)cc1 238288246 573118401 /nfs/dbraw/zinc/11/84/01/573118401.db2.gz GPYCSIMINJSBFZ-UHFFFAOYSA-N 0 0 161.204 2.088 10 30 AEEERN C#CCCCSCc1ncccn1 308267564 573118506 /nfs/dbraw/zinc/11/85/06/573118506.db2.gz QFSYYUQUBFXIPE-UHFFFAOYSA-N 0 0 192.287 2.123 10 30 AEEERN Cc1cc(C)cc(C(=O)C(C#N)C#N)c1 88329547 573118678 /nfs/dbraw/zinc/11/86/78/573118678.db2.gz MPKCMWIIYGQBAG-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 AEEERN CC[C@H]1CC(=O)C[C@](C)(C#N)C1 238287440 573118698 /nfs/dbraw/zinc/11/86/98/573118698.db2.gz OPZNLAMXVGBVRS-WCBMZHEXSA-N 0 0 165.236 2.295 10 30 AEEERN CC1([C@H](O)[C@]2(C#N)CC2(C)C)CCC1 686130964 573118827 /nfs/dbraw/zinc/11/88/27/573118827.db2.gz NRTRLMYRYBXAPZ-JOYOIKCWSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@H](NN=CCCC1CC1)C(F)F 308267946 573119144 /nfs/dbraw/zinc/11/91/44/573119144.db2.gz QRZRLENQFQSCOH-ZETCQYMHSA-N 0 0 190.237 2.406 10 30 AEEERN C#CC[C@](C)(CC)C(C)=O 238287547 573119526 /nfs/dbraw/zinc/11/95/26/573119526.db2.gz AVMSKGSMMDSPBF-VIFPVBQESA-N 0 0 138.210 2.015 10 30 AEEERN CC[C@H](CO)c1ccccc1C#N 307023356 573119694 /nfs/dbraw/zinc/11/96/94/573119694.db2.gz FLJAYVUVMWTMHN-SECBINFHSA-N 0 0 175.231 2.044 10 30 AEEERN C[C@H](C#N)C(=O)C1C(C)(C)C1(C)C 85709860 573119806 /nfs/dbraw/zinc/11/98/06/573119806.db2.gz UUNWXROWKGCNOI-SSDOTTSWSA-N 0 0 179.263 2.397 10 30 AEEERN CC(=O)C=CNc1ccc(C#N)cc1 308266700 573119836 /nfs/dbraw/zinc/11/98/36/573119836.db2.gz HOVCBXOKQKUSKM-SREVYHEPSA-N 0 0 186.214 2.073 10 30 AEEERN C[C@@H](NN=CCCC1CC1)C(F)F 308267945 573119862 /nfs/dbraw/zinc/11/98/62/573119862.db2.gz QRZRLENQFQSCOH-SSDOTTSWSA-N 0 0 190.237 2.406 10 30 AEEERN CCn1cc(C[C@](C)(C=O)CC)cn1 317639524 573119917 /nfs/dbraw/zinc/11/99/17/573119917.db2.gz XNKNOWYQALOQIP-LLVKDONJSA-N 0 0 194.278 2.061 10 30 AEEERN NC(/C=C/C=C\c1ccccc1)=NO 308266726 573120038 /nfs/dbraw/zinc/12/00/38/573120038.db2.gz HUMRTRGENGHDHF-MVTUOISNSA-N 0 0 188.230 2.002 10 30 AEEERN C=CCC[C@@H](C)Sc1nncn1C 308267952 573120080 /nfs/dbraw/zinc/12/00/80/573120080.db2.gz QSLQCBFVRMIVPY-MRVPVSSYSA-N 0 0 197.307 2.262 10 30 AEEERN CC(=O)C=C(N)CCc1ccccc1 308268236 573120130 /nfs/dbraw/zinc/12/01/30/573120130.db2.gz NJPFKBJIANIMDN-XFXZXTDPSA-N 0 0 189.258 2.051 10 30 AEEERN CC(C)(C)Sc1ccnc(C#N)n1 307024382 573120186 /nfs/dbraw/zinc/12/01/86/573120186.db2.gz IPSMXELYWWLAKO-UHFFFAOYSA-N 0 0 193.275 2.239 10 30 AEEERN C[C@@H](C#N)C(=O)C1C(C)(C)C1(C)C 85709857 573120224 /nfs/dbraw/zinc/12/02/24/573120224.db2.gz UUNWXROWKGCNOI-ZETCQYMHSA-N 0 0 179.263 2.397 10 30 AEEERN CC(C)(O)Cc1cccc(CC#N)c1 259331277 573120237 /nfs/dbraw/zinc/12/02/37/573120237.db2.gz GRHIDYVAKNLMNX-UHFFFAOYSA-N 0 0 189.258 2.066 10 30 AEEERN C=C1C(=O)C([Si](C)(C)C)=C1C 197992700 573120244 /nfs/dbraw/zinc/12/02/44/573120244.db2.gz JHOBEXRKNBEQCP-UHFFFAOYSA-N 0 0 166.296 2.319 10 30 AEEERN CCC[C@H](C)N(CC#N)CCC 233333712 573120464 /nfs/dbraw/zinc/12/04/64/573120464.db2.gz AOIQACMDNDATOK-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN C#C[C@H](O)/C(C)=C\c1ccc(C)cc1 144060686 573121028 /nfs/dbraw/zinc/12/10/28/573121028.db2.gz LHKZJKDCCRLJEB-FUWURINLSA-N 0 0 186.254 2.392 10 30 AEEERN COCc1c(F)cc(C#N)cc1Cl 258233580 573122518 /nfs/dbraw/zinc/12/25/18/573122518.db2.gz VZSXHPVEWSTXML-UHFFFAOYSA-N 0 0 199.612 2.497 10 30 AEEERN C#C[C@H](CC)Nc1cc(C)nc(C#N)c1 308273910 573122779 /nfs/dbraw/zinc/12/27/79/573122779.db2.gz AGQUMMRXKMANKA-SNVBAGLBSA-N 0 0 199.257 2.085 10 30 AEEERN C=CC(Cl)(Cl)[C@H](O)/C=C\C 223952463 573122794 /nfs/dbraw/zinc/12/27/94/573122794.db2.gz DQBZMODKOIBWQH-CWVDAHFDSA-N 0 0 181.062 2.283 10 30 AEEERN C#CC[C@](C)(O)c1cccc(F)c1F 235716485 573123184 /nfs/dbraw/zinc/12/31/84/573123184.db2.gz IRYWGMHBPUYVLU-NSHDSACASA-N 0 0 196.196 2.196 10 30 AEEERN COc1ccc(F)c(C#N)c1C 257948689 573123279 /nfs/dbraw/zinc/12/32/79/573123279.db2.gz FHWSFBUUDWYKLT-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN C=C1CCCC[C@H]1NC(=O)OCC 238280585 573123352 /nfs/dbraw/zinc/12/33/52/573123352.db2.gz MJJLWNBACPPDLA-SECBINFHSA-N 0 0 183.251 2.231 10 30 AEEERN N#Cc1ccc2c(c1)SCCN2 259337656 573125431 /nfs/dbraw/zinc/12/54/31/573125431.db2.gz XWOOGGYZOSNJNO-UHFFFAOYSA-N 0 0 176.244 2.076 10 30 AEEERN C=CCCCC[C@@H](C)NC(=O)OC 308274362 573123483 /nfs/dbraw/zinc/12/34/83/573123483.db2.gz UTCGWIPPXVNZFD-SECBINFHSA-N 0 0 185.267 2.477 10 30 AEEERN CO[C@@H]1CCCC[C@@H]1CCC=O 114827907 573123721 /nfs/dbraw/zinc/12/37/21/573123721.db2.gz SYCGITOGQFHHHU-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCCC(=O)C1(OC)CCCC1 128760077 573123877 /nfs/dbraw/zinc/12/38/77/573123877.db2.gz HWVXBKKHFOHJCK-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN CO[C@H]1CCCC[C@@H]1CCC=O 114827909 573125390 /nfs/dbraw/zinc/12/53/90/573125390.db2.gz SYCGITOGQFHHHU-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCC[C@H](O)c1cc(F)ccc1N 131937941 573124110 /nfs/dbraw/zinc/12/41/10/573124110.db2.gz UQYUVHUFDAQPPP-NSHDSACASA-N 0 0 195.237 2.408 10 30 AEEERN C#CCCCC(=O)C1(OC)CCCC1 128761269 573124168 /nfs/dbraw/zinc/12/41/68/573124168.db2.gz GDRRLWIOZFGHBS-UHFFFAOYSA-N 0 0 194.274 2.318 10 30 AEEERN CC(=O)C(=O)CCC(C)C 258532539 573124183 /nfs/dbraw/zinc/12/41/83/573124183.db2.gz HKVUYICLQFRFKJ-YVMONPNESA-N 0 0 142.198 2.063 10 30 AEEERN C=CCC[C@H](C)Nc1cn[nH]c1 131944937 573124427 /nfs/dbraw/zinc/12/44/27/573124427.db2.gz OICWLGJIXYTQOJ-QMMMGPOBSA-N 0 0 165.240 2.176 10 30 AEEERN CCc1cc(O)cc(CC#N)c1 257950082 573124619 /nfs/dbraw/zinc/12/46/19/573124619.db2.gz FNEMTIIQOBBADB-UHFFFAOYSA-N 0 0 161.204 2.021 10 30 AEEERN C=CCC[C@@H](C)Nc1cn[nH]c1 131945133 573124764 /nfs/dbraw/zinc/12/47/64/573124764.db2.gz OICWLGJIXYTQOJ-MRVPVSSYSA-N 0 0 165.240 2.176 10 30 AEEERN O=CC[C@@H](CF)C1CCCC1 258530684 573124794 /nfs/dbraw/zinc/12/47/94/573124794.db2.gz NHQFOGMKBIDXBS-VIFPVBQESA-N 0 0 158.216 2.351 10 30 AEEERN Cc1ccc([C@H](C)CC=O)cc1O 257950126 573125446 /nfs/dbraw/zinc/12/54/46/573125446.db2.gz FOBWVADHXHVEDS-MRVPVSSYSA-N 0 0 178.231 2.393 10 30 AEEERN Cc1cccc2c1C[C@@H](CC=O)C2 257949188 573124956 /nfs/dbraw/zinc/12/49/56/573124956.db2.gz VWFLXFKWWTYVPT-JTQLQIEISA-N 0 0 174.243 2.299 10 30 AEEERN CC[C@H](C#N)c1nc(C)cs1 259335404 573125073 /nfs/dbraw/zinc/12/50/73/573125073.db2.gz SEVZXESYXWAOJD-SSDOTTSWSA-N 0 0 166.249 2.469 10 30 AEEERN CC(CC1CC1)=NNC[C@H]1C[C@@H]1C 308270010 573125091 /nfs/dbraw/zinc/12/50/91/573125091.db2.gz RMXYUGIPOSDBQC-GZMMTYOYSA-N 0 0 180.295 2.408 10 30 AEEERN C=CCC[C@@H](O)c1cc(F)ccc1N 131938143 573125110 /nfs/dbraw/zinc/12/51/10/573125110.db2.gz UQYUVHUFDAQPPP-LLVKDONJSA-N 0 0 195.237 2.408 10 30 AEEERN CC(CC1CC1)=NNC[C@@H]1C[C@@H]1C 308270012 573125206 /nfs/dbraw/zinc/12/52/06/573125206.db2.gz RMXYUGIPOSDBQC-KWQFWETISA-N 0 0 180.295 2.408 10 30 AEEERN CC(CC1CC1)=NNC[C@H]1C[C@H]1C 308270013 573125212 /nfs/dbraw/zinc/12/52/12/573125212.db2.gz RMXYUGIPOSDBQC-LDYMZIIASA-N 0 0 180.295 2.408 10 30 AEEERN CC(CC1CC1)=NNC[C@@H]1C[C@H]1C 308270011 573125332 /nfs/dbraw/zinc/12/53/32/573125332.db2.gz RMXYUGIPOSDBQC-KCJUWKMLSA-N 0 0 180.295 2.408 10 30 AEEERN C[C@@H](CC=O)c1cccc(N(C)C)c1 257949535 573125657 /nfs/dbraw/zinc/12/56/57/573125657.db2.gz ARYXQQPERDGHIS-JTQLQIEISA-N 0 0 191.274 2.445 10 30 AEEERN CCSC1=CCCCC1=O 238280722 573125687 /nfs/dbraw/zinc/12/56/87/573125687.db2.gz GIDMLVRHVULPOW-UHFFFAOYSA-N 0 0 156.250 2.376 10 30 AEEERN CCc1ccc2c(n1)c(C#N)cn2C 259335383 573125927 /nfs/dbraw/zinc/12/59/27/573125927.db2.gz LFTRWCRYYPGHSK-UHFFFAOYSA-N 0 0 185.230 2.007 10 30 AEEERN CC[C@@H](C#N)c1nc(C)cs1 259335407 573126067 /nfs/dbraw/zinc/12/60/67/573126067.db2.gz SEVZXESYXWAOJD-ZETCQYMHSA-N 0 0 166.249 2.469 10 30 AEEERN N#Cc1cc2c3c(cnc2o1)CCC3 259335614 573126091 /nfs/dbraw/zinc/12/60/91/573126091.db2.gz LINHLAKQMRVUCN-UHFFFAOYSA-N 0 0 184.198 2.188 10 30 AEEERN Cc1cc(F)cc(NCC#N)c1 85731022 573128258 /nfs/dbraw/zinc/12/82/58/573128258.db2.gz CEZCCTSZWWPRJZ-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN Cc1ccc([C@@H](C)CC=O)cc1O 257950130 573126256 /nfs/dbraw/zinc/12/62/56/573126256.db2.gz FOBWVADHXHVEDS-QMMMGPOBSA-N 0 0 178.231 2.393 10 30 AEEERN Cc1cc(F)cc(N[C@H](C)C#N)c1 85730301 573126436 /nfs/dbraw/zinc/12/64/36/573126436.db2.gz DJLCXUWANCWNRR-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN C#CC[C@@](C#N)(C(C)=O)c1ccccc1 308803748 573126547 /nfs/dbraw/zinc/12/65/47/573126547.db2.gz NFDSIZRGPDVJIR-CYBMUJFWSA-N 0 0 197.237 2.060 10 30 AEEERN Cc1cc(F)cc(NC(=O)CS)c1 85732823 573126599 /nfs/dbraw/zinc/12/65/99/573126599.db2.gz WDEVNAUFHMVEPZ-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN N#Cc1ccnn1C1CCCCC1 257950555 573126862 /nfs/dbraw/zinc/12/68/62/573126862.db2.gz WDZZLBXLLSRLJS-UHFFFAOYSA-N 0 0 175.235 2.260 10 30 AEEERN CC[C@@]12C=CC=CN1C(C)=CC2=O 238281709 573126925 /nfs/dbraw/zinc/12/69/25/573126925.db2.gz CMRZBEUXQNBETF-NSHDSACASA-N 0 0 175.231 2.007 10 30 AEEERN CC[C@H](C)[C@@H](C#N)n1ccnc1C 259601369 573127608 /nfs/dbraw/zinc/12/76/08/573127608.db2.gz GPRJEPHRKRHPIX-WCBMZHEXSA-N 0 0 177.251 2.302 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)C(C)(C)C 308272981 573127935 /nfs/dbraw/zinc/12/79/35/573127935.db2.gz TVHQMAWZJINAFZ-VIFPVBQESA-N 0 0 183.295 2.313 10 30 AEEERN Cc1cccc2c1C[C@H](CC=O)C2 257949189 573128065 /nfs/dbraw/zinc/12/80/65/573128065.db2.gz VWFLXFKWWTYVPT-SNVBAGLBSA-N 0 0 174.243 2.299 10 30 AEEERN CC(C)(C#N)C1(c2ccco2)COC1 258533552 573128203 /nfs/dbraw/zinc/12/82/03/573128203.db2.gz ITPXNVIJYYMASU-UHFFFAOYSA-N 0 0 191.230 2.097 10 30 AEEERN CCC[C@H]1C(O)=CC(=O)[C@@H]1C 238281511 573128225 /nfs/dbraw/zinc/12/82/25/573128225.db2.gz FNEUWIVATAEBHI-RNFRBKRXSA-N 0 0 154.209 2.063 10 30 AEEERN CCc1cnc(NCCCC#N)s1 308277057 573128610 /nfs/dbraw/zinc/12/86/10/573128610.db2.gz WFFUHSVOBMMWRX-UHFFFAOYSA-N 0 0 195.291 2.421 10 30 AEEERN Cc1ccc(CCC=O)c(O)c1C 257950231 573128792 /nfs/dbraw/zinc/12/87/92/573128792.db2.gz FPHVHIYKQXBCEU-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN C#CC[C@](C#N)(C(C)=O)c1ccccc1 308803752 573128800 /nfs/dbraw/zinc/12/88/00/573128800.db2.gz NFDSIZRGPDVJIR-ZDUSSCGKSA-N 0 0 197.237 2.060 10 30 AEEERN C#Cc1cc(CCC)ccc1O 238281805 573129093 /nfs/dbraw/zinc/12/90/93/573129093.db2.gz KJGCMKGBBHDJID-UHFFFAOYSA-N 0 0 160.216 2.326 10 30 AEEERN COc1ccc(O)c([C@@H](C)CC=O)c1 257949616 573129217 /nfs/dbraw/zinc/12/92/17/573129217.db2.gz ATTLLGWVPDGNSB-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN CC[C@@]12CCC(=O)C=C1CCC[C@@H]2O 238281906 573129330 /nfs/dbraw/zinc/12/93/30/573129330.db2.gz UNSMKBSCKSZYKZ-NWDGAFQWSA-N 0 0 194.274 2.217 10 30 AEEERN COc1cc(C)c(C#N)c(OC)c1C 257949583 573129416 /nfs/dbraw/zinc/12/94/16/573129416.db2.gz ATAURLCFHKMDSO-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN C[C@H](CC=O)c1cccc(N(C)C)c1 257949536 573129548 /nfs/dbraw/zinc/12/95/48/573129548.db2.gz ARYXQQPERDGHIS-SNVBAGLBSA-N 0 0 191.274 2.445 10 30 AEEERN COc1cc(C)c(C)c(C#N)c1OC 257949682 573129600 /nfs/dbraw/zinc/12/96/00/573129600.db2.gz AVYCDJPFJOAWRA-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN CC[C@@]12CCC(=O)C=C1CCC[C@H]2O 238281922 573129645 /nfs/dbraw/zinc/12/96/45/573129645.db2.gz UNSMKBSCKSZYKZ-VXGBXAGGSA-N 0 0 194.274 2.217 10 30 AEEERN C=C[C@@H]1[C@H](CC)[C@@H]1C(C)=O 238282966 573129655 /nfs/dbraw/zinc/12/96/55/573129655.db2.gz QNSJVJZTBFGHRR-HRDYMLBCSA-N 0 0 138.210 2.034 10 30 AEEERN CC(=NNC[C@@H]1C[C@@H]1C)C(F)(F)F 308273370 573129674 /nfs/dbraw/zinc/12/96/74/573129674.db2.gz TZBBJCHYCQTLFF-FSPLSTOPSA-N 0 0 194.200 2.170 10 30 AEEERN CC[C@H](C)[C@H](C#N)n1ccnc1C 259601371 573129855 /nfs/dbraw/zinc/12/98/55/573129855.db2.gz GPRJEPHRKRHPIX-WPRPVWTQSA-N 0 0 177.251 2.302 10 30 AEEERN CCc1ncc(C#N)c(C(C)(C)C)n1 238281919 573129876 /nfs/dbraw/zinc/12/98/76/573129876.db2.gz PIEUXKGWJXGYPF-UHFFFAOYSA-N 0 0 189.262 2.208 10 30 AEEERN CC[C@@H](O)/C=N/c1ccccc1 238283104 573130006 /nfs/dbraw/zinc/13/00/06/573130006.db2.gz UYTYQXVRUDSWBJ-MXBGMFSPSA-N 0 0 163.220 2.160 10 30 AEEERN CC(N=NC[C@H]1C[C@H]1C)C(F)(F)F 308273371 573130034 /nfs/dbraw/zinc/13/00/34/573130034.db2.gz TZBBJCHYCQTLFF-IYSWYEEDSA-N 0 0 194.200 2.170 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(=O)NC1(C)CC1 308272513 573130130 /nfs/dbraw/zinc/13/01/30/573130130.db2.gz SSYFMWFQPSTKEU-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN N#CC1([C@@H](N)c2ccccc2F)CC1 259340964 573130157 /nfs/dbraw/zinc/13/01/57/573130157.db2.gz JKBQDANGIZJBQJ-JTQLQIEISA-N 0 0 190.221 2.129 10 30 AEEERN C[C@H](NCC(C)(C)C#N)C(F)(F)F 308272528 573130404 /nfs/dbraw/zinc/13/04/04/573130404.db2.gz STYTYZBUQRBDFW-LURJTMIESA-N 0 0 194.200 2.077 10 30 AEEERN Cc1[nH]c2cc(C#N)ccc2c1C=O 257950522 573130417 /nfs/dbraw/zinc/13/04/17/573130417.db2.gz WDHZHTHOTJXNLZ-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN COc1ccc(O)c([C@H](C)CC=O)c1 257949615 573130439 /nfs/dbraw/zinc/13/04/39/573130439.db2.gz ATTLLGWVPDGNSB-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN C[C@@H](NCC(C)(C)C#N)C(F)(F)F 308272529 573130498 /nfs/dbraw/zinc/13/04/98/573130498.db2.gz STYTYZBUQRBDFW-ZCFIWIBFSA-N 0 0 194.200 2.077 10 30 AEEERN C#CCC(C)(C)C(=O)O[C@@H](C)C=C 308272248 573130519 /nfs/dbraw/zinc/13/05/19/573130519.db2.gz SOPXVTLHFBNHCX-VIFPVBQESA-N 0 0 180.247 2.154 10 30 AEEERN C=C[C@H]1NC(=O)N(C(C)(C)C)[C@H]1CC 238282928 573130537 /nfs/dbraw/zinc/13/05/37/573130537.db2.gz JANFQZHQDGXZKF-BDAKNGLRSA-N 0 0 196.294 2.143 10 30 AEEERN CC(N=NC[C@@H]1C[C@H]1C)C(F)(F)F 308273372 573130567 /nfs/dbraw/zinc/13/05/67/573130567.db2.gz TZBBJCHYCQTLFF-VDTYLAMSSA-N 0 0 194.200 2.170 10 30 AEEERN C[C@@H](C#N)n1cc(C2CCC2)cn1 402028019 573130579 /nfs/dbraw/zinc/13/05/79/573130579.db2.gz UMSXOPYEJLXCPZ-QMMMGPOBSA-N 0 0 175.235 2.235 10 30 AEEERN C#CCC(C)(C)C(=O)O[C@H](C)C=C 308272247 573130589 /nfs/dbraw/zinc/13/05/89/573130589.db2.gz SOPXVTLHFBNHCX-SECBINFHSA-N 0 0 180.247 2.154 10 30 AEEERN Cc1cc(F)cc(N[C@@H](C)C#N)c1 85730297 573130787 /nfs/dbraw/zinc/13/07/87/573130787.db2.gz DJLCXUWANCWNRR-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN CCC[C@H]1C(O)=CC(=O)[C@H]1C 238282714 573130869 /nfs/dbraw/zinc/13/08/69/573130869.db2.gz FNEUWIVATAEBHI-NKWVEPMBSA-N 0 0 154.209 2.063 10 30 AEEERN C[C@H](CN(C)CCC#N)C(F)(F)F 308277096 573130974 /nfs/dbraw/zinc/13/09/74/573130974.db2.gz VMIXAFWXXXBOOM-SSDOTTSWSA-N 0 0 194.200 2.030 10 30 AEEERN C[C@H](C#N)NC(=O)C[C@@H](C)C(C)(C)C 82618935 573132226 /nfs/dbraw/zinc/13/22/26/573132226.db2.gz JMMZMINEJCEHNC-RKDXNWHRSA-N 0 0 196.294 2.087 10 30 AEEERN C=C[C@@H](CC)C/C=C/CO 238281902 573131274 /nfs/dbraw/zinc/13/12/74/573131274.db2.gz MKMMEKULYRYXGK-CYNONHLPSA-N 0 0 140.226 2.137 10 30 AEEERN CC[C@@H]1C(C)=CC(=O)[C@@H]1C 238281446 573131291 /nfs/dbraw/zinc/13/12/91/573131291.db2.gz IKZRELFVAGWLNZ-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1nc2ccc(CCC=O)cc2o1 257951749 573131294 /nfs/dbraw/zinc/13/12/94/573131294.db2.gz BAHNFEJHCTVBTH-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN C[C@@H](CN(C)CCC#N)C(F)(F)F 308277097 573131422 /nfs/dbraw/zinc/13/14/22/573131422.db2.gz VMIXAFWXXXBOOM-ZETCQYMHSA-N 0 0 194.200 2.030 10 30 AEEERN Cn1ccnc1[C@@H](C#N)C1CCCC1 259339561 573131754 /nfs/dbraw/zinc/13/17/54/573131754.db2.gz YYYMTFGYMOUGCG-JTQLQIEISA-N 0 0 189.262 2.217 10 30 AEEERN C[C@@H](C#N)NCC1(C)CCCC1 82625374 573132235 /nfs/dbraw/zinc/13/22/35/573132235.db2.gz VWOYVPWHUDPSMY-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN C=CCCCC(F)(F)C=O 141956407 573132315 /nfs/dbraw/zinc/13/23/15/573132315.db2.gz DNFMUDVQTNBLHK-UHFFFAOYSA-N 0 0 148.152 2.177 10 30 AEEERN CC[C@@H](O)c1ccc(C#N)c(F)c1 238283781 573132347 /nfs/dbraw/zinc/13/23/47/573132347.db2.gz FLUJGBSFRCSPPL-SNVBAGLBSA-N 0 0 179.194 2.141 10 30 AEEERN O=CC[C@@H]1CCCc2ncccc21 114855780 573132434 /nfs/dbraw/zinc/13/24/34/573132434.db2.gz AMZZYKZLSNNLGX-VIFPVBQESA-N 0 0 175.231 2.091 10 30 AEEERN C[C@H](C#N)n1cc(C2CCC2)cn1 402028017 573132582 /nfs/dbraw/zinc/13/25/82/573132582.db2.gz UMSXOPYEJLXCPZ-MRVPVSSYSA-N 0 0 175.235 2.235 10 30 AEEERN C=CCCC(=O)N(C)C[C@H](C)C=C 308279169 573132700 /nfs/dbraw/zinc/13/27/00/573132700.db2.gz WKXGOTDPYOPHOX-SNVBAGLBSA-N 0 0 181.279 2.233 10 30 AEEERN Cc1nc2cc([C@@H]3C[C@@H]3C#N)ccc2[nH]1 259339611 573132731 /nfs/dbraw/zinc/13/27/31/573132731.db2.gz ZANHDWKKRCIOIZ-ZJUUUORDSA-N 0 0 197.241 2.498 10 30 AEEERN O=CCCc1cccc2scnc12 257951680 573132977 /nfs/dbraw/zinc/13/29/77/573132977.db2.gz AWFCSDNTORGSTO-UHFFFAOYSA-N 0 0 191.255 2.428 10 30 AEEERN Cc1ccc([C@H](C#N)c2cccnn2)o1 259339470 573133191 /nfs/dbraw/zinc/13/31/91/573133191.db2.gz YXNDMIQJGCWLKF-SECBINFHSA-N 0 0 199.213 2.034 10 30 AEEERN CC[C@H]1C(=O)C(C)=COC1(C)C 238283622 573133323 /nfs/dbraw/zinc/13/33/23/573133323.db2.gz OOURHTQKLWXAJF-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN Nc1cccc2oc(CS)cc12 257952656 573133473 /nfs/dbraw/zinc/13/34/73/573133473.db2.gz HCSAYSHBDABBHK-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN CCc1cccc(C#N)c1CC(C)=O 306546020 573133522 /nfs/dbraw/zinc/13/35/22/573133522.db2.gz BFVWSRXLMLXYGZ-UHFFFAOYSA-N 0 0 187.242 2.252 10 30 AEEERN Cn1ccnc1[C@H](C#N)C1CCCC1 259339562 573133549 /nfs/dbraw/zinc/13/35/49/573133549.db2.gz YYYMTFGYMOUGCG-SNVBAGLBSA-N 0 0 189.262 2.217 10 30 AEEERN Cc1nc(C#N)[nH]c1C1CCCC1 258480252 573133640 /nfs/dbraw/zinc/13/36/40/573133640.db2.gz BMUMEDITTHILDU-UHFFFAOYSA-N 0 0 175.235 2.247 10 30 AEEERN C=C(C)CN[C@@H](C)c1cc(C)on1 308278988 573133690 /nfs/dbraw/zinc/13/36/90/573133690.db2.gz WEQBRBBPPYVNIY-VIFPVBQESA-N 0 0 180.251 2.210 10 30 AEEERN C=C(C)CCC(=O)[C@H]1C[C@@H]1OCC 689922495 573133725 /nfs/dbraw/zinc/13/37/25/573133725.db2.gz QIZPFEBCYHSULU-KOLCDFICSA-N 0 0 182.263 2.337 10 30 AEEERN N#CC1([C@H](N)c2ccccc2F)CC1 259340969 573133772 /nfs/dbraw/zinc/13/37/72/573133772.db2.gz JKBQDANGIZJBQJ-SNVBAGLBSA-N 0 0 190.221 2.129 10 30 AEEERN C=CCC[C@@H](C)[NH2+][C@@H](C(=O)[O-])C(C)C 131984221 573133798 /nfs/dbraw/zinc/13/37/98/573133798.db2.gz DNUUFCFBRDEDJZ-NXEZZACHSA-N 0 0 199.294 2.040 10 30 AEEERN O=CC[C@@H]1CCc2cccc(F)c21 257951923 573133895 /nfs/dbraw/zinc/13/38/95/573133895.db2.gz WJHXAWIWZIPBQA-VIFPVBQESA-N 0 0 178.206 2.445 10 30 AEEERN C=C(C)CC(=O)N(C)c1nccs1 308273678 573133896 /nfs/dbraw/zinc/13/38/96/573133896.db2.gz UHRYLFRLGHNUML-UHFFFAOYSA-N 0 0 196.275 2.072 10 30 AEEERN Cn1ncc(C2CCCCC2)c1C#N 259338925 573133943 /nfs/dbraw/zinc/13/39/43/573133943.db2.gz FEGKSFXEQOWXFT-UHFFFAOYSA-N 0 0 189.262 2.339 10 30 AEEERN N#CC[C@@H]1Cc2ccsc2C1 259601444 573134020 /nfs/dbraw/zinc/13/40/20/573134020.db2.gz GRFBSAHYSSUVLD-SSDOTTSWSA-N 0 0 163.245 2.377 10 30 AEEERN C=CCC(=O)C[C@@H](O)CCCCC 308236606 573134023 /nfs/dbraw/zinc/13/40/23/573134023.db2.gz WGMBUTXCXISEBG-NSHDSACASA-N 0 0 184.279 2.463 10 30 AEEERN Cc1ccc([C@@H](C#N)c2cccnn2)o1 259339472 573134029 /nfs/dbraw/zinc/13/40/29/573134029.db2.gz YXNDMIQJGCWLKF-VIFPVBQESA-N 0 0 199.213 2.034 10 30 AEEERN CC(=NN[C@H](C)C(F)F)C1CCC1 308277566 573134252 /nfs/dbraw/zinc/13/42/52/573134252.db2.gz VSGBXFLXWCFEMW-SSDOTTSWSA-N 0 0 190.237 2.406 10 30 AEEERN Cc1ccc(N2CCC2)c(C#N)c1 306542489 573134283 /nfs/dbraw/zinc/13/42/83/573134283.db2.gz ZCLITFGGHMDCQY-UHFFFAOYSA-N 0 0 172.231 2.077 10 30 AEEERN Cc1nc2cc([C@H]3C[C@H]3C#N)ccc2[nH]1 259339610 573134342 /nfs/dbraw/zinc/13/43/42/573134342.db2.gz ZANHDWKKRCIOIZ-VHSXEESVSA-N 0 0 197.241 2.498 10 30 AEEERN CC(=O)CC(C)=Nc1ccccc1N 308278371 573134372 /nfs/dbraw/zinc/13/43/72/573134372.db2.gz UIUDCRNWVZQFAA-UHFFFAOYSA-N 0 0 190.246 2.340 10 30 AEEERN CCCC1(C2(C#N)CC2)COC1 258535667 573134471 /nfs/dbraw/zinc/13/44/71/573134471.db2.gz IWBGANRCAXRBRG-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN Cc1[nH]c(-c2cc[nH]c2)cc1C#N 259336521 573134524 /nfs/dbraw/zinc/13/45/24/573134524.db2.gz VBNFRJPTTRDWCB-UHFFFAOYSA-N 0 0 171.203 2.190 10 30 AEEERN CCc1c(C#N)ccc2cnoc12 238284590 573134551 /nfs/dbraw/zinc/13/45/51/573134551.db2.gz BNXZQMWQRNNENT-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C=C1C(=O)C=C(C)[C@@H]1CC 238283501 573134564 /nfs/dbraw/zinc/13/45/64/573134564.db2.gz AGRBPHZJVIJSNK-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C=C(C)CCC(=O)[C@@H]1C[C@H]1OCC 689922493 573134566 /nfs/dbraw/zinc/13/45/66/573134566.db2.gz QIZPFEBCYHSULU-GXSJLCMTSA-N 0 0 182.263 2.337 10 30 AEEERN C#CC(=C)N(C)C(=O)OC(C)(C)C 238283877 573134568 /nfs/dbraw/zinc/13/45/68/573134568.db2.gz GHUCRIUFGFAMOM-UHFFFAOYSA-N 0 0 181.235 2.000 10 30 AEEERN C=C(C)CN[C@H](C)c1cc(C)on1 308278987 573134754 /nfs/dbraw/zinc/13/47/54/573134754.db2.gz WEQBRBBPPYVNIY-SECBINFHSA-N 0 0 180.251 2.210 10 30 AEEERN C#C[C@@H](C)OC(=O)CCC(C)(C)C 308260098 573134778 /nfs/dbraw/zinc/13/47/78/573134778.db2.gz MXZUFJOXQSGVGC-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN C[NH2+]C[C@H](C#N)c1ccc(C)cc1C 258480358 573135461 /nfs/dbraw/zinc/13/54/61/573135461.db2.gz BKZJLCABANUSBI-NSHDSACASA-N 0 0 188.274 2.130 10 30 AEEERN N#Cc1n[nH]cc1-c1ccccc1F 259338581 573135619 /nfs/dbraw/zinc/13/56/19/573135619.db2.gz FAWNJDCGTHSCIT-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN O=CC[C@H]1CCc2cccc(F)c21 257951921 573135703 /nfs/dbraw/zinc/13/57/03/573135703.db2.gz WJHXAWIWZIPBQA-SECBINFHSA-N 0 0 178.206 2.445 10 30 AEEERN C=C(C)C[C@@H](O)C1(OC)CCCC1 128796237 573135707 /nfs/dbraw/zinc/13/57/07/573135707.db2.gz IDKPTINGKVJXSM-SNVBAGLBSA-N 0 0 184.279 2.273 10 30 AEEERN Cc1nc2cc([C@@H]3C[C@H]3C#N)ccc2[nH]1 259339609 573135746 /nfs/dbraw/zinc/13/57/46/573135746.db2.gz ZANHDWKKRCIOIZ-UWVGGRQHSA-N 0 0 197.241 2.498 10 30 AEEERN O=CC1(C[C@H]2CC[C@H](C3CC3)O2)CC1 715491438 573135763 /nfs/dbraw/zinc/13/57/63/573135763.db2.gz BGMSJTMXAFCWMM-GHMZBOCLSA-N 0 0 194.274 2.313 10 30 AEEERN CCc1ccc2oc(C#N)nc2c1 306547993 573135798 /nfs/dbraw/zinc/13/57/98/573135798.db2.gz BEFRFHVOJCQXAE-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C#C[C@@]1(Cl)C[C@H]1CC 238284088 573135814 /nfs/dbraw/zinc/13/58/14/573135814.db2.gz BFBPIZUHPQKIFI-RNFRBKRXSA-N 0 0 128.602 2.027 10 30 AEEERN O=CC[C@H]1CCCc2ncccc21 114855783 573135908 /nfs/dbraw/zinc/13/59/08/573135908.db2.gz AMZZYKZLSNNLGX-SECBINFHSA-N 0 0 175.231 2.091 10 30 AEEERN CCc1ccc(CC(C)=O)c(C#N)c1 306855739 573136024 /nfs/dbraw/zinc/13/60/24/573136024.db2.gz WVISWUPGLVXWSA-UHFFFAOYSA-N 0 0 187.242 2.252 10 30 AEEERN CC[C@H](C)[C@@H](O)C1=CCCCC1=O 238299078 573136326 /nfs/dbraw/zinc/13/63/26/573136326.db2.gz OIDWFPGAEZYASG-GZMMTYOYSA-N 0 0 182.263 2.073 10 30 AEEERN C=C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 104660160 573136437 /nfs/dbraw/zinc/13/64/37/573136437.db2.gz OIIQJQKJWSFFJH-MRVPVSSYSA-N 0 0 182.654 2.229 10 30 AEEERN CC[C@H]1C(=O)C=CC1(C)C 238283733 573136544 /nfs/dbraw/zinc/13/65/44/573136544.db2.gz AFCDATLZBZXPMI-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN N#CC[C@H]1Cc2ccsc2C1 259601447 573136525 /nfs/dbraw/zinc/13/65/25/573136525.db2.gz GRFBSAHYSSUVLD-ZETCQYMHSA-N 0 0 163.245 2.377 10 30 AEEERN CN[C@@H](CC#N)c1sccc1C 259341278 573136655 /nfs/dbraw/zinc/13/66/55/573136655.db2.gz KJALZOBRZLXPJC-QMMMGPOBSA-N 0 0 180.276 2.231 10 30 AEEERN C=C(C)CCC(=O)[C@@H]1C[C@@H]1OCC 689922516 573136841 /nfs/dbraw/zinc/13/68/41/573136841.db2.gz QIZPFEBCYHSULU-ONGXEEELSA-N 0 0 182.263 2.337 10 30 AEEERN C[NH2+]C[C@@H](C#N)c1ccc(C)cc1C 258480355 573136923 /nfs/dbraw/zinc/13/69/23/573136923.db2.gz BKZJLCABANUSBI-LLVKDONJSA-N 0 0 188.274 2.130 10 30 AEEERN C=C(C)CCC(=O)[C@H]1C[C@H]1OCC 689922497 573137020 /nfs/dbraw/zinc/13/70/20/573137020.db2.gz QIZPFEBCYHSULU-MWLCHTKSSA-N 0 0 182.263 2.337 10 30 AEEERN N#Cc1c(N)c(F)cc2ccsc12 306854460 573137193 /nfs/dbraw/zinc/13/71/93/573137193.db2.gz VKOYMVZWFDJICI-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=C(C)C[C@H](O)C1(OC)CCCC1 128796020 573137195 /nfs/dbraw/zinc/13/71/95/573137195.db2.gz IDKPTINGKVJXSM-JTQLQIEISA-N 0 0 184.279 2.273 10 30 AEEERN C=CCC[C@H](C)[NH2+][C@@H](C(=O)[O-])C(C)C 131983792 573137457 /nfs/dbraw/zinc/13/74/57/573137457.db2.gz DNUUFCFBRDEDJZ-VHSXEESVSA-N 0 0 199.294 2.040 10 30 AEEERN C=C(C)[C@H](NCC)c1coc(C)n1 308200238 573138061 /nfs/dbraw/zinc/13/80/61/573138061.db2.gz UNUAVMJGWADHGU-JTQLQIEISA-N 0 0 180.251 2.210 10 30 AEEERN N#CC1(C2(C3CCCC3)COC2)CC1 258535751 573138095 /nfs/dbraw/zinc/13/80/95/573138095.db2.gz IZWGXEAMFRRDLU-UHFFFAOYSA-N 0 0 191.274 2.497 10 30 AEEERN CC(C)c1nc(C#N)c2n1CCCC2 259344592 573138246 /nfs/dbraw/zinc/13/82/46/573138246.db2.gz ZHQNMGKUAQFBJV-UHFFFAOYSA-N 0 0 189.262 2.214 10 30 AEEERN C#CCCC[C@@H](O)C1(OC)CCCC1 128810900 573138278 /nfs/dbraw/zinc/13/82/78/573138278.db2.gz HLBJUHNFPFJNQA-LLVKDONJSA-N 0 0 196.290 2.110 10 30 AEEERN CCc1cn2cc(CC#N)sc2n1 238299325 573139128 /nfs/dbraw/zinc/13/91/28/573139128.db2.gz ZDRXVYUZMVXHBP-UHFFFAOYSA-N 0 0 191.259 2.024 10 30 AEEERN CCc1c(C(=O)CC#N)[nH]c(C)c1C 238289269 573139171 /nfs/dbraw/zinc/13/91/71/573139171.db2.gz FQJAMSZFFIDWHM-UHFFFAOYSA-N 0 0 190.246 2.290 10 30 AEEERN N#C[C@H]1C[C@@H]1c1ccc2ncoc2c1 259342406 573139344 /nfs/dbraw/zinc/13/93/44/573139344.db2.gz ZDPOLROMEJGYGA-RKDXNWHRSA-N 0 0 184.198 2.455 10 30 AEEERN Cc1cc(CC#N)c(C)cc1O 114909861 573139263 /nfs/dbraw/zinc/13/92/63/573139263.db2.gz WIACAMZSZVKRLO-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN C[C@@H]1C=CC[C@@H](C=O)[C@@H]1C 141962982 573139511 /nfs/dbraw/zinc/13/95/11/573139511.db2.gz GDZITIPRDGJYPH-HLTSFMKQSA-N 0 0 138.210 2.034 10 30 AEEERN N#C[C@H]1C[C@H]1c1ccc2ncoc2c1 259342397 573139693 /nfs/dbraw/zinc/13/96/93/573139693.db2.gz ZDPOLROMEJGYGA-BDAKNGLRSA-N 0 0 184.198 2.455 10 30 AEEERN C[C@@H](F)[C@H](C=O)c1ccccc1 258550129 573139746 /nfs/dbraw/zinc/13/97/46/573139746.db2.gz PGKZCJIJIUEDFA-SCZZXKLOSA-N 0 0 166.195 2.327 10 30 AEEERN C=C[C@@H](C)[C@H](O)[C@@H](C)CC 238299437 573139775 /nfs/dbraw/zinc/13/97/75/573139775.db2.gz MVTVDAPLCOTIFV-VGMNWLOBSA-N 0 0 142.242 2.216 10 30 AEEERN COc1cc(C)c(C)c(CC#N)c1O 257956032 573139795 /nfs/dbraw/zinc/13/97/95/573139795.db2.gz BKPCUNFDAXVJJV-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN Cc1c(O)ccc(CC#N)c1C 114918685 573139849 /nfs/dbraw/zinc/13/98/49/573139849.db2.gz ZONYHDJJTKXZPC-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN O=CCCn1ccc2cc(F)ccc21 82643985 573139896 /nfs/dbraw/zinc/13/98/96/573139896.db2.gz VZCNVIWFPQGALV-UHFFFAOYSA-N 0 0 191.205 2.369 10 30 AEEERN CCS[C@@H]1C=CCC[C@H]1C=O 238289294 573140162 /nfs/dbraw/zinc/14/01/62/573140162.db2.gz HQPMRBYOGZOWDU-DTWKUNHWSA-N 0 0 170.277 2.273 10 30 AEEERN CCc1nc(CCC#N)sc1C 259344869 573140217 /nfs/dbraw/zinc/14/02/17/573140217.db2.gz TXDTZMUYLUZTGL-UHFFFAOYSA-N 0 0 180.276 2.470 10 30 AEEERN C=C1C(=O)C=C(C)[C@H]1CC 238299441 573140359 /nfs/dbraw/zinc/14/03/59/573140359.db2.gz ZMEYDOORDDYDEK-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN O=CCC1CCC(F)(F)CC1 114927693 573140401 /nfs/dbraw/zinc/14/04/01/573140401.db2.gz MTHWYKRAEGEWAH-UHFFFAOYSA-N 0 0 162.179 2.401 10 30 AEEERN CC[C@@H](C#N)c1cc[nH]c1 259342387 573140531 /nfs/dbraw/zinc/14/05/31/573140531.db2.gz ZDKVQAAQAFGKOW-ZETCQYMHSA-N 0 0 134.182 2.032 10 30 AEEERN C=CCCOc1cc(C)nc(C#N)c1 308281427 573140579 /nfs/dbraw/zinc/14/05/79/573140579.db2.gz VNPGBGGZYBNXSI-UHFFFAOYSA-N 0 0 188.230 2.217 10 30 AEEERN C=CCC(=O)[C@@H](C=C)CC 238289848 573140662 /nfs/dbraw/zinc/14/06/62/573140662.db2.gz WOPNRWLDXATJFX-QMMMGPOBSA-N 0 0 138.210 2.344 10 30 AEEERN Cc1ccc(C(=O)CC#N)c(Cl)n1 114903231 573140823 /nfs/dbraw/zinc/14/08/23/573140823.db2.gz SLQYLBBLGZCEIA-UHFFFAOYSA-N 0 0 194.621 2.140 10 30 AEEERN CCS[C@@H]1CCCC[C@H]1C=O 238289498 573140838 /nfs/dbraw/zinc/14/08/38/573140838.db2.gz AGHOBDRUPQKFFO-DTWKUNHWSA-N 0 0 172.293 2.497 10 30 AEEERN C[C@H](CS)CSc1ncco1 235482360 573140852 /nfs/dbraw/zinc/14/08/52/573140852.db2.gz BFPQCAJRLXRBHN-ZCFIWIBFSA-N 0 0 189.305 2.333 10 30 AEEERN C[C@@H]1C=CC[C@H](C=O)[C@@H]1C 141963364 573141056 /nfs/dbraw/zinc/14/10/56/573141056.db2.gz GDZITIPRDGJYPH-IWSPIJDZSA-N 0 0 138.210 2.034 10 30 AEEERN CC[C@H](C#N)c1cc[nH]c1 259342385 573141121 /nfs/dbraw/zinc/14/11/21/573141121.db2.gz ZDKVQAAQAFGKOW-SSDOTTSWSA-N 0 0 134.182 2.032 10 30 AEEERN CCS[C@@H]1C=CCC[C@@H]1C=O 238289285 573141242 /nfs/dbraw/zinc/14/12/42/573141242.db2.gz HQPMRBYOGZOWDU-RKDXNWHRSA-N 0 0 170.277 2.273 10 30 AEEERN CCS[C@@H]1CCCC[C@@H]1C=O 238289481 573141292 /nfs/dbraw/zinc/14/12/92/573141292.db2.gz AGHOBDRUPQKFFO-RKDXNWHRSA-N 0 0 172.293 2.497 10 30 AEEERN CCc1ccc([S-])cc1C#N 238289542 573141410 /nfs/dbraw/zinc/14/14/10/573141410.db2.gz RJXXXPVLWVNLPJ-UHFFFAOYSA-N 0 0 163.245 2.409 10 30 AEEERN CC(C)C[C@@H](C=O)[C@H](C)F 258545911 573141424 /nfs/dbraw/zinc/14/14/24/573141424.db2.gz PAOXSXZJYCORNT-YUMQZZPRSA-N 0 0 146.205 2.206 10 30 AEEERN Cc1nc(-c2ccc[nH]2)c(C#N)s1 259342068 573142424 /nfs/dbraw/zinc/14/24/24/573142424.db2.gz SYQNUQZJXJQZMC-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C=C[C@@H](CC)C(=O)CC 238289836 573141518 /nfs/dbraw/zinc/14/15/18/573141518.db2.gz XGALHYVZNVDOSQ-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN N#C[C@@H]1C[C@H]1c1ccc2ncoc2c1 259342403 573142429 /nfs/dbraw/zinc/14/24/29/573142429.db2.gz ZDPOLROMEJGYGA-IUCAKERBSA-N 0 0 184.198 2.455 10 30 AEEERN CCc1c(C)c[nH]c2nc(C#N)cc1-2 259338274 573141574 /nfs/dbraw/zinc/14/15/74/573141574.db2.gz LMFKHELZFXFQLK-UHFFFAOYSA-N 0 0 185.230 2.305 10 30 AEEERN Cc1coc(SC[C@@H](C)C#N)n1 235491238 573141883 /nfs/dbraw/zinc/14/18/83/573141883.db2.gz RPZHUMZFUJQLNH-LURJTMIESA-N 0 0 182.248 2.235 10 30 AEEERN CC(C)C[C@@H](C=O)[C@@H](C)F 258545906 573142084 /nfs/dbraw/zinc/14/20/84/573142084.db2.gz PAOXSXZJYCORNT-SFYZADRCSA-N 0 0 146.205 2.206 10 30 AEEERN CC(C)C[C@H](C=O)[C@@H](C)F 258545894 573142280 /nfs/dbraw/zinc/14/22/80/573142280.db2.gz PAOXSXZJYCORNT-HTQZYQBOSA-N 0 0 146.205 2.206 10 30 AEEERN CC#CCC[C@@](C)(O)C[C@@H]1CCCO1 689793608 573142294 /nfs/dbraw/zinc/14/22/94/573142294.db2.gz ITEXRICUMJUUHZ-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN N#C[C@@H]1C[C@@H]1c1ccc2ncoc2c1 259342400 573142353 /nfs/dbraw/zinc/14/23/53/573142353.db2.gz ZDPOLROMEJGYGA-DTWKUNHWSA-N 0 0 184.198 2.455 10 30 AEEERN C[C@H](F)[C@H](C=O)c1ccccc1 258550133 573142504 /nfs/dbraw/zinc/14/25/04/573142504.db2.gz PGKZCJIJIUEDFA-WPRPVWTQSA-N 0 0 166.195 2.327 10 30 AEEERN C=C1C[C@@H](O)C2(CCCCC2)[C@@H]1OC 197006054 573142563 /nfs/dbraw/zinc/14/25/63/573142563.db2.gz ZYFVCUMUKCATIW-GHMZBOCLSA-N 0 0 196.290 2.273 10 30 AEEERN C=C1CC2(CCCCC2)[C@H](O)[C@@H]1OC 197006120 573142572 /nfs/dbraw/zinc/14/25/72/573142572.db2.gz USJHJCRGMQELSG-GHMZBOCLSA-N 0 0 196.290 2.273 10 30 AEEERN C=CCN(CC)C(=O)C1(C)CCC1 308213152 573142586 /nfs/dbraw/zinc/14/25/86/573142586.db2.gz HMZZZNPPCFBACE-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C1CC2(CCCCC2)[C@@H](O)[C@@H]1OC 197006096 573142902 /nfs/dbraw/zinc/14/29/02/573142902.db2.gz USJHJCRGMQELSG-MNOVXSKESA-N 0 0 196.290 2.273 10 30 AEEERN CC#CCC[C@@](C)(O)C[C@H]1CCCO1 689793614 573143087 /nfs/dbraw/zinc/14/30/87/573143087.db2.gz ITEXRICUMJUUHZ-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN CCS[C@H](CC)CC=O 238290817 573143364 /nfs/dbraw/zinc/14/33/64/573143364.db2.gz XMGFLARXAXFXQC-SSDOTTSWSA-N 0 0 146.255 2.107 10 30 AEEERN O=C(c1coc2ccccc12)[C@@H]1CO1 259343539 573143533 /nfs/dbraw/zinc/14/35/33/573143533.db2.gz VMFAAYHCYYMWOS-JTQLQIEISA-N 0 0 188.182 2.014 10 30 AEEERN CC(=O)C(=O)Cc1cccc(C)c1 258546542 573143732 /nfs/dbraw/zinc/14/37/32/573143732.db2.gz IUEBAGPDAMZKFJ-XFFZJAGNSA-N 0 0 176.215 2.483 10 30 AEEERN CCS[C@H](CC)[C@@H](C)C=O 238290839 573143839 /nfs/dbraw/zinc/14/38/39/573143839.db2.gz YMLHLRXKFMNRAP-JGVFFNPUSA-N 0 0 160.282 2.353 10 30 AEEERN CC[C@H](C=O)C1SCCCS1 238290808 573143861 /nfs/dbraw/zinc/14/38/61/573143861.db2.gz KCJFQTDPSBUBFJ-SSDOTTSWSA-N 0 0 190.333 2.408 10 30 AEEERN C=C1CC2(CCCCC2)[C@@H](O)[C@H]1OC 197006081 573143888 /nfs/dbraw/zinc/14/38/88/573143888.db2.gz USJHJCRGMQELSG-QWRGUYRKSA-N 0 0 196.290 2.273 10 30 AEEERN CCOc1ccc2c(C#N)c[nH]c2c1 114963435 573144044 /nfs/dbraw/zinc/14/40/44/573144044.db2.gz OOTUKIKCIDVDLO-UHFFFAOYSA-N 0 0 186.214 2.438 10 30 AEEERN CC#CCC[C@](C)(O)C[C@H]1CCCO1 689793603 573144113 /nfs/dbraw/zinc/14/41/13/573144113.db2.gz ITEXRICUMJUUHZ-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN C[C@H](CS)CSc1ncc[nH]1 235482327 573144117 /nfs/dbraw/zinc/14/41/17/573144117.db2.gz MJGMHCAUNIKENX-ZCFIWIBFSA-N 0 0 188.321 2.068 10 30 AEEERN Cc1cc([C@@H](N)CC#N)sc1C 104663601 573144162 /nfs/dbraw/zinc/14/41/62/573144162.db2.gz AJQBCMNDKCQXAX-QMMMGPOBSA-N 0 0 180.276 2.278 10 30 AEEERN C[C@H](F)[C@@H](C=O)c1ccccc1 258550131 573144444 /nfs/dbraw/zinc/14/44/44/573144444.db2.gz PGKZCJIJIUEDFA-WCBMZHEXSA-N 0 0 166.195 2.327 10 30 AEEERN C=C1C[C@@H](O)C2(CCCCC2)[C@H]1OC 197006064 573144691 /nfs/dbraw/zinc/14/46/91/573144691.db2.gz ZYFVCUMUKCATIW-MNOVXSKESA-N 0 0 196.290 2.273 10 30 AEEERN C#CCCCN(CCC(C)C)OC 308503408 573144874 /nfs/dbraw/zinc/14/48/74/573144874.db2.gz XZMVYYLOISXASY-UHFFFAOYSA-N 0 0 183.295 2.309 10 30 AEEERN C=C1C[C@H](O)C2(CCCCC2)[C@H]1OC 197006045 573144980 /nfs/dbraw/zinc/14/49/80/573144980.db2.gz ZYFVCUMUKCATIW-QWRGUYRKSA-N 0 0 196.290 2.273 10 30 AEEERN CCc1nnc(N=[N+]=[N-])s1 238290097 573145288 /nfs/dbraw/zinc/14/52/88/573145288.db2.gz UBAMNXJCCNSFER-UHFFFAOYSA-N 0 0 155.186 2.042 10 30 AEEERN CC[C@H](C=O)C=C(C)C 238290860 573145308 /nfs/dbraw/zinc/14/53/08/573145308.db2.gz SXIBXMYMYAPCKI-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN CCC1=CC(=O)[C@@H](C)[C@H](CC)O1 238290535 573145315 /nfs/dbraw/zinc/14/53/15/573145315.db2.gz IXSKYIGTJIUVLV-XCBNKYQSSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@](O)(CC=O)C1=CCCCCC1 235721343 573145398 /nfs/dbraw/zinc/14/53/98/573145398.db2.gz AHJFZYUXNIIEJM-NSHDSACASA-N 0 0 182.263 2.217 10 30 AEEERN C=C1C[C@H](O)C2(CCCCC2)[C@@H]1OC 197006031 573145463 /nfs/dbraw/zinc/14/54/63/573145463.db2.gz ZYFVCUMUKCATIW-WDEREUQCSA-N 0 0 196.290 2.273 10 30 AEEERN CCC1=CC(=O)[C@H](C)[C@H](CC)O1 238290526 573145548 /nfs/dbraw/zinc/14/55/48/573145548.db2.gz IXSKYIGTJIUVLV-XVKPBYJWSA-N 0 0 168.236 2.294 10 30 AEEERN O=CCn1ccc2cc(Cl)ccc21 82647602 573145992 /nfs/dbraw/zinc/14/59/92/573145992.db2.gz PQJVREOCNOEKHJ-UHFFFAOYSA-N 0 0 193.633 2.494 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](C)C(F)(F)F 308252482 573145755 /nfs/dbraw/zinc/14/57/55/573145755.db2.gz IJXVVTGCXWJSJV-WDSKDSINSA-N 0 0 196.168 2.303 10 30 AEEERN C=C[C@@H](CC)n1cccn1 238290703 573145890 /nfs/dbraw/zinc/14/58/90/573145890.db2.gz WVMFFMAOMAXGMJ-QMMMGPOBSA-N 0 0 136.198 2.020 10 30 AEEERN CCO[C@](C)(CC=O)CC1CC1 258552540 573146059 /nfs/dbraw/zinc/14/60/59/573146059.db2.gz PMYKBGFPCWFWMO-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@@H]1OC(C)(C)C(C)=CC1=O 238290286 573146069 /nfs/dbraw/zinc/14/60/69/573146069.db2.gz SHUWIGTWBAIPSC-VIFPVBQESA-N 0 0 168.236 2.089 10 30 AEEERN CCc1c(C)cc(CC#N)nc1C 238290407 573146588 /nfs/dbraw/zinc/14/65/88/573146588.db2.gz CQBTYONMJJABBP-UHFFFAOYSA-N 0 0 174.247 2.327 10 30 AEEERN C=C1CC2(CCCCC2)[C@H](O)[C@H]1OC 197006106 573146113 /nfs/dbraw/zinc/14/61/13/573146113.db2.gz USJHJCRGMQELSG-WDEREUQCSA-N 0 0 196.290 2.273 10 30 AEEERN CON=C(CCOC(C)C)C(C)C 308503021 573146138 /nfs/dbraw/zinc/14/61/38/573146138.db2.gz XVULHOUIQHWZOY-UHFFFAOYSA-N 0 0 187.283 2.460 10 30 AEEERN CC#CCC[C@](C)(O)C[C@@H]1CCCO1 689793612 573146197 /nfs/dbraw/zinc/14/61/97/573146197.db2.gz ITEXRICUMJUUHZ-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN C[C@@](C#N)(CC=O)c1ccccc1 114976827 573146232 /nfs/dbraw/zinc/14/62/32/573146232.db2.gz GKRMCSRSLBLQTJ-NSHDSACASA-N 0 0 173.215 2.057 10 30 AEEERN C#CCN(CC(=C)C)c1nccs1 308261879 573147201 /nfs/dbraw/zinc/14/72/01/573147201.db2.gz MZDHRABSSBDAGC-UHFFFAOYSA-N 0 0 192.287 2.159 10 30 AEEERN C=C1CC[C@H]2CCC(=O)C[C@H]12 223909477 573147202 /nfs/dbraw/zinc/14/72/02/573147202.db2.gz RHNUSCQNNQTOOD-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=C1CC[C@@H]2CCC(=O)C[C@@H]12 223909595 573147238 /nfs/dbraw/zinc/14/72/38/573147238.db2.gz RHNUSCQNNQTOOD-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C=C1CC[C@@H]2CCC(=O)C[C@H]12 223909542 573147270 /nfs/dbraw/zinc/14/72/70/573147270.db2.gz RHNUSCQNNQTOOD-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN CCS[C@H](CC)[C@H](C)C=O 238290852 573147494 /nfs/dbraw/zinc/14/74/94/573147494.db2.gz YMLHLRXKFMNRAP-HTQZYQBOSA-N 0 0 160.282 2.353 10 30 AEEERN C=CCn1cnnc1S[C@@H](C)C=C 308288766 573147721 /nfs/dbraw/zinc/14/77/21/573147721.db2.gz FTRPURPPKNHJCX-QMMMGPOBSA-N 0 0 195.291 2.131 10 30 AEEERN C=C[C@@H](CC)C(C)(C)C=O 238289943 573147735 /nfs/dbraw/zinc/14/77/35/573147735.db2.gz ARRFZOQAQKUSBP-QMMMGPOBSA-N 0 0 140.226 2.424 10 30 AEEERN CC(C)CCOC(=O)N(C)CCC#N 258540561 573147811 /nfs/dbraw/zinc/14/78/11/573147811.db2.gz IBJRBAWACZWSDV-UHFFFAOYSA-N 0 0 198.266 2.015 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N1CCSC1 308288751 573147823 /nfs/dbraw/zinc/14/78/23/573147823.db2.gz FSYXUFKJACJUCU-JTQLQIEISA-N 0 0 199.319 2.122 10 30 AEEERN CC[C@H](C=O)C1SCCS1 238290824 573147829 /nfs/dbraw/zinc/14/78/29/573147829.db2.gz JKAHGFMAPOWFCH-ZCFIWIBFSA-N 0 0 176.306 2.018 10 30 AEEERN CCCCCC(C)(C)NC(=O)CC#N 258538612 573148489 /nfs/dbraw/zinc/14/84/89/573148489.db2.gz HXNYLHZFWBCYAH-UHFFFAOYSA-N 0 0 196.294 2.375 10 30 AEEERN C=C[C@H](C)[C@H](C)C(=O)NC1(C)CC1 308272512 573148780 /nfs/dbraw/zinc/14/87/80/573148780.db2.gz SSYFMWFQPSTKEU-IUCAKERBSA-N 0 0 181.279 2.113 10 30 AEEERN C[C@](C#N)(CC=O)c1ccccc1 114976825 573148801 /nfs/dbraw/zinc/14/88/01/573148801.db2.gz GKRMCSRSLBLQTJ-LLVKDONJSA-N 0 0 173.215 2.057 10 30 AEEERN C=CCN(C(=O)OC)C1CCCC1 308287784 573148882 /nfs/dbraw/zinc/14/88/82/573148882.db2.gz CTBRLLHSROVEDW-UHFFFAOYSA-N 0 0 183.251 2.183 10 30 AEEERN O=C(c1coc2ccccc12)[C@H]1CO1 259343541 573149052 /nfs/dbraw/zinc/14/90/52/573149052.db2.gz VMFAAYHCYYMWOS-SNVBAGLBSA-N 0 0 188.182 2.014 10 30 AEEERN C=CCNc1cccc(OCC#N)c1 308504633 573149124 /nfs/dbraw/zinc/14/91/24/573149124.db2.gz IDDMLOBSGYGDNZ-UHFFFAOYSA-N 0 0 188.230 2.187 10 30 AEEERN CCS[C@H]1CCCC[C@H]1C=O 238291676 573149127 /nfs/dbraw/zinc/14/91/27/573149127.db2.gz AGHOBDRUPQKFFO-IUCAKERBSA-N 0 0 172.293 2.497 10 30 AEEERN C=CCOc1ccc(OC)c(F)c1 308504964 573149134 /nfs/dbraw/zinc/14/91/34/573149134.db2.gz YUMITDSIKXSHSH-UHFFFAOYSA-N 0 0 182.194 2.399 10 30 AEEERN C=CCCCNC(=O)[C@@H]1CC1(C)C 308288789 573149220 /nfs/dbraw/zinc/14/92/20/573149220.db2.gz FVCPHIHLKXIIPA-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN C=C[C@H](OC(=O)[C@H]1C[C@H]1C)C1CC1 308287392 573149253 /nfs/dbraw/zinc/14/92/53/573149253.db2.gz ZRAAQDBDGBAAKW-JEZHCXPESA-N 0 0 180.247 2.150 10 30 AEEERN CCCCCn1cc(C#N)c(C)n1 308287733 573149257 /nfs/dbraw/zinc/14/92/57/573149257.db2.gz CQOZMIKYWJVKIQ-UHFFFAOYSA-N 0 0 177.251 2.253 10 30 AEEERN C=C[C@H](OC(=O)[C@H]1C[C@@H]1C)C1CC1 308287391 573149274 /nfs/dbraw/zinc/14/92/74/573149274.db2.gz ZRAAQDBDGBAAKW-HGNGGELXSA-N 0 0 180.247 2.150 10 30 AEEERN CC#C[C@H](O)c1ccc(CC)s1 238292029 573149509 /nfs/dbraw/zinc/14/95/09/573149509.db2.gz OJXOWKLRJWLBJF-VIFPVBQESA-N 0 0 180.272 2.367 10 30 AEEERN C=CCc1noc([C@H](C)C2CC2)n1 308287818 573149612 /nfs/dbraw/zinc/14/96/12/573149612.db2.gz ZVODTUSLQHKXLX-SSDOTTSWSA-N 0 0 178.235 2.312 10 30 AEEERN CC[C@H](C#N)c1nc(C)c(C)[nH]1 258551823 573149673 /nfs/dbraw/zinc/14/96/73/573149673.db2.gz KUOWRSOYPXYMBH-MRVPVSSYSA-N 0 0 163.224 2.044 10 30 AEEERN CCO[C@H]1C(C)=CCC[C@]1(C)C=O 238292586 573149748 /nfs/dbraw/zinc/14/97/48/573149748.db2.gz ISZHMJQSFHZFLN-WDEREUQCSA-N 0 0 182.263 2.337 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C(=C/C)CC 308288409 573149941 /nfs/dbraw/zinc/14/99/41/573149941.db2.gz FLWUREJEGSIUMO-ZFZMKPAXSA-N 0 0 180.247 2.298 10 30 AEEERN CC[C@H](c1ccccc1C#N)[C@@H](C)O 238292327 573149974 /nfs/dbraw/zinc/14/99/74/573149974.db2.gz CZMXCDPOPDZOMD-KOLCDFICSA-N 0 0 189.258 2.433 10 30 AEEERN CCS[C@H]1C=CCC[C@H]1C=O 238291526 573149981 /nfs/dbraw/zinc/14/99/81/573149981.db2.gz HQPMRBYOGZOWDU-IUCAKERBSA-N 0 0 170.277 2.273 10 30 AEEERN C[C@H](C=NOCC1CC1)CCC#N 308288671 573150099 /nfs/dbraw/zinc/15/00/99/573150099.db2.gz CFLRLAUMWBCWNF-VIFPVBQESA-N 0 0 180.251 2.339 10 30 AEEERN CC[C@@H](C)NC(C)=C1C=CC=CC1=O 238292245 573150108 /nfs/dbraw/zinc/15/01/08/573150108.db2.gz QRBFHCBQXCTHFN-ZAGORRGESA-N 0 0 191.274 2.344 10 30 AEEERN CCON=Cc1cc(F)ccc1F 308288581 573150268 /nfs/dbraw/zinc/15/02/68/573150268.db2.gz CCSWDFSTZMEJHO-UHFFFAOYSA-N 0 0 185.173 2.335 10 30 AEEERN CCC(C)(C)C=NN[C@H](C)CC#N 308288756 573150298 /nfs/dbraw/zinc/15/02/98/573150298.db2.gz FTJVIYLSNDNNBV-SECBINFHSA-N 0 0 181.283 2.300 10 30 AEEERN C[C@@H](C=NOCC1CC1)CCC#N 308288670 573150340 /nfs/dbraw/zinc/15/03/40/573150340.db2.gz CFLRLAUMWBCWNF-SECBINFHSA-N 0 0 180.251 2.339 10 30 AEEERN CCO[C@@](C)(CC=O)CC1CC1 258552537 573150656 /nfs/dbraw/zinc/15/06/56/573150656.db2.gz PMYKBGFPCWFWMO-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C=C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C1CC1 308287395 573150736 /nfs/dbraw/zinc/15/07/36/573150736.db2.gz ZRAAQDBDGBAAKW-SFGNSQDASA-N 0 0 180.247 2.150 10 30 AEEERN C#CC[C@H](C)OC(=O)/C(=C\C)CC 308288407 573150751 /nfs/dbraw/zinc/15/07/51/573150751.db2.gz FLWUREJEGSIUMO-LKJZUNMESA-N 0 0 180.247 2.298 10 30 AEEERN C#CC[C@H](C)OC(=O)/C(=C/C)CC 308288406 573150790 /nfs/dbraw/zinc/15/07/90/573150790.db2.gz FLWUREJEGSIUMO-CMWXKVOJSA-N 0 0 180.247 2.298 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1CCSC1 308288752 573151357 /nfs/dbraw/zinc/15/13/57/573151357.db2.gz FSYXUFKJACJUCU-SNVBAGLBSA-N 0 0 199.319 2.122 10 30 AEEERN C=C[C@H](C)NOC1CCCC1 235513220 573151430 /nfs/dbraw/zinc/15/14/30/573151430.db2.gz JKEHJCDJOBDWAE-QMMMGPOBSA-N 0 0 155.241 2.025 10 30 AEEERN CCS[C@H]1C=CCC[C@@H]1C=O 238291515 573151490 /nfs/dbraw/zinc/15/14/90/573151490.db2.gz HQPMRBYOGZOWDU-BDAKNGLRSA-N 0 0 170.277 2.273 10 30 AEEERN CCc1nc(C)cn1CC(C)(C)C#N 715130111 573151533 /nfs/dbraw/zinc/15/15/33/573151533.db2.gz UAWJGMLRORSWLH-UHFFFAOYSA-N 0 0 191.278 2.304 10 30 AEEERN CCC(C)(C)C=NN[C@@H](C)CC#N 308288757 573151639 /nfs/dbraw/zinc/15/16/39/573151639.db2.gz FTJVIYLSNDNNBV-VIFPVBQESA-N 0 0 181.283 2.300 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C(/C)C1CC1 308253883 573151712 /nfs/dbraw/zinc/15/17/12/573151712.db2.gz JFZWSIZETZJRBU-UFGYOYAJSA-N 0 0 180.247 2.460 10 30 AEEERN C=CCCOC(=O)c1c[nH]cc1C 308288059 573151790 /nfs/dbraw/zinc/15/17/90/573151790.db2.gz ACIJPWKNDYKHOY-UHFFFAOYSA-N 0 0 179.219 2.056 10 30 AEEERN C=CCCC[C@@H](O)[C@@H](O)CCCC 223917072 573151810 /nfs/dbraw/zinc/15/18/10/573151810.db2.gz FUZAZZDGXBFLEA-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN C#CC[N@@H+](C)CC1(CSC)CCC1 308287973 573151844 /nfs/dbraw/zinc/15/18/44/573151844.db2.gz BRZVIMSLKQQCNX-UHFFFAOYSA-N 0 0 197.347 2.085 10 30 AEEERN COc1ccc(NCS)cc1OC 258553140 573152338 /nfs/dbraw/zinc/15/23/38/573152338.db2.gz AWSLQWWYUALQMF-UHFFFAOYSA-N 0 0 199.275 2.003 10 30 AEEERN C/C=C\COc1cc(C)nc(C#N)c1 308282010 573152830 /nfs/dbraw/zinc/15/28/30/573152830.db2.gz WUVMOVBVMKHNKO-ARJAWSKDSA-N 0 0 188.230 2.217 10 30 AEEERN C=C(CN(C)c1ccccc1)OC 308282330 573152933 /nfs/dbraw/zinc/15/29/33/573152933.db2.gz YIZAKKXGOBUEQT-UHFFFAOYSA-N 0 0 177.247 2.283 10 30 AEEERN C=C(C)CC(=O)N(C)CC1CCC1 308284536 573152987 /nfs/dbraw/zinc/15/29/87/573152987.db2.gz ZUMVWEUFVVKBRI-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN CCS[C@H]1CCCC[C@@H]1C=O 238291658 573153325 /nfs/dbraw/zinc/15/33/25/573153325.db2.gz AGHOBDRUPQKFFO-BDAKNGLRSA-N 0 0 172.293 2.497 10 30 AEEERN C=C(c1cc(F)ccc1F)[C@H](C)O 115030740 573153343 /nfs/dbraw/zinc/15/33/43/573153343.db2.gz GYINCLTUOQLIMI-ZETCQYMHSA-N 0 0 184.185 2.359 10 30 AEEERN Cc1ccc(C2(C#N)COC2)c(C)c1 258542468 573153477 /nfs/dbraw/zinc/15/34/77/573153477.db2.gz JWWOWGFSKHMQHC-UHFFFAOYSA-N 0 0 187.242 2.095 10 30 AEEERN Cc1ccc([C@H](N)C2(C#N)CC2)cc1 259601833 573153574 /nfs/dbraw/zinc/15/35/74/573153574.db2.gz XCKUCEXYFOBIHQ-NSHDSACASA-N 0 0 186.258 2.299 10 30 AEEERN CC[C@@](C)(C=O)OC=C(C)C 238292525 573153678 /nfs/dbraw/zinc/15/36/78/573153678.db2.gz OIEIQRDXERZAOT-VIFPVBQESA-N 0 0 156.225 2.294 10 30 AEEERN C=CCCOC(=O)[C@H]1[C@@H](C)C1(F)F 308283888 573154037 /nfs/dbraw/zinc/15/40/37/573154037.db2.gz XYIMPFWBZDHNDP-RNFRBKRXSA-N 0 0 190.189 2.007 10 30 AEEERN C[C@H]1C(=NN)C[C@H]1c1ccccc1 308284160 573154210 /nfs/dbraw/zinc/15/42/10/573154210.db2.gz YEWCZGNINHIFPV-PSASIEDQSA-N 0 0 174.247 2.125 10 30 AEEERN C[C@H]1C(N=N)C[C@@H]1c1ccccc1 308284162 573154313 /nfs/dbraw/zinc/15/43/13/573154313.db2.gz YEWCZGNINHIFPV-SCZZXKLOSA-N 0 0 174.247 2.125 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CCCC#N 308283942 573154390 /nfs/dbraw/zinc/15/43/90/573154390.db2.gz YAGTXAWQZFLFLM-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN CC(=NNC(C)(C)C)C(C)C 393615384 573154680 /nfs/dbraw/zinc/15/46/80/573154680.db2.gz JTVFCCWIFFHPET-UHFFFAOYSA-N 0 0 156.273 2.406 10 30 AEEERN C(=N/c1cncnc1)\c1ccsc1 89224245 573154887 /nfs/dbraw/zinc/15/48/87/573154887.db2.gz NHRLSCIZLJWBQK-KGVSQERTSA-N 0 0 189.243 2.289 10 30 AEEERN Cc1ccoc1C=NOCC1CC1 308289015 573154915 /nfs/dbraw/zinc/15/49/15/573154915.db2.gz CZBQBRJSCQHUCT-UHFFFAOYSA-N 0 0 179.219 2.349 10 30 AEEERN C=C(C)CCn1ccnc1C(C)=O 308283547 573154941 /nfs/dbraw/zinc/15/49/41/573154941.db2.gz YYMLWXJQZTWQHG-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN C=CC[C@H](O)/C=C\[C@@H](C)[C@H](O)C(C)C 393658495 573155057 /nfs/dbraw/zinc/15/50/57/573155057.db2.gz PHTNEJKAPILAAB-XPLOQRPJSA-N 0 0 198.306 2.133 10 30 AEEERN N#C[C@@H]1C2=CC=CC=C[C@H]2C[C@@H]1CC=O 238623258 573155087 /nfs/dbraw/zinc/15/50/87/573155087.db2.gz IOARMSBMBOKFAF-GVXVVHGQSA-N 0 0 199.253 2.404 10 30 AEEERN C=CC[C@@H]1CCC[C@H]1NC(=O)OC 308284598 573155109 /nfs/dbraw/zinc/15/51/09/573155109.db2.gz ZWTKYJBTDHWXFK-RKDXNWHRSA-N 0 0 183.251 2.087 10 30 AEEERN C=CC[C@@H](O)/C=C\[C@@H](C)[C@H](O)C(C)C 393658494 573155189 /nfs/dbraw/zinc/15/51/89/573155189.db2.gz PHTNEJKAPILAAB-SRYIRSEJSA-N 0 0 198.306 2.133 10 30 AEEERN O=C[C@@H]1Cc2ccc(Cl)cc2C1 115038908 573156966 /nfs/dbraw/zinc/15/69/66/573156966.db2.gz ACQZJHVISXPHON-SSDOTTSWSA-N 0 0 180.634 2.254 10 30 AEEERN C[C@H](CC#N)NOCc1ccccc1 82666485 573155352 /nfs/dbraw/zinc/15/53/52/573155352.db2.gz XNYCERKKHYOGRF-SNVBAGLBSA-N 0 0 190.246 2.010 10 30 AEEERN Cc1cc(O)c(C)c(C)c1CC#N 259346898 573155369 /nfs/dbraw/zinc/15/53/69/573155369.db2.gz HRLNRQTUQXNFFW-UHFFFAOYSA-N 0 0 175.231 2.384 10 30 AEEERN O=C[C@H]1Cc2ccc(Cl)cc2C1 115038906 573155540 /nfs/dbraw/zinc/15/55/40/573155540.db2.gz ACQZJHVISXPHON-ZETCQYMHSA-N 0 0 180.634 2.254 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C(C)(C)C#N 308284172 573155607 /nfs/dbraw/zinc/15/56/07/573155607.db2.gz YFFRZPWTBUTTER-MRVPVSSYSA-N 0 0 181.235 2.044 10 30 AEEERN C=C[C@H](C)OC(=O)c1cc(Cl)c[nH]1 308222991 573155626 /nfs/dbraw/zinc/15/56/26/573155626.db2.gz CVJXDIPQTPWJLN-LURJTMIESA-N 0 0 199.637 2.399 10 30 AEEERN N#CCCc1ccc2c(c1)CCN2 259348041 573155666 /nfs/dbraw/zinc/15/56/66/573155666.db2.gz YNOBOFVZQQGSMZ-UHFFFAOYSA-N 0 0 172.231 2.111 10 30 AEEERN C=C(C)[C@H](O)c1ncc(CC)s1 642853691 573155847 /nfs/dbraw/zinc/15/58/47/573155847.db2.gz TUKWOPBXIAYHML-QMMMGPOBSA-N 0 0 182.268 2.123 10 30 AEEERN CCO[C@@H]1C=C(C(C)=O)CCC1 238293581 573156231 /nfs/dbraw/zinc/15/62/31/573156231.db2.gz RBDDCBJFFBOIMX-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN O=CC[C@@H]1CCCCn2cccc21 223914292 573156320 /nfs/dbraw/zinc/15/63/20/573156320.db2.gz MJVCHCISLKLLDQ-JTQLQIEISA-N 0 0 177.247 2.345 10 30 AEEERN C[C@@H]1C(N=N)C[C@@H]1c1ccccc1 308284166 573156327 /nfs/dbraw/zinc/15/63/27/573156327.db2.gz YEWCZGNINHIFPV-WPRPVWTQSA-N 0 0 174.247 2.125 10 30 AEEERN Cc1ccccc1[C@@H](C#N)c1ncc[nH]1 259347508 573156389 /nfs/dbraw/zinc/15/63/89/573156389.db2.gz ZLQAXQIXESXJLA-LLVKDONJSA-N 0 0 197.241 2.374 10 30 AEEERN CCSc1cc(C#N)ccc1O 238294265 573156931 /nfs/dbraw/zinc/15/69/31/573156931.db2.gz FCOUAUODTVXVAB-UHFFFAOYSA-N 0 0 179.244 2.376 10 30 AEEERN C=CCc1noc(C2(SC)CC2)n1 308288959 573156495 /nfs/dbraw/zinc/15/64/95/573156495.db2.gz CMQCBISEIQVIJN-UHFFFAOYSA-N 0 0 196.275 2.150 10 30 AEEERN N#CCCC1(c2ccccc2)COC1 258545274 573156686 /nfs/dbraw/zinc/15/66/86/573156686.db2.gz KEACEXFJLCPWHX-UHFFFAOYSA-N 0 0 187.242 2.258 10 30 AEEERN Cc1cc(=O)c2oc(C)c(C#N)c2[nH]1 259347242 573156778 /nfs/dbraw/zinc/15/67/78/573156778.db2.gz MGUVFAUBDQZYEO-UHFFFAOYSA-N 0 0 188.186 2.022 10 30 AEEERN CCc1ccc2cnoc2c1C#N 238292876 573156829 /nfs/dbraw/zinc/15/68/29/573156829.db2.gz JHYISXMYUOACQU-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C=CC[C@@H](O)/C=C/[C@@H](C)[C@H](O)C(C)C 393658496 573156887 /nfs/dbraw/zinc/15/68/87/573156887.db2.gz PHTNEJKAPILAAB-ZIEBMVIYSA-N 0 0 198.306 2.133 10 30 AEEERN C=CC[C@H](O)/C=C/[C@@H](C)[C@H](O)C(C)C 393658493 573157399 /nfs/dbraw/zinc/15/73/99/573157399.db2.gz PHTNEJKAPILAAB-FPRQQXHMSA-N 0 0 198.306 2.133 10 30 AEEERN C=CCCOC(=O)[C@H]1[C@H](C)C1(F)F 308283883 573157879 /nfs/dbraw/zinc/15/78/79/573157879.db2.gz XYIMPFWBZDHNDP-NKWVEPMBSA-N 0 0 190.189 2.007 10 30 AEEERN N#Cc1cnccc1OC1CCCC1 259996999 573157928 /nfs/dbraw/zinc/15/79/28/573157928.db2.gz FVBXKLZLJNEMCI-UHFFFAOYSA-N 0 0 188.230 2.275 10 30 AEEERN CCc1ccc2oncc2c1C#N 238294310 573157964 /nfs/dbraw/zinc/15/79/64/573157964.db2.gz AYPMZYCFDDBLCC-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN CC(C)CC1(CCC#N)COC1 258554584 573158028 /nfs/dbraw/zinc/15/80/28/573158028.db2.gz LBRPYUUNKSMWJT-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN Cc1cc(-c2noc(C#N)c2C)c[nH]1 259349514 573158256 /nfs/dbraw/zinc/15/82/56/573158256.db2.gz COUIZWCSLVWPIS-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN CC#CCOC(=O)CC[C@H](C)CC 308285343 573158634 /nfs/dbraw/zinc/15/86/34/573158634.db2.gz DCLHGMZVOUMLSX-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN CC#C[C@@H](O)c1ccc(CC)s1 238293681 573159087 /nfs/dbraw/zinc/15/90/87/573159087.db2.gz OJXOWKLRJWLBJF-SECBINFHSA-N 0 0 180.272 2.367 10 30 AEEERN CC[C@H](C)[C@@H](C)n1cc(C#N)cn1 238292980 573159181 /nfs/dbraw/zinc/15/91/81/573159181.db2.gz DZNSSKFJEGXGOO-DTWKUNHWSA-N 0 0 177.251 2.362 10 30 AEEERN Cc1cccc(C2(CC#N)COC2)c1 258559411 573159354 /nfs/dbraw/zinc/15/93/54/573159354.db2.gz LWYMOZPLAYAHBY-UHFFFAOYSA-N 0 0 187.242 2.177 10 30 AEEERN CC[C@H](c1ccccc1C#N)[C@H](C)O 238294441 573159448 /nfs/dbraw/zinc/15/94/48/573159448.db2.gz CZMXCDPOPDZOMD-ONGXEEELSA-N 0 0 189.258 2.433 10 30 AEEERN CCc1nc([C@H](C#N)CC)[nH]c1C 258559372 573160332 /nfs/dbraw/zinc/16/03/32/573160332.db2.gz LTVSWDUBXFUQLV-QMMMGPOBSA-N 0 0 177.251 2.298 10 30 AEEERN CCCCNN=Cc1ccccc1 308284790 573160375 /nfs/dbraw/zinc/16/03/75/573160375.db2.gz BFRFKUQDMIEYAG-UHFFFAOYSA-N 0 0 176.263 2.410 10 30 AEEERN C=CCCCSC 115093032 573160378 /nfs/dbraw/zinc/16/03/78/573160378.db2.gz VLMMKBGQSJLXIH-UHFFFAOYSA-N 0 0 116.229 2.316 10 30 AEEERN CCc1nc([C@@H](C#N)CC)[nH]c1C 258559371 573160487 /nfs/dbraw/zinc/16/04/87/573160487.db2.gz LTVSWDUBXFUQLV-MRVPVSSYSA-N 0 0 177.251 2.298 10 30 AEEERN CCO[C@H](C=O)C1CCCCC1 258560228 573160515 /nfs/dbraw/zinc/16/05/15/573160515.db2.gz QNHWSPNZBGCHLL-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN O=C[C@@H]1CCCc2sccc21 89556434 573160966 /nfs/dbraw/zinc/16/09/66/573160966.db2.gz XPKPTXYLURMGTO-ZETCQYMHSA-N 0 0 166.245 2.367 10 30 AEEERN CCC1(C)CN(CC(C)(C)C#N)C1 405166476 573161072 /nfs/dbraw/zinc/16/10/72/573161072.db2.gz UJABFIBHCANTOJ-UHFFFAOYSA-N 0 0 180.295 2.268 10 30 AEEERN CN(C)/N=C/c1cc2ccccc2[nH]1 238294639 573161250 /nfs/dbraw/zinc/16/12/50/573161250.db2.gz VWINJKQLZYHKFC-XYOKQWHBSA-N 0 0 187.246 2.063 10 30 AEEERN C[C@H](F)CCON=Cc1ccco1 308285544 573161659 /nfs/dbraw/zinc/16/16/59/573161659.db2.gz YWCMMSSPGGXMAS-QMMMGPOBSA-N 0 0 185.198 2.378 10 30 AEEERN COCCCON=C1CCCCC1 308285715 573161681 /nfs/dbraw/zinc/16/16/81/573161681.db2.gz BVZRMJUYPRNJGM-UHFFFAOYSA-N 0 0 185.267 2.360 10 30 AEEERN CC(C)(O)Cc1ccccc1CC#N 259350091 573161760 /nfs/dbraw/zinc/16/17/60/573161760.db2.gz HXRKNHDRXKAHFW-UHFFFAOYSA-N 0 0 189.258 2.066 10 30 AEEERN COCCCC(C)=NOCC(C)C 308285740 573161996 /nfs/dbraw/zinc/16/19/96/573161996.db2.gz AVKGFYPONOUCFD-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN CON=C[C@@H]1C[C@@H]1c1ccccc1 308285637 573162157 /nfs/dbraw/zinc/16/21/57/573162157.db2.gz BRJDCRILTGYQFG-WDEREUQCSA-N 0 0 175.231 2.422 10 30 AEEERN CCO[C@H]1C[C@H]1C#C/C=C/Cl 238297992 573162187 /nfs/dbraw/zinc/16/21/87/573162187.db2.gz DKBGCITUNFMURY-OGSWXMBVSA-N 0 0 170.639 2.167 10 30 AEEERN CC[C@H](CC#N)OC(=O)CC1CC1 308285601 573162356 /nfs/dbraw/zinc/16/23/56/573162356.db2.gz ATOXOZJVKMCHSZ-SECBINFHSA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@@H](CC#N)OC(=O)CC1CC1 308285602 573162414 /nfs/dbraw/zinc/16/24/14/573162414.db2.gz ATOXOZJVKMCHSZ-VIFPVBQESA-N 0 0 181.235 2.022 10 30 AEEERN CN(CCC#N)Cc1ccc(Cl)o1 308284708 573162482 /nfs/dbraw/zinc/16/24/82/573162482.db2.gz ZZFSVZHXYYSMTR-UHFFFAOYSA-N 0 0 198.653 2.278 10 30 AEEERN CCSc1cc(O)cc(C#N)c1 238298024 573162547 /nfs/dbraw/zinc/16/25/47/573162547.db2.gz SXJMOHZHJNMTTF-UHFFFAOYSA-N 0 0 179.244 2.376 10 30 AEEERN Cc1cccc(-c2noc(C#N)c2N)c1 259349234 573162608 /nfs/dbraw/zinc/16/26/08/573162608.db2.gz FXWJMNMHQLWWEY-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN CCc1c(C#N)ccnc1Cl 238297391 573162652 /nfs/dbraw/zinc/16/26/52/573162652.db2.gz GHUARZPBSLITTR-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN C[C@@H](F)CCON=Cc1ccco1 308285543 573162985 /nfs/dbraw/zinc/16/29/85/573162985.db2.gz YWCMMSSPGGXMAS-MRVPVSSYSA-N 0 0 185.198 2.378 10 30 AEEERN CCC[C@H](C=O)C(C)(F)F 258560185 573163093 /nfs/dbraw/zinc/16/30/93/573163093.db2.gz QLWNYHDVQDXJDR-ZCFIWIBFSA-N 0 0 150.168 2.257 10 30 AEEERN C=C[C@@H]1[C@@H](C(C)=O)[C@@H]1CC 238297945 573163095 /nfs/dbraw/zinc/16/30/95/573163095.db2.gz QNSJVJZTBFGHRR-DJLDLDEBSA-N 0 0 138.210 2.034 10 30 AEEERN CON=C[C@H]1C[C@H]1c1ccccc1 308285635 573163111 /nfs/dbraw/zinc/16/31/11/573163111.db2.gz BRJDCRILTGYQFG-MNOVXSKESA-N 0 0 175.231 2.422 10 30 AEEERN CCc1ccc(F)cc1[C@H](N)CC#N 104675477 573163813 /nfs/dbraw/zinc/16/38/13/573163813.db2.gz FJIKUFJOAIFPES-LLVKDONJSA-N 0 0 192.237 2.302 10 30 AEEERN C=CCCC[C@@H](NC)C(F)(F)F 128895936 573163228 /nfs/dbraw/zinc/16/32/28/573163228.db2.gz ACARQZZOFWHDEI-SSDOTTSWSA-N 0 0 181.201 2.493 10 30 AEEERN CC#CCOC(=O)CC[C@@H](C)CC 308285342 573163310 /nfs/dbraw/zinc/16/33/10/573163310.db2.gz DCLHGMZVOUMLSX-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN C=C[C@@H]1NC(=O)N(C(C)(C)C)[C@@H]1CC 238297923 573163333 /nfs/dbraw/zinc/16/33/33/573163333.db2.gz JANFQZHQDGXZKF-DTWKUNHWSA-N 0 0 196.294 2.143 10 30 AEEERN C=C[C@H](C)OC(=O)c1cc(C)sn1 308285468 573163727 /nfs/dbraw/zinc/16/37/27/573163727.db2.gz YSINVVBDVBQBLM-LURJTMIESA-N 0 0 197.259 2.183 10 30 AEEERN CC(C)(C#N)C(F)(F)F 115133602 573163499 /nfs/dbraw/zinc/16/34/99/573163499.db2.gz ZBHNUTIHLMUHEB-UHFFFAOYSA-N 0 0 137.104 2.098 10 30 AEEERN COc1cccc(NCCCS)c1 258558427 573163644 /nfs/dbraw/zinc/16/36/44/573163644.db2.gz BIRXUBVERRUWHC-UHFFFAOYSA-N 0 0 197.303 2.427 10 30 AEEERN CON=C[C@H]1C[C@@H]1c1ccccc1 308285634 573163680 /nfs/dbraw/zinc/16/36/80/573163680.db2.gz BRJDCRILTGYQFG-GHMZBOCLSA-N 0 0 175.231 2.422 10 30 AEEERN CCc1c(C)nn(CCCC#N)c1C 40732445 573163731 /nfs/dbraw/zinc/16/37/31/573163731.db2.gz NBBBIGTYUOPRTG-UHFFFAOYSA-N 0 0 191.278 2.366 10 30 AEEERN C(=NOCCC1CC1)c1ccc[nH]1 308290389 573164162 /nfs/dbraw/zinc/16/41/62/573164162.db2.gz GXPXXSSUPCXGMJ-UHFFFAOYSA-N 0 0 178.235 2.165 10 30 AEEERN C=CCc1ccc(O)c(O)c1C 115119323 573164332 /nfs/dbraw/zinc/16/43/32/573164332.db2.gz MUKSWKJVQYVIIB-UHFFFAOYSA-N 0 0 164.204 2.135 10 30 AEEERN CCCCCCC[C@H]1C(=O)C=C[C@@H]1O 77904152 573164387 /nfs/dbraw/zinc/16/43/87/573164387.db2.gz JOJDSFWDKMJLIB-MNOVXSKESA-N 0 0 196.290 2.463 10 30 AEEERN CCc1cc(F)ccc1[C@H](N)CC#N 104675483 573164500 /nfs/dbraw/zinc/16/45/00/573164500.db2.gz JDTFLYPQQLDONT-LLVKDONJSA-N 0 0 192.237 2.302 10 30 AEEERN CO[C@@H](C)CON=Cc1cccs1 308290346 573164578 /nfs/dbraw/zinc/16/45/78/573164578.db2.gz DMSQRRAUGSDEHS-QMMMGPOBSA-N 0 0 199.275 2.134 10 30 AEEERN C=CC[C@@H](CC)CC=O 238297039 573164609 /nfs/dbraw/zinc/16/46/09/573164609.db2.gz FBCAZHRIJSMZAF-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN CCCCCCC[C@@H]1C(=O)C=C[C@@H]1O 77904155 573164919 /nfs/dbraw/zinc/16/49/19/573164919.db2.gz JOJDSFWDKMJLIB-QWRGUYRKSA-N 0 0 196.290 2.463 10 30 AEEERN CCSc1cc(N)ccc1C#N 238297773 573164944 /nfs/dbraw/zinc/16/49/44/573164944.db2.gz GOBYPUYWXOOAOS-UHFFFAOYSA-N 0 0 178.260 2.252 10 30 AEEERN C=CC[C@@H](CC)C(=S)NC 238297011 573165142 /nfs/dbraw/zinc/16/51/42/573165142.db2.gz GIPKUJZNXUPAMU-SSDOTTSWSA-N 0 0 157.282 2.136 10 30 AEEERN CC[C@@H]1C(=O)C(C)=COC1(C)C 238297137 573165148 /nfs/dbraw/zinc/16/51/48/573165148.db2.gz OOURHTQKLWXAJF-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN CCc1c(C)cnc2c1cc(C#N)n2C 259352503 573165437 /nfs/dbraw/zinc/16/54/37/573165437.db2.gz MONZCHPZJWUCOY-UHFFFAOYSA-N 0 0 199.257 2.316 10 30 AEEERN CN[C@@H](S)c1ccc(F)c(F)c1 259351966 573165598 /nfs/dbraw/zinc/16/55/98/573165598.db2.gz KRRBEGDMSKXULF-QMMMGPOBSA-N 0 0 189.230 2.113 10 30 AEEERN CC1([C@@H](C#N)NCC2CC2)CCC1 686127546 573165637 /nfs/dbraw/zinc/16/56/37/573165637.db2.gz DITFUIMOECXQHY-SNVBAGLBSA-N 0 0 178.279 2.068 10 30 AEEERN COC(=O)c1ccc([C@H](C)S)o1 85827829 573165652 /nfs/dbraw/zinc/16/56/52/573165652.db2.gz HWELHQRFVFOMFS-YFKPBYRVSA-N 0 0 186.232 2.057 10 30 AEEERN CC[C@H]1C(C)=CC(=O)[C@H]1C 238297307 573165864 /nfs/dbraw/zinc/16/58/64/573165864.db2.gz IKZRELFVAGWLNZ-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CC#CCOC(=O)/C=C/C(C)=C/C 308299802 573166032 /nfs/dbraw/zinc/16/60/32/573166032.db2.gz LEEGQRIITSJPNF-LZIZUESTSA-N 0 0 178.231 2.075 10 30 AEEERN CCSc1cc(N)cc(C#N)c1 238297616 573166315 /nfs/dbraw/zinc/16/63/15/573166315.db2.gz ZBXREFYSHBHZMB-UHFFFAOYSA-N 0 0 178.260 2.252 10 30 AEEERN CC[C@@H]1C(=O)C=CC1(C)C 238297217 573166288 /nfs/dbraw/zinc/16/62/88/573166288.db2.gz AFCDATLZBZXPMI-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN ON=C(c1ccccc1)[C@H]1CCCO1 308300141 573167150 /nfs/dbraw/zinc/16/71/50/573167150.db2.gz IWURDHXTXVSDAF-SNVBAGLBSA-N 0 0 191.230 2.044 10 30 AEEERN CCc1ccc(CC(C)=O)cc1C#N 306557495 573167045 /nfs/dbraw/zinc/16/70/45/573167045.db2.gz JHJSMTWJRKGPAN-UHFFFAOYSA-N 0 0 187.242 2.252 10 30 AEEERN CCc1ccc([C@@H](O)CCC=O)cc1 308512544 573167099 /nfs/dbraw/zinc/16/70/99/573167099.db2.gz CTWVJKZNUBZGEW-LBPRGKRZSA-N 0 0 192.258 2.262 10 30 AEEERN CC[C@H](C)COC(=O)C(C)(C)C#N 308289093 573167197 /nfs/dbraw/zinc/16/71/97/573167197.db2.gz GAGUUORDLKPJAF-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN CO[C@H](C)CON=Cc1cccs1 308290345 573167242 /nfs/dbraw/zinc/16/72/42/573167242.db2.gz DMSQRRAUGSDEHS-MRVPVSSYSA-N 0 0 199.275 2.134 10 30 AEEERN C=C(C)Cn1ccc(C(C)=O)c1 85832894 573167311 /nfs/dbraw/zinc/16/73/11/573167311.db2.gz BFZVVLWUILIIRX-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN C#CCCC1(O)CCC2(CC1)CC2 642857317 573167321 /nfs/dbraw/zinc/16/73/21/573167321.db2.gz LBBWYIDYSPPBLU-UHFFFAOYSA-N 0 0 178.275 2.485 10 30 AEEERN CC#CCCOC(=O)/C=C/C=C\C 308289101 573168074 /nfs/dbraw/zinc/16/80/74/573168074.db2.gz GALDMAWWJJMINP-AACIIYHXSA-N 0 0 178.231 2.075 10 30 AEEERN CC[C@]1(C)CC(=O)C(C)=C(C)O1 238303145 573168076 /nfs/dbraw/zinc/16/80/76/573168076.db2.gz KDBSOASWUREZGP-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN CC(C)c1ccc(C(=O)[C@@H]2CO2)cc1 259354838 573167498 /nfs/dbraw/zinc/16/74/98/573167498.db2.gz WDAGOBFDKORWKN-NSHDSACASA-N 0 0 190.242 2.392 10 30 AEEERN Cc1ccc(-n2c(C#N)cnc2C)cc1 259352557 573167528 /nfs/dbraw/zinc/16/75/28/573167528.db2.gz MOYNYSKQRVYZIV-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=C[C@](O)(/C=C/Cl)CC 238298511 573167532 /nfs/dbraw/zinc/16/75/32/573167532.db2.gz HSGZLOKTTHRVGY-WEWAHIQMSA-N 0 0 146.617 2.066 10 30 AEEERN CC(=O)[C@H](C#N)c1ccc(F)cc1F 82737747 573167720 /nfs/dbraw/zinc/16/77/20/573167720.db2.gz PBZTWPWMQQLXME-VIFPVBQESA-N 0 0 195.168 2.161 10 30 AEEERN CCOCCON=C(CC)C1CC1 308289953 573168091 /nfs/dbraw/zinc/16/80/91/573168091.db2.gz DFEGDKOAOCRENY-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN N#Cc1ccc([C@H]2CCC[C@H]2O)cc1 306558072 573167977 /nfs/dbraw/zinc/16/79/77/573167977.db2.gz ODAWKSUXZXEPLY-VXGBXAGGSA-N 0 0 187.242 2.187 10 30 AEEERN CC#CCOC(=O)/C=C/C(C)=C\C 308299801 573167991 /nfs/dbraw/zinc/16/79/91/573167991.db2.gz LEEGQRIITSJPNF-KCGUVZDHSA-N 0 0 178.231 2.075 10 30 AEEERN N#Cc1c(N)sc2c(F)cccc12 306554537 573168374 /nfs/dbraw/zinc/16/83/74/573168374.db2.gz FCOUHPHZCVWKNN-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1Nn1cccc1 85830415 573168379 /nfs/dbraw/zinc/16/83/79/573168379.db2.gz ZLJKJJGGTMXQHG-WDEREUQCSA-N 0 0 189.262 2.114 10 30 AEEERN N#Cc1ccc([C@H]2CCC[C@@H]2O)cc1 306558069 573168449 /nfs/dbraw/zinc/16/84/49/573168449.db2.gz ODAWKSUXZXEPLY-NEPJUHHUSA-N 0 0 187.242 2.187 10 30 AEEERN CC=C1C(=O)c2ccccc2C1=O 115244246 573168548 /nfs/dbraw/zinc/16/85/48/573168548.db2.gz HOWBXSQTLYCSJB-UHFFFAOYSA-N 0 0 172.183 2.012 10 30 AEEERN CCC[C@](O)(CC=O)c1ccccc1 159353693 573168641 /nfs/dbraw/zinc/16/86/41/573168641.db2.gz UXUSQCCURHCGSB-LBPRGKRZSA-N 0 0 192.258 2.263 10 30 AEEERN N#Cc1sc2cccc(O)c2c1N 260055708 573168672 /nfs/dbraw/zinc/16/86/72/573168672.db2.gz PCLKJJZQCPVHMQ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN COc1cc(C#N)ccc1NC1CC1 234789747 573168779 /nfs/dbraw/zinc/16/87/79/573168779.db2.gz CVCVMIHZUDNJTF-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN N#Cc1ccc([C@@H]2CCC[C@H]2O)cc1 306558070 573168830 /nfs/dbraw/zinc/16/88/30/573168830.db2.gz ODAWKSUXZXEPLY-NWDGAFQWSA-N 0 0 187.242 2.187 10 30 AEEERN CC[C@@H]1CCC(C)C(=O)C1=O 238303601 573168983 /nfs/dbraw/zinc/16/89/83/573168983.db2.gz CNTPHDJVPQRKJM-SSDOTTSWSA-N 0 0 154.209 2.208 10 30 AEEERN CC[C@]1(C)CC(=O)C=C(OC)C1 238303182 573169003 /nfs/dbraw/zinc/16/90/03/573169003.db2.gz NJKPANOCEJHUNG-SNVBAGLBSA-N 0 0 168.236 2.296 10 30 AEEERN ON=C(c1ccccc1)[C@@H]1CCCO1 308300139 573169015 /nfs/dbraw/zinc/16/90/15/573169015.db2.gz IWURDHXTXVSDAF-JTQLQIEISA-N 0 0 191.230 2.044 10 30 AEEERN CC#CCCOC(=O)/C=C/C=C/C 308289102 573169055 /nfs/dbraw/zinc/16/90/55/573169055.db2.gz GALDMAWWJJMINP-WJDMQLPWSA-N 0 0 178.231 2.075 10 30 AEEERN N#C[C@@H]1CCCC[C@@H]1Nn1cccc1 85830416 573169073 /nfs/dbraw/zinc/16/90/73/573169073.db2.gz ZLJKJJGGTMXQHG-QWRGUYRKSA-N 0 0 189.262 2.114 10 30 AEEERN N#CC1([C@H](N)c2cccs2)CC1 259352720 573169211 /nfs/dbraw/zinc/16/92/11/573169211.db2.gz JWUYMXJATPLLMT-MRVPVSSYSA-N 0 0 178.260 2.052 10 30 AEEERN CCCC1CCC(O)(CC=O)CC1 159350424 573169411 /nfs/dbraw/zinc/16/94/11/573169411.db2.gz VGLIVNMOLGKOFE-UHFFFAOYSA-N 0 0 184.279 2.297 10 30 AEEERN C=C[C@@H]1C[C@@H](O)[C@H](CCCCC)O1 308203354 573169289 /nfs/dbraw/zinc/16/92/89/573169289.db2.gz RFOMUMVKHAHKIL-MXWKQRLJSA-N 0 0 184.279 2.271 10 30 AEEERN CCc1cc(CCC=O)c(C)cc1O 257958140 573169650 /nfs/dbraw/zinc/16/96/50/573169650.db2.gz BMQJIABWFCFZFU-UHFFFAOYSA-N 0 0 192.258 2.395 10 30 AEEERN CC(=O)C(=O)Cc1ccc(F)cc1 258564693 573169724 /nfs/dbraw/zinc/16/97/24/573169724.db2.gz KMVRNQPUCYOICC-POHAHGRESA-N 0 0 180.178 2.314 10 30 AEEERN C=CCCCC(=O)N1CCC[C@@H]1C 308290974 573169947 /nfs/dbraw/zinc/16/99/47/573169947.db2.gz GZCGCGADXLJGDC-JTQLQIEISA-N 0 0 181.279 2.354 10 30 AEEERN CC(C)(CS)c1cc[nH]c1 259354976 573170250 /nfs/dbraw/zinc/17/02/50/573170250.db2.gz UMLAMHHYBAJYOD-UHFFFAOYSA-N 0 0 155.266 2.222 10 30 AEEERN CC[C@](C)(C#N)C(=O)OCC(C)C 308291716 573170316 /nfs/dbraw/zinc/17/03/16/573170316.db2.gz HOWFRUWVUJAYEG-SNVBAGLBSA-N 0 0 183.251 2.125 10 30 AEEERN CCc1ccc(F)cc1[C@@H](N)CC#N 104676251 573170476 /nfs/dbraw/zinc/17/04/76/573170476.db2.gz FJIKUFJOAIFPES-NSHDSACASA-N 0 0 192.237 2.302 10 30 AEEERN CCOCCC=NNC(CC)CC 308291613 573170544 /nfs/dbraw/zinc/17/05/44/573170544.db2.gz FHQHFHBPDQNWAJ-UHFFFAOYSA-N 0 0 186.299 2.177 10 30 AEEERN CCO[C@@H](C#N)[C@@H]1CC=CCC1 238303583 573170719 /nfs/dbraw/zinc/17/07/19/573170719.db2.gz VTRHENUWFJOUPT-ZJUUUORDSA-N 0 0 165.236 2.271 10 30 AEEERN CC[C@H](C)CCC(=O)O[C@H](C)C#N 308290725 573171069 /nfs/dbraw/zinc/17/10/69/573171069.db2.gz GWCNKRQGQMJLSB-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN CCc1cccc(F)c1[C@@H](N)CC#N 104677214 573171073 /nfs/dbraw/zinc/17/10/73/573171073.db2.gz FFRZSWBFCWFHDH-JTQLQIEISA-N 0 0 192.237 2.302 10 30 AEEERN C/C=C\C(=O)OCCC(C)(C)C#N 308291406 573171086 /nfs/dbraw/zinc/17/10/86/573171086.db2.gz HIDOXHHMWSNTND-PLNGDYQASA-N 0 0 181.235 2.046 10 30 AEEERN CN[C@H](S)c1ccc(F)c(F)c1 259351964 573171395 /nfs/dbraw/zinc/17/13/95/573171395.db2.gz KRRBEGDMSKXULF-MRVPVSSYSA-N 0 0 189.230 2.113 10 30 AEEERN C=CCCCC(=O)N1CCC[C@H]1C 308290975 573171408 /nfs/dbraw/zinc/17/14/08/573171408.db2.gz GZCGCGADXLJGDC-SNVBAGLBSA-N 0 0 181.279 2.354 10 30 AEEERN CCO[C@@H](C#N)[C@H]1CC=CCC1 238303553 573171423 /nfs/dbraw/zinc/17/14/23/573171423.db2.gz VTRHENUWFJOUPT-UWVGGRQHSA-N 0 0 165.236 2.271 10 30 AEEERN CC[C@@H](C)CCC(=O)O[C@@H](C)C#N 308290724 573171467 /nfs/dbraw/zinc/17/14/67/573171467.db2.gz GWCNKRQGQMJLSB-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@@H](C)OC(=O)CC(C)(C)CC 308291693 573171622 /nfs/dbraw/zinc/17/16/22/573171622.db2.gz HNMSXPDHQOYMMM-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN CC[C@H](O)C#Cc1ccccc1Cl 238302897 573171696 /nfs/dbraw/zinc/17/16/96/573171696.db2.gz ACNJFOSBBVJVEU-JTQLQIEISA-N 0 0 194.661 2.462 10 30 AEEERN CCc1c(F)cccc1[C@@H](N)CC#N 104677208 573171769 /nfs/dbraw/zinc/17/17/69/573171769.db2.gz FKIDFWVOZHBRTD-NSHDSACASA-N 0 0 192.237 2.302 10 30 AEEERN C[C@@H](C[C@@H](O)CC=O)c1ccccc1 159357220 573171814 /nfs/dbraw/zinc/17/18/14/573171814.db2.gz MWWLJWDYIYNWMX-JQWIXIFHSA-N 0 0 192.258 2.130 10 30 AEEERN CCC(C)(C)C=NNC[C@@H](C)C#N 308290746 573171840 /nfs/dbraw/zinc/17/18/40/573171840.db2.gz GWTNVAGNEJTYGH-VIFPVBQESA-N 0 0 181.283 2.158 10 30 AEEERN C=C(C)C(=O)C(CC)(CC)OC 159362815 573171849 /nfs/dbraw/zinc/17/18/49/573171849.db2.gz XZFJXGPGBJTVSX-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN CC[C@]1(C)CC(=O)C(C)=CO1 238303159 573171937 /nfs/dbraw/zinc/17/19/37/573171937.db2.gz YXSJGJWAHXDCLY-SECBINFHSA-N 0 0 154.209 2.048 10 30 AEEERN C#CCCC(=O)C1(OCC)CCCC1 159379825 573171940 /nfs/dbraw/zinc/17/19/40/573171940.db2.gz VTRWGVIWPCYTNW-UHFFFAOYSA-N 0 0 194.274 2.318 10 30 AEEERN N#CCc1ccc2cc[nH]c2c1F 257958156 573171949 /nfs/dbraw/zinc/17/19/49/573171949.db2.gz GJOFVBVCNVZPQR-UHFFFAOYSA-N 0 0 174.178 2.373 10 30 AEEERN CSC1(C=NNC[C@@H]2C[C@@H]2C)CC1 308291568 573171967 /nfs/dbraw/zinc/17/19/67/573171967.db2.gz FDVANXWVMXKLCH-IUCAKERBSA-N 0 0 198.335 2.113 10 30 AEEERN CCC(C)(C)C=NNC[C@H](C)C#N 308290745 573172043 /nfs/dbraw/zinc/17/20/43/573172043.db2.gz GWTNVAGNEJTYGH-SECBINFHSA-N 0 0 181.283 2.158 10 30 AEEERN C/C=C/C(=O)OCCC(C)(C)C#N 308291407 573172168 /nfs/dbraw/zinc/17/21/68/573172168.db2.gz HIDOXHHMWSNTND-SNAWJCMRSA-N 0 0 181.235 2.046 10 30 AEEERN C[C@H](C[C@@H](O)CC=O)c1ccccc1 159357348 573172293 /nfs/dbraw/zinc/17/22/93/573172293.db2.gz MWWLJWDYIYNWMX-PWSUYJOCSA-N 0 0 192.258 2.130 10 30 AEEERN CC[C@H](C)CCC(=O)O[C@@H](C)C#N 308290726 573172324 /nfs/dbraw/zinc/17/23/24/573172324.db2.gz GWCNKRQGQMJLSB-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN CC(=O)Cc1c(Cl)cccc1C#N 306563442 573172391 /nfs/dbraw/zinc/17/23/91/573172391.db2.gz PJHNSNFCPGJCTR-UHFFFAOYSA-N 0 0 193.633 2.343 10 30 AEEERN CC(C)(C)c1cc(C=O)oc1C#N 259353096 573172474 /nfs/dbraw/zinc/17/24/74/573172474.db2.gz GCTXMYBUEBRGCI-UHFFFAOYSA-N 0 0 177.203 2.261 10 30 AEEERN CC[C@@](C)(C#N)C(=O)OCC(C)C 308291715 573173666 /nfs/dbraw/zinc/17/36/66/573173666.db2.gz HOWFRUWVUJAYEG-JTQLQIEISA-N 0 0 183.251 2.125 10 30 AEEERN CC#CCC(=O)C(CC)(CC)OC 159360592 573172525 /nfs/dbraw/zinc/17/25/25/573172525.db2.gz CKYCXOKBKVANFT-UHFFFAOYSA-N 0 0 182.263 2.174 10 30 AEEERN N#Cc1cc2ccc(N)cc2s1 259353448 573172694 /nfs/dbraw/zinc/17/26/94/573172694.db2.gz GFBVBBWZLPTAEU-UHFFFAOYSA-N 0 0 174.228 2.355 10 30 AEEERN C=C1C(C)=C(C)[C@]1(C)C(=S)NC 238304544 573173699 /nfs/dbraw/zinc/17/36/99/573173699.db2.gz OEZXRTHJXNRWPM-SNVBAGLBSA-N 0 0 181.304 2.446 10 30 AEEERN C=C(C)C(=O)C1(OCC)CCCC1 159377964 573173628 /nfs/dbraw/zinc/17/36/28/573173628.db2.gz QVIOEXHXEJAJFX-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN CCC(=NNC[C@H](C)C#N)C(C)C 308291695 573172872 /nfs/dbraw/zinc/17/28/72/573172872.db2.gz HNRPEMBJRTZRLW-SECBINFHSA-N 0 0 181.283 2.158 10 30 AEEERN CC1(COC(=O)CCCC#N)CC1 308291004 573173632 /nfs/dbraw/zinc/17/36/32/573173632.db2.gz HBAYJPPBKLISMK-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN CCc1cc(F)ccc1[C@@H](N)CC#N 104677206 573173035 /nfs/dbraw/zinc/17/30/35/573173035.db2.gz JDTFLYPQQLDONT-NSHDSACASA-N 0 0 192.237 2.302 10 30 AEEERN CC(C)(C)[C@H](C#N)c1ncc[nH]1 259353607 573173149 /nfs/dbraw/zinc/17/31/49/573173149.db2.gz ZSPWZFIVSARWQL-SSDOTTSWSA-N 0 0 163.224 2.063 10 30 AEEERN CCc1cc(C#N)cc(CC(C)=O)c1 306569260 573173177 /nfs/dbraw/zinc/17/31/77/573173177.db2.gz WEMMWNJGEMEOAN-UHFFFAOYSA-N 0 0 187.242 2.252 10 30 AEEERN CCc1c(F)cccc1[C@H](N)CC#N 104675485 573173180 /nfs/dbraw/zinc/17/31/80/573173180.db2.gz FKIDFWVOZHBRTD-LLVKDONJSA-N 0 0 192.237 2.302 10 30 AEEERN C=C(CC)Cn1cnc(C(F)F)n1 308290466 573173240 /nfs/dbraw/zinc/17/32/40/573173240.db2.gz GTAXHSQNDGDFRG-UHFFFAOYSA-N 0 0 187.193 2.182 10 30 AEEERN C[C@H](C[C@H](O)CC=O)c1ccccc1 159357068 573173246 /nfs/dbraw/zinc/17/32/46/573173246.db2.gz MWWLJWDYIYNWMX-ZYHUDNBSSA-N 0 0 192.258 2.130 10 30 AEEERN C(=NOCCC1CC1)c1ccoc1 308291882 573173301 /nfs/dbraw/zinc/17/33/01/573173301.db2.gz KKVIBOQDVKUARN-UHFFFAOYSA-N 0 0 179.219 2.430 10 30 AEEERN CCc1ccc2snc(C#N)c2n1 259353023 573173306 /nfs/dbraw/zinc/17/33/06/573173306.db2.gz GBZJGFBOOUHAES-UHFFFAOYSA-N 0 0 189.243 2.125 10 30 AEEERN CC[C@@H](C)CCC(=O)O[C@H](C)C#N 308290728 573173334 /nfs/dbraw/zinc/17/33/34/573173334.db2.gz GWCNKRQGQMJLSB-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN CCc1cc(C#N)c2cnoc2c1 238304599 573173336 /nfs/dbraw/zinc/17/33/36/573173336.db2.gz IZHNAABYUYWGTC-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C#C[C@H](C)OC(=O)CC(C)(C)CC 308291694 573173760 /nfs/dbraw/zinc/17/37/60/573173760.db2.gz HNMSXPDHQOYMMM-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN C[C@H]1O[C@H]1c1ccc2c(c1)CCO2 259355752 573173978 /nfs/dbraw/zinc/17/39/78/573173978.db2.gz PWZMAIHPSAJXNW-RDDDGLTNSA-N 0 0 176.215 2.081 10 30 AEEERN CSC1(C=NNC[C@H]2C[C@H]2C)CC1 308291569 573174086 /nfs/dbraw/zinc/17/40/86/573174086.db2.gz FDVANXWVMXKLCH-RKDXNWHRSA-N 0 0 198.335 2.113 10 30 AEEERN Fc1ccc(NCS)cc1 258565286 573174088 /nfs/dbraw/zinc/17/40/88/573174088.db2.gz CFIOAPIDGYIUDD-UHFFFAOYSA-N 0 0 157.213 2.125 10 30 AEEERN C=CC(=O)C1(OCC)CCCC1 159381972 573174321 /nfs/dbraw/zinc/17/43/21/573174321.db2.gz OOPOEHQBBCBVON-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN CC#CCC(=O)C1(OCC)CCCC1 159376197 573174419 /nfs/dbraw/zinc/17/44/19/573174419.db2.gz KAIYPROUSCZOED-UHFFFAOYSA-N 0 0 194.274 2.318 10 30 AEEERN CCC(=NNC[C@@H](C)C#N)C(C)C 308291696 573174447 /nfs/dbraw/zinc/17/44/47/573174447.db2.gz HNRPEMBJRTZRLW-VIFPVBQESA-N 0 0 181.283 2.158 10 30 AEEERN O/N=C(\Cl)c1ccc(Cl)nc1 115248845 573174492 /nfs/dbraw/zinc/17/44/92/573174492.db2.gz QYPBNVZSXIESTL-POHAHGRESA-N 0 0 191.017 2.110 10 30 AEEERN C=C[C@H](C)[C@@H](C=C)C(=S)NC 238304766 573174523 /nfs/dbraw/zinc/17/45/23/573174523.db2.gz LMRZOGXTWMCYOL-JGVFFNPUSA-N 0 0 169.293 2.158 10 30 AEEERN Cc1c(CC#N)cc2c(c1C)OCO2 257958145 573174593 /nfs/dbraw/zinc/17/45/93/573174593.db2.gz BMUXFJSRSPLQAS-UHFFFAOYSA-N 0 0 189.214 2.098 10 30 AEEERN C=C[C@H](C(=S)NC)[C@H](C)C=C 238304118 573174628 /nfs/dbraw/zinc/17/46/28/573174628.db2.gz LMRZOGXTWMCYOL-SFYZADRCSA-N 0 0 169.293 2.158 10 30 AEEERN CN1CC[C@@H](CC=O)c2ccccc21 238304884 573174662 /nfs/dbraw/zinc/17/46/62/573174662.db2.gz ZMJSQEFMYUXVPU-JTQLQIEISA-N 0 0 189.258 2.199 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc2c(c1)CCO2 259355749 573174742 /nfs/dbraw/zinc/17/47/42/573174742.db2.gz PWZMAIHPSAJXNW-HQJQHLMTSA-N 0 0 176.215 2.081 10 30 AEEERN CCc1cc(C#N)c2oncc2c1 238304643 573174806 /nfs/dbraw/zinc/17/48/06/573174806.db2.gz UEACHMDUVQFXHB-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN CCCc1cc2cnc(C#N)nc2o1 259355469 573174991 /nfs/dbraw/zinc/17/49/91/573174991.db2.gz MWOFNGBUMPXRNE-UHFFFAOYSA-N 0 0 187.202 2.047 10 30 AEEERN CCc1cccc(F)c1[C@H](N)CC#N 104675488 573175109 /nfs/dbraw/zinc/17/51/09/573175109.db2.gz FFRZSWBFCWFHDH-SNVBAGLBSA-N 0 0 192.237 2.302 10 30 AEEERN CCOCCON=C(C)[C@@H](C)CC 308292337 573175147 /nfs/dbraw/zinc/17/51/47/573175147.db2.gz FUZCVHSNKRMQOY-VIFPVBQESA-N 0 0 187.283 2.462 10 30 AEEERN CC(C)c1ccc([C@@H](O)CC=O)cc1 159367108 573175334 /nfs/dbraw/zinc/17/53/34/573175334.db2.gz LPSZEBCEBPVXGK-LBPRGKRZSA-N 0 0 192.258 2.432 10 30 AEEERN C[C@@H](C=O)Cc1cc(F)ccc1F 82762719 573175421 /nfs/dbraw/zinc/17/54/21/573175421.db2.gz FMAQIAKJAWVWKI-SSDOTTSWSA-N 0 0 184.185 2.342 10 30 AEEERN C[C@@H](C[C@H](O)CC=O)c1ccccc1 159356908 573175433 /nfs/dbraw/zinc/17/54/33/573175433.db2.gz MWWLJWDYIYNWMX-CMPLNLGQSA-N 0 0 192.258 2.130 10 30 AEEERN O=CCCc1ccc2c(c1)CCCO2 257960355 573175480 /nfs/dbraw/zinc/17/54/80/573175480.db2.gz BSTYZZJHGKVCEF-UHFFFAOYSA-N 0 0 190.242 2.143 10 30 AEEERN C#CCCC[C@@]1(O)CCCSCC1 642858155 573175682 /nfs/dbraw/zinc/17/56/82/573175682.db2.gz RIZCPQSWLUCIBW-LLVKDONJSA-N 0 0 198.331 2.438 10 30 AEEERN CCON=CCCC1CCOCC1 308293577 573175686 /nfs/dbraw/zinc/17/56/86/573175686.db2.gz GPKBVBIHOIOEJV-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN SC/C=C\Cn1cc(Cl)cn1 211670127 573175746 /nfs/dbraw/zinc/17/57/46/573175746.db2.gz DIWXIBFLYYYUKL-UPHRSURJSA-N 0 0 188.683 2.023 10 30 AEEERN C=CC(C)(C)[C@@H](C)C(=S)NC 238304679 573175748 /nfs/dbraw/zinc/17/57/48/573175748.db2.gz JEUMLJULTYQRIX-ZETCQYMHSA-N 0 0 171.309 2.382 10 30 AEEERN N#CCC1(C2CCCC2)COC1 258566269 573175781 /nfs/dbraw/zinc/17/57/81/573175781.db2.gz MTRCTKZOXGIBNR-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN O/N=C1/CCCc2ncc(Cl)cc21 306554095 573175841 /nfs/dbraw/zinc/17/58/41/573175841.db2.gz BVUGZUJJKDYODR-XFXZXTDPSA-N 0 0 196.637 2.250 10 30 AEEERN CCC(=O)c1ccn(CCCC#N)c1 85838395 573176024 /nfs/dbraw/zinc/17/60/24/573176024.db2.gz GYDZZNYZBGCCTP-UHFFFAOYSA-N 0 0 190.246 2.385 10 30 AEEERN CC(C)C[C@H](CC#N)NC[C@@H](C)C#N 308509357 573176159 /nfs/dbraw/zinc/17/61/59/573176159.db2.gz KEGGUQITYPOKLC-QWRGUYRKSA-N 0 0 193.294 2.064 10 30 AEEERN Cc1ncc2scc(CCC#N)n12 259352942 573176174 /nfs/dbraw/zinc/17/61/74/573176174.db2.gz GBGDPDCXRCJPEN-UHFFFAOYSA-N 0 0 191.259 2.160 10 30 AEEERN C=CC1([C@@H](O)CC)CCC1 238304982 573176227 /nfs/dbraw/zinc/17/62/27/573176227.db2.gz KSDQSJACJNIDQS-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN Cc1cccc(C[C@@H](C)C=O)c1 82762736 573176352 /nfs/dbraw/zinc/17/63/52/573176352.db2.gz MPZIDVUOWCUWBI-SNVBAGLBSA-N 0 0 162.232 2.373 10 30 AEEERN C=CC[C@@H]1CCCC[C@@H]1NC#N 642858218 573176358 /nfs/dbraw/zinc/17/63/58/573176358.db2.gz UAKPHFPVQUIDEC-ZJUUUORDSA-N 0 0 164.252 2.192 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc2c(c1)CCO2 259355756 573176366 /nfs/dbraw/zinc/17/63/66/573176366.db2.gz PWZMAIHPSAJXNW-WRWORJQWSA-N 0 0 176.215 2.081 10 30 AEEERN CC1C=C=C(COC(C)C)C(Cl)=N1 642859945 573176426 /nfs/dbraw/zinc/17/64/26/573176426.db2.gz IUGQOQHGEZSQGE-UHFFFAOYSA-N 0 0 198.673 2.020 10 30 AEEERN C=C[C@@H](C)[C@@H](C=C)C(=S)NC 238304775 573176577 /nfs/dbraw/zinc/17/65/77/573176577.db2.gz LMRZOGXTWMCYOL-HTQZYQBOSA-N 0 0 169.293 2.158 10 30 AEEERN O=CCCc1cc2c(cc1O)CCC2 257960393 573176613 /nfs/dbraw/zinc/17/66/13/573176613.db2.gz BUKVNTOLFYPVKW-UHFFFAOYSA-N 0 0 190.242 2.012 10 30 AEEERN CCCC(=O)O[C@H](CC#N)C(C)C 308293829 573176799 /nfs/dbraw/zinc/17/67/99/573176799.db2.gz JBBQDKDHKIYIHH-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN N#Cc1ccc2[nH]c3c(c2c1)COCC3 257960380 573176989 /nfs/dbraw/zinc/17/69/89/573176989.db2.gz BTTIXVOSFDVRRF-UHFFFAOYSA-N 0 0 198.225 2.112 10 30 AEEERN CCc1c(C#N)cccc1CC(C)=O 306566208 573177124 /nfs/dbraw/zinc/17/71/24/573177124.db2.gz RVMHKQLZIAIFQK-UHFFFAOYSA-N 0 0 187.242 2.252 10 30 AEEERN CCO[C@H]1C[C@H]2CC=CC[C@@H]2[C@@H]1C=O 238304954 573177159 /nfs/dbraw/zinc/17/71/59/573177159.db2.gz NHQSQJQYZQCXIZ-RHYQMDGZSA-N 0 0 194.274 2.193 10 30 AEEERN Cc1nc(C2CC2)c2cc(C#N)oc2n1 259355362 573177173 /nfs/dbraw/zinc/17/71/73/573177173.db2.gz MTUVXTYXYBJRJH-UHFFFAOYSA-N 0 0 199.213 2.280 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc2c(c1)CCO2 259355747 573177181 /nfs/dbraw/zinc/17/71/81/573177181.db2.gz PWZMAIHPSAJXNW-CPCISQLKSA-N 0 0 176.215 2.081 10 30 AEEERN C[C@@H](O)c1cccc(SCC#N)c1 82761883 573177201 /nfs/dbraw/zinc/17/72/01/573177201.db2.gz ILAOKPXYMYIUJU-MRVPVSSYSA-N 0 0 193.271 2.356 10 30 AEEERN C[C@@H]1CC[C@](O)(CC#N)[C@H](C)C1 85879292 573177344 /nfs/dbraw/zinc/17/73/44/573177344.db2.gz FJJONUNQHZEWED-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CCCC(=O)O[C@@H](CC#N)C(C)C 308293830 573177410 /nfs/dbraw/zinc/17/74/10/573177410.db2.gz JBBQDKDHKIYIHH-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN CCCn1c(C#N)cnc1CC(C)C 259352988 573177427 /nfs/dbraw/zinc/17/74/27/573177427.db2.gz MSYJXTUVHCQHJF-UHFFFAOYSA-N 0 0 191.278 2.363 10 30 AEEERN N#Cc1sc2cc(O)ccc2c1N 260072257 573177435 /nfs/dbraw/zinc/17/74/35/573177435.db2.gz PTYFUFBSCBQQSQ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN Cc1ccc(C)c([C@@](C)(O)CC#N)c1 85877848 573177460 /nfs/dbraw/zinc/17/74/60/573177460.db2.gz CLLZWOJQCSQSHO-LBPRGKRZSA-N 0 0 189.258 2.425 10 30 AEEERN Cc1ccc([C@](C)(O)CC#N)cc1C 85877827 573177524 /nfs/dbraw/zinc/17/75/24/573177524.db2.gz GAMNMYFARCOITE-GFCCVEGCSA-N 0 0 189.258 2.425 10 30 AEEERN CC1(C)CCC[C@](O)(CC#N)C1 85879166 573177536 /nfs/dbraw/zinc/17/75/36/573177536.db2.gz ISWWPFWYYVCEGZ-JTQLQIEISA-N 0 0 167.252 2.231 10 30 AEEERN O=CC(F)(F)C[C@H]1CCCS1 257962136 573181270 /nfs/dbraw/zinc/18/12/70/573181270.db2.gz XLPZRCXXTQAKHB-ZCFIWIBFSA-N 0 0 180.219 2.106 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@](O)(CC#N)C1 85877400 573177546 /nfs/dbraw/zinc/17/75/46/573177546.db2.gz QSTPJXRVTWXSFE-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN C#CCN(CC=C)c1ccc(C=O)cc1 308809437 573177549 /nfs/dbraw/zinc/17/75/49/573177549.db2.gz GTTGGEJQJDBVPH-UHFFFAOYSA-N 0 0 199.253 2.125 10 30 AEEERN CC(C)(CO)c1ccccc1CC#N 259352886 573177577 /nfs/dbraw/zinc/17/75/77/573177577.db2.gz IBFSEUQNSKWNFO-UHFFFAOYSA-N 0 0 189.258 2.023 10 30 AEEERN Cc1cc(C)cc([C@@H](O)CC#N)c1 85878772 573177587 /nfs/dbraw/zinc/17/75/87/573177587.db2.gz NNXMVISZDFQXIF-NSHDSACASA-N 0 0 175.231 2.251 10 30 AEEERN C[C@H]1C[C@H](C)CC(O)(CC#N)C1 85879223 573177639 /nfs/dbraw/zinc/17/76/39/573177639.db2.gz XVSGFZYXCNHIMT-IUCAKERBSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H](C=O)Cc1ccc(F)c(F)c1 82762750 573177651 /nfs/dbraw/zinc/17/76/51/573177651.db2.gz AFYHXAVIPAAXCX-ZETCQYMHSA-N 0 0 184.185 2.342 10 30 AEEERN C[C@@H](F)Cc1ccccc1C#N 257959995 573177730 /nfs/dbraw/zinc/17/77/30/573177730.db2.gz GULISTSPACHPKH-MRVPVSSYSA-N 0 0 163.195 2.459 10 30 AEEERN CC[C@H]1CCCC[C@@]1(O)CC#N 85879150 573177744 /nfs/dbraw/zinc/17/77/44/573177744.db2.gz MUJJKAUMYBBQGM-VHSXEESVSA-N 0 0 167.252 2.231 10 30 AEEERN Cc1ccc([C@H](O)CCC=O)cc1C 308510109 573177775 /nfs/dbraw/zinc/17/77/75/573177775.db2.gz BOKMMDDDXHELSZ-GFCCVEGCSA-N 0 0 192.258 2.316 10 30 AEEERN CC(C)C[C@@H](CC#N)NC[C@@H](C)C#N 308509358 573177782 /nfs/dbraw/zinc/17/77/82/573177782.db2.gz KEGGUQITYPOKLC-WDEREUQCSA-N 0 0 193.294 2.064 10 30 AEEERN Cc1cc([C@@H](O)CC#N)c(C)s1 85878843 573177873 /nfs/dbraw/zinc/17/78/73/573177873.db2.gz LZEGVPGGORAIGF-VIFPVBQESA-N 0 0 181.260 2.312 10 30 AEEERN N#CC[C@@H](O)c1cc2ccccc2o1 85878585 573177890 /nfs/dbraw/zinc/17/78/90/573177890.db2.gz LBAZYOFUZGVURW-SECBINFHSA-N 0 0 187.198 2.380 10 30 AEEERN C[C@H](F)Cc1ccccc1C#N 257959996 573177894 /nfs/dbraw/zinc/17/78/94/573177894.db2.gz GULISTSPACHPKH-QMMMGPOBSA-N 0 0 163.195 2.459 10 30 AEEERN CCOc1ccc([C@@H](O)CC#N)cc1 85878033 573177940 /nfs/dbraw/zinc/17/79/40/573177940.db2.gz RHZMBZRADGIKEM-NSHDSACASA-N 0 0 191.230 2.032 10 30 AEEERN N#CC[C@@]1(O)CCCc2ccccc21 85877513 573177995 /nfs/dbraw/zinc/17/79/95/573177995.db2.gz PSCINYGCZSGCPG-LBPRGKRZSA-N 0 0 187.242 2.124 10 30 AEEERN C[C@@H](C=O)Cc1ccc(F)c(F)c1 82762751 573178010 /nfs/dbraw/zinc/17/80/10/573178010.db2.gz AFYHXAVIPAAXCX-SSDOTTSWSA-N 0 0 184.185 2.342 10 30 AEEERN Cc1ccc(C)c([C@](C)(O)CC#N)c1 85877842 573178014 /nfs/dbraw/zinc/17/80/14/573178014.db2.gz CLLZWOJQCSQSHO-GFCCVEGCSA-N 0 0 189.258 2.425 10 30 AEEERN COCC(C)=NOCCC(C)(C)C 308293925 573178030 /nfs/dbraw/zinc/17/80/30/573178030.db2.gz GUENXPXMSMEWSX-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN Cc1ccsc1[C@](C)(O)CC#N 85878978 573178040 /nfs/dbraw/zinc/17/80/40/573178040.db2.gz WNKRCOOTKSQWEC-SECBINFHSA-N 0 0 181.260 2.178 10 30 AEEERN C[C@](O)(CC#N)c1cccc(Cl)c1 85877621 573179363 /nfs/dbraw/zinc/17/93/63/573179363.db2.gz VIJZTNQAJGIOPJ-JTQLQIEISA-N 0 0 195.649 2.461 10 30 AEEERN N#CC[C@]1(O)CCC[C@@H](C2CC2)C1 85879206 573178102 /nfs/dbraw/zinc/17/81/02/573178102.db2.gz PKLUBGAAUXOJGJ-GHMZBOCLSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H]1CC(C)(C)C[C@](O)(CC#N)C1 85877404 573178150 /nfs/dbraw/zinc/17/81/50/573178150.db2.gz QSTPJXRVTWXSFE-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN CSc1cccc(O)c1CCC=O 257960358 573178181 /nfs/dbraw/zinc/17/81/81/573178181.db2.gz BSYNYSQOWPITEO-UHFFFAOYSA-N 0 0 196.271 2.246 10 30 AEEERN CCc1cccc(C)c1NCC=O 258568813 573178184 /nfs/dbraw/zinc/17/81/84/573178184.db2.gz CSPRMKDIQWKNAW-UHFFFAOYSA-N 0 0 177.247 2.168 10 30 AEEERN CC(C)C1CCC(O)(CC#N)CC1 85877879 573178221 /nfs/dbraw/zinc/17/82/21/573178221.db2.gz CAHBVEHEYPQNCQ-UHFFFAOYSA-N 0 0 181.279 2.477 10 30 AEEERN C#CCCOC(=O)[C@@H](C)[C@@H](C)C=C 308251510 573178265 /nfs/dbraw/zinc/17/82/65/573178265.db2.gz HPRNLVVGDQQKJE-UWVGGRQHSA-N 0 0 180.247 2.011 10 30 AEEERN Cc1ccsc1[C@@](C)(O)CC#N 85878980 573178286 /nfs/dbraw/zinc/17/82/86/573178286.db2.gz WNKRCOOTKSQWEC-VIFPVBQESA-N 0 0 181.260 2.178 10 30 AEEERN CCc1ccccc1[C@H](O)CC#N 85878820 573178321 /nfs/dbraw/zinc/17/83/21/573178321.db2.gz BCMMRZCQXSNBDX-LLVKDONJSA-N 0 0 175.231 2.196 10 30 AEEERN C[C@@](O)(CC#N)c1cccc(Cl)c1 85877616 573178327 /nfs/dbraw/zinc/17/83/27/573178327.db2.gz VIJZTNQAJGIOPJ-SNVBAGLBSA-N 0 0 195.649 2.461 10 30 AEEERN Cc1cc([C@@H](O)CC#N)ccc1F 85878765 573178360 /nfs/dbraw/zinc/17/83/60/573178360.db2.gz XAVOZEUCSGATJP-JTQLQIEISA-N 0 0 179.194 2.081 10 30 AEEERN Cc1cc(F)ccc1[C@H](O)CC#N 85878803 573178368 /nfs/dbraw/zinc/17/83/68/573178368.db2.gz GRSLIJHBIQFTGT-SNVBAGLBSA-N 0 0 179.194 2.081 10 30 AEEERN C[C@H]1C[C@@](O)(CC#N)CC[C@H]1C 85879235 573178443 /nfs/dbraw/zinc/17/84/43/573178443.db2.gz KCNAVGNSNPOBBD-UTLUCORTSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1ccc([C@@H](O)CC#N)cc1F 85878708 573178467 /nfs/dbraw/zinc/17/84/67/573178467.db2.gz IOYPAXMRJCSUKE-JTQLQIEISA-N 0 0 179.194 2.081 10 30 AEEERN C[C@H]1CCC[C@@](O)(CC#N)CC1 85879486 573178521 /nfs/dbraw/zinc/17/85/21/573178521.db2.gz FKPLLUAKRNIJEG-UWVGGRQHSA-N 0 0 167.252 2.231 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@](O)(CC#N)C1 85879330 573178529 /nfs/dbraw/zinc/17/85/29/573178529.db2.gz BCWVLBYECHBVJP-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@](O)(CC#N)c1ccccc1Cl 85877635 573178554 /nfs/dbraw/zinc/17/85/54/573178554.db2.gz YACRSUUANGCLSM-JTQLQIEISA-N 0 0 195.649 2.461 10 30 AEEERN N#CC[C@H](O)c1ccc(Cl)c(F)c1 85878756 573179073 /nfs/dbraw/zinc/17/90/73/573179073.db2.gz YKZSJTRYHZFBKD-VIFPVBQESA-N 0 0 199.612 2.426 10 30 AEEERN C#CC[C@H](C)OC(=O)C(C)(C)CC 308292685 573178584 /nfs/dbraw/zinc/17/85/84/573178584.db2.gz IDQAHISTHPSQHQ-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN Cc1ccc([C@H](O)CC#N)cc1F 85878704 573178629 /nfs/dbraw/zinc/17/86/29/573178629.db2.gz IOYPAXMRJCSUKE-SNVBAGLBSA-N 0 0 179.194 2.081 10 30 AEEERN C#CCCC(=O)C1(OC)CCCCC1 159390145 573178654 /nfs/dbraw/zinc/17/86/54/573178654.db2.gz HDAYIQZHIMAOCS-UHFFFAOYSA-N 0 0 194.274 2.318 10 30 AEEERN C[C@H](O)c1cccc(SCC#N)c1 82761882 573178662 /nfs/dbraw/zinc/17/86/62/573178662.db2.gz ILAOKPXYMYIUJU-QMMMGPOBSA-N 0 0 193.271 2.356 10 30 AEEERN Cc1ccc([C@@H](O)CCC=O)cc1C 308510110 573178709 /nfs/dbraw/zinc/17/87/09/573178709.db2.gz BOKMMDDDXHELSZ-LBPRGKRZSA-N 0 0 192.258 2.316 10 30 AEEERN CCO[C@@H](C)C1=C(C)CCC1=O 238305275 573178733 /nfs/dbraw/zinc/17/87/33/573178733.db2.gz GVCNMCPDAQWOQD-QMMMGPOBSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1ccsc1[C@H](O)CC#N 85878411 573179539 /nfs/dbraw/zinc/17/95/39/573179539.db2.gz HDPLIPIGZRFENH-SSDOTTSWSA-N 0 0 167.233 2.004 10 30 AEEERN Cc1ccccc1[C@](C)(O)CC#N 85877549 573178834 /nfs/dbraw/zinc/17/88/34/573178834.db2.gz NYJFFCSODOCGIJ-LLVKDONJSA-N 0 0 175.231 2.116 10 30 AEEERN CCOCCON=C(C)[C@H](C)CC 308292332 573178886 /nfs/dbraw/zinc/17/88/86/573178886.db2.gz FUZCVHSNKRMQOY-SECBINFHSA-N 0 0 187.283 2.462 10 30 AEEERN Cc1ccccc1[C@@](C)(O)CC#N 85877553 573178926 /nfs/dbraw/zinc/17/89/26/573178926.db2.gz NYJFFCSODOCGIJ-NSHDSACASA-N 0 0 175.231 2.116 10 30 AEEERN C[C@H]1CC[C@@H](C)C[C@@]1(O)CC#N 85879319 573178942 /nfs/dbraw/zinc/17/89/42/573178942.db2.gz BCWVLBYECHBVJP-UTLUCORTSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@](O)(CC#N)C1 85877415 573178961 /nfs/dbraw/zinc/17/89/61/573178961.db2.gz QSTPJXRVTWXSFE-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C=O)Cc1cc(F)ccc1F 82762718 573178973 /nfs/dbraw/zinc/17/89/73/573178973.db2.gz FMAQIAKJAWVWKI-ZETCQYMHSA-N 0 0 184.185 2.342 10 30 AEEERN C[C@H]1CCC[C@](O)(CC#N)CC1 85879478 573179040 /nfs/dbraw/zinc/17/90/40/573179040.db2.gz FKPLLUAKRNIJEG-VHSXEESVSA-N 0 0 167.252 2.231 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@](O)(CC#N)C1 85877410 573179127 /nfs/dbraw/zinc/17/91/27/573179127.db2.gz QSTPJXRVTWXSFE-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@](C)(O)CC#N)cc1 85877538 573179135 /nfs/dbraw/zinc/17/91/35/573179135.db2.gz NEYKMXJDTAFSKI-LLVKDONJSA-N 0 0 175.231 2.116 10 30 AEEERN C[C@@H]1CCC[C@@](O)(CC#N)CC1 85879482 573179203 /nfs/dbraw/zinc/17/92/03/573179203.db2.gz FKPLLUAKRNIJEG-ZJUUUORDSA-N 0 0 167.252 2.231 10 30 AEEERN CC(C)C[C@H](CC#N)NC[C@H](C)C#N 308509356 573179258 /nfs/dbraw/zinc/17/92/58/573179258.db2.gz KEGGUQITYPOKLC-MNOVXSKESA-N 0 0 193.294 2.064 10 30 AEEERN C#CCN(C)c1c(C)cc(O)cc1C 238306050 573179273 /nfs/dbraw/zinc/17/92/73/573179273.db2.gz PTBQVPFUSFRWLO-UHFFFAOYSA-N 0 0 189.258 2.078 10 30 AEEERN O=C1C2=CCC[C@H]2[C@@H]2CCC[C@H]12 197164484 573179342 /nfs/dbraw/zinc/17/93/42/573179342.db2.gz LZIHGVOZYSKQSC-NRPADANISA-N 0 0 162.232 2.322 10 30 AEEERN Cc1cc(F)ccc1[C@@H](O)CC#N 85878814 573179373 /nfs/dbraw/zinc/17/93/73/573179373.db2.gz GRSLIJHBIQFTGT-JTQLQIEISA-N 0 0 179.194 2.081 10 30 AEEERN C[C@@H](C[C@H](O)CC#N)c1ccccc1 85878894 573179417 /nfs/dbraw/zinc/17/94/17/573179417.db2.gz MRFXVBSTNLLPDB-CMPLNLGQSA-N 0 0 189.258 2.455 10 30 AEEERN CCc1ccc([C@H](O)CC#N)cc1 85878422 573179437 /nfs/dbraw/zinc/17/94/37/573179437.db2.gz JAXJMSLMVTZTHF-LLVKDONJSA-N 0 0 175.231 2.196 10 30 AEEERN C=C[C@@](C)(C#C[Si](C)(C)C)CO 197162058 573179448 /nfs/dbraw/zinc/17/94/48/573179448.db2.gz BOEXPPDHMURRGM-JTQLQIEISA-N 0 0 182.339 2.052 10 30 AEEERN Cc1ccc([C@@](C)(O)CC#N)cc1C 85877836 573179465 /nfs/dbraw/zinc/17/94/65/573179465.db2.gz GAMNMYFARCOITE-LBPRGKRZSA-N 0 0 189.258 2.425 10 30 AEEERN C#CC[C@@H](C)OC(=O)C(C)(C)CC 308292684 573179468 /nfs/dbraw/zinc/17/94/68/573179468.db2.gz IDQAHISTHPSQHQ-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN Cc1cccc(C[C@H](C)C=O)c1 82762737 573179560 /nfs/dbraw/zinc/17/95/60/573179560.db2.gz MPZIDVUOWCUWBI-JTQLQIEISA-N 0 0 162.232 2.373 10 30 AEEERN Cc1ccc([C@H](O)CC#N)s1 85878462 573179674 /nfs/dbraw/zinc/17/96/74/573179674.db2.gz OPLDCXHUMVPZMO-SSDOTTSWSA-N 0 0 167.233 2.004 10 30 AEEERN C=C(C)[C@@](C)(C#C[Si](C)(C)C)CO 197162088 573179703 /nfs/dbraw/zinc/17/97/03/573179703.db2.gz PSICCDVLICPMQV-NSHDSACASA-N 0 0 196.366 2.442 10 30 AEEERN C[C@@H]1CCC[C@@](O)(CC#N)[C@@H]1C 85879280 573179958 /nfs/dbraw/zinc/17/99/58/573179958.db2.gz XEZVLUUGDFIARK-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC1(C)CCC[C@@](O)(CC#N)C1 85879171 573179810 /nfs/dbraw/zinc/17/98/10/573179810.db2.gz ISWWPFWYYVCEGZ-SNVBAGLBSA-N 0 0 167.252 2.231 10 30 AEEERN N#CC[C@@]1(O)CCC[C@H](C2CC2)C1 85879210 573179824 /nfs/dbraw/zinc/17/98/24/573179824.db2.gz PKLUBGAAUXOJGJ-QWRGUYRKSA-N 0 0 179.263 2.231 10 30 AEEERN CCc1ccc([C@@](C)(O)CC#N)cc1 85877824 573180123 /nfs/dbraw/zinc/18/01/23/573180123.db2.gz DUHCUBXMJZXGDX-LBPRGKRZSA-N 0 0 189.258 2.370 10 30 AEEERN Cc1nc(C)c2cc(C#N)sc2n1 259358275 573179912 /nfs/dbraw/zinc/17/99/12/573179912.db2.gz MZUJHDWWCYBBDQ-UHFFFAOYSA-N 0 0 189.243 2.180 10 30 AEEERN C=C(C)c1c(C)cnn1CC 259357627 573179921 /nfs/dbraw/zinc/17/99/21/573179921.db2.gz PVGUFEARRPUQDA-UHFFFAOYSA-N 0 0 150.225 2.245 10 30 AEEERN Cc1ccc([C@@H](O)CC#N)s1 85878472 573179930 /nfs/dbraw/zinc/17/99/30/573179930.db2.gz OPLDCXHUMVPZMO-ZETCQYMHSA-N 0 0 167.233 2.004 10 30 AEEERN Cc1ccc([C@@](C)(O)CC#N)cc1 85877543 573179938 /nfs/dbraw/zinc/17/99/38/573179938.db2.gz NEYKMXJDTAFSKI-NSHDSACASA-N 0 0 175.231 2.116 10 30 AEEERN C[C@@](O)(CC#N)c1ccc(Cl)cc1 85877606 573179995 /nfs/dbraw/zinc/17/99/95/573179995.db2.gz OYUOJLMPIUDXNC-SNVBAGLBSA-N 0 0 195.649 2.461 10 30 AEEERN C=CCC[C@H](NCC)C(F)(F)F 129012716 573180037 /nfs/dbraw/zinc/18/00/37/573180037.db2.gz YIEDAPGHVAMOEU-ZETCQYMHSA-N 0 0 181.201 2.493 10 30 AEEERN C=C1C(C)=C(C)[C@@]1(C)C(=S)NC 238305157 573180078 /nfs/dbraw/zinc/18/00/78/573180078.db2.gz OEZXRTHJXNRWPM-JTQLQIEISA-N 0 0 181.304 2.446 10 30 AEEERN Cc1ccc([C@@H](O)CC#N)c(C)c1 85878504 573180094 /nfs/dbraw/zinc/18/00/94/573180094.db2.gz AMWIWIAXVDSMMK-NSHDSACASA-N 0 0 175.231 2.251 10 30 AEEERN N#CC[C@]1(O)CCCc2ccccc21 85877523 573180129 /nfs/dbraw/zinc/18/01/29/573180129.db2.gz PSCINYGCZSGCPG-GFCCVEGCSA-N 0 0 187.242 2.124 10 30 AEEERN Cc1cc([C@H](O)CC#N)c(C)s1 85878839 573180168 /nfs/dbraw/zinc/18/01/68/573180168.db2.gz LZEGVPGGORAIGF-SECBINFHSA-N 0 0 181.260 2.312 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc([C@H](O)CC#N)o1 85878561 573180232 /nfs/dbraw/zinc/18/02/32/573180232.db2.gz BEVORGFJRDIXIJ-HRDYMLBCSA-N 0 0 191.230 2.350 10 30 AEEERN C[C@@](O)(CC#N)c1ccccc1Cl 85877627 573180256 /nfs/dbraw/zinc/18/02/56/573180256.db2.gz YACRSUUANGCLSM-SNVBAGLBSA-N 0 0 195.649 2.461 10 30 AEEERN C=C(COCC)C1(O)CCCCC1 387530387 573180304 /nfs/dbraw/zinc/18/03/04/573180304.db2.gz BZCFPEOONKPECX-UHFFFAOYSA-N 0 0 184.279 2.274 10 30 AEEERN N#CC[C@@H](O)c1ccc(Cl)c(F)c1 85878752 573180309 /nfs/dbraw/zinc/18/03/09/573180309.db2.gz YKZSJTRYHZFBKD-SECBINFHSA-N 0 0 199.612 2.426 10 30 AEEERN Cc1ccc(C)c([C@H](O)CC#N)c1 85878510 573180313 /nfs/dbraw/zinc/18/03/13/573180313.db2.gz XYAUSYQDJKLKOY-LLVKDONJSA-N 0 0 175.231 2.251 10 30 AEEERN C[C@H](C#N)c1cnn(-c2ccccc2)c1 129012501 573180319 /nfs/dbraw/zinc/18/03/19/573180319.db2.gz YONMDSOMPUWWGF-SNVBAGLBSA-N 0 0 197.241 2.499 10 30 AEEERN Cc1ccsc1[C@@H](O)CC#N 85878415 573180330 /nfs/dbraw/zinc/18/03/30/573180330.db2.gz HDPLIPIGZRFENH-ZETCQYMHSA-N 0 0 167.233 2.004 10 30 AEEERN CCn1nc(C(C)C)cc1[C@H]1CO1 238305753 573180332 /nfs/dbraw/zinc/18/03/32/573180332.db2.gz YMAROUMIWWMGHQ-SNVBAGLBSA-N 0 0 180.251 2.098 10 30 AEEERN C[C@@H]1C[C@@H](C)CC(O)(CC#N)C1 85879229 573180809 /nfs/dbraw/zinc/18/08/09/573180809.db2.gz XVSGFZYXCNHIMT-RKDXNWHRSA-N 0 0 167.252 2.087 10 30 AEEERN CC1(C)CCC(O)(CC#N)CC1 85879153 573180394 /nfs/dbraw/zinc/18/03/94/573180394.db2.gz NKWLGFBZDANZBY-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN C[C@H]1C[C@](O)(CC#N)CC[C@H]1C 85879257 573180442 /nfs/dbraw/zinc/18/04/42/573180442.db2.gz KCNAVGNSNPOBBD-KXUCPTDWSA-N 0 0 167.252 2.087 10 30 AEEERN CCc1ccc([C@@H](O)CC#N)s1 85878790 573180433 /nfs/dbraw/zinc/18/04/33/573180433.db2.gz LQTSIPKRGYLKNP-QMMMGPOBSA-N 0 0 181.260 2.258 10 30 AEEERN N#CC[C@@H](O)c1ccc(Cl)s1 85878665 573180448 /nfs/dbraw/zinc/18/04/48/573180448.db2.gz XXNNPTMMLZFRCR-RXMQYKEDSA-N 0 0 187.651 2.349 10 30 AEEERN CC[C@H](O)CC#CCc1ccccc1 238305840 573180468 /nfs/dbraw/zinc/18/04/68/573180468.db2.gz MIURUMQTPSDBPP-ZDUSSCGKSA-N 0 0 188.270 2.394 10 30 AEEERN CCOCCON=C1C[C@H](C)[C@H]1C 393507517 573180476 /nfs/dbraw/zinc/18/04/76/573180476.db2.gz XSSXJENUFWNXMB-DTWKUNHWSA-N 0 0 185.267 2.071 10 30 AEEERN C[C@H](C=O)Cc1cccc(F)c1 82762766 573180556 /nfs/dbraw/zinc/18/05/56/573180556.db2.gz AJFICYLCPMNFDQ-QMMMGPOBSA-N 0 0 166.195 2.203 10 30 AEEERN N#CC[C@@]1(O)CCC[C@@H](C2CC2)C1 85879213 573180559 /nfs/dbraw/zinc/18/05/59/573180559.db2.gz PKLUBGAAUXOJGJ-MNOVXSKESA-N 0 0 179.263 2.231 10 30 AEEERN Cc1ccc(C)c([C@@H](O)CC#N)c1 85878513 573180573 /nfs/dbraw/zinc/18/05/73/573180573.db2.gz XYAUSYQDJKLKOY-NSHDSACASA-N 0 0 175.231 2.251 10 30 AEEERN Cc1cccc([C@H](O)CC#N)c1C 85878580 573180587 /nfs/dbraw/zinc/18/05/87/573180587.db2.gz PQUPAJYZGDWSSX-LLVKDONJSA-N 0 0 175.231 2.251 10 30 AEEERN N#CC[C@]1(O)CCC[C@H](C2CC2)C1 85879202 573180601 /nfs/dbraw/zinc/18/06/01/573180601.db2.gz PKLUBGAAUXOJGJ-WDEREUQCSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@H]1CCC[C@@](O)(CC#N)C1 85879136 573180628 /nfs/dbraw/zinc/18/06/28/573180628.db2.gz WMVCQOHLRNSNTC-VHSXEESVSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H]1CCC[C@](O)(CC#N)C1 85879101 573180640 /nfs/dbraw/zinc/18/06/40/573180640.db2.gz WMVCQOHLRNSNTC-ZJUUUORDSA-N 0 0 167.252 2.231 10 30 AEEERN C#CCCCC(=O)OCC1(C)CC1 308294685 573180641 /nfs/dbraw/zinc/18/06/41/573180641.db2.gz JKTUDCFWDKPLOR-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN N#C[C@@H]1NCCc2cc3ccoc3cc21 259603030 573180652 /nfs/dbraw/zinc/18/06/52/573180652.db2.gz GFXGIHDQCRXMCL-NSHDSACASA-N 0 0 198.225 2.143 10 30 AEEERN CC[C@H]1CCCC[C@]1(O)CC#N 85879145 573180753 /nfs/dbraw/zinc/18/07/53/573180753.db2.gz MUJJKAUMYBBQGM-UWVGGRQHSA-N 0 0 167.252 2.231 10 30 AEEERN CCc1ccc([C@@H](O)CC#N)cc1 85878427 573180757 /nfs/dbraw/zinc/18/07/57/573180757.db2.gz JAXJMSLMVTZTHF-NSHDSACASA-N 0 0 175.231 2.196 10 30 AEEERN CCc1ccc([C@H](O)CC#N)s1 85878785 573180825 /nfs/dbraw/zinc/18/08/25/573180825.db2.gz LQTSIPKRGYLKNP-MRVPVSSYSA-N 0 0 181.260 2.258 10 30 AEEERN C=CC[C@@H]1CCC[C@@H]1NC(=O)CC 308296324 573180852 /nfs/dbraw/zinc/18/08/52/573180852.db2.gz KCGRUWLDEFZFRT-ZJUUUORDSA-N 0 0 181.279 2.257 10 30 AEEERN C[C@@H](C=O)Cc1cccc(F)c1F 82762923 573180873 /nfs/dbraw/zinc/18/08/73/573180873.db2.gz XBMSRFBSJKUCIJ-SSDOTTSWSA-N 0 0 184.185 2.342 10 30 AEEERN N#CC[C@H](O)c1c(F)cccc1Cl 85878328 573180911 /nfs/dbraw/zinc/18/09/11/573180911.db2.gz SVXQYKOFFNAACR-QMMMGPOBSA-N 0 0 199.612 2.426 10 30 AEEERN CCc1ccc([C@](C)(O)CC#N)cc1 85877817 573180922 /nfs/dbraw/zinc/18/09/22/573180922.db2.gz DUHCUBXMJZXGDX-GFCCVEGCSA-N 0 0 189.258 2.370 10 30 AEEERN N#CC[C@@H](O)c1c(F)cccc1Cl 85878324 573180965 /nfs/dbraw/zinc/18/09/65/573180965.db2.gz SVXQYKOFFNAACR-MRVPVSSYSA-N 0 0 199.612 2.426 10 30 AEEERN C[C@@H](C#N)c1cnn(-c2ccccc2)c1 129012303 573180989 /nfs/dbraw/zinc/18/09/89/573180989.db2.gz YONMDSOMPUWWGF-JTQLQIEISA-N 0 0 197.241 2.499 10 30 AEEERN CCO[C@@H](C)C1=CC(=O)CCC1 238305286 573180991 /nfs/dbraw/zinc/18/09/91/573180991.db2.gz JGIUDSJLWLIZTA-QMMMGPOBSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@](O)(CC#N)c1ccc(Cl)cc1 85877610 573181006 /nfs/dbraw/zinc/18/10/06/573181006.db2.gz OYUOJLMPIUDXNC-JTQLQIEISA-N 0 0 195.649 2.461 10 30 AEEERN Cc1cc([C@H](O)CC#N)ccc1F 85878760 573181024 /nfs/dbraw/zinc/18/10/24/573181024.db2.gz XAVOZEUCSGATJP-SNVBAGLBSA-N 0 0 179.194 2.081 10 30 AEEERN C[C@@H]1CC[C@@](O)(CC#N)[C@H](C)C1 85879307 573181036 /nfs/dbraw/zinc/18/10/36/573181036.db2.gz FJJONUNQHZEWED-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H]1CCC[C@](O)(CC#N)C1 85879106 573181079 /nfs/dbraw/zinc/18/10/79/573181079.db2.gz WMVCQOHLRNSNTC-UWVGGRQHSA-N 0 0 167.252 2.231 10 30 AEEERN O=CCc1coc(C2CCCCC2)n1 257961289 573181088 /nfs/dbraw/zinc/18/10/88/573181088.db2.gz GJAWCUNTYKELTG-UHFFFAOYSA-N 0 0 193.246 2.464 10 30 AEEERN CC[C@@H]1CCC[C@@](O)(CC#N)C1 85879133 573181102 /nfs/dbraw/zinc/18/11/02/573181102.db2.gz WMVCQOHLRNSNTC-NXEZZACHSA-N 0 0 167.252 2.231 10 30 AEEERN N#CC[C@H](O)c1ccc(Cl)s1 85878671 573181124 /nfs/dbraw/zinc/18/11/24/573181124.db2.gz XXNNPTMMLZFRCR-YFKPBYRVSA-N 0 0 187.651 2.349 10 30 AEEERN C[C@@H]1CCC[C@](O)(CC#N)CC1 85879473 573181168 /nfs/dbraw/zinc/18/11/68/573181168.db2.gz FKPLLUAKRNIJEG-NXEZZACHSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H]1CCCC[C@]1(O)CC#N 85879139 573181193 /nfs/dbraw/zinc/18/11/93/573181193.db2.gz MUJJKAUMYBBQGM-ZJUUUORDSA-N 0 0 167.252 2.231 10 30 AEEERN CCC1CCC(O)(CC#N)CC1 85877425 573181214 /nfs/dbraw/zinc/18/12/14/573181214.db2.gz VBNWXKZBPYLCHT-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN CCn1nc(C(C)C)cc1[C@@H]1CO1 238305724 573181230 /nfs/dbraw/zinc/18/12/30/573181230.db2.gz YMAROUMIWWMGHQ-JTQLQIEISA-N 0 0 180.251 2.098 10 30 AEEERN C[C@@H]1C[C@@]1(C)OC(=O)CCCC#N 308296268 573181231 /nfs/dbraw/zinc/18/12/31/573181231.db2.gz JZYHHNYCTQAXMR-PSASIEDQSA-N 0 0 181.235 2.022 10 30 AEEERN N#CC[C@H](O)c1cc2ccccc2o1 85878589 573181235 /nfs/dbraw/zinc/18/12/35/573181235.db2.gz LBAZYOFUZGVURW-VIFPVBQESA-N 0 0 187.198 2.380 10 30 AEEERN C[C@@H](C=O)Cc1ccccc1F 82762831 573181247 /nfs/dbraw/zinc/18/12/47/573181247.db2.gz LQICZDYAOWVGND-MRVPVSSYSA-N 0 0 166.195 2.203 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc([C@H](O)CC#N)o1 85878572 573181291 /nfs/dbraw/zinc/18/12/91/573181291.db2.gz BEVORGFJRDIXIJ-IWSPIJDZSA-N 0 0 191.230 2.350 10 30 AEEERN CCc1ccccc1[C@@H](O)CC#N 85878825 573181310 /nfs/dbraw/zinc/18/13/10/573181310.db2.gz BCMMRZCQXSNBDX-NSHDSACASA-N 0 0 175.231 2.196 10 30 AEEERN C[C@@H](C=O)Cc1cccc(F)c1 82762767 573181363 /nfs/dbraw/zinc/18/13/63/573181363.db2.gz AJFICYLCPMNFDQ-MRVPVSSYSA-N 0 0 166.195 2.203 10 30 AEEERN C=CCCC[C@@H](C)C=O 82762905 573181370 /nfs/dbraw/zinc/18/13/70/573181370.db2.gz OORUMIIDKDTTNO-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C[C@@H]1CCC[C@](O)(CC#N)[C@@H]1C 85879269 573181394 /nfs/dbraw/zinc/18/13/94/573181394.db2.gz XEZVLUUGDFIARK-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(O)CC#N 85879148 573181416 /nfs/dbraw/zinc/18/14/16/573181416.db2.gz MUJJKAUMYBBQGM-NXEZZACHSA-N 0 0 167.252 2.231 10 30 AEEERN Cc1coc2cc(CC=O)ccc12 257960463 573181455 /nfs/dbraw/zinc/18/14/55/573181455.db2.gz FQNNGSRGMACQAW-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN Cc1ccc([C@H](O)CC#N)c(C)c1 85878499 573181479 /nfs/dbraw/zinc/18/14/79/573181479.db2.gz AMWIWIAXVDSMMK-LLVKDONJSA-N 0 0 175.231 2.251 10 30 AEEERN Cc1ccc([C@@](C)(F)C=O)cc1 258572343 573181481 /nfs/dbraw/zinc/18/14/81/573181481.db2.gz RRZWMYMPIVGMCY-JTQLQIEISA-N 0 0 166.195 2.379 10 30 AEEERN Cc1cc(C)cc([C@H](O)CC#N)c1 85878768 573181487 /nfs/dbraw/zinc/18/14/87/573181487.db2.gz NNXMVISZDFQXIF-LLVKDONJSA-N 0 0 175.231 2.251 10 30 AEEERN Cc1cccc([C@@H](O)CC#N)c1C 85878582 573181538 /nfs/dbraw/zinc/18/15/38/573181538.db2.gz PQUPAJYZGDWSSX-NSHDSACASA-N 0 0 175.231 2.251 10 30 AEEERN C=CCC[C@@H](NCC)C(F)(F)F 129012940 573181543 /nfs/dbraw/zinc/18/15/43/573181543.db2.gz YIEDAPGHVAMOEU-SSDOTTSWSA-N 0 0 181.201 2.493 10 30 AEEERN CC(C)(C#N)c1ncc2ccccc2n1 308850454 573181545 /nfs/dbraw/zinc/18/15/45/573181545.db2.gz GXCKKMRQTMDMBJ-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN Cc1nc(C#N)cnc1CC(C)(C)C 259603069 573181609 /nfs/dbraw/zinc/18/16/09/573181609.db2.gz GGHWFZJCUDGDEF-UHFFFAOYSA-N 0 0 189.262 2.245 10 30 AEEERN CC[C@H](O)CC#CC1CCCC1 238305787 573181686 /nfs/dbraw/zinc/18/16/86/573181686.db2.gz OUCJJWGFJZJVQE-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C[C@H]1C[C@@]1(C)OC(=O)CCCC#N 308296271 573181745 /nfs/dbraw/zinc/18/17/45/573181745.db2.gz JZYHHNYCTQAXMR-WCBMZHEXSA-N 0 0 181.235 2.022 10 30 AEEERN O=CC[C@@H]1Cc2ccc(F)cc2C1 257960960 573181809 /nfs/dbraw/zinc/18/18/09/573181809.db2.gz XJJQNEBFKMBVHQ-MRVPVSSYSA-N 0 0 178.206 2.130 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C1=COCC1 717233695 573181835 /nfs/dbraw/zinc/18/18/35/573181835.db2.gz GCJWFRKXTLGQTL-GRLWKWRFSA-N 0 0 192.258 2.152 10 30 AEEERN C[C@@H](C=O)Cc1cc(F)cc(F)c1 82762843 573181978 /nfs/dbraw/zinc/18/19/78/573181978.db2.gz ICYBIJRZCPKGAO-SSDOTTSWSA-N 0 0 184.185 2.342 10 30 AEEERN C[C@H](C=O)Cc1cccc(F)c1F 82762922 573182085 /nfs/dbraw/zinc/18/20/85/573182085.db2.gz XBMSRFBSJKUCIJ-ZETCQYMHSA-N 0 0 184.185 2.342 10 30 AEEERN N#Cc1cc(-c2cc[nH]c2)ns1 259356976 573182143 /nfs/dbraw/zinc/18/21/43/573182143.db2.gz GJRAGTAHDDJIRW-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN C[C@@H](C=O)Cc1c(F)cccc1F 82762921 573182174 /nfs/dbraw/zinc/18/21/74/573182174.db2.gz BOAODOJQASQDEK-SSDOTTSWSA-N 0 0 184.185 2.342 10 30 AEEERN O=C1C=Cc2ccc(Cl)cc2C1=O 104683304 573182204 /nfs/dbraw/zinc/18/22/04/573182204.db2.gz MHEZTUIPEPJIMD-UHFFFAOYSA-N 0 0 192.601 2.119 10 30 AEEERN N#CCCOc1ccc2ncoc2c1 259360419 573182639 /nfs/dbraw/zinc/18/26/39/573182639.db2.gz FUMSGMKGTVXKFV-UHFFFAOYSA-N 0 0 188.186 2.120 10 30 AEEERN CC1CCC(O)([C@@H](C)C#N)CC1 85880075 573182853 /nfs/dbraw/zinc/18/28/53/573182853.db2.gz HTAXLKHYTKHJHP-KYHHOPLUSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H]1CC[C@@](C#N)(C(C)(C)O)C1 85881286 573182339 /nfs/dbraw/zinc/18/23/39/573182339.db2.gz JXKZPDSEHVIKLZ-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H](C#N)[C@](C)(O)c1ccccc1F 85880834 573182426 /nfs/dbraw/zinc/18/24/26/573182426.db2.gz LEAMACJBACLIBP-KWQFWETISA-N 0 0 193.221 2.193 10 30 AEEERN N#CC1(C2(O)CCCC2)CCCC1 85880410 573182464 /nfs/dbraw/zinc/18/24/64/573182464.db2.gz HHIMTMHBGUAOHY-UHFFFAOYSA-N 0 0 179.263 2.375 10 30 AEEERN C=CC[C@H]1CCC[C@H]1NC(=O)OC 308284596 573182503 /nfs/dbraw/zinc/18/25/03/573182503.db2.gz ZWTKYJBTDHWXFK-DTWKUNHWSA-N 0 0 183.251 2.087 10 30 AEEERN CC[C@@](C)(C#N)[C@](C)(O)C(C)C 85881595 573182524 /nfs/dbraw/zinc/18/25/24/573182524.db2.gz UWGFMCWHSMLYGJ-VHSXEESVSA-N 0 0 169.268 2.333 10 30 AEEERN C=CCC[C@@H](C)Nn1cccc1 132024465 573182539 /nfs/dbraw/zinc/18/25/39/573182539.db2.gz VYUSLTPUTJJSLM-SNVBAGLBSA-N 0 0 164.252 2.386 10 30 AEEERN N#C[C@H]1NCCc2cc3ccoc3cc21 259603026 573182658 /nfs/dbraw/zinc/18/26/58/573182658.db2.gz GFXGIHDQCRXMCL-LLVKDONJSA-N 0 0 198.225 2.143 10 30 AEEERN CC[C@@](C)(C#N)[C@](C)(O)C1CC1 85881732 573182600 /nfs/dbraw/zinc/18/26/00/573182600.db2.gz LDYOGPLMJSRUBL-VHSXEESVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C)[C@](C)(O)C1(C#N)CCC1 85882166 573182698 /nfs/dbraw/zinc/18/26/98/573182698.db2.gz JCIMUKDRWBTLFQ-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)CC#CC[Si](C)(C)C 238305830 573182728 /nfs/dbraw/zinc/18/27/28/573182728.db2.gz LATSRYJGKKVLHZ-JTQLQIEISA-N 0 0 184.355 2.489 10 30 AEEERN CC[C@](C)(C#N)[C@@](C)(O)C(C)C 85881601 573182738 /nfs/dbraw/zinc/18/27/38/573182738.db2.gz UWGFMCWHSMLYGJ-ZJUUUORDSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@@H](C#N)C1(O)CCC(C)CC1 85880090 573182764 /nfs/dbraw/zinc/18/27/64/573182764.db2.gz YYNFCQVPSGOGIG-YVNMAJEFSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@](O)(c1ccccc1)[C@@H](C)C#N 85881882 573182861 /nfs/dbraw/zinc/18/28/61/573182861.db2.gz GZEJNYJZTBUHPA-JQWIXIFHSA-N 0 0 189.258 2.444 10 30 AEEERN C[C@H](C#N)[C@](C)(O)c1cccs1 85883127 573185577 /nfs/dbraw/zinc/18/55/77/573185577.db2.gz DAXSFMAGSIKIHN-APPZFPTMSA-N 0 0 181.260 2.115 10 30 AEEERN Cc1ccc([C@@](C)(O)[C@@H](C)C#N)cc1 85880684 573185582 /nfs/dbraw/zinc/18/55/82/573185582.db2.gz DWFIKNAOMBVZQF-JQWIXIFHSA-N 0 0 189.258 2.362 10 30 AEEERN C[C@H]1CCCC[C@@]1(O)C(C)(C)C#N 85880242 573185600 /nfs/dbraw/zinc/18/56/00/573185600.db2.gz GRYSEHCZIOOPQW-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)[C@](C)(O)c1cccs1 85883125 573185894 /nfs/dbraw/zinc/18/58/94/573185894.db2.gz DAXSFMAGSIKIHN-CBAPKCEASA-N 0 0 181.260 2.115 10 30 AEEERN C=CC[C@H](C)SC 142155447 573184721 /nfs/dbraw/zinc/18/47/21/573184721.db2.gz CPYMDTFICZELKZ-LURJTMIESA-N 0 0 116.229 2.314 10 30 AEEERN Cc1ccccc1C(=O)CCS 259356304 573184746 /nfs/dbraw/zinc/18/47/46/573184746.db2.gz ZVFUCXNOEJWUCI-UHFFFAOYSA-N 0 0 180.272 2.498 10 30 AEEERN C[C@H](C=O)Cc1cc(F)cc(F)c1 82762842 573184787 /nfs/dbraw/zinc/18/47/87/573184787.db2.gz ICYBIJRZCPKGAO-ZETCQYMHSA-N 0 0 184.185 2.342 10 30 AEEERN C[C@H]1C[C@]1(C)OC(=O)CCCC#N 308296272 573184788 /nfs/dbraw/zinc/18/47/88/573184788.db2.gz JZYHHNYCTQAXMR-WPRPVWTQSA-N 0 0 181.235 2.022 10 30 AEEERN C[C@H]1CCC[C@](O)(C(C)(C)C#N)C1 85879902 573184839 /nfs/dbraw/zinc/18/48/39/573184839.db2.gz MRAYXHLIGOYWHD-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@](O)(C(C)C)C1(C#N)CCC1 85882305 573186483 /nfs/dbraw/zinc/18/64/83/573186483.db2.gz YUKYXEKWVQGEIT-LLVKDONJSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H]1CCCC[C@]1(O)C(C)(C)C#N 85880231 573184899 /nfs/dbraw/zinc/18/48/99/573184899.db2.gz GRYSEHCZIOOPQW-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccccc1[C@@](C)(O)[C@H](C)C#N 85880731 573184932 /nfs/dbraw/zinc/18/49/32/573184932.db2.gz HUHHMTMXJBLSMZ-PWSUYJOCSA-N 0 0 189.258 2.362 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCC[C@H](C)C1 85879960 573184960 /nfs/dbraw/zinc/18/49/60/573184960.db2.gz NSPKQIVVHSYOEY-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](C#N)Cc1ccncc1 259356696 573184998 /nfs/dbraw/zinc/18/49/98/573184998.db2.gz MESVJFZNSFBHQV-SECBINFHSA-N 0 0 160.220 2.174 10 30 AEEERN CC[C@H](C#N)[C@@](C)(O)c1ccccc1 85880644 573185013 /nfs/dbraw/zinc/18/50/13/573185013.db2.gz MRCLYKOXSQQNMT-ZYHUDNBSSA-N 0 0 189.258 2.444 10 30 AEEERN CC[C@@](C)(O)C1(C#N)CCCC1 85881408 573186493 /nfs/dbraw/zinc/18/64/93/573186493.db2.gz UFNBINZHGVBLMU-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@](O)(C(C)C)C(C)(C)C#N 85882251 573185030 /nfs/dbraw/zinc/18/50/30/573185030.db2.gz JMVHHLPMNKVJET-JTQLQIEISA-N 0 0 169.268 2.333 10 30 AEEERN CCC(O)(CC)C(C)(C)C#N 85881526 573185037 /nfs/dbraw/zinc/18/50/37/573185037.db2.gz SZLBUUVPKSAVJI-UHFFFAOYSA-N 0 0 155.241 2.087 10 30 AEEERN C[C@@H](C#N)[C@](C)(O)c1ccc(F)cc1 85880753 573185053 /nfs/dbraw/zinc/18/50/53/573185053.db2.gz PLQCFZLLGFVPND-KWQFWETISA-N 0 0 193.221 2.193 10 30 AEEERN C=CC[C@@H]1CCC[C@H]1NC(=O)CC 308296320 573185055 /nfs/dbraw/zinc/18/50/55/573185055.db2.gz KCGRUWLDEFZFRT-NXEZZACHSA-N 0 0 181.279 2.257 10 30 AEEERN CC(C)[C@](C)(O)C1(C#N)CCCC1 85881620 573185060 /nfs/dbraw/zinc/18/50/60/573185060.db2.gz TVAPHBAWRQCYHZ-JTQLQIEISA-N 0 0 181.279 2.477 10 30 AEEERN CCC(O)(CC)[C@](C)(C#N)CC 85881521 573185092 /nfs/dbraw/zinc/18/50/92/573185092.db2.gz AIAVRQQRENCWHE-VIFPVBQESA-N 0 0 169.268 2.477 10 30 AEEERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)C1=COCC1 717233692 573185097 /nfs/dbraw/zinc/18/50/97/573185097.db2.gz GCJWFRKXTLGQTL-DQDDRIPDSA-N 0 0 192.258 2.152 10 30 AEEERN Oc1cccc2c(CS)c[nH]c12 257961089 573185108 /nfs/dbraw/zinc/18/51/08/573185108.db2.gz YLOJQWLJUIPYKX-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN CC[C@@H]1CC(=O)C[C@@](C)(C#N)C1 238301043 573190212 /nfs/dbraw/zinc/19/02/12/573190212.db2.gz OPZNLAMXVGBVRS-SCZZXKLOSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)[C@](C)(O)C1(C#N)CCC1 85881660 573185127 /nfs/dbraw/zinc/18/51/27/573185127.db2.gz PXFXWJNSVONVRQ-VIFPVBQESA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)Cc1ccccc1 85882939 573185161 /nfs/dbraw/zinc/18/51/61/573185161.db2.gz CUHBMPCRODZCFL-JQWIXIFHSA-N 0 0 189.258 2.140 10 30 AEEERN CSc1ccccc1[C@@H](N)CC#N 104685184 573185166 /nfs/dbraw/zinc/18/51/66/573185166.db2.gz YQXXUMNPNDQQLQ-VIFPVBQESA-N 0 0 192.287 2.322 10 30 AEEERN C[C@H](C#N)[C@](C)(O)c1ccc(F)cc1 85880758 573185266 /nfs/dbraw/zinc/18/52/66/573185266.db2.gz PLQCFZLLGFVPND-KCJUWKMLSA-N 0 0 193.221 2.193 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCC[C@H](C)C1 85879967 573185255 /nfs/dbraw/zinc/18/52/55/573185255.db2.gz NSPKQIVVHSYOEY-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN Nc1cccc2c(CS)coc12 257962016 573185258 /nfs/dbraw/zinc/18/52/58/573185258.db2.gz HXEVBWXDDBZLLB-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(C(C)(C)O)C1 85881284 573185281 /nfs/dbraw/zinc/18/52/81/573185281.db2.gz JXKZPDSEHVIKLZ-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CC[C@](C#N)(C(C)(C)O)C1 85881289 573185335 /nfs/dbraw/zinc/18/53/35/573185335.db2.gz JXKZPDSEHVIKLZ-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H](C#N)[C@@](C)(O)Cc1ccccc1 85882942 573185350 /nfs/dbraw/zinc/18/53/50/573185350.db2.gz CUHBMPCRODZCFL-PWSUYJOCSA-N 0 0 189.258 2.140 10 30 AEEERN CC[C@](O)(c1ccccc1)[C@@H](C)C#N 85881885 573185370 /nfs/dbraw/zinc/18/53/70/573185370.db2.gz GZEJNYJZTBUHPA-CMPLNLGQSA-N 0 0 189.258 2.444 10 30 AEEERN N#CC1(C2(O)CCCCC2)CCC1 85879825 573185395 /nfs/dbraw/zinc/18/53/95/573185395.db2.gz VLWMCBZWLQZVLT-UHFFFAOYSA-N 0 0 179.263 2.375 10 30 AEEERN C[C@H](C=O)Cc1c(F)cccc1F 82762920 573185424 /nfs/dbraw/zinc/18/54/24/573185424.db2.gz BOAODOJQASQDEK-ZETCQYMHSA-N 0 0 184.185 2.342 10 30 AEEERN CC[C@@](O)(c1ccccc1)[C@H](C)C#N 85881886 573185440 /nfs/dbraw/zinc/18/54/40/573185440.db2.gz GZEJNYJZTBUHPA-PWSUYJOCSA-N 0 0 189.258 2.444 10 30 AEEERN CC1CCC([C@@H](O)CC#N)CC1 85879599 573185452 /nfs/dbraw/zinc/18/54/52/573185452.db2.gz UDSCUJVKFDOBRT-RTBKNWGFSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H](C=O)Cc1ccc(F)cc1 82762868 573185458 /nfs/dbraw/zinc/18/54/58/573185458.db2.gz BHZCRQKGEVUYMR-MRVPVSSYSA-N 0 0 166.195 2.203 10 30 AEEERN CC[C@](C)(O)[C@@]1(C#N)CC[C@H](C)C1 85881436 573185480 /nfs/dbraw/zinc/18/54/80/573185480.db2.gz HHODUUAQKJDQEY-DCAQKATOSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCC[C@](C#N)(C(C)(C)O)C1 85881231 573185509 /nfs/dbraw/zinc/18/55/09/573185509.db2.gz NMTVBLXUWWHYFI-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@](C)(O)C2CC2)C1 85881799 573185609 /nfs/dbraw/zinc/18/56/09/573185609.db2.gz JHKCAOYZRXGSEP-JLLWLGSASA-N 0 0 193.290 2.477 10 30 AEEERN C[C@H](C#N)[C@](C)(O)c1cccc(F)c1 85880796 573185613 /nfs/dbraw/zinc/18/56/13/573185613.db2.gz COLGSVGVAMEKSL-KCJUWKMLSA-N 0 0 193.221 2.193 10 30 AEEERN CC[C@@H](C)[C@@](C)(O)C1(C#N)CCC1 85882169 573185617 /nfs/dbraw/zinc/18/56/17/573185617.db2.gz JCIMUKDRWBTLFQ-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN CCC1CCC(O)([C@H](C)C#N)CC1 85880182 573185677 /nfs/dbraw/zinc/18/56/77/573185677.db2.gz YESMOARECSOFPJ-KPPDAEKUSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)CCC#C[Si](C)(C)C 238306418 573185740 /nfs/dbraw/zinc/18/57/40/573185740.db2.gz RJUDISUCIQXOLK-JTQLQIEISA-N 0 0 184.355 2.418 10 30 AEEERN CC[C@@](C)(C#N)[C@@](C)(O)C(C)C 85881599 573185755 /nfs/dbraw/zinc/18/57/55/573185755.db2.gz UWGFMCWHSMLYGJ-UWVGGRQHSA-N 0 0 169.268 2.333 10 30 AEEERN CC1CCC(C#N)(C(C)(C)O)CC1 85881307 573185802 /nfs/dbraw/zinc/18/58/02/573185802.db2.gz VQUHOUNHLUPESX-UHFFFAOYSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C=O)CC1CCCC1 82762857 573185838 /nfs/dbraw/zinc/18/58/38/573185838.db2.gz MZCNZXKQYGIDSN-QMMMGPOBSA-N 0 0 140.226 2.402 10 30 AEEERN Cc1ccccc1[C@](C)(O)[C@@H](C)C#N 85880722 573185945 /nfs/dbraw/zinc/18/59/45/573185945.db2.gz HUHHMTMXJBLSMZ-CMPLNLGQSA-N 0 0 189.258 2.362 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCCC[C@@H]1C 85880280 573185967 /nfs/dbraw/zinc/18/59/67/573185967.db2.gz GPXUSKBLOFLMDA-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCC[C@@](O)(C(C)(C)C#N)C1 85879909 573185975 /nfs/dbraw/zinc/18/59/75/573185975.db2.gz MRAYXHLIGOYWHD-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H]1CCCC[C@@]1(O)C(C)(C)C#N 85880239 573186019 /nfs/dbraw/zinc/18/60/19/573186019.db2.gz GRYSEHCZIOOPQW-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCCC[C@@H]1C 85880284 573186025 /nfs/dbraw/zinc/18/60/25/573186025.db2.gz GPXUSKBLOFLMDA-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)[C@](C)(O)c1ccccc1F 85880838 573186049 /nfs/dbraw/zinc/18/60/49/573186049.db2.gz LEAMACJBACLIBP-KCJUWKMLSA-N 0 0 193.221 2.193 10 30 AEEERN C=C[C@H](C)NOCc1ccccc1 235514598 573186083 /nfs/dbraw/zinc/18/60/83/573186083.db2.gz CUMQZWOESZVRKA-JTQLQIEISA-N 0 0 177.247 2.282 10 30 AEEERN C=C(C)C[C@H](O)[C@H]1CCOC1(C)C 642862023 573186098 /nfs/dbraw/zinc/18/60/98/573186098.db2.gz YCKPDDBAHPWTCR-ZJUUUORDSA-N 0 0 184.279 2.129 10 30 AEEERN CC[C@@](C)(C#N)[C@@](C)(O)C1CC1 85881736 573186217 /nfs/dbraw/zinc/18/62/17/573186217.db2.gz LDYOGPLMJSRUBL-UWVGGRQHSA-N 0 0 167.252 2.087 10 30 AEEERN CC1CCC(O)([C@H](C)C#N)CC1 85880080 573186225 /nfs/dbraw/zinc/18/62/25/573186225.db2.gz HTAXLKHYTKHJHP-HWOCKDDLSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)CN1Cc2coc(C#N)c2C1 259360479 573186230 /nfs/dbraw/zinc/18/62/30/573186230.db2.gz GOKVUHBQCZBXHO-UHFFFAOYSA-N 0 0 190.246 2.123 10 30 AEEERN C[C@@H](C#N)[C@](C)(O)Cc1ccccc1 85882934 573186249 /nfs/dbraw/zinc/18/62/49/573186249.db2.gz CUHBMPCRODZCFL-CMPLNLGQSA-N 0 0 189.258 2.140 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)c1ccccc1F 85880839 573186271 /nfs/dbraw/zinc/18/62/71/573186271.db2.gz LEAMACJBACLIBP-GZMMTYOYSA-N 0 0 193.221 2.193 10 30 AEEERN Cc1ccc([C@](C)(O)[C@@H](C)C#N)cc1 85880682 573186278 /nfs/dbraw/zinc/18/62/78/573186278.db2.gz DWFIKNAOMBVZQF-CMPLNLGQSA-N 0 0 189.258 2.362 10 30 AEEERN CCC1CCC(O)([C@@H](C)C#N)CC1 85880180 573186298 /nfs/dbraw/zinc/18/62/98/573186298.db2.gz YESMOARECSOFPJ-WHXUTIOJSA-N 0 0 181.279 2.477 10 30 AEEERN CCC(O)(CC)C1(C#N)CCC1 85881562 573186306 /nfs/dbraw/zinc/18/63/06/573186306.db2.gz HRRYPVCBIZNJRN-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H](C)[C@](C)(O)C(C)(C)C#N 85882096 573186317 /nfs/dbraw/zinc/18/63/17/573186317.db2.gz NKMIUDDVBJVOLT-SCZZXKLOSA-N 0 0 169.268 2.333 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)[C@@H](C)CC 308299334 573186322 /nfs/dbraw/zinc/18/63/22/573186322.db2.gz LCFGJYWTNYJDNX-GUBZILKMSA-N 0 0 182.263 2.234 10 30 AEEERN CC[C@@H](C)[C@@](C)(O)C(C)(C)C#N 85882101 573186330 /nfs/dbraw/zinc/18/63/30/573186330.db2.gz NKMIUDDVBJVOLT-PSASIEDQSA-N 0 0 169.268 2.333 10 30 AEEERN Cc1cc([C@H](O)CCC=O)ccc1F 308513902 573186357 /nfs/dbraw/zinc/18/63/57/573186357.db2.gz DGZSDNKLJRFQER-LLVKDONJSA-N 0 0 196.221 2.147 10 30 AEEERN CC[C@H](C)[C@@](C)(O)C1(C#N)CCC1 85882171 573186378 /nfs/dbraw/zinc/18/63/78/573186378.db2.gz JCIMUKDRWBTLFQ-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CC[C@](C#N)(C(C)(C)O)C1 85881258 573187117 /nfs/dbraw/zinc/18/71/17/573187117.db2.gz FUKRRTWJIMLWFQ-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN N#CC[C@H](O)C1CCCCCC1 85879595 573187141 /nfs/dbraw/zinc/18/71/41/573187141.db2.gz IBDUUBWWINLXAV-JTQLQIEISA-N 0 0 167.252 2.231 10 30 AEEERN Cc1ccccc1[C@@](C)(O)[C@@H](C)C#N 85880725 573187226 /nfs/dbraw/zinc/18/72/26/573187226.db2.gz HUHHMTMXJBLSMZ-JQWIXIFHSA-N 0 0 189.258 2.362 10 30 AEEERN CN[C@@H](S)c1sccc1C 259359551 573187280 /nfs/dbraw/zinc/18/72/80/573187280.db2.gz LAFHHBWMSLCUKO-ZETCQYMHSA-N 0 0 173.306 2.204 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCC[C@@H](C)C1 85879918 573187311 /nfs/dbraw/zinc/18/73/11/573187311.db2.gz GTYFECKNYYAAIU-UTLUCORTSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1ccc([C@@](C)(O)[C@H](C)C#N)cc1 85880689 573187337 /nfs/dbraw/zinc/18/73/37/573187337.db2.gz DWFIKNAOMBVZQF-PWSUYJOCSA-N 0 0 189.258 2.362 10 30 AEEERN C[C@H](C#N)[C@@](C)(O)c1ccccc1F 85880842 573187353 /nfs/dbraw/zinc/18/73/53/573187353.db2.gz LEAMACJBACLIBP-LDYMZIIASA-N 0 0 193.221 2.193 10 30 AEEERN Cc1ccccc1[C@](C)(O)[C@H](C)C#N 85880727 573187361 /nfs/dbraw/zinc/18/73/61/573187361.db2.gz HUHHMTMXJBLSMZ-ZYHUDNBSSA-N 0 0 189.258 2.362 10 30 AEEERN N#CCc1csc(-c2ccc[nH]2)n1 259363885 573187371 /nfs/dbraw/zinc/18/73/71/573187371.db2.gz QSJAAFAOJJGNRR-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN CC[C@@H](C)[C@](C)(O)C1(C#N)CCC1 85882163 573187401 /nfs/dbraw/zinc/18/74/01/573187401.db2.gz JCIMUKDRWBTLFQ-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1cc([C@@H](O)CCC=O)ccc1F 308513904 573187412 /nfs/dbraw/zinc/18/74/12/573187412.db2.gz DGZSDNKLJRFQER-NSHDSACASA-N 0 0 196.221 2.147 10 30 AEEERN CC[C@H]1CC[C@@](C#N)(C(C)(C)O)C1 85881255 573187425 /nfs/dbraw/zinc/18/74/25/573187425.db2.gz FUKRRTWJIMLWFQ-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CCc1c([S-])cccc1C#N 238306340 573187448 /nfs/dbraw/zinc/18/74/48/573187448.db2.gz ALOOZRUPXOIENN-UHFFFAOYSA-N 0 0 163.245 2.409 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)[C@H](C)CC 308299339 573187502 /nfs/dbraw/zinc/18/75/02/573187502.db2.gz LCFGJYWTNYJDNX-UTLUCORTSA-N 0 0 182.263 2.234 10 30 AEEERN CC[C@@H](CC#N)n1cnc(C(C)C)n1 308514311 573187625 /nfs/dbraw/zinc/18/76/25/573187625.db2.gz UGVAYCQAGNUSMY-VIFPVBQESA-N 0 0 192.266 2.266 10 30 AEEERN C=CCN(CCC#N)CC[C@@H](C)F 308298191 573187679 /nfs/dbraw/zinc/18/76/79/573187679.db2.gz YIECNDLFLRDASK-SNVBAGLBSA-N 0 0 184.258 2.136 10 30 AEEERN C[C@H](C1CCCCC1)[C@@H](O)CC=O 308298197 573187713 /nfs/dbraw/zinc/18/77/13/573187713.db2.gz YIUBFXFUPIYEJN-KOLCDFICSA-N 0 0 184.279 2.153 10 30 AEEERN CC[C@H](CC#N)n1cnc(C(C)C)n1 308514310 573187721 /nfs/dbraw/zinc/18/77/21/573187721.db2.gz UGVAYCQAGNUSMY-SECBINFHSA-N 0 0 192.266 2.266 10 30 AEEERN C[C@@H](C1CCCCC1)[C@H](O)CC=O 308298196 573187763 /nfs/dbraw/zinc/18/77/63/573187763.db2.gz YIUBFXFUPIYEJN-GXSJLCMTSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H](C1CCCCC1)[C@@H](O)CC=O 308298199 573187850 /nfs/dbraw/zinc/18/78/50/573187850.db2.gz YIUBFXFUPIYEJN-ONGXEEELSA-N 0 0 184.279 2.153 10 30 AEEERN CC(C)(C#N)[C@@H](O)c1ccccc1F 85886460 573187858 /nfs/dbraw/zinc/18/78/58/573187858.db2.gz KHXYSTJALWDVBB-JTQLQIEISA-N 0 0 193.221 2.409 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1ccc(F)cc1 85885913 573187890 /nfs/dbraw/zinc/18/78/90/573187890.db2.gz JQPJEYULTMAEDM-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN Cc1cccc([C@H](O)[C@@H](C)C#N)c1 85887393 573187912 /nfs/dbraw/zinc/18/79/12/573187912.db2.gz DLXOTZBVKYGZNJ-GXSJLCMTSA-N 0 0 175.231 2.188 10 30 AEEERN CC[C@H](C)[C@H](O)C1(C#N)CCC1 85888570 573187936 /nfs/dbraw/zinc/18/79/36/573187936.db2.gz QOIUCYUKUWQYFD-IUCAKERBSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CC(=O)C(=O)C1CCC#N 238300560 573187938 /nfs/dbraw/zinc/18/79/38/573187938.db2.gz FXOYASDOFSGYLY-SSDOTTSWSA-N 0 0 179.219 2.101 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)c1ccncc1 85884612 573187962 /nfs/dbraw/zinc/18/79/62/573187962.db2.gz POSGIIKCCFXHMO-GHMZBOCLSA-N 0 0 190.246 2.055 10 30 AEEERN Cc1cccc([C@H](O)[C@H](C)C#N)c1C 85887996 573187990 /nfs/dbraw/zinc/18/79/90/573187990.db2.gz OWNOMRPKUWENTM-BXKDBHETSA-N 0 0 189.258 2.497 10 30 AEEERN COc1c(C)cc(C#N)c(F)c1OC 257962686 573187993 /nfs/dbraw/zinc/18/79/93/573187993.db2.gz BZPVSDZDQWAYRD-UHFFFAOYSA-N 0 0 195.193 2.023 10 30 AEEERN C=CCCCc1nc(CC=C)no1 308250765 573188002 /nfs/dbraw/zinc/18/80/02/573188002.db2.gz FHKVSYZYAQDRBL-UHFFFAOYSA-N 0 0 178.235 2.307 10 30 AEEERN CCc1ccc([C@H](O)[C@@H](C)C#N)o1 85888662 573188023 /nfs/dbraw/zinc/18/80/23/573188023.db2.gz TZLGZCJUMMGHHK-OIBJUYFYSA-N 0 0 179.219 2.035 10 30 AEEERN CC[C@H](C)[C@@H](O)C1(C#N)CCC1 85888576 573188029 /nfs/dbraw/zinc/18/80/29/573188029.db2.gz QOIUCYUKUWQYFD-DTWKUNHWSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)s1 85887068 573188097 /nfs/dbraw/zinc/18/80/97/573188097.db2.gz OFGRYPHKQBXQDF-RCOVLWMOSA-N 0 0 181.260 2.250 10 30 AEEERN CC(C)(C#N)[C@@H](O)c1cccc(F)c1 85886541 573188167 /nfs/dbraw/zinc/18/81/67/573188167.db2.gz PCVYACBMFYQEKZ-JTQLQIEISA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](C#N)[C@@H](O)C1CCCCC1 85887555 573188175 /nfs/dbraw/zinc/18/81/75/573188175.db2.gz ZDFDEPFZSPLFHT-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN N#CC1([C@@H](O)c2ccsc2)CCC1 85885008 573188205 /nfs/dbraw/zinc/18/82/05/573188205.db2.gz KQVBOKMZXDFSFL-VIFPVBQESA-N 0 0 193.271 2.475 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@H](O)C2CC2)C1 85888877 573188226 /nfs/dbraw/zinc/18/82/26/573188226.db2.gz NAMWHVAEJVZMCB-FBIMIBRVSA-N 0 0 179.263 2.087 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1cccc(F)c1 85886576 573188938 /nfs/dbraw/zinc/18/89/38/573188938.db2.gz NNMSQTSGNVPQJY-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN Cc1ccccc1[C@@H](O)[C@H](C)C#N 85887331 573188236 /nfs/dbraw/zinc/18/82/36/573188236.db2.gz ZQJPXCJQNZXQTQ-KOLCDFICSA-N 0 0 175.231 2.188 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1ccc(F)c(F)c1 85886971 573188267 /nfs/dbraw/zinc/18/82/67/573188267.db2.gz JVJXBQVBHNZUON-LHLIQPBNSA-N 0 0 197.184 2.158 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1ccccc1F 85886472 573188274 /nfs/dbraw/zinc/18/82/74/573188274.db2.gz HMILTLJBOMCQEW-OIBJUYFYSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)c1ccco1 85884491 573188278 /nfs/dbraw/zinc/18/82/78/573188278.db2.gz RPKYMTSZYJADQJ-VHSXEESVSA-N 0 0 179.219 2.253 10 30 AEEERN Cc1cccc([C@@H](O)[C@H](C)C#N)c1C 85888000 573188318 /nfs/dbraw/zinc/18/83/18/573188318.db2.gz OWNOMRPKUWENTM-SKDRFNHKSA-N 0 0 189.258 2.497 10 30 AEEERN N#CC1([C@@H](O)C2CC2)CCCCC1 85888921 573188335 /nfs/dbraw/zinc/18/83/35/573188335.db2.gz BNYQDGWFJATVGX-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1ccccc1F 85886480 573188344 /nfs/dbraw/zinc/18/83/44/573188344.db2.gz OXFZLOKPVOHTKD-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1ccsc1 85884982 573188355 /nfs/dbraw/zinc/18/83/55/573188355.db2.gz OGAYUVDIKONSGL-APPZFPTMSA-N 0 0 181.260 2.331 10 30 AEEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)cc1F 85888748 573188361 /nfs/dbraw/zinc/18/83/61/573188361.db2.gz XTXDFRJRSAYZGX-KWQFWETISA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@H](C#N)c1ccccc1CO 238300455 573188372 /nfs/dbraw/zinc/18/83/72/573188372.db2.gz SPSOYQVSPXVZFS-SECBINFHSA-N 0 0 175.231 2.196 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1ccccc1F 85886489 573188381 /nfs/dbraw/zinc/18/83/81/573188381.db2.gz OXFZLOKPVOHTKD-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN Cc1ccsc1[C@H](O)[C@@H](C)C#N 85886655 573188391 /nfs/dbraw/zinc/18/83/91/573188391.db2.gz LETHLZRDYQJSOM-JGVFFNPUSA-N 0 0 181.260 2.250 10 30 AEEERN Cc1cccc([C@H](O)[C@@H](C)C#N)c1C 85887989 573188395 /nfs/dbraw/zinc/18/83/95/573188395.db2.gz OWNOMRPKUWENTM-JOYOIKCWSA-N 0 0 189.258 2.497 10 30 AEEERN CC[C@@H](C)[C@H](O)C1(C#N)CCCC1 85888504 573188404 /nfs/dbraw/zinc/18/84/04/573188404.db2.gz WVZMOLVTDASWSV-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)c1cccnc1 85885553 573188413 /nfs/dbraw/zinc/18/84/13/573188413.db2.gz YNCTZYRLMKHCPV-QWRGUYRKSA-N 0 0 190.246 2.055 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1ccc(C)o1 85884139 573188435 /nfs/dbraw/zinc/18/84/35/573188435.db2.gz VZHIPUNZKOJUKA-PSASIEDQSA-N 0 0 179.219 2.171 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)([C@H](O)C2CC2)C1 85888771 573188444 /nfs/dbraw/zinc/18/84/44/573188444.db2.gz LRXYRYPQTRLVEJ-YUSALJHKSA-N 0 0 193.290 2.477 10 30 AEEERN C#C[C@H](C)[C@]1(C)C=CC=C(C)C1=O 142265942 573188464 /nfs/dbraw/zinc/18/84/64/573188464.db2.gz WKCHSIDOXJDPTG-JQWIXIFHSA-N 0 0 174.243 2.347 10 30 AEEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)cc1 85886753 573188465 /nfs/dbraw/zinc/18/84/65/573188465.db2.gz DCIZPYNIMFKUCK-ONGXEEELSA-N 0 0 175.231 2.188 10 30 AEEERN CC(C)(C#N)[C@H](O)c1cccc(F)c1 85886535 573188491 /nfs/dbraw/zinc/18/84/91/573188491.db2.gz PCVYACBMFYQEKZ-SNVBAGLBSA-N 0 0 193.221 2.409 10 30 AEEERN Cc1ccc([C@H](O)[C@@H](C)C#N)cc1C 85888041 573188499 /nfs/dbraw/zinc/18/84/99/573188499.db2.gz NOSASGXOJCTQBF-CMPLNLGQSA-N 0 0 189.258 2.497 10 30 AEEERN CC(C)[C@@H](O)C1(C#N)CCCCC1 85886227 573188520 /nfs/dbraw/zinc/18/85/20/573188520.db2.gz QWMBHWBWCSQYQU-SNVBAGLBSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)c(C)c1 85887660 573188573 /nfs/dbraw/zinc/18/85/73/573188573.db2.gz QSXHPVPPDABXTK-JQWIXIFHSA-N 0 0 189.258 2.497 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)c1ccco1 85884478 573188619 /nfs/dbraw/zinc/18/86/19/573188619.db2.gz RPKYMTSZYJADQJ-ZJUUUORDSA-N 0 0 179.219 2.253 10 30 AEEERN CC1CCC(C#N)([C@H](O)C2CC2)CC1 85888912 573188644 /nfs/dbraw/zinc/18/86/44/573188644.db2.gz LBENIXYNZJWSHC-CKBZRRDASA-N 0 0 193.290 2.477 10 30 AEEERN C#CC[C@@]1(C)C=C(C)C=C(C)C1=O 142265307 573188669 /nfs/dbraw/zinc/18/86/69/573188669.db2.gz OSGJCXSCNBSQSW-LBPRGKRZSA-N 0 0 174.243 2.491 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1ccc(C)o1 85884133 573188690 /nfs/dbraw/zinc/18/86/90/573188690.db2.gz VZHIPUNZKOJUKA-WPRPVWTQSA-N 0 0 179.219 2.171 10 30 AEEERN Cc1ccc([C@H](O)[C@H](C)C#N)c(C)c1 85887666 573188701 /nfs/dbraw/zinc/18/87/01/573188701.db2.gz QSXHPVPPDABXTK-ZYHUDNBSSA-N 0 0 189.258 2.497 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1ccc(C)o1 85884137 573188712 /nfs/dbraw/zinc/18/87/12/573188712.db2.gz VZHIPUNZKOJUKA-WCBMZHEXSA-N 0 0 179.219 2.171 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)c1ccncc1 85884614 573188732 /nfs/dbraw/zinc/18/87/32/573188732.db2.gz POSGIIKCCFXHMO-QWRGUYRKSA-N 0 0 190.246 2.055 10 30 AEEERN CCn1cc(N[C@H](C)CCC#N)cn1 308514265 573188734 /nfs/dbraw/zinc/18/87/34/573188734.db2.gz MCVZTFKPOKUFIR-SECBINFHSA-N 0 0 192.266 2.007 10 30 AEEERN C[C@H](C#N)[C@H](O)C1CCCCC1 85887552 573188914 /nfs/dbraw/zinc/18/89/14/573188914.db2.gz ZDFDEPFZSPLFHT-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)(C#N)[C@H](O)c1ccsc1 85884940 573188759 /nfs/dbraw/zinc/18/87/59/573188759.db2.gz BSPZOSNRNCOGGY-MRVPVSSYSA-N 0 0 181.260 2.331 10 30 AEEERN N#CC1([C@H](O)c2ccsc2)CCC1 85885011 573188921 /nfs/dbraw/zinc/18/89/21/573188921.db2.gz KQVBOKMZXDFSFL-SECBINFHSA-N 0 0 193.271 2.475 10 30 AEEERN Cc1ccc(C)c([C@H](O)[C@@H](C)C#N)c1 85887711 573188824 /nfs/dbraw/zinc/18/88/24/573188824.db2.gz LEFJDSYXJJPHQO-CMPLNLGQSA-N 0 0 189.258 2.497 10 30 AEEERN CCn1cc(N[C@@H](C)CCC#N)cn1 308514266 573188841 /nfs/dbraw/zinc/18/88/41/573188841.db2.gz MCVZTFKPOKUFIR-VIFPVBQESA-N 0 0 192.266 2.007 10 30 AEEERN CC(C)[C@@H](O)[C@]1(C#N)CC[C@@H](C)C1 85886194 573188842 /nfs/dbraw/zinc/18/88/42/573188842.db2.gz DNCUWQNXVKFARL-GMTAPVOTSA-N 0 0 181.279 2.333 10 30 AEEERN CC(=O)C=Cc1ccc2[nH]cnc2c1 142197967 573190227 /nfs/dbraw/zinc/19/02/27/573190227.db2.gz UUOUDEDJNLRHEM-NSCUHMNNSA-N 0 0 186.214 2.165 10 30 AEEERN Cc1ccc([C@H](O)[C@H](C)C#N)cc1C 85888045 573190394 /nfs/dbraw/zinc/19/03/94/573190394.db2.gz NOSASGXOJCTQBF-ZYHUDNBSSA-N 0 0 189.258 2.497 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)c1ccccn1 85885645 573189520 /nfs/dbraw/zinc/18/95/20/573189520.db2.gz JQHHIXLERKPMCE-WDEREUQCSA-N 0 0 190.246 2.055 10 30 AEEERN Cc1ccccc1[C@@H](O)[C@@H](C)C#N 85887322 573189529 /nfs/dbraw/zinc/18/95/29/573189529.db2.gz ZQJPXCJQNZXQTQ-ONGXEEELSA-N 0 0 175.231 2.188 10 30 AEEERN Cc1ccc([C@@H](O)[C@H](C)C#N)c(C)c1 85887668 573189564 /nfs/dbraw/zinc/18/95/64/573189564.db2.gz QSXHPVPPDABXTK-PWSUYJOCSA-N 0 0 189.258 2.497 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)c1ccccn1 85885641 573189590 /nfs/dbraw/zinc/18/95/90/573189590.db2.gz JQHHIXLERKPMCE-GHMZBOCLSA-N 0 0 190.246 2.055 10 30 AEEERN Cc1ccc(C)c([C@@H](O)[C@@H](C)C#N)c1 85887714 573189608 /nfs/dbraw/zinc/18/96/08/573189608.db2.gz LEFJDSYXJJPHQO-JQWIXIFHSA-N 0 0 189.258 2.497 10 30 AEEERN N#CC1([C@@H](O)c2cccs2)CCC1 85885496 573189624 /nfs/dbraw/zinc/18/96/24/573189624.db2.gz DPZIIRBTYPGRJT-VIFPVBQESA-N 0 0 193.271 2.475 10 30 AEEERN CC[C@@H](C#N)[C@H](O)C1CCCCC1 85887580 573189641 /nfs/dbraw/zinc/18/96/41/573189641.db2.gz WVDAKOKULJICDD-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1ccccc1F 85886467 573189649 /nfs/dbraw/zinc/18/96/49/573189649.db2.gz HMILTLJBOMCQEW-XVKPBYJWSA-N 0 0 179.194 2.019 10 30 AEEERN Cc1ccc([C@H](O)C(C)(C)C#N)o1 85884114 573189678 /nfs/dbraw/zinc/18/96/78/573189678.db2.gz SUZXERQBIVWBEL-VIFPVBQESA-N 0 0 179.219 2.171 10 30 AEEERN C=CCc1noc(C[C@@H](C)SC)n1 308297520 573189707 /nfs/dbraw/zinc/18/97/07/573189707.db2.gz IUAQUGMDDLATHF-SSDOTTSWSA-N 0 0 198.291 2.092 10 30 AEEERN CC(C)(C#N)[C@@H](O)c1cccs1 85885432 573189710 /nfs/dbraw/zinc/18/97/10/573189710.db2.gz WKNUPWCAQDGLJW-QMMMGPOBSA-N 0 0 181.260 2.331 10 30 AEEERN Cc1cccc([C@@H](O)[C@H](C)C#N)c1 85887405 573189753 /nfs/dbraw/zinc/18/97/53/573189753.db2.gz DLXOTZBVKYGZNJ-KOLCDFICSA-N 0 0 175.231 2.188 10 30 AEEERN Cc1ccc([C@H](O)[C@H](C)C#N)cc1F 85888749 573189771 /nfs/dbraw/zinc/18/97/71/573189771.db2.gz XTXDFRJRSAYZGX-LDYMZIIASA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@@H]1CC[C@](C#N)([C@H](O)C2CC2)C1 85888805 573189779 /nfs/dbraw/zinc/18/97/79/573189779.db2.gz UKDOUJUDQKKIMJ-JLLWLGSASA-N 0 0 193.290 2.477 10 30 AEEERN C[C@H](C#N)[C@H](O)c1ccc(F)cc1 85885887 573189810 /nfs/dbraw/zinc/18/98/10/573189810.db2.gz AEXADEBYHITGBV-XCBNKYQSSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@@H](C)[C@@H](O)C1(C#N)CCCC1 85888510 573189834 /nfs/dbraw/zinc/18/98/34/573189834.db2.gz WVZMOLVTDASWSV-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1c(F)cccc1F 85886891 573189857 /nfs/dbraw/zinc/18/98/57/573189857.db2.gz DLDTVBHDCAYYIW-WKEGUHRASA-N 0 0 197.184 2.158 10 30 AEEERN C=CCN(CCC#N)CC[C@H](C)F 308298190 573189873 /nfs/dbraw/zinc/18/98/73/573189873.db2.gz YIECNDLFLRDASK-JTQLQIEISA-N 0 0 184.258 2.136 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1ccccc1F 85886485 573189889 /nfs/dbraw/zinc/18/98/89/573189889.db2.gz OXFZLOKPVOHTKD-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN C=C[C@@]1(O)CC(C)(C)C[C@H]1C 142257118 573189896 /nfs/dbraw/zinc/18/98/96/573189896.db2.gz INYDJLKDQOBMRU-PSASIEDQSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1ccc(F)cc1 85885890 573189900 /nfs/dbraw/zinc/18/99/00/573189900.db2.gz AEXADEBYHITGBV-OIBJUYFYSA-N 0 0 179.194 2.019 10 30 AEEERN C=CCC(C)(C)COC(=O)C(F)F 308297204 573189946 /nfs/dbraw/zinc/18/99/46/573189946.db2.gz XBSFRFHBKJNZEO-UHFFFAOYSA-N 0 0 192.205 2.397 10 30 AEEERN CCc1ccc([C@@H](O)[C@@H](C)C#N)o1 85888670 573189994 /nfs/dbraw/zinc/18/99/94/573189994.db2.gz TZLGZCJUMMGHHK-XVKPBYJWSA-N 0 0 179.219 2.035 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)[C@H](C)CC 308299335 573190013 /nfs/dbraw/zinc/19/00/13/573190013.db2.gz LCFGJYWTNYJDNX-KXUCPTDWSA-N 0 0 182.263 2.234 10 30 AEEERN C=CCCCC[NH2+][C@@H](CCC)C(=O)[O-] 308514313 573190014 /nfs/dbraw/zinc/19/00/14/573190014.db2.gz UGWVICFSYALTKL-JTQLQIEISA-N 0 0 199.294 2.186 10 30 AEEERN Cc1ccc([C@@H](O)[C@H](C)C#N)s1 85887072 573190037 /nfs/dbraw/zinc/19/00/37/573190037.db2.gz OFGRYPHKQBXQDF-MUWHJKNJSA-N 0 0 181.260 2.250 10 30 AEEERN C=C[C@]1(O)CC(C)(C)C[C@@H]1C 142256891 573190052 /nfs/dbraw/zinc/19/00/52/573190052.db2.gz INYDJLKDQOBMRU-WPRPVWTQSA-N 0 0 154.253 2.360 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)c1ccco1 85884483 573190065 /nfs/dbraw/zinc/19/00/65/573190065.db2.gz RPKYMTSZYJADQJ-NXEZZACHSA-N 0 0 179.219 2.253 10 30 AEEERN CC[C@H](C#N)[C@@H](O)C1CCCCC1 85887592 573190075 /nfs/dbraw/zinc/19/00/75/573190075.db2.gz WVDAKOKULJICDD-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H](O)c1cccc(C#N)c1 90373064 573190081 /nfs/dbraw/zinc/19/00/81/573190081.db2.gz JKUICMQUKGWNDE-SNVBAGLBSA-N 0 0 161.204 2.002 10 30 AEEERN CC(C)(C#N)[C@H](O)C1CCCCC1 85887543 573190086 /nfs/dbraw/zinc/19/00/86/573190086.db2.gz HEBPCAOWEAWAPC-SNVBAGLBSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@@H](O)[C@H](C)C#N)cc1C 85888049 573190101 /nfs/dbraw/zinc/19/01/01/573190101.db2.gz NOSASGXOJCTQBF-PWSUYJOCSA-N 0 0 189.258 2.497 10 30 AEEERN CCO[C@@H]1C(C)=C(C)CC[C@@H]1C=O 238300635 573190104 /nfs/dbraw/zinc/19/01/04/573190104.db2.gz VPHQNIDJXJMAGF-GHMZBOCLSA-N 0 0 182.263 2.337 10 30 AEEERN CCc1ccc([C@@H](O)[C@H](C)C#N)o1 85888676 573190131 /nfs/dbraw/zinc/19/01/31/573190131.db2.gz TZLGZCJUMMGHHK-XCBNKYQSSA-N 0 0 179.219 2.035 10 30 AEEERN N#CC1([C@H](O)c2ccco2)CCCC1 85884522 573190314 /nfs/dbraw/zinc/19/03/14/573190314.db2.gz LNMBAWCFHHJNEG-SNVBAGLBSA-N 0 0 191.230 2.397 10 30 AEEERN Cc1ccc(C)c([C@H](O)[C@H](C)C#N)c1 85887715 573190353 /nfs/dbraw/zinc/19/03/53/573190353.db2.gz LEFJDSYXJJPHQO-ZYHUDNBSSA-N 0 0 189.258 2.497 10 30 AEEERN Cc1cccc([C@H](O)[C@H](C)C#N)c1 85887402 573190438 /nfs/dbraw/zinc/19/04/38/573190438.db2.gz DLXOTZBVKYGZNJ-MWLCHTKSSA-N 0 0 175.231 2.188 10 30 AEEERN CC(C)[C@@H](O)C1(C#N)CCCC1 85886169 573190445 /nfs/dbraw/zinc/19/04/45/573190445.db2.gz CKTTZIXCGMLBHJ-SECBINFHSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)(C#N)[C@@H](O)C1CCCCC1 85887546 573190456 /nfs/dbraw/zinc/19/04/56/573190456.db2.gz HEBPCAOWEAWAPC-JTQLQIEISA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)[C@@H](O)c1ccc(F)cc1 85885883 573190508 /nfs/dbraw/zinc/19/05/08/573190508.db2.gz ZOXUAKLDYHFBOW-JTQLQIEISA-N 0 0 193.221 2.409 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)c1ccncc1 85884617 573190528 /nfs/dbraw/zinc/19/05/28/573190528.db2.gz POSGIIKCCFXHMO-WDEREUQCSA-N 0 0 190.246 2.055 10 30 AEEERN CCc1ccc([C@@H](O)[C@H](C)C#N)cc1 85886840 573190615 /nfs/dbraw/zinc/19/06/15/573190615.db2.gz SUNDAXMQNWRRTA-SKDRFNHKSA-N 0 0 189.258 2.442 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1ccccc1F 85886474 573190646 /nfs/dbraw/zinc/19/06/46/573190646.db2.gz HMILTLJBOMCQEW-GMSGAONNSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1ccsc1 85884984 573190664 /nfs/dbraw/zinc/19/06/64/573190664.db2.gz OGAYUVDIKONSGL-IONNQARKSA-N 0 0 181.260 2.331 10 30 AEEERN C=C[C@@]1(O)CC(C)(C)C[C@@H]1C 142257331 573190674 /nfs/dbraw/zinc/19/06/74/573190674.db2.gz INYDJLKDQOBMRU-WCBMZHEXSA-N 0 0 154.253 2.360 10 30 AEEERN CC1CCC(C#N)([C@@H](O)C2CC2)CC1 85888913 573190720 /nfs/dbraw/zinc/19/07/20/573190720.db2.gz LBENIXYNZJWSHC-ZYXZCXLHSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@@H]1CCC[C@](C#N)([C@H](O)C2CC2)C1 85888777 573190727 /nfs/dbraw/zinc/19/07/27/573190727.db2.gz LRXYRYPQTRLVEJ-JLLWLGSASA-N 0 0 193.290 2.477 10 30 AEEERN CC(C)C[C@H](O)C1(C#N)CCC1 85890522 573193729 /nfs/dbraw/zinc/19/37/29/573193729.db2.gz KYCCNPFARAPMKA-VIFPVBQESA-N 0 0 167.252 2.087 10 30 AEEERN Cc1cccc([C@@H](O)[C@@H](C)C#N)c1C 85887993 573190746 /nfs/dbraw/zinc/19/07/46/573190746.db2.gz OWNOMRPKUWENTM-CABZTGNLSA-N 0 0 189.258 2.497 10 30 AEEERN N#CC1([C@H](O)c2ccccc2)CCC1 85884419 573190753 /nfs/dbraw/zinc/19/07/53/573190753.db2.gz XHKYXPDBXKIYSM-LLVKDONJSA-N 0 0 187.242 2.414 10 30 AEEERN CCc1cccc(OC)c1CC#N 238302057 573191155 /nfs/dbraw/zinc/19/11/55/573191155.db2.gz FDHMMWDOIWEGNJ-UHFFFAOYSA-N 0 0 175.231 2.324 10 30 AEEERN Cc1ccc([C@H](O)[C@@H](C)C#N)c(C)c1 85887657 573190803 /nfs/dbraw/zinc/19/08/03/573190803.db2.gz QSXHPVPPDABXTK-CMPLNLGQSA-N 0 0 189.258 2.497 10 30 AEEERN C=CCc1noc(C[C@H](C)SC)n1 308297521 573190851 /nfs/dbraw/zinc/19/08/51/573190851.db2.gz IUAQUGMDDLATHF-ZETCQYMHSA-N 0 0 198.291 2.092 10 30 AEEERN CCc1ccc([C@@H](O)C(C)(C)C#N)o1 85888659 573191168 /nfs/dbraw/zinc/19/11/68/573191168.db2.gz ZUSRGKHQAHXIPB-SNVBAGLBSA-N 0 0 193.246 2.425 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)[C@@H](C)CC 308299337 573190856 /nfs/dbraw/zinc/19/08/56/573190856.db2.gz LCFGJYWTNYJDNX-LPEHRKFASA-N 0 0 182.263 2.234 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)c1cccnc1 85885555 573190895 /nfs/dbraw/zinc/19/08/95/573190895.db2.gz YNCTZYRLMKHCPV-WDEREUQCSA-N 0 0 190.246 2.055 10 30 AEEERN CC[C@@H](C)[C@@H](O)C1(C#N)CCC1 85888574 573190901 /nfs/dbraw/zinc/19/09/01/573190901.db2.gz QOIUCYUKUWQYFD-RKDXNWHRSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)c1ccco1 85884487 573190912 /nfs/dbraw/zinc/19/09/12/573190912.db2.gz RPKYMTSZYJADQJ-UWVGGRQHSA-N 0 0 179.219 2.253 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1ccc(C)o1 85884135 573190921 /nfs/dbraw/zinc/19/09/21/573190921.db2.gz VZHIPUNZKOJUKA-SCZZXKLOSA-N 0 0 179.219 2.171 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)C1CCCCC1 85887588 573190926 /nfs/dbraw/zinc/19/09/26/573190926.db2.gz WVDAKOKULJICDD-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccc([C@@H](O)C(C)(C)C#N)o1 85884116 573190950 /nfs/dbraw/zinc/19/09/50/573190950.db2.gz SUZXERQBIVWBEL-SECBINFHSA-N 0 0 179.219 2.171 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1ccc(F)cc1 85885893 573190959 /nfs/dbraw/zinc/19/09/59/573190959.db2.gz AEXADEBYHITGBV-GMSGAONNSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@H](C)[C@@](C)(Br)C=O 238301795 573191005 /nfs/dbraw/zinc/19/10/05/573191005.db2.gz PNCJWWBVPFEFOZ-BQBZGAKWSA-N 0 0 193.084 2.385 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)c1ccccn1 85885643 573191017 /nfs/dbraw/zinc/19/10/17/573191017.db2.gz JQHHIXLERKPMCE-QWRGUYRKSA-N 0 0 190.246 2.055 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@H](O)C2CC2)C1 85888881 573191031 /nfs/dbraw/zinc/19/10/31/573191031.db2.gz NAMWHVAEJVZMCB-IEBDPFPHSA-N 0 0 179.263 2.087 10 30 AEEERN Cc1ccsc1[C@@H](O)[C@@H](C)C#N 85886658 573191052 /nfs/dbraw/zinc/19/10/52/573191052.db2.gz LETHLZRDYQJSOM-YUMQZZPRSA-N 0 0 181.260 2.250 10 30 AEEERN C[C@H](C#N)[C@H](O)c1c(F)cccc1F 85886895 573191059 /nfs/dbraw/zinc/19/10/59/573191059.db2.gz DLDTVBHDCAYYIW-LDWIPMOCSA-N 0 0 197.184 2.158 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1cccc(F)c1 85886585 573191179 /nfs/dbraw/zinc/19/11/79/573191179.db2.gz NNMSQTSGNVPQJY-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN Cc1ccc([C@H](O)C2(C#N)CCC2)o1 85884147 573191114 /nfs/dbraw/zinc/19/11/14/573191114.db2.gz UNDLCMSYQJMDJK-JTQLQIEISA-N 0 0 191.230 2.315 10 30 AEEERN CCc1ccc([C@H](O)[C@H](C)C#N)cc1 85886833 573191125 /nfs/dbraw/zinc/19/11/25/573191125.db2.gz SUNDAXMQNWRRTA-BXKDBHETSA-N 0 0 189.258 2.442 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1cccc(F)c1 85886555 573191131 /nfs/dbraw/zinc/19/11/31/573191131.db2.gz HUBHWHYPONLQIZ-OIBJUYFYSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@@H](C)[C@H](O)C1(C#N)CCC1 85888568 573191151 /nfs/dbraw/zinc/19/11/51/573191151.db2.gz QOIUCYUKUWQYFD-BDAKNGLRSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1c(F)cccc1F 85886901 573191182 /nfs/dbraw/zinc/19/11/82/573191182.db2.gz DLDTVBHDCAYYIW-LHLIQPBNSA-N 0 0 197.184 2.158 10 30 AEEERN Cc1cccc([C@@H](O)[C@@H](C)C#N)c1 85887399 573191187 /nfs/dbraw/zinc/19/11/87/573191187.db2.gz DLXOTZBVKYGZNJ-ONGXEEELSA-N 0 0 175.231 2.188 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)c1ccncc1 85884609 573191216 /nfs/dbraw/zinc/19/12/16/573191216.db2.gz POSGIIKCCFXHMO-MNOVXSKESA-N 0 0 190.246 2.055 10 30 AEEERN N#CC1([C@H](O)c2cccs2)CCC1 85885501 573191227 /nfs/dbraw/zinc/19/12/27/573191227.db2.gz DPZIIRBTYPGRJT-SECBINFHSA-N 0 0 193.271 2.475 10 30 AEEERN CCc1ccc([C@H](O)[C@@H](C)C#N)cc1 85886825 573191234 /nfs/dbraw/zinc/19/12/34/573191234.db2.gz SUNDAXMQNWRRTA-JOYOIKCWSA-N 0 0 189.258 2.442 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)c1cccnc1 85885550 573191252 /nfs/dbraw/zinc/19/12/52/573191252.db2.gz YNCTZYRLMKHCPV-GHMZBOCLSA-N 0 0 190.246 2.055 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1ccsc1 85884988 573191274 /nfs/dbraw/zinc/19/12/74/573191274.db2.gz OGAYUVDIKONSGL-VXNVDRBHSA-N 0 0 181.260 2.331 10 30 AEEERN Cc1ccc([C@@H](O)[C@H](C)C#N)cc1 85886756 573191299 /nfs/dbraw/zinc/19/12/99/573191299.db2.gz DCIZPYNIMFKUCK-KOLCDFICSA-N 0 0 175.231 2.188 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)c1cccnc1 85885546 573191309 /nfs/dbraw/zinc/19/13/09/573191309.db2.gz YNCTZYRLMKHCPV-MNOVXSKESA-N 0 0 190.246 2.055 10 30 AEEERN C[C@H](C#N)[C@H](O)c1ccc(F)c(F)c1 85886965 573191320 /nfs/dbraw/zinc/19/13/20/573191320.db2.gz JVJXBQVBHNZUON-LDWIPMOCSA-N 0 0 197.184 2.158 10 30 AEEERN Cc1ccc(C)c([C@@H](O)[C@H](C)C#N)c1 85887718 573191326 /nfs/dbraw/zinc/19/13/26/573191326.db2.gz LEFJDSYXJJPHQO-PWSUYJOCSA-N 0 0 189.258 2.497 10 30 AEEERN Cc1ccccc1[C@H](O)[C@@H](C)C#N 85887319 573191338 /nfs/dbraw/zinc/19/13/38/573191338.db2.gz ZQJPXCJQNZXQTQ-GXSJLCMTSA-N 0 0 175.231 2.188 10 30 AEEERN C=C[C@]1(O)CC(C)(C)C[C@H]1C 142256698 573191339 /nfs/dbraw/zinc/19/13/39/573191339.db2.gz INYDJLKDQOBMRU-SCZZXKLOSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1cc(F)ccc1F 85888987 573191346 /nfs/dbraw/zinc/19/13/46/573191346.db2.gz KNVIVIZLYITGDJ-WKEGUHRASA-N 0 0 197.184 2.158 10 30 AEEERN N#Cc1onc(C2CCCCC2)c1N 259363500 573191361 /nfs/dbraw/zinc/19/13/61/573191361.db2.gz GUDCFVCWUUHJLA-UHFFFAOYSA-N 0 0 191.234 2.176 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1ccccc1F 85886492 573191362 /nfs/dbraw/zinc/19/13/62/573191362.db2.gz OXFZLOKPVOHTKD-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN COc1cnc(C(C)C)cc1C#N 258572606 573191363 /nfs/dbraw/zinc/19/13/63/573191363.db2.gz KFMRYSHIIAMUFF-UHFFFAOYSA-N 0 0 176.219 2.085 10 30 AEEERN N#CC1([C@@H](O)c2ccco2)CCC1 85884558 573191388 /nfs/dbraw/zinc/19/13/88/573191388.db2.gz CHWMSNFVDRWJNQ-VIFPVBQESA-N 0 0 177.203 2.007 10 30 AEEERN CC(C)[C@H](O)C1(C#N)CCCCC1 85886223 573191398 /nfs/dbraw/zinc/19/13/98/573191398.db2.gz QWMBHWBWCSQYQU-JTQLQIEISA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1cccc(F)c1 85886545 573191405 /nfs/dbraw/zinc/19/14/05/573191405.db2.gz HUBHWHYPONLQIZ-XVKPBYJWSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)c1ccccn1 85885638 573191430 /nfs/dbraw/zinc/19/14/30/573191430.db2.gz JQHHIXLERKPMCE-MNOVXSKESA-N 0 0 190.246 2.055 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1ccc(F)cc1 85885904 573191436 /nfs/dbraw/zinc/19/14/36/573191436.db2.gz JQPJEYULTMAEDM-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN C[C@H](C#N)[C@@H](O)C1CCCCC1 85887560 573191440 /nfs/dbraw/zinc/19/14/40/573191440.db2.gz ZDFDEPFZSPLFHT-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN N#CC1([C@@H](O)c2ccccc2)CCC1 85884413 573191447 /nfs/dbraw/zinc/19/14/47/573191447.db2.gz XHKYXPDBXKIYSM-NSHDSACASA-N 0 0 187.242 2.414 10 30 AEEERN CCO[C@@H]1C(C)=C(C)CC[C@H]1C=O 238300879 573191452 /nfs/dbraw/zinc/19/14/52/573191452.db2.gz VPHQNIDJXJMAGF-WDEREUQCSA-N 0 0 182.263 2.337 10 30 AEEERN C[C@H](C#N)[C@H](O)c1ccccc1F 85886469 573191489 /nfs/dbraw/zinc/19/14/89/573191489.db2.gz HMILTLJBOMCQEW-XCBNKYQSSA-N 0 0 179.194 2.019 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1ccccc1 85884389 573191540 /nfs/dbraw/zinc/19/15/40/573191540.db2.gz KCNXDVXKPJLPBY-KOLCDFICSA-N 0 0 175.231 2.270 10 30 AEEERN N#CC1([C@H](O)C2CC2)CCCCC1 85888916 573191545 /nfs/dbraw/zinc/19/15/45/573191545.db2.gz BNYQDGWFJATVGX-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN Cc1ccc([C@@H](O)C2(C#N)CCC2)o1 85884150 573191563 /nfs/dbraw/zinc/19/15/63/573191563.db2.gz UNDLCMSYQJMDJK-SNVBAGLBSA-N 0 0 191.230 2.315 10 30 AEEERN C[C@H](C#N)[C@H](O)c1ccc(F)cc1F 85887893 573191569 /nfs/dbraw/zinc/19/15/69/573191569.db2.gz LNDSGOHAGQYCSJ-LDWIPMOCSA-N 0 0 197.184 2.158 10 30 AEEERN Cc1ccccc1[C@H](O)[C@H](C)C#N 85887327 573191582 /nfs/dbraw/zinc/19/15/82/573191582.db2.gz ZQJPXCJQNZXQTQ-MWLCHTKSSA-N 0 0 175.231 2.188 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1ccc(F)c(F)c1 85886968 573191619 /nfs/dbraw/zinc/19/16/19/573191619.db2.gz JVJXBQVBHNZUON-QUBYGPBYSA-N 0 0 197.184 2.158 10 30 AEEERN C[C@H](C#N)[C@H](O)c1cccc(F)c1 85886553 573191648 /nfs/dbraw/zinc/19/16/48/573191648.db2.gz HUBHWHYPONLQIZ-XCBNKYQSSA-N 0 0 179.194 2.019 10 30 AEEERN N#Cc1cc2c(C3CC3)[nH]sc-2n1 259363779 573191677 /nfs/dbraw/zinc/19/16/77/573191677.db2.gz NMCXEQNNTXCRNO-UHFFFAOYSA-N 0 0 189.243 2.373 10 30 AEEERN Cc1ccc([C@H](O)[C@H](C)C#N)cc1 85886754 573191691 /nfs/dbraw/zinc/19/16/91/573191691.db2.gz DCIZPYNIMFKUCK-MWLCHTKSSA-N 0 0 175.231 2.188 10 30 AEEERN C=CCCC(=O)N1[C@@H](C)CC1(C)C 308302597 573192499 /nfs/dbraw/zinc/19/24/99/573192499.db2.gz MTWHZBOOVAEYKT-VIFPVBQESA-N 0 0 181.279 2.352 10 30 AEEERN Cc1ccc([C@H](O)[C@@H](C)C#N)cc1 85886752 573191740 /nfs/dbraw/zinc/19/17/40/573191740.db2.gz DCIZPYNIMFKUCK-GXSJLCMTSA-N 0 0 175.231 2.188 10 30 AEEERN Cc1ccc([C@@H](O)[C@H](C)C#N)cc1F 85888751 573191754 /nfs/dbraw/zinc/19/17/54/573191754.db2.gz XTXDFRJRSAYZGX-KCJUWKMLSA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1ccsc1 85884979 573191772 /nfs/dbraw/zinc/19/17/72/573191772.db2.gz OGAYUVDIKONSGL-CBAPKCEASA-N 0 0 181.260 2.331 10 30 AEEERN CCc1ccc([C@H](O)[C@H](C)C#N)o1 85888674 573191780 /nfs/dbraw/zinc/19/17/80/573191780.db2.gz TZLGZCJUMMGHHK-GMSGAONNSA-N 0 0 179.219 2.035 10 30 AEEERN Cc1ccc([C@H](O)[C@@H](C)C#N)s1 85887064 573191825 /nfs/dbraw/zinc/19/18/25/573191825.db2.gz OFGRYPHKQBXQDF-IMTBSYHQSA-N 0 0 181.260 2.250 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1ccc(F)cc1F 85887890 573191871 /nfs/dbraw/zinc/19/18/71/573191871.db2.gz LNDSGOHAGQYCSJ-WKEGUHRASA-N 0 0 197.184 2.158 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1ccc(F)cc1F 85887899 573191887 /nfs/dbraw/zinc/19/18/87/573191887.db2.gz LNDSGOHAGQYCSJ-LHLIQPBNSA-N 0 0 197.184 2.158 10 30 AEEERN C[C@@H](C#N)[C@@H](O)c1c(F)cccc1F 85886898 573191897 /nfs/dbraw/zinc/19/18/97/573191897.db2.gz DLDTVBHDCAYYIW-QUBYGPBYSA-N 0 0 197.184 2.158 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1cccc(F)c1 85886560 573191934 /nfs/dbraw/zinc/19/19/34/573191934.db2.gz HUBHWHYPONLQIZ-GMSGAONNSA-N 0 0 179.194 2.019 10 30 AEEERN C[C@@H](CC#N)[S@@](=O)c1ccccc1 82788103 573191944 /nfs/dbraw/zinc/19/19/44/573191944.db2.gz AWXYBIJTTPUNAZ-ZANVPECISA-N 0 0 193.271 2.096 10 30 AEEERN C#CCCc1cccs1 78326776 573191964 /nfs/dbraw/zinc/19/19/64/573191964.db2.gz XBHNXHCGTMXJRT-UHFFFAOYSA-N 0 0 136.219 2.314 10 30 AEEERN CC[C@H]1C=CC(=O)CC=CC1 90373009 573192038 /nfs/dbraw/zinc/19/20/38/573192038.db2.gz IUDPZJJZHCDFBU-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1ccc([S@@](=O)[C@@H](C)C#N)cc1 82788169 573192123 /nfs/dbraw/zinc/19/21/23/573192123.db2.gz OBYBXWXBSWACFP-TVQRCGJNSA-N 0 0 193.271 2.015 10 30 AEEERN C=CC[C@]1(C)C=CC=CC1=O 142265707 573192127 /nfs/dbraw/zinc/19/21/27/573192127.db2.gz ZWJOXEQYYMSFBR-SNVBAGLBSA-N 0 0 148.205 2.264 10 30 AEEERN Cc1ccc([S@@](=O)[C@H](C)C#N)cc1 82788172 573192244 /nfs/dbraw/zinc/19/22/44/573192244.db2.gz OBYBXWXBSWACFP-NOZJJQNGSA-N 0 0 193.271 2.015 10 30 AEEERN C/C=C(/C)C(=O)O[C@@H](C#N)C(C)C 308303827 573192271 /nfs/dbraw/zinc/19/22/71/573192271.db2.gz NGYZNRNSXFQQFQ-RDOCRHDPSA-N 0 0 181.235 2.044 10 30 AEEERN C[C@@H](C#N)c1cnc2cc[nH]cc1-2 74310497 573192281 /nfs/dbraw/zinc/19/22/81/573192281.db2.gz LUUYJJHEPWSLOR-ZETCQYMHSA-N 0 0 171.203 2.190 10 30 AEEERN CC[C@H](C#N)[S@@](=O)c1ccccc1 82788113 573192293 /nfs/dbraw/zinc/19/22/93/573192293.db2.gz FTPDJDHPURWNRQ-RNCFNFMXSA-N 0 0 193.271 2.096 10 30 AEEERN C[C@H](CC#N)[S@@](=O)c1ccccc1 82788104 573192383 /nfs/dbraw/zinc/19/23/83/573192383.db2.gz AWXYBIJTTPUNAZ-RNCFNFMXSA-N 0 0 193.271 2.096 10 30 AEEERN C/C=C(/CC)C(=O)OC[C@@H](C)C#N 308303405 573192410 /nfs/dbraw/zinc/19/24/10/573192410.db2.gz NEQAQLPEBGROBW-ZKUGPGMGSA-N 0 0 181.235 2.046 10 30 AEEERN Cc1cc(C)cc([C@@H](O)[C@H](C)C#N)c1 85889326 573194649 /nfs/dbraw/zinc/19/46/49/573194649.db2.gz TWJVTSHRXHVIGQ-PWSUYJOCSA-N 0 0 189.258 2.497 10 30 AEEERN N#CC1([C@H](O)c2ccoc2)CCCC1 85889089 573193956 /nfs/dbraw/zinc/19/39/56/573193956.db2.gz DCDXOXJXHZIDMS-SNVBAGLBSA-N 0 0 191.230 2.397 10 30 AEEERN C[C@H](C#N)[C@@H](O)c1cc(F)ccc1F 85888995 573193971 /nfs/dbraw/zinc/19/39/71/573193971.db2.gz KNVIVIZLYITGDJ-LHLIQPBNSA-N 0 0 197.184 2.158 10 30 AEEERN C[C@@H]1CCC[C@@H]([S@@](=O)CCC#N)C1 82787865 573193170 /nfs/dbraw/zinc/19/31/70/573193170.db2.gz OQJJWUYQDMIFEV-GIPNMCIBSA-N 0 0 199.319 2.227 10 30 AEEERN CCc1ccccc1[C@H](O)[C@@H](C)C#N 85889547 573193203 /nfs/dbraw/zinc/19/32/03/573193203.db2.gz LRCUIORECROXBV-JOYOIKCWSA-N 0 0 189.258 2.442 10 30 AEEERN CCOC(=O)[C@H](C#N)C(CC)CC 36437042 573193212 /nfs/dbraw/zinc/19/32/12/573193212.db2.gz PMGOTRBPIFDHHP-SECBINFHSA-N 0 0 183.251 2.125 10 30 AEEERN CC[C@@H](C=O)Nc1ccccc1 238300902 573193227 /nfs/dbraw/zinc/19/32/27/573193227.db2.gz AJWCPSPGBOABGH-VIFPVBQESA-N 0 0 163.220 2.076 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)c1ccoc1 85889053 573193229 /nfs/dbraw/zinc/19/32/29/573193229.db2.gz FOXCMJQJLKRDMN-NXEZZACHSA-N 0 0 179.219 2.253 10 30 AEEERN N#CC1([C@@H](O)C2CCCC2)CCC1 85889804 573193239 /nfs/dbraw/zinc/19/32/39/573193239.db2.gz WTMRKDWLJSHFMV-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN Cc1cc(C)cc([C@H](O)[C@H](C)C#N)c1 85889323 573193254 /nfs/dbraw/zinc/19/32/54/573193254.db2.gz TWJVTSHRXHVIGQ-ZYHUDNBSSA-N 0 0 189.258 2.497 10 30 AEEERN C/C=C(\CC)C(=O)OC[C@@H](C)C#N 308303402 573193262 /nfs/dbraw/zinc/19/32/62/573193262.db2.gz NEQAQLPEBGROBW-DHFUWRPHSA-N 0 0 181.235 2.046 10 30 AEEERN N#CC1([C@H](O)[C@H]2CC=CCC2)CCC1 85890734 573193270 /nfs/dbraw/zinc/19/32/70/573193270.db2.gz JWNXPJDSDNWJOI-WDEREUQCSA-N 0 0 191.274 2.397 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)C1CCCC1 85889724 573193303 /nfs/dbraw/zinc/19/33/03/573193303.db2.gz MNCNSUCQPCRVJH-QWRGUYRKSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@@H](O)[C@@](C)(C#N)CC 85890201 573193329 /nfs/dbraw/zinc/19/33/29/573193329.db2.gz ZEVHHNKVBCKNLO-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CCCCC[C@H](O)[C@@H](C#N)CC 85892627 573193367 /nfs/dbraw/zinc/19/33/67/573193367.db2.gz UAPXRLWWVIEQNX-ZJUUUORDSA-N 0 0 169.268 2.477 10 30 AEEERN N#CC1([C@@H](O)c2ccoc2)CCCC1 85889085 573193374 /nfs/dbraw/zinc/19/33/74/573193374.db2.gz DCDXOXJXHZIDMS-JTQLQIEISA-N 0 0 191.230 2.397 10 30 AEEERN CC[C@@H](C#N)[C@H](O)C1CCCC1 85889769 573193381 /nfs/dbraw/zinc/19/33/81/573193381.db2.gz YNXLEBDTQFANAO-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@H](O)[C@H]1CC=CCC1 85890707 573193416 /nfs/dbraw/zinc/19/34/16/573193416.db2.gz QSKSALVJGPTGGT-VWYCJHECSA-N 0 0 179.263 2.253 10 30 AEEERN CC(C)(C)C[C@@H](O)C(C)(C)C#N 85892754 573193424 /nfs/dbraw/zinc/19/34/24/573193424.db2.gz IAMZSHRBYCHTDO-MRVPVSSYSA-N 0 0 169.268 2.333 10 30 AEEERN C=CCc1noc(/C=C/C=C/C)n1 308302490 573193494 /nfs/dbraw/zinc/19/34/94/573193494.db2.gz MOHMWFUDRHHLHA-QFXXITGJSA-N 0 0 176.219 2.387 10 30 AEEERN C=C(C)[C@@H](C#N)OC(=O)[C@@H](C)CC 308301129 573193516 /nfs/dbraw/zinc/19/35/16/573193516.db2.gz LYEPQKCPBYZMPG-DTWKUNHWSA-N 0 0 181.235 2.044 10 30 AEEERN Cc1ccsc1[C@@](C)(O)[C@@H](C)C#N 85892893 573193525 /nfs/dbraw/zinc/19/35/25/573193525.db2.gz CSYPZERDBABTGK-WPRPVWTQSA-N 0 0 195.287 2.424 10 30 AEEERN C[C@@H](O)C1(C#N)CCCCCC1 85891173 573193533 /nfs/dbraw/zinc/19/35/33/573193533.db2.gz FRZRZDZLXVBBHF-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN CC(C)(C#N)[C@@H](O)Cc1ccccc1 85890844 573193564 /nfs/dbraw/zinc/19/35/64/573193564.db2.gz KFOIXLUPHNMJGH-NSHDSACASA-N 0 0 189.258 2.140 10 30 AEEERN CC(C)(C)[C@]1(C)OC[C@H](CC#N)O1 258573818 573193587 /nfs/dbraw/zinc/19/35/87/573193587.db2.gz IVKUWUIHMZDGLV-WCBMZHEXSA-N 0 0 183.251 2.078 10 30 AEEERN Cc1ccc([S@](=O)[C@H](C)C#N)cc1 82788174 573193625 /nfs/dbraw/zinc/19/36/25/573193625.db2.gz OBYBXWXBSWACFP-RNCFNFMXSA-N 0 0 193.271 2.015 10 30 AEEERN C#C[C@@H](C)[C@]1(C)C=CC=C(C)C1=O 142266391 573193649 /nfs/dbraw/zinc/19/36/49/573193649.db2.gz WKCHSIDOXJDPTG-PWSUYJOCSA-N 0 0 174.243 2.347 10 30 AEEERN Cc1ccsc1[C@](C)(O)[C@@H](C)C#N 85892888 573193674 /nfs/dbraw/zinc/19/36/74/573193674.db2.gz CSYPZERDBABTGK-WCBMZHEXSA-N 0 0 195.287 2.424 10 30 AEEERN C[C@@H](c1ccccc1)[C@@H](O)[C@H](C)C#N 85891948 573193739 /nfs/dbraw/zinc/19/37/39/573193739.db2.gz AIMIWOILOURRGO-SCVCMEIPSA-N 0 0 189.258 2.311 10 30 AEEERN CC(C)C[C@H](O)C1(C#N)CCCC1 85890462 573193763 /nfs/dbraw/zinc/19/37/63/573193763.db2.gz NYZMYCABDVIJSJ-JTQLQIEISA-N 0 0 181.279 2.477 10 30 AEEERN C=C(C)[C@@H](C#N)OC(=O)[C@H](C)CC 308301131 573194005 /nfs/dbraw/zinc/19/40/05/573194005.db2.gz LYEPQKCPBYZMPG-RKDXNWHRSA-N 0 0 181.235 2.044 10 30 AEEERN CC[C@H](O)[C@]1(C#N)CCC[C@H](C)C1 85891190 573193807 /nfs/dbraw/zinc/19/38/07/573193807.db2.gz DNRYBPGKJUHHJO-GARJFASQSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C)[C@@]1(C)OC[C@H](CC#N)O1 258573822 573193808 /nfs/dbraw/zinc/19/38/08/573193808.db2.gz IVKUWUIHMZDGLV-WPRPVWTQSA-N 0 0 183.251 2.078 10 30 AEEERN N#CC1([C@H](O)[C@@H]2CC=CCC2)CCC1 85890739 573193872 /nfs/dbraw/zinc/19/38/72/573193872.db2.gz JWNXPJDSDNWJOI-GHMZBOCLSA-N 0 0 191.274 2.397 10 30 AEEERN CC(C)(C)[C@@H](O)C1(C#N)CCC1 85892480 573193898 /nfs/dbraw/zinc/19/38/98/573193898.db2.gz MSRNISFBYXSSMO-MRVPVSSYSA-N 0 0 167.252 2.087 10 30 AEEERN CCCC[C@@H](O)C(C)(C)C#N 85891586 573193905 /nfs/dbraw/zinc/19/39/05/573193905.db2.gz UQKGPODCKLQMLP-MRVPVSSYSA-N 0 0 155.241 2.087 10 30 AEEERN CCC1CCC(C#N)(CO)CC1 85893160 573193931 /nfs/dbraw/zinc/19/39/31/573193931.db2.gz NKNCXZSENPNGIS-UHFFFAOYSA-N 0 0 167.252 2.089 10 30 AEEERN C[C@@H](C#N)[S@](=O)[C@H]1CCC[C@@H](C)C1 82787884 573193936 /nfs/dbraw/zinc/19/39/36/573193936.db2.gz PDNFTGTVOKIQKQ-KEPMVKOISA-N 0 0 199.319 2.226 10 30 AEEERN CC(C)(C)[C@@H](O)C1(C#N)CCCC1 85892414 573194922 /nfs/dbraw/zinc/19/49/22/573194922.db2.gz MEQDHHVUJOEZRC-SECBINFHSA-N 0 0 181.279 2.477 10 30 AEEERN CCCC[C@H](O)C(C)(C)C#N 85891582 573194528 /nfs/dbraw/zinc/19/45/28/573194528.db2.gz UQKGPODCKLQMLP-QMMMGPOBSA-N 0 0 155.241 2.087 10 30 AEEERN CC1CCC(C#N)([C@@H](C)O)CC1 85891099 573194535 /nfs/dbraw/zinc/19/45/35/573194535.db2.gz NRIJIRHKNDUGLX-HWOCKDDLSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@@H](O)C1CCCC1 85889784 573194573 /nfs/dbraw/zinc/19/45/73/573194573.db2.gz YNXLEBDTQFANAO-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1cc([C@@H](O)[C@@H](C)C#N)ccc1F 85889269 573194618 /nfs/dbraw/zinc/19/46/18/573194618.db2.gz WRDICIWEUXOGSM-KWQFWETISA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@H](O)[C@]1(C#N)CC[C@H](C)C1 85891406 573194635 /nfs/dbraw/zinc/19/46/35/573194635.db2.gz DAVSGRLDRKYIAX-LPEHRKFASA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@H](O)C1CCCC1 85889772 573194655 /nfs/dbraw/zinc/19/46/55/573194655.db2.gz YNXLEBDTQFANAO-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H]1CCC[C@](C#N)(CO)C1 85893075 573194668 /nfs/dbraw/zinc/19/46/68/573194668.db2.gz RMLVWNVAJJLBGT-UWVGGRQHSA-N 0 0 167.252 2.089 10 30 AEEERN Cc1ccc([S@@](=O)CCC#N)cc1 82788163 573194673 /nfs/dbraw/zinc/19/46/73/573194673.db2.gz IHZPGNZNBQVFPX-CYBMUJFWSA-N 0 0 193.271 2.016 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)([C@H](O)CC)C1 85891273 573194674 /nfs/dbraw/zinc/19/46/74/573194674.db2.gz PJHLCMVUIYARMN-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCc1noc(/C=C/C=C\C)n1 308302488 573194677 /nfs/dbraw/zinc/19/46/77/573194677.db2.gz MOHMWFUDRHHLHA-CUKJDEOPSA-N 0 0 176.219 2.387 10 30 AEEERN C[C@@H](C#N)[C@H](O)c1cccc(F)c1F 85889368 573194694 /nfs/dbraw/zinc/19/46/94/573194694.db2.gz CPCRBDYXWRXWEI-WKEGUHRASA-N 0 0 197.184 2.158 10 30 AEEERN N#CC1([C@@H](O)[C@@H]2CC=CCC2)CCC1 85890742 573194707 /nfs/dbraw/zinc/19/47/07/573194707.db2.gz JWNXPJDSDNWJOI-MNOVXSKESA-N 0 0 191.274 2.397 10 30 AEEERN C=COc1cc(C#N)cc(OC)c1 234807861 573194778 /nfs/dbraw/zinc/19/47/78/573194778.db2.gz XHHUUXPWUHSPIO-UHFFFAOYSA-N 0 0 175.187 2.089 10 30 AEEERN CC[C@H]1CCC[C@@](C#N)(CO)C1 85893082 573194782 /nfs/dbraw/zinc/19/47/82/573194782.db2.gz RMLVWNVAJJLBGT-VHSXEESVSA-N 0 0 167.252 2.089 10 30 AEEERN CCc1ccccc1[C@@H](O)[C@H](C)C#N 85889554 573194805 /nfs/dbraw/zinc/19/48/05/573194805.db2.gz LRCUIORECROXBV-SKDRFNHKSA-N 0 0 189.258 2.442 10 30 AEEERN Cc1cc([C@@H](O)[C@H](C)C#N)ccc1F 85889276 573194822 /nfs/dbraw/zinc/19/48/22/573194822.db2.gz WRDICIWEUXOGSM-KCJUWKMLSA-N 0 0 193.221 2.327 10 30 AEEERN C=C(Cl)C[C@@H](C)[C@@H](C)O 642867271 573194828 /nfs/dbraw/zinc/19/48/28/573194828.db2.gz PJLZINPRPZMJSG-IYSWYEEDSA-N 0 0 148.633 2.146 10 30 AEEERN CC[C@H](O)C1(C#N)CCC(C)CC1 85891446 573194865 /nfs/dbraw/zinc/19/48/65/573194865.db2.gz GYURKKFYVRHSER-YVNMAJEFSA-N 0 0 181.279 2.477 10 30 AEEERN C=C[C@H](C)NC(=O)/C=C/C(C)=C\C 308301176 573195237 /nfs/dbraw/zinc/19/52/37/573195237.db2.gz MBLTXTMWYZZJRO-UPEVEPHTSA-N 0 0 179.263 2.200 10 30 AEEERN Cc1cc(F)ccc1[C@@H](O)[C@@H](C)C#N 85889513 573194891 /nfs/dbraw/zinc/19/48/91/573194891.db2.gz KZNJVVFFFJIPAA-KWQFWETISA-N 0 0 193.221 2.327 10 30 AEEERN CC[C@@H](O)C1(C#N)CCCCC1 85891454 573194898 /nfs/dbraw/zinc/19/48/98/573194898.db2.gz GGMWQNVRQSTIIG-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN C/C=C(\CC)C(=O)OC[C@H](C)C#N 308303404 573194961 /nfs/dbraw/zinc/19/49/61/573194961.db2.gz NEQAQLPEBGROBW-SXPLAPADSA-N 0 0 181.235 2.046 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)c1ccoc1 85889060 573194969 /nfs/dbraw/zinc/19/49/69/573194969.db2.gz FOXCMJQJLKRDMN-VHSXEESVSA-N 0 0 179.219 2.253 10 30 AEEERN Cc1ccc([S@](=O)[C@@H](C)C#N)cc1 82788171 573195025 /nfs/dbraw/zinc/19/50/25/573195025.db2.gz OBYBXWXBSWACFP-ZANVPECISA-N 0 0 193.271 2.015 10 30 AEEERN Cc1ccc([S@](=O)CCC#N)cc1 82788164 573195055 /nfs/dbraw/zinc/19/50/55/573195055.db2.gz IHZPGNZNBQVFPX-ZDUSSCGKSA-N 0 0 193.271 2.016 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)([C@@H](C)O)C1 85890949 573195060 /nfs/dbraw/zinc/19/50/60/573195060.db2.gz VPBYSQHUHURIDU-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CCCC[C@]1(O)[C@@H](C)C#N 85894046 573195113 /nfs/dbraw/zinc/19/51/13/573195113.db2.gz WLAMPDHEFIEZTR-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN CCC(C)(C)C=NN1CCCC1=O 308303063 573195118 /nfs/dbraw/zinc/19/51/18/573195118.db2.gz MYSZXSFMKMSKON-UHFFFAOYSA-N 0 0 182.267 2.031 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)C1CCCC1 85889717 573195125 /nfs/dbraw/zinc/19/51/25/573195125.db2.gz MNCNSUCQPCRVJH-MNOVXSKESA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](O)[C@]1(C#N)CC[C@H](C)C1 85890263 573195155 /nfs/dbraw/zinc/19/51/55/573195155.db2.gz HBQDSSYNDHFWDE-GARJFASQSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)[C@H](O)[C@H]1CC=CCC1 85890647 573195162 /nfs/dbraw/zinc/19/51/62/573195162.db2.gz UXRPFFNWOUTPHD-VHSXEESVSA-N 0 0 179.263 2.253 10 30 AEEERN Cc1cc(C)cc([C@H](O)[C@@H](C)C#N)c1 85889317 573195179 /nfs/dbraw/zinc/19/51/79/573195179.db2.gz TWJVTSHRXHVIGQ-CMPLNLGQSA-N 0 0 189.258 2.497 10 30 AEEERN O=CC[C@H](O)c1ccc(C2CC2)cc1 159408332 573196909 /nfs/dbraw/zinc/19/69/09/573196909.db2.gz KPLICFKTILOJNN-LBPRGKRZSA-N 0 0 190.242 2.186 10 30 AEEERN C[C@H](O)C1(C#N)CCCCCC1 85891169 573196264 /nfs/dbraw/zinc/19/62/64/573196264.db2.gz FRZRZDZLXVBBHF-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC(C)(C)C[C@H](O)C1(C#N)CCC1 85892804 573196320 /nfs/dbraw/zinc/19/63/20/573196320.db2.gz XOPQEBKMCAXDAB-VIFPVBQESA-N 0 0 181.279 2.477 10 30 AEEERN SCc1cccc2c1CCCN2 257965892 573196323 /nfs/dbraw/zinc/19/63/23/573196323.db2.gz DDRZFRMJGHYFLC-UHFFFAOYSA-N 0 0 179.288 2.475 10 30 AEEERN CCCC1CCC(C#N)(CO)CC1 85893138 573196294 /nfs/dbraw/zinc/19/62/94/573196294.db2.gz FAOUVILJJITORM-UHFFFAOYSA-N 0 0 181.279 2.479 10 30 AEEERN CC(C)C1CCC(C#N)(CO)CC1 85893144 573196299 /nfs/dbraw/zinc/19/62/99/573196299.db2.gz GMCRRLOLRUBVFM-UHFFFAOYSA-N 0 0 181.279 2.335 10 30 AEEERN CCCC[C@H](O)[C@](C)(C#N)CC 85891563 573196330 /nfs/dbraw/zinc/19/63/30/573196330.db2.gz MQTQNOUPVQKPSJ-UWVGGRQHSA-N 0 0 169.268 2.477 10 30 AEEERN CC[C@H](O)[C@@H](C#N)c1ccccc1 238309678 573196364 /nfs/dbraw/zinc/19/63/64/573196364.db2.gz CMPFQXKAJMYFKL-QWRGUYRKSA-N 0 0 175.231 2.065 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCCC(C)(C)C1 85894290 573196815 /nfs/dbraw/zinc/19/68/15/573196815.db2.gz JJCYZNLQSGMLIQ-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)[C@@H](C)C#Cc1ccccc1 238309740 573196597 /nfs/dbraw/zinc/19/65/97/573196597.db2.gz IWYADHFETAWIQQ-AAEUAGOBSA-N 0 0 188.270 2.445 10 30 AEEERN Cc1ccccc1[S@@](=O)CCC#N 82789187 573196666 /nfs/dbraw/zinc/19/66/66/573196666.db2.gz WOFYIQMWRWJRTO-CYBMUJFWSA-N 0 0 193.271 2.016 10 30 AEEERN CS[C@@H]1CCCCC1=NNC1CC1 308306305 573196704 /nfs/dbraw/zinc/19/67/04/573196704.db2.gz OCHZBKKHVVAOSY-SNVBAGLBSA-N 0 0 198.335 2.400 10 30 AEEERN CC1CCC([C@@H](O)[C@@H](C)C#N)CC1 85896446 573196840 /nfs/dbraw/zinc/19/68/40/573196840.db2.gz KHUWWCINSZIXOO-YIYTYNFBSA-N 0 0 181.279 2.333 10 30 AEEERN C[C@H](CC#N)[S@@](=O)C1CCCCC1 82789266 573196851 /nfs/dbraw/zinc/19/68/51/573196851.db2.gz GXHCREMHGHODDX-RNCFNFMXSA-N 0 0 199.319 2.370 10 30 AEEERN CC[C@H](C#N)[S@@](=O)C1CCCCC1 82789272 573196921 /nfs/dbraw/zinc/19/69/21/573196921.db2.gz JHBFUCGVTJSNPU-RNCFNFMXSA-N 0 0 199.319 2.370 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCCC(C)(C)C1 85894293 573197007 /nfs/dbraw/zinc/19/70/07/573197007.db2.gz JJCYZNLQSGMLIQ-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)Cc1c[nH]c2cnccc12 74281464 573197064 /nfs/dbraw/zinc/19/70/64/573197064.db2.gz RHFHRNGQWGOLOP-QMMMGPOBSA-N 0 0 185.230 2.265 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CC[C@@H](C)C[C@H]1C 85894981 573197096 /nfs/dbraw/zinc/19/70/96/573197096.db2.gz FHLRANLDZALWHG-CHWFTXMASA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@H](C)C(=O)O[C@H](C#N)C(C)C 308304206 573197124 /nfs/dbraw/zinc/19/71/24/573197124.db2.gz NMLDQSKPXJNDNW-DTWKUNHWSA-N 0 0 183.251 2.124 10 30 AEEERN C[C@H]1CC[C@](O)(C(C)(C)C#N)C1 85894376 573197172 /nfs/dbraw/zinc/19/71/72/573197172.db2.gz NNERMLFJDQRUOR-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1cccc([S@](=O)[C@H](C)C#N)c1 82789526 573197208 /nfs/dbraw/zinc/19/72/08/573197208.db2.gz UDOHORPQLMWVAE-RNCFNFMXSA-N 0 0 193.271 2.015 10 30 AEEERN CC1CCC([C@H](O)[C@@H](C)C#N)CC1 85896445 573197681 /nfs/dbraw/zinc/19/76/81/573197681.db2.gz KHUWWCINSZIXOO-QONHTCSSSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@@H](C#N)[S@@](=O)C1CCCCC1 82789271 573197292 /nfs/dbraw/zinc/19/72/92/573197292.db2.gz JHBFUCGVTJSNPU-ZANVPECISA-N 0 0 199.319 2.370 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCC[C@@H](C)CC1 85895838 573197307 /nfs/dbraw/zinc/19/73/07/573197307.db2.gz VQRKFTWCURUEOC-VWYCJHECSA-N 0 0 181.279 2.477 10 30 AEEERN COc1c(C)ccc2[nH]c(C#N)cc12 225863224 573197328 /nfs/dbraw/zinc/19/73/28/573197328.db2.gz RSNSYFCOMSFVHJ-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN CC[C@H](O)C#C[Si](C)(C)CC 238302735 573197367 /nfs/dbraw/zinc/19/73/67/573197367.db2.gz MCERUSIZUMUTAN-VIFPVBQESA-N 0 0 170.328 2.028 10 30 AEEERN C[C@H]1CCC[C@@]1(O)C(C)(C)C#N 85895476 573197407 /nfs/dbraw/zinc/19/74/07/573197407.db2.gz ILWYRCKPQBMSEZ-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H]1CCC[C@]1(O)C1(C#N)CCC1 85895550 573197477 /nfs/dbraw/zinc/19/74/77/573197477.db2.gz BUQWBYPUQGGLNF-GXSJLCMTSA-N 0 0 179.263 2.231 10 30 AEEERN CC(C)C[S@@](=O)[C@@H]1CCC[C@@H]1C#N 82789033 573197493 /nfs/dbraw/zinc/19/74/93/573197493.db2.gz NPKYEMNBBRRPDJ-BREBYQMCSA-N 0 0 199.319 2.083 10 30 AEEERN O=CC[C@H](O)c1ccccc1C1CC1 159408057 573197552 /nfs/dbraw/zinc/19/75/52/573197552.db2.gz FYKBYCXKEJMRKU-LBPRGKRZSA-N 0 0 190.242 2.186 10 30 AEEERN O=CC[C@@H](O)c1ccc(C2CC2)cc1 159408200 573197577 /nfs/dbraw/zinc/19/75/77/573197577.db2.gz KPLICFKTILOJNN-GFCCVEGCSA-N 0 0 190.242 2.186 10 30 AEEERN CC[C@H](O)C#Cc1cccc(C)c1 238302817 573197580 /nfs/dbraw/zinc/19/75/80/573197580.db2.gz YXJXHTNRZMFTCS-LBPRGKRZSA-N 0 0 174.243 2.117 10 30 AEEERN C[C@H](C#N)[C@H](O)C1CCCCCC1 85896379 573197585 /nfs/dbraw/zinc/19/75/85/573197585.db2.gz PZFCHGBZMBRMIC-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN CS[C@H]1CCCCC1=NNC1CC1 308306304 573197629 /nfs/dbraw/zinc/19/76/29/573197629.db2.gz OCHZBKKHVVAOSY-JTQLQIEISA-N 0 0 198.335 2.400 10 30 AEEERN O=CC[C@@H](O)c1ccccc1C1CC1 159407962 573197640 /nfs/dbraw/zinc/19/76/40/573197640.db2.gz FYKBYCXKEJMRKU-GFCCVEGCSA-N 0 0 190.242 2.186 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CC[C@H](C)C1 85894423 573197688 /nfs/dbraw/zinc/19/76/88/573197688.db2.gz OQILALOVCSRDJX-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)[S@@](=O)[C@@H]1CCCC[C@@H]1C#N 82789310 573197702 /nfs/dbraw/zinc/19/77/02/573197702.db2.gz UHYJGQBBTPQMRJ-BREBYQMCSA-N 0 0 199.319 2.226 10 30 AEEERN CC[S@@](=O)[C@H]1CCCCC[C@@H]1C#N 82788589 573197727 /nfs/dbraw/zinc/19/77/27/573197727.db2.gz XSGIOTSSFYARDL-NRUUGDAUSA-N 0 0 199.319 2.227 10 30 AEEERN C[C@@H]1CCC[C@@]1(O)C(C)(C)C#N 85895472 573197788 /nfs/dbraw/zinc/19/77/88/573197788.db2.gz ILWYRCKPQBMSEZ-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CC[C@H](C#N)[C@H]([S@](C)=O)C1 82789499 573197812 /nfs/dbraw/zinc/19/78/12/573197812.db2.gz IJEIQUMMIYXWJR-VWMGYNLJSA-N 0 0 199.319 2.083 10 30 AEEERN CC[C@@H]1CC[C@](O)([C@@H](C)C#N)C1 85894528 573197822 /nfs/dbraw/zinc/19/78/22/573197822.db2.gz GBNSRIPGAIVIRL-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H](C#N)[C@@H](O)C1CCCCCC1 85896385 573197915 /nfs/dbraw/zinc/19/79/15/573197915.db2.gz PZFCHGBZMBRMIC-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN N#CC1(C2(O)CCC2)CCCCC1 85898221 573197954 /nfs/dbraw/zinc/19/79/54/573197954.db2.gz SISVOCNXWXEMGE-UHFFFAOYSA-N 0 0 179.263 2.375 10 30 AEEERN C[C@H]1CC[C@@](C#N)(C2(O)CCC2)C1 85898206 573198006 /nfs/dbraw/zinc/19/80/06/573198006.db2.gz GHCZAZWTTNCNHO-VHSXEESVSA-N 0 0 179.263 2.231 10 30 AEEERN CCC1([C@@H](C#N)NC(C)C)CCC1 686134307 573198016 /nfs/dbraw/zinc/19/80/16/573198016.db2.gz URFQWGLHEZYDRY-SNVBAGLBSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@](C)(C#N)[C@@]1(O)CC[C@H](C)C1 85894368 573198023 /nfs/dbraw/zinc/19/80/23/573198023.db2.gz WAZBKAYSWIPQCD-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)C[S@](=O)c1cccs1 82788830 573198050 /nfs/dbraw/zinc/19/80/50/573198050.db2.gz UDWQQHWSLYPJER-JMCQJSRRSA-N 0 0 199.300 2.015 10 30 AEEERN CC[S@@](=O)[C@@H]1C[C@H](C)CC[C@@H]1C#N 82788595 573198090 /nfs/dbraw/zinc/19/80/90/573198090.db2.gz GWJNJHREVFIFNV-PRFIWBCESA-N 0 0 199.319 2.083 10 30 AEEERN C[C@H]1C[C@@](O)([C@@H](C)C#N)CC[C@H]1C 85894793 573198147 /nfs/dbraw/zinc/19/81/47/573198147.db2.gz NXPIUDCDISDBHM-VPOLOUISSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCC[C@@H]1C 85895517 573198163 /nfs/dbraw/zinc/19/81/63/573198163.db2.gz WMLDJDBFNHMVAI-AEJSXWLSSA-N 0 0 167.252 2.087 10 30 AEEERN C#CC[C@H](OC(=O)CC)C(C)(C)C 308304983 573198166 /nfs/dbraw/zinc/19/81/66/573198166.db2.gz NZUQINKGSMSYNA-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN C[C@@H](C#N)C[S@](=O)C1CCCCC1 82789262 573198206 /nfs/dbraw/zinc/19/82/06/573198206.db2.gz GDSORHLXAZZJPP-TVQRCGJNSA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@@](O)(C1CC1)C1(C#N)CCC1 85895276 573198229 /nfs/dbraw/zinc/19/82/29/573198229.db2.gz KXQSAHWGMORIKZ-LLVKDONJSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@@H](C)C(=O)O[C@H](C#N)C(C)C 308304208 573198261 /nfs/dbraw/zinc/19/82/61/573198261.db2.gz NMLDQSKPXJNDNW-RKDXNWHRSA-N 0 0 183.251 2.124 10 30 AEEERN O=CC[C@H](F)C1CCCCC1 258584724 573198316 /nfs/dbraw/zinc/19/83/16/573198316.db2.gz SSOKUUPPXZCVFU-VIFPVBQESA-N 0 0 158.216 2.494 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)CCC[C@@H]1C 85895452 573198435 /nfs/dbraw/zinc/19/84/35/573198435.db2.gz JSOXGUPUXAPWNH-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN CCC1([C@H](C#N)NC(C)C)CCC1 686134306 573198437 /nfs/dbraw/zinc/19/84/37/573198437.db2.gz URFQWGLHEZYDRY-JTQLQIEISA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H]1CC[C@@](O)(C(C)(C)C#N)C1 85894378 573198442 /nfs/dbraw/zinc/19/84/42/573198442.db2.gz NNERMLFJDQRUOR-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CC[C@@](O)(C2(C#N)CCC2)C1 85894445 573198508 /nfs/dbraw/zinc/19/85/08/573198508.db2.gz YGSGYYPOFHQYOO-KOLCDFICSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H](C#N)C[S@@](=O)C1CCCCC1 82789259 573198527 /nfs/dbraw/zinc/19/85/27/573198527.db2.gz GDSORHLXAZZJPP-ZANVPECISA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@H](C#N)[S@@](=O)c1cccs1 82788842 573198534 /nfs/dbraw/zinc/19/85/34/573198534.db2.gz JTGFVXLCAXFPLS-KRTXAFLBSA-N 0 0 199.300 2.158 10 30 AEEERN CC(C)(S)c1ccncc1 259367565 573201926 /nfs/dbraw/zinc/20/19/26/573201926.db2.gz VGXHNOGQIHMSMX-UHFFFAOYSA-N 0 0 153.250 2.247 10 30 AEEERN CCCC[C@H](C)N[C@@H](C)C#N 50888206 573201065 /nfs/dbraw/zinc/20/10/65/573201065.db2.gz OONVNFMEMOHRIM-IUCAKERBSA-N 0 0 154.257 2.067 10 30 AEEERN Cc1ccccc1[S@](=O)CCC#N 82789189 573201066 /nfs/dbraw/zinc/20/10/66/573201066.db2.gz WOFYIQMWRWJRTO-ZDUSSCGKSA-N 0 0 193.271 2.016 10 30 AEEERN C[C@@H](C#N)C[S@@](=O)c1cccs1 82788828 573201111 /nfs/dbraw/zinc/20/11/11/573201111.db2.gz UDWQQHWSLYPJER-MADCSZMMSA-N 0 0 199.300 2.015 10 30 AEEERN CC[C@H](CC#N)[S@](=O)CC(C)C 82788983 573201117 /nfs/dbraw/zinc/20/11/17/573201117.db2.gz QFTMGHQYLVNUDQ-SKDRFNHKSA-N 0 0 187.308 2.083 10 30 AEEERN CN[C@H](c1ccccc1)[C@@H](C)C#N 238314109 573201135 /nfs/dbraw/zinc/20/11/35/573201135.db2.gz VBOONMJTMNCXHG-ONGXEEELSA-N 0 0 174.247 2.107 10 30 AEEERN CCN(CS)Cc1ccccc1 258582887 573201316 /nfs/dbraw/zinc/20/13/16/573201316.db2.gz FHRTWVZZLFNOSV-UHFFFAOYSA-N 0 0 181.304 2.396 10 30 AEEERN CC(C)n1cc(C#N)c2ncccc21 259367505 573201414 /nfs/dbraw/zinc/20/14/14/573201414.db2.gz NXACJDZQQDFYPO-UHFFFAOYSA-N 0 0 185.230 2.489 10 30 AEEERN C=C1CCCC(C)(C)[C@@H]1C(=O)NC 238311767 573201435 /nfs/dbraw/zinc/20/14/35/573201435.db2.gz IYDOMKPXHOLQKJ-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN O=C[C@@H]1CC[C@@H]1c1ccccc1O 257967886 573201712 /nfs/dbraw/zinc/20/17/12/573201712.db2.gz YGAVJZYJHANYGG-IUCAKERBSA-N 0 0 176.215 2.085 10 30 AEEERN COc1ccccc1CC(=O)C(C)=O 258484568 573201482 /nfs/dbraw/zinc/20/14/82/573201482.db2.gz BVUZUZSBHOHJLE-YFHOEESVSA-N 0 0 192.214 2.183 10 30 AEEERN C[C@H](CC=O)c1cc(F)ccc1O 257969085 573201518 /nfs/dbraw/zinc/20/15/18/573201518.db2.gz CRELYLGLOUVPTI-SSDOTTSWSA-N 0 0 182.194 2.224 10 30 AEEERN CCC[C@H](C)C(=O)CCC#N 225953462 573201534 /nfs/dbraw/zinc/20/15/34/573201534.db2.gz PRRPUMMPLUYXHW-QMMMGPOBSA-N 0 0 153.225 2.295 10 30 AEEERN C[C@H](CC=O)[Si](C)(C)C 197182953 573201818 /nfs/dbraw/zinc/20/18/18/573201818.db2.gz ZIKXZJFWJBJPBT-SSDOTTSWSA-N 0 0 144.290 2.304 10 30 AEEERN C[C@H](O)c1ccc([C@H](C)CC=O)cc1 257968989 573201825 /nfs/dbraw/zinc/20/18/25/573201825.db2.gz CPPWBSICESNVOL-ZJUUUORDSA-N 0 0 192.258 2.432 10 30 AEEERN CN1CC(=O)C(C#N)=C1c1ccccc1 259367178 573201886 /nfs/dbraw/zinc/20/18/86/573201886.db2.gz HCQCOEQWNUAOJK-UHFFFAOYSA-N 0 0 198.225 2.269 10 30 AEEERN C[C@@H](CC=O)c1cc(F)ccc1O 257969087 573202134 /nfs/dbraw/zinc/20/21/34/573202134.db2.gz CRELYLGLOUVPTI-ZETCQYMHSA-N 0 0 182.194 2.224 10 30 AEEERN C=CCC[C@](C)(C#N)NCC(C)C 132071803 573202155 /nfs/dbraw/zinc/20/21/55/573202155.db2.gz VCWOAKYMSGJVLC-LLVKDONJSA-N 0 0 180.295 2.480 10 30 AEEERN C=CCC[C@@](C)(C#N)NCC(C)C 132071590 573202238 /nfs/dbraw/zinc/20/22/38/573202238.db2.gz VCWOAKYMSGJVLC-NSHDSACASA-N 0 0 180.295 2.480 10 30 AEEERN N#Cc1oc2nccc(C3CC3)c2c1N 259367111 573203635 /nfs/dbraw/zinc/20/36/35/573203635.db2.gz NSIYSBDQEXNBBV-UHFFFAOYSA-N 0 0 199.213 2.159 10 30 AEEERN CCCC[C@@H](C)N[C@@H](C#N)CC 50888203 573203756 /nfs/dbraw/zinc/20/37/56/573203756.db2.gz IASWAXAPIYYCQR-NXEZZACHSA-N 0 0 168.284 2.457 10 30 AEEERN Nc1ccc2cc(CS)[nH]c2c1 257970172 573203792 /nfs/dbraw/zinc/20/37/92/573203792.db2.gz IRSUHNAVCZNIAQ-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN Cc1[nH]c(C2CCOCC2)cc1C#N 259369734 573203867 /nfs/dbraw/zinc/20/38/67/573203867.db2.gz WTXQQWBQBPFOOQ-UHFFFAOYSA-N 0 0 190.246 2.089 10 30 AEEERN CCc1[nH]c(=O)c(C#N)c(CC)c1C 259603296 573203898 /nfs/dbraw/zinc/20/38/98/573203898.db2.gz GIHSEEZMZGHVKI-UHFFFAOYSA-N 0 0 190.246 2.092 10 30 AEEERN O=C[C@H]1CC[C@H]1c1ccccc1O 257967888 573203964 /nfs/dbraw/zinc/20/39/64/573203964.db2.gz YGAVJZYJHANYGG-RKDXNWHRSA-N 0 0 176.215 2.085 10 30 AEEERN Cc1nc(SC[C@@]2(C)CO2)oc1C 235960821 573204073 /nfs/dbraw/zinc/20/40/73/573204073.db2.gz KSOCLOSRQGAKGQ-SECBINFHSA-N 0 0 199.275 2.172 10 30 AEEERN O=C[C@H]1CC[C@@H]1c1ccccc1O 257967883 573204093 /nfs/dbraw/zinc/20/40/93/573204093.db2.gz YGAVJZYJHANYGG-BDAKNGLRSA-N 0 0 176.215 2.085 10 30 AEEERN CCCC[C@H](C)N[C@H](C)C#N 50888208 573204158 /nfs/dbraw/zinc/20/41/58/573204158.db2.gz OONVNFMEMOHRIM-DTWKUNHWSA-N 0 0 154.257 2.067 10 30 AEEERN Cc1ccc([C@H](O)CS)cc1C 259369872 573204200 /nfs/dbraw/zinc/20/42/00/573204200.db2.gz WWHWADVZXWKBTF-SNVBAGLBSA-N 0 0 182.288 2.267 10 30 AEEERN CC1=C2C(=O)CC[C@@]2(C)CC1 222896288 573204451 /nfs/dbraw/zinc/20/44/51/573204451.db2.gz KOAPLSKCJBPOCH-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN CCCCCCCNOC 115518562 573204455 /nfs/dbraw/zinc/20/44/55/573204455.db2.gz QMBJYZPIKWQTLY-UHFFFAOYSA-N 0 0 145.246 2.108 10 30 AEEERN CCCC[C@@H](C)N[C@H](C#N)CC 50888201 573204491 /nfs/dbraw/zinc/20/44/91/573204491.db2.gz IASWAXAPIYYCQR-ZJUUUORDSA-N 0 0 168.284 2.457 10 30 AEEERN C[C@@H](C#N)NCC1(C)CCCCC1 235525111 573206110 /nfs/dbraw/zinc/20/61/10/573206110.db2.gz XPSCAMPLXNHUFH-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN CC#CC[C@H](C)CC(C)=O 82807352 573206130 /nfs/dbraw/zinc/20/61/30/573206130.db2.gz NYFACZCJRSXDPG-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN C=CCC[C@](C)(C#N)NCC1CC1 132079739 573206149 /nfs/dbraw/zinc/20/61/49/573206149.db2.gz RCHSCHKXFCFVLJ-LLVKDONJSA-N 0 0 178.279 2.234 10 30 AEEERN N#Cc1cccc(N[C@@H]2CC23CC3)c1N 715655417 573206280 /nfs/dbraw/zinc/20/62/80/573206280.db2.gz UFSQMJDAPHYDPS-SNVBAGLBSA-N 0 0 199.257 2.105 10 30 AEEERN CC[C@]12C=CC=CN1C(C)=CC2=O 238313221 573206428 /nfs/dbraw/zinc/20/64/28/573206428.db2.gz CMRZBEUXQNBETF-LLVKDONJSA-N 0 0 175.231 2.007 10 30 AEEERN CC[C@H](O)[C@H](C#N)c1ccccc1 238312652 573206484 /nfs/dbraw/zinc/20/64/84/573206484.db2.gz CMPFQXKAJMYFKL-MNOVXSKESA-N 0 0 175.231 2.065 10 30 AEEERN CC[C@]12CCC(=O)C=C1CCC[C@H]2O 238313309 573206701 /nfs/dbraw/zinc/20/67/01/573206701.db2.gz UNSMKBSCKSZYKZ-NEPJUHHUSA-N 0 0 194.274 2.217 10 30 AEEERN C[C@@H](C#N)Sc1cc(F)ccc1N 85933067 573206884 /nfs/dbraw/zinc/20/68/84/573206884.db2.gz LFRCRABVXQLNAF-LURJTMIESA-N 0 0 196.250 2.412 10 30 AEEERN C=CCc1cccc2c1CCN2C 238312866 573206991 /nfs/dbraw/zinc/20/69/91/573206991.db2.gz MRRHZQAVMXCDQB-UHFFFAOYSA-N 0 0 173.259 2.407 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C(=C/C)CC 308227167 573207083 /nfs/dbraw/zinc/20/70/83/573207083.db2.gz NHMFWZLGDBCVLH-CYNRKNSPSA-N 0 0 180.247 2.298 10 30 AEEERN C[C@H](C#N)Sc1cc(F)ccc1N 85933071 573207214 /nfs/dbraw/zinc/20/72/14/573207214.db2.gz LFRCRABVXQLNAF-ZCFIWIBFSA-N 0 0 196.250 2.412 10 30 AEEERN O=CC1CC(c2ccccc2O)C1 257963871 573207312 /nfs/dbraw/zinc/20/73/12/573207312.db2.gz XSDOCWKQSJBDDS-UHFFFAOYSA-N 0 0 176.215 2.085 10 30 AEEERN Cc1cc(-c2cc(C)c(C#N)[nH]2)on1 259603553 573207336 /nfs/dbraw/zinc/20/73/36/573207336.db2.gz FIWWMAPWYHFEHK-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN C#CCCS[C@@H](C)c1cnccn1 308310084 573207546 /nfs/dbraw/zinc/20/75/46/573207546.db2.gz QUCHVOATZRJTJD-VIFPVBQESA-N 0 0 192.287 2.294 10 30 AEEERN C#CCSc1cc(C)ccc1N 85930420 573207604 /nfs/dbraw/zinc/20/76/04/573207604.db2.gz UKYYJXBYKLGJSX-UHFFFAOYSA-N 0 0 177.272 2.303 10 30 AEEERN CC[C@]12CCC(=O)C=C1CCC[C@@H]2O 238313300 573207612 /nfs/dbraw/zinc/20/76/12/573207612.db2.gz UNSMKBSCKSZYKZ-RYUDHWBXSA-N 0 0 194.274 2.217 10 30 AEEERN C=CCN(CC)C(=O)C1(CC)CC1 308219717 573207716 /nfs/dbraw/zinc/20/77/16/573207716.db2.gz KQGIRPMPLUBOKQ-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN COc1cc(F)c(C)cc1CCC=O 257972778 573211327 /nfs/dbraw/zinc/21/13/27/573211327.db2.gz CXXIMIRKMOPDPY-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN Cc1cc(F)cc(C)c1C#CCCO 235737621 573211339 /nfs/dbraw/zinc/21/13/39/573211339.db2.gz JYWKWWVPTBXBTD-UHFFFAOYSA-N 0 0 192.233 2.176 10 30 AEEERN CCc1cc(C#N)cnc1Cl 238313550 573209408 /nfs/dbraw/zinc/20/94/08/573209408.db2.gz OUSWITKXBWMVOZ-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN C=C[C@H](C)Nn1c(C)ccc1C 235538207 573209412 /nfs/dbraw/zinc/20/94/12/573209412.db2.gz IIGMVOGBKZZFJO-QMMMGPOBSA-N 0 0 164.252 2.223 10 30 AEEERN N#CCOc1cccc(Cl)c1C#N 90825037 573209443 /nfs/dbraw/zinc/20/94/43/573209443.db2.gz ZYIGKHNLBDLPAH-UHFFFAOYSA-N 0 0 192.605 2.114 10 30 AEEERN COc1nccc2cc(CC#N)ccc12 257964944 573209481 /nfs/dbraw/zinc/20/94/81/573209481.db2.gz CCWUIUFZCWEHRD-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN CC[C@H](O)[C@H](C)C#Cc1ccccc1 238312737 573209653 /nfs/dbraw/zinc/20/96/53/573209653.db2.gz IWYADHFETAWIQQ-YPMHNXCESA-N 0 0 188.270 2.445 10 30 AEEERN COc1cc(F)cc(CCC=O)c1C 257970933 573210830 /nfs/dbraw/zinc/21/08/30/573210830.db2.gz CSPHIJSXSYZRDY-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN C=CCC[C@@](C)(C#N)NCC=C 132084820 573209839 /nfs/dbraw/zinc/20/98/39/573209839.db2.gz UIOZDHFECNUJIY-JTQLQIEISA-N 0 0 164.252 2.010 10 30 AEEERN Cc1cc(SCC#N)ccc1N 85931689 573209963 /nfs/dbraw/zinc/20/99/63/573209963.db2.gz NIFFZFDVQPPJRM-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CCCC(=O)C1 642875411 573209988 /nfs/dbraw/zinc/20/99/88/573209988.db2.gz YSFVNVGOTJNDOZ-ONGXEEELSA-N 0 0 182.263 2.073 10 30 AEEERN C=CCC[C@@](C)(C#N)NCC1CC1 132079941 573210057 /nfs/dbraw/zinc/21/00/57/573210057.db2.gz RCHSCHKXFCFVLJ-NSHDSACASA-N 0 0 178.279 2.234 10 30 AEEERN C[C@@H](C#N)Sc1ccc(N)c(F)c1 85935810 573210139 /nfs/dbraw/zinc/21/01/39/573210139.db2.gz WJVNNKKFHYZFJS-LURJTMIESA-N 0 0 196.250 2.412 10 30 AEEERN C=CCCCNC(=O)/C=C/C=C/C 308308544 573210178 /nfs/dbraw/zinc/21/01/78/573210178.db2.gz PQYQDSIRJFEKCP-WJDMQLPWSA-N 0 0 179.263 2.201 10 30 AEEERN CCn1c(CC=O)cc2ccccc21 257972697 573210266 /nfs/dbraw/zinc/21/02/66/573210266.db2.gz DOZJGPSHYNAKQZ-UHFFFAOYSA-N 0 0 187.242 2.403 10 30 AEEERN CN(C)c1ccc(CCC=O)cc1F 257972808 573210847 /nfs/dbraw/zinc/21/08/47/573210847.db2.gz CZHUHUVGITZBEM-UHFFFAOYSA-N 0 0 195.237 2.023 10 30 AEEERN C#CCSc1ccc(N)c(F)c1 85935631 573210299 /nfs/dbraw/zinc/21/02/99/573210299.db2.gz RMORBSCCHPZHPJ-UHFFFAOYSA-N 0 0 181.235 2.133 10 30 AEEERN CC[C@@H](C)C(=O)O[C@](C)(C#N)CC 308308821 573210441 /nfs/dbraw/zinc/21/04/41/573210441.db2.gz PUXNNMOCXMQORP-SCZZXKLOSA-N 0 0 183.251 2.268 10 30 AEEERN C[C@@H](C#N)Sc1cccc(N)c1 85927880 573210552 /nfs/dbraw/zinc/21/05/52/573210552.db2.gz YHJHKRQLPKQPGQ-ZETCQYMHSA-N 0 0 178.260 2.273 10 30 AEEERN C[C@H](O)/C=C/c1ccc(F)c(C#N)c1 235536377 573210751 /nfs/dbraw/zinc/21/07/51/573210751.db2.gz XMQFSQJZQYNHGJ-SGJFDWMWSA-N 0 0 191.205 2.091 10 30 AEEERN Cc1ccc(N)cc1SCC#N 85935169 573210769 /nfs/dbraw/zinc/21/07/69/573210769.db2.gz HMZFEAXCCJPYNR-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN Cc1ccc(N)c(SCC#N)c1 85930837 573210778 /nfs/dbraw/zinc/21/07/78/573210778.db2.gz BAKHRIFAHUIFCE-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN C[C@@H](F)[C@H](C=O)c1cccc(O)c1 257971845 573210793 /nfs/dbraw/zinc/21/07/93/573210793.db2.gz YQRKCAWDRSANBO-XCBNKYQSSA-N 0 0 182.194 2.033 10 30 AEEERN CCc1cccc(CCC=O)c1OC 257972777 573210888 /nfs/dbraw/zinc/21/08/88/573210888.db2.gz CXWNDFXJJWPWOZ-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN C[C@@H](C#N)Nc1ccccc1N(C)C 235535917 573211020 /nfs/dbraw/zinc/21/10/20/573211020.db2.gz OJHIJHPLAMBSOI-VIFPVBQESA-N 0 0 189.262 2.077 10 30 AEEERN COc1cnc(C#N)cc1C1CCC1 259603602 573211027 /nfs/dbraw/zinc/21/10/27/573211027.db2.gz FJTFDRXWFVTQRW-UHFFFAOYSA-N 0 0 188.230 2.229 10 30 AEEERN C=CCCCNC(=O)/C=C/C=C\C 308308543 573211041 /nfs/dbraw/zinc/21/10/41/573211041.db2.gz PQYQDSIRJFEKCP-AACIIYHXSA-N 0 0 179.263 2.201 10 30 AEEERN C=C[C@H](C)C(=O)[C@@H](C)CC 238307512 573211306 /nfs/dbraw/zinc/21/13/06/573211306.db2.gz ZWBSXHUBBMSVGK-YUMQZZPRSA-N 0 0 140.226 2.424 10 30 AEEERN CC(=O)Cc1cc(C#N)c(C)cc1C 257972814 573211319 /nfs/dbraw/zinc/21/13/19/573211319.db2.gz CZQMFJFKAXTASY-UHFFFAOYSA-N 0 0 187.242 2.307 10 30 AEEERN C#CCCCC(=O)O[C@@H](C)C1CC1 308370932 573211385 /nfs/dbraw/zinc/21/13/85/573211385.db2.gz KUQCQWXIKRIURC-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN Cc1cccc(SCC#N)c1N 85937155 573211393 /nfs/dbraw/zinc/21/13/93/573211393.db2.gz YLSVSQAVJSOAFJ-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN C#C[C@H](C)Nc1cccc(C)c1C#N 235536780 573213548 /nfs/dbraw/zinc/21/35/48/573213548.db2.gz HADHSVSTGCYAHP-JTQLQIEISA-N 0 0 184.242 2.300 10 30 AEEERN C=C(C)[C@]1(O)CCC[C@@H](OC)CC1 642877273 573213616 /nfs/dbraw/zinc/21/36/16/573213616.db2.gz FHKFJJZYUUETCH-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN C=C[C@@H](C)C(=O)[C@@H](C)CC 238307566 573214129 /nfs/dbraw/zinc/21/41/29/573214129.db2.gz ZWBSXHUBBMSVGK-SFYZADRCSA-N 0 0 140.226 2.424 10 30 AEEERN N#Cc1cc(F)c2cc(N)sc2c1 306572947 573213662 /nfs/dbraw/zinc/21/36/62/573213662.db2.gz HFSROVDQYRSDAW-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C[C@H](CC=O)c1ccc(F)c(CO)c1 257971072 573213736 /nfs/dbraw/zinc/21/37/36/573213736.db2.gz CVYCMLOJEBHTEM-MRVPVSSYSA-N 0 0 196.221 2.011 10 30 AEEERN N#Cc1ccccc1CC(F)F 257972648 573213892 /nfs/dbraw/zinc/21/38/92/573213892.db2.gz IMJKHPSVGSCGNP-UHFFFAOYSA-N 0 0 167.158 2.366 10 30 AEEERN Cc1nc(-c2ccc(CC#N)[nH]2)co1 259603631 573213936 /nfs/dbraw/zinc/21/39/36/573213936.db2.gz FJYAQLBGMOHLKK-UHFFFAOYSA-N 0 0 187.202 2.044 10 30 AEEERN C=C(C)[C@@]1(O)CCC[C@H](OC)CC1 642877275 573213945 /nfs/dbraw/zinc/21/39/45/573213945.db2.gz FHKFJJZYUUETCH-WDEREUQCSA-N 0 0 184.279 2.273 10 30 AEEERN CC[C@@H](C#N)C1(C2CCC2)COC1 259375817 573213980 /nfs/dbraw/zinc/21/39/80/573213980.db2.gz VUVFATYOFXAVAL-VIFPVBQESA-N 0 0 179.263 2.353 10 30 AEEERN C=CCC[C@@](C)([NH2+][C@H](C)CC)C(=O)[O-] 132103687 573214795 /nfs/dbraw/zinc/21/47/95/573214795.db2.gz GZZQNXJOFZHSMW-MWLCHTKSSA-N 0 0 199.294 2.184 10 30 AEEERN CCn1ncc2cc(CC#N)ccc21 238308658 573215921 /nfs/dbraw/zinc/21/59/21/573215921.db2.gz NMVNUFXALUBSLT-UHFFFAOYSA-N 0 0 185.230 2.122 10 30 AEEERN C=C[C@]1(CC)C=C[C@@H](O)CC1 238308753 573215848 /nfs/dbraw/zinc/21/58/48/573215848.db2.gz GPTNQXJWHSJOOV-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C1[C@@H](C(C)=O)[C@@]1(C)CC 238308411 573215950 /nfs/dbraw/zinc/21/59/50/573215950.db2.gz RTCSURAXXYCSEY-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C#CCC[C@](C)(O)CCC=C 132116792 573216154 /nfs/dbraw/zinc/21/61/54/573216154.db2.gz NIZUEFGUMAKWTJ-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN CSc1cccc(CC=O)c1 115774386 573216203 /nfs/dbraw/zinc/21/62/03/573216203.db2.gz UZUMGTMYQKLOBV-UHFFFAOYSA-N 0 0 166.245 2.150 10 30 AEEERN N#Cc1sc2ccc(N)cc2c1F 306573703 573216211 /nfs/dbraw/zinc/21/62/11/573216211.db2.gz HOIKNJHOIDFOGW-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN Cc1ccccc1[C@](C)(C#N)CCO 259379053 573216284 /nfs/dbraw/zinc/21/62/84/573216284.db2.gz BFRAARFTUMDKPZ-LBPRGKRZSA-N 0 0 189.258 2.159 10 30 AEEERN C=CCC[C@](C)([NH2+][C@H](C)CC)C(=O)[O-] 132103277 573216355 /nfs/dbraw/zinc/21/63/55/573216355.db2.gz GZZQNXJOFZHSMW-KOLCDFICSA-N 0 0 199.294 2.184 10 30 AEEERN COCC1(c2ccccc2C#N)CC1 259376830 573216405 /nfs/dbraw/zinc/21/64/05/573216405.db2.gz JTYLFRCHOUBVDD-UHFFFAOYSA-N 0 0 187.242 2.236 10 30 AEEERN C=CCC[C@@](C)([NH2+][C@@H](C)CC)C(=O)[O-] 132103879 573216420 /nfs/dbraw/zinc/21/64/20/573216420.db2.gz GZZQNXJOFZHSMW-GXSJLCMTSA-N 0 0 199.294 2.184 10 30 AEEERN C=CCCCC(=O)NCC/C=C/C 308319694 573216441 /nfs/dbraw/zinc/21/64/41/573216441.db2.gz XVNMIJFCNBHEFJ-GQCTYLIASA-N 0 0 181.279 2.425 10 30 AEEERN N#Cc1ccc(F)c2sc(N)cc12 306577869 573216587 /nfs/dbraw/zinc/21/65/87/573216587.db2.gz LVCHXTVZSBYKKU-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C/C=C\[C@H](O)CC#C[Si](C)(C)C 205250485 573217566 /nfs/dbraw/zinc/21/75/66/573217566.db2.gz YCCRZWXONVZWMD-BXKUYDPTSA-N 0 0 182.339 2.194 10 30 AEEERN C[C@H]1C[C@H](C)CC(C#N)(N(C)C)C1 82831810 573217979 /nfs/dbraw/zinc/21/79/79/573217979.db2.gz IUNFXFBEBBRYNR-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN Cc1cccc(C(=O)C(C#N)C#N)c1C 85975429 573217769 /nfs/dbraw/zinc/21/77/69/573217769.db2.gz HISRVMBUUBHXGL-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 AEEERN CCOCCON=CC(C)(C)CC 308316957 573217822 /nfs/dbraw/zinc/21/78/22/573217822.db2.gz XPHMDIBZIDSVCF-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN O=C[C@@H]1CCCC[C@H]2C[C@H]21 258588760 573217827 /nfs/dbraw/zinc/21/78/27/573217827.db2.gz SZMPTANMPWPWBX-XHNCKOQMSA-N 0 0 138.210 2.012 10 30 AEEERN C#CCCS[C@@H](C)c1nc(C)no1 308316478 573217891 /nfs/dbraw/zinc/21/78/91/573217891.db2.gz VWBPZGUUJFDIEY-ZETCQYMHSA-N 0 0 196.275 2.196 10 30 AEEERN C=C1[C@H](C(C)=O)[C@@]1(C)CC 238308093 573218607 /nfs/dbraw/zinc/21/86/07/573218607.db2.gz RTCSURAXXYCSEY-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[C@@H](CCC1CCCC1)NN 129131079 573218619 /nfs/dbraw/zinc/21/86/19/573218619.db2.gz FUZNCMNKMKTSGH-NSHDSACASA-N 0 0 182.311 2.365 10 30 AEEERN C[C@@H](C#N)NC1C[C@H](C)C[C@@H](C)C1 82835086 573218745 /nfs/dbraw/zinc/21/87/45/573218745.db2.gz DLIMEHHDSRBCSC-BBBLOLIVSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H](CC(=O)C(C#N)C#N)C(C)(C)C 85975484 573218759 /nfs/dbraw/zinc/21/87/59/573218759.db2.gz QKAQXJGYUYATBN-MRVPVSSYSA-N 0 0 192.262 2.291 10 30 AEEERN CC(C)c1nc(C#N)c(C2CC2)[nH]1 77595264 573218776 /nfs/dbraw/zinc/21/87/76/573218776.db2.gz LDCSDNMFUAKLJQ-UHFFFAOYSA-N 0 0 175.235 2.282 10 30 AEEERN CCCc1cc(C#N)c(C)[nH]1 259376931 573218815 /nfs/dbraw/zinc/21/88/15/573218815.db2.gz XFDSRFNCBADHRO-UHFFFAOYSA-N 0 0 148.209 2.147 10 30 AEEERN N#Cc1scnc1C1CCC1 259378629 573219411 /nfs/dbraw/zinc/21/94/11/573219411.db2.gz WAUMWWAMOICPTH-UHFFFAOYSA-N 0 0 164.233 2.282 10 30 AEEERN C=CC[C@H](CCC1CCCC1)NN 129131268 573219434 /nfs/dbraw/zinc/21/94/34/573219434.db2.gz FUZNCMNKMKTSGH-LLVKDONJSA-N 0 0 182.311 2.365 10 30 AEEERN N#Cc1occc1-c1cccnc1 259378778 573219445 /nfs/dbraw/zinc/21/94/45/573219445.db2.gz HWJUALIILUAAKA-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN O=C[C@@H]1CCc2ccc(Cl)cc2O1 259379123 573219492 /nfs/dbraw/zinc/21/94/92/573219492.db2.gz BGBMSSIREBQOCK-VIFPVBQESA-N 0 0 196.633 2.233 10 30 AEEERN CC[C@]1(C=O)O[C@@H]1c1ccccc1 238309010 573219618 /nfs/dbraw/zinc/21/96/18/573219618.db2.gz LSWRZGLJPMVZFA-GHMZBOCLSA-N 0 0 176.215 2.106 10 30 AEEERN CC(C)(C)C[C@@]1(C)OC[C@H](CC#N)O1 258593033 573219654 /nfs/dbraw/zinc/21/96/54/573219654.db2.gz JRXWCWJZQHSTJQ-ONGXEEELSA-N 0 0 197.278 2.468 10 30 AEEERN CC(C)[C@H](C#N)CNCc1ccco1 258594359 573219669 /nfs/dbraw/zinc/21/96/69/573219669.db2.gz GTHRUGMJTBECPU-SNVBAGLBSA-N 0 0 192.262 2.165 10 30 AEEERN Cc1ccc(C(=O)C(C#N)C#N)c(C)c1 85975176 573219673 /nfs/dbraw/zinc/21/96/73/573219673.db2.gz XKFOWVPYVKLZHA-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 AEEERN CO[C@@H](CC=O)CC1CCCC1 258592605 573219683 /nfs/dbraw/zinc/21/96/83/573219683.db2.gz UEIUQYDTWCXFIV-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@H](C#N)C1(C2CCC2)COC1 259375815 573219684 /nfs/dbraw/zinc/21/96/84/573219684.db2.gz VUVFATYOFXAVAL-SECBINFHSA-N 0 0 179.263 2.353 10 30 AEEERN C=C1[C@H](C[C@H](C)O)[C@@]1(C)CC 238308239 573219687 /nfs/dbraw/zinc/21/96/87/573219687.db2.gz BVSZWSCEARSHIY-HGNGGELXSA-N 0 0 154.253 2.360 10 30 AEEERN CSCCCN1CCCC[C@@H]1C#N 129131920 573219693 /nfs/dbraw/zinc/21/96/93/573219693.db2.gz GBGKISMDBQBELY-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN C[C@@H]1CC(N(C)CC#N)C[C@@H](C)C1 82832725 573219695 /nfs/dbraw/zinc/21/96/95/573219695.db2.gz ORIURKQKGYTYOC-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN C=CC[C@@H](NN)[C@H]1CC2CCC1CC2 308518886 573219709 /nfs/dbraw/zinc/21/97/09/573219709.db2.gz QBAJPBJXRUBVSL-MMVSWEMESA-N 0 0 194.322 2.221 10 30 AEEERN CC(C)(C)Cc1ncc(CC=O)s1 259380398 573219763 /nfs/dbraw/zinc/21/97/63/573219763.db2.gz WDDIFVHKHJEXSR-UHFFFAOYSA-N 0 0 197.303 2.473 10 30 AEEERN CC(C)(C)C[C@]1(C)OC[C@@H](CC#N)O1 258593031 573219777 /nfs/dbraw/zinc/21/97/77/573219777.db2.gz JRXWCWJZQHSTJQ-MWLCHTKSSA-N 0 0 197.278 2.468 10 30 AEEERN C[C@@H]1C[C@@H](C)CC(C#N)(N(C)C)C1 82831811 573219902 /nfs/dbraw/zinc/21/99/02/573219902.db2.gz IUNFXFBEBBRYNR-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN C#C[C@H]1C(C)=CC(=O)[C@]1(C)CC 238308063 573219939 /nfs/dbraw/zinc/21/99/39/573219939.db2.gz XIAVJFQSVNJWQE-GXSJLCMTSA-N 0 0 162.232 2.181 10 30 AEEERN CO[C@H](CC=O)CC1CCCC1 258592607 573219981 /nfs/dbraw/zinc/21/99/81/573219981.db2.gz UEIUQYDTWCXFIV-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@H](C)C(C)=NNCCCOC 308318123 573220179 /nfs/dbraw/zinc/22/01/79/573220179.db2.gz WYCRDOWWICMADC-VIFPVBQESA-N 0 0 186.299 2.035 10 30 AEEERN C[C@H]1CC(OC[C@@H]2CO2)C[C@H](C)C1 82834389 573220281 /nfs/dbraw/zinc/22/02/81/573220281.db2.gz DDHQDNQJAGDEDD-FXPVBKGRSA-N 0 0 184.279 2.227 10 30 AEEERN CC[C@H](C)CON=C[C@H](C)COC 308318098 573221579 /nfs/dbraw/zinc/22/15/79/573221579.db2.gz WXHCOEOSPJNZDC-UWVGGRQHSA-N 0 0 187.283 2.317 10 30 AEEERN CCSCCN1CCCC[C@@H]1C#N 129131440 573221598 /nfs/dbraw/zinc/22/15/98/573221598.db2.gz KBKMYMJCEDDIJN-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN CCNC1(C#N)C[C@@H](C)C[C@H](C)C1 82831054 573221159 /nfs/dbraw/zinc/22/11/59/573221159.db2.gz WSCLDMWRVBJECP-UWVGGRQHSA-N 0 0 180.295 2.314 10 30 AEEERN CCNC1(C#N)C[C@H](C)C[C@@H](C)C1 82831055 573221208 /nfs/dbraw/zinc/22/12/08/573221208.db2.gz WSCLDMWRVBJECP-NXEZZACHSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@H](O)Cc1cccc(C)c1C#N 238309059 573222406 /nfs/dbraw/zinc/22/24/06/573222406.db2.gz RCGDSFIWYTXVQQ-NSHDSACASA-N 0 0 189.258 2.180 10 30 AEEERN C[C@@H](C#N)N(C)C/C(Cl)=C/Cl 86000107 573221342 /nfs/dbraw/zinc/22/13/42/573221342.db2.gz HJWZFBRFXOQNJY-PJGJZCPTSA-N 0 0 193.077 2.149 10 30 AEEERN C#C[C@H](C)Oc1cc(C)ccc1C#N 235550352 573221427 /nfs/dbraw/zinc/22/14/27/573221427.db2.gz FGLQZJHOIPGQPH-JTQLQIEISA-N 0 0 185.226 2.267 10 30 AEEERN Cc1cc(C#N)cc(CCCO)c1C 257975089 573221444 /nfs/dbraw/zinc/22/14/44/573221444.db2.gz DHMZMNZMANXMJH-UHFFFAOYSA-N 0 0 189.258 2.100 10 30 AEEERN Cc1cc(-c2cc(C#N)on2)c(C)o1 259382030 573221489 /nfs/dbraw/zinc/22/14/89/573221489.db2.gz FTLSNBPOUIDOBE-UHFFFAOYSA-N 0 0 188.186 2.423 10 30 AEEERN C[N@@H+]1CCC[C@@H](C2(C#N)CCC2)C1 259382398 573221504 /nfs/dbraw/zinc/22/15/04/573221504.db2.gz VWSWBEHRGIQIFJ-SNVBAGLBSA-N 0 0 178.279 2.022 10 30 AEEERN C=C[C@@H](C)c1noc(CCSC)n1 308317116 573221519 /nfs/dbraw/zinc/22/15/19/573221519.db2.gz XTNIWQSZPNKLTC-SSDOTTSWSA-N 0 0 198.291 2.265 10 30 AEEERN C=C[C@H](C)CN(C)C(=O)/C(C)=C/C 308318111 573221650 /nfs/dbraw/zinc/22/16/50/573221650.db2.gz WXQPYANULLYYMZ-HZAKCSEPSA-N 0 0 181.279 2.233 10 30 AEEERN N#Cc1ccncc1N[C@@H]1CC[C@@H]2C[C@@H]21 308886237 573221712 /nfs/dbraw/zinc/22/17/12/573221712.db2.gz TYOFPZAJEYXRPO-DVVUODLYSA-N 0 0 199.257 2.164 10 30 AEEERN CC[C@]1(C=O)SC[C@@H](C)S1 238309042 573221766 /nfs/dbraw/zinc/22/17/66/573221766.db2.gz LHDMFEPDEFKQGK-RQJHMYQMSA-N 0 0 176.306 2.160 10 30 AEEERN C=CC[C@@H](NN)[C@@H]1CC2CCC1CC2 308518884 573221796 /nfs/dbraw/zinc/22/17/96/573221796.db2.gz QBAJPBJXRUBVSL-KIDURHIOSA-N 0 0 194.322 2.221 10 30 AEEERN CCN(CC#N)C/C(Cl)=C/Cl 86000103 573221868 /nfs/dbraw/zinc/22/18/68/573221868.db2.gz BMHCKAYMXREAMZ-ALCCZGGFSA-N 0 0 193.077 2.151 10 30 AEEERN CCc1cncc(C#N)c1Cl 238324518 573221885 /nfs/dbraw/zinc/22/18/85/573221885.db2.gz TYPNRFYNOIVWML-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN C/C=C\C(C)(C)CC=O 145479966 573221963 /nfs/dbraw/zinc/22/19/63/573221963.db2.gz LKCRGICLRRWXNN-PLNGDYQASA-N 0 0 126.199 2.178 10 30 AEEERN CC(C)(F)[C@@H](C#N)C1CC1 258592545 573221981 /nfs/dbraw/zinc/22/19/81/573221981.db2.gz UCMNPZTZJBWTBU-ZETCQYMHSA-N 0 0 141.189 2.284 10 30 AEEERN CCC1=CC(=O)C(C)=C(CC)C1=O 238309413 573222044 /nfs/dbraw/zinc/22/20/44/573222044.db2.gz PGZCMUGBYTWEJM-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN N#Cc1oncc1-c1ccc(F)cc1 259382071 573222068 /nfs/dbraw/zinc/22/20/68/573222068.db2.gz IJGYLWMXDOQHPH-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN Cc1ccc(C)c(C(=O)C(C#N)C#N)c1 85975468 573222083 /nfs/dbraw/zinc/22/20/83/573222083.db2.gz AXMQPJDASLYRPK-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 AEEERN N#Cc1ccncc1N[C@@H]1CC[C@H]2C[C@H]21 308886244 573222289 /nfs/dbraw/zinc/22/22/89/573222289.db2.gz TYOFPZAJEYXRPO-JMJZKYOTSA-N 0 0 199.257 2.164 10 30 AEEERN C[C@@H]1C[C@@H](C)CC(C#N)(NC2CC2)C1 82831064 573222325 /nfs/dbraw/zinc/22/23/25/573222325.db2.gz SVYQKHXMLMTNJP-NXEZZACHSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H]1C[C@H](OCC=O)CC[C@H]1C 82840939 573223825 /nfs/dbraw/zinc/22/38/25/573223825.db2.gz KYFOWUNWRYOWFD-KXUCPTDWSA-N 0 0 170.252 2.027 10 30 AEEERN C=C[C@H](C)c1noc(CCSC)n1 308317118 573223350 /nfs/dbraw/zinc/22/33/50/573223350.db2.gz XTNIWQSZPNKLTC-ZETCQYMHSA-N 0 0 198.291 2.265 10 30 AEEERN CC[C@@]12CC[C@@H](C=CC1=O)C2 238314163 573223372 /nfs/dbraw/zinc/22/33/72/573223372.db2.gz WDHCUMPECYRBCF-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC[C@H](NN)[C@H]1CC2CCC1CC2 308518888 573223438 /nfs/dbraw/zinc/22/34/38/573223438.db2.gz QBAJPBJXRUBVSL-QQFIATSDSA-N 0 0 194.322 2.221 10 30 AEEERN CC[C@]1(C=O)SC[C@H](C)S1 238309049 573223522 /nfs/dbraw/zinc/22/35/22/573223522.db2.gz LHDMFEPDEFKQGK-BQBZGAKWSA-N 0 0 176.306 2.160 10 30 AEEERN C[C@H]1C[C@](C#N)(NC2CC2)CC[C@H]1C 82838043 573223541 /nfs/dbraw/zinc/22/35/41/573223541.db2.gz KEJQYYIPBRJRSV-JFGNBEQYSA-N 0 0 192.306 2.457 10 30 AEEERN CC(C)(C)C[C@]1(C)OC[C@H](CC#N)O1 258593027 573223626 /nfs/dbraw/zinc/22/36/26/573223626.db2.gz JRXWCWJZQHSTJQ-GXSJLCMTSA-N 0 0 197.278 2.468 10 30 AEEERN C=CC[C@@]1(CC)CC=CC1=O 238309225 573223656 /nfs/dbraw/zinc/22/36/56/573223656.db2.gz GXFLQLWWYJVQFV-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=CCC[C@](C)(O)c1nccn1CC 132122037 573223731 /nfs/dbraw/zinc/22/37/31/573223731.db2.gz NCJDYLGPIVQSCK-NSHDSACASA-N 0 0 194.278 2.077 10 30 AEEERN CC[C@@H](C)CON=C[C@@H](C)COC 308318097 573224448 /nfs/dbraw/zinc/22/44/48/573224448.db2.gz WXHCOEOSPJNZDC-NXEZZACHSA-N 0 0 187.283 2.317 10 30 AEEERN Cc1ccc2occ(CC=O)c2c1 258239440 573224512 /nfs/dbraw/zinc/22/45/12/573224512.db2.gz QLKQKHAMTBYLJW-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN CN(CS)c1ccccc1 258595883 573226333 /nfs/dbraw/zinc/22/63/33/573226333.db2.gz GYBPZQUDVZYWKB-UHFFFAOYSA-N 0 0 153.250 2.010 10 30 AEEERN C[C@]1(C=O)CCCC1(F)F 258598071 573226532 /nfs/dbraw/zinc/22/65/32/573226532.db2.gz URMQSKBWEZFEGP-ZCFIWIBFSA-N 0 0 148.152 2.011 10 30 AEEERN C[C@@H](NCS)c1ccccc1 258599424 573227515 /nfs/dbraw/zinc/22/75/15/573227515.db2.gz HHCWHSDYEQJTLO-MRVPVSSYSA-N 0 0 167.277 2.225 10 30 AEEERN Cc1ccc(-c2c[nH]c(CC#N)n2)cc1 259037783 573227328 /nfs/dbraw/zinc/22/73/28/573227328.db2.gz HDJYUEBCCHFPRQ-UHFFFAOYSA-N 0 0 197.241 2.451 10 30 AEEERN CC(C)(S)C1CCOCC1 259387120 573227392 /nfs/dbraw/zinc/22/73/92/573227392.db2.gz WQCKQDSDWKBJJX-UHFFFAOYSA-N 0 0 160.282 2.121 10 30 AEEERN CC(C)(C#N)C(=O)CCc1ccco1 258597308 573227450 /nfs/dbraw/zinc/22/74/50/573227450.db2.gz HWYOOXRVIOYWOI-UHFFFAOYSA-N 0 0 191.230 2.331 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@@H]1C[C@H]1CC 715713243 573228182 /nfs/dbraw/zinc/22/81/82/573228182.db2.gz DUDZDLKGGJMZJL-ZDCRXTMVSA-N 0 0 182.311 2.077 10 30 AEEERN O=CC[C@@H]1CCC=C1Br 115906050 573228229 /nfs/dbraw/zinc/22/82/29/573228229.db2.gz KJAHGBFQWVSPTH-LURJTMIESA-N 0 0 189.052 2.264 10 30 AEEERN C#C[C@H](C)Oc1cccc(C(C)=O)c1 235545499 573228247 /nfs/dbraw/zinc/22/82/47/573228247.db2.gz AJYBWPBOLBPFRL-VIFPVBQESA-N 0 0 188.226 2.290 10 30 AEEERN Cc1c(C#N)cnc2ccc(O)cc12 257975825 573228384 /nfs/dbraw/zinc/22/83/84/573228384.db2.gz ZCMWWCFBGWLEEP-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN CCc1cc(CC#N)c(F)c(OC)c1 238321787 573230702 /nfs/dbraw/zinc/23/07/02/573230702.db2.gz ZQVLYCJEOAGJIX-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN C=C[C@H](C)Nc1ccc2c(c1)OCO2 235547610 573230579 /nfs/dbraw/zinc/23/05/79/573230579.db2.gz IZOHLKOARLGSEC-QMMMGPOBSA-N 0 0 191.230 2.402 10 30 AEEERN C[C@H]1C[C@@H](C=O)CC[C@H]1C 82843324 573230627 /nfs/dbraw/zinc/23/06/27/573230627.db2.gz RDYPINYAOMHGON-VGMNWLOBSA-N 0 0 140.226 2.258 10 30 AEEERN C=C(C)[C@]1(O)CCO[C@](C)(CC)C1 86020555 573230670 /nfs/dbraw/zinc/23/06/70/573230670.db2.gz VJOKGLYXBWKUCQ-MNOVXSKESA-N 0 0 184.279 2.273 10 30 AEEERN CC1(C=NNC[C@@H]2CCSC2)CC1 308313845 573230748 /nfs/dbraw/zinc/23/07/48/573230748.db2.gz TXGMTNBTQIKUEC-VIFPVBQESA-N 0 0 198.335 2.115 10 30 AEEERN CC[C@@H]1CCC[C@H](NCC#N)C1 82847564 573230898 /nfs/dbraw/zinc/23/08/98/573230898.db2.gz LTTTXZPUXQJGCU-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CSCCON=C1C[C@@H]2C=CC[C@@H]12 308313594 573231065 /nfs/dbraw/zinc/23/10/65/573231065.db2.gz UPAQCFMKHPASND-DTWKUNHWSA-N 0 0 197.303 2.318 10 30 AEEERN CSc1ccc(CCC=O)cc1O 258080745 573231123 /nfs/dbraw/zinc/23/11/23/573231123.db2.gz NFJBXNIOONVAHJ-UHFFFAOYSA-N 0 0 196.271 2.246 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@H](C)C1CC1 715716418 573231147 /nfs/dbraw/zinc/23/11/47/573231147.db2.gz VXNIZRGCBUOQFS-NGZCFLSTSA-N 0 0 182.311 2.077 10 30 AEEERN C=C(C)C(=O)CC(F)(F)F 86022443 573231152 /nfs/dbraw/zinc/23/11/52/573231152.db2.gz QFKQBZCBHWZEKL-UHFFFAOYSA-N 0 0 152.115 2.084 10 30 AEEERN C=C(C)[C@@H](O)c1ccc2c(c1)CCO2 86020040 573231162 /nfs/dbraw/zinc/23/11/62/573231162.db2.gz YWBFYGFEAMDEGV-GFCCVEGCSA-N 0 0 190.242 2.231 10 30 AEEERN CC(C)=CC[C@H](C)[C@H](C)[C@@H]1O[C@H]1CO 308524729 573231254 /nfs/dbraw/zinc/23/12/54/573231254.db2.gz ASHUBQADZCNNJJ-BJDJZHNGSA-N 0 0 198.306 2.375 10 30 AEEERN C=CC[C@@H](NN)c1cc(C)c(C)s1 129108370 573231280 /nfs/dbraw/zinc/23/12/80/573231280.db2.gz AGENEFUUYVKXNS-SECBINFHSA-N 0 0 196.319 2.445 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@]1(C)CCOC1 715715823 573231344 /nfs/dbraw/zinc/23/13/44/573231344.db2.gz RWZROMQTCXLHEB-KOLCDFICSA-N 0 0 182.263 2.194 10 30 AEEERN C=CC[C@@H](C)n1ccnc1 715710320 573231375 /nfs/dbraw/zinc/23/13/75/573231375.db2.gz PWKSVTPTMQJZGK-MRVPVSSYSA-N 0 0 136.198 2.020 10 30 AEEERN C=C(CC)CSc1nccc(=O)[nH]1 308313144 573231395 /nfs/dbraw/zinc/23/13/95/573231395.db2.gz STMLTDACZTYHDV-UHFFFAOYSA-N 0 0 196.275 2.241 10 30 AEEERN Cc1cc(-c2oncc2C)c(C#N)[nH]1 259387129 573231404 /nfs/dbraw/zinc/23/14/04/573231404.db2.gz ADKTUOWJMOLAGM-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@]1(C)CCOC1 715715824 573231405 /nfs/dbraw/zinc/23/14/05/573231405.db2.gz RWZROMQTCXLHEB-MWLCHTKSSA-N 0 0 182.263 2.194 10 30 AEEERN CCC(CC)CN(C)[C@H](C)C#N 129114696 573231482 /nfs/dbraw/zinc/23/14/82/573231482.db2.gz NXNVHCPVXJKBJK-SECBINFHSA-N 0 0 168.284 2.266 10 30 AEEERN C#CCOc1ccc2oc(C)nc2c1 259386159 573231500 /nfs/dbraw/zinc/23/15/00/573231500.db2.gz HNXNKXVEEUZAIU-UHFFFAOYSA-N 0 0 187.198 2.148 10 30 AEEERN N#Cc1cc(Cl)cc2c1OCC2 258072589 573231512 /nfs/dbraw/zinc/23/15/12/573231512.db2.gz UREDVPUZCOGZDL-UHFFFAOYSA-N 0 0 179.606 2.147 10 30 AEEERN C=CCc1cccc(OC)c1NC 238322989 573231526 /nfs/dbraw/zinc/23/15/26/573231526.db2.gz UCOCNUZBAALLNW-UHFFFAOYSA-N 0 0 177.247 2.465 10 30 AEEERN CC(C)=CC[C@H](C)[C@H](C)[C@H]1O[C@@H]1CO 308524733 573231678 /nfs/dbraw/zinc/23/16/78/573231678.db2.gz ASHUBQADZCNNJJ-NNYUYHANSA-N 0 0 198.306 2.375 10 30 AEEERN CC(C)C[C@]1(C)OC[C@H](CC#N)O1 258596182 573231771 /nfs/dbraw/zinc/23/17/71/573231771.db2.gz JUTQNGQDAJLTHO-VHSXEESVSA-N 0 0 183.251 2.078 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@]1(C)CCOC1 715715825 573231813 /nfs/dbraw/zinc/23/18/13/573231813.db2.gz RWZROMQTCXLHEB-ONGXEEELSA-N 0 0 182.263 2.194 10 30 AEEERN CCC(CC)CN1CCC[C@@H]1C#N 129115377 573231857 /nfs/dbraw/zinc/23/18/57/573231857.db2.gz PDXIGHVJEKNNPM-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H]1CCC[C@@H](NCC#N)C1 82847566 573231895 /nfs/dbraw/zinc/23/18/95/573231895.db2.gz LTTTXZPUXQJGCU-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)C[C@@]1(C)OC[C@H](CC#N)O1 258596178 573231941 /nfs/dbraw/zinc/23/19/41/573231941.db2.gz JUTQNGQDAJLTHO-UWVGGRQHSA-N 0 0 183.251 2.078 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@H]1C/C=C\CO 308525398 573231954 /nfs/dbraw/zinc/23/19/54/573231954.db2.gz AWFBXWCZFVGXCY-WZQADMAKSA-N 0 0 194.274 2.096 10 30 AEEERN C=C(C)[C@](O)(CC)C1CC1 86021128 573232218 /nfs/dbraw/zinc/23/22/18/573232218.db2.gz MRVDZFMKGPYBKV-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C#C[C@H](C)Nc1nccc2occc12 235546554 573232237 /nfs/dbraw/zinc/23/22/37/573232237.db2.gz FMZRHKZSGDFHMY-QMMMGPOBSA-N 0 0 186.214 2.261 10 30 AEEERN C=CCC[C@@](C)(O)c1ccnn1CC 132149842 573232271 /nfs/dbraw/zinc/23/22/71/573232271.db2.gz WXDCLSTZZBDVPH-LLVKDONJSA-N 0 0 194.278 2.077 10 30 AEEERN CCNc1ccc(C#N)c(Cl)n1 220171256 573232277 /nfs/dbraw/zinc/23/22/77/573232277.db2.gz NOGREAKTUCGBIE-UHFFFAOYSA-N 0 0 181.626 2.038 10 30 AEEERN C=CC[C@H](C)n1ccnc1 715710321 573232431 /nfs/dbraw/zinc/23/24/31/573232431.db2.gz PWKSVTPTMQJZGK-QMMMGPOBSA-N 0 0 136.198 2.020 10 30 AEEERN C=CCC[C@](C)(O)Cc1nccs1 132151463 573232507 /nfs/dbraw/zinc/23/25/07/573232507.db2.gz AOBHZGJHSSSMFX-JTQLQIEISA-N 0 0 197.303 2.403 10 30 AEEERN CCC(CC)CN(C)[C@@H](C)C#N 129114471 573232648 /nfs/dbraw/zinc/23/26/48/573232648.db2.gz NXNVHCPVXJKBJK-VIFPVBQESA-N 0 0 168.284 2.266 10 30 AEEERN C=C(CO)CCC=C(C)C 197239221 573232728 /nfs/dbraw/zinc/23/27/28/573232728.db2.gz CLLFGKKVQFCNCE-UHFFFAOYSA-N 0 0 140.226 2.281 10 30 AEEERN C[C@H]1C[C@@H](N(C)CC#N)CC[C@H]1C 82841885 573232771 /nfs/dbraw/zinc/23/27/71/573232771.db2.gz QUULHGFLCGWZGK-VWYCJHECSA-N 0 0 180.295 2.266 10 30 AEEERN CSC1(C=NNCC2CC2)CCC1 308314779 573232830 /nfs/dbraw/zinc/23/28/30/573232830.db2.gz VTCGEUXTFZURJT-UHFFFAOYSA-N 0 0 198.335 2.258 10 30 AEEERN C=C(C)[C@H](O)C1CCCC1 86020095 573232840 /nfs/dbraw/zinc/23/28/40/573232840.db2.gz FSBZNWNHYJMICA-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@@H](C)C1CC1 715716419 573232850 /nfs/dbraw/zinc/23/28/50/573232850.db2.gz VXNIZRGCBUOQFS-QXEWZRGKSA-N 0 0 182.311 2.077 10 30 AEEERN CC(C)C[C@@]1(C)OC[C@@H](CC#N)O1 258596185 573232866 /nfs/dbraw/zinc/23/28/66/573232866.db2.gz JUTQNGQDAJLTHO-ZJUUUORDSA-N 0 0 183.251 2.078 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@@H]1C/C=C\CO 308525390 573232962 /nfs/dbraw/zinc/23/29/62/573232962.db2.gz AWFBXWCZFVGXCY-CBZSPVTBSA-N 0 0 194.274 2.096 10 30 AEEERN CSCCON=C1C[C@@H]2C=CC[C@H]12 308313595 573232991 /nfs/dbraw/zinc/23/29/91/573232991.db2.gz UPAQCFMKHPASND-IUCAKERBSA-N 0 0 197.303 2.318 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@@H]1C/C=C/CO 308525391 573233012 /nfs/dbraw/zinc/23/30/12/573233012.db2.gz AWFBXWCZFVGXCY-MJKAUQOVSA-N 0 0 194.274 2.096 10 30 AEEERN O=CC[C@H]1CCC=C1Br 115906048 573233034 /nfs/dbraw/zinc/23/30/34/573233034.db2.gz KJAHGBFQWVSPTH-ZCFIWIBFSA-N 0 0 189.052 2.264 10 30 AEEERN C=CC[C@H](C)C(=O)[C@]1(C)CCOC1 715715822 573233091 /nfs/dbraw/zinc/23/30/91/573233091.db2.gz RWZROMQTCXLHEB-GXSJLCMTSA-N 0 0 182.263 2.194 10 30 AEEERN CC[C@@H]1CCC[C@H](N[C@@H](C)C#N)C1 82847679 573233147 /nfs/dbraw/zinc/23/31/47/573233147.db2.gz GBXRXJQIFXKVCA-AXFHLTTASA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H](C#N)c1c[nH]c(-c2ccco2)n1 259387143 573233156 /nfs/dbraw/zinc/23/31/56/573233156.db2.gz ADXWKTCDFSQTTM-SSDOTTSWSA-N 0 0 187.202 2.297 10 30 AEEERN C=C(C)C(=O)Oc1cccc(C)c1 115926845 573233175 /nfs/dbraw/zinc/23/31/75/573233175.db2.gz LCJIJTVLDZQYNS-UHFFFAOYSA-N 0 0 176.215 2.477 10 30 AEEERN CC1(C=NNC[C@H]2CCSC2)CC1 308313844 573233187 /nfs/dbraw/zinc/23/31/87/573233187.db2.gz TXGMTNBTQIKUEC-SECBINFHSA-N 0 0 198.335 2.115 10 30 AEEERN CCO[C@@](C)(C=O)Cc1cccs1 690026999 573233253 /nfs/dbraw/zinc/23/32/53/573233253.db2.gz XQQOEDLOOFPESC-SNVBAGLBSA-N 0 0 198.287 2.285 10 30 AEEERN CC[C@H]1CCC[C@H](NCC#N)C1 82847565 573233342 /nfs/dbraw/zinc/23/33/42/573233342.db2.gz LTTTXZPUXQJGCU-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN C#Cc1c(C)cc(C)cc1F 235741539 573233343 /nfs/dbraw/zinc/23/33/43/573233343.db2.gz BSNYTACYIHVMFT-UHFFFAOYSA-N 0 0 148.180 2.424 10 30 AEEERN CCc1cnc(Cl)c(CC#N)c1 238323480 573233412 /nfs/dbraw/zinc/23/34/12/573233412.db2.gz OXBTXWYLFWPDHA-UHFFFAOYSA-N 0 0 180.638 2.363 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H](C)CCOC 715708790 573233516 /nfs/dbraw/zinc/23/35/16/573233516.db2.gz IGBDMUGQXBYXFV-VHSXEESVSA-N 0 0 184.279 2.440 10 30 AEEERN N#C[C@@H]1CCCC[N@@H+]2CCCC[C@H]12 259388588 573234182 /nfs/dbraw/zinc/23/41/82/573234182.db2.gz AFJVTMUMNAMKQZ-WDEREUQCSA-N 0 0 178.279 2.165 10 30 AEEERN C=C(C)[C@H](O)[C@@H](C)CCC 86020305 573233562 /nfs/dbraw/zinc/23/35/62/573233562.db2.gz ZYZNPICWCDLKKG-IUCAKERBSA-N 0 0 142.242 2.360 10 30 AEEERN N#CCCC(F)(F)c1ccc[nH]1 259039445 573233697 /nfs/dbraw/zinc/23/36/97/573233697.db2.gz SPGGZRSDKBYORC-UHFFFAOYSA-N 0 0 170.162 2.410 10 30 AEEERN CC(C)(C#C[Si](C)(C)C)CCO 197232364 573233719 /nfs/dbraw/zinc/23/37/19/573233719.db2.gz PNVOWLCLMCTIAK-UHFFFAOYSA-N 0 0 184.355 2.276 10 30 AEEERN CSCCON=C1C[C@H]2C=CC[C@@H]12 308313596 573233790 /nfs/dbraw/zinc/23/37/90/573233790.db2.gz UPAQCFMKHPASND-RKDXNWHRSA-N 0 0 197.303 2.318 10 30 AEEERN CSCCON=C1C[C@H]2C=CC[C@H]12 308313593 573233810 /nfs/dbraw/zinc/23/38/10/573233810.db2.gz UPAQCFMKHPASND-BDAKNGLRSA-N 0 0 197.303 2.318 10 30 AEEERN CC(C)=CC[C@H](C)[C@H](C)[C@@H]1O[C@@H]1CO 308524736 573233815 /nfs/dbraw/zinc/23/38/15/573233815.db2.gz ASHUBQADZCNNJJ-YFKTTZPYSA-N 0 0 198.306 2.375 10 30 AEEERN CCO[C@](C)(C=O)Cc1cccs1 690026994 573233840 /nfs/dbraw/zinc/23/38/40/573233840.db2.gz XQQOEDLOOFPESC-JTQLQIEISA-N 0 0 198.287 2.285 10 30 AEEERN CSc1ccc(O)c(CCC=O)c1 258080649 573233849 /nfs/dbraw/zinc/23/38/49/573233849.db2.gz NASSBLLCMHVGGT-UHFFFAOYSA-N 0 0 196.271 2.246 10 30 AEEERN CCOCCON=CC1(C)CCC1 308313606 573233942 /nfs/dbraw/zinc/23/39/42/573233942.db2.gz UQJFZERKXKDPHU-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C=C(C)C(=O)C1CCCC1 86022392 573233945 /nfs/dbraw/zinc/23/39/45/573233945.db2.gz VZYDODYCLICHHJ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN Cc1cc(C)c2c(c1)CCN[C@H]2C#N 259386874 573233971 /nfs/dbraw/zinc/23/39/71/573233971.db2.gz AAKPQLLCEFQIHI-NSHDSACASA-N 0 0 186.258 2.014 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@H](C)CCOC 715708788 573234030 /nfs/dbraw/zinc/23/40/30/573234030.db2.gz IGBDMUGQXBYXFV-NXEZZACHSA-N 0 0 184.279 2.440 10 30 AEEERN CC(C)C[C@]1(C)OC[C@@H](CC#N)O1 258596175 573234058 /nfs/dbraw/zinc/23/40/58/573234058.db2.gz JUTQNGQDAJLTHO-NXEZZACHSA-N 0 0 183.251 2.078 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H](C)CCOC 715708789 573234102 /nfs/dbraw/zinc/23/41/02/573234102.db2.gz IGBDMUGQXBYXFV-UWVGGRQHSA-N 0 0 184.279 2.440 10 30 AEEERN C=C(CCO)CC1CCSCC1 258244193 573234110 /nfs/dbraw/zinc/23/41/10/573234110.db2.gz QEIWYCFITWGJHS-UHFFFAOYSA-N 0 0 186.320 2.458 10 30 AEEERN Cc1ccc([C@H](O)[C@@H]2C[C@@H]2C#N)cc1 115937876 573234957 /nfs/dbraw/zinc/23/49/57/573234957.db2.gz QTXRVBQYTBGSSG-UTUOFQBUSA-N 0 0 187.242 2.188 10 30 AEEERN CCO[C@@H]1SCCC[C@@H]1CC#N 259388717 573234777 /nfs/dbraw/zinc/23/47/77/573234777.db2.gz AHQZWRYSCPGTMD-RKDXNWHRSA-N 0 0 185.292 2.406 10 30 AEEERN CCN1c2ccccc2C[C@@H]1CC=O 258243691 573234803 /nfs/dbraw/zinc/23/48/03/573234803.db2.gz SOINBLMGWNQLKJ-NSHDSACASA-N 0 0 189.258 2.027 10 30 AEEERN CCN1c2ccccc2C[C@H]1CC=O 258243687 573234853 /nfs/dbraw/zinc/23/48/53/573234853.db2.gz SOINBLMGWNQLKJ-LLVKDONJSA-N 0 0 189.258 2.027 10 30 AEEERN C=C(C(=O)N[C@@H](C)CC)C(F)(F)F 308315614 573234897 /nfs/dbraw/zinc/23/48/97/573234897.db2.gz VEWKTIBJMYJULS-YFKPBYRVSA-N 0 0 195.184 2.020 10 30 AEEERN CC(C)(S)c1ccc[nH]1 259043077 573234913 /nfs/dbraw/zinc/23/49/13/573234913.db2.gz ABGFIRSWVKPKFC-UHFFFAOYSA-N 0 0 141.239 2.180 10 30 AEEERN CCC[C@@H](C)COCCO[C@@H](C)C#N 308526605 573235604 /nfs/dbraw/zinc/23/56/04/573235604.db2.gz IZKQSZPQLUKVKZ-MNOVXSKESA-N 0 0 199.294 2.368 10 30 AEEERN COc1ccc(Cl)cc1C(=O)C#N 259041787 573236095 /nfs/dbraw/zinc/23/60/95/573236095.db2.gz BAUBEAVWJBPEQF-UHFFFAOYSA-N 0 0 195.605 2.055 10 30 AEEERN C=C(C)C(=O)Cc1csc(C)n1 86022742 573237748 /nfs/dbraw/zinc/23/77/48/573237748.db2.gz SNMKHLHGIDGFPC-UHFFFAOYSA-N 0 0 181.260 2.139 10 30 AEEERN C=CCN(CCC)C(=O)C(C)(C)C 132190697 573237861 /nfs/dbraw/zinc/23/78/61/573237861.db2.gz MXAKTSMHEFAEIJ-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(C)CCCn1cc(C#N)cn1 308323265 573237866 /nfs/dbraw/zinc/23/78/66/573237866.db2.gz CUQPEHJAKMSACY-UHFFFAOYSA-N 0 0 175.235 2.111 10 30 AEEERN C=C[C@H](O)CC/C=C/CC 115966479 573237899 /nfs/dbraw/zinc/23/78/99/573237899.db2.gz LVQCRSHIONXSCD-CYNONHLPSA-N 0 0 140.226 2.280 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1nccs1 308323236 573237908 /nfs/dbraw/zinc/23/79/08/573237908.db2.gz CTHOATUZTVCKGG-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN CCCC[C@H](C)NC(=O)[C@H](C#N)CC 50889302 573237909 /nfs/dbraw/zinc/23/79/09/573237909.db2.gz TWNIMNBAGCEJMA-UWVGGRQHSA-N 0 0 196.294 2.231 10 30 AEEERN CC(C)(C#N)Cc1cc[nH]c1 259042610 573237942 /nfs/dbraw/zinc/23/79/42/573237942.db2.gz CWBGOEJNWSXINE-UHFFFAOYSA-N 0 0 148.209 2.107 10 30 AEEERN C=C(C)CC(=O)c1ccccc1N 86023096 573237956 /nfs/dbraw/zinc/23/79/56/573237956.db2.gz LWGRRAPVCNOYFB-UHFFFAOYSA-N 0 0 175.231 2.418 10 30 AEEERN Cc1cc(C)c2c(c1)CCN[C@@H]2C#N 259386868 573237976 /nfs/dbraw/zinc/23/79/76/573237976.db2.gz AAKPQLLCEFQIHI-LLVKDONJSA-N 0 0 186.258 2.014 10 30 AEEERN CC[C@H]1CC/C(=N\O)C1 105027398 573237995 /nfs/dbraw/zinc/23/79/95/573237995.db2.gz WVDCOSORLJXKOX-KRHCVIHDSA-N 0 0 127.187 2.027 10 30 AEEERN C=CCC[C@](C)(O)Cc1cncs1 132186845 573238059 /nfs/dbraw/zinc/23/80/59/573238059.db2.gz VKPJVWFBKOGELX-JTQLQIEISA-N 0 0 197.303 2.403 10 30 AEEERN C/C=C(\CC)C(=O)O[C@H](C)CC#N 308316228 573238072 /nfs/dbraw/zinc/23/80/72/573238072.db2.gz VOQIGJFSMHHMOT-SXPLAPADSA-N 0 0 181.235 2.188 10 30 AEEERN CCC[C@H](C)COCCO[C@H](C)C#N 308526608 573238082 /nfs/dbraw/zinc/23/80/82/573238082.db2.gz IZKQSZPQLUKVKZ-WDEREUQCSA-N 0 0 199.294 2.368 10 30 AEEERN CCC[C@@H](C)COCCO[C@H](C)C#N 308526604 573238141 /nfs/dbraw/zinc/23/81/41/573238141.db2.gz IZKQSZPQLUKVKZ-GHMZBOCLSA-N 0 0 199.294 2.368 10 30 AEEERN Cc1ccoc1CN[C@@H](C)[C@@H](C)C#N 308528864 573238157 /nfs/dbraw/zinc/23/81/57/573238157.db2.gz RHKCGKJSWLPUNQ-UWVGGRQHSA-N 0 0 192.262 2.226 10 30 AEEERN C[C@H]1C[C@](C#N)(N(C)C)CC[C@H]1C 82849884 573238198 /nfs/dbraw/zinc/23/81/98/573238198.db2.gz QDCNSDALNODDAA-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@@H](C)C(=O)OCC(C)(C)C#N 308315248 573238263 /nfs/dbraw/zinc/23/82/63/573238263.db2.gz UZZCYLDDOKQTKE-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN C=C(C(=O)N[C@H](C)CC)C(F)(F)F 308315613 573238285 /nfs/dbraw/zinc/23/82/85/573238285.db2.gz VEWKTIBJMYJULS-RXMQYKEDSA-N 0 0 195.184 2.020 10 30 AEEERN C#CCCCSCCn1ccnc1 308323271 573238297 /nfs/dbraw/zinc/23/82/97/573238297.db2.gz CVFQECIWMCVENM-UHFFFAOYSA-N 0 0 194.303 2.030 10 30 AEEERN C=C(C)C(=O)c1ccoc1 86023000 573238303 /nfs/dbraw/zinc/23/83/03/573238303.db2.gz NDYQTSSLBWQIHF-UHFFFAOYSA-N 0 0 136.150 2.038 10 30 AEEERN CCO[C@H]1SCCC[C@@H]1CC#N 259388712 573238311 /nfs/dbraw/zinc/23/83/11/573238311.db2.gz AHQZWRYSCPGTMD-BDAKNGLRSA-N 0 0 185.292 2.406 10 30 AEEERN C/C=C(\CC)C(=O)O[C@@H](C)CC#N 308316226 573238327 /nfs/dbraw/zinc/23/83/27/573238327.db2.gz VOQIGJFSMHHMOT-DHFUWRPHSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCC[C@](C)(O)C1CCOCC1 132177218 573238370 /nfs/dbraw/zinc/23/83/70/573238370.db2.gz YJUAPPUAQFNJNY-NSHDSACASA-N 0 0 184.279 2.130 10 30 AEEERN CCCC[C@@H](C)NC(=O)[C@H](C#N)CC 50889301 573238409 /nfs/dbraw/zinc/23/84/09/573238409.db2.gz TWNIMNBAGCEJMA-ZJUUUORDSA-N 0 0 196.294 2.231 10 30 AEEERN C=C(C)C(=O)c1ncccc1C 86022537 573238411 /nfs/dbraw/zinc/23/84/11/573238411.db2.gz YOWPRRBUVJUSPG-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C/C=C(/CC)C(=O)O[C@H](C)CC#N 308316227 573238430 /nfs/dbraw/zinc/23/84/30/573238430.db2.gz VOQIGJFSMHHMOT-HMXLAXJASA-N 0 0 181.235 2.188 10 30 AEEERN CC[C@@H](C)Oc1ccncc1C#N 306868585 573238454 /nfs/dbraw/zinc/23/84/54/573238454.db2.gz RHEKJOFDWPORJJ-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CCCc1ccc(N)c(C#N)c1C 306581490 573238536 /nfs/dbraw/zinc/23/85/36/573238536.db2.gz ORRJAQVXHYYGDZ-UHFFFAOYSA-N 0 0 174.247 2.401 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@@](C#N)(NC2CC2)C1 82860200 573240433 /nfs/dbraw/zinc/24/04/33/573240433.db2.gz HVEKZJHMLPHZDP-CKYFFXLPSA-N 0 0 192.306 2.457 10 30 AEEERN C=CCC[C@@](C)(O)Cc1cncs1 132186611 573239978 /nfs/dbraw/zinc/23/99/78/573239978.db2.gz VKPJVWFBKOGELX-SNVBAGLBSA-N 0 0 197.303 2.403 10 30 AEEERN N#C[C@@H]1C[C@H](C2CCCC2)CCN1 259388641 573239987 /nfs/dbraw/zinc/23/99/87/573239987.db2.gz AFUOYOLQIWVSBG-MNOVXSKESA-N 0 0 178.279 2.068 10 30 AEEERN COc1ccc(C(=O)CC#N)cc1C 259041809 573240025 /nfs/dbraw/zinc/24/00/25/573240025.db2.gz BBGGPBAVWRMPKZ-UHFFFAOYSA-N 0 0 189.214 2.100 10 30 AEEERN C=C(C)C(=O)CSC(C)C 86023162 573240078 /nfs/dbraw/zinc/24/00/78/573240078.db2.gz QDYILPUQPYBKKO-UHFFFAOYSA-N 0 0 158.266 2.273 10 30 AEEERN Cc1cccc(C)c1CCC(=O)C#N 259388663 573240111 /nfs/dbraw/zinc/24/01/11/573240111.db2.gz AGEJQJVIGPUICW-UHFFFAOYSA-N 0 0 187.242 2.329 10 30 AEEERN C[C@@H]1CC[C@](C#N)(NC2CC2)[C@H](C)C1 82860196 573240150 /nfs/dbraw/zinc/24/01/50/573240150.db2.gz CKDMBSDBTDWFNJ-CKYFFXLPSA-N 0 0 192.306 2.457 10 30 AEEERN C=C(C)C(=O)c1cc(C)ccn1 86022940 573240236 /nfs/dbraw/zinc/24/02/36/573240236.db2.gz SMZNQTMXGUTSRG-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN CCO[C@@H]1SCCC[C@H]1CC#N 259388714 573240298 /nfs/dbraw/zinc/24/02/98/573240298.db2.gz AHQZWRYSCPGTMD-DTWKUNHWSA-N 0 0 185.292 2.406 10 30 AEEERN CC#CCC[C@H](NN)[C@@H]1CC[C@H](C)C1 253016643 573240454 /nfs/dbraw/zinc/24/04/54/573240454.db2.gz VQABSZHYCSMPPX-TUAOUCFPSA-N 0 0 194.322 2.058 10 30 AEEERN CCN[C@]1(C#N)CC[C@@H](C)C[C@@H]1C 82860160 573240386 /nfs/dbraw/zinc/24/03/86/573240386.db2.gz YXWKCLRFMGBOTH-VWYCJHECSA-N 0 0 180.295 2.314 10 30 AEEERN N#CCc1cccc(Cl)c1C#N 116065511 573241243 /nfs/dbraw/zinc/24/12/43/573241243.db2.gz TZXRUWPVCPFZBI-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN C=CCN[C@]1(C#N)CCC[C@@H](C)[C@H]1C 82860382 573241104 /nfs/dbraw/zinc/24/11/04/573241104.db2.gz QNEZJCIEJWGKIV-UTUOFQBUSA-N 0 0 192.306 2.480 10 30 AEEERN CCN[C@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860164 573241265 /nfs/dbraw/zinc/24/12/65/573241265.db2.gz MWLFFTWNTGJXAS-DCAQKATOSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@H](C)C[C@H]1C 82860387 573241180 /nfs/dbraw/zinc/24/11/80/573241180.db2.gz UBXHEGNBNIYWCT-TUAOUCFPSA-N 0 0 192.306 2.480 10 30 AEEERN Cc1ccc([C@@H](C#N)c2ncccn2)o1 259045479 573241311 /nfs/dbraw/zinc/24/13/11/573241311.db2.gz FVLZRLAYLSSMQL-SECBINFHSA-N 0 0 199.213 2.034 10 30 AEEERN CC[C@@H](C#N)c1ccccc1CO 238315683 573241707 /nfs/dbraw/zinc/24/17/07/573241707.db2.gz SPSOYQVSPXVZFS-VIFPVBQESA-N 0 0 175.231 2.196 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc2c(c1)CCCO2 259390981 573241726 /nfs/dbraw/zinc/24/17/26/573241726.db2.gz RNPATZXDKUCOPZ-QPUJVOFHSA-N 0 0 190.242 2.471 10 30 AEEERN CC=CC(=O)c1ncccc1Cl 236036482 573241729 /nfs/dbraw/zinc/24/17/29/573241729.db2.gz HLKKCJHNNJIWII-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc2c(c1)CCCO2 259390985 573241784 /nfs/dbraw/zinc/24/17/84/573241784.db2.gz RNPATZXDKUCOPZ-UFBFGSQYSA-N 0 0 190.242 2.471 10 30 AEEERN C=CCOC(CC)OCC=C 77951316 573241830 /nfs/dbraw/zinc/24/18/30/573241830.db2.gz OIDUDDROVIJRCD-UHFFFAOYSA-N 0 0 156.225 2.128 10 30 AEEERN C=CC[C@H](/C=C\CCC)OCCO 215101068 573241852 /nfs/dbraw/zinc/24/18/52/573241852.db2.gz PGGZGGKZNGCDAD-BPOWMSRESA-N 0 0 184.279 2.296 10 30 AEEERN C#CCON=C(CCC=C)C1CC1 308320236 573241944 /nfs/dbraw/zinc/24/19/44/573241944.db2.gz ARPKOTGLBJZWQF-UHFFFAOYSA-N 0 0 177.247 2.368 10 30 AEEERN Cc1ccc([C@H](C#N)c2ncccn2)o1 259045482 573242388 /nfs/dbraw/zinc/24/23/88/573242388.db2.gz FVLZRLAYLSSMQL-VIFPVBQESA-N 0 0 199.213 2.034 10 30 AEEERN CC#CCC(=O)[C@H](OC)C(C)(C)C 132200566 573242500 /nfs/dbraw/zinc/24/25/00/573242500.db2.gz SHMRWROMKIPTQM-JTQLQIEISA-N 0 0 182.263 2.030 10 30 AEEERN CC#CC[C@@H](NN)C(C(C)C)C(C)C 308521553 573243184 /nfs/dbraw/zinc/24/31/84/573243184.db2.gz HWHVEFDYKPUPFC-LLVKDONJSA-N 0 0 196.338 2.160 10 30 AEEERN C=C(C)C[C@@H](O)CSC(C)C 86060110 573243962 /nfs/dbraw/zinc/24/39/62/573243962.db2.gz QFIZFHNTLNKGJD-SECBINFHSA-N 0 0 174.309 2.455 10 30 AEEERN CC[C@H](C#N)CNc1cccnc1 259045182 573243966 /nfs/dbraw/zinc/24/39/66/573243966.db2.gz RSNKQSWORWGNNS-SECBINFHSA-N 0 0 175.235 2.043 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@@](C#N)(N(C)C)C1 82861650 573243992 /nfs/dbraw/zinc/24/39/92/573243992.db2.gz AOCGNUXZLZOWFS-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN C=C[C@@H](O)CC=C(Cl)Cl 223952786 573244001 /nfs/dbraw/zinc/24/40/01/573244001.db2.gz MULRWYJVMDENOK-RXMQYKEDSA-N 0 0 167.035 2.242 10 30 AEEERN C=CC[C@@H]1C=CC[C@H](C/C=C\CO)O1 308529211 573243864 /nfs/dbraw/zinc/24/38/64/573243864.db2.gz BYQZLACPECCGAJ-BKGLOODYSA-N 0 0 194.274 2.215 10 30 AEEERN Cc1cccc(NCS)c1 258607322 573243872 /nfs/dbraw/zinc/24/38/72/573243872.db2.gz IDJJBJHGDOPHOE-UHFFFAOYSA-N 0 0 153.250 2.294 10 30 AEEERN C=C(C)c1cccc(N(C)C)c1O 238315559 573245284 /nfs/dbraw/zinc/24/52/84/573245284.db2.gz SLDWVVCOKMSRLC-UHFFFAOYSA-N 0 0 177.247 2.491 10 30 AEEERN Cc1c(Cl)cccc1NCC=O 258607237 573245394 /nfs/dbraw/zinc/24/53/94/573245394.db2.gz IBOSJXSLEDEDCF-UHFFFAOYSA-N 0 0 183.638 2.259 10 30 AEEERN C=C(C)CNC(=O)/C=C\C1CCC1 308320214 573244755 /nfs/dbraw/zinc/24/47/55/573244755.db2.gz AQGRGPDJSIHWQK-SREVYHEPSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCC[C@](C)(O)COCCC 132199992 573244793 /nfs/dbraw/zinc/24/47/93/573244793.db2.gz WWDQOICRLCHIKF-JTQLQIEISA-N 0 0 172.268 2.130 10 30 AEEERN C=CCN[C@H](C#N)C1(C(C)C)CCC1 686132486 573244798 /nfs/dbraw/zinc/24/47/98/573244798.db2.gz DWDDYQXKCGTLLE-LLVKDONJSA-N 0 0 192.306 2.480 10 30 AEEERN C=CCC[C@@](C)(O)Cc1ccccn1 132207971 573244815 /nfs/dbraw/zinc/24/48/15/573244815.db2.gz QMIZKFOGEJAOIQ-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=C(C)CNC(=O)/C=C/C1CCC1 308320215 573244860 /nfs/dbraw/zinc/24/48/60/573244860.db2.gz AQGRGPDJSIHWQK-VOTSOKGWSA-N 0 0 179.263 2.035 10 30 AEEERN C#C[C@H](C)Oc1cc(C=O)ccc1C 235551467 573244949 /nfs/dbraw/zinc/24/49/49/573244949.db2.gz ZDSJVURWHGXUCD-JTQLQIEISA-N 0 0 188.226 2.208 10 30 AEEERN C[C@@H]1CC[C@](C#N)(N(C)C)[C@H](C)C1 82861646 573244958 /nfs/dbraw/zinc/24/49/58/573244958.db2.gz PJSCPZPJPNGTKD-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN N#Cc1ccc(C(F)(F)Cl)nc1 116128533 573244998 /nfs/dbraw/zinc/24/49/98/573244998.db2.gz OHVLWPYQADZCNA-UHFFFAOYSA-N 0 0 188.564 2.241 10 30 AEEERN CCC[C@H](C)[C@H](C)C=O 116103010 573245082 /nfs/dbraw/zinc/24/50/82/573245082.db2.gz JDLLXDLGRPABIC-JGVFFNPUSA-N 0 0 128.215 2.258 10 30 AEEERN C=C(C)CC1=CC(=O)CC1 86063570 573245126 /nfs/dbraw/zinc/24/51/26/573245126.db2.gz NFLTVQSKYRIXHU-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C#CCCC(=O)c1ncccc1Cl 236036492 573245128 /nfs/dbraw/zinc/24/51/28/573245128.db2.gz HEZCPPAQYLEWGF-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN C=CCOc1nccc(C#N)c1Cl 236031529 573245142 /nfs/dbraw/zinc/24/51/42/573245142.db2.gz DZHSQQIABSAOEI-UHFFFAOYSA-N 0 0 194.621 2.171 10 30 AEEERN C=CCCOC(=O)[C@H]1C[C@H]1C1CC1 308320616 573245150 /nfs/dbraw/zinc/24/51/50/573245150.db2.gz AXDRNRSFGFZZQY-UWVGGRQHSA-N 0 0 180.247 2.152 10 30 AEEERN C#CCCCCN[C@@H](C)C(F)(F)F 308320572 573245195 /nfs/dbraw/zinc/24/51/95/573245195.db2.gz AUQLFWGNDTUAGA-QMMMGPOBSA-N 0 0 193.212 2.330 10 30 AEEERN CC[C@@](O)(CC=O)c1ccccc1F 159431393 573245196 /nfs/dbraw/zinc/24/51/96/573245196.db2.gz NQKUQAGCGMQRLF-LLVKDONJSA-N 0 0 196.221 2.012 10 30 AEEERN C=CCCOC(=O)[C@H]1C[C@@H]1C1CC1 308320618 573245209 /nfs/dbraw/zinc/24/52/09/573245209.db2.gz AXDRNRSFGFZZQY-ZJUUUORDSA-N 0 0 180.247 2.152 10 30 AEEERN C[C@H]1O[C@H]1c1ccc2c(c1)CCCO2 259390978 573245250 /nfs/dbraw/zinc/24/52/50/573245250.db2.gz RNPATZXDKUCOPZ-PRHODGIISA-N 0 0 190.242 2.471 10 30 AEEERN C=CCC[C@@](C)(O)C1=COCCC1 132212617 573245279 /nfs/dbraw/zinc/24/52/79/573245279.db2.gz XWOHTNRSRJXEMO-LLVKDONJSA-N 0 0 182.263 2.398 10 30 AEEERN Cc1ccnc([C@H](C#N)C(C)C)n1 259044384 573245359 /nfs/dbraw/zinc/24/53/59/573245359.db2.gz INPWJOCTVVJRPS-SECBINFHSA-N 0 0 175.235 2.048 10 30 AEEERN COCCCc1ccc(CC#N)cc1 259391402 573246469 /nfs/dbraw/zinc/24/64/69/573246469.db2.gz KVHVNMVJHKMJBX-UHFFFAOYSA-N 0 0 189.258 2.332 10 30 AEEERN C=CC[C@H](C[C@H](C)C(C)(C)C)NN 129164574 573246082 /nfs/dbraw/zinc/24/60/82/573246082.db2.gz YGIBCKBKEAAPID-VHSXEESVSA-N 0 0 184.327 2.467 10 30 AEEERN C=CC[C@@H](NN)c1cccc(C)c1F 129152355 573246160 /nfs/dbraw/zinc/24/61/60/573246160.db2.gz ODRGWLRJNZXZOQ-SNVBAGLBSA-N 0 0 194.253 2.215 10 30 AEEERN C=CC[C@H](C)[C@@H](NN)C(F)(F)CC 715732641 573246232 /nfs/dbraw/zinc/24/62/32/573246232.db2.gz LDFMDLLQRFWLBI-JGVFFNPUSA-N 0 0 192.253 2.076 10 30 AEEERN N#CCC(F)(F)C1CCC1 259045761 573246234 /nfs/dbraw/zinc/24/62/34/573246234.db2.gz UJTJSENRUQDAKQ-UHFFFAOYSA-N 0 0 145.152 2.335 10 30 AEEERN Cc1ccnc([C@@H](C#N)C(C)C)n1 259044386 573246241 /nfs/dbraw/zinc/24/62/41/573246241.db2.gz INPWJOCTVVJRPS-VIFPVBQESA-N 0 0 175.235 2.048 10 30 AEEERN CCOC1=C(C)C(=O)CC[C@H]1C 238316620 573246402 /nfs/dbraw/zinc/24/64/02/573246402.db2.gz QJNIVFATCHHVMK-SSDOTTSWSA-N 0 0 168.236 2.296 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(N(C)C)[C@@H]1C 82861652 573246438 /nfs/dbraw/zinc/24/64/38/573246438.db2.gz XNDAKSNFNOSMJJ-MXWKQRLJSA-N 0 0 180.295 2.266 10 30 AEEERN CCCc1cc(C)nc(CS)n1 259048612 573248088 /nfs/dbraw/zinc/24/80/88/573248088.db2.gz IXAVEKQJYSHZTF-UHFFFAOYSA-N 0 0 182.292 2.167 10 30 AEEERN C=CCN(CC=C)c1ccc(C#N)nc1 129173387 573248107 /nfs/dbraw/zinc/24/81/07/573248107.db2.gz GZXPPNPJYRFJEX-UHFFFAOYSA-N 0 0 199.257 2.132 10 30 AEEERN C=C(C)CCSc1cccc[n+]1[O-] 308322521 573248112 /nfs/dbraw/zinc/24/81/12/573248112.db2.gz CHKYXECGZMVVFO-UHFFFAOYSA-N 0 0 195.287 2.378 10 30 AEEERN C=C1CCC2=CC(=O)C(=C)[C@]12C 197254532 573248205 /nfs/dbraw/zinc/24/82/05/573248205.db2.gz CRWILWAMLOXUMZ-NSHDSACASA-N 0 0 160.216 2.408 10 30 AEEERN CC(C)CC(=O)C1(C#N)CCC1 259053125 573248241 /nfs/dbraw/zinc/24/82/41/573248241.db2.gz BZXVTMLOERLDLV-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@@H](C)n1ccc(CS)n1 82867494 573248355 /nfs/dbraw/zinc/24/83/55/573248355.db2.gz SOBGPNHZYYPVFI-SSDOTTSWSA-N 0 0 170.281 2.284 10 30 AEEERN CCOC1=C(C)C[C@@H](C=O)CC1 238316716 573248415 /nfs/dbraw/zinc/24/84/15/573248415.db2.gz FHOWHYXKHUIPEO-VIFPVBQESA-N 0 0 168.236 2.296 10 30 AEEERN CCC1=Cc2cc(O)ccc2C1=O 238317400 573248441 /nfs/dbraw/zinc/24/84/41/573248441.db2.gz WGXZFYPXESHLKP-UHFFFAOYSA-N 0 0 174.199 2.382 10 30 AEEERN C=CCCC(=O)O[C@@H](C=C)C1CC1 308322081 573248490 /nfs/dbraw/zinc/24/84/90/573248490.db2.gz BXTIVFOVGBYUCN-JTQLQIEISA-N 0 0 180.247 2.460 10 30 AEEERN CCc1cc(C)nc(Cl)c1C#N 259391770 573248503 /nfs/dbraw/zinc/24/85/03/573248503.db2.gz ALUKGNFDMZENFY-UHFFFAOYSA-N 0 0 180.638 2.478 10 30 AEEERN CCOC1=C(C)C(=O)CC[C@@H]1C 238316610 573248553 /nfs/dbraw/zinc/24/85/53/573248553.db2.gz QJNIVFATCHHVMK-ZETCQYMHSA-N 0 0 168.236 2.296 10 30 AEEERN CC[C@H](C)n1ccc(CS)n1 82867495 573248582 /nfs/dbraw/zinc/24/85/82/573248582.db2.gz SOBGPNHZYYPVFI-ZETCQYMHSA-N 0 0 170.281 2.284 10 30 AEEERN CC(C)Cc1oc(C#N)nc1Cl 259393674 573248605 /nfs/dbraw/zinc/24/86/05/573248605.db2.gz AQQZFIMTNDODAL-UHFFFAOYSA-N 0 0 184.626 2.398 10 30 AEEERN CCOc1ccc(CC=O)cc1C 259051939 573248640 /nfs/dbraw/zinc/24/86/40/573248640.db2.gz DXTFQXIAJIFIML-UHFFFAOYSA-N 0 0 178.231 2.135 10 30 AEEERN C=C(C)CNC(=O)/C=C/C(C)=C/C 308321825 573248657 /nfs/dbraw/zinc/24/86/57/573248657.db2.gz ZCPKKZODICWVLE-XYLIHAQWSA-N 0 0 179.263 2.201 10 30 AEEERN N#C[C@H](c1cccnc1)c1cc[nH]c1 259047596 573248696 /nfs/dbraw/zinc/24/86/96/573248696.db2.gz GAXKUJFWSGBLTL-LLVKDONJSA-N 0 0 183.214 2.065 10 30 AEEERN N#CCc1ccn(C2CCCCC2)n1 82867470 573248768 /nfs/dbraw/zinc/24/87/68/573248768.db2.gz XEOJXDCBCVWXIB-UHFFFAOYSA-N 0 0 189.262 2.454 10 30 AEEERN CC[C@H](C)C(C)=NN[C@@H](C)CC#N 308322620 573249174 /nfs/dbraw/zinc/24/91/74/573249174.db2.gz ZOTLDEZXPHTXSJ-IUCAKERBSA-N 0 0 181.283 2.300 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc(N(C)C)cc1 258611082 573248887 /nfs/dbraw/zinc/24/88/87/573248887.db2.gz ASWYRQKIVCHBIH-KCJUWKMLSA-N 0 0 177.247 2.212 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@@H](F)C1 308322745 573248916 /nfs/dbraw/zinc/24/89/16/573248916.db2.gz CMBXYGPQUXBLLZ-XHNCKOQMSA-N 0 0 186.226 2.242 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@H](F)C1 308322746 573248945 /nfs/dbraw/zinc/24/89/45/573248945.db2.gz CMBXYGPQUXBLLZ-YIZRAAEISA-N 0 0 186.226 2.242 10 30 AEEERN C=CC[C@@H](C)[C@H](NN)C(F)(F)CC 715732642 573248946 /nfs/dbraw/zinc/24/89/46/573248946.db2.gz LDFMDLLQRFWLBI-SFYZADRCSA-N 0 0 192.253 2.076 10 30 AEEERN CCOC1=C(C(C)C)C(=O)CC1 238316544 573249046 /nfs/dbraw/zinc/24/90/46/573249046.db2.gz ZCGOHIYCFQYUSM-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C#CCOc1ccc(C=O)c(Cl)c1 236053635 573249102 /nfs/dbraw/zinc/24/91/02/573249102.db2.gz JOGSYYTUPHCJPZ-UHFFFAOYSA-N 0 0 194.617 2.165 10 30 AEEERN CC#CCCCOC(=O)CC(C)C 308321900 573249106 /nfs/dbraw/zinc/24/91/06/573249106.db2.gz BTJNCKYXYGCPEJ-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN CC[C@H](O)c1ccc(C#N)c(F)c1 238317117 573249973 /nfs/dbraw/zinc/24/99/73/573249973.db2.gz FLUJGBSFRCSPPL-JTQLQIEISA-N 0 0 179.194 2.141 10 30 AEEERN CCOC1=C(C)C[C@H](C=O)CC1 238316730 573249987 /nfs/dbraw/zinc/24/99/87/573249987.db2.gz FHOWHYXKHUIPEO-SECBINFHSA-N 0 0 168.236 2.296 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc(N(C)C)cc1 258611077 573249815 /nfs/dbraw/zinc/24/98/15/573249815.db2.gz ASWYRQKIVCHBIH-GZMMTYOYSA-N 0 0 177.247 2.212 10 30 AEEERN C=CC[C@@H](C)[C@@H](NN)C(F)(F)CC 715732638 573249919 /nfs/dbraw/zinc/24/99/19/573249919.db2.gz LDFMDLLQRFWLBI-HTQZYQBOSA-N 0 0 192.253 2.076 10 30 AEEERN Cc1cc(Cl)ccc1NC(=O)C#N 258610639 573249945 /nfs/dbraw/zinc/24/99/45/573249945.db2.gz BGWMDUMJBXMQPM-UHFFFAOYSA-N 0 0 194.621 2.111 10 30 AEEERN C=CC[C@H](C)[C@H](NN)C(F)(F)CC 715732647 573250059 /nfs/dbraw/zinc/25/00/59/573250059.db2.gz LDFMDLLQRFWLBI-YUMQZZPRSA-N 0 0 192.253 2.076 10 30 AEEERN CC[C@H](C)C(C)=NN[C@H](C)CC#N 308322619 573250061 /nfs/dbraw/zinc/25/00/61/573250061.db2.gz ZOTLDEZXPHTXSJ-DTWKUNHWSA-N 0 0 181.283 2.300 10 30 AEEERN COC(C)(C)c1nc(CC#N)cs1 86075298 573250154 /nfs/dbraw/zinc/25/01/54/573250154.db2.gz MPXQRMHZBHHXAZ-UHFFFAOYSA-N 0 0 196.275 2.091 10 30 AEEERN O=CC[C@@H]1Cc2c(Cl)cccc2N1 257983605 573250797 /nfs/dbraw/zinc/25/07/97/573250797.db2.gz AYJXWMMREHZKJF-SSDOTTSWSA-N 0 0 195.649 2.266 10 30 AEEERN C#C[C@H](C)Oc1cc(F)cc(C=O)c1 235555010 573250807 /nfs/dbraw/zinc/25/08/07/573250807.db2.gz GGBKOSGOXSQJFP-QMMMGPOBSA-N 0 0 192.189 2.039 10 30 AEEERN N#Cc1ccc2c(c1F)CCC2 257977400 573250808 /nfs/dbraw/zinc/25/08/08/573250808.db2.gz JEJQNWUXZMGJCP-UHFFFAOYSA-N 0 0 161.179 2.186 10 30 AEEERN Cc1ccc(CCC=O)c(Cl)c1O 258247710 573251070 /nfs/dbraw/zinc/25/10/70/573251070.db2.gz XJLSWGDSWFEDEH-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN C=C(C)c1c(Cl)cnn1C 259052095 573251145 /nfs/dbraw/zinc/25/11/45/573251145.db2.gz AZDRRPRXJLLCCU-UHFFFAOYSA-N 0 0 156.616 2.107 10 30 AEEERN C=C(CCO)C[C@@H](O)c1ccccc1 238636608 573251164 /nfs/dbraw/zinc/25/11/64/573251164.db2.gz BPBZEOHDLGGYMC-GFCCVEGCSA-N 0 0 192.258 2.049 10 30 AEEERN CC(=NO)c1ccc(OCCF)cc1 308322379 573251180 /nfs/dbraw/zinc/25/11/80/573251180.db2.gz ZMIABIHGSOMEHU-UHFFFAOYSA-N 0 0 197.209 2.233 10 30 AEEERN Cc1cccc(C(=O)C2(C#N)CC2)c1 259049205 573251198 /nfs/dbraw/zinc/25/11/98/573251198.db2.gz BQRBDVYHTGNPNC-UHFFFAOYSA-N 0 0 185.226 2.482 10 30 AEEERN C=CC[C@@H](C)[C@H]1CCCCNC1=O 715735470 573251432 /nfs/dbraw/zinc/25/14/32/573251432.db2.gz WMXDCWJKJWPWLN-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CC[C@H](C)[C@@H](NN)C(C)(C)CC 715734482 573252266 /nfs/dbraw/zinc/25/22/66/573252266.db2.gz ABGUIKRPBICXAA-VHSXEESVSA-N 0 0 184.327 2.467 10 30 AEEERN CC[C@H]([NH3+])c1cccc(C)c1C#N 238317709 573252368 /nfs/dbraw/zinc/25/23/68/573252368.db2.gz JWDNGQKOXHFANB-NSHDSACASA-N 0 0 174.247 2.277 10 30 AEEERN CNC1=C2C(=O)CCC[C@H]2CCC1 238317635 573252375 /nfs/dbraw/zinc/25/23/75/573252375.db2.gz PXGDEYAKUXEPPG-MRVPVSSYSA-N 0 0 179.263 2.013 10 30 AEEERN C=CCN(C(=O)OC)[C@@H](C)C(C)C 308328943 573252384 /nfs/dbraw/zinc/25/23/84/573252384.db2.gz HNDGRFKMMRHCSA-VIFPVBQESA-N 0 0 185.267 2.285 10 30 AEEERN Cc1ccc2c(CC=O)coc2c1 258259586 573252423 /nfs/dbraw/zinc/25/24/23/573252423.db2.gz RWZGBCNBUKJQHN-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C=CCN(CC)c1cncc(Cl)n1 308328163 573252498 /nfs/dbraw/zinc/25/24/98/573252498.db2.gz GXNRTCKUYRPYGN-UHFFFAOYSA-N 0 0 197.669 2.142 10 30 AEEERN CC(C)(C)Cc1cc(C#N)on1 259392489 573252583 /nfs/dbraw/zinc/25/25/83/573252583.db2.gz GJSNZDHKGYJUIV-UHFFFAOYSA-N 0 0 164.208 2.135 10 30 AEEERN CC[C@H](C)[C@@H](C#N)NC(=O)CC(C)C 259391487 573252634 /nfs/dbraw/zinc/25/26/34/573252634.db2.gz KWCXSTLFWQAYOG-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN C=CCNN=C1CCC[C@H]2C[C@@]12C 308327598 573252661 /nfs/dbraw/zinc/25/26/61/573252661.db2.gz HUUWJMLWHKZTBA-GXSJLCMTSA-N 0 0 178.279 2.328 10 30 AEEERN Cc1cc2oc(C#N)c(N)c2s1 259392462 573252685 /nfs/dbraw/zinc/25/26/85/573252685.db2.gz GJHXTVPBHOTHHX-UHFFFAOYSA-N 0 0 178.216 2.257 10 30 AEEERN COc1ccc2c(c1)CC/C(=N\O)C2 116170683 573252883 /nfs/dbraw/zinc/25/28/83/573252883.db2.gz QIXYMZYWOZAOOZ-ZRDIBKRKSA-N 0 0 191.230 2.014 10 30 AEEERN O=CCc1ccn(C2CCCCC2)n1 82876566 573252896 /nfs/dbraw/zinc/25/28/96/573252896.db2.gz JUOPFYDANMLGAL-UHFFFAOYSA-N 0 0 192.262 2.130 10 30 AEEERN N#Cc1nc(-c2ccccc2F)c[nH]1 259055030 573252950 /nfs/dbraw/zinc/25/29/50/573252950.db2.gz JCIZFGUZZFTBES-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN C=CC[C@H](C)C(=O)CCn1ccnc1 715742847 573252954 /nfs/dbraw/zinc/25/29/54/573252954.db2.gz FCNKJQUIGJAKEB-JTQLQIEISA-N 0 0 192.262 2.055 10 30 AEEERN C=CC[C@@H](C)C(C)=NOCCOC 308327741 573252996 /nfs/dbraw/zinc/25/29/96/573252996.db2.gz GNUIALWFOJTGSV-SECBINFHSA-N 0 0 185.267 2.238 10 30 AEEERN N#Cc1ccc(-c2ccc(N)s2)o1 259392527 573253114 /nfs/dbraw/zinc/25/31/14/573253114.db2.gz GKIRTZAIHJYFIU-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN CC(/C=C/c1ccco1)=N/O 105332453 573253170 /nfs/dbraw/zinc/25/31/70/573253170.db2.gz FQVOTFYZEZERCB-ADNKFJFNSA-N 0 0 151.165 2.143 10 30 AEEERN C=C[C@@H](O)c1occc1CC 238318361 573253173 /nfs/dbraw/zinc/25/31/73/573253173.db2.gz CSLGKHWHJUPNLT-MRVPVSSYSA-N 0 0 152.193 2.061 10 30 AEEERN C=C(CCO)C[C@@H](O)C1CCCCC1 238636572 573253202 /nfs/dbraw/zinc/25/32/02/573253202.db2.gz RQGPSHKBRPHIOE-GFCCVEGCSA-N 0 0 198.306 2.256 10 30 AEEERN C=C(CCO)Cc1cccc(OC)c1 258250796 573253226 /nfs/dbraw/zinc/25/32/26/573253226.db2.gz QNVQTZQPEBEPMF-UHFFFAOYSA-N 0 0 192.258 2.176 10 30 AEEERN CCN1C[C@@H](C=O)c2c(C)cccc21 258251249 573253271 /nfs/dbraw/zinc/25/32/71/573253271.db2.gz XTTJTRBCBXERPM-JTQLQIEISA-N 0 0 189.258 2.117 10 30 AEEERN C=CC[C@H](C)C(C)=NOCCOC 308327742 573253307 /nfs/dbraw/zinc/25/33/07/573253307.db2.gz GNUIALWFOJTGSV-VIFPVBQESA-N 0 0 185.267 2.238 10 30 AEEERN C=CC[C@@H](C)[C@H](NN)C(C)(C)CC 715734483 573253327 /nfs/dbraw/zinc/25/33/27/573253327.db2.gz ABGUIKRPBICXAA-ZJUUUORDSA-N 0 0 184.327 2.467 10 30 AEEERN N#Cc1cc(-c2cscn2)ns1 259391645 573253434 /nfs/dbraw/zinc/25/34/34/573253434.db2.gz JCPMNBOAUWWGIG-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN C[C@@]1(C#N)C[C@@H]1c1cccnc1 259056603 573253440 /nfs/dbraw/zinc/25/34/40/573253440.db2.gz WBJRWAUIIDFFQQ-ZJUUUORDSA-N 0 0 158.204 2.099 10 30 AEEERN CC[C@@H](C)n1ccc(CCC#N)n1 82876885 573253454 /nfs/dbraw/zinc/25/34/54/573253454.db2.gz UJTKTJCSWKUKBD-SECBINFHSA-N 0 0 177.251 2.310 10 30 AEEERN C[C@H]1Cc2cccc(CCC=O)c2O1 257979382 573253474 /nfs/dbraw/zinc/25/34/74/573253474.db2.gz DQAYSNDOEGWPEU-VIFPVBQESA-N 0 0 190.242 2.142 10 30 AEEERN CCOc1ccc2[nH]c(C#N)cc2c1 259392146 573253497 /nfs/dbraw/zinc/25/34/97/573253497.db2.gz AQCFPIATXMIFNV-UHFFFAOYSA-N 0 0 186.214 2.438 10 30 AEEERN C=CC[C@H](C)[C@@H]1CCCCNC1=O 715735473 573253502 /nfs/dbraw/zinc/25/35/02/573253502.db2.gz WMXDCWJKJWPWLN-UWVGGRQHSA-N 0 0 181.279 2.115 10 30 AEEERN CCCOCC1=CC(=O)C[C@H](C)C1 308328683 573253543 /nfs/dbraw/zinc/25/35/43/573253543.db2.gz IWFRVPANLPBFAX-SECBINFHSA-N 0 0 182.263 2.338 10 30 AEEERN N#Cc1ccc(F)c(F)c1OCF 306595848 573254026 /nfs/dbraw/zinc/25/40/26/573254026.db2.gz LRWJAXVLSGZWHD-UHFFFAOYSA-N 0 0 187.120 2.142 10 30 AEEERN C#CCCCCOC(=O)C=C(C)C 308328353 573254044 /nfs/dbraw/zinc/25/40/44/573254044.db2.gz IORRPGQCPJCPTR-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C=CCN(C(=O)OC)[C@H](C)C(C)C 308328942 573254130 /nfs/dbraw/zinc/25/41/30/573254130.db2.gz HNDGRFKMMRHCSA-SECBINFHSA-N 0 0 185.267 2.285 10 30 AEEERN CC(=O)CCCCON=C1CCC1 308327592 573254274 /nfs/dbraw/zinc/25/42/74/573254274.db2.gz HUPGCYXDECTISZ-UHFFFAOYSA-N 0 0 183.251 2.302 10 30 AEEERN C[C@@H](CCC=O)C1=CC(=O)CCC1 238420764 573254365 /nfs/dbraw/zinc/25/43/65/573254365.db2.gz NZEOQRJQXYRVGV-VIFPVBQESA-N 0 0 180.247 2.281 10 30 AEEERN CCN1C[C@H](C=O)c2c(C)cccc21 258251255 573254390 /nfs/dbraw/zinc/25/43/90/573254390.db2.gz XTTJTRBCBXERPM-SNVBAGLBSA-N 0 0 189.258 2.117 10 30 AEEERN N#CCCc1ccn(C2CCCC2)n1 82876888 573254440 /nfs/dbraw/zinc/25/44/40/573254440.db2.gz KLLGSSRAMZKSHS-UHFFFAOYSA-N 0 0 189.262 2.454 10 30 AEEERN CCCOCC1=CC(=O)C[C@@H](C)C1 308328685 573254482 /nfs/dbraw/zinc/25/44/82/573254482.db2.gz IWFRVPANLPBFAX-VIFPVBQESA-N 0 0 182.263 2.338 10 30 AEEERN C=CC(=O)c1occc1CC 238318231 573254543 /nfs/dbraw/zinc/25/45/43/573254543.db2.gz WHTUPLPDTNRHON-UHFFFAOYSA-N 0 0 150.177 2.211 10 30 AEEERN CNC1=C2C(=O)CCC[C@@H]2CCC1 238317645 573254683 /nfs/dbraw/zinc/25/46/83/573254683.db2.gz PXGDEYAKUXEPPG-QMMMGPOBSA-N 0 0 179.263 2.013 10 30 AEEERN C=CC(Cl)(Cl)[C@@H](O)/C=C/C 223952407 573254843 /nfs/dbraw/zinc/25/48/43/573254843.db2.gz DQBZMODKOIBWQH-QVQDZQDPSA-N 0 0 181.062 2.283 10 30 AEEERN N#Cc1cc(N)c(F)c2ccsc12 306590814 573254869 /nfs/dbraw/zinc/25/48/69/573254869.db2.gz YCHMHGLMTNUDAY-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC(C)[C@@H](C#N)Cc1ccncc1 259394671 573254895 /nfs/dbraw/zinc/25/48/95/573254895.db2.gz NTJDEOQKGCLNBB-LLVKDONJSA-N 0 0 174.247 2.420 10 30 AEEERN C=C(Cl)CN(C[C@@H](C)C#N)C1CC1 308327848 573254997 /nfs/dbraw/zinc/25/49/97/573254997.db2.gz HYCVJHMQDBFGJQ-QMMMGPOBSA-N 0 0 198.697 2.363 10 30 AEEERN Cc1nc2cc(CCC=O)ccc2[nH]1 257979291 573255054 /nfs/dbraw/zinc/25/50/54/573255054.db2.gz DOYCTOSJUUZLHK-UHFFFAOYSA-N 0 0 188.230 2.003 10 30 AEEERN C=C[C@H](O)CC=C(Cl)Cl 223952733 573255152 /nfs/dbraw/zinc/25/51/52/573255152.db2.gz MULRWYJVMDENOK-YFKPBYRVSA-N 0 0 167.035 2.242 10 30 AEEERN C=CCCCn1cc(C(C)=O)nc1C 308530441 573255184 /nfs/dbraw/zinc/25/51/84/573255184.db2.gz JYHLVNPZMSPZMQ-UHFFFAOYSA-N 0 0 192.262 2.360 10 30 AEEERN N#CC1(c2ccc(Cl)s2)COC1 259395550 573255865 /nfs/dbraw/zinc/25/58/65/573255865.db2.gz XBEQYCRUFUIBNY-UHFFFAOYSA-N 0 0 199.662 2.193 10 30 AEEERN CCCC(=O)O[C@H](C#N)C(C)(C)C 308328229 573255928 /nfs/dbraw/zinc/25/59/28/573255928.db2.gz HAMDJQHQQMILHB-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN CC(C)[C@H](C#N)Cc1ccncc1 259394679 573255957 /nfs/dbraw/zinc/25/59/57/573255957.db2.gz NTJDEOQKGCLNBB-NSHDSACASA-N 0 0 174.247 2.420 10 30 AEEERN C=C(Cl)CN(C[C@H](C)C#N)C1CC1 308327847 573255967 /nfs/dbraw/zinc/25/59/67/573255967.db2.gz HYCVJHMQDBFGJQ-MRVPVSSYSA-N 0 0 198.697 2.363 10 30 AEEERN C=C(C[C@@H]1CCCS1)C(=O)OC 258250810 573255986 /nfs/dbraw/zinc/25/59/86/573255986.db2.gz QNZXIBTVVYCPQD-QMMMGPOBSA-N 0 0 186.276 2.001 10 30 AEEERN C=CCNN=C1CCC[C@@H]2C[C@]12C 308327599 573256041 /nfs/dbraw/zinc/25/60/41/573256041.db2.gz HUUWJMLWHKZTBA-KOLCDFICSA-N 0 0 178.279 2.328 10 30 AEEERN C[C@]1(C#N)C[C@@H]1c1cccnc1 259056599 573256046 /nfs/dbraw/zinc/25/60/46/573256046.db2.gz WBJRWAUIIDFFQQ-NXEZZACHSA-N 0 0 158.204 2.099 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@@H]1C[C@@H]2C[C@@H]2C1 715734490 573256090 /nfs/dbraw/zinc/25/60/90/573256090.db2.gz UENMNYPAXURMKM-HGCLJGPKSA-N 0 0 194.322 2.077 10 30 AEEERN CCc1cc2oncc2cc1C#N 238319614 573256517 /nfs/dbraw/zinc/25/65/17/573256517.db2.gz GMMRXRSTOSYNBG-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C=CC[C@@H](C)[C@@H](NN)C(C)(C)CC 715734473 573256535 /nfs/dbraw/zinc/25/65/35/573256535.db2.gz ABGUIKRPBICXAA-NXEZZACHSA-N 0 0 184.327 2.467 10 30 AEEERN C[C@@]1(C#N)C[C@H]1c1cccnc1 259056600 573256567 /nfs/dbraw/zinc/25/65/67/573256567.db2.gz WBJRWAUIIDFFQQ-UWVGGRQHSA-N 0 0 158.204 2.099 10 30 AEEERN CCC1(Nc2cccnc2C#N)CC1 306599020 573256568 /nfs/dbraw/zinc/25/65/68/573256568.db2.gz QVMVZMDERPJUDH-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN O=CCc1coc(-c2cccs2)n1 258251436 573256617 /nfs/dbraw/zinc/25/66/17/573256617.db2.gz WVFWORPJNHGPIJ-UHFFFAOYSA-N 0 0 193.227 2.145 10 30 AEEERN C=C(C[C@H]1CCCS1)C(=O)OC 258250808 573256621 /nfs/dbraw/zinc/25/66/21/573256621.db2.gz QNZXIBTVVYCPQD-MRVPVSSYSA-N 0 0 186.276 2.001 10 30 AEEERN C=C(C)CC(O)(CC(=C)C)[C@@H](C)O 238421817 573256773 /nfs/dbraw/zinc/25/67/73/573256773.db2.gz OZBQHKIEAPNXDI-SNVBAGLBSA-N 0 0 184.279 2.031 10 30 AEEERN C=CCCCC[NH2+][C@@H](C)[C@H](C)C#N 308329367 573257643 /nfs/dbraw/zinc/25/76/43/573257643.db2.gz JLLLWUNFBTWRAP-MNOVXSKESA-N 0 0 180.295 2.480 10 30 AEEERN C[C@]1(C#N)C[C@H]1c1cccnc1 259056602 573257456 /nfs/dbraw/zinc/25/74/56/573257456.db2.gz WBJRWAUIIDFFQQ-VHSXEESVSA-N 0 0 158.204 2.099 10 30 AEEERN COc1cccc(C)c1CCC=O 257980826 573257480 /nfs/dbraw/zinc/25/74/80/573257480.db2.gz JOZBFRGMMOZTTR-UHFFFAOYSA-N 0 0 178.231 2.135 10 30 AEEERN C=CCCCC[NH2+][C@H](C)[C@H](C)C#N 308329365 573257501 /nfs/dbraw/zinc/25/75/01/573257501.db2.gz JLLLWUNFBTWRAP-GHMZBOCLSA-N 0 0 180.295 2.480 10 30 AEEERN Cc1cc2cc(CC#N)ccc2[nH]c1=O 259053565 573257540 /nfs/dbraw/zinc/25/75/40/573257540.db2.gz AELHXGSVBKFJKJ-UHFFFAOYSA-N 0 0 198.225 2.315 10 30 AEEERN Cc1cc([C@H](C)CC=O)cc(O)c1O 257981577 573258664 /nfs/dbraw/zinc/25/86/64/573258664.db2.gz DTIRVIYPSUJYQU-SSDOTTSWSA-N 0 0 194.230 2.099 10 30 AEEERN C=CCc1ccc(NC(C)=O)cc1 142331361 573259497 /nfs/dbraw/zinc/25/94/97/573259497.db2.gz MZCVZUZNHFPSLY-UHFFFAOYSA-N 0 0 175.231 2.374 10 30 AEEERN C#CCCOC(=O)C[C@@H](C)C(C)C 308330023 573259512 /nfs/dbraw/zinc/25/95/12/573259512.db2.gz JXCCYZSVUQITBC-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN N#CCCc1nc(C2CCC2)c[nH]1 259057387 573259528 /nfs/dbraw/zinc/25/95/28/573259528.db2.gz JIWDKFXSHCWRBC-UHFFFAOYSA-N 0 0 175.235 2.133 10 30 AEEERN CC[C@H](C#N)[C@@H](c1ccc[nH]1)N(C)C 259056758 573259539 /nfs/dbraw/zinc/25/95/39/573259539.db2.gz CIGNHUFCEAQSQH-KOLCDFICSA-N 0 0 191.278 2.167 10 30 AEEERN Cc1cc([C@@H](C)CC=O)cc(O)c1O 257981582 573259636 /nfs/dbraw/zinc/25/96/36/573259636.db2.gz DTIRVIYPSUJYQU-ZETCQYMHSA-N 0 0 194.230 2.099 10 30 AEEERN C/C(=C\C(C)(C)C)C(=O)OCC#N 308331879 573260197 /nfs/dbraw/zinc/26/01/97/573260197.db2.gz LEDXHWGRKGEWPR-BQYQJAHWSA-N 0 0 181.235 2.046 10 30 AEEERN CC[C@H](C)ON=CC[C@H]1CCOC1 308332525 573260126 /nfs/dbraw/zinc/26/01/26/573260126.db2.gz JORZIJFUEMZSOR-UWVGGRQHSA-N 0 0 185.267 2.214 10 30 AEEERN c1cc(SCCC[C@H]2CO2)ccn1 308331759 573260136 /nfs/dbraw/zinc/26/01/36/573260136.db2.gz LAKRRZUDKIQBHI-VIFPVBQESA-N 0 0 195.287 2.353 10 30 AEEERN C=C(C)c1cccc(CON)c1 257982644 573260166 /nfs/dbraw/zinc/26/01/66/573260166.db2.gz JTKXNGNCFOXXHM-UHFFFAOYSA-N 0 0 163.220 2.110 10 30 AEEERN Nc1ccc(/C=C2\CCCC2=O)cc1 308331776 573260274 /nfs/dbraw/zinc/26/02/74/573260274.db2.gz CIYMWOQEOFSMQN-CSKARUKUSA-N 0 0 187.242 2.405 10 30 AEEERN N#C[C@H]1CCCCc2nc(N)sc21 223945290 573260287 /nfs/dbraw/zinc/26/02/87/573260287.db2.gz FUYASWLIOSCLQR-ZCFIWIBFSA-N 0 0 193.275 2.059 10 30 AEEERN CSc1cc(C)c(O)cc1C#N 257982669 573260332 /nfs/dbraw/zinc/26/03/32/573260332.db2.gz JUCMVUVJFUWCGR-UHFFFAOYSA-N 0 0 179.244 2.294 10 30 AEEERN Cc1cc(-c2cnoc2C)c(C#N)[nH]1 259398882 573260370 /nfs/dbraw/zinc/26/03/70/573260370.db2.gz BHMQAEHNLIKRGE-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN Cc1cc2c(cc(C#N)n2C)s1 259398942 573260383 /nfs/dbraw/zinc/26/03/83/573260383.db2.gz GWJIJFMDVKZBOW-UHFFFAOYSA-N 0 0 176.244 2.420 10 30 AEEERN CCc1ccc(C)n2ncc(C#N)c12 259398843 573260490 /nfs/dbraw/zinc/26/04/90/573260490.db2.gz BFLZJPFWUAQUMT-UHFFFAOYSA-N 0 0 185.230 2.077 10 30 AEEERN C/C(=C/C(C)(C)C)C(=O)OCC#N 308331882 573260574 /nfs/dbraw/zinc/26/05/74/573260574.db2.gz LEDXHWGRKGEWPR-FPLPWBNLSA-N 0 0 181.235 2.046 10 30 AEEERN CCc1coc2ccnc(C#N)c12 238326092 573260637 /nfs/dbraw/zinc/26/06/37/573260637.db2.gz KIGIXBMUSZZAEK-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C[C@]12CCCC(=O)C1=CC[C@@H]2C#N 142331589 573260687 /nfs/dbraw/zinc/26/06/87/573260687.db2.gz BNRSHEIXEJOXME-LDYMZIIASA-N 0 0 175.231 2.216 10 30 AEEERN CC[C@@H](C#N)[C@H](c1ccc[nH]1)N(C)C 259056756 573260741 /nfs/dbraw/zinc/26/07/41/573260741.db2.gz CIGNHUFCEAQSQH-GXSJLCMTSA-N 0 0 191.278 2.167 10 30 AEEERN N#Cc1nccc2oc3[nH]ccc3c12 259397207 573261577 /nfs/dbraw/zinc/26/15/77/573261577.db2.gz BALROEZWDSUPCD-UHFFFAOYSA-N 0 0 183.170 2.181 10 30 AEEERN O/N=C1/CCCc2ccc(F)cc21 105366189 573261675 /nfs/dbraw/zinc/26/16/75/573261675.db2.gz WLXMXKLRJKHSLJ-BENRWUELSA-N 0 0 179.194 2.340 10 30 AEEERN Cc1cc2c(cc1C)[C@H](C#N)CNC2 259398859 573261712 /nfs/dbraw/zinc/26/17/12/573261712.db2.gz BGAFQXWYNKFROG-LLVKDONJSA-N 0 0 186.258 2.014 10 30 AEEERN C=CCC[C@]1(O)C[C@H](OC)C12CCC2 308332356 573261730 /nfs/dbraw/zinc/26/17/30/573261730.db2.gz FFUHJMZKJXXZPP-JQWIXIFHSA-N 0 0 196.290 2.273 10 30 AEEERN N#Cc1cnoc1Cc1ccccc1 259398847 573261904 /nfs/dbraw/zinc/26/19/04/573261904.db2.gz BFQUXYFDBXFMMC-UHFFFAOYSA-N 0 0 184.198 2.137 10 30 AEEERN COc1ccc(C#CCF)cc1 238339725 573261952 /nfs/dbraw/zinc/26/19/52/573261952.db2.gz RNGLKZBJZYAJCP-UHFFFAOYSA-N 0 0 164.179 2.016 10 30 AEEERN Cc1cc(C)c(CC#N)cc1C#N 257984845 573261978 /nfs/dbraw/zinc/26/19/78/573261978.db2.gz KAUNJYPGDAEABH-UHFFFAOYSA-N 0 0 170.215 2.241 10 30 AEEERN CCc1coc(CS)c1 238325905 573262014 /nfs/dbraw/zinc/26/20/14/573262014.db2.gz HHQAHMXZRDAJNI-UHFFFAOYSA-N 0 0 142.223 2.272 10 30 AEEERN SCCC1(C2CCC2)COC1 259057914 573262098 /nfs/dbraw/zinc/26/20/98/573262098.db2.gz BESNFQPQHZHVOO-UHFFFAOYSA-N 0 0 172.293 2.123 10 30 AEEERN N#CCc1cc(C#N)cc(CF)c1 116312871 573262182 /nfs/dbraw/zinc/26/21/82/573262182.db2.gz RHNOBSXYKUMQIC-UHFFFAOYSA-N 0 0 174.178 2.094 10 30 AEEERN C#CCOC1(CCCO)CCCCC1 35882069 573262245 /nfs/dbraw/zinc/26/22/45/573262245.db2.gz SMQAHGZPTJSIOH-UHFFFAOYSA-N 0 0 196.290 2.112 10 30 AEEERN C=C(C)CC(=O)c1ccc(OC)nc1 308531019 573262269 /nfs/dbraw/zinc/26/22/69/573262269.db2.gz QRNMBOZMDLPXSB-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN C(=N/c1nccs1)\c1ccc[nH]1 105415269 573262289 /nfs/dbraw/zinc/26/22/89/573262289.db2.gz IFTXGTLSJDAGTN-IZZDOVSWSA-N 0 0 177.232 2.222 10 30 AEEERN O=CC[C@H]1CSc2cccc(O)c21 258263322 573262299 /nfs/dbraw/zinc/26/22/99/573262299.db2.gz YMUVNUJRQHSVFZ-ZETCQYMHSA-N 0 0 194.255 2.171 10 30 AEEERN C#C/C=C\C(=O)c1ccccc1 142310425 573262378 /nfs/dbraw/zinc/26/23/78/573262378.db2.gz CLUPMFASBUNNCX-OQFOIZHKSA-N 0 0 156.184 2.059 10 30 AEEERN C[C@@H]1C[C@@H]1CNN=CCCC1CC1 308340769 573265614 /nfs/dbraw/zinc/26/56/14/573265614.db2.gz QSDADZAIZIIOER-MWLCHTKSSA-N 0 0 180.295 2.408 10 30 AEEERN C=C1CCCC(C)(C)[C@H]1C(=O)NC 238326703 573263214 /nfs/dbraw/zinc/26/32/14/573263214.db2.gz IYDOMKPXHOLQKJ-SECBINFHSA-N 0 0 181.279 2.115 10 30 AEEERN CCO/C=C1\CCC(C)(C)C1=O 211209623 573263217 /nfs/dbraw/zinc/26/32/17/573263217.db2.gz HLHHVTMZJKLAEM-BQYQJAHWSA-N 0 0 168.236 2.296 10 30 AEEERN C[C@]1(C#N)C[C@H]1c1ccccn1 259062930 573265756 /nfs/dbraw/zinc/26/57/56/573265756.db2.gz WWHSVDMLQOWMHZ-WCBMZHEXSA-N 0 0 158.204 2.099 10 30 AEEERN N#CCc1nc(C2CCC2)cs1 259057148 573263226 /nfs/dbraw/zinc/26/32/26/573263226.db2.gz AVMYLJLKNPJYFB-UHFFFAOYSA-N 0 0 178.260 2.477 10 30 AEEERN CC#CCCCCNCC(F)(F)F 308332151 573263229 /nfs/dbraw/zinc/26/32/29/573263229.db2.gz LHTJQMTVCMICBX-UHFFFAOYSA-N 0 0 193.212 2.332 10 30 AEEERN CC#C[C@H]1CCC[C@@H](OC)C1 238324827 573263255 /nfs/dbraw/zinc/26/32/55/573263255.db2.gz HYOXZJWXZSGAGH-VHSXEESVSA-N 0 0 152.237 2.215 10 30 AEEERN CC[C@@](C)(C#N)C(=O)C(C)C 142359590 573263391 /nfs/dbraw/zinc/26/33/91/573263391.db2.gz HVZHGGGITBQXGE-VIFPVBQESA-N 0 0 153.225 2.151 10 30 AEEERN Cc1ccc(CC2(C#N)CC2)o1 259058240 573263436 /nfs/dbraw/zinc/26/34/36/573263436.db2.gz GSTQBNOICSSMLS-UHFFFAOYSA-N 0 0 161.204 2.434 10 30 AEEERN N#CC1(c2nccc(C3CCC3)n2)CC1 259057031 573263452 /nfs/dbraw/zinc/26/34/52/573263452.db2.gz JPFTWSMFFFTGRM-UHFFFAOYSA-N 0 0 199.257 2.299 10 30 AEEERN O=C(c1ccc2ccccc2c1)[C@@H]1CO1 259061535 573263471 /nfs/dbraw/zinc/26/34/71/573263471.db2.gz DTCKDGDCMJQUCK-LBPRGKRZSA-N 0 0 198.221 2.421 10 30 AEEERN N#CCC(F)(F)c1ccncc1 259061709 573265764 /nfs/dbraw/zinc/26/57/64/573265764.db2.gz WSMFCBDMBLPGIE-UHFFFAOYSA-N 0 0 168.146 2.087 10 30 AEEERN COC1(Cc2cccc(C#N)c2)CC1 259401078 573263846 /nfs/dbraw/zinc/26/38/46/573263846.db2.gz LLLNUALOAJFWHA-UHFFFAOYSA-N 0 0 187.242 2.280 10 30 AEEERN N#CCc1cc(C(F)(F)F)ns1 259400419 573263939 /nfs/dbraw/zinc/26/39/39/573263939.db2.gz JQTCUTJVISLQRZ-UHFFFAOYSA-N 0 0 192.165 2.228 10 30 AEEERN COc1cc(F)c([C@@H]2CO2)cc1F 259398178 573264029 /nfs/dbraw/zinc/26/40/29/573264029.db2.gz SAQOIGOZFBEXCG-VIFPVBQESA-N 0 0 186.157 2.045 10 30 AEEERN C=C[C@H](C1CCCCC1)[C@@H](O)[C@@H](C)O 308531650 573264136 /nfs/dbraw/zinc/26/41/36/573264136.db2.gz CSCGWEMPIVWHDR-JLLWLGSASA-N 0 0 198.306 2.111 10 30 AEEERN COc1cc(F)c([C@H]2CO2)cc1F 259398175 573264237 /nfs/dbraw/zinc/26/42/37/573264237.db2.gz SAQOIGOZFBEXCG-SECBINFHSA-N 0 0 186.157 2.045 10 30 AEEERN C=C(C)[C@H]1C(=C)CCC[C@H]1O 142461733 573264302 /nfs/dbraw/zinc/26/43/02/573264302.db2.gz QUDZQFLTGZFKLG-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@H]1CC(=O)C1(C)C 142401297 573264402 /nfs/dbraw/zinc/26/44/02/573264402.db2.gz SXRKVQBZJCLVNA-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)(C)C1(CCS)COC1 259060716 573266606 /nfs/dbraw/zinc/26/66/06/573266606.db2.gz BJUZZLUDWBTVJC-UHFFFAOYSA-N 0 0 174.309 2.369 10 30 AEEERN C[C@@H]1C[C@H]1CNN=CCCC1CC1 308340768 573264631 /nfs/dbraw/zinc/26/46/31/573264631.db2.gz QSDADZAIZIIOER-KOLCDFICSA-N 0 0 180.295 2.408 10 30 AEEERN C[C@@]1(C#N)C[C@@H]1c1ccccn1 259062928 573264792 /nfs/dbraw/zinc/26/47/92/573264792.db2.gz WWHSVDMLQOWMHZ-SCZZXKLOSA-N 0 0 158.204 2.099 10 30 AEEERN CC[C@](C)(C#N)C(=O)C(C)C 142359812 573264894 /nfs/dbraw/zinc/26/48/94/573264894.db2.gz HVZHGGGITBQXGE-SECBINFHSA-N 0 0 153.225 2.151 10 30 AEEERN N#C[C@H]1CCCc2cc(N)ccc21 142368029 573264980 /nfs/dbraw/zinc/26/49/80/573264980.db2.gz ZKNNZCSGYTZTCU-SECBINFHSA-N 0 0 172.231 2.212 10 30 AEEERN C=CCC[C@H](O)c1ccc(OC)nc1 308533125 573264985 /nfs/dbraw/zinc/26/49/85/573264985.db2.gz REHGPEMGLXJGFQ-JTQLQIEISA-N 0 0 193.246 2.090 10 30 AEEERN CC(F)(F)[C@@H](C=O)C1CCC1 258615926 573265092 /nfs/dbraw/zinc/26/50/92/573265092.db2.gz WILMEPVPOJLLMP-ZETCQYMHSA-N 0 0 162.179 2.257 10 30 AEEERN C#CCC1(CS[C@@H](C)CO)CCC1 308335660 573265243 /nfs/dbraw/zinc/26/52/43/573265243.db2.gz NUFPASYRZPSGSX-JTQLQIEISA-N 0 0 198.331 2.294 10 30 AEEERN C[C@H]1C[C@@H]1CNN=CCCC1CC1 308340767 573265257 /nfs/dbraw/zinc/26/52/57/573265257.db2.gz QSDADZAIZIIOER-GXSJLCMTSA-N 0 0 180.295 2.408 10 30 AEEERN N#Cc1ccc(C(F)F)c2[nH]cnc12 306887942 573265368 /nfs/dbraw/zinc/26/53/68/573265368.db2.gz VGCVSPJGWTXARK-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN C#CC[C@H](CC)NC(=O)CCC(C)C 126013766 573265465 /nfs/dbraw/zinc/26/54/65/573265465.db2.gz NKTMNWRQXOXZKM-NSHDSACASA-N 0 0 195.306 2.341 10 30 AEEERN C=C(C)[C@@H]1CC(=O)C1(C)C 142401064 573265480 /nfs/dbraw/zinc/26/54/80/573265480.db2.gz SXRKVQBZJCLVNA-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN O=C[C@H]1CSc2ccccc21 86098755 573267629 /nfs/dbraw/zinc/26/76/29/573267629.db2.gz OHQQXNPUQSUDTC-ZETCQYMHSA-N 0 0 164.229 2.075 10 30 AEEERN Cc1c[nH]c(-c2cc(C#N)no2)c1C 259400834 573265603 /nfs/dbraw/zinc/26/56/03/573265603.db2.gz BMQIKGSZMKFKOK-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN CC1(C)C[C@@]1(C#N)c1cccnc1 259061980 573265607 /nfs/dbraw/zinc/26/56/07/573265607.db2.gz WVUPRCQZYBRQRU-LLVKDONJSA-N 0 0 172.231 2.273 10 30 AEEERN C=CCCCNC(=O)/C=C/C1CC1 308341588 573265664 /nfs/dbraw/zinc/26/56/64/573265664.db2.gz RGKZDLSKRNUDMZ-BQYQJAHWSA-N 0 0 179.263 2.035 10 30 AEEERN C[C@@H](CC=O)CCC[C@]1(C)CO1 238423831 573266963 /nfs/dbraw/zinc/26/69/63/573266963.db2.gz IHWAIHWNXJOERT-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C[C@H]1O[C@H]1c1cc(F)ccc1F 259062197 573265774 /nfs/dbraw/zinc/26/57/74/573265774.db2.gz ADBKRGVNQUZHLE-MLUIRONXSA-N 0 0 170.158 2.425 10 30 AEEERN CCc1nc(=S)[nH]c(CC)c1C#N 238328178 573265905 /nfs/dbraw/zinc/26/59/05/573265905.db2.gz ITGAZQZUNXOLNY-UHFFFAOYSA-N 0 0 193.275 2.136 10 30 AEEERN Oc1cccc2[nH]c(CS)cc12 257985663 573265950 /nfs/dbraw/zinc/26/59/50/573265950.db2.gz JWPFNWRQZMTRLS-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN COC(C)=Nc1nc2ccccc2[nH]1 308341733 573266009 /nfs/dbraw/zinc/26/60/09/573266009.db2.gz JLCNXEURECSRNH-UHFFFAOYSA-N 0 0 189.218 2.259 10 30 AEEERN Cc1cc(CC#N)c2c(c1C)OCO2 257986919 573266076 /nfs/dbraw/zinc/26/60/76/573266076.db2.gz FCQCCKVIQRTWIC-UHFFFAOYSA-N 0 0 189.214 2.098 10 30 AEEERN C[C@@]1(C#N)C[C@H]1c1ccccn1 259062932 573266106 /nfs/dbraw/zinc/26/61/06/573266106.db2.gz WWHSVDMLQOWMHZ-WPRPVWTQSA-N 0 0 158.204 2.099 10 30 AEEERN O=CCc1coc2c(F)cccc12 258268279 573266147 /nfs/dbraw/zinc/26/61/47/573266147.db2.gz SJCPPDANCVGRCU-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN COc1ccc(C[C@@H](C)CC=O)cc1 77978579 573266203 /nfs/dbraw/zinc/26/62/03/573266203.db2.gz RWSXJJXXMPZDCZ-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN C[C@]1(C#N)C[C@@H]1c1ccccn1 259062926 573266241 /nfs/dbraw/zinc/26/62/41/573266241.db2.gz WWHSVDMLQOWMHZ-PSASIEDQSA-N 0 0 158.204 2.099 10 30 AEEERN N#Cc1cc(C2CCCC2)ncc1O 258614598 573266421 /nfs/dbraw/zinc/26/64/21/573266421.db2.gz ONOXBOQBEHQAEA-UHFFFAOYSA-N 0 0 188.230 2.316 10 30 AEEERN CC(F)(F)[C@H](C=O)C1CCC1 258615923 573266483 /nfs/dbraw/zinc/26/64/83/573266483.db2.gz WILMEPVPOJLLMP-SSDOTTSWSA-N 0 0 162.179 2.257 10 30 AEEERN Cc1oc(Cc2ccco2)nc1C#N 259400612 573266516 /nfs/dbraw/zinc/26/65/16/573266516.db2.gz BJKQBJXWUFMWHD-UHFFFAOYSA-N 0 0 188.186 2.039 10 30 AEEERN FC(F)(F)CCOCCCS 126007818 573266519 /nfs/dbraw/zinc/26/65/19/573266519.db2.gz TZZARAKOANCBBK-UHFFFAOYSA-N 0 0 188.214 2.275 10 30 AEEERN COC[C@@H]1CC(C)=C(C)C[C@@H]1C=O 238329896 573268880 /nfs/dbraw/zinc/26/88/80/573268880.db2.gz YQPXBCGRHRCANR-MNOVXSKESA-N 0 0 182.263 2.194 10 30 AEEERN C(=NNCc1ccccc1)C1CC1 308340796 573266826 /nfs/dbraw/zinc/26/68/26/573266826.db2.gz QTUBBLBBXVPIBQ-UHFFFAOYSA-N 0 0 174.247 2.172 10 30 AEEERN N#Cc1ccc2[nH]cnc2c1C(F)F 306883845 573266866 /nfs/dbraw/zinc/26/68/66/573266866.db2.gz PLZYYHMOQAJNGH-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN COC(C)(C)C#C[Si](C)(C)C 238327111 573266870 /nfs/dbraw/zinc/26/68/70/573266870.db2.gz VZXOYYZVAVTDPS-UHFFFAOYSA-N 0 0 170.328 2.292 10 30 AEEERN C=CCCCNC(=O)/C=C\C1CC1 308341589 573266995 /nfs/dbraw/zinc/26/69/95/573266995.db2.gz RGKZDLSKRNUDMZ-FPLPWBNLSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCC1(C(=O)NC2CC2)CC1 308340781 573267065 /nfs/dbraw/zinc/26/70/65/573267065.db2.gz QSSNEETWNMXCAB-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN N#C[C@@H]1CCCc2cc(N)ccc21 142367816 573267126 /nfs/dbraw/zinc/26/71/26/573267126.db2.gz ZKNNZCSGYTZTCU-VIFPVBQESA-N 0 0 172.231 2.212 10 30 AEEERN COc1ccc(C[C@H](C)CC=O)cc1 77978582 573267281 /nfs/dbraw/zinc/26/72/81/573267281.db2.gz RWSXJJXXMPZDCZ-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN N#Cc1ccccc1N1CC=CCC1 166066802 573267545 /nfs/dbraw/zinc/26/75/45/573267545.db2.gz PRELDLHWJKTLPH-UHFFFAOYSA-N 0 0 184.242 2.325 10 30 AEEERN N#CCOc1c(C#N)oc2ccccc12 126008967 573267670 /nfs/dbraw/zinc/26/76/70/573267670.db2.gz MHSDIMJGETVNFC-UHFFFAOYSA-N 0 0 198.181 2.207 10 30 AEEERN C[C@H]1O[C@@H]1c1cc(F)ccc1F 259062193 573267798 /nfs/dbraw/zinc/26/77/98/573267798.db2.gz ADBKRGVNQUZHLE-ANLVUFKYSA-N 0 0 170.158 2.425 10 30 AEEERN C=C1C(=O)C=C(O)C1c1ccccc1 142402388 573267866 /nfs/dbraw/zinc/26/78/66/573267866.db2.gz MXDYBLLMDIQKTR-UHFFFAOYSA-N 0 0 186.210 2.002 10 30 AEEERN Cc1c(C#N)n[nH]c1CC(C)(C)C 259400526 573267912 /nfs/dbraw/zinc/26/79/12/573267912.db2.gz JUXJOIJRLKPSFN-UHFFFAOYSA-N 0 0 177.251 2.178 10 30 AEEERN CCc1nc2scc(C)n2c1C#N 259400530 573267937 /nfs/dbraw/zinc/26/79/37/573267937.db2.gz JVAAFEOUSFPXJR-UHFFFAOYSA-N 0 0 191.259 2.138 10 30 AEEERN O=C[C@@H]1CSc2ccccc21 86098751 573268020 /nfs/dbraw/zinc/26/80/20/573268020.db2.gz OHQQXNPUQSUDTC-SSDOTTSWSA-N 0 0 164.229 2.075 10 30 AEEERN COCc1ccc(SC)cc1C#N 238327417 573268110 /nfs/dbraw/zinc/26/81/10/573268110.db2.gz SFUGPDWUYVECEB-UHFFFAOYSA-N 0 0 193.271 2.427 10 30 AEEERN N#Cc1cc(C#N)c2cc(N)sc2c1 306887986 573268179 /nfs/dbraw/zinc/26/81/79/573268179.db2.gz RIMIOJRKZWFYRR-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN COCc1ccc(SC)c(C#N)c1 238327195 573268261 /nfs/dbraw/zinc/26/82/61/573268261.db2.gz VCHHARYEHCRKST-UHFFFAOYSA-N 0 0 193.271 2.427 10 30 AEEERN C=CCC[C@@H](O)c1ccc(OC)nc1 308533127 573268328 /nfs/dbraw/zinc/26/83/28/573268328.db2.gz REHGPEMGLXJGFQ-SNVBAGLBSA-N 0 0 193.246 2.090 10 30 AEEERN C=CCOc1c(C)cccc1N 116323804 573268341 /nfs/dbraw/zinc/26/83/41/573268341.db2.gz ZYNHVSZKJOWXFR-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C[C@@H]1O[C@H]1c1cc(F)ccc1F 259062199 573269189 /nfs/dbraw/zinc/26/91/89/573269189.db2.gz ADBKRGVNQUZHLE-SSDLBLMSSA-N 0 0 170.158 2.425 10 30 AEEERN CC[C@H](C#N)CNc1ccncc1 259063746 573268474 /nfs/dbraw/zinc/26/84/74/573268474.db2.gz TUAHIUNURKXXRY-SECBINFHSA-N 0 0 175.235 2.043 10 30 AEEERN CC(C)=CCC[C@](C)(O)[C@@H]1C[C@H]1C=O 308338507 573269161 /nfs/dbraw/zinc/26/91/61/573269161.db2.gz UQQPQRXVLAXMEC-TUAOUCFPSA-N 0 0 196.290 2.319 10 30 AEEERN N#CCCC(F)(F)c1ccncc1 259060218 573268766 /nfs/dbraw/zinc/26/87/66/573268766.db2.gz WOOOFUZWJAGIHF-UHFFFAOYSA-N 0 0 182.173 2.477 10 30 AEEERN CN(C)N=Cc1cc2ccccc2[nH]1 308338805 573268775 /nfs/dbraw/zinc/26/87/75/573268775.db2.gz VWINJKQLZYHKFC-UHFFFAOYSA-N 0 0 187.246 2.063 10 30 AEEERN C=C1CCC([C@@H](C)CO)CC1 142475775 573268954 /nfs/dbraw/zinc/26/89/54/573268954.db2.gz HXSUWRNHJVTUAL-VIFPVBQESA-N 0 0 154.253 2.361 10 30 AEEERN C#C[C@H](O)/C(C)=C/C1=CCCC1 142422019 573269004 /nfs/dbraw/zinc/26/90/04/573269004.db2.gz PPJAFFONDADRRZ-FBOQAHMBSA-N 0 0 162.232 2.037 10 30 AEEERN CSc1ccc2[nH]cnc2c1C#N 306887860 573269335 /nfs/dbraw/zinc/26/93/35/573269335.db2.gz VBQNOITYLVOQBU-UHFFFAOYSA-N 0 0 189.243 2.156 10 30 AEEERN N#CCSc1ccc2ncoc2c1 259060927 573269436 /nfs/dbraw/zinc/26/94/36/573269436.db2.gz MOQKLYCBXUWPRN-UHFFFAOYSA-N 0 0 190.227 2.443 10 30 AEEERN C=C/C(C)=C/C(=O)C(C)C 218004705 573269440 /nfs/dbraw/zinc/26/94/40/573269440.db2.gz VSJKOPVRNKXFQI-SOFGYWHQSA-N 0 0 138.210 2.344 10 30 AEEERN C=C1C[C@@H]2[C@H](C[C@H]1CO)C2(C)C 142473283 573269535 /nfs/dbraw/zinc/26/95/35/573269535.db2.gz ANFVVVXUWXWLKD-AEJSXWLSSA-N 0 0 166.264 2.217 10 30 AEEERN Cc1cc2ccc(CC=O)cc2n1C 258273622 573269559 /nfs/dbraw/zinc/26/95/59/573269559.db2.gz ZCJOIUJLDHQCKZ-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN CCOC(=O)CCC/C=C\CCC=O 308338733 573269564 /nfs/dbraw/zinc/26/95/64/573269564.db2.gz VTUFGPIOWIDJEF-ARJAWSKDSA-N 0 0 198.262 2.255 10 30 AEEERN CC(C)c1ncn2c1CC[C@@H]2C#N 259605539 573269617 /nfs/dbraw/zinc/26/96/17/573269617.db2.gz GSHDXGBGJZOMQI-MRVPVSSYSA-N 0 0 175.235 2.017 10 30 AEEERN CC[C@@H](C#N)CNc1ccncc1 259063747 573269663 /nfs/dbraw/zinc/26/96/63/573269663.db2.gz TUAHIUNURKXXRY-VIFPVBQESA-N 0 0 175.235 2.043 10 30 AEEERN CC1(C)C[C@]1(C#N)c1cccnc1 259061982 573269678 /nfs/dbraw/zinc/26/96/78/573269678.db2.gz WVUPRCQZYBRQRU-NSHDSACASA-N 0 0 172.231 2.273 10 30 AEEERN C#C[C@@H](O)/C(C)=C/C1=CCCC1 142422391 573269688 /nfs/dbraw/zinc/26/96/88/573269688.db2.gz PPJAFFONDADRRZ-ANYFNZRUSA-N 0 0 162.232 2.037 10 30 AEEERN C#CC[C@@H](CC)NC(=O)C(C)(C)CC 126031723 573269904 /nfs/dbraw/zinc/26/99/04/573269904.db2.gz UOPNWFHSIJWGFQ-SNVBAGLBSA-N 0 0 195.306 2.341 10 30 AEEERN C=CC[C@H](C)[C@H](NN)c1ccsc1 715753467 573269915 /nfs/dbraw/zinc/26/99/15/573269915.db2.gz CRGCXNDOMQMNQC-WPRPVWTQSA-N 0 0 196.319 2.465 10 30 AEEERN COc1cc(C#N)ccc1CF 238329762 573269957 /nfs/dbraw/zinc/26/99/57/573269957.db2.gz DORUNQULMUYWOT-UHFFFAOYSA-N 0 0 165.167 2.036 10 30 AEEERN N#CCc1nc2ccc(C#N)cc2s1 74236092 573270023 /nfs/dbraw/zinc/27/00/23/573270023.db2.gz DGOFJJFBQYIOFQ-UHFFFAOYSA-N 0 0 199.238 2.234 10 30 AEEERN C#CC[C@@H](CC)NC(=O)[C@H](C)C(C)C 126030572 573270566 /nfs/dbraw/zinc/27/05/66/573270566.db2.gz XKASRIDOOOIQQC-GHMZBOCLSA-N 0 0 195.306 2.197 10 30 AEEERN C[C@]1(CN=NCC2CC2)CCCS1 308339364 573272594 /nfs/dbraw/zinc/27/25/94/573272594.db2.gz QANXOCJOXKAZSX-SNVBAGLBSA-N 0 0 198.335 2.258 10 30 AEEERN C=C[C@@H](C)C(=O)Nc1ccccc1 142434734 573272764 /nfs/dbraw/zinc/27/27/64/573272764.db2.gz WCHXCHUYHPVPQK-SECBINFHSA-N 0 0 175.231 2.447 10 30 AEEERN CC#CC[C@@H](NN)C1(CC)CCCC1 129390797 573275351 /nfs/dbraw/zinc/27/53/51/573275351.db2.gz ZAFPZHBHIDHHEO-LLVKDONJSA-N 0 0 194.322 2.202 10 30 AEEERN Cn1cncc1C(=O)C1=CCCCC1 236100131 573275403 /nfs/dbraw/zinc/27/54/03/573275403.db2.gz WKPBJVRPKQIVLP-UHFFFAOYSA-N 0 0 190.246 2.103 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H]1CCCCO1 715755637 573275206 /nfs/dbraw/zinc/27/52/06/573275206.db2.gz HLINQABPXVNBNY-VHSXEESVSA-N 0 0 182.263 2.337 10 30 AEEERN CC#CC[C@H](CCC1CCCC1)NN 129390161 573275288 /nfs/dbraw/zinc/27/52/88/573275288.db2.gz BLCFZANBDGTYKE-GFCCVEGCSA-N 0 0 194.322 2.202 10 30 AEEERN COC(C)(C)[C@@H]1CCC[C@@H]1C=O 238330301 573275528 /nfs/dbraw/zinc/27/55/28/573275528.db2.gz XDKPPSMCVYHCKU-RKDXNWHRSA-N 0 0 170.252 2.027 10 30 AEEERN COC(C)(C)[C@H]1CCC[C@H]1C=O 238330869 573275600 /nfs/dbraw/zinc/27/56/00/573275600.db2.gz XDKPPSMCVYHCKU-IUCAKERBSA-N 0 0 170.252 2.027 10 30 AEEERN C=C1CC[C@H](C(C)(C)OC)C[C@H]1O 238330818 573275664 /nfs/dbraw/zinc/27/56/64/573275664.db2.gz PSVIKYYHYJUAJU-VHSXEESVSA-N 0 0 184.279 2.129 10 30 AEEERN CCSCC=NOC/C=C\Cl 393513911 573275667 /nfs/dbraw/zinc/27/56/67/573275667.db2.gz KFUBWAQSXBNKBD-XDMLVNEMSA-N 0 0 193.699 2.494 10 30 AEEERN CC(C)Cc1csc(CC=O)n1 259399944 573277192 /nfs/dbraw/zinc/27/71/92/573277192.db2.gz VNDZEXKLFDDPBJ-UHFFFAOYSA-N 0 0 183.276 2.083 10 30 AEEERN CC[C@]1(Cc2ccccc2)CO1 116394806 573277129 /nfs/dbraw/zinc/27/71/29/573277129.db2.gz CKWYDJCMBNNHBI-NSHDSACASA-N 0 0 162.232 2.408 10 30 AEEERN COc1ccc([C@@H]2O[C@H]2C)cc1C 258618128 573278125 /nfs/dbraw/zinc/27/81/25/573278125.db2.gz BECIWLPHRNXWNE-GZMMTYOYSA-N 0 0 178.231 2.463 10 30 AEEERN CC(C)(O)c1cc(C#N)c(F)cc1F 257991310 573278136 /nfs/dbraw/zinc/27/81/36/573278136.db2.gz FNXJGDKWBCBOCK-UHFFFAOYSA-N 0 0 197.184 2.064 10 30 AEEERN COc1ccc([C@H]2O[C@@H]2C)cc1C 258618131 573278371 /nfs/dbraw/zinc/27/83/71/573278371.db2.gz BECIWLPHRNXWNE-KCJUWKMLSA-N 0 0 178.231 2.463 10 30 AEEERN O=CC[C@@H]1Cc2c(Cl)cccc2O1 258276458 573278426 /nfs/dbraw/zinc/27/84/26/573278426.db2.gz SVYGUXHRWUOBOA-SSDOTTSWSA-N 0 0 196.633 2.233 10 30 AEEERN CC#CC[C@H](NN)C1(CC)CCCC1 129391045 573278582 /nfs/dbraw/zinc/27/85/82/573278582.db2.gz ZAFPZHBHIDHHEO-NSHDSACASA-N 0 0 194.322 2.202 10 30 AEEERN C=CC(F)(F)[C@@H](N)c1ccc(C)o1 142497791 573279042 /nfs/dbraw/zinc/27/90/42/573279042.db2.gz IQXCJZLRFYGZFN-QMMMGPOBSA-N 0 0 187.189 2.409 10 30 AEEERN CCCCCCC[C@](C)(O)C=O 116402388 573279771 /nfs/dbraw/zinc/27/97/71/573279771.db2.gz RYHKSMCAEQJUCW-JTQLQIEISA-N 0 0 172.268 2.297 10 30 AEEERN CSc1c(O)cccc1CCC=O 258201049 573280027 /nfs/dbraw/zinc/28/00/27/573280027.db2.gz YIPRYFYWMADZJU-UHFFFAOYSA-N 0 0 196.271 2.246 10 30 AEEERN CC[C@H](C#N)Cc1ccccn1 259399517 573280126 /nfs/dbraw/zinc/28/01/26/573280126.db2.gz OBQAXUWVHIKOKO-VIFPVBQESA-N 0 0 160.220 2.174 10 30 AEEERN CC/C(Cc1ccccc1)=N/O 105825426 573280204 /nfs/dbraw/zinc/28/02/04/573280204.db2.gz UBQQQMMMFFWYGN-KHPPLWFESA-N 0 0 163.220 2.469 10 30 AEEERN CC[C@H](C#N)CNCc1cccs1 259065478 573280309 /nfs/dbraw/zinc/28/03/09/573280309.db2.gz TXOYDRRHPKPYFH-SECBINFHSA-N 0 0 194.303 2.387 10 30 AEEERN CNc1nc(C(C)C)c(C#N)s1 259065979 573280319 /nfs/dbraw/zinc/28/03/19/573280319.db2.gz BVUFOZACLGTRGQ-UHFFFAOYSA-N 0 0 181.264 2.180 10 30 AEEERN COC[C@@H]1C[C@H](C)[C@@H](C)C[C@@H]1C=O 238332758 573280448 /nfs/dbraw/zinc/28/04/48/573280448.db2.gz DABINKYHVDROHS-MMWGEVLESA-N 0 0 184.279 2.130 10 30 AEEERN CN(CCC(C)(C)C)C(=O)CCC#N 258618778 573281415 /nfs/dbraw/zinc/28/14/15/573281415.db2.gz BWUOPSVQAUIEPJ-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN Cc1cc(C)c(C(=O)[C@@H]2CO2)cc1C 259401360 573282219 /nfs/dbraw/zinc/28/22/19/573282219.db2.gz YTOUBLYDKTULOX-NSHDSACASA-N 0 0 190.242 2.193 10 30 AEEERN CO/C=C/C#C[C@@H](O)C1CCCCC1 238332579 573282457 /nfs/dbraw/zinc/28/24/57/573282457.db2.gz HQODDDXWRFOZDL-GCZGVDRJSA-N 0 0 194.274 2.091 10 30 AEEERN C#CC[C@H](CC)NC(=O)CCCCC 126045779 573282507 /nfs/dbraw/zinc/28/25/07/573282507.db2.gz XNOSRKLIPWZTJB-NSHDSACASA-N 0 0 195.306 2.485 10 30 AEEERN N#Cc1scnc1-c1ccccn1 259065962 573282705 /nfs/dbraw/zinc/28/27/05/573282705.db2.gz BVNBZUJCFCSFMJ-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1cccc(-c2cc(C#N)nn2C)c1 259065306 573282772 /nfs/dbraw/zinc/28/27/72/573282772.db2.gz AHAAYAMJKQVSCX-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN C=CC(=O)c1cnc(Cl)c(OC)c1 238331791 573283131 /nfs/dbraw/zinc/28/31/31/573283131.db2.gz ILPYSDNKERUKDI-UHFFFAOYSA-N 0 0 197.621 2.112 10 30 AEEERN CCc1nc(C2(C#N)CC2)cs1 259402333 573283247 /nfs/dbraw/zinc/28/32/47/573283247.db2.gz TYVUTDQPQCTBDL-UHFFFAOYSA-N 0 0 178.260 2.261 10 30 AEEERN CNn1c(N=[N+]=[N-])nc2ccccc21 238331572 573283256 /nfs/dbraw/zinc/28/32/56/573283256.db2.gz KMXAZXSYOUHJIR-UHFFFAOYSA-N 0 0 188.194 2.151 10 30 AEEERN C#CC[C@H](CC)NC(=O)C1CCCC1 126046261 573283376 /nfs/dbraw/zinc/28/33/76/573283376.db2.gz CAGWSQCSXGWMHO-NSHDSACASA-N 0 0 193.290 2.095 10 30 AEEERN CCC[C@@H](C)COC(C)(C)C=O 387545334 573283404 /nfs/dbraw/zinc/28/34/04/573283404.db2.gz QLPCNQKVGYFIOH-SECBINFHSA-N 0 0 172.268 2.417 10 30 AEEERN CCC1([C@@H](C#N)NCC2CC2)CCC1 686132759 573284341 /nfs/dbraw/zinc/28/43/41/573284341.db2.gz FVLRGEYZSCPOEP-LLVKDONJSA-N 0 0 192.306 2.458 10 30 AEEERN N#C[C@H](c1cc[nH]c1)C1CCC1 259066767 573284129 /nfs/dbraw/zinc/28/41/29/573284129.db2.gz HHACMCNJLZTZBI-JTQLQIEISA-N 0 0 160.220 2.422 10 30 AEEERN C#CCCCCNc1ccncc1C#N 308855005 573284207 /nfs/dbraw/zinc/28/42/07/573284207.db2.gz SPXHNGMUXBBXBY-UHFFFAOYSA-N 0 0 199.257 2.169 10 30 AEEERN C#CC[C@H](CC)NC(=O)CC(C)(C)C 126053681 573284317 /nfs/dbraw/zinc/28/43/17/573284317.db2.gz SMRGQUBCKOWNOY-JTQLQIEISA-N 0 0 195.306 2.341 10 30 AEEERN Cn1cnc(C(=O)C2=CCCCC2)c1 236090005 573284335 /nfs/dbraw/zinc/28/43/35/573284335.db2.gz FQBYMTDNLHMNBG-UHFFFAOYSA-N 0 0 190.246 2.103 10 30 AEEERN CSc1cc(CCS)ccc1N 259069636 573285008 /nfs/dbraw/zinc/28/50/08/573285008.db2.gz BPWIDJJVIPKXSJ-UHFFFAOYSA-N 0 0 199.344 2.463 10 30 AEEERN N#Cc1scnc1-c1ccncc1 259068379 573286038 /nfs/dbraw/zinc/28/60/38/573286038.db2.gz BXHGIQBNRZMFPK-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN C=C(CC=O)C[C@@H]1CCCCO1 258281781 573285727 /nfs/dbraw/zinc/28/57/27/573285727.db2.gz SQFLLGLBFXCAAS-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CC[C@H](C)Sc1cc(C#N)ncn1 306408819 573285763 /nfs/dbraw/zinc/28/57/63/573285763.db2.gz YQQYWRZQKRUOBW-ZETCQYMHSA-N 0 0 193.275 2.239 10 30 AEEERN C=C(CC(=O)OC)C[C@H]1CCCCO1 258281805 573285910 /nfs/dbraw/zinc/28/59/10/573285910.db2.gz SQULDQDPGZKUHN-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN C[C@@H](S)c1ccc2[nH]c(=O)oc2c1 259403646 573285993 /nfs/dbraw/zinc/28/59/93/573285993.db2.gz XOHMWXIAVXEIAN-RXMQYKEDSA-N 0 0 195.243 2.112 10 30 AEEERN Cc1cccc([C@@](C)(C#N)CCO)c1 259405104 573286612 /nfs/dbraw/zinc/28/66/12/573286612.db2.gz CDMMJAFWLDPNLT-GFCCVEGCSA-N 0 0 189.258 2.159 10 30 AEEERN CC#CC[C@H](C[C@@H](C)C(C)(C)C)NN 129442568 573286617 /nfs/dbraw/zinc/28/66/17/573286617.db2.gz BFEAMNIWTXCLHI-GHMZBOCLSA-N 0 0 196.338 2.304 10 30 AEEERN CCC[C@H](C)COC(C)(C)C=O 387545335 573286650 /nfs/dbraw/zinc/28/66/50/573286650.db2.gz QLPCNQKVGYFIOH-VIFPVBQESA-N 0 0 172.268 2.417 10 30 AEEERN O[C@H](CS)c1ccc(Cl)s1 258280495 573286661 /nfs/dbraw/zinc/28/66/61/573286661.db2.gz VEVRPVPNZQXIHT-SCSAIBSYSA-N 0 0 194.708 2.365 10 30 AEEERN C[C@@H](CC=O)CCc1ccoc1 238442104 573286677 /nfs/dbraw/zinc/28/66/77/573286677.db2.gz PXYHFBYMRZIMOB-SECBINFHSA-N 0 0 166.220 2.437 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H]1CO[C@@H](C)C1 715757932 573286810 /nfs/dbraw/zinc/28/68/10/573286810.db2.gz BWSBGHOLFPQWMW-LPEHRKFASA-N 0 0 182.263 2.193 10 30 AEEERN CC#CC[C@@H](C[C@H](C)C(C)(C)C)NN 129442767 573286920 /nfs/dbraw/zinc/28/69/20/573286920.db2.gz BFEAMNIWTXCLHI-QWRGUYRKSA-N 0 0 196.338 2.304 10 30 AEEERN CC#CC[C@@H](C[C@@H](C)C(C)(C)C)NN 129442365 573287294 /nfs/dbraw/zinc/28/72/94/573287294.db2.gz BFEAMNIWTXCLHI-MNOVXSKESA-N 0 0 196.338 2.304 10 30 AEEERN C=CC[C@H](C)[C@H](NN)c1occc1C 715756564 573286961 /nfs/dbraw/zinc/28/69/61/573286961.db2.gz JYINIDLMYZMRBS-WPRPVWTQSA-N 0 0 194.278 2.305 10 30 AEEERN Cc1nc(C(C)(C)C#N)cs1 259402377 573287031 /nfs/dbraw/zinc/28/70/31/573287031.db2.gz UAKNEPSQEFTADP-UHFFFAOYSA-N 0 0 166.249 2.253 10 30 AEEERN CC#CC[C@@H](CCCCCC)NN 129436255 573287042 /nfs/dbraw/zinc/28/70/42/573287042.db2.gz BQOJHFNCRYIZDJ-NSHDSACASA-N 0 0 182.311 2.202 10 30 AEEERN COc1cc(C(C)C)c(O)cc1C#N 238334966 573287388 /nfs/dbraw/zinc/28/73/88/573287388.db2.gz VZYVSGWWIHONEZ-UHFFFAOYSA-N 0 0 191.230 2.396 10 30 AEEERN CCc1ccccc1[C@H](F)C=O 258620090 573287492 /nfs/dbraw/zinc/28/74/92/573287492.db2.gz WPGWHPRBBLYBEO-SNVBAGLBSA-N 0 0 166.195 2.459 10 30 AEEERN CC#CCCC(=O)C(C)(C)OCC 132283331 573287554 /nfs/dbraw/zinc/28/75/54/573287554.db2.gz YSOJKTZLIAPGSM-UHFFFAOYSA-N 0 0 182.263 2.174 10 30 AEEERN C=C(CC=O)c1ccc(C)o1 258279877 573287636 /nfs/dbraw/zinc/28/76/36/573287636.db2.gz SKJKUJXCXHVWRQ-UHFFFAOYSA-N 0 0 150.177 2.190 10 30 AEEERN N#CC(F)(F)c1ccc2ncoc2c1 259067762 573287744 /nfs/dbraw/zinc/28/77/44/573287744.db2.gz XRXYHXXSELETBD-UHFFFAOYSA-N 0 0 194.140 2.443 10 30 AEEERN C[C@@H](CC=O)c1cccc(F)c1O 257994139 573287856 /nfs/dbraw/zinc/28/78/56/573287856.db2.gz FXQVGLJOCDPSGZ-ZETCQYMHSA-N 0 0 182.194 2.224 10 30 AEEERN CC#CC[C@H](C[C@H](C)C(C)(C)C)NN 129443003 573287937 /nfs/dbraw/zinc/28/79/37/573287937.db2.gz BFEAMNIWTXCLHI-WDEREUQCSA-N 0 0 196.338 2.304 10 30 AEEERN CC[C@H](C#N)N[C@H](CC)CSC 217330468 573288528 /nfs/dbraw/zinc/28/85/28/573288528.db2.gz FFETZTXKRNMTHX-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN Cn1cc(CC=O)c2ccc(F)cc21 258279470 573288672 /nfs/dbraw/zinc/28/86/72/573288672.db2.gz TTXJGTOBCVHUTM-UHFFFAOYSA-N 0 0 191.205 2.059 10 30 AEEERN N#Cc1csnc1-c1cncs1 74247856 573288687 /nfs/dbraw/zinc/28/86/87/573288687.db2.gz IBXVWGVZPPLNGM-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN C=C(CC=O)Cc1ccc(O)cc1 258280059 573288781 /nfs/dbraw/zinc/28/87/81/573288781.db2.gz SNTVPKPSHSHDEV-UHFFFAOYSA-N 0 0 176.215 2.080 10 30 AEEERN Cn1ccc(C(=O)C2=CCCCC2)n1 236104751 573288831 /nfs/dbraw/zinc/28/88/31/573288831.db2.gz CINZPTFDJFGJOL-UHFFFAOYSA-N 0 0 190.246 2.103 10 30 AEEERN CCCc1c[nH]c(C(C)(C)C#N)n1 259068250 573288832 /nfs/dbraw/zinc/28/88/32/573288832.db2.gz KNTNROJKVNPXSN-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN N#C[C@H](C(F)F)C1CCC1 258490404 573288892 /nfs/dbraw/zinc/28/88/92/573288892.db2.gz KCUZIZZEKJVVLX-LURJTMIESA-N 0 0 145.152 2.191 10 30 AEEERN C#CC[C@H](CC)NC(=O)C(CC)CC 126054168 573289022 /nfs/dbraw/zinc/28/90/22/573289022.db2.gz CSWZKNXCSGGRRK-NSHDSACASA-N 0 0 195.306 2.341 10 30 AEEERN COc1c(O)cc(CC#N)c(C)c1C 257994052 573289589 /nfs/dbraw/zinc/28/95/89/573289589.db2.gz FVBLWSSTLMPGNI-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN CC#CC[C@H](CCCCCC)NN 129436051 573289183 /nfs/dbraw/zinc/28/91/83/573289183.db2.gz BQOJHFNCRYIZDJ-LLVKDONJSA-N 0 0 182.311 2.202 10 30 AEEERN C=C[C@@H](C)[C@H](O)Cc1cccs1 238437536 573289205 /nfs/dbraw/zinc/28/92/05/573289205.db2.gz LQWAYWKPQVLWLL-PSASIEDQSA-N 0 0 182.288 2.474 10 30 AEEERN C=CC[C@H](C)[C@@H](NN)c1occc1C 715756563 573289292 /nfs/dbraw/zinc/28/92/92/573289292.db2.gz JYINIDLMYZMRBS-WCBMZHEXSA-N 0 0 194.278 2.305 10 30 AEEERN C=CCCOC(=O)[C@@H]1CC12CCC2 393581222 573289434 /nfs/dbraw/zinc/28/94/34/573289434.db2.gz IBINZDQQQCQICK-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN Cc1cccc([C@](C)(C#N)CCO)c1 259405108 573290429 /nfs/dbraw/zinc/29/04/29/573290429.db2.gz CDMMJAFWLDPNLT-LBPRGKRZSA-N 0 0 189.258 2.159 10 30 AEEERN N[C@@H](S)c1cc(Cl)ccc1F 259404909 573291399 /nfs/dbraw/zinc/29/13/99/573291399.db2.gz LYEAQGGMAJIXOF-ZETCQYMHSA-N 0 0 191.658 2.366 10 30 AEEERN C[C@H](CC=O)c1cccc(F)c1O 257994138 573291417 /nfs/dbraw/zinc/29/14/17/573291417.db2.gz FXQVGLJOCDPSGZ-SSDOTTSWSA-N 0 0 182.194 2.224 10 30 AEEERN N#Cc1cc2ccsc2c(N)c1F 306898817 573291104 /nfs/dbraw/zinc/29/11/04/573291104.db2.gz YFCSFEMSIOFSOJ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#Cc1cc2sccc2c(C#N)c1N 306891300 573291159 /nfs/dbraw/zinc/29/11/59/573291159.db2.gz HFQLWNHMFCYPDH-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN N#Cc1csc2ccc(N)c(C#N)c12 306891746 573291241 /nfs/dbraw/zinc/29/12/41/573291241.db2.gz XACOOHJFTWQCBJ-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C[C@@H](Nc1ccncc1C#N)C(F)F 306897744 573291323 /nfs/dbraw/zinc/29/13/23/573291323.db2.gz UVWZVMLXMSKPGP-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN CC[C@@H](C#N)N[C@@H](CC)CSC 217330461 573292115 /nfs/dbraw/zinc/29/21/15/573292115.db2.gz FFETZTXKRNMTHX-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN N#CC(F)(F)c1ccc2[nH]cnc2c1 259072479 573292142 /nfs/dbraw/zinc/29/21/42/573292142.db2.gz YHUPOIMIQLEMCF-UHFFFAOYSA-N 0 0 193.156 2.178 10 30 AEEERN N#Cc1cc(F)c(N)c2ccsc12 306892403 573292155 /nfs/dbraw/zinc/29/21/55/573292155.db2.gz IPDNSIGXBAIFFP-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CCOc1ccc2oc(C#N)nc2c1 306896490 573292219 /nfs/dbraw/zinc/29/22/19/573292219.db2.gz PYZOIYQAJLWPJC-UHFFFAOYSA-N 0 0 188.186 2.098 10 30 AEEERN N#Cc1c(O)c(O)cc2ccsc12 306895369 573292248 /nfs/dbraw/zinc/29/22/48/573292248.db2.gz MPOCDHSVLDHGKF-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN CC[C@@H](CSC)N[C@@H](C#N)CC 217330463 573292499 /nfs/dbraw/zinc/29/24/99/573292499.db2.gz FFETZTXKRNMTHX-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN COCc1ccc(C)cc1C#N 238325624 573292757 /nfs/dbraw/zinc/29/27/57/573292757.db2.gz CJHOYHRYAUOBBP-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN CC[C@@H]1CNc2cccc(C#N)c2O1 84768163 573293028 /nfs/dbraw/zinc/29/30/28/573293028.db2.gz RODJAOKDSXLMJV-SECBINFHSA-N 0 0 188.230 2.141 10 30 AEEERN N#CCc1nc2cc(O)ccc2s1 74274456 573293241 /nfs/dbraw/zinc/29/32/41/573293241.db2.gz UYQOLYBEXRTNTK-UHFFFAOYSA-N 0 0 190.227 2.068 10 30 AEEERN C=CC(=O)c1cc(CC)co1 238325791 573293255 /nfs/dbraw/zinc/29/32/55/573293255.db2.gz NNHHWHDCTNQJRJ-UHFFFAOYSA-N 0 0 150.177 2.211 10 30 AEEERN CC[C@@H](C#N)N[C@H](CC)CSC 217330466 573293279 /nfs/dbraw/zinc/29/32/79/573293279.db2.gz FFETZTXKRNMTHX-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN N#Cc1cc2c(cc1F)CCC2 257997141 573293313 /nfs/dbraw/zinc/29/33/13/573293313.db2.gz LMJHUUWXECVSDA-UHFFFAOYSA-N 0 0 161.179 2.186 10 30 AEEERN C[C@H](Nc1ccnc(C#N)c1)C(F)F 306900600 573293368 /nfs/dbraw/zinc/29/33/68/573293368.db2.gz MARVHMJUDCGGFL-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN CCC[C@]1(C#N)C[C@H]1C 259072516 573293422 /nfs/dbraw/zinc/29/34/22/573293422.db2.gz YIKOCRGYBDOFRL-HTQZYQBOSA-N 0 0 123.199 2.336 10 30 AEEERN CNc1cc(C#N)cnc1C(C)C 238325545 573293495 /nfs/dbraw/zinc/29/34/95/573293495.db2.gz GJZJQEJXWFVFTF-UHFFFAOYSA-N 0 0 175.235 2.118 10 30 AEEERN CCN1C[C@H](CC=O)c2ccccc21 257997194 573293541 /nfs/dbraw/zinc/29/35/41/573293541.db2.gz FZAHWQFKJIIQDF-JTQLQIEISA-N 0 0 189.258 2.199 10 30 AEEERN N#Cc1c(O)ccc2sc(N)cc12 306897058 573293655 /nfs/dbraw/zinc/29/36/55/573293655.db2.gz RTTITUKAEILRMQ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=CC[C@@H](C=O)C(C)C 116539289 573293672 /nfs/dbraw/zinc/29/36/72/573293672.db2.gz UCENWOFPTQSUNH-QMMMGPOBSA-N 0 0 126.199 2.034 10 30 AEEERN CCC[C@]1(C#N)C[C@@H]1C 259072519 573293733 /nfs/dbraw/zinc/29/37/33/573293733.db2.gz YIKOCRGYBDOFRL-JGVFFNPUSA-N 0 0 123.199 2.336 10 30 AEEERN COc1ccc(C/C=C\CC=O)cc1 257996864 573295278 /nfs/dbraw/zinc/29/52/78/573295278.db2.gz ADOZRIDSHGDYQC-IHWYPQMZSA-N 0 0 190.242 2.383 10 30 AEEERN N#CCc1nc2ccc(O)cc2s1 74274454 573295411 /nfs/dbraw/zinc/29/54/11/573295411.db2.gz LMGYGUULCNWTLA-UHFFFAOYSA-N 0 0 190.227 2.068 10 30 AEEERN CCn1ccc2c(CC=O)cccc21 257997207 573295029 /nfs/dbraw/zinc/29/50/29/573295029.db2.gz FZLQQUVFMDMWEI-UHFFFAOYSA-N 0 0 187.242 2.403 10 30 AEEERN N#Cc1cc2c(N)ccc(F)c2o1 259406758 573295116 /nfs/dbraw/zinc/29/51/16/573295116.db2.gz KCAUPZWWYSSETI-UHFFFAOYSA-N 0 0 176.150 2.026 10 30 AEEERN C[C@@H]1[C@@H](C#N)CCN1Cc1ccco1 259407541 573295135 /nfs/dbraw/zinc/29/51/35/573295135.db2.gz YJVUENWMJVPUEG-NXEZZACHSA-N 0 0 190.246 2.014 10 30 AEEERN CC(C)(C)c1ccc([C@@H](O)C=O)cc1 116563083 573295424 /nfs/dbraw/zinc/29/54/24/573295424.db2.gz WMYGCOQFAOBYIJ-NSHDSACASA-N 0 0 192.258 2.216 10 30 AEEERN COc1cc2c(cc1C#N)OCS2 257996653 573295330 /nfs/dbraw/zinc/29/53/30/573295330.db2.gz GAYHCKOZRKUPMQ-UHFFFAOYSA-N 0 0 193.227 2.009 10 30 AEEERN C=C(C)c1cnc(NC)c(C)c1 238354734 573295342 /nfs/dbraw/zinc/29/53/42/573295342.db2.gz SVMBHVXIGAGHAF-UHFFFAOYSA-N 0 0 162.236 2.465 10 30 AEEERN CCCN[C@@H](C#N)C1(CC)CCC1 686134473 573296396 /nfs/dbraw/zinc/29/63/96/573296396.db2.gz UEAZKRPMHZOVLO-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN N#C[C@@H]1CCCC[C@@H]1SC1COC1 86195212 573296422 /nfs/dbraw/zinc/29/64/22/573296422.db2.gz WCESRBHSLGIWJR-WPRPVWTQSA-N 0 0 197.303 2.201 10 30 AEEERN COc1cncc2c(C#N)cccc12 307039887 573296357 /nfs/dbraw/zinc/29/63/57/573296357.db2.gz KZXISDRJTMUMTQ-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN CCCCCCCC[C@H](O)C=O 116563030 573296879 /nfs/dbraw/zinc/29/68/79/573296879.db2.gz KJVPFIVHXBTQFR-JTQLQIEISA-N 0 0 172.268 2.297 10 30 AEEERN N#C[C@H]1CCCC[C@@H]1SC1COC1 86195214 573296771 /nfs/dbraw/zinc/29/67/71/573296771.db2.gz WCESRBHSLGIWJR-SCZZXKLOSA-N 0 0 197.303 2.201 10 30 AEEERN O=CCCC(F)(F)C(F)(F)F 116564850 573297127 /nfs/dbraw/zinc/29/71/27/573297127.db2.gz ZVOOIXQMYKPANY-UHFFFAOYSA-N 0 0 176.084 2.163 10 30 AEEERN C[C@H]1[C@@H](C#N)CCN1Cc1ccco1 259407549 573297153 /nfs/dbraw/zinc/29/71/53/573297153.db2.gz YJVUENWMJVPUEG-VHSXEESVSA-N 0 0 190.246 2.014 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1SC1COC1 86195213 573297448 /nfs/dbraw/zinc/29/74/48/573297448.db2.gz WCESRBHSLGIWJR-WCBMZHEXSA-N 0 0 197.303 2.201 10 30 AEEERN CO[C@@H](C)c1ccc(CC#N)cc1 257998884 573297451 /nfs/dbraw/zinc/29/74/51/573297451.db2.gz LQBJOWMPDSKNNI-VIFPVBQESA-N 0 0 175.231 2.460 10 30 AEEERN N#Cc1cc(F)cc2cc(N)sc12 306907643 573297500 /nfs/dbraw/zinc/29/75/00/573297500.db2.gz FAGYQDKICLVNSO-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=CC[C@H]1CCCCNC1=S 197296764 573300605 /nfs/dbraw/zinc/30/06/05/573300605.db2.gz IWWPMCPSEBQQEV-QMMMGPOBSA-N 0 0 169.293 2.280 10 30 AEEERN C=CC[C@H](C)[C@@H](C)C(C)=O 715757613 573299634 /nfs/dbraw/zinc/29/96/34/573299634.db2.gz OKNVNWZBJSJIMU-JGVFFNPUSA-N 0 0 140.226 2.424 10 30 AEEERN CCCN[C@H](C#N)C1(CC)CCC1 686134476 573299690 /nfs/dbraw/zinc/29/96/90/573299690.db2.gz UEAZKRPMHZOVLO-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN C#CCOc1cc(C)ccc1F 82939473 573299755 /nfs/dbraw/zinc/29/97/55/573299755.db2.gz BJNWAHACGCGPTN-UHFFFAOYSA-N 0 0 164.179 2.146 10 30 AEEERN C=C(CCC=O)[C@@H]1CC[C@](C)(O)[C@@H]1C 238452773 573299869 /nfs/dbraw/zinc/29/98/69/573299869.db2.gz QJLJOQKGJCQKBV-WOPDTQHZSA-N 0 0 196.290 2.319 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)CC(C)(C)OC 308547926 573299960 /nfs/dbraw/zinc/29/99/60/573299960.db2.gz WHVLCMVCCMJGDF-ZJUUUORDSA-N 0 0 198.310 2.082 10 30 AEEERN CCC(=O)c1ccc(OC)cc1C#N 307035235 573299992 /nfs/dbraw/zinc/29/99/92/573299992.db2.gz WNRJEKJSGUSPJI-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN C[C@H]1[C@H](C#N)CCN1Cc1ccco1 259407545 573300007 /nfs/dbraw/zinc/30/00/07/573300007.db2.gz YJVUENWMJVPUEG-UWVGGRQHSA-N 0 0 190.246 2.014 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)CC(C)(C)OC 308547923 573300049 /nfs/dbraw/zinc/30/00/49/573300049.db2.gz WHVLCMVCCMJGDF-VHSXEESVSA-N 0 0 198.310 2.082 10 30 AEEERN C=C(CC=O)Cc1ccccc1OC 258286196 573300051 /nfs/dbraw/zinc/30/00/51/573300051.db2.gz SYKKJGLQZJFWKL-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN O=C[C@@H](O)c1cccc2ccccc12 116563097 573300057 /nfs/dbraw/zinc/30/00/57/573300057.db2.gz LTIVHPGXNRQHMY-GFCCVEGCSA-N 0 0 186.210 2.072 10 30 AEEERN C=CC[C@H](C)[C@H](C)C(C)=O 715757619 573300116 /nfs/dbraw/zinc/30/01/16/573300116.db2.gz OKNVNWZBJSJIMU-YUMQZZPRSA-N 0 0 140.226 2.424 10 30 AEEERN N#Cc1cc2sc(F)cc2cc1N 306907833 573300128 /nfs/dbraw/zinc/30/01/28/573300128.db2.gz DLLJVWLMOPSFGO-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC1(C)O[C@H]1CC/C=C\CCCO 219829068 573300241 /nfs/dbraw/zinc/30/02/41/573300241.db2.gz IFHXZBGAVUPSHO-XOULXFPDSA-N 0 0 184.279 2.273 10 30 AEEERN O=C[C@H](O)c1ccc2ccccc2c1 116563103 573300245 /nfs/dbraw/zinc/30/02/45/573300245.db2.gz HWZJXYOBTUVJDG-LBPRGKRZSA-N 0 0 186.210 2.072 10 30 AEEERN CC[C@@H](C#N)c1ccc[nH]1 259073543 573300369 /nfs/dbraw/zinc/30/03/69/573300369.db2.gz CAVPPAKFZHCRDK-ZETCQYMHSA-N 0 0 134.182 2.032 10 30 AEEERN CC(C)c1c[nH]c(C2(C#N)CCC2)n1 259074479 573300377 /nfs/dbraw/zinc/30/03/77/573300377.db2.gz LAAYXCFVIZCXOM-UHFFFAOYSA-N 0 0 189.262 2.478 10 30 AEEERN Cc1cc([C@@H](C)CO)cc(C#N)c1C 258001404 573300379 /nfs/dbraw/zinc/30/03/79/573300379.db2.gz GNVVJHYUXPZSJR-VIFPVBQESA-N 0 0 189.258 2.271 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)CC(C)(C)OC 308547922 573300470 /nfs/dbraw/zinc/30/04/70/573300470.db2.gz WHVLCMVCCMJGDF-UWVGGRQHSA-N 0 0 198.310 2.082 10 30 AEEERN N#Cc1cccc(-c2ccon2)c1 157394496 573300488 /nfs/dbraw/zinc/30/04/88/573300488.db2.gz GYGBUJGTKCWSJA-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN Cc1nc2c(CCC=O)cccc2o1 258001415 573300685 /nfs/dbraw/zinc/30/06/85/573300685.db2.gz GOFKSFHBWYFFML-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN C=CC[C@@H](C)[C@@H](C)C(C)=O 715757609 573300715 /nfs/dbraw/zinc/30/07/15/573300715.db2.gz OKNVNWZBJSJIMU-HTQZYQBOSA-N 0 0 140.226 2.424 10 30 AEEERN N#Cc1c(O)ccc2c(N)csc12 306907332 573300841 /nfs/dbraw/zinc/30/08/41/573300841.db2.gz NIMLJDHMYOLAEU-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN Cc1ccc2cc(CC=O)[nH]c2c1 258001416 573300846 /nfs/dbraw/zinc/30/08/46/573300846.db2.gz CBRZVLGFEUBQIU-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN Cc1c(C#N)cc(C2CCC2)n1C 259073139 573301058 /nfs/dbraw/zinc/30/10/58/573301058.db2.gz FJFDQWKFKRUKMJ-UHFFFAOYSA-N 0 0 174.247 2.473 10 30 AEEERN Cc1c2cc(C#N)nc-2[nH]c2c1CCC2 259409644 573301180 /nfs/dbraw/zinc/30/11/80/573301180.db2.gz RKGDXFZMSFYQLW-UHFFFAOYSA-N 0 0 197.241 2.232 10 30 AEEERN COC1=C(C)C(=O)CC(C)(C)C1 197281286 573301225 /nfs/dbraw/zinc/30/12/25/573301225.db2.gz HVDUYMHFPMBLHF-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN Cc1n[nH]cc1-c1cc(CC#N)co1 74279539 573301362 /nfs/dbraw/zinc/30/13/62/573301362.db2.gz NKGJLMVINXMDHE-UHFFFAOYSA-N 0 0 187.202 2.044 10 30 AEEERN C=CC[C@@H]1CCCCNC1=S 197296745 573301583 /nfs/dbraw/zinc/30/15/83/573301583.db2.gz IWWPMCPSEBQQEV-MRVPVSSYSA-N 0 0 169.293 2.280 10 30 AEEERN N#Cc1c(N)ccc2sc(F)cc12 306904138 573301615 /nfs/dbraw/zinc/30/16/15/573301615.db2.gz TTYSRPBPDMKRLT-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C[C@@H]1CC(=O)C=C1[Si](C)(C)C 197296584 573301674 /nfs/dbraw/zinc/30/16/74/573301674.db2.gz IKGQUJYGLUULEM-SSDOTTSWSA-N 0 0 168.312 2.399 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(C)CCC1 308325028 573301722 /nfs/dbraw/zinc/30/17/22/573301722.db2.gz DSSPDNXEXFBHDR-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN CC[C@H](C#N)c1ccc[nH]1 259073541 573301750 /nfs/dbraw/zinc/30/17/50/573301750.db2.gz CAVPPAKFZHCRDK-SSDOTTSWSA-N 0 0 134.182 2.032 10 30 AEEERN CC[C@H](C#N)N[C@H](C)CC(C)(C)OC 308547919 573301788 /nfs/dbraw/zinc/30/17/88/573301788.db2.gz WHVLCMVCCMJGDF-NXEZZACHSA-N 0 0 198.310 2.082 10 30 AEEERN Cc1ccc([C@H](O)CS)c(C)c1 259073214 573301988 /nfs/dbraw/zinc/30/19/88/573301988.db2.gz FJWMJOLXTHLEIG-SNVBAGLBSA-N 0 0 182.288 2.267 10 30 AEEERN CC(C)[C@@H]1CC[C@@](C)(CC=O)C1=O 198046166 573302003 /nfs/dbraw/zinc/30/20/03/573302003.db2.gz KXMVOGYPCUDRHX-ONGXEEELSA-N 0 0 182.263 2.217 10 30 AEEERN C#CCSCc1ncoc1C1CC1 308342251 573302049 /nfs/dbraw/zinc/30/20/49/573302049.db2.gz RRFDDDLYLUYLCZ-UHFFFAOYSA-N 0 0 193.271 2.418 10 30 AEEERN C#Cc1cc(Cl)c(C)cn1 209760587 573311576 /nfs/dbraw/zinc/31/15/76/573311576.db2.gz HJCNQEPITICZPJ-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C#CC[C@@H](C)Nc1cc2cc[nH]c2cn1 308887668 573303649 /nfs/dbraw/zinc/30/36/49/573303649.db2.gz WKLOWPWUUSQGPF-SECBINFHSA-N 0 0 199.257 2.387 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H]1CCO[C@H]1C 715762136 573304616 /nfs/dbraw/zinc/30/46/16/573304616.db2.gz OCVHXKFAQGUANH-LPEHRKFASA-N 0 0 182.263 2.193 10 30 AEEERN C#Cc1ccnc(C)c1Cl 209766836 573303817 /nfs/dbraw/zinc/30/38/17/573303817.db2.gz NTEBZJOKXYJMCW-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN COc1cccc(CF)c1C#N 257993406 573303839 /nfs/dbraw/zinc/30/38/39/573303839.db2.gz KXYANUBAACXFNV-UHFFFAOYSA-N 0 0 165.167 2.036 10 30 AEEERN CC(C)(C)C#CC[C@@H](O)C1CSC1 404809660 573303980 /nfs/dbraw/zinc/30/39/80/573303980.db2.gz WTDFBMWSOKYBPN-SNVBAGLBSA-N 0 0 198.331 2.150 10 30 AEEERN C=CCCC(C)N=N[C@H]1CCSC1 308342948 573304197 /nfs/dbraw/zinc/30/41/97/573304197.db2.gz SAWRMMZMRHGGML-JTQLQIEISA-N 0 0 198.335 2.424 10 30 AEEERN Cc1cc([C@H](C)CO)cc(C#N)c1C 258001401 573304278 /nfs/dbraw/zinc/30/42/78/573304278.db2.gz GNVVJHYUXPZSJR-SECBINFHSA-N 0 0 189.258 2.271 10 30 AEEERN C=CCCC(C)N=N[C@@H]1CCSC1 308342949 573304333 /nfs/dbraw/zinc/30/43/33/573304333.db2.gz SAWRMMZMRHGGML-SNVBAGLBSA-N 0 0 198.335 2.424 10 30 AEEERN Cc1ccc2c(c1)nc(CS)n2C 74295640 573304361 /nfs/dbraw/zinc/30/43/61/573304361.db2.gz XTCAPLFKQHGNGN-UHFFFAOYSA-N 0 0 192.287 2.312 10 30 AEEERN C/C(=N/O)c1cc(F)cc(F)c1 106603728 573304448 /nfs/dbraw/zinc/30/44/48/573304448.db2.gz OLANPVRYDYBVJT-WZUFQYTHSA-N 0 0 171.146 2.163 10 30 AEEERN C=CC[C@@H](C)[C@@H](NN)c1ccccc1 715762341 573304488 /nfs/dbraw/zinc/30/44/88/573304488.db2.gz ZWKRIIHFRQLMTJ-ZYHUDNBSSA-N 0 0 190.290 2.403 10 30 AEEERN Cc1nc2cc([C@@H]3O[C@H]3C)ccc2[nH]1 259410522 573304603 /nfs/dbraw/zinc/30/46/03/573304603.db2.gz SQLOFYZZNSLVHC-UPONEAKYSA-N 0 0 188.230 2.331 10 30 AEEERN CCc1cc(CC)n([C@@H](C#N)CC)n1 132492225 573304634 /nfs/dbraw/zinc/30/46/34/573304634.db2.gz HCXUNVFHGXNUBS-LLVKDONJSA-N 0 0 191.278 2.483 10 30 AEEERN Cc1nc2cc([C@@H]3O[C@@H]3C)ccc2[nH]1 259410519 573304735 /nfs/dbraw/zinc/30/47/35/573304735.db2.gz SQLOFYZZNSLVHC-KSBSHMNSSA-N 0 0 188.230 2.331 10 30 AEEERN CCO[C@H]1C[C@@H]1C(=O)C1=CCCCC1 690041332 573304771 /nfs/dbraw/zinc/30/47/71/573304771.db2.gz CZBRGAZYYNSJIY-QWRGUYRKSA-N 0 0 194.274 2.481 10 30 AEEERN C=C(CC=O)[C@H]1CCCSC1 258286122 573305029 /nfs/dbraw/zinc/30/50/29/573305029.db2.gz SWVNYSSXBANEQE-VIFPVBQESA-N 0 0 170.277 2.275 10 30 AEEERN C[C@H]1CC=CC[C@]1(C)C=O 224863364 573305061 /nfs/dbraw/zinc/30/50/61/573305061.db2.gz HEMVGFBAUVBOIK-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(F)c(O[C@@H](C)C#N)c1 82939736 573305093 /nfs/dbraw/zinc/30/50/93/573305093.db2.gz FVECRFLHMQESSI-QMMMGPOBSA-N 0 0 179.194 2.425 10 30 AEEERN CCC[C@@H](CC=O)C(F)F 258625566 573305235 /nfs/dbraw/zinc/30/52/35/573305235.db2.gz XCGKAPWOOGPJTG-LURJTMIESA-N 0 0 150.168 2.257 10 30 AEEERN C#CC[C@](C)(CCCC)OC(=O)NC 238795852 573305294 /nfs/dbraw/zinc/30/52/94/573305294.db2.gz NCZMRIRKGNKCGA-LLVKDONJSA-N 0 0 197.278 2.315 10 30 AEEERN CN1CCc2cc(CCS)ccc21 259078649 573305364 /nfs/dbraw/zinc/30/53/64/573305364.db2.gz CKDUVEOFJXVJAB-UHFFFAOYSA-N 0 0 193.315 2.151 10 30 AEEERN C#CC[C@](C)(CCCC)OC(N)=O 238795853 573305757 /nfs/dbraw/zinc/30/57/57/573305757.db2.gz PVYRENDHLFWNQI-SNVBAGLBSA-N 0 0 183.251 2.054 10 30 AEEERN C=C(C)C(=O)CC1(COC)CCC1 308343432 573305625 /nfs/dbraw/zinc/30/56/25/573305625.db2.gz SNEKXCVRBWSBFU-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN C=C(CC=O)[C@@H]1CCCSC1 258286120 573305675 /nfs/dbraw/zinc/30/56/75/573305675.db2.gz SWVNYSSXBANEQE-SECBINFHSA-N 0 0 170.277 2.275 10 30 AEEERN N#Cc1ccnc(N[C@@H]2CC[C@@H]3C[C@@H]32)c1 308856977 573306810 /nfs/dbraw/zinc/30/68/10/573306810.db2.gz RNZXCQGRJBOFJL-OUAUKWLOSA-N 0 0 199.257 2.164 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H]1CCO[C@H]1C 715762130 573306371 /nfs/dbraw/zinc/30/63/71/573306371.db2.gz OCVHXKFAQGUANH-GUBZILKMSA-N 0 0 182.263 2.193 10 30 AEEERN N#Cc1cc2c3c(ccn3CCC2)c1 259409582 573306466 /nfs/dbraw/zinc/30/64/66/573306466.db2.gz KUBPCLDEBHSLLI-UHFFFAOYSA-N 0 0 182.226 2.459 10 30 AEEERN C=CCc1cc(OC)ccc1C#N 238340770 573306503 /nfs/dbraw/zinc/30/65/03/573306503.db2.gz PUEHGLGSIYABIP-UHFFFAOYSA-N 0 0 173.215 2.295 10 30 AEEERN CCc1cc(CC)n([C@H](C#N)CC)n1 132492009 573306689 /nfs/dbraw/zinc/30/66/89/573306689.db2.gz HCXUNVFHGXNUBS-NSHDSACASA-N 0 0 191.278 2.483 10 30 AEEERN C=CCc1c(C#N)ccc(OC)c1O 238340795 573306755 /nfs/dbraw/zinc/30/67/55/573306755.db2.gz LAPARXCSFOJJBT-UHFFFAOYSA-N 0 0 189.214 2.001 10 30 AEEERN CCOC[C@]1(C)CC[C@](C)(CC#N)O1 308544522 573307019 /nfs/dbraw/zinc/30/70/19/573307019.db2.gz PGAOUOQPKWDPQL-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN C[C@@H]1CC=CC[C@@]1(C)C=O 224863255 573307106 /nfs/dbraw/zinc/30/71/06/573307106.db2.gz HEMVGFBAUVBOIK-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@](C)(C=O)c1ccc(OC)cc1 238340917 573307276 /nfs/dbraw/zinc/30/72/76/573307276.db2.gz FPYGMUIZWMDVNB-LBPRGKRZSA-N 0 0 190.242 2.338 10 30 AEEERN N#C[C@@H]1CCS[C@H]1C1CC1 259606265 573307986 /nfs/dbraw/zinc/30/79/86/573307986.db2.gz DGEDOGPIGLZBST-YUMQZZPRSA-N 0 0 153.250 2.042 10 30 AEEERN C=CC[C@@H](C)[C@H](NN)c1ccccc1 715762322 573307390 /nfs/dbraw/zinc/30/73/90/573307390.db2.gz ZWKRIIHFRQLMTJ-PWSUYJOCSA-N 0 0 190.290 2.403 10 30 AEEERN CC[C@@H](C#N)CC1CCOCC1 259411793 573307597 /nfs/dbraw/zinc/30/75/97/573307597.db2.gz ONOGMYVLEJJWDB-SECBINFHSA-N 0 0 167.252 2.353 10 30 AEEERN C=CCOc1c(C)ccc(C)c1CO 238454769 573307615 /nfs/dbraw/zinc/30/76/15/573307615.db2.gz XQPJMENZDZTCJL-UHFFFAOYSA-N 0 0 192.258 2.361 10 30 AEEERN N#C[C@H]1CCS[C@H]1C1CC1 259606262 573307697 /nfs/dbraw/zinc/30/76/97/573307697.db2.gz DGEDOGPIGLZBST-SFYZADRCSA-N 0 0 153.250 2.042 10 30 AEEERN CCC[C@H](CC=O)C(F)F 258625569 573307775 /nfs/dbraw/zinc/30/77/75/573307775.db2.gz XCGKAPWOOGPJTG-ZCFIWIBFSA-N 0 0 150.168 2.257 10 30 AEEERN CC[C@H](C#N)CC1CCOCC1 259411796 573308024 /nfs/dbraw/zinc/30/80/24/573308024.db2.gz ONOGMYVLEJJWDB-VIFPVBQESA-N 0 0 167.252 2.353 10 30 AEEERN C=CCCCNc1ccnc(OC)c1 308548640 573307794 /nfs/dbraw/zinc/30/77/94/573307794.db2.gz OYHLRXZQRJNDBQ-UHFFFAOYSA-N 0 0 192.262 2.468 10 30 AEEERN N#C[C@@H]1CCS[C@@H]1C1CC1 259606261 573307812 /nfs/dbraw/zinc/30/78/12/573307812.db2.gz DGEDOGPIGLZBST-JGVFFNPUSA-N 0 0 153.250 2.042 10 30 AEEERN C=CC[C@H](C)[C@@H](NN)c1ccccc1 715762320 573307844 /nfs/dbraw/zinc/30/78/44/573307844.db2.gz ZWKRIIHFRQLMTJ-CMPLNLGQSA-N 0 0 190.290 2.403 10 30 AEEERN C=CC/C=C(/C)CCCO 223994501 573307920 /nfs/dbraw/zinc/30/79/20/573307920.db2.gz OVKUFGPHTKZKMV-TWGQIWQCSA-N 0 0 140.226 2.281 10 30 AEEERN N#CC#Cc1ccc(Cl)c(F)c1 236146515 573308593 /nfs/dbraw/zinc/30/85/93/573308593.db2.gz MDAAVQUKPHVEQN-UHFFFAOYSA-N 0 0 179.581 2.354 10 30 AEEERN C#CCN(CC)c1cccc(C#N)c1 223984529 573308618 /nfs/dbraw/zinc/30/86/18/573308618.db2.gz GAESBPWLBMKGPY-UHFFFAOYSA-N 0 0 184.242 2.018 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H]1CCO[C@@H]1C 715762133 573308694 /nfs/dbraw/zinc/30/86/94/573308694.db2.gz OCVHXKFAQGUANH-IVZWLZJFSA-N 0 0 182.263 2.193 10 30 AEEERN N#Cc1ccncc1N[C@@H]1C[C@H]1C1CC1 308857922 573308699 /nfs/dbraw/zinc/30/86/99/573308699.db2.gz UKTGATKFMDSKFK-WDEREUQCSA-N 0 0 199.257 2.164 10 30 AEEERN SCc1nc(C2CCC2)c[nH]1 259079297 573308719 /nfs/dbraw/zinc/30/87/19/573308719.db2.gz LOMYKEAGNIMBAT-UHFFFAOYSA-N 0 0 168.265 2.107 10 30 AEEERN C#Cc1cnc(C)c(Cl)c1 209766020 573308884 /nfs/dbraw/zinc/30/88/84/573308884.db2.gz GQQDWBFWYNKGLQ-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN CC(C)c1ccc(NCC=O)cc1 258624278 573308947 /nfs/dbraw/zinc/30/89/47/573308947.db2.gz JURKGCDHRNITFH-UHFFFAOYSA-N 0 0 177.247 2.421 10 30 AEEERN C=CC[C@H](C)[C@H](NN)c1ccccc1 715762321 573309026 /nfs/dbraw/zinc/30/90/26/573309026.db2.gz ZWKRIIHFRQLMTJ-JQWIXIFHSA-N 0 0 190.290 2.403 10 30 AEEERN CCc1nc(CC)c([C@@H](C)C#N)o1 74306062 573309121 /nfs/dbraw/zinc/30/91/21/573309121.db2.gz PSKLBXUNLSBOQR-ZETCQYMHSA-N 0 0 178.235 2.426 10 30 AEEERN N#Cc1ccncc1N[C@H]1C[C@@H]1C1CC1 308857912 573309194 /nfs/dbraw/zinc/30/91/94/573309194.db2.gz UKTGATKFMDSKFK-MNOVXSKESA-N 0 0 199.257 2.164 10 30 AEEERN C#Cc1cncc(C)c1Cl 209762337 573309468 /nfs/dbraw/zinc/30/94/68/573309468.db2.gz RBUUUBXCPZYFLV-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN COc1c(C#N)cnc(C)c1C(F)F 238345167 573309563 /nfs/dbraw/zinc/30/95/63/573309563.db2.gz MXTLIBFTNDEYHG-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN Cc1ncc(C#N)n1-c1cccs1 259412030 573309669 /nfs/dbraw/zinc/30/96/69/573309669.db2.gz RMJIFMXFBAFKSS-UHFFFAOYSA-N 0 0 189.243 2.114 10 30 AEEERN Cc1cc(-c2ccc(C)o2)nc(C#N)n1 259079328 573309705 /nfs/dbraw/zinc/30/97/05/573309705.db2.gz LSRLSGPAUONIIQ-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C[C@H](C=O)CC#C[Si](C)(C)C 198083659 573311560 /nfs/dbraw/zinc/31/15/60/573311560.db2.gz JDMVNRSIJCOQJH-VIFPVBQESA-N 0 0 168.312 2.092 10 30 AEEERN CC(=O)O/C=C1\CCCCCCC1=O 308546142 573310510 /nfs/dbraw/zinc/31/05/10/573310510.db2.gz PSWOJYCGQQJINF-CSKARUKUSA-N 0 0 196.246 2.357 10 30 AEEERN N#Cc1cc(N[C@@H]2C[C@@H]2C2CC2)ccn1 308859155 573311567 /nfs/dbraw/zinc/31/15/67/573311567.db2.gz XLVURCHXIRGHGB-VXGBXAGGSA-N 0 0 199.257 2.164 10 30 AEEERN C#CCCn1nc(CC)cc1CC 132528468 573310731 /nfs/dbraw/zinc/31/07/31/573310731.db2.gz UJGJTWPPFFOZCL-UHFFFAOYSA-N 0 0 176.263 2.031 10 30 AEEERN CC(C)[C@@H](C#N)CN(C)c1ccc[nH]1 259079107 573310743 /nfs/dbraw/zinc/31/07/43/573310743.db2.gz VAZRNKKFIJPDPA-JTQLQIEISA-N 0 0 191.278 2.247 10 30 AEEERN Cc1ccc([C@H]2O[C@H]2C)o1 259413679 573310911 /nfs/dbraw/zinc/31/09/11/573310911.db2.gz SXMBDXSSELORRF-XPUUQOCRSA-N 0 0 138.166 2.048 10 30 AEEERN C#Cc1cc(Cl)ncc1C 209760974 573310937 /nfs/dbraw/zinc/31/09/37/573310937.db2.gz MEHAIAFBWIOTRL-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C=CCC(=O)C(F)(F)C(F)F 236148198 573310968 /nfs/dbraw/zinc/31/09/68/573310968.db2.gz WDBMNZDJNLQBIR-UHFFFAOYSA-N 0 0 170.105 2.032 10 30 AEEERN N#Cc1cc2c(N)cc(F)cc2s1 307055895 573311012 /nfs/dbraw/zinc/31/10/12/573311012.db2.gz UWGRPHLKXITNCD-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CO[C@H]1CCCC(C(C)=O)=C1C 238345286 573311206 /nfs/dbraw/zinc/31/12/06/573311206.db2.gz ALJGLYYOCCKHHE-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN C=COc1cc(F)cc(C#N)c1 307064688 573311311 /nfs/dbraw/zinc/31/13/11/573311311.db2.gz QJNYMLNRHMZICU-UHFFFAOYSA-N 0 0 163.151 2.220 10 30 AEEERN C#Cc1cc(Cl)cnc1C 209766364 573311349 /nfs/dbraw/zinc/31/13/49/573311349.db2.gz DYFHMUZCPCEURM-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN COc1cncc(N=[N+]=[N-])c1 238346799 573311410 /nfs/dbraw/zinc/31/14/10/573311410.db2.gz WBCVFBHICGMLQR-UHFFFAOYSA-N 0 0 150.141 2.032 10 30 AEEERN N#Cc1cc(N[C@@H]2C[C@H]2C2CC2)ccn1 308859149 573311422 /nfs/dbraw/zinc/31/14/22/573311422.db2.gz XLVURCHXIRGHGB-NWDGAFQWSA-N 0 0 199.257 2.164 10 30 AEEERN C=C(CO)Cc1ccc(C)cc1 258001011 573311615 /nfs/dbraw/zinc/31/16/15/573311615.db2.gz AKHZXEKWCRSEOF-UHFFFAOYSA-N 0 0 162.232 2.086 10 30 AEEERN COc1c(C(F)F)cc(C)nc1C#N 238345420 573312591 /nfs/dbraw/zinc/31/25/91/573312591.db2.gz KEXBFNVHFHPJJW-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H](OC)C(C)C 715770695 573312497 /nfs/dbraw/zinc/31/24/97/573312497.db2.gz CSDMRIQOLACVGD-ONGXEEELSA-N 0 0 184.279 2.439 10 30 AEEERN N#Cc1cccc2sc(F)c(N)c12 306920635 573312644 /nfs/dbraw/zinc/31/26/44/573312644.db2.gz NDFNQXXKZSFXHR-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC1CN(c2ccc(C#N)c(F)c2)C1 307053399 573314017 /nfs/dbraw/zinc/31/40/17/573314017.db2.gz VTOMZYVRMSOAKI-UHFFFAOYSA-N 0 0 190.221 2.153 10 30 AEEERN O/N=C/c1c(F)ccc(F)c1Cl 117000613 573315506 /nfs/dbraw/zinc/31/55/06/573315506.db2.gz QOQHNJLEMRTOCH-QDEBKDIKSA-N 0 0 191.564 2.426 10 30 AEEERN N#Cc1cc(O)cc2c1CC(=O)S2 306915140 573318515 /nfs/dbraw/zinc/31/85/15/573318515.db2.gz UCYDQRBKVOZCPC-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN C[C@@H](C=O)CC#C[Si](C)(C)C 198083667 573315182 /nfs/dbraw/zinc/31/51/82/573315182.db2.gz JDMVNRSIJCOQJH-SECBINFHSA-N 0 0 168.312 2.092 10 30 AEEERN COc1cc(C2(C#N)CC2)ccc1F 238352167 573315262 /nfs/dbraw/zinc/31/52/62/573315262.db2.gz ZZGXEKFQTOMVLW-UHFFFAOYSA-N 0 0 191.205 2.389 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H](OC)C(C)C 715770687 573315428 /nfs/dbraw/zinc/31/54/28/573315428.db2.gz CSDMRIQOLACVGD-GXSJLCMTSA-N 0 0 184.279 2.439 10 30 AEEERN C#C/C(=C\CO)c1ccc(CC)cc1 238350569 573315468 /nfs/dbraw/zinc/31/54/68/573315468.db2.gz QEULPUULOYOFSS-FMIVXFBMSA-N 0 0 186.254 2.258 10 30 AEEERN Cc1ccc([C@H]2O[C@@H]2C)o1 259413676 573315604 /nfs/dbraw/zinc/31/56/04/573315604.db2.gz SXMBDXSSELORRF-SVRRBLITSA-N 0 0 138.166 2.048 10 30 AEEERN Cc1ccc2nc(CC#N)oc2c1 74310185 573315725 /nfs/dbraw/zinc/31/57/25/573315725.db2.gz CBSWXEUNYSMNKB-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN N#Cc1c(F)sc2ccc(N)cc12 306920142 573315847 /nfs/dbraw/zinc/31/58/47/573315847.db2.gz LPMCLCCZBDOPDH-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CCC(=O)c1cc(C#N)cc(C#N)c1 307051429 573316149 /nfs/dbraw/zinc/31/61/49/573316149.db2.gz NFUFLPHNUCQROE-UHFFFAOYSA-N 0 0 184.198 2.023 10 30 AEEERN CCN1C[C@H](C=O)c2cc(C)ccc21 258257154 573316064 /nfs/dbraw/zinc/31/60/64/573316064.db2.gz YDDWKBOAMSKLSQ-SNVBAGLBSA-N 0 0 189.258 2.117 10 30 AEEERN CC#C[C@H]1CCC[C@H](OC)C1 238350729 573316162 /nfs/dbraw/zinc/31/61/62/573316162.db2.gz HYOXZJWXZSGAGH-UWVGGRQHSA-N 0 0 152.237 2.215 10 30 AEEERN C=C(C)c1ccccc1NC(=O)NC 238351674 573316267 /nfs/dbraw/zinc/31/62/67/573316267.db2.gz NDFMMQWTTRXQMT-UHFFFAOYSA-N 0 0 190.246 2.471 10 30 AEEERN COc1cc(C)c(F)c(CCC=O)c1 258003705 573316271 /nfs/dbraw/zinc/31/62/71/573316271.db2.gz GQNPLPIUDBCCFO-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CC(C)Cc1ncsc1C#N 259083706 573316376 /nfs/dbraw/zinc/31/63/76/573316376.db2.gz DGGLRJJGLYKWRO-UHFFFAOYSA-N 0 0 166.249 2.213 10 30 AEEERN COc1ccc(C(=O)C#N)c(Cl)c1 259083940 573316514 /nfs/dbraw/zinc/31/65/14/573316514.db2.gz FQWKSCVHOQRPDM-UHFFFAOYSA-N 0 0 195.605 2.055 10 30 AEEERN CCC(CC)C[C@@](C)(O)CC=O 129382854 573316726 /nfs/dbraw/zinc/31/67/26/573316726.db2.gz URCFWKPIMPTACD-JTQLQIEISA-N 0 0 172.268 2.153 10 30 AEEERN CCCc1c[nH]c([C@@H](C#N)CC)n1 259085661 573316736 /nfs/dbraw/zinc/31/67/36/573316736.db2.gz MHSCXSMEQORJHE-MRVPVSSYSA-N 0 0 177.251 2.379 10 30 AEEERN C=C(C)c1ccc(OC)cc1O 238351689 573317109 /nfs/dbraw/zinc/31/71/09/573317109.db2.gz DORPANARYYHSMT-UHFFFAOYSA-N 0 0 164.204 2.434 10 30 AEEERN CC(=O)C1=C[C@@H](C)CCC1 117098880 573317399 /nfs/dbraw/zinc/31/73/99/573317399.db2.gz KUAOSSRFCWYCMT-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN N#Cc1c(O)cc(N)c2ccsc12 306920539 573317453 /nfs/dbraw/zinc/31/74/53/573317453.db2.gz MMSIZPPHXFWEEE-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC[C@@H](C#N)[C@H](N)c1ccccc1F 259415890 573317487 /nfs/dbraw/zinc/31/74/87/573317487.db2.gz MLIUGFWQSLSTAL-KWQFWETISA-N 0 0 192.237 2.375 10 30 AEEERN O=CC/C=C\C[C@H]1CCCCO1 258301610 573317556 /nfs/dbraw/zinc/31/75/56/573317556.db2.gz USMBFSOUMXKKHA-SYBPUXJVSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1ccc(-c2cnn(C)c2C#N)cc1 259416124 573317621 /nfs/dbraw/zinc/31/76/21/573317621.db2.gz KVTORCYSJVPQQU-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN CCc1ccc2c(n1)c(C#N)cn2CC 259416915 573318774 /nfs/dbraw/zinc/31/87/74/573318774.db2.gz SAXIFEPAHBWDRR-UHFFFAOYSA-N 0 0 199.257 2.490 10 30 AEEERN N#Cc1ccc(N[C@H]2C[C@H]2C2CC2)nc1 308859469 573317888 /nfs/dbraw/zinc/31/78/88/573317888.db2.gz AMCOKFKFYNPXHQ-QWRGUYRKSA-N 0 0 199.257 2.164 10 30 AEEERN C=C(C)c1ccc(OC)c(=O)cc1 238351769 573317985 /nfs/dbraw/zinc/31/79/85/573317985.db2.gz SQVPHKNYZPUJQK-UHFFFAOYSA-N 0 0 176.215 2.089 10 30 AEEERN C=C(Cl)[C@@H](O)c1ccc(OC)cc1 238351514 573318059 /nfs/dbraw/zinc/31/80/59/573318059.db2.gz NCUQELYNDAODDR-SNVBAGLBSA-N 0 0 198.649 2.481 10 30 AEEERN O=CC/C=C\C[C@@H]1CCCCO1 258301607 573318098 /nfs/dbraw/zinc/31/80/98/573318098.db2.gz USMBFSOUMXKKHA-JWXWKVPASA-N 0 0 168.236 2.091 10 30 AEEERN CC[C@H](C)CNc1ccncc1C#N 306605821 573318125 /nfs/dbraw/zinc/31/81/25/573318125.db2.gz GLJAJASBPWXOSU-VIFPVBQESA-N 0 0 189.262 2.411 10 30 AEEERN CCCSc1nc(C)ncc1C#N 306915351 573318254 /nfs/dbraw/zinc/31/82/54/573318254.db2.gz VSOGJIZDAHGLMD-UHFFFAOYSA-N 0 0 193.275 2.159 10 30 AEEERN C[C@@H]1C=CCC(C)(C)[C@H]1C=O 117104209 573318264 /nfs/dbraw/zinc/31/82/64/573318264.db2.gz BTWUQYXRVLEFBW-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN CC(=O)C1=C[C@H](C)CCC1 117098877 573318345 /nfs/dbraw/zinc/31/83/45/573318345.db2.gz KUAOSSRFCWYCMT-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN CC#CC[C@H](NN)[C@@H](CC)CCCC 129371430 573318425 /nfs/dbraw/zinc/31/84/25/573318425.db2.gz XAAWTFFGKFCUAS-RYUDHWBXSA-N 0 0 196.338 2.448 10 30 AEEERN CC(=O)C1=CCC[C@H](C)C1 117110322 573318460 /nfs/dbraw/zinc/31/84/60/573318460.db2.gz SSXMGFRWWILTNO-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN COc1c(C(F)F)ncc(C#N)c1C 238352070 573318532 /nfs/dbraw/zinc/31/85/32/573318532.db2.gz AKNMIQLUAQWQRQ-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CC#CC[C@@H](CC1CCCCC1)NN 129364330 573318758 /nfs/dbraw/zinc/31/87/58/573318758.db2.gz UKQMFHZUAGFDTB-LBPRGKRZSA-N 0 0 194.322 2.202 10 30 AEEERN CC#CC[C@@H](NN)[C@@H](CC)CCCC 129371048 573318658 /nfs/dbraw/zinc/31/86/58/573318658.db2.gz XAAWTFFGKFCUAS-NWDGAFQWSA-N 0 0 196.338 2.448 10 30 AEEERN Cc1cc(N(C)CCC#N)ccc1C#N 132573605 573318861 /nfs/dbraw/zinc/31/88/61/573318861.db2.gz VWVZJCXMIUVUJG-UHFFFAOYSA-N 0 0 199.257 2.217 10 30 AEEERN O=CC[C@H](F)c1ccccc1F 258627758 573318919 /nfs/dbraw/zinc/31/89/19/573318919.db2.gz XLSHBCMYHYKLDJ-VIFPVBQESA-N 0 0 170.158 2.425 10 30 AEEERN C=C(CCC)C(C)(C)CO 224028599 573318989 /nfs/dbraw/zinc/31/89/89/573318989.db2.gz KFLZDVNZWNFIPJ-UHFFFAOYSA-N 0 0 142.242 2.361 10 30 AEEERN CCN1C[C@@H](C=O)c2cc(C)ccc21 258257153 573319024 /nfs/dbraw/zinc/31/90/24/573319024.db2.gz YDDWKBOAMSKLSQ-JTQLQIEISA-N 0 0 189.258 2.117 10 30 AEEERN C=CCCCCCC[NH2+]CCC(=O)[O-] 308551905 573319071 /nfs/dbraw/zinc/31/90/71/573319071.db2.gz SHKONUOHXDYSDC-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN C=CC(=O)Cc1cc(F)ccc1F 236159713 573319193 /nfs/dbraw/zinc/31/91/93/573319193.db2.gz FMTMIXUDFGPYKU-UHFFFAOYSA-N 0 0 182.169 2.262 10 30 AEEERN COc1c(C#N)ncc(C(F)F)c1C 238352212 573319229 /nfs/dbraw/zinc/31/92/29/573319229.db2.gz WDNYECJUBJROLS-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CC[C@H](C#N)[C@H](N)c1ccccc1F 259415888 573319264 /nfs/dbraw/zinc/31/92/64/573319264.db2.gz MLIUGFWQSLSTAL-KCJUWKMLSA-N 0 0 192.237 2.375 10 30 AEEERN CCC(CC)C[C@](C)(O)CC=O 129382629 573319331 /nfs/dbraw/zinc/31/93/31/573319331.db2.gz URCFWKPIMPTACD-SNVBAGLBSA-N 0 0 172.268 2.153 10 30 AEEERN CC(=O)C1=CC[C@H](C)CC1 117089420 573319356 /nfs/dbraw/zinc/31/93/56/573319356.db2.gz ZEFPXLSKKCRRIU-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN N#CCn1ccc2ccc(C#N)cc21 236155779 573319414 /nfs/dbraw/zinc/31/94/14/573319414.db2.gz ISHNQUQSVUGNFZ-UHFFFAOYSA-N 0 0 181.198 2.037 10 30 AEEERN CCCc1c[nH]c([C@H](C#N)CC)n1 259085665 573319424 /nfs/dbraw/zinc/31/94/24/573319424.db2.gz MHSCXSMEQORJHE-QMMMGPOBSA-N 0 0 177.251 2.379 10 30 AEEERN CC(=O)C1=C(C)CCCC1 117094771 573319462 /nfs/dbraw/zinc/31/94/62/573319462.db2.gz ZLSWYDUVHMPLTD-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN N#CCn1ccc2c(C#N)cccc21 236155667 573319463 /nfs/dbraw/zinc/31/94/63/573319463.db2.gz NMCMRCJOEKZOPV-UHFFFAOYSA-N 0 0 181.198 2.037 10 30 AEEERN C=C(C)c1ccc(OC)cc1CO 238351661 573319552 /nfs/dbraw/zinc/31/95/52/573319552.db2.gz YKGQLYXGWXGNAH-UHFFFAOYSA-N 0 0 178.231 2.221 10 30 AEEERN CC[C@H](C#N)[C@@H](N)c1ccccc1F 259415893 573319649 /nfs/dbraw/zinc/31/96/49/573319649.db2.gz MLIUGFWQSLSTAL-LDYMZIIASA-N 0 0 192.237 2.375 10 30 AEEERN Cc1cc2c(cc1CCS)OCO2 106873351 573319751 /nfs/dbraw/zinc/31/97/51/573319751.db2.gz CVZOYNNDXVJDGI-UHFFFAOYSA-N 0 0 196.271 2.196 10 30 AEEERN COCC1(c2ccc(C#N)cc2)CC1 259415853 573319753 /nfs/dbraw/zinc/31/97/53/573319753.db2.gz MQDTYFFGLMOOKH-UHFFFAOYSA-N 0 0 187.242 2.236 10 30 AEEERN C#CC[C@@H](CC)NC(=O)CCCC 126074991 573319755 /nfs/dbraw/zinc/31/97/55/573319755.db2.gz UGFAJFOTBGJGHB-SNVBAGLBSA-N 0 0 181.279 2.095 10 30 AEEERN CC[C@H](C)[C@@H](C)CC=O 117109954 573319765 /nfs/dbraw/zinc/31/97/65/573319765.db2.gz AFFOREKIFCONEL-YUMQZZPRSA-N 0 0 128.215 2.258 10 30 AEEERN CCC(=O)c1ccc(C#N)c(C)c1 306914935 573319807 /nfs/dbraw/zinc/31/98/07/573319807.db2.gz SVSDBEJOZNBNBC-UHFFFAOYSA-N 0 0 173.215 2.459 10 30 AEEERN CC#CCCSCc1ccn(C)n1 308347164 573319868 /nfs/dbraw/zinc/31/98/68/573319868.db2.gz WBWRQEGTNVGWON-UHFFFAOYSA-N 0 0 194.303 2.067 10 30 AEEERN C#CC[C@H](CC)NC(=O)CCCC 126074769 573320032 /nfs/dbraw/zinc/32/00/32/573320032.db2.gz UGFAJFOTBGJGHB-JTQLQIEISA-N 0 0 181.279 2.095 10 30 AEEERN C[C@H]1C=CCC(C)(C)[C@H]1C=O 117104211 573320084 /nfs/dbraw/zinc/32/00/84/573320084.db2.gz BTWUQYXRVLEFBW-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN CC#CC[C@H](CC1CCCCC1)NN 129364561 573320096 /nfs/dbraw/zinc/32/00/96/573320096.db2.gz UKQMFHZUAGFDTB-GFCCVEGCSA-N 0 0 194.322 2.202 10 30 AEEERN O=CC[C@@H](F)c1ccccc1F 258627754 573320172 /nfs/dbraw/zinc/32/01/72/573320172.db2.gz XLSHBCMYHYKLDJ-SECBINFHSA-N 0 0 170.158 2.425 10 30 AEEERN CCC(C)=CC(=O)c1ncc(C)cn1 132580002 573320186 /nfs/dbraw/zinc/32/01/86/573320186.db2.gz KNXIRRICABAUAD-UHFFFAOYSA-N 0 0 190.246 2.324 10 30 AEEERN C=CCNC(=O)ON=C(C)[C@@H](C)CC 308346508 573320209 /nfs/dbraw/zinc/32/02/09/573320209.db2.gz WKVKETVVYDJUMU-QMMMGPOBSA-N 0 0 198.266 2.321 10 30 AEEERN CCOC(=O)/C=C(\C)CCCCC=O 308347659 573320259 /nfs/dbraw/zinc/32/02/59/573320259.db2.gz XVKAFUDEIQRXAQ-MDZDMXLPSA-N 0 0 198.262 2.255 10 30 AEEERN COc1ccc(C#N)c2cc(C)[nH]c12 238342203 573320296 /nfs/dbraw/zinc/32/02/96/573320296.db2.gz BWJXPLCERQTDKA-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN C=CCNC(=O)ON=C(C)[C@H](C)CC 308346507 573320816 /nfs/dbraw/zinc/32/08/16/573320816.db2.gz WKVKETVVYDJUMU-MRVPVSSYSA-N 0 0 198.266 2.321 10 30 AEEERN COC1(Cc2ccc(C#N)cc2)CC1 259415799 573320847 /nfs/dbraw/zinc/32/08/47/573320847.db2.gz MOQXLTYULGWAGR-UHFFFAOYSA-N 0 0 187.242 2.280 10 30 AEEERN CC(=O)C1=CC[C@@H](C)CC1 117089424 573320852 /nfs/dbraw/zinc/32/08/52/573320852.db2.gz ZEFPXLSKKCRRIU-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN N#Cc1ccc(N[C@@H]2C[C@@H]2C2CC2)nc1 308859465 573321025 /nfs/dbraw/zinc/32/10/25/573321025.db2.gz AMCOKFKFYNPXHQ-GHMZBOCLSA-N 0 0 199.257 2.164 10 30 AEEERN CCCSc1cc(C#N)nc(C)n1 306257349 573321047 /nfs/dbraw/zinc/32/10/47/573321047.db2.gz PPOANNZPUSGVGW-UHFFFAOYSA-N 0 0 193.275 2.159 10 30 AEEERN CN(CCC[C@H]1CO1)c1ccccc1 308548748 573321119 /nfs/dbraw/zinc/32/11/19/573321119.db2.gz WUDCRXAJYSZSKO-LBPRGKRZSA-N 0 0 191.274 2.302 10 30 AEEERN COc1ccc(C#N)c2cnsc12 238342343 573321265 /nfs/dbraw/zinc/32/12/65/573321265.db2.gz MJDMFXQLTZRURK-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN C[C@H]1C[C@H]1c1ccc(CC=O)o1 82954672 573321365 /nfs/dbraw/zinc/32/13/65/573321365.db2.gz WRLOMXCHAKSQER-IONNQARKSA-N 0 0 164.204 2.144 10 30 AEEERN C[C@H]1C=CCC(C)(C)[C@@H]1C=O 117104206 573321400 /nfs/dbraw/zinc/32/14/00/573321400.db2.gz BTWUQYXRVLEFBW-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN CO[C@@H]1C=C(C)[C@@H](C=O)C(C)(C)C1 238341821 573321429 /nfs/dbraw/zinc/32/14/29/573321429.db2.gz RPGJZLMJOFKAJE-NXEZZACHSA-N 0 0 182.263 2.193 10 30 AEEERN CO[C@@H]1C=C(C)[C@H](C=O)C(C)(C)C1 238341794 573321459 /nfs/dbraw/zinc/32/14/59/573321459.db2.gz RPGJZLMJOFKAJE-ZJUUUORDSA-N 0 0 182.263 2.193 10 30 AEEERN Cc1cccc(O)c1CC[C@H]1CO1 107493017 573321588 /nfs/dbraw/zinc/32/15/88/573321588.db2.gz SSGSPFPBMVIWMB-VIFPVBQESA-N 0 0 178.231 2.032 10 30 AEEERN CC(=O)C1=CCC[C@@H](C)C1 117110319 573321614 /nfs/dbraw/zinc/32/16/14/573321614.db2.gz SSXMGFRWWILTNO-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN CN(CCC[C@@H]1CO1)c1ccccc1 308548746 573321655 /nfs/dbraw/zinc/32/16/55/573321655.db2.gz WUDCRXAJYSZSKO-GFCCVEGCSA-N 0 0 191.274 2.302 10 30 AEEERN CC[C@@H](C#N)[C@@H](N)c1ccccc1F 259415886 573321712 /nfs/dbraw/zinc/32/17/12/573321712.db2.gz MLIUGFWQSLSTAL-GZMMTYOYSA-N 0 0 192.237 2.375 10 30 AEEERN COc1ccc(C#N)c2sncc12 238342538 573321752 /nfs/dbraw/zinc/32/17/52/573321752.db2.gz KXAMZIJJMGGQKP-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN COc1c(C#N)cnc(C(F)F)c1C 238352619 573321808 /nfs/dbraw/zinc/32/18/08/573321808.db2.gz IGMJRFFJGNAANA-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN N#Cc1cc(F)c(F)c(CF)c1 306600734 573321833 /nfs/dbraw/zinc/32/18/33/573321833.db2.gz UFQZRKUTPJWBJR-UHFFFAOYSA-N 0 0 171.121 2.306 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc(CC=O)o1 82954669 573321936 /nfs/dbraw/zinc/32/19/36/573321936.db2.gz WRLOMXCHAKSQER-APPZFPTMSA-N 0 0 164.204 2.144 10 30 AEEERN COc1cc(C(F)F)c(CC#N)cn1 238341773 573322006 /nfs/dbraw/zinc/32/20/06/573322006.db2.gz PSGYQFSXNHODMX-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CC[C@@H](C)c1ccnc(C#N)c1 306259138 573322083 /nfs/dbraw/zinc/32/20/83/573322083.db2.gz ZSESPRWRXCRXOY-MRVPVSSYSA-N 0 0 160.220 2.467 10 30 AEEERN CC[C@@H](C)[C@@H](C)CC=O 117109951 573322318 /nfs/dbraw/zinc/32/23/18/573322318.db2.gz AFFOREKIFCONEL-SFYZADRCSA-N 0 0 128.215 2.258 10 30 AEEERN COc1ccccc1C#CC(F)F 238342388 573322335 /nfs/dbraw/zinc/32/23/35/573322335.db2.gz SMYKKUVBDJGECK-UHFFFAOYSA-N 0 0 182.169 2.312 10 30 AEEERN Cc1cc(CC#N)c(N(C)C)cc1C 259415702 573322344 /nfs/dbraw/zinc/32/23/44/573322344.db2.gz MLXWMGCVPUTCAK-UHFFFAOYSA-N 0 0 188.274 2.436 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H](OC)C1CC1 715772076 573323562 /nfs/dbraw/zinc/32/35/62/573323562.db2.gz IBOJEVHAZBVXRL-GZMMTYOYSA-N 0 0 182.263 2.193 10 30 AEEERN C=C(CC=O)c1ccccc1OC 258004876 573323291 /nfs/dbraw/zinc/32/32/91/573323291.db2.gz AQMQNQZUGUVUGJ-UHFFFAOYSA-N 0 0 176.215 2.297 10 30 AEEERN C=C(c1ccc(OC)cc1)[C@@H](C)O 238344172 573327728 /nfs/dbraw/zinc/32/77/28/573327728.db2.gz CWTDGRPMJPRJJO-SECBINFHSA-N 0 0 178.231 2.089 10 30 AEEERN COc1c(C#N)ccc2cc(C)[nH]c12 238343903 573327731 /nfs/dbraw/zinc/32/77/31/573327731.db2.gz KMJDOROLXNCNGI-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN COc1c(C#N)ccc2occc12 238344222 573327124 /nfs/dbraw/zinc/32/71/24/573327124.db2.gz VFRQZGNCUTYUHT-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN CSCSc1ncccc1C#N 306601140 573327168 /nfs/dbraw/zinc/32/71/68/573327168.db2.gz JXXQTHACYIFEAI-UHFFFAOYSA-N 0 0 196.300 2.366 10 30 AEEERN N#Cc1cncc(NCc2ccco2)c1 308859592 573327188 /nfs/dbraw/zinc/32/71/88/573327188.db2.gz YLVXJBUQWGLHDB-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN COc1c(C#N)ccc2cc[nH]c12 238343927 573327195 /nfs/dbraw/zinc/32/71/95/573327195.db2.gz IRDJGDSKVFUZNB-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN C[C@H](OCCC[C@@H]1CO1)C(F)(F)F 308348991 573327282 /nfs/dbraw/zinc/32/72/82/573327282.db2.gz XGVPMAAQDNAYRQ-NKWVEPMBSA-N 0 0 198.184 2.133 10 30 AEEERN Cc1cc(C)cc(C(=O)C#N)c1 143567389 573327523 /nfs/dbraw/zinc/32/75/23/573327523.db2.gz ZFHVZGQCKLULGK-UHFFFAOYSA-N 0 0 159.188 2.010 10 30 AEEERN Cc1ccc(CCC=O)c(N(C)C)c1 259417599 573327815 /nfs/dbraw/zinc/32/78/15/573327815.db2.gz JZIADNSNNCCOEV-UHFFFAOYSA-N 0 0 191.274 2.193 10 30 AEEERN C=CCCN(C)C(=O)N1CCCCC1 308549825 573327585 /nfs/dbraw/zinc/32/75/85/573327585.db2.gz PMFNTFAGKLXVGX-UHFFFAOYSA-N 0 0 196.294 2.100 10 30 AEEERN C[C@@H](C#N)NCC1C(C)(C)C1(C)C 86240072 573330422 /nfs/dbraw/zinc/33/04/22/573330422.db2.gz MIPSOBOYNYDYTE-QMMMGPOBSA-N 0 0 180.295 2.170 10 30 AEEERN Cc1cnc2ccc(C#N)cc2c1 258631057 573330255 /nfs/dbraw/zinc/33/02/55/573330255.db2.gz XRKJFROYASQDHX-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN C=CCC(C)(C)C(=S)NC 238358345 573330390 /nfs/dbraw/zinc/33/03/90/573330390.db2.gz MEYSUKIPHDKFMC-UHFFFAOYSA-N 0 0 157.282 2.136 10 30 AEEERN CCc1ccc(CC#N)c(C#N)c1 238358722 573330409 /nfs/dbraw/zinc/33/04/09/573330409.db2.gz XPEOFHNGMYWSOP-UHFFFAOYSA-N 0 0 170.215 2.187 10 30 AEEERN CC(C)(C)C[C@@H]1OCC[C@@H]1C#N 86245081 573330918 /nfs/dbraw/zinc/33/09/18/573330918.db2.gz XHBCPPJPYKFMKX-BDAKNGLRSA-N 0 0 167.252 2.351 10 30 AEEERN N#CCC1(CC2CC2)CC1 259608272 573330663 /nfs/dbraw/zinc/33/06/63/573330663.db2.gz DNTUMQAAYFKNEL-UHFFFAOYSA-N 0 0 135.210 2.480 10 30 AEEERN C[C@@H](OCCC[C@H]1CO1)C(F)(F)F 308348998 573330674 /nfs/dbraw/zinc/33/06/74/573330674.db2.gz XGVPMAAQDNAYRQ-RQJHMYQMSA-N 0 0 198.184 2.133 10 30 AEEERN CCC[C@H]1OCCC[C@H]1C#N 86245218 573332518 /nfs/dbraw/zinc/33/25/18/573332518.db2.gz WIEYAFAEOJJABM-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN N#C[C@@H]1CCO[C@H]1C1CCCC1 86245135 573332738 /nfs/dbraw/zinc/33/27/38/573332738.db2.gz SEUYZKVUVRLKCP-UWVGGRQHSA-N 0 0 165.236 2.105 10 30 AEEERN CC(C)C[C@@H]1OCCC[C@@H]1C#N 86245201 573332921 /nfs/dbraw/zinc/33/29/21/573332921.db2.gz IDWPXQXXMKOXCM-ZJUUUORDSA-N 0 0 167.252 2.351 10 30 AEEERN C=C(C)C[C@H](O)[C@H](CC)OCC 132688624 573332924 /nfs/dbraw/zinc/33/29/24/573332924.db2.gz LADQZTIEEDUGFL-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN CCCC[C@@H]1OCC[C@H]1C#N 86245063 573332045 /nfs/dbraw/zinc/33/20/45/573332045.db2.gz KEEGDDKFANHJNL-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN COc1ccc2c(c1)C=C[C@H]2C=O 238360083 573332104 /nfs/dbraw/zinc/33/21/04/573332104.db2.gz IKPXLJLHELISQM-VIFPVBQESA-N 0 0 174.199 2.005 10 30 AEEERN Cc1c2c(nc3oc(C#N)cc13)CCC2 259419820 573332125 /nfs/dbraw/zinc/33/21/25/573332125.db2.gz SJRKUISDOIGJAG-UHFFFAOYSA-N 0 0 198.225 2.497 10 30 AEEERN N#C[C@H]1CCCO[C@@H]1C1CCCC1 86245236 573332137 /nfs/dbraw/zinc/33/21/37/573332137.db2.gz VWKJNFWUVLZMJK-GHMZBOCLSA-N 0 0 179.263 2.495 10 30 AEEERN C=C[C@@H](C)C(C)(C)C(=S)NC 238358390 573332180 /nfs/dbraw/zinc/33/21/80/573332180.db2.gz ROEYDPFJUGCQGL-SSDOTTSWSA-N 0 0 171.309 2.382 10 30 AEEERN C=C[C@H](C)C(C)(C)C(=S)NC 238358368 573332200 /nfs/dbraw/zinc/33/22/00/573332200.db2.gz ROEYDPFJUGCQGL-ZETCQYMHSA-N 0 0 171.309 2.382 10 30 AEEERN N#C[C@H]1CCO[C@H]1C1CCCC1 86245137 573332203 /nfs/dbraw/zinc/33/22/03/573332203.db2.gz SEUYZKVUVRLKCP-ZJUUUORDSA-N 0 0 165.236 2.105 10 30 AEEERN CCC(CC)[C@H]1OCC[C@H]1C#N 86245066 573332227 /nfs/dbraw/zinc/33/22/27/573332227.db2.gz NYZYRSYEGZBYQL-VHSXEESVSA-N 0 0 167.252 2.351 10 30 AEEERN C=C[C@@H](NCCC)c1ncc(C)cn1 132713342 573332254 /nfs/dbraw/zinc/33/22/54/573332254.db2.gz RPPUZQTXTIWWQT-SNVBAGLBSA-N 0 0 191.278 2.012 10 30 AEEERN N#C[C@@H]1CCCO[C@@H]1c1ccoc1 86245246 573332349 /nfs/dbraw/zinc/33/23/49/573332349.db2.gz VUKAHTJGADCUPT-WPRPVWTQSA-N 0 0 177.203 2.271 10 30 AEEERN N#CCSc1ccc2[nH]cnc2c1 259087608 573332381 /nfs/dbraw/zinc/33/23/81/573332381.db2.gz OUGWVUSMMYHAFC-UHFFFAOYSA-N 0 0 189.243 2.179 10 30 AEEERN CCC(CC)[C@@H]1OCC[C@@H]1C#N 86245069 573332392 /nfs/dbraw/zinc/33/23/92/573332392.db2.gz NYZYRSYEGZBYQL-ZJUUUORDSA-N 0 0 167.252 2.351 10 30 AEEERN C=C[C@H](NCCC)c1ncc(C)cn1 132713149 573332414 /nfs/dbraw/zinc/33/24/14/573332414.db2.gz RPPUZQTXTIWWQT-JTQLQIEISA-N 0 0 191.278 2.012 10 30 AEEERN C=C(C)CC[C@H](O)c1ccccn1 143554493 573332466 /nfs/dbraw/zinc/33/24/66/573332466.db2.gz QEBFFLLGSNSLOR-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN N#C[C@H]1CCCO[C@H]1c1ccoc1 86245249 573332513 /nfs/dbraw/zinc/33/25/13/573332513.db2.gz VUKAHTJGADCUPT-PSASIEDQSA-N 0 0 177.203 2.271 10 30 AEEERN CC[C@H](C)[C@H]1OCCC[C@H]1C#N 86245167 573332525 /nfs/dbraw/zinc/33/25/25/573332525.db2.gz USGAGWBDFFEQCK-LPEHRKFASA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@H](C=O)[C@@H](C)C1CCCCC1 231477418 573332565 /nfs/dbraw/zinc/33/25/65/573332565.db2.gz UJMFGHMJEQKUFM-ONGXEEELSA-N 0 0 184.279 2.417 10 30 AEEERN N#Cc1nccc2cc3n(c12)CCCC3 259608183 573332639 /nfs/dbraw/zinc/33/26/39/573332639.db2.gz GMUNHHJOLBOVHQ-UHFFFAOYSA-N 0 0 197.241 2.244 10 30 AEEERN CCC[C@H](C)[C@H]1OCC[C@H]1C#N 86245095 573332648 /nfs/dbraw/zinc/33/26/48/573332648.db2.gz OGNGQMZKJKHRGQ-LPEHRKFASA-N 0 0 167.252 2.351 10 30 AEEERN C[C@@H]1C[C@@H]1CNc1cnccc1C#N 135534465 573332667 /nfs/dbraw/zinc/33/26/67/573332667.db2.gz OJQOOICQBJIOHM-PSASIEDQSA-N 0 0 187.246 2.021 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1[C@H]1CC=CCC1 86245071 573332691 /nfs/dbraw/zinc/33/26/91/573332691.db2.gz IVVYWXSNMCKUNN-GARJFASQSA-N 0 0 177.247 2.271 10 30 AEEERN C=CC[C@@H](C)N(CC#N)C(C)C 715773281 573332787 /nfs/dbraw/zinc/33/27/87/573332787.db2.gz LIJYKOKJHFGVSP-SNVBAGLBSA-N 0 0 166.268 2.185 10 30 AEEERN CC(C)(C)C[C@H]1OCC[C@H]1C#N 86245078 573332818 /nfs/dbraw/zinc/33/28/18/573332818.db2.gz XHBCPPJPYKFMKX-DTWKUNHWSA-N 0 0 167.252 2.351 10 30 AEEERN N#C[C@H]1CCCO[C@@H]1c1ccoc1 86245248 573333029 /nfs/dbraw/zinc/33/30/29/573333029.db2.gz VUKAHTJGADCUPT-SCZZXKLOSA-N 0 0 177.203 2.271 10 30 AEEERN N#C[C@H]1CCO[C@H]1Cc1ccccc1 86245061 573333048 /nfs/dbraw/zinc/33/30/48/573333048.db2.gz JPJWXOXTWSVPQA-NEPJUHHUSA-N 0 0 187.242 2.158 10 30 AEEERN N#C[C@H]1CCO[C@H]1C1CCCCC1 86245145 573333070 /nfs/dbraw/zinc/33/30/70/573333070.db2.gz IFROZRAJMUFCEU-MNOVXSKESA-N 0 0 179.263 2.495 10 30 AEEERN N#CCCCOc1c(N)cccc1F 132650723 573333089 /nfs/dbraw/zinc/33/30/89/573333089.db2.gz OOMNCICHHUYTGE-UHFFFAOYSA-N 0 0 194.209 2.090 10 30 AEEERN C#CC[C@H](CC)NC(=O)[C@H](C)CCC 126085553 573333125 /nfs/dbraw/zinc/33/31/25/573333125.db2.gz OEZIUPRPVLILSB-MNOVXSKESA-N 0 0 195.306 2.341 10 30 AEEERN CC(C)C[C@H]1OCCC[C@@H]1C#N 86245200 573333185 /nfs/dbraw/zinc/33/31/85/573333185.db2.gz IDWPXQXXMKOXCM-NXEZZACHSA-N 0 0 167.252 2.351 10 30 AEEERN CCC(CC)[C@@H]1OCC[C@H]1C#N 86245067 573333350 /nfs/dbraw/zinc/33/33/50/573333350.db2.gz NYZYRSYEGZBYQL-UWVGGRQHSA-N 0 0 167.252 2.351 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H]1CCC1(F)F 308349992 573334984 /nfs/dbraw/zinc/33/49/84/573334984.db2.gz XXUPRJRUQIQOCB-RNFRBKRXSA-N 0 0 190.189 2.149 10 30 AEEERN C=C1C(=O)CCC12CCCC2 223033224 573334994 /nfs/dbraw/zinc/33/49/94/573334994.db2.gz YPQGBOSWXPBLSU-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN CN[C@@H](S)c1ccc(F)cc1F 259423404 573335067 /nfs/dbraw/zinc/33/50/67/573335067.db2.gz NOECTUDPUOLPAG-QMMMGPOBSA-N 0 0 189.230 2.113 10 30 AEEERN CC(=O)c1cc(F)c(C#N)c(F)c1F 260239623 573335093 /nfs/dbraw/zinc/33/50/93/573335093.db2.gz SWITUWQDRLIMTN-UHFFFAOYSA-N 0 0 199.131 2.178 10 30 AEEERN C/C=C/C(=O)[C@H]1C=CCCC1 143553441 573335284 /nfs/dbraw/zinc/33/52/84/573335284.db2.gz PYVNOWOVBVDTTN-BBJBCUTESA-N 0 0 150.221 2.488 10 30 AEEERN COc1cccc(C#CC(F)F)c1 238360270 573335303 /nfs/dbraw/zinc/33/53/03/573335303.db2.gz OPVBMLCBAVZBQU-UHFFFAOYSA-N 0 0 182.169 2.312 10 30 AEEERN CC(C)=C(F)C(=O)OCCCC#N 308345226 573335534 /nfs/dbraw/zinc/33/55/34/573335534.db2.gz UVCSAZRVZWWEPF-UHFFFAOYSA-N 0 0 185.198 2.097 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CCC1(F)F 308349990 573335540 /nfs/dbraw/zinc/33/55/40/573335540.db2.gz XXUPRJRUQIQOCB-BQBZGAKWSA-N 0 0 190.189 2.149 10 30 AEEERN COC(=O)/C=C/C=C/CCCCC=O 308349618 573335616 /nfs/dbraw/zinc/33/56/16/573335616.db2.gz ILVJUMFQUAXFGB-WJDMQLPWSA-N 0 0 196.246 2.031 10 30 AEEERN O=C(c1cccc2ccccc12)[C@H]1CO1 259086373 573335758 /nfs/dbraw/zinc/33/57/58/573335758.db2.gz GKVHRLDSALSHIW-GFCCVEGCSA-N 0 0 198.221 2.421 10 30 AEEERN COc1nc(C#N)c(C(F)F)cc1C 238354427 573335791 /nfs/dbraw/zinc/33/57/91/573335791.db2.gz ANMVHTDUKWDIEC-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN Cc1cc(OCC2CC2)c(C#N)cn1 306615436 573335842 /nfs/dbraw/zinc/33/58/42/573335842.db2.gz PGAIJHQXCSBSMC-UHFFFAOYSA-N 0 0 188.230 2.051 10 30 AEEERN C=CC[C@@H](C=O)CC(C)C 117407637 573335866 /nfs/dbraw/zinc/33/58/66/573335866.db2.gz BJFSILDDLFWLMM-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN CCCCCSCC=O 78065498 573335870 /nfs/dbraw/zinc/33/58/70/573335870.db2.gz RVRKRAVIMVLTKL-UHFFFAOYSA-N 0 0 146.255 2.109 10 30 AEEERN CN[C@H](S)c1ccc(F)cc1F 259423402 573336093 /nfs/dbraw/zinc/33/60/93/573336093.db2.gz NOECTUDPUOLPAG-MRVPVSSYSA-N 0 0 189.230 2.113 10 30 AEEERN C[C@@H]1C[C@H]1CN=NCC1CCCC1 308346217 573336094 /nfs/dbraw/zinc/33/60/94/573336094.db2.gz VMXDWQVTGHQHIF-KOLCDFICSA-N 0 0 180.295 2.408 10 30 AEEERN C/C=C(/CC)C(=O)c1cn(CC)cn1 308559787 573336101 /nfs/dbraw/zinc/33/61/01/573336101.db2.gz VFPCAHFRABKABL-WTKPLQERSA-N 0 0 192.262 2.442 10 30 AEEERN C=CC[C@H](C=O)[C@@H](C)CC 117422913 573336112 /nfs/dbraw/zinc/33/61/12/573336112.db2.gz MWQLKKBNYHRVHR-DTWKUNHWSA-N 0 0 140.226 2.424 10 30 AEEERN Cc1cccc(-c2c[nH]c(CC#N)n2)c1 259089597 573336239 /nfs/dbraw/zinc/33/62/39/573336239.db2.gz MQGGOAVXLQXCEP-UHFFFAOYSA-N 0 0 197.241 2.451 10 30 AEEERN C=CC[C@@H](C)C(=O)C[C@@H]1CCOC1 715774897 573336304 /nfs/dbraw/zinc/33/63/04/573336304.db2.gz RJGAZIJIWPKROA-ZJUUUORDSA-N 0 0 182.263 2.194 10 30 AEEERN C=CC[C@@H](O)CC1(COC)CCC1 308345199 573336354 /nfs/dbraw/zinc/33/63/54/573336354.db2.gz UTRUKNIPXZHOCX-SNVBAGLBSA-N 0 0 184.279 2.130 10 30 AEEERN C=CC[C@H](C)C(=O)C[C@@H]1CCOC1 715774882 573336406 /nfs/dbraw/zinc/33/64/06/573336406.db2.gz RJGAZIJIWPKROA-UWVGGRQHSA-N 0 0 182.263 2.194 10 30 AEEERN Cc1cccc2c(CC=O)coc12 258007150 573336482 /nfs/dbraw/zinc/33/64/82/573336482.db2.gz CIYVKBFJQJHQKK-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN COc1nc(C#N)cc(C)c1C(F)F 238355368 573336538 /nfs/dbraw/zinc/33/65/38/573336538.db2.gz BYXFDTTVYKORHY-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=CC[C@@H](C=O)[C@@H](C)CC 117422907 573338599 /nfs/dbraw/zinc/33/85/99/573338599.db2.gz MWQLKKBNYHRVHR-IUCAKERBSA-N 0 0 140.226 2.424 10 30 AEEERN COc1ccc(C(F)F)c(CC#N)n1 238355553 573338601 /nfs/dbraw/zinc/33/86/01/573338601.db2.gz PCEIDUVCMRCDPN-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C=CC[C@H](C=O)[C@H](C)CC 117422910 573338496 /nfs/dbraw/zinc/33/84/96/573338496.db2.gz MWQLKKBNYHRVHR-RKDXNWHRSA-N 0 0 140.226 2.424 10 30 AEEERN Cn1ncc(-c2cccs2)c1C#N 259423641 573338517 /nfs/dbraw/zinc/33/85/17/573338517.db2.gz LOTBNVHTLPTILK-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN CC#CCCOC(=O)C(F)=C(C)C 308346281 573338528 /nfs/dbraw/zinc/33/85/28/573338528.db2.gz VRSWLCSHAQPDAR-UHFFFAOYSA-N 0 0 184.210 2.206 10 30 AEEERN CC(C)C[C@@H](C#N)c1cccnn1 259086743 573339251 /nfs/dbraw/zinc/33/92/51/573339251.db2.gz IVTFTNVWWGUEQY-VIFPVBQESA-N 0 0 175.235 2.130 10 30 AEEERN CC(C)(C)C(F)(F)CC=O 258633270 573339267 /nfs/dbraw/zinc/33/92/67/573339267.db2.gz XZHJLOVPLVWKFC-UHFFFAOYSA-N 0 0 150.168 2.257 10 30 AEEERN C=CCCCOC(=O)/C=C/C1CC1 308352939 573339340 /nfs/dbraw/zinc/33/93/40/573339340.db2.gz ZLLPPYJKAKICSC-BQYQJAHWSA-N 0 0 180.247 2.462 10 30 AEEERN CC[C@H](C#N)[C@@H](N)c1cccc(F)c1 259423508 573339386 /nfs/dbraw/zinc/33/93/86/573339386.db2.gz MVHOXNHCDVJNIJ-LDYMZIIASA-N 0 0 192.237 2.375 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@]1(O)[C@H](C)C#N 235565645 573339530 /nfs/dbraw/zinc/33/95/30/573339530.db2.gz HARZNVXDNLPTNE-NGZCFLSTSA-N 0 0 181.279 2.333 10 30 AEEERN Cc1ccccc1[C@@H](O)CCS 259090419 573339732 /nfs/dbraw/zinc/33/97/32/573339732.db2.gz JDOYJVXXKGRABQ-JTQLQIEISA-N 0 0 182.288 2.348 10 30 AEEERN CC(C)C[C@H](C#N)c1cccnn1 259086742 573339741 /nfs/dbraw/zinc/33/97/41/573339741.db2.gz IVTFTNVWWGUEQY-SECBINFHSA-N 0 0 175.235 2.130 10 30 AEEERN CCCCCCNC1=CC(=O)CC1 132723543 573339772 /nfs/dbraw/zinc/33/97/72/573339772.db2.gz VGSVKRJFKMDCGF-UHFFFAOYSA-N 0 0 181.279 2.403 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H]1CCC1(F)F 308350511 573339939 /nfs/dbraw/zinc/33/99/39/573339939.db2.gz XXUPRJRUQIQOCB-RQJHMYQMSA-N 0 0 190.189 2.149 10 30 AEEERN CC[C@@H](C#N)[C@@H](N)c1cccc(F)c1 259423503 573340015 /nfs/dbraw/zinc/34/00/15/573340015.db2.gz MVHOXNHCDVJNIJ-GZMMTYOYSA-N 0 0 192.237 2.375 10 30 AEEERN CC(C)C[C@@H](C)OCCO[C@H](C)C#N 308555338 573340029 /nfs/dbraw/zinc/34/00/29/573340029.db2.gz RWADYYQZZRZDSY-GHMZBOCLSA-N 0 0 199.294 2.366 10 30 AEEERN COc1cc(C(F)F)ncc1CC#N 238355390 573340069 /nfs/dbraw/zinc/34/00/69/573340069.db2.gz UFRQAARGKLYLBF-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C=CCOc1nc(F)c(F)cc1F 236174218 573340192 /nfs/dbraw/zinc/34/01/92/573340192.db2.gz NPOKOQJCNJCCQR-UHFFFAOYSA-N 0 0 189.136 2.064 10 30 AEEERN O[C@H](CS)c1c[nH]c2ccccc12 259091480 573340416 /nfs/dbraw/zinc/34/04/16/573340416.db2.gz GUTXDFRPJDJGKM-SNVBAGLBSA-N 0 0 193.271 2.131 10 30 AEEERN C=CCN[C@@]1(C#N)CC(C)(C)C[C@@H]1C 235560753 573340455 /nfs/dbraw/zinc/34/04/55/573340455.db2.gz YJXMAFFBNZJDLV-CMPLNLGQSA-N 0 0 192.306 2.480 10 30 AEEERN CC(C)(C=O)c1cccc(F)c1F 107087302 573340682 /nfs/dbraw/zinc/34/06/82/573340682.db2.gz FIRDUADIZDJDTD-UHFFFAOYSA-N 0 0 184.185 2.441 10 30 AEEERN CC(C)(C#N)C(=O)Nc1cccs1 259090524 573340812 /nfs/dbraw/zinc/34/08/12/573340812.db2.gz YSEIDJBZOREBHV-UHFFFAOYSA-N 0 0 194.259 2.236 10 30 AEEERN CC[C@H](C)N[C@H](C#N)C1CCCC1 50272601 573341212 /nfs/dbraw/zinc/34/12/12/573341212.db2.gz RNVWFQBXZZIDSZ-GXSJLCMTSA-N 0 0 180.295 2.457 10 30 AEEERN C#C[C@H](C)Oc1ccc(C#N)cc1F 235565581 573343182 /nfs/dbraw/zinc/34/31/82/573343182.db2.gz UABPKXXBSMARDS-QMMMGPOBSA-N 0 0 189.189 2.098 10 30 AEEERN C#C[C@H](C)OCc1cc(Cl)ccn1 235565192 573341375 /nfs/dbraw/zinc/34/13/75/573341375.db2.gz NXYPFKFIKGMZJF-QMMMGPOBSA-N 0 0 195.649 2.273 10 30 AEEERN CC(C)CN[C@@H](C#N)C1CCCC1 50272500 573343188 /nfs/dbraw/zinc/34/31/88/573343188.db2.gz MNWAEYQSXFOPSN-NSHDSACASA-N 0 0 180.295 2.314 10 30 AEEERN Cc1ccc2c(c1)C[C@@H](C#N)CCN2 259609067 573342865 /nfs/dbraw/zinc/34/28/65/573342865.db2.gz FRDCNTZNEIBKGG-JTQLQIEISA-N 0 0 186.258 2.493 10 30 AEEERN Cc1ccccc1[C@H](O)CCS 259090422 573342927 /nfs/dbraw/zinc/34/29/27/573342927.db2.gz JDOYJVXXKGRABQ-SNVBAGLBSA-N 0 0 182.288 2.348 10 30 AEEERN C=C(CC(=O)OC)[C@H]1CCCS1 258288287 573342928 /nfs/dbraw/zinc/34/29/28/573342928.db2.gz TVCFEJSVUOQFNM-MRVPVSSYSA-N 0 0 186.276 2.001 10 30 AEEERN COc1nc(C(F)F)cc(C#N)c1C 238362875 573342964 /nfs/dbraw/zinc/34/29/64/573342964.db2.gz HXILKVRAPSDPCB-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN N#Cc1cccc(NC2CC=CC2)c1N 135548688 573343017 /nfs/dbraw/zinc/34/30/17/573343017.db2.gz SBBAGQKOANTFJD-UHFFFAOYSA-N 0 0 199.257 2.271 10 30 AEEERN CC(C)(C=O)c1ccsc1 107087773 573343898 /nfs/dbraw/zinc/34/38/98/573343898.db2.gz DBGBUYYURDOTBX-UHFFFAOYSA-N 0 0 154.234 2.225 10 30 AEEERN C=CCC(=C)CCCCO 143673172 573343984 /nfs/dbraw/zinc/34/39/84/573343984.db2.gz OEWNTKWFUIYYCB-UHFFFAOYSA-N 0 0 140.226 2.281 10 30 AEEERN COc1c(C)ccc(CC=O)c1C 238362717 573344374 /nfs/dbraw/zinc/34/43/74/573344374.db2.gz AFNVOXQQSQRLJF-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN N#Cc1cc(NC2CC=CC2)ccc1N 135548716 573344399 /nfs/dbraw/zinc/34/43/99/573344399.db2.gz BPWWNAIGUPFEKB-UHFFFAOYSA-N 0 0 199.257 2.271 10 30 AEEERN CCC[C@@H]1[C@H](CC)[C@@H](O)[C@]1(C=O)CC 308353789 573344446 /nfs/dbraw/zinc/34/44/46/573344446.db2.gz OVBNNLGNASMPRH-QCNOEVLYSA-N 0 0 198.306 2.399 10 30 AEEERN Cc1ccc2c(c1)C[C@H](C#N)CCN2 259609069 573344466 /nfs/dbraw/zinc/34/44/66/573344466.db2.gz FRDCNTZNEIBKGG-SNVBAGLBSA-N 0 0 186.258 2.493 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)C1CCCC1 50272599 573345358 /nfs/dbraw/zinc/34/53/58/573345358.db2.gz RNVWFQBXZZIDSZ-ONGXEEELSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)C1CCCC1 50272598 573345137 /nfs/dbraw/zinc/34/51/37/573345137.db2.gz RNVWFQBXZZIDSZ-KOLCDFICSA-N 0 0 180.295 2.457 10 30 AEEERN C=C(C)CN[C@@H](C#N)c1ccccc1 308557017 573345227 /nfs/dbraw/zinc/34/52/27/573345227.db2.gz ZXCIQSIYRBIBEW-LBPRGKRZSA-N 0 0 186.258 2.417 10 30 AEEERN C#CCON[C@H](C)c1cccc(C)c1 308557938 573345232 /nfs/dbraw/zinc/34/52/32/573345232.db2.gz CHDQGEKDGCPRDC-LLVKDONJSA-N 0 0 189.258 2.210 10 30 AEEERN C=CCC(=O)c1ccncc1CC 132807095 573345265 /nfs/dbraw/zinc/34/52/65/573345265.db2.gz BNUFIIKKYGIWDF-UHFFFAOYSA-N 0 0 175.231 2.403 10 30 AEEERN C=CC[C@H](C)C(=O)[C@]1(C)CCCO1 715775456 573345467 /nfs/dbraw/zinc/34/54/67/573345467.db2.gz SOBGTKKJBJUVAR-ONGXEEELSA-N 0 0 182.263 2.337 10 30 AEEERN C=CCCC1([C@H](C)O)CC1 235567867 573345544 /nfs/dbraw/zinc/34/55/44/573345544.db2.gz QBJWGDJSSFEZDI-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN O=C[C@@H]1COc2cccc(Cl)c21 258288566 573345551 /nfs/dbraw/zinc/34/55/51/573345551.db2.gz ZZWPOFJPTHLMQB-ZCFIWIBFSA-N 0 0 182.606 2.015 10 30 AEEERN C=CC[C@H](C)C(=O)C[C@@H]1CCCO1 715775712 573345762 /nfs/dbraw/zinc/34/57/62/573345762.db2.gz UNRWCFBUVCPSJE-UWVGGRQHSA-N 0 0 182.263 2.337 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H](C)[C@H](C)C=C 308351118 573346826 /nfs/dbraw/zinc/34/68/26/573346826.db2.gz YMIBBOJYBCFBBF-UTLUCORTSA-N 0 0 181.279 2.135 10 30 AEEERN C=CC[C@H](C)C(=O)c1ccncc1 715775382 573346431 /nfs/dbraw/zinc/34/64/31/573346431.db2.gz SLWIBXJSXCFHEM-VIFPVBQESA-N 0 0 175.231 2.477 10 30 AEEERN O=CC1(c2cccc(F)c2F)CC1 107087691 573346515 /nfs/dbraw/zinc/34/65/15/573346515.db2.gz IBQOFFIWBZYPRI-UHFFFAOYSA-N 0 0 182.169 2.195 10 30 AEEERN N#CC1(C(=O)c2cccc(F)c2)CC1 259091914 573346680 /nfs/dbraw/zinc/34/66/80/573346680.db2.gz GLTZPLNATZKNMY-UHFFFAOYSA-N 0 0 189.189 2.312 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)C1CCCC1 50272600 573346800 /nfs/dbraw/zinc/34/68/00/573346800.db2.gz RNVWFQBXZZIDSZ-MWLCHTKSSA-N 0 0 180.295 2.457 10 30 AEEERN C=CCOc1ccc(/C=C\CO)cc1 211944979 573348712 /nfs/dbraw/zinc/34/87/12/573348712.db2.gz QXXPCJUNAWDLPY-ARJAWSKDSA-N 0 0 190.242 2.257 10 30 AEEERN CC[C@H](C#N)NC[C@@H]1CCCSC1 308359356 573348781 /nfs/dbraw/zinc/34/87/81/573348781.db2.gz LRMNCVFUTAHJRG-VHSXEESVSA-N 0 0 198.335 2.021 10 30 AEEERN Cc1cccc(C2(CS)COC2)c1 258636695 573348804 /nfs/dbraw/zinc/34/88/04/573348804.db2.gz CNJCSQIUTCZUEV-UHFFFAOYSA-N 0 0 194.299 2.193 10 30 AEEERN Cc1cc(C)c2cc(C#N)nc-2[nH]1 259424256 573348894 /nfs/dbraw/zinc/34/88/94/573348894.db2.gz SRHTUTQRRNDUTG-UHFFFAOYSA-N 0 0 171.203 2.051 10 30 AEEERN C=C(F)C(=O)c1ccc(COC)cc1 39055127 573348909 /nfs/dbraw/zinc/34/89/09/573348909.db2.gz YPOVZCKVDICOOM-UHFFFAOYSA-N 0 0 194.205 2.499 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)C=C 308351115 573348923 /nfs/dbraw/zinc/34/89/23/573348923.db2.gz YMIBBOJYBCFBBF-GUBZILKMSA-N 0 0 181.279 2.135 10 30 AEEERN CCCCCCC[C@](C)(O)CO 132885308 573348992 /nfs/dbraw/zinc/34/89/92/573348992.db2.gz WNWOGGKWMFOVMT-JTQLQIEISA-N 0 0 174.284 2.090 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1cccs1 308357945 573349002 /nfs/dbraw/zinc/34/90/02/573349002.db2.gz LFBGYBMTZVDYME-QMMMGPOBSA-N 0 0 194.255 2.317 10 30 AEEERN COc1cc(F)cc(C2(C#N)CC2)c1 238364913 573349209 /nfs/dbraw/zinc/34/92/09/573349209.db2.gz PBHPPWDPUMXHDB-UHFFFAOYSA-N 0 0 191.205 2.389 10 30 AEEERN Cc1ccc([C@@H](C)CC=O)c(O)c1 258006256 573349331 /nfs/dbraw/zinc/34/93/31/573349331.db2.gz MLDMTBRKVMBIFE-VIFPVBQESA-N 0 0 178.231 2.393 10 30 AEEERN O=CCCc1cccc2c1CCS2 258006189 573350396 /nfs/dbraw/zinc/35/03/96/573350396.db2.gz GZEGWPUYIMNRLE-UHFFFAOYSA-N 0 0 192.283 2.466 10 30 AEEERN COC1=C(C(C)=O)CCCC1 238365875 573351095 /nfs/dbraw/zinc/35/10/95/573351095.db2.gz YAQYPXVLRYJRKF-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN COC1=C(C(C)C)C(=O)C1(C)C 238365947 573351135 /nfs/dbraw/zinc/35/11/35/573351135.db2.gz MXFNBFYEJIEVQX-UHFFFAOYSA-N 0 0 168.236 2.152 10 30 AEEERN Cc1cccc(C2(C#N)CC(=O)C2)c1 82999520 573351356 /nfs/dbraw/zinc/35/13/56/573351356.db2.gz NOYSUONRNQKWHC-UHFFFAOYSA-N 0 0 185.226 2.119 10 30 AEEERN C#CCON[C@H](CC)c1ccccc1 308558180 573351505 /nfs/dbraw/zinc/35/15/05/573351505.db2.gz CIQVGFMENXCBRO-GFCCVEGCSA-N 0 0 189.258 2.292 10 30 AEEERN C[C@@](O)(CCC=O)Cc1cccs1 689948011 573351512 /nfs/dbraw/zinc/35/15/12/573351512.db2.gz MXJKNPCRXNPSRA-SNVBAGLBSA-N 0 0 198.287 2.021 10 30 AEEERN C#C[C@H](C)OCc1cccnc1Cl 235570554 573352451 /nfs/dbraw/zinc/35/24/51/573352451.db2.gz BSHMWRNQOOXBIQ-QMMMGPOBSA-N 0 0 195.649 2.273 10 30 AEEERN C=CCCOC(=O)c1[nH]ccc1C 308362325 573352478 /nfs/dbraw/zinc/35/24/78/573352478.db2.gz FEIDPUIMCFGAAM-UHFFFAOYSA-N 0 0 179.219 2.056 10 30 AEEERN C#CCON[C@@H](CC)c1ccccc1 308558181 573352652 /nfs/dbraw/zinc/35/26/52/573352652.db2.gz CIQVGFMENXCBRO-LBPRGKRZSA-N 0 0 189.258 2.292 10 30 AEEERN N#Cc1ccc(NC2CC2)c(F)c1F 236185696 573352837 /nfs/dbraw/zinc/35/28/37/573352837.db2.gz FXOQCAMNHCIFDR-UHFFFAOYSA-N 0 0 194.184 2.411 10 30 AEEERN CCCC(C)(C)[NH2+]C[C@@H](C)C#N 126103107 573352855 /nfs/dbraw/zinc/35/28/55/573352855.db2.gz XYQKSHHGCIDGCQ-VIFPVBQESA-N 0 0 168.284 2.314 10 30 AEEERN C[C@H](C#CCCc1ccccc1)CO 238368008 573353145 /nfs/dbraw/zinc/35/31/45/573353145.db2.gz MZDFQWFRJZEUKM-GFCCVEGCSA-N 0 0 188.270 2.251 10 30 AEEERN N#Cc1c[nH]c(C=O)c1C1CCCC1 259609242 573354206 /nfs/dbraw/zinc/35/42/06/573354206.db2.gz FVFBGOJTPMGCSQ-UHFFFAOYSA-N 0 0 188.230 2.356 10 30 AEEERN CO[C@@H]1C[C@@H]2C[C@@H](C=O)C(C)(C)[C@@H]2C1 238366943 573354264 /nfs/dbraw/zinc/35/42/64/573354264.db2.gz GBWDVPPJRSXNCI-UKKRHICBSA-N 0 0 196.290 2.273 10 30 AEEERN Cc1cc(C#N)cc(CC#N)c1C 258009929 573354517 /nfs/dbraw/zinc/35/45/17/573354517.db2.gz MUIWEKQOBZYUEL-UHFFFAOYSA-N 0 0 170.215 2.241 10 30 AEEERN C#CCCCC(=O)O[C@@H](C=C)CC 308357381 573354527 /nfs/dbraw/zinc/35/45/27/573354527.db2.gz LCVZAOVOUQGQJD-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN CO[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1C=O 238366877 573354638 /nfs/dbraw/zinc/35/46/38/573354638.db2.gz ZPUIFCSDLIXELA-XWLWVQCSSA-N 0 0 182.263 2.027 10 30 AEEERN CC[C@H](C)C[NH2+]Cc1ccc(C#N)o1 135560009 573354664 /nfs/dbraw/zinc/35/46/64/573354664.db2.gz MRFUPQHCGSVPFU-VIFPVBQESA-N 0 0 192.262 2.287 10 30 AEEERN COc1ccc2c(C#N)c[nH]c2c1F 238367120 573354668 /nfs/dbraw/zinc/35/46/68/573354668.db2.gz JUJXFUXIMHTQAI-UHFFFAOYSA-N 0 0 190.177 2.187 10 30 AEEERN COc1c(C)cnc(C(F)F)c1C#N 238367379 573354741 /nfs/dbraw/zinc/35/47/41/573354741.db2.gz LNPBMPKJOGXGJI-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN COC1=C(C)C[C@@](C)(CC=O)C=C1 238367184 573354845 /nfs/dbraw/zinc/35/48/45/573354845.db2.gz WRWNOFKPGNTZSL-LLVKDONJSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCC[C@@H](O)c1ccncc1C 132838318 573355110 /nfs/dbraw/zinc/35/51/10/573355110.db2.gz KJTQYCYRDCRFKR-LLVKDONJSA-N 0 0 177.247 2.390 10 30 AEEERN C#CCC[C@H](O)c1ccncc1CC 132858843 573354960 /nfs/dbraw/zinc/35/49/60/573354960.db2.gz NMIYMABUYVOBRF-LBPRGKRZSA-N 0 0 189.258 2.091 10 30 AEEERN C#CCCCC(=O)O[C@H](C=C)CC 308357382 573354997 /nfs/dbraw/zinc/35/49/97/573354997.db2.gz LCVZAOVOUQGQJD-SNVBAGLBSA-N 0 0 180.247 2.298 10 30 AEEERN C=CCc1cccc(OC)c1C#N 238367744 573355092 /nfs/dbraw/zinc/35/50/92/573355092.db2.gz QJICRIJVLSCDNR-UHFFFAOYSA-N 0 0 173.215 2.295 10 30 AEEERN COc1cccc(CC#N)c1SC 238367106 573355096 /nfs/dbraw/zinc/35/50/96/573355096.db2.gz MMYVRWYQWWNBGR-UHFFFAOYSA-N 0 0 193.271 2.483 10 30 AEEERN C=CC[N@@H+](C)Cc1cccc(N)c1F 308561048 573355141 /nfs/dbraw/zinc/35/51/41/573355141.db2.gz FGNSPRIVAZDMOX-UHFFFAOYSA-N 0 0 194.253 2.026 10 30 AEEERN CC[C@@H](C)C[NH2+]Cc1ccc(C#N)o1 135559989 573355172 /nfs/dbraw/zinc/35/51/72/573355172.db2.gz MRFUPQHCGSVPFU-SECBINFHSA-N 0 0 192.262 2.287 10 30 AEEERN COc1c(C)cnc(C#N)c1C(F)F 238367309 573355189 /nfs/dbraw/zinc/35/51/89/573355189.db2.gz RBZXGHAHMWHBEA-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN Cc1ccc(C)c(CCC=O)c1O 258009991 573355666 /nfs/dbraw/zinc/35/56/66/573355666.db2.gz MWGHBLWVOQGYTR-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN C=C(C)CC[NH2+]CCCCCC(=O)[O-] 308561925 573355699 /nfs/dbraw/zinc/35/56/99/573355699.db2.gz FSTMCGGWMVFFGM-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN COc1nc(C(F)F)ccc1CC#N 238367438 573355748 /nfs/dbraw/zinc/35/57/48/573355748.db2.gz NRUVVJVCTFGWTF-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C#C[C@H](C)Oc1ccccc1C(C)=O 235569699 573355829 /nfs/dbraw/zinc/35/58/29/573355829.db2.gz HUOLEZHRFQAOBW-VIFPVBQESA-N 0 0 188.226 2.290 10 30 AEEERN N#Cc1cc2sccc2c(N)c1F 307132980 573355913 /nfs/dbraw/zinc/35/59/13/573355913.db2.gz WHJUGHPETPTMIY-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN Cc1ccccc1NC[C@H](C)C=O 238367305 573356036 /nfs/dbraw/zinc/35/60/36/573356036.db2.gz REOGWSHJONRBLU-VIFPVBQESA-N 0 0 177.247 2.242 10 30 AEEERN CC(=O)/C(N)=C\c1ccc(Cl)cc1 214865295 573356858 /nfs/dbraw/zinc/35/68/58/573356858.db2.gz KPVRWTDSJUJEEX-UXBLZVDNSA-N 0 0 195.649 2.229 10 30 AEEERN Cc1ncsc1C=NNC(C)(C)C 308362744 573358018 /nfs/dbraw/zinc/35/80/18/573358018.db2.gz FKBQTRHNFRZMFI-UHFFFAOYSA-N 0 0 197.307 2.174 10 30 AEEERN C#C[C@H](C)Oc1ccc(C=O)cc1C 235572819 573358058 /nfs/dbraw/zinc/35/80/58/573358058.db2.gz MLMDUZWXNISAKJ-JTQLQIEISA-N 0 0 188.226 2.208 10 30 AEEERN Cc1c(CC(C)(C)C)noc1C#N 259425930 573358083 /nfs/dbraw/zinc/35/80/83/573358083.db2.gz IXQKNPVXXYWZQH-UHFFFAOYSA-N 0 0 178.235 2.443 10 30 AEEERN COC(=O)/C(C)=C/CC[C@@H](C)CC=O 308362983 573358716 /nfs/dbraw/zinc/35/87/16/573358716.db2.gz CVXNZMGDZSQVGP-ZFZMKPAXSA-N 0 0 198.262 2.111 10 30 AEEERN Cc1cc2c(CC=O)cccc2[nH]1 258010126 573358197 /nfs/dbraw/zinc/35/81/97/573358197.db2.gz IYYDWJBOJNLEEP-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN O=CCc1csc2c(O)cccc12 258010377 573358406 /nfs/dbraw/zinc/35/84/06/573358406.db2.gz CQDVYEPGYIFQNS-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN SCc1cccc2c1NCC2 258294857 573358482 /nfs/dbraw/zinc/35/84/82/573358482.db2.gz VZWXJIXLMACBAD-UHFFFAOYSA-N 0 0 165.261 2.084 10 30 AEEERN SCc1cccc2c1NCCC2 258311274 573358501 /nfs/dbraw/zinc/35/85/01/573358501.db2.gz XAUXSTZAIOXPEA-UHFFFAOYSA-N 0 0 179.288 2.475 10 30 AEEERN N#Cc1ccc(-c2ccc(N)s2)[nH]1 259425778 573358659 /nfs/dbraw/zinc/35/86/59/573358659.db2.gz IRTBTICVEKVZAX-UHFFFAOYSA-N 0 0 189.243 2.197 10 30 AEEERN Cc1ncsc1C=NOC1CCC1 308363068 573360805 /nfs/dbraw/zinc/36/08/05/573360805.db2.gz FPHHFOSPLCQGET-UHFFFAOYSA-N 0 0 196.275 2.355 10 30 AEEERN C=C(C)CCn1cc(C(C)=O)nc1C 308562810 573360208 /nfs/dbraw/zinc/36/02/08/573360208.db2.gz XADDCKWABBBSHX-UHFFFAOYSA-N 0 0 192.262 2.360 10 30 AEEERN C#CCN(C)C(=O)C(CCC)CCC 133006758 573360269 /nfs/dbraw/zinc/36/02/69/573360269.db2.gz CHAOPPPNCJVTQC-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN CCC(C=NN[C@@H](C)CC#N)CC 308362552 573360326 /nfs/dbraw/zinc/36/03/26/573360326.db2.gz MRRZUGDIAFQKHL-VIFPVBQESA-N 0 0 181.283 2.300 10 30 AEEERN COc1c(Cl)cnc(CC#N)c1C 214861993 573360356 /nfs/dbraw/zinc/36/03/56/573360356.db2.gz KHDMSGKURYDDFQ-UHFFFAOYSA-N 0 0 196.637 2.118 10 30 AEEERN C=CC/N=C/c1ccc(O)c(OC)c1 308364120 573360378 /nfs/dbraw/zinc/36/03/78/573360378.db2.gz FYMGWDDSNRRASX-XYOKQWHBSA-N 0 0 191.230 2.006 10 30 AEEERN COc1c(C#N)cc(C(F)F)nc1C 238369227 573360395 /nfs/dbraw/zinc/36/03/95/573360395.db2.gz ZPOXDYIGEVRWIP-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN Cc1ccc(C)c([C@@H](O)CCC=O)c1 308563328 573360403 /nfs/dbraw/zinc/36/04/03/573360403.db2.gz XFSVUDRRRDBCQR-LBPRGKRZSA-N 0 0 192.258 2.316 10 30 AEEERN C=C[C@@H](C)C1=C(OC)CCC1=O 238369035 573360411 /nfs/dbraw/zinc/36/04/11/573360411.db2.gz AUTGDYDTCXGELA-SSDOTTSWSA-N 0 0 166.220 2.072 10 30 AEEERN O=CCC[C@]1(O)CCC[C@H](C2CC2)C1 308562614 573360486 /nfs/dbraw/zinc/36/04/86/573360486.db2.gz WXWDUDGVLGOGHH-NWDGAFQWSA-N 0 0 196.290 2.297 10 30 AEEERN C#C[C@H](C)Oc1ccc(C=O)c(C)c1 235572460 573360490 /nfs/dbraw/zinc/36/04/90/573360490.db2.gz QQLULHVYZDFNMJ-JTQLQIEISA-N 0 0 188.226 2.208 10 30 AEEERN CCC[C@@H]1[C@H](C=O)[C@H]1C(=O)C(C)(C)C 308365163 573360507 /nfs/dbraw/zinc/36/05/07/573360507.db2.gz IFSYGEVBWYBDCR-UTLUCORTSA-N 0 0 196.290 2.463 10 30 AEEERN CCC(C=NN[C@H](C)CC#N)CC 308362549 573360556 /nfs/dbraw/zinc/36/05/56/573360556.db2.gz MRRZUGDIAFQKHL-SECBINFHSA-N 0 0 181.283 2.300 10 30 AEEERN C=C[C@H](C)C(Cl)(Cl)C=O 238368967 573360603 /nfs/dbraw/zinc/36/06/03/573360603.db2.gz FJAUILNBWQXWDT-YFKPBYRVSA-N 0 0 167.035 2.181 10 30 AEEERN COCCCNc1ccc(C#N)s1 308368314 573362908 /nfs/dbraw/zinc/36/29/08/573362908.db2.gz PBLCYKYWCIPWRH-UHFFFAOYSA-N 0 0 196.275 2.068 10 30 AEEERN CN[C@H](S)c1ccc(C)cc1 259427776 573362596 /nfs/dbraw/zinc/36/25/96/573362596.db2.gz NUUVQKIBJHZVEG-SECBINFHSA-N 0 0 167.277 2.143 10 30 AEEERN CC[C@H](C)ON=C1CCCOCC1 308367649 573362660 /nfs/dbraw/zinc/36/26/60/573362660.db2.gz OSSUIUCICWZVAN-VIFPVBQESA-N 0 0 185.267 2.358 10 30 AEEERN C=CC[S@](=O)CCCCC 112968608 573362751 /nfs/dbraw/zinc/36/27/51/573362751.db2.gz FZWYCWAHWZGRCF-SNVBAGLBSA-N 0 0 160.282 2.111 10 30 AEEERN CC[C@H](C#N)N[C@H]1CC[C@H]1C1CC1 308370018 573362767 /nfs/dbraw/zinc/36/27/67/573362767.db2.gz PULNLARBNCCULS-VWYCJHECSA-N 0 0 178.279 2.067 10 30 AEEERN C=C[C@@H](C)CN(C)C(=O)/C=C\CC 308368965 573364518 /nfs/dbraw/zinc/36/45/18/573364518.db2.gz PKYKUJYHPHOGRJ-GQYWMQPJSA-N 0 0 181.279 2.233 10 30 AEEERN C=CCNc1cccc(OCC)c1N 129613600 573364529 /nfs/dbraw/zinc/36/45/29/573364529.db2.gz JKTSNFOXDBIPDR-UHFFFAOYSA-N 0 0 192.262 2.265 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CC[C@H]1C1CC1 308370005 573364628 /nfs/dbraw/zinc/36/46/28/573364628.db2.gz PULNLARBNCCULS-OUAUKWLOSA-N 0 0 178.279 2.067 10 30 AEEERN CCC[C@@H](C#N)[C@@](C)(O)CC 86326532 573364972 /nfs/dbraw/zinc/36/49/72/573364972.db2.gz FVLQGHPSIMZEBM-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN C=C(C)Cc1cc(OC)ccc1N 238362398 573365100 /nfs/dbraw/zinc/36/51/00/573365100.db2.gz CEZWGXXIAVAHDC-UHFFFAOYSA-N 0 0 177.247 2.396 10 30 AEEERN CCC[C@H](C#N)[C@@]1(O)CCC[C@@H]1C 86327989 573367830 /nfs/dbraw/zinc/36/78/30/573367830.db2.gz CBBYGMASQSMXJT-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN N#Cc1c(Cl)sc2c1COCC2 259428441 573367605 /nfs/dbraw/zinc/36/76/05/573367605.db2.gz TZFOUQNPGHXCLH-UHFFFAOYSA-N 0 0 199.662 2.346 10 30 AEEERN CCCC[C@H](/C=C\C(=O)OC)CC=O 308366524 573367736 /nfs/dbraw/zinc/36/77/36/573367736.db2.gz KRDMHJWHZOOCRL-JYESYGNLSA-N 0 0 198.262 2.111 10 30 AEEERN C=CCCCCCCN1CCNC1=O 308563863 573366921 /nfs/dbraw/zinc/36/69/21/573366921.db2.gz ZBCLBYRBGKUAJW-UHFFFAOYSA-N 0 0 196.294 2.148 10 30 AEEERN C=CC[C@H]1CCC(=O)C=C1OC 238369810 573367031 /nfs/dbraw/zinc/36/70/31/573367031.db2.gz DNCPRAPGVGQWJD-QMMMGPOBSA-N 0 0 166.220 2.072 10 30 AEEERN N#CC1(c2cc(F)cc(F)c2O)CC1 214781970 573367108 /nfs/dbraw/zinc/36/71/08/573367108.db2.gz KZVJIHQBJKOQBQ-UHFFFAOYSA-N 0 0 195.168 2.226 10 30 AEEERN C#Cc1ccc(C#CCCCCO)cc1 238651987 573367161 /nfs/dbraw/zinc/36/71/61/573367161.db2.gz NHMWIPYBNJRMET-UHFFFAOYSA-N 0 0 198.265 2.182 10 30 AEEERN CC(C)(C#N)c1ccc(O)c(F)c1O 214783687 573367193 /nfs/dbraw/zinc/36/71/93/573367193.db2.gz GADVGNZTHZUBBW-UHFFFAOYSA-N 0 0 195.193 2.038 10 30 AEEERN CCC[C@H](C#N)C1(O)CCCC1 86326364 573367800 /nfs/dbraw/zinc/36/78/00/573367800.db2.gz NJFIMROUONNIRS-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN CCn1cc(C#N)c2nc(C)ccc21 259428601 573367263 /nfs/dbraw/zinc/36/72/63/573367263.db2.gz UAQYJYTWCQWUGX-UHFFFAOYSA-N 0 0 185.230 2.236 10 30 AEEERN CCC[C@@H](C#N)C1(O)CCCC1 86326362 573367352 /nfs/dbraw/zinc/36/73/52/573367352.db2.gz NJFIMROUONNIRS-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CCCCCNN=C(C)COCC 308374112 573367499 /nfs/dbraw/zinc/36/74/99/573367499.db2.gz RKNVUYPWVFPTKB-UHFFFAOYSA-N 0 0 186.299 2.179 10 30 AEEERN C=C(CC=O)C1CCCC1 258318367 573367528 /nfs/dbraw/zinc/36/75/28/573367528.db2.gz VYRNQEMAJFPWIZ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN COc1c(C)ncc(C(F)F)c1C#N 238370396 573367675 /nfs/dbraw/zinc/36/76/75/573367675.db2.gz CCKUADSXIIVBIQ-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCCn1c(C#N)cnc1C(C)C 259428607 573367651 /nfs/dbraw/zinc/36/76/51/573367651.db2.gz UARKNYMJMLCSAE-UHFFFAOYSA-N 0 0 177.251 2.288 10 30 AEEERN O=CCc1cc(Cl)cs1 86334745 573367896 /nfs/dbraw/zinc/36/78/96/573367896.db2.gz DWPIOZRVISASBH-UHFFFAOYSA-N 0 0 160.625 2.143 10 30 AEEERN Cc1cc(CCC#N)c(O)c(F)c1O 214785211 573368027 /nfs/dbraw/zinc/36/80/27/573368027.db2.gz XXTSOEIRRNQIGN-UHFFFAOYSA-N 0 0 195.193 2.002 10 30 AEEERN CCC[C@H](C#N)[C@]1(O)CCC[C@@H]1C 86327982 573368031 /nfs/dbraw/zinc/36/80/31/573368031.db2.gz CBBYGMASQSMXJT-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@@H](C#N)[C@](C)(O)CC 86326528 573368111 /nfs/dbraw/zinc/36/81/11/573368111.db2.gz FVLQGHPSIMZEBM-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN C=C(C)[C@H](N)C(F)(F)C(F)(F)F 642831368 573377103 /nfs/dbraw/zinc/37/71/03/573377103.db2.gz GMMIFYOEMGQANK-BYPYZUCNSA-N 0 0 189.127 2.087 10 30 AEEERN Cn1c(C#N)cc2c(C3CC3)ccnc21 259428593 573369042 /nfs/dbraw/zinc/36/90/42/573369042.db2.gz UAQXWWPNHBXPNM-UHFFFAOYSA-N 0 0 197.241 2.322 10 30 AEEERN C=C[C@@H](C)C/C=C/[C@@H](C)O 238380225 573371559 /nfs/dbraw/zinc/37/15/59/573371559.db2.gz XNLHHMRRVAFUBC-LKJMDQPVSA-N 0 0 140.226 2.136 10 30 AEEERN C=CCN(CC)c1cccc(F)n1 308366159 573371601 /nfs/dbraw/zinc/37/16/01/573371601.db2.gz ODLOXHDDAKGVKD-UHFFFAOYSA-N 0 0 180.226 2.233 10 30 AEEERN O=C[C@@H]1Cc2c(F)cccc2S1 258324920 573371680 /nfs/dbraw/zinc/37/16/80/573371680.db2.gz WSRFVZZDLJQNAK-LURJTMIESA-N 0 0 182.219 2.041 10 30 AEEERN CC/C=C(\C)C(=O)O[C@@H](C)CC#N 308366675 573371692 /nfs/dbraw/zinc/37/16/92/573371692.db2.gz OIKOOCTXNDUAHJ-QRJSTWQJSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCc1cccc(/C=N/OC)c1O 308365700 573371709 /nfs/dbraw/zinc/37/17/09/573371709.db2.gz JNUGMNBBTZGZBD-XYOKQWHBSA-N 0 0 191.230 2.101 10 30 AEEERN Cc1coc(C#CCCCCCO)c1 715782150 573371859 /nfs/dbraw/zinc/37/18/59/573371859.db2.gz XCEWJAHUBWTTAW-UHFFFAOYSA-N 0 0 192.258 2.492 10 30 AEEERN Cc1nc2c(s1)[C@@H](C#N)CCC2 117852667 573371912 /nfs/dbraw/zinc/37/19/12/573371912.db2.gz FFUDKNPQBLHKFG-SSDOTTSWSA-N 0 0 178.260 2.395 10 30 AEEERN Cc1cccc2c1C[C@@H](C=O)S2 258320296 573372011 /nfs/dbraw/zinc/37/20/11/573372011.db2.gz WIBLTUQFDIMNNJ-QMMMGPOBSA-N 0 0 178.256 2.211 10 30 AEEERN COc1nc(C)cc(C(F)F)c1C#N 238371048 573372411 /nfs/dbraw/zinc/37/24/11/573372411.db2.gz MRMOCVYTAACNQK-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=C[C@H](C)[C@@H](O)c1ccc(O)cc1 238371256 573372475 /nfs/dbraw/zinc/37/24/75/573372475.db2.gz PLCSUDBQKKSAFD-GZMMTYOYSA-N 0 0 178.231 2.248 10 30 AEEERN COC(=O)/C=C(\C)CCC[C@@H](C)C=O 308365676 573372485 /nfs/dbraw/zinc/37/24/85/573372485.db2.gz JCZTZMDSLHLPHI-TTZKWOQHSA-N 0 0 198.262 2.111 10 30 AEEERN C=CC[C@H](C)C[C@@H](C)CO 238371621 573372546 /nfs/dbraw/zinc/37/25/46/573372546.db2.gz RXKIHHCNRONOOT-DTWKUNHWSA-N 0 0 142.242 2.217 10 30 AEEERN Cc1ccc([C@H](CO)CS)s1 258324141 573372564 /nfs/dbraw/zinc/37/25/64/573372564.db2.gz YCPGYMPLEGWWNW-SSDOTTSWSA-N 0 0 188.317 2.062 10 30 AEEERN C=CCCC(=O)C1(Cl)CC1 117793142 573372575 /nfs/dbraw/zinc/37/25/75/573372575.db2.gz FDMIHXDXTXSYFO-UHFFFAOYSA-N 0 0 158.628 2.293 10 30 AEEERN CSC[C@@H]1CCC(=O)C=C1C 238371694 573372576 /nfs/dbraw/zinc/37/25/76/573372576.db2.gz KPZZXFGWAZPDQX-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CC[C@H](C)[C@@H]1C 83043399 573372623 /nfs/dbraw/zinc/37/26/23/573372623.db2.gz DAZOMPABQLJNIV-UKKRHICBSA-N 0 0 180.295 2.313 10 30 AEEERN C=CCN(CC)c1ncccc1F 308373966 573372720 /nfs/dbraw/zinc/37/27/20/573372720.db2.gz RGXREVZVASKKCE-UHFFFAOYSA-N 0 0 180.226 2.233 10 30 AEEERN C=C(C)C(=O)NC1CCCCCC1 80529825 573372752 /nfs/dbraw/zinc/37/27/52/573372752.db2.gz INRRUWVHYIQPJH-UHFFFAOYSA-N 0 0 181.279 2.402 10 30 AEEERN Cc1cc(O)ccc1[C@@H](C)CC=O 258015855 573372862 /nfs/dbraw/zinc/37/28/62/573372862.db2.gz NNNDIQFHOPQVIR-QMMMGPOBSA-N 0 0 178.231 2.393 10 30 AEEERN O=C(C1=COCC1)C(C1CC1)C1CC1 393663605 573372882 /nfs/dbraw/zinc/37/28/82/573372882.db2.gz BXQFXFXDBHINIR-UHFFFAOYSA-N 0 0 192.258 2.296 10 30 AEEERN C=C[C@H](C)[C@@H](O)C=C(C)C 238370778 573372890 /nfs/dbraw/zinc/37/28/90/573372890.db2.gz PYSWYUCNYVBXPS-IUCAKERBSA-N 0 0 140.226 2.136 10 30 AEEERN O=CCCc1cc2[nH]ccc2cc1F 258016658 573373039 /nfs/dbraw/zinc/37/30/39/573373039.db2.gz HTVNXDGVLSMBOS-UHFFFAOYSA-N 0 0 191.205 2.439 10 30 AEEERN CC1=C(c2ccccn2)CCC1=O 117943256 573373593 /nfs/dbraw/zinc/37/35/93/573373593.db2.gz RRDVDMDPKIMITP-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C=C(CCO)C1CCSCC1 258329537 573373638 /nfs/dbraw/zinc/37/36/38/573373638.db2.gz WYHKLUGDJNTWCJ-UHFFFAOYSA-N 0 0 172.293 2.068 10 30 AEEERN COc1cc(C)c(F)cc1CCC=O 258014296 573373826 /nfs/dbraw/zinc/37/38/26/573373826.db2.gz HRLGDDBFPZFIGV-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CC(C)=CC(=O)c1cccnc1 117873137 573376897 /nfs/dbraw/zinc/37/68/97/573376897.db2.gz LSVAYKSXGPEZFC-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN CC(C)=CC(=O)CC(F)(F)F 117873244 573374772 /nfs/dbraw/zinc/37/47/72/573374772.db2.gz ZDGRNDVCQVXMDB-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN CC(C)=CC(=O)Cc1ccccn1 117873180 573374654 /nfs/dbraw/zinc/37/46/54/573374654.db2.gz KUNFUAYUJLYZPD-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN C=C[C@H](C)[C@@H](O)c1cccc(O)c1 238371281 573374735 /nfs/dbraw/zinc/37/47/35/573374735.db2.gz COUUXMRWYXQDNI-GZMMTYOYSA-N 0 0 178.231 2.248 10 30 AEEERN C=CC[C@@H](C)C[C@@H](C)CO 238371979 573375339 /nfs/dbraw/zinc/37/53/39/573375339.db2.gz RXKIHHCNRONOOT-RKDXNWHRSA-N 0 0 142.242 2.217 10 30 AEEERN CCn1ccc2ccc(CC=O)cc21 258332220 573375406 /nfs/dbraw/zinc/37/54/06/573375406.db2.gz YICNNZZCFXEACZ-UHFFFAOYSA-N 0 0 187.242 2.403 10 30 AEEERN CC[C@@H]1CC[C@H](N[C@@H](C)C#N)[C@@H]1C 83048686 573375410 /nfs/dbraw/zinc/37/54/10/573375410.db2.gz FLGYMVULLIDNBP-ZDCRXTMVSA-N 0 0 180.295 2.313 10 30 AEEERN C=CC/C=C/C[C@@H](C)CO 238372404 573375587 /nfs/dbraw/zinc/37/55/87/573375587.db2.gz WPTVZFLSLTZBDV-VUHVRTRXSA-N 0 0 140.226 2.137 10 30 AEEERN CO[C@H](CS)c1ccccc1 117931859 573375844 /nfs/dbraw/zinc/37/58/44/573375844.db2.gz PRGAQVLOLSFEDM-SECBINFHSA-N 0 0 168.261 2.304 10 30 AEEERN CO[C@](C)(C=O)CC1CCCC1 258641238 573376101 /nfs/dbraw/zinc/37/61/01/573376101.db2.gz YUHQWBLEXZVLFH-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN CC(C)=CC(=O)c1ccoc1 117873428 573376317 /nfs/dbraw/zinc/37/63/17/573376317.db2.gz SQZYQFMMEJWEDP-UHFFFAOYSA-N 0 0 150.177 2.429 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C(C)=C\CC 308375674 573376380 /nfs/dbraw/zinc/37/63/80/573376380.db2.gz SARSUWWQMOOUNN-QROTZFDESA-N 0 0 180.247 2.298 10 30 AEEERN CC(C)=CC(=O)c1ccncc1 117873141 573376487 /nfs/dbraw/zinc/37/64/87/573376487.db2.gz WVUNZESJXDWXQL-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN CC(C)=CC(=O)C[C@H]1CCCO1 117873171 573376526 /nfs/dbraw/zinc/37/65/26/573376526.db2.gz ALFSVEJLTVVZHY-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C(C)=C/CC 308375669 573376677 /nfs/dbraw/zinc/37/66/77/573376677.db2.gz SARSUWWQMOOUNN-DDXVTDLHSA-N 0 0 180.247 2.298 10 30 AEEERN COc1cccc2c1CCC(=NO)C2 308374926 573376761 /nfs/dbraw/zinc/37/67/61/573376761.db2.gz VBDDTBNCOODXFS-UHFFFAOYSA-N 0 0 191.230 2.014 10 30 AEEERN CC[C@@H](C)ON=CC1(OC)CCC1 308375662 573376896 /nfs/dbraw/zinc/37/68/96/573376896.db2.gz SALRXNALMYQING-SECBINFHSA-N 0 0 185.267 2.356 10 30 AEEERN N#Cc1cccc(CC(F)F)c1 258017839 573376947 /nfs/dbraw/zinc/37/69/47/573376947.db2.gz NRZXOQNPWZLBTI-UHFFFAOYSA-N 0 0 167.158 2.366 10 30 AEEERN CC(=O)[C@@H](C)CC[C@@H]1OC1(C)C 238373295 573376999 /nfs/dbraw/zinc/37/69/99/573376999.db2.gz NJWNABURHSJTJA-CBAPKCEASA-N 0 0 170.252 2.169 10 30 AEEERN CO[C@@H](C=O)C1=C(C)CCCC1 238373469 573377020 /nfs/dbraw/zinc/37/70/20/573377020.db2.gz GXINFJHJGHDZDR-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CO[C@@H]1[C@H](c2ccccc2)[C@@]1(C)C=O 238372413 573377041 /nfs/dbraw/zinc/37/70/41/573377041.db2.gz OQFLWXLYSCAVBS-QJPTWQEYSA-N 0 0 190.242 2.004 10 30 AEEERN CC(C)=CC(=O)Cc1ccncc1 117873337 573377080 /nfs/dbraw/zinc/37/70/80/573377080.db2.gz SGASVQULFYTACW-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN C=C[C@@H](O)CCc1ccc(C)o1 238468297 573377867 /nfs/dbraw/zinc/37/78/67/573377867.db2.gz VVCORKTXFFFCSB-SECBINFHSA-N 0 0 166.220 2.068 10 30 AEEERN Cc1ccc(C=NNCC2CC2)s1 308375740 573377107 /nfs/dbraw/zinc/37/71/07/573377107.db2.gz NMJMBYNXJOWIMY-UHFFFAOYSA-N 0 0 194.303 2.390 10 30 AEEERN COC1=CC(C)(C)C(=O)C=C1C 238373131 573377112 /nfs/dbraw/zinc/37/71/12/573377112.db2.gz SFQLWRODRPYLBM-UHFFFAOYSA-N 0 0 166.220 2.072 10 30 AEEERN CCSCC(=O)C=C(C)C 117873494 573377121 /nfs/dbraw/zinc/37/71/21/573377121.db2.gz FIPFLFLGSDFYCS-UHFFFAOYSA-N 0 0 158.266 2.275 10 30 AEEERN CC(C)C[C@@H](C=O)C1CC1 107156654 573377134 /nfs/dbraw/zinc/37/71/34/573377134.db2.gz DITVBTOBKOUJTD-VIFPVBQESA-N 0 0 140.226 2.258 10 30 AEEERN O=CCC(C1CC1)C1CC1 107156311 573377351 /nfs/dbraw/zinc/37/73/51/573377351.db2.gz YQFLGJYGKTWXCZ-UHFFFAOYSA-N 0 0 138.210 2.012 10 30 AEEERN CCCCCNN=C[C@@H](C)COC 308376183 573377435 /nfs/dbraw/zinc/37/74/35/573377435.db2.gz SILHYWBEYBCRFK-SNVBAGLBSA-N 0 0 186.299 2.035 10 30 AEEERN CC[C@H](C=O)CC1CC1 107155964 573377534 /nfs/dbraw/zinc/37/75/34/573377534.db2.gz WBKSIOZLOANFEB-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN COc1ccc(C)cc1[C@@H]1C[C@H]1C=O 238373113 573377585 /nfs/dbraw/zinc/37/75/85/573377585.db2.gz SFHUMADBSPFBKA-VHSXEESVSA-N 0 0 190.242 2.306 10 30 AEEERN CCC[C@@H](C=O)C1CC1 107155958 573377594 /nfs/dbraw/zinc/37/75/94/573377594.db2.gz IXERYSHBMDNPRX-QMMMGPOBSA-N 0 0 126.199 2.012 10 30 AEEERN CC(C)[C@@H](C=O)CC1CC1 107156639 573377608 /nfs/dbraw/zinc/37/76/08/573377608.db2.gz FTPWUTBWSJUPDL-SECBINFHSA-N 0 0 140.226 2.258 10 30 AEEERN O=C[C@@H](CC1CC1)C1CC1 107156308 573377720 /nfs/dbraw/zinc/37/77/20/573377720.db2.gz FCSCXKHQYFAGMA-SECBINFHSA-N 0 0 138.210 2.012 10 30 AEEERN Cc1[nH]c(C2(C#N)CC2)nc1C(C)C 258493021 573377825 /nfs/dbraw/zinc/37/78/25/573377825.db2.gz DAHNQQSYRFIAEG-UHFFFAOYSA-N 0 0 189.262 2.397 10 30 AEEERN CC(C)=CC(=O)Cc1cccnc1 117873334 573377891 /nfs/dbraw/zinc/37/78/91/573377891.db2.gz OPZGGNHAHVYWOA-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN CC(C)C[C@H](C=O)C1CC1 107156656 573378012 /nfs/dbraw/zinc/37/80/12/573378012.db2.gz DITVBTOBKOUJTD-SECBINFHSA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)=CC(=O)C(C)C 117873176 573378052 /nfs/dbraw/zinc/37/80/52/573378052.db2.gz DUUWYUKZDYZHDP-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN CCC1(CC)C[C@@H]1C=O 107155952 573378179 /nfs/dbraw/zinc/37/81/79/573378179.db2.gz WGRVNPSPBGJQRH-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN CC(C)[C@H](C=O)CC1CC1 107156637 573378192 /nfs/dbraw/zinc/37/81/92/573378192.db2.gz FTPWUTBWSJUPDL-VIFPVBQESA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)=CC(=O)C[C@@H]1CCCO1 117873169 573378279 /nfs/dbraw/zinc/37/82/79/573378279.db2.gz ALFSVEJLTVVZHY-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN C=C(CCO)c1ccc(Cl)o1 258329457 573378327 /nfs/dbraw/zinc/37/83/27/573378327.db2.gz WXEZJBJQBRFYLP-UHFFFAOYSA-N 0 0 172.611 2.329 10 30 AEEERN CC(C)O[C@H](C)CCC#N 78043676 573378375 /nfs/dbraw/zinc/37/83/75/573378375.db2.gz UAQRBLLTQLQOQJ-MRVPVSSYSA-N 0 0 141.214 2.104 10 30 AEEERN CC(C)=CC(=O)c1ccco1 117873354 573378421 /nfs/dbraw/zinc/37/84/21/573378421.db2.gz HVKFKIBAWGEBGJ-UHFFFAOYSA-N 0 0 150.177 2.429 10 30 AEEERN N#CC1(c2ccccc2O)CCC1 117876324 573378439 /nfs/dbraw/zinc/37/84/39/573378439.db2.gz QLESFRQLPHMLBJ-UHFFFAOYSA-N 0 0 173.215 2.337 10 30 AEEERN COc1c(C#N)ccc(F)c1C 258017932 573378481 /nfs/dbraw/zinc/37/84/81/573378481.db2.gz NVBVKWLXJDYIIA-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN N#CC1(C2(C3CCC3)COC2)CC1 259093716 573380422 /nfs/dbraw/zinc/38/04/22/573380422.db2.gz DZRVYHNULYHRIO-UHFFFAOYSA-N 0 0 177.247 2.107 10 30 AEEERN CC(C)O[C@@H](C)CCC#N 78043674 573380574 /nfs/dbraw/zinc/38/05/74/573380574.db2.gz UAQRBLLTQLQOQJ-QMMMGPOBSA-N 0 0 141.214 2.104 10 30 AEEERN C=C[C@H](C)[C@H](O)C=C(C)C 238373728 573380477 /nfs/dbraw/zinc/38/04/77/573380477.db2.gz PYSWYUCNYVBXPS-DTWKUNHWSA-N 0 0 140.226 2.136 10 30 AEEERN C#CC[C@@H](CC)N[C@H](C)C(F)(F)F 308377470 573381358 /nfs/dbraw/zinc/38/13/58/573381358.db2.gz SXMLFDHBGFYZLZ-HTQZYQBOSA-N 0 0 193.212 2.329 10 30 AEEERN COc1cccc(F)c1C1(C#N)CC1 238374951 573381511 /nfs/dbraw/zinc/38/15/11/573381511.db2.gz BDDINLHQCKXDSI-UHFFFAOYSA-N 0 0 191.205 2.389 10 30 AEEERN CC[C@@H](C)NN=CC(C)(C)COC 308371289 573381603 /nfs/dbraw/zinc/38/16/03/573381603.db2.gz QIXBNBQQCMKOOS-SECBINFHSA-N 0 0 186.299 2.033 10 30 AEEERN C#CC[C@H](CC)NC(=O)/C(C)=C/CC 308377697 573382676 /nfs/dbraw/zinc/38/26/76/573382676.db2.gz BRBAQUYKBBZCHP-UQSGXBNBSA-N 0 0 193.290 2.261 10 30 AEEERN Cc1occc1CN[C@H](C)[C@H](C)C#N 308566599 573382597 /nfs/dbraw/zinc/38/25/97/573382597.db2.gz ATYAZPFZMPLARS-RKDXNWHRSA-N 0 0 192.262 2.226 10 30 AEEERN C=C(CC)Cn1cc(C(C)=O)nc1C 308566802 573382611 /nfs/dbraw/zinc/38/26/11/573382611.db2.gz YUWQDIXGHDSQLK-UHFFFAOYSA-N 0 0 192.262 2.360 10 30 AEEERN C=C[C@H](C)[C@H](O)c1ccc(O)cc1 238374182 573382813 /nfs/dbraw/zinc/38/28/13/573382813.db2.gz PLCSUDBQKKSAFD-KWQFWETISA-N 0 0 178.231 2.248 10 30 AEEERN O=CCc1ccc2occc2c1 107159329 573385223 /nfs/dbraw/zinc/38/52/23/573385223.db2.gz DKLBTJODIVECAM-UHFFFAOYSA-N 0 0 160.172 2.174 10 30 AEEERN COC1=CCCC(C)(C)[C@@H]1C=O 238374492 573385277 /nfs/dbraw/zinc/38/52/77/573385277.db2.gz HZJPOCOGOFDDPV-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN CCC[C@](C#N)(NCC1CC1)C1CC1 308567918 573385284 /nfs/dbraw/zinc/38/52/84/573385284.db2.gz ZLNBSWLRWJMPGW-GFCCVEGCSA-N 0 0 192.306 2.458 10 30 AEEERN C=C[C@H](C)c1c(C=O)ccc(O)c1O 238375331 573384933 /nfs/dbraw/zinc/38/49/33/573384933.db2.gz JCQOHPHXXZQEBG-ZETCQYMHSA-N 0 0 192.214 2.200 10 30 AEEERN C=C(C)C[C@@H]1C(=O)CC=C1OC 238374183 573384948 /nfs/dbraw/zinc/38/49/48/573384948.db2.gz RPYKMOHMBZRXRJ-MRVPVSSYSA-N 0 0 166.220 2.072 10 30 AEEERN CC(C)[C@@H](C=O)C(F)(F)F 107158028 573384959 /nfs/dbraw/zinc/38/49/59/573384959.db2.gz JUMGKUUSKRKRRR-RXMQYKEDSA-N 0 0 154.131 2.020 10 30 AEEERN CCc1csc(CCS)n1 259432700 573384986 /nfs/dbraw/zinc/38/49/86/573384986.db2.gz ZEBXAJPWDBGZFI-UHFFFAOYSA-N 0 0 173.306 2.178 10 30 AEEERN Cc1occc1CN[C@@H](C)[C@H](C)C#N 308566596 573385026 /nfs/dbraw/zinc/38/50/26/573385026.db2.gz ATYAZPFZMPLARS-BDAKNGLRSA-N 0 0 192.262 2.226 10 30 AEEERN CC[C@@H](C)N(C)c1cnccc1C#N 135591654 573385161 /nfs/dbraw/zinc/38/51/61/573385161.db2.gz OMOAYRQXIDSPPI-SECBINFHSA-N 0 0 189.262 2.188 10 30 AEEERN CCC(CC)CCC=O 78239660 573387581 /nfs/dbraw/zinc/38/75/81/573387581.db2.gz YWUQLNKFOQQQGJ-UHFFFAOYSA-N 0 0 128.215 2.402 10 30 AEEERN COC1=C[C@H](C)CC(C)(C)C1=O 238377426 573387586 /nfs/dbraw/zinc/38/75/86/573387586.db2.gz IMJFPWQTQMTAHZ-ZETCQYMHSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCc1c(O)ccc(OC)c1C 238376469 573387560 /nfs/dbraw/zinc/38/75/60/573387560.db2.gz JAANKMCHLOQCOA-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 AEEERN O=CCCc1ccc(Cl)o1 107159245 573386622 /nfs/dbraw/zinc/38/66/22/573386622.db2.gz NWOJUJDCJJMKGC-UHFFFAOYSA-N 0 0 158.584 2.065 10 30 AEEERN C=C(CO)Cc1cccc(C)c1 258011715 573386810 /nfs/dbraw/zinc/38/68/10/573386810.db2.gz BBTZWRGHJRLVNQ-UHFFFAOYSA-N 0 0 162.232 2.086 10 30 AEEERN CC(C=O)=C([O-])c1cc(C)ccc1C 238376831 573386971 /nfs/dbraw/zinc/38/69/71/573386971.db2.gz WZRJJLPDBJQHDE-JTQLQIEISA-N 0 0 190.242 2.321 10 30 AEEERN CC[C@@H](C=O)c1ccc(C)nc1 107160095 573386977 /nfs/dbraw/zinc/38/69/77/573386977.db2.gz ABBXTQKWDCLBSA-VIFPVBQESA-N 0 0 163.220 2.083 10 30 AEEERN C[C@@H](CC=O)c1ccc(O)cc1 107160203 573387011 /nfs/dbraw/zinc/38/70/11/573387011.db2.gz BKPJQFDFPCNZMW-QMMMGPOBSA-N 0 0 164.204 2.085 10 30 AEEERN C=C(C)[C@H]1CCC(=O)[C@@H]1CCCCO 238144651 573387079 /nfs/dbraw/zinc/38/70/79/573387079.db2.gz FDDSLHNNXBTVBF-GHMZBOCLSA-N 0 0 196.290 2.320 10 30 AEEERN CC(C=O)=C([O-])c1cccc(C)c1 238376931 573387082 /nfs/dbraw/zinc/38/70/82/573387082.db2.gz VXANZRZHMKZHAM-VIFPVBQESA-N 0 0 176.215 2.013 10 30 AEEERN CC(C)[C@@H](C=O)c1ccncc1 107160105 573387169 /nfs/dbraw/zinc/38/71/69/573387169.db2.gz RXCIQRVQPPJWPJ-SNVBAGLBSA-N 0 0 163.220 2.020 10 30 AEEERN COC1=C[C@@H](C)CC(C)(C)C1=O 238376220 573387188 /nfs/dbraw/zinc/38/71/88/573387188.db2.gz IMJFPWQTQMTAHZ-SSDOTTSWSA-N 0 0 168.236 2.152 10 30 AEEERN O=CCc1coc2ccc(F)cc12 258013366 573387268 /nfs/dbraw/zinc/38/72/68/573387268.db2.gz CTEYCVUNPMPMPU-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN CC[C@@H](C=O)c1ccccc1O 107160210 573387361 /nfs/dbraw/zinc/38/73/61/573387361.db2.gz RBECHXXXIZROGN-QMMMGPOBSA-N 0 0 164.204 2.085 10 30 AEEERN C[C@@H](C=O)C1C=CC=CC=C1 238377332 573387407 /nfs/dbraw/zinc/38/74/07/573387407.db2.gz QZEPUMCDSYOAMR-VIFPVBQESA-N 0 0 148.205 2.120 10 30 AEEERN CC[C@H](F)CN(CCC#N)C1CC1 308372996 573387417 /nfs/dbraw/zinc/38/74/17/573387417.db2.gz QUFLXGHOTXPHBD-VIFPVBQESA-N 0 0 184.258 2.113 10 30 AEEERN CC(C)c1cc([C@H](C)C=O)no1 107161514 573387635 /nfs/dbraw/zinc/38/76/35/573387635.db2.gz MEOKHEZHEMICBS-SSDOTTSWSA-N 0 0 167.208 2.100 10 30 AEEERN C[C@H](CC=O)c1ccccc1O 107160194 573387671 /nfs/dbraw/zinc/38/76/71/573387671.db2.gz JWCVHGPNESDQEX-MRVPVSSYSA-N 0 0 164.204 2.085 10 30 AEEERN C/C=C/Cc1cccc(C#N)c1O 118171716 573387797 /nfs/dbraw/zinc/38/77/97/573387797.db2.gz IWTLFTBNBBQANI-NSCUHMNNSA-N 0 0 173.215 2.382 10 30 AEEERN CC[C@H](C=O)c1ccccc1O 107160213 573387806 /nfs/dbraw/zinc/38/78/06/573387806.db2.gz RBECHXXXIZROGN-MRVPVSSYSA-N 0 0 164.204 2.085 10 30 AEEERN O=C[C@@H]1CSc2cccc(F)c21 258012467 573387934 /nfs/dbraw/zinc/38/79/34/573387934.db2.gz JDDDSZIOEJDTJM-ZCFIWIBFSA-N 0 0 182.219 2.214 10 30 AEEERN CSCc1ccc(C#N)o1 238377491 573387970 /nfs/dbraw/zinc/38/79/70/573387970.db2.gz HVLFKDUMCKNVOS-UHFFFAOYSA-N 0 0 153.206 2.014 10 30 AEEERN Cn1cc(CC=O)c2c(F)cccc21 258013326 573387985 /nfs/dbraw/zinc/38/79/85/573387985.db2.gz CSWPCZVHEJAXBR-UHFFFAOYSA-N 0 0 191.205 2.059 10 30 AEEERN Cc1ccc([C@@H](C=O)C2CC2)o1 107160243 573387992 /nfs/dbraw/zinc/38/79/92/573387992.db2.gz XLBQOCBUPGUDBW-VIFPVBQESA-N 0 0 164.204 2.281 10 30 AEEERN CC(C)c1cc([C@@H](C)C=O)no1 107161512 573387999 /nfs/dbraw/zinc/38/79/99/573387999.db2.gz MEOKHEZHEMICBS-ZETCQYMHSA-N 0 0 167.208 2.100 10 30 AEEERN CC(C)[C@H](C=O)c1cccnc1 107160119 573388063 /nfs/dbraw/zinc/38/80/63/573388063.db2.gz GEZXQEOOVWUGQP-JTQLQIEISA-N 0 0 163.220 2.020 10 30 AEEERN C#CCC(=O)[C@H](OC)C1CCCCC1 159472577 573388069 /nfs/dbraw/zinc/38/80/69/573388069.db2.gz MOOJUGGYUVLMPM-GFCCVEGCSA-N 0 0 194.274 2.174 10 30 AEEERN CC(C=O)=C([O-])c1ccc(C)cc1 238376851 573388133 /nfs/dbraw/zinc/38/81/33/573388133.db2.gz GROLZAQNBRMQAT-VIFPVBQESA-N 0 0 176.215 2.013 10 30 AEEERN CC[C@@H](F)CN(CCC#N)C1CC1 308372994 573388180 /nfs/dbraw/zinc/38/81/80/573388180.db2.gz QUFLXGHOTXPHBD-SECBINFHSA-N 0 0 184.258 2.113 10 30 AEEERN C[C@@H](CC=O)c1cccc(O)c1 107160198 573388256 /nfs/dbraw/zinc/38/82/56/573388256.db2.gz IQJFFSLKTKLHQP-QMMMGPOBSA-N 0 0 164.204 2.085 10 30 AEEERN O=C[C@@H](CC(F)(F)F)C1CC1 107160988 573388316 /nfs/dbraw/zinc/38/83/16/573388316.db2.gz SHVRZRAOJXUZRZ-ZCFIWIBFSA-N 0 0 166.142 2.164 10 30 AEEERN O=CC[C@@H](C1CC1)C(F)(F)F 107160994 573389234 /nfs/dbraw/zinc/38/92/34/573389234.db2.gz YRQNKOZFEMWNBD-LURJTMIESA-N 0 0 166.142 2.164 10 30 AEEERN CC(C)[C@@H](C=O)c1cccnc1 107160116 573389282 /nfs/dbraw/zinc/38/92/82/573389282.db2.gz GEZXQEOOVWUGQP-SNVBAGLBSA-N 0 0 163.220 2.020 10 30 AEEERN CC(C)Cn1nc(C2CC2)cc1C#N 259435445 573389148 /nfs/dbraw/zinc/38/91/48/573389148.db2.gz USKVIABPTIGYKX-UHFFFAOYSA-N 0 0 189.262 2.288 10 30 AEEERN CC(C)[C@@H](C=O)c1ccccn1 107160111 573389194 /nfs/dbraw/zinc/38/91/94/573389194.db2.gz PKLZSPLRHDUKJJ-SECBINFHSA-N 0 0 163.220 2.020 10 30 AEEERN O=CC[C@@H]1Cc2ccccc2S1 258019843 573389501 /nfs/dbraw/zinc/38/95/01/573389501.db2.gz DERDOVPTRWCSSA-SECBINFHSA-N 0 0 178.256 2.292 10 30 AEEERN Cc1cc(C)c([C@@H](C)C=O)cn1 107160101 573389511 /nfs/dbraw/zinc/38/95/11/573389511.db2.gz JPQVKUXBLTZNDB-QMMMGPOBSA-N 0 0 163.220 2.001 10 30 AEEERN CC(C)[C@H](C=O)c1ccccn1 107160113 573389984 /nfs/dbraw/zinc/38/99/84/573389984.db2.gz PKLZSPLRHDUKJJ-VIFPVBQESA-N 0 0 163.220 2.020 10 30 AEEERN COC1=C[C@H](C(C)C)CCC1=O 238377364 573389703 /nfs/dbraw/zinc/38/97/03/573389703.db2.gz GXSPIUYPQCIXST-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN C=C(CCO)Cc1ccccc1OC 258011667 573390856 /nfs/dbraw/zinc/39/08/56/573390856.db2.gz BBANQTRFWDMPTK-UHFFFAOYSA-N 0 0 192.258 2.176 10 30 AEEERN Cc1ccc([C@H](C)CC=O)cn1 107160072 573390902 /nfs/dbraw/zinc/39/09/02/573390902.db2.gz DIDUOTRLWSNXHE-MRVPVSSYSA-N 0 0 163.220 2.083 10 30 AEEERN COc1cccc(NC=CC(C)=O)c1 238378964 573390915 /nfs/dbraw/zinc/39/09/15/573390915.db2.gz NACVJHQWGIEOLH-VOTSOKGWSA-N 0 0 191.230 2.210 10 30 AEEERN C[C@@H](C=O)[C@@H](O)c1ccc(Cl)cc1 238378652 573390970 /nfs/dbraw/zinc/39/09/70/573390970.db2.gz QTTVGJCVRURJOY-OIBJUYFYSA-N 0 0 198.649 2.208 10 30 AEEERN COc1c(CC#N)cncc1C(F)F 238377998 573390987 /nfs/dbraw/zinc/39/09/87/573390987.db2.gz CMGNXBGUKGPPKC-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CC[C@H](C=O)c1ccc(O)cc1 107160223 573391153 /nfs/dbraw/zinc/39/11/53/573391153.db2.gz GLMUTISODHZNKJ-MRVPVSSYSA-N 0 0 164.204 2.085 10 30 AEEERN C=C[C@@]12C=C(OC)[C@@H](CC1)C[C@@H]2C=O 238378144 573391176 /nfs/dbraw/zinc/39/11/76/573391176.db2.gz ZEBXVXJWQXSCPL-UMNHJUIQSA-N 0 0 192.258 2.318 10 30 AEEERN N#CCCC1(C2CCCC2)COC1 258495157 573391212 /nfs/dbraw/zinc/39/12/12/573391212.db2.gz DEKBGVGMSBZLJX-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN CCCCCCCn1nnc(N)c1C 118187061 573391303 /nfs/dbraw/zinc/39/13/03/573391303.db2.gz YBDMYALLLIWBNP-UHFFFAOYSA-N 0 0 196.298 2.139 10 30 AEEERN C=CCc1ccc(N)cc1OC 238378350 573391349 /nfs/dbraw/zinc/39/13/49/573391349.db2.gz KBDPXFYYBUXJNY-UHFFFAOYSA-N 0 0 163.220 2.006 10 30 AEEERN COc1c(C(F)F)ccnc1CC#N 238378284 573391371 /nfs/dbraw/zinc/39/13/71/573391371.db2.gz CSRZLEHTUXRDTQ-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C[C@H](CC=O)c1ccc(O)cc1 107160206 573391386 /nfs/dbraw/zinc/39/13/86/573391386.db2.gz BKPJQFDFPCNZMW-MRVPVSSYSA-N 0 0 164.204 2.085 10 30 AEEERN C#CCC#CCCCCCCCO 238655129 573391469 /nfs/dbraw/zinc/39/14/69/573391469.db2.gz QDRYQVPWAJNUSL-UHFFFAOYSA-N 0 0 178.275 2.346 10 30 AEEERN CO[C@@]1(C)CC[C@@H](C(C)(C)C=O)C1 238378981 573391611 /nfs/dbraw/zinc/39/16/11/573391611.db2.gz VHHJDSUIDWBDSJ-KOLCDFICSA-N 0 0 184.279 2.417 10 30 AEEERN COc1ccc(O)c([C@@H](C)C#N)c1 238378871 573391644 /nfs/dbraw/zinc/39/16/44/573391644.db2.gz XVKXYZQCRLKPDX-ZETCQYMHSA-N 0 0 177.203 2.028 10 30 AEEERN CC(C)C[C@@H](C=O)C(F)(F)F 107161979 573391677 /nfs/dbraw/zinc/39/16/77/573391677.db2.gz JFPRDLVYIVMOLZ-LURJTMIESA-N 0 0 168.158 2.410 10 30 AEEERN CC(C)[C@H](C=O)CC(F)(F)F 107161967 573391953 /nfs/dbraw/zinc/39/19/53/573391953.db2.gz MOIUHHYUOXXTPS-LURJTMIESA-N 0 0 168.158 2.410 10 30 AEEERN CO[C@@]1(C)CC[C@H](C(C)(C)C=O)C1 238379203 573391956 /nfs/dbraw/zinc/39/19/56/573391956.db2.gz VHHJDSUIDWBDSJ-ONGXEEELSA-N 0 0 184.279 2.417 10 30 AEEERN COc1ccc2coc(C#N)c2c1 238378043 573392008 /nfs/dbraw/zinc/39/20/08/573392008.db2.gz QVWRJNZOJNDGRT-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN CC(C)[C@@H](CC=O)C(F)(F)F 107161973 573392013 /nfs/dbraw/zinc/39/20/13/573392013.db2.gz ZGDDFNAEBHHZEY-ZCFIWIBFSA-N 0 0 168.158 2.410 10 30 AEEERN O=C[C@H](c1ccccc1O)C1CC1 107164952 573392047 /nfs/dbraw/zinc/39/20/47/573392047.db2.gz FRNAVOVGFUIVCE-JTQLQIEISA-N 0 0 176.215 2.085 10 30 AEEERN Cc1ccc2c(c1)[C@@H]1N[C@@H](C#N)C[C@@H]1C2 259436677 573393538 /nfs/dbraw/zinc/39/35/38/573393538.db2.gz AKUBNDAUCUAXFZ-DMDPSCGWSA-N 0 0 198.269 2.094 10 30 AEEERN CC(C)[C@@H](C=O)c1ccccc1O 107166440 573393551 /nfs/dbraw/zinc/39/35/51/573393551.db2.gz AMMCEOGLMSHDSD-SNVBAGLBSA-N 0 0 178.231 2.331 10 30 AEEERN C=CCN(CC=C)c1cccnc1C#N 129850470 573393031 /nfs/dbraw/zinc/39/30/31/573393031.db2.gz CYFRPHXXQMVVLR-UHFFFAOYSA-N 0 0 199.257 2.132 10 30 AEEERN COC(=O)Nc1cc(C)cc(C#N)c1 306157546 573393065 /nfs/dbraw/zinc/39/30/65/573393065.db2.gz CGXSEWXFHIMGNR-UHFFFAOYSA-N 0 0 190.202 2.045 10 30 AEEERN C[C@H](F)[C@H](CC=O)C1CCC1 258495316 573393136 /nfs/dbraw/zinc/39/31/36/573393136.db2.gz KNEGXHCSGXCRHQ-CBAPKCEASA-N 0 0 158.216 2.350 10 30 AEEERN COc1ccc(CC#N)c(C(F)F)n1 238379558 573393220 /nfs/dbraw/zinc/39/32/20/573393220.db2.gz JBNWZVVBTSARDB-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C[C@@H](C=O)[C@@H]1CC=CC1(C)C 238378983 573393277 /nfs/dbraw/zinc/39/32/77/573393277.db2.gz LKSRDNLJMSQMNS-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCc1cccc(C#N)c1OC 238378504 573393377 /nfs/dbraw/zinc/39/33/77/573393377.db2.gz INWNUHBMGSAXIB-UHFFFAOYSA-N 0 0 173.215 2.295 10 30 AEEERN CC[C@@H](C)[C@H](C#N)SC 86386795 573393414 /nfs/dbraw/zinc/39/34/14/573393414.db2.gz CBEWNFUWPYVMBY-RQJHMYQMSA-N 0 0 143.255 2.288 10 30 AEEERN C=CCCC(=O)C[C@@H](O)c1ccco1 308570351 573393428 /nfs/dbraw/zinc/39/34/28/573393428.db2.gz DQLZRCIOEHCOIA-SNVBAGLBSA-N 0 0 194.230 2.238 10 30 AEEERN CO[C@@H](C=O)c1cc(C)cc(C)c1 107166358 573394231 /nfs/dbraw/zinc/39/42/31/573394231.db2.gz DQVIHNZBADOVOZ-NSHDSACASA-N 0 0 178.231 2.190 10 30 AEEERN CC(C)C[C@H](C=O)C(F)(F)F 107161983 573394452 /nfs/dbraw/zinc/39/44/52/573394452.db2.gz JFPRDLVYIVMOLZ-ZCFIWIBFSA-N 0 0 168.158 2.410 10 30 AEEERN C[C@@H](C=O)[C@@H](O)c1ccccc1Cl 238378706 573394479 /nfs/dbraw/zinc/39/44/79/573394479.db2.gz NTIVHOCOLKVMOQ-OIBJUYFYSA-N 0 0 198.649 2.208 10 30 AEEERN C[C@@H](F)[C@@H](CC=O)C1CCC1 258495336 573394492 /nfs/dbraw/zinc/39/44/92/573394492.db2.gz KNEGXHCSGXCRHQ-VXNVDRBHSA-N 0 0 158.216 2.350 10 30 AEEERN CC/C=C\C(=O)OCC(C)(C)C#N 308379619 573394498 /nfs/dbraw/zinc/39/44/98/573394498.db2.gz UGQOUPUVYVJWOB-WAYWQWQTSA-N 0 0 181.235 2.046 10 30 AEEERN C=CCC[NH2+]CCCCCCC(=O)[O-] 308570591 573394523 /nfs/dbraw/zinc/39/45/23/573394523.db2.gz KABQGBZPARSAII-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN C[C@@H](C=O)[C@@H]1OCCc2ccccc21 238379601 573394562 /nfs/dbraw/zinc/39/45/62/573394562.db2.gz VRXZOCXPIQHDKX-CABZTGNLSA-N 0 0 190.242 2.135 10 30 AEEERN CC(C)[C@@H](C=O)CC(F)(F)F 107161969 573394718 /nfs/dbraw/zinc/39/47/18/573394718.db2.gz MOIUHHYUOXXTPS-ZCFIWIBFSA-N 0 0 168.158 2.410 10 30 AEEERN CC#Cc1cc(C)c(OC)cc1C=O 238385611 573394920 /nfs/dbraw/zinc/39/49/20/573394920.db2.gz PVBBTGIUQUZVTL-UHFFFAOYSA-N 0 0 188.226 2.188 10 30 AEEERN CO[C@H](C=O)c1cc(C)cc(C)c1 107166355 573395049 /nfs/dbraw/zinc/39/50/49/573395049.db2.gz DQVIHNZBADOVOZ-LLVKDONJSA-N 0 0 178.231 2.190 10 30 AEEERN C#CCCOc1ccc(F)cc1C#N 236205480 573395055 /nfs/dbraw/zinc/39/50/55/573395055.db2.gz GYBZGENXMADCAK-UHFFFAOYSA-N 0 0 189.189 2.099 10 30 AEEERN C[C@@H](F)[C@H](CC=O)C1CCC1 258495310 573395734 /nfs/dbraw/zinc/39/57/34/573395734.db2.gz KNEGXHCSGXCRHQ-APPZFPTMSA-N 0 0 158.216 2.350 10 30 AEEERN CC(C)=CC(=O)c1ccccc1N 118422439 573401020 /nfs/dbraw/zinc/40/10/20/573401020.db2.gz NMSKCEYKTRWQKS-UHFFFAOYSA-N 0 0 175.231 2.418 10 30 AEEERN CC(C)=CC(=O)[C@@H]1C[C@H]1C 118422556 573401072 /nfs/dbraw/zinc/40/10/72/573401072.db2.gz SQFWSXFWJLWKMH-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN COC1=CCC(=C2CCCC2)C1=O 238388409 573401129 /nfs/dbraw/zinc/40/11/29/573401129.db2.gz RGBHDSUBCJWELT-SECBINFHSA-N 0 0 178.231 2.216 10 30 AEEERN C=C1CCC(=O)[C@H](SC)C1 238387096 573400978 /nfs/dbraw/zinc/40/09/78/573400978.db2.gz VYNTYZILTVALEF-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN Cc1cc2cccc(F)c2n1CC=O 107176316 573400457 /nfs/dbraw/zinc/40/04/57/573400457.db2.gz JRAKBSWIXAOEKW-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN CO[C@H](C=O)c1cccc(Cl)c1 107172451 573400520 /nfs/dbraw/zinc/40/05/20/573400520.db2.gz ZKEACFBUXGZQQP-SECBINFHSA-N 0 0 184.622 2.226 10 30 AEEERN COC1=CC(=O)[C@@H]2CC=CC[C@@H]2C1 238387356 573401830 /nfs/dbraw/zinc/40/18/30/573401830.db2.gz OTDFXRJNHCJVHQ-PSASIEDQSA-N 0 0 178.231 2.072 10 30 AEEERN C=CCC[C@@]1(C)CCCC(=NO)[C@@H]1O 308572817 573400650 /nfs/dbraw/zinc/40/06/50/573400650.db2.gz FTJGJJBSVQWLCF-QWRGUYRKSA-N 0 0 197.278 2.334 10 30 AEEERN C[C@@H](n1cc(C#N)cn1)C(C)(C)C 238387277 573400659 /nfs/dbraw/zinc/40/06/59/573400659.db2.gz ONVYPIMXOHOMFQ-MRVPVSSYSA-N 0 0 177.251 2.362 10 30 AEEERN N#Cc1cccc([C@H](O)CC2CC2)c1 135623496 573400752 /nfs/dbraw/zinc/40/07/52/573400752.db2.gz FQHALXXDERZEMY-GFCCVEGCSA-N 0 0 187.242 2.392 10 30 AEEERN Cc1cccc2[nH]c(CC=O)cc12 258339880 573400820 /nfs/dbraw/zinc/40/08/20/573400820.db2.gz XQXAVZVEIMCFJR-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN CC[C@H](C)C1=CC(=O)CC1 86394019 573400858 /nfs/dbraw/zinc/40/08/58/573400858.db2.gz DZJOGKLCUJJEDF-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@](C#N)(CO)Sc1ccccc1 224084457 573400922 /nfs/dbraw/zinc/40/09/22/573400922.db2.gz URGXWBOCPWCNTQ-SNVBAGLBSA-N 0 0 193.271 2.053 10 30 AEEERN CC(C)C1CCC([C@@H](O)CC=O)CC1 308573130 573401771 /nfs/dbraw/zinc/40/17/71/573401771.db2.gz FZARRRQEEDWDGD-MCIGGMRASA-N 0 0 198.306 2.399 10 30 AEEERN C=CCC[C@@H](O)[C@H](OC)C(C)(C)C 133440561 573402590 /nfs/dbraw/zinc/40/25/90/573402590.db2.gz XXEPYJXPBGDVMB-ZJUUUORDSA-N 0 0 186.295 2.375 10 30 AEEERN CC1=C(OC(C)(C)C)[C@H](C)C1=O 238388611 573402113 /nfs/dbraw/zinc/40/21/13/573402113.db2.gz TWAWEEICEKCYIH-ZCFIWIBFSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCC[C@]1(C)CCCC(=NO)[C@H]1O 308572814 573402301 /nfs/dbraw/zinc/40/23/01/573402301.db2.gz FTJGJJBSVQWLCF-GHMZBOCLSA-N 0 0 197.278 2.334 10 30 AEEERN C=CCC[C@]1(C)CCCC(=NO)[C@@H]1O 308572818 573402329 /nfs/dbraw/zinc/40/23/29/573402329.db2.gz FTJGJJBSVQWLCF-WDEREUQCSA-N 0 0 197.278 2.334 10 30 AEEERN Cc1cnc(-n2cccc2C#N)s1 259439905 573403099 /nfs/dbraw/zinc/40/30/99/573403099.db2.gz MZYJSFINIHQAOU-UHFFFAOYSA-N 0 0 189.243 2.114 10 30 AEEERN COC1=CCC(=C2CCCC2)C1=O 238388233 573403263 /nfs/dbraw/zinc/40/32/63/573403263.db2.gz RGBHDSUBCJWELT-VIFPVBQESA-N 0 0 178.231 2.216 10 30 AEEERN COC1=CC(=O)[C@H]2CC=CC[C@@H]2C1 238387655 573403315 /nfs/dbraw/zinc/40/33/15/573403315.db2.gz OTDFXRJNHCJVHQ-SCZZXKLOSA-N 0 0 178.231 2.072 10 30 AEEERN COC1=CC2(CCC2)CC(=O)C=C1 238387945 573403335 /nfs/dbraw/zinc/40/33/35/573403335.db2.gz LJPYHFQOABAIRL-UHFFFAOYSA-N 0 0 178.231 2.216 10 30 AEEERN C[C@@H](CC#N)c1cc(O)ccc1O 238388331 573403656 /nfs/dbraw/zinc/40/36/56/573403656.db2.gz CRKKQPINSRSBCT-ZETCQYMHSA-N 0 0 177.203 2.115 10 30 AEEERN COC1=CCC(=C2CCCC2)C1=O 238388156 573403665 /nfs/dbraw/zinc/40/36/65/573403665.db2.gz LZMPRHPHEZISAH-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN C[C@@H](CC#N)[C@]1(C)CCCC1=O 238388224 573403840 /nfs/dbraw/zinc/40/38/40/573403840.db2.gz XAAMDLHPJPWTDW-WPRPVWTQSA-N 0 0 165.236 2.295 10 30 AEEERN C=CCCCNC(=O)N1CCCCC1 308575253 573403920 /nfs/dbraw/zinc/40/39/20/573403920.db2.gz GZPVGHXFDQZRAD-UHFFFAOYSA-N 0 0 196.294 2.148 10 30 AEEERN CC(C)=CC(=O)[C@H]1C[C@@H]1C 118422553 573403932 /nfs/dbraw/zinc/40/39/32/573403932.db2.gz SQFWSXFWJLWKMH-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CCC(O)(CC)C[C@@](C)(C#N)C(C)=O 308575272 573403973 /nfs/dbraw/zinc/40/39/73/573403973.db2.gz HBKJPBAYOYRFSF-JTQLQIEISA-N 0 0 197.278 2.046 10 30 AEEERN N#CCCCNOCc1ccccc1 83116154 573404842 /nfs/dbraw/zinc/40/48/42/573404842.db2.gz GJWJNNWGDKQWMQ-UHFFFAOYSA-N 0 0 190.246 2.012 10 30 AEEERN C=C[C@H](C)n1cc(C(C)=O)nc1CC 308574515 573404624 /nfs/dbraw/zinc/40/46/24/573404624.db2.gz GOQBDEZVPOVUKH-QMMMGPOBSA-N 0 0 192.262 2.395 10 30 AEEERN CN(CC(F)F)c1cccc(C#N)c1 61957006 573404805 /nfs/dbraw/zinc/40/48/05/573404805.db2.gz JOPYSZOSMSITEY-UHFFFAOYSA-N 0 0 196.200 2.260 10 30 AEEERN C=C1C=C[C@@H](C)[C@H](C(C)=O)C1 238399249 573406040 /nfs/dbraw/zinc/40/60/40/573406040.db2.gz XTBWNFNUSWLPSY-PSASIEDQSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H]1CC(=O)[C@@H](C)C1(C)C 238390547 573406023 /nfs/dbraw/zinc/40/60/23/573406023.db2.gz PWQIIXUBLKLIDF-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1cccc(C(F)(F)C=O)c1 258646809 573407052 /nfs/dbraw/zinc/40/70/52/573407052.db2.gz ZESYPFGRJKDZTF-UHFFFAOYSA-N 0 0 170.158 2.286 10 30 AEEERN O=C[C@@H](F)CC1CCSCC1 257810976 573407056 /nfs/dbraw/zinc/40/70/56/573407056.db2.gz AUGLFZBUCFMJEP-QMMMGPOBSA-N 0 0 176.256 2.057 10 30 AEEERN Cc1ccnn1Cc1ccc(C#N)cc1 79986067 573407110 /nfs/dbraw/zinc/40/71/10/573407110.db2.gz PYYYSOASYJKQLZ-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN Cc1ccc2c(c1N)C[C@@H](C#N)S2 259442611 573407444 /nfs/dbraw/zinc/40/74/44/573407444.db2.gz NGSSSIIRKFCTLI-ZETCQYMHSA-N 0 0 190.271 2.118 10 30 AEEERN CC1(C#N)CCSCC1 118519412 573407593 /nfs/dbraw/zinc/40/75/93/573407593.db2.gz SFMORNRBUKPHOS-UHFFFAOYSA-N 0 0 141.239 2.043 10 30 AEEERN Cc1occc1SCCC=O 118486193 573407629 /nfs/dbraw/zinc/40/76/29/573407629.db2.gz QPVSPFVOHZUJNA-UHFFFAOYSA-N 0 0 170.233 2.269 10 30 AEEERN CC(C)CCOc1cnccc1C#N 135618954 573407650 /nfs/dbraw/zinc/40/76/50/573407650.db2.gz BTEBXTHVNLDJRZ-UHFFFAOYSA-N 0 0 190.246 2.378 10 30 AEEERN C[C@@H]1C(=O)CCC2=C1CCCC2=O 238389508 573407722 /nfs/dbraw/zinc/40/77/22/573407722.db2.gz JSSRQELEEPAJDA-ZETCQYMHSA-N 0 0 178.231 2.035 10 30 AEEERN C[C@@H](C=O)[C@H](O)c1ccc(Cl)cc1 238380675 573408427 /nfs/dbraw/zinc/40/84/27/573408427.db2.gz QTTVGJCVRURJOY-XVKPBYJWSA-N 0 0 198.649 2.208 10 30 AEEERN O[C@H](CS)c1coc2ccccc12 259097045 573408471 /nfs/dbraw/zinc/40/84/71/573408471.db2.gz HDOKAQHDKRUVLH-SECBINFHSA-N 0 0 194.255 2.396 10 30 AEEERN C[C@@H](C=O)[C@H]1C=CC1(C)C 238380806 573408553 /nfs/dbraw/zinc/40/85/53/573408553.db2.gz UHEXBNTZUNDMMF-JGVFFNPUSA-N 0 0 138.210 2.034 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@]2(C)[C@@H]1C 238387966 573408794 /nfs/dbraw/zinc/40/87/94/573408794.db2.gz JPQXIQGSEJVZNU-NQMVMOMDSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1cc(CCC=O)cc(N)c1C 259441721 573408796 /nfs/dbraw/zinc/40/87/96/573408796.db2.gz LSALAMXZEFELPT-UHFFFAOYSA-N 0 0 177.247 2.017 10 30 AEEERN C[C@H](C#N)CC1CCC1 107217098 573408817 /nfs/dbraw/zinc/40/88/17/573408817.db2.gz HMXVWKNYUWSDJM-ZETCQYMHSA-N 0 0 123.199 2.336 10 30 AEEERN C=CCc1ccccc1OC(=O)NC 33505989 573409642 /nfs/dbraw/zinc/40/96/42/573409642.db2.gz KYTKIIDOIMLGQO-UHFFFAOYSA-N 0 0 191.230 2.133 10 30 AEEERN C=C(CO)[C@@H]1CCCC[C@@H]1CC(C)=O 308578040 573409655 /nfs/dbraw/zinc/40/96/55/573409655.db2.gz IKJOEQPXLIXVEX-NEPJUHHUSA-N 0 0 196.290 2.320 10 30 AEEERN Cc1ncc(C#N)n1-c1ccccc1 259441772 573409942 /nfs/dbraw/zinc/40/99/42/573409942.db2.gz VIOBBYQTXCZKIL-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN CS[C@@H](C#N)[Si](C)(C)C 238382733 573409955 /nfs/dbraw/zinc/40/99/55/573409955.db2.gz SXNNRIVSRGIQNS-ZCFIWIBFSA-N 0 0 159.330 2.119 10 30 AEEERN CC(C)c1ccc([C@@H](N)C=O)cc1 259098548 573411090 /nfs/dbraw/zinc/41/10/90/573411090.db2.gz AUMRMCDFVPOHEJ-NSHDSACASA-N 0 0 177.247 2.009 10 30 AEEERN O[C@@H](CS)c1coc2ccccc12 259097050 573411109 /nfs/dbraw/zinc/41/11/09/573411109.db2.gz HDOKAQHDKRUVLH-VIFPVBQESA-N 0 0 194.255 2.396 10 30 AEEERN CON(CCC(C)(C)C#N)CC(C)C 308578247 573411269 /nfs/dbraw/zinc/41/12/69/573411269.db2.gz NTOZVJHCOCLVCP-UHFFFAOYSA-N 0 0 198.310 2.446 10 30 AEEERN N#Cc1cnc(NC2CCCC2)s1 259098739 573411368 /nfs/dbraw/zinc/41/13/68/573411368.db2.gz ZQWLVAYTXRPTRH-UHFFFAOYSA-N 0 0 193.275 2.369 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C(C)=C\CC 308386374 573411430 /nfs/dbraw/zinc/41/14/30/573411430.db2.gz XEJUTQXPWSWYOC-UJICNMFASA-N 0 0 180.247 2.298 10 30 AEEERN C[C@@H]1CCC2=C(CCC2=O)C1 238399394 573421354 /nfs/dbraw/zinc/42/13/54/573421354.db2.gz OTCQGXXKHLRZSZ-SSDOTTSWSA-N 0 0 150.221 2.466 10 30 AEEERN COc1ccnc(C(F)F)c1CC#N 238382819 573411770 /nfs/dbraw/zinc/41/17/70/573411770.db2.gz FSSAJJAWWSDVGM-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CCCCOc1cnccc1C#N 135623830 573411776 /nfs/dbraw/zinc/41/17/76/573411776.db2.gz UUSWBRPHHKHKIG-UHFFFAOYSA-N 0 0 176.219 2.132 10 30 AEEERN CN(C)c1cc(F)ccc1CCC=O 259443919 573411824 /nfs/dbraw/zinc/41/18/24/573411824.db2.gz LYIUOXJVKXGQAS-UHFFFAOYSA-N 0 0 195.237 2.023 10 30 AEEERN COC[C@H]1CC(C)=C(C)C[C@H]1C=O 238382664 573411947 /nfs/dbraw/zinc/41/19/47/573411947.db2.gz YQPXBCGRHRCANR-WDEREUQCSA-N 0 0 182.263 2.194 10 30 AEEERN C#CCCC(=O)NC(C)(C)CCC 308384851 573413163 /nfs/dbraw/zinc/41/31/63/573413163.db2.gz WJUILTXSAYVQBE-UHFFFAOYSA-N 0 0 181.279 2.095 10 30 AEEERN C=C(CO)[C@H]1CCCC[C@H]1CC(C)=O 308578041 573413176 /nfs/dbraw/zinc/41/31/76/573413176.db2.gz IKJOEQPXLIXVEX-NWDGAFQWSA-N 0 0 196.290 2.320 10 30 AEEERN COc1ccc(O)cc1[C@@H](C)C#N 238382800 573413188 /nfs/dbraw/zinc/41/31/88/573413188.db2.gz WJTVHYBIUNUFOX-ZETCQYMHSA-N 0 0 177.203 2.028 10 30 AEEERN C[C@H](CCCO)[C@@H]1CC[C@]2(C)O[C@@H]2C1 308578076 573413191 /nfs/dbraw/zinc/41/31/91/573413191.db2.gz ILISXWWCKGUUGG-KKOKHZNYSA-N 0 0 198.306 2.353 10 30 AEEERN C#CC[C@@H](C)OC(=O)/C(C)=C/CC 308386373 573413221 /nfs/dbraw/zinc/41/32/21/573413221.db2.gz XEJUTQXPWSWYOC-TTZKWOQHSA-N 0 0 180.247 2.298 10 30 AEEERN Cc1ccsc1C=NNCC1CC1 308386133 573413287 /nfs/dbraw/zinc/41/32/87/573413287.db2.gz UPRRQMPRLDEKIF-UHFFFAOYSA-N 0 0 194.303 2.390 10 30 AEEERN Cc1occc1-c1cc(C#N)on1 259442419 573413545 /nfs/dbraw/zinc/41/35/45/573413545.db2.gz KFIUIJDIRCWLPI-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN COC[C@H]1CC(C)=C(C)C[C@@H]1C=O 238382648 573414035 /nfs/dbraw/zinc/41/40/35/573414035.db2.gz YQPXBCGRHRCANR-GHMZBOCLSA-N 0 0 182.263 2.194 10 30 AEEERN C[C@@H](F)[C@@H](C=O)OCc1ccccc1 238382317 573414249 /nfs/dbraw/zinc/41/42/49/573414249.db2.gz AZIAHJQJBIHVAE-MWLCHTKSSA-N 0 0 196.221 2.129 10 30 AEEERN C=C[C@H](C#N)OC(=O)CCCCC 308388162 573414261 /nfs/dbraw/zinc/41/42/61/573414261.db2.gz YHBAIDNKHBTDCP-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN COc1nc2ccc(C#N)cc2s1 238382481 573414275 /nfs/dbraw/zinc/41/42/75/573414275.db2.gz SURCADZHTWALBV-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN C[C@@H](C=O)[C@](C)(C#N)c1ccccc1 238381563 573414427 /nfs/dbraw/zinc/41/44/27/573414427.db2.gz URVPFDGWCYCBPK-JQWIXIFHSA-N 0 0 187.242 2.303 10 30 AEEERN CC[C@@H](C#N)NC[C@@H](C)C(F)(F)F 308388192 573414466 /nfs/dbraw/zinc/41/44/66/573414466.db2.gz YIDLRVXJGOVLTB-RQJHMYQMSA-N 0 0 194.200 2.077 10 30 AEEERN C[C@H]1SCC[C@@H]1CC#N 107218149 573414473 /nfs/dbraw/zinc/41/44/73/573414473.db2.gz RAHKFEVJLPUYAQ-RQJHMYQMSA-N 0 0 141.239 2.042 10 30 AEEERN C=C(C)CCON=C(N)CCCC 308386980 573416097 /nfs/dbraw/zinc/41/60/97/573416097.db2.gz XPIOCHHWDMZYIL-UHFFFAOYSA-N 0 0 184.283 2.432 10 30 AEEERN CCc1nc2ccc(CC#N)cc2n1C 258494573 573415079 /nfs/dbraw/zinc/41/50/79/573415079.db2.gz BLDTYUHVJWSGTM-UHFFFAOYSA-N 0 0 199.257 2.202 10 30 AEEERN O=C(ON=Cc1cccs1)C1CC1 308388581 573415244 /nfs/dbraw/zinc/41/52/44/573415244.db2.gz WMLBYHUUQFXEID-UHFFFAOYSA-N 0 0 195.243 2.035 10 30 AEEERN N#Cc1c[nH]c2ccc(C3CC3)nc12 259444069 573415265 /nfs/dbraw/zinc/41/52/65/573415265.db2.gz VPPBSEISVZANJD-UHFFFAOYSA-N 0 0 183.214 2.312 10 30 AEEERN Cc1ccc2c(c1N)C[C@H](C#N)S2 259442610 573415295 /nfs/dbraw/zinc/41/52/95/573415295.db2.gz NGSSSIIRKFCTLI-SSDOTTSWSA-N 0 0 190.271 2.118 10 30 AEEERN C=CCOC(=O)Cc1ccc(C)s1 308387492 573415335 /nfs/dbraw/zinc/41/53/35/573415335.db2.gz VSDHVDAXXWYGPT-UHFFFAOYSA-N 0 0 196.271 2.328 10 30 AEEERN Cc1cccc2c(C#N)ccn12 118626624 573415452 /nfs/dbraw/zinc/41/54/52/573415452.db2.gz QCTHVIZVDUIGLJ-UHFFFAOYSA-N 0 0 156.188 2.119 10 30 AEEERN CC(C)(C=O)C(F)(F)C(F)(F)F 118646989 573415509 /nfs/dbraw/zinc/41/55/09/573415509.db2.gz DWUHPYNQEYEWKO-UHFFFAOYSA-N 0 0 190.111 2.409 10 30 AEEERN C=CC[C@@H](C)[C@H](N)C(F)(F)F 715801182 573415511 /nfs/dbraw/zinc/41/55/11/573415511.db2.gz XAPJJKRNLAPASN-RITPCOANSA-N 0 0 167.174 2.088 10 30 AEEERN COc1ccc(O)cc1[C@H](C)C#N 238383135 573415529 /nfs/dbraw/zinc/41/55/29/573415529.db2.gz WJTVHYBIUNUFOX-SSDOTTSWSA-N 0 0 177.203 2.028 10 30 AEEERN C=C(C)C[C@@H](O)C(C)(C)OCC 133592995 573415533 /nfs/dbraw/zinc/41/55/33/573415533.db2.gz AXEZSSCDBBMISB-SECBINFHSA-N 0 0 172.268 2.129 10 30 AEEERN CC[C@H](C#N)NC[C@@H](C)C(F)(F)F 308388190 573415535 /nfs/dbraw/zinc/41/55/35/573415535.db2.gz YIDLRVXJGOVLTB-RNFRBKRXSA-N 0 0 194.200 2.077 10 30 AEEERN Cc1ccc([C@@H](N)C2(C#N)CCC2)o1 259443068 573415618 /nfs/dbraw/zinc/41/56/18/573415618.db2.gz NRROEAZXPYJHCD-SNVBAGLBSA-N 0 0 190.246 2.282 10 30 AEEERN CC1=CCC[C@]2(C)O[C@@H]2CCC[C@H]1O 308579123 573415778 /nfs/dbraw/zinc/41/57/78/573415778.db2.gz IYLQQOKFCRMTEM-UTUOFQBUSA-N 0 0 196.290 2.415 10 30 AEEERN CCCCCC(=O)OC(C)(C)C#N 308388668 573415827 /nfs/dbraw/zinc/41/58/27/573415827.db2.gz YNURTNAQHAZMSL-UHFFFAOYSA-N 0 0 183.251 2.412 10 30 AEEERN C=CC[C@@H](C)[C@@](C)(C#N)C(C)=O 715799449 573415900 /nfs/dbraw/zinc/41/59/00/573415900.db2.gz NFUNAVREYAWUNM-PSASIEDQSA-N 0 0 165.236 2.317 10 30 AEEERN CC1=CCC[C@]2(C)O[C@H]2CCC[C@H]1O 308579124 573415998 /nfs/dbraw/zinc/41/59/98/573415998.db2.gz IYLQQOKFCRMTEM-WOPDTQHZSA-N 0 0 196.290 2.415 10 30 AEEERN N#Cc1c(O)ccn1Cc1ccccc1 260289670 573416006 /nfs/dbraw/zinc/41/60/06/573416006.db2.gz ATONXVNDJCAPLZ-UHFFFAOYSA-N 0 0 198.225 2.114 10 30 AEEERN C=CC[C@H](C)[C@H](N)C(F)(F)F 715801184 573417216 /nfs/dbraw/zinc/41/72/16/573417216.db2.gz XAPJJKRNLAPASN-WDSKDSINSA-N 0 0 167.174 2.088 10 30 AEEERN CC[C@H](C#N)NC[C@H](C)C(F)(F)F 308388189 573418574 /nfs/dbraw/zinc/41/85/74/573418574.db2.gz YIDLRVXJGOVLTB-NKWVEPMBSA-N 0 0 194.200 2.077 10 30 AEEERN CC[C@@H](C#N)NC[C@H](C)C(F)(F)F 308388188 573418153 /nfs/dbraw/zinc/41/81/53/573418153.db2.gz YIDLRVXJGOVLTB-BQBZGAKWSA-N 0 0 194.200 2.077 10 30 AEEERN COc1cc(C)nc(C(F)F)c1C#N 238383561 573418306 /nfs/dbraw/zinc/41/83/06/573418306.db2.gz NRNRCCZJUHRLCU-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCc1nc2cc(C#N)sc2o1 259611112 573418323 /nfs/dbraw/zinc/41/83/23/573418323.db2.gz FWMKMDSHIMZTJC-UHFFFAOYSA-N 0 0 178.216 2.323 10 30 AEEERN CC1=CCC[C@]2(C)O[C@H]2CCC[C@@H]1O 308579121 573418389 /nfs/dbraw/zinc/41/83/89/573418389.db2.gz IYLQQOKFCRMTEM-SRVKXCTJSA-N 0 0 196.290 2.415 10 30 AEEERN CO[C@@]12CCCC1=C(C)C=CC2=O 238384742 573418397 /nfs/dbraw/zinc/41/83/97/573418397.db2.gz AEUWVAQSOGHKIO-NSHDSACASA-N 0 0 178.231 2.011 10 30 AEEERN O=C[C@@H](F)c1ccc(O)c(Cl)c1 257810847 573420202 /nfs/dbraw/zinc/42/02/02/573420202.db2.gz ATCRDZSHXQHZGQ-SSDOTTSWSA-N 0 0 188.585 2.255 10 30 AEEERN N#Cc1cc2cc(N)c(F)cc2o1 259445010 573420237 /nfs/dbraw/zinc/42/02/37/573420237.db2.gz NJVKSHYVPQFPLN-UHFFFAOYSA-N 0 0 176.150 2.026 10 30 AEEERN O=C[C@H](F)c1ccc(O)c(Cl)c1 257810848 573420247 /nfs/dbraw/zinc/42/02/47/573420247.db2.gz ATCRDZSHXQHZGQ-ZETCQYMHSA-N 0 0 188.585 2.255 10 30 AEEERN COc1cc(C#N)cc(CF)c1OC 258024677 573421362 /nfs/dbraw/zinc/42/13/62/573421362.db2.gz IMLAPBDXNVYTMC-UHFFFAOYSA-N 0 0 195.193 2.045 10 30 AEEERN Cc1cccc2c1[C@@H](CC=O)CN2C 258026021 573421369 /nfs/dbraw/zinc/42/13/69/573421369.db2.gz DLNAYRVXLDCUQN-JTQLQIEISA-N 0 0 189.258 2.117 10 30 AEEERN CC(C)[C@@H]1[C@H](C#N)CCCC[N@@H+]1C 259611134 573421381 /nfs/dbraw/zinc/42/13/81/573421381.db2.gz FXKJPERAFLWBCL-WDEREUQCSA-N 0 0 180.295 2.266 10 30 AEEERN Cc1cc(C)c2cc(C#N)oc2n1 259446154 573421139 /nfs/dbraw/zinc/42/11/39/573421139.db2.gz VXEOUMHIVHWUOJ-UHFFFAOYSA-N 0 0 172.187 2.316 10 30 AEEERN C=C(C)c1cc(C)ccc(=O)c1O 34283196 573421259 /nfs/dbraw/zinc/42/12/59/573421259.db2.gz ZGRIBKSEQSSYBC-UHFFFAOYSA-N 0 0 176.215 2.094 10 30 AEEERN Cc1cc(C[C@H](C)O)cc(C#N)c1C 258024599 573422189 /nfs/dbraw/zinc/42/21/89/573422189.db2.gz IKKWSKIYIYIPGQ-VIFPVBQESA-N 0 0 189.258 2.098 10 30 AEEERN C#CCC[C@@H](NN)C(CCC)CCC 133668818 573422198 /nfs/dbraw/zinc/42/21/98/573422198.db2.gz BLURVICHKCFBOQ-GFCCVEGCSA-N 0 0 196.338 2.448 10 30 AEEERN Cc1cc(C)c(CC=O)cc1C 83138942 573422240 /nfs/dbraw/zinc/42/22/40/573422240.db2.gz BIJDXKQNBREJLI-UHFFFAOYSA-N 0 0 162.232 2.353 10 30 AEEERN CCc1cnn(-c2ccc(C#N)cc2)c1 214886171 573422294 /nfs/dbraw/zinc/42/22/94/573422294.db2.gz ZPDLWKNQVWKIRB-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN Cc1cc(C)c(C)c([C@@H](N)C=O)c1C 259444259 573422463 /nfs/dbraw/zinc/42/24/63/573422463.db2.gz QCOSPOKGGIWCSS-NSHDSACASA-N 0 0 191.274 2.119 10 30 AEEERN Cc1ccsc1[C@H](N)C1(C#N)CC1 259444552 573422836 /nfs/dbraw/zinc/42/28/36/573422836.db2.gz NTLOJFLTXIFOAQ-VIFPVBQESA-N 0 0 192.287 2.360 10 30 AEEERN CCOC(=O)C1(C#N)CCCCCC1 83138006 573422838 /nfs/dbraw/zinc/42/28/38/573422838.db2.gz YMIRBIJBYWVFNV-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C=C(CC=O)Cc1ccccc1O 258023633 573422583 /nfs/dbraw/zinc/42/25/83/573422583.db2.gz BSZJUQGDASHRRU-UHFFFAOYSA-N 0 0 176.215 2.080 10 30 AEEERN CC(=Nc1ccccc1C#N)N(C)C 308380852 573422658 /nfs/dbraw/zinc/42/26/58/573422658.db2.gz UGVKZWBSLDLRJO-UHFFFAOYSA-N 0 0 187.246 2.170 10 30 AEEERN N#Cc1ccc2ccc(F)cc2c1N 260297741 573422663 /nfs/dbraw/zinc/42/26/63/573422663.db2.gz SOWXNFRAXCIBMB-UHFFFAOYSA-N 0 0 186.189 2.433 10 30 AEEERN C[C@H](O)[C@H](C)S[C@@H]1CCC[C@@H]1C#N 235594014 573422678 /nfs/dbraw/zinc/42/26/78/573422678.db2.gz MMWAWYPWCADXTO-AXTSPUMRSA-N 0 0 199.319 2.181 10 30 AEEERN O=CCc1coc2cccc(F)c12 258025951 573422688 /nfs/dbraw/zinc/42/26/88/573422688.db2.gz DLAJUICUERVAQP-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN C#CCC[C@H](CC1CCCCC1)NN 133689590 573422696 /nfs/dbraw/zinc/42/26/96/573422696.db2.gz KVQDDVGADRTQDJ-GFCCVEGCSA-N 0 0 194.322 2.202 10 30 AEEERN Cn1cc(C#N)c2nc(C3CC3)ccc21 259446146 573422711 /nfs/dbraw/zinc/42/27/11/573422711.db2.gz VXAQPACEWGGCII-UHFFFAOYSA-N 0 0 197.241 2.322 10 30 AEEERN Cc1ccc([C@@H](C)CC=O)c(O)c1O 258019194 573422747 /nfs/dbraw/zinc/42/27/47/573422747.db2.gz ICBWPVXXOGFYKZ-ZETCQYMHSA-N 0 0 194.230 2.099 10 30 AEEERN Cc1cc([C@@H](C)C2(C#N)CC2)[nH]n1 259611375 573422882 /nfs/dbraw/zinc/42/28/82/573422882.db2.gz HHFRAFVPAVMILK-MRVPVSSYSA-N 0 0 175.235 2.125 10 30 AEEERN Cn1ccnc1-c1ccc(CC#N)cc1 214886588 573423104 /nfs/dbraw/zinc/42/31/04/573423104.db2.gz PRAQHWQPQZBYFS-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN C[C@H](C#N)Nc1c[nH]c2ccccc12 258650016 573426092 /nfs/dbraw/zinc/42/60/92/573426092.db2.gz ABIPZXXVOXDWNV-MRVPVSSYSA-N 0 0 185.230 2.492 10 30 AEEERN CC(C)(C#N)c1cnc2ccncc2c1 214887720 573426199 /nfs/dbraw/zinc/42/61/99/573426199.db2.gz LYUHDZOINZXACC-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN C#CCC[C@H](CCCCCC)NN 133756689 573426220 /nfs/dbraw/zinc/42/62/20/573426220.db2.gz SBQNIWQVDNYICD-LLVKDONJSA-N 0 0 182.311 2.202 10 30 AEEERN CC(C)(C#N)c1cnc2cnccc2c1 214887655 573426242 /nfs/dbraw/zinc/42/62/42/573426242.db2.gz ZZRMYCDJORKRPQ-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN C=CC[C@H]1C[C@@H](C)CC1=O 144170677 573426255 /nfs/dbraw/zinc/42/62/55/573426255.db2.gz WXOVORUIQJSNHV-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1c(C=O)[nH]c2cccc(C#N)c12 257811666 573425405 /nfs/dbraw/zinc/42/54/05/573425405.db2.gz BGVVAXJJJZJAGW-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN C=C[C@@H](O)[C@]1(SC)CCCS1 238391463 573425619 /nfs/dbraw/zinc/42/56/19/573425619.db2.gz LJOUXOABAKSBMQ-SFYZADRCSA-N 0 0 190.333 2.120 10 30 AEEERN O=CCCc1ccc2sncc2c1 258030210 573425650 /nfs/dbraw/zinc/42/56/50/573425650.db2.gz IWSPYAMTMGLJLO-UHFFFAOYSA-N 0 0 191.255 2.428 10 30 AEEERN CC[C@@H](C#N)NCCC(C)(C)C 130018707 573425673 /nfs/dbraw/zinc/42/56/73/573425673.db2.gz YZJQAMVWWURXLY-VIFPVBQESA-N 0 0 168.284 2.314 10 30 AEEERN CC[C@@H](C)C[C@H](O)C1(C#N)CC1 394433407 573426074 /nfs/dbraw/zinc/42/60/74/573426074.db2.gz YVSSQKUQVACVQK-BDAKNGLRSA-N 0 0 167.252 2.087 10 30 AEEERN C#CCC[C@@H](C[C@@H](C)C(C)(C)C)NN 133763233 573428896 /nfs/dbraw/zinc/42/88/96/573428896.db2.gz HOBZGKLMEMKDEH-MNOVXSKESA-N 0 0 196.338 2.304 10 30 AEEERN Cc1cc2cccc(CC=O)c2n1C 258026919 573428944 /nfs/dbraw/zinc/42/89/44/573428944.db2.gz JUNPJLVZJITSOD-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN Cc1cc(C2(O)CC2)cc(C#N)c1C 258027797 573428105 /nfs/dbraw/zinc/42/81/05/573428105.db2.gz IVFIDYJCOKOCNR-UHFFFAOYSA-N 0 0 187.242 2.157 10 30 AEEERN C=CC[C@@H]1C[C@H](C)CC1=O 144171081 573428108 /nfs/dbraw/zinc/42/81/08/573428108.db2.gz WXOVORUIQJSNHV-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN O=C[C@H]1Cc2cc(F)ccc2S1 258029200 573428251 /nfs/dbraw/zinc/42/82/51/573428251.db2.gz JYYZKNFDMUMSRQ-MRVPVSSYSA-N 0 0 182.219 2.041 10 30 AEEERN C[C@H](CC=O)c1cccc2c1CCO2 258027766 573428378 /nfs/dbraw/zinc/42/83/78/573428378.db2.gz IUECCJPCOXSPML-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN CC(C)=CCC[C@H]1CO1 144118894 573428403 /nfs/dbraw/zinc/42/84/03/573428403.db2.gz JMULBHMOZJKITE-QMMMGPOBSA-N 0 0 126.199 2.132 10 30 AEEERN C=C(C)C[C@@H](SC)C(C)=O 238393094 573428410 /nfs/dbraw/zinc/42/84/10/573428410.db2.gz GRVDNGAIEQCLMK-MRVPVSSYSA-N 0 0 158.266 2.273 10 30 AEEERN Cc1nc2ccccn2c1C1(C#N)CC1 214887587 573428524 /nfs/dbraw/zinc/42/85/24/573428524.db2.gz WXKWZDBRQDPVGO-UHFFFAOYSA-N 0 0 197.241 2.198 10 30 AEEERN O=C[C@H]1Cc2ccccc2C1(F)F 257811450 573428538 /nfs/dbraw/zinc/42/85/38/573428538.db2.gz BBVQZJULHXGJCQ-MRVPVSSYSA-N 0 0 182.169 2.150 10 30 AEEERN COc1ccc(C)cc1[C@](C)(F)C=O 257811319 573428582 /nfs/dbraw/zinc/42/85/82/573428582.db2.gz BDRTWZPHYJFQOY-LLVKDONJSA-N 0 0 196.221 2.387 10 30 AEEERN C[C@@H](C#N)Nc1c[nH]c2ccccc12 258650019 573428595 /nfs/dbraw/zinc/42/85/95/573428595.db2.gz ABIPZXXVOXDWNV-QMMMGPOBSA-N 0 0 185.230 2.492 10 30 AEEERN C=CC[C@@H]1CCC[C@@H]1C=O 144146009 573428609 /nfs/dbraw/zinc/42/86/09/573428609.db2.gz VAEVLFARADVKQP-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C#CCCCOc1ccc(C)nc1 308389539 573428808 /nfs/dbraw/zinc/42/88/08/573428808.db2.gz XCUBKOJBGVVELK-UHFFFAOYSA-N 0 0 175.231 2.182 10 30 AEEERN C=C[C@](C)(O)c1ccccc1[C@@H](C)O 238391919 573428831 /nfs/dbraw/zinc/42/88/31/573428831.db2.gz UCLYTWIHRYPBLF-SKDRFNHKSA-N 0 0 192.258 2.133 10 30 AEEERN C=C(C)COc1cccc(CON)c1 258030221 573428877 /nfs/dbraw/zinc/42/88/77/573428877.db2.gz IWZPIUZZWNSZAK-UHFFFAOYSA-N 0 0 193.246 2.032 10 30 AEEERN CC(C)(C#N)c1ccc(NC=O)cc1 83145168 573429009 /nfs/dbraw/zinc/42/90/09/573429009.db2.gz ZFHWDHCUUZXJBP-UHFFFAOYSA-N 0 0 188.230 2.056 10 30 AEEERN C#CCC[C@@H](C[C@H](C)C(C)(C)C)NN 133763042 573429105 /nfs/dbraw/zinc/42/91/05/573429105.db2.gz HOBZGKLMEMKDEH-QWRGUYRKSA-N 0 0 196.338 2.304 10 30 AEEERN C=CC[C@@H](C)c1cnc(OC)cn1 715805285 573429252 /nfs/dbraw/zinc/42/92/52/573429252.db2.gz AUSUWGBFGLLFPO-MRVPVSSYSA-N 0 0 178.235 2.165 10 30 AEEERN CCC[C@H](C#N)[C@H](O)C1(C)CCC1 686131231 573429290 /nfs/dbraw/zinc/42/92/90/573429290.db2.gz PZCFHMPPZOYBJU-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN C=C1c2ccc(OC)cc2CC[C@@H]1O 238393550 573429353 /nfs/dbraw/zinc/42/93/53/573429353.db2.gz OODOCXKUJQNLSZ-LBPRGKRZSA-N 0 0 190.242 2.016 10 30 AEEERN C#CCC[C@H](C[C@@H](C)C(C)(C)C)NN 133762811 573429391 /nfs/dbraw/zinc/42/93/91/573429391.db2.gz HOBZGKLMEMKDEH-GHMZBOCLSA-N 0 0 196.338 2.304 10 30 AEEERN C#C[C@H](O)C[C@H](C)c1ccc(C)o1 238392666 573429530 /nfs/dbraw/zinc/42/95/30/573429530.db2.gz OYHSHBZWJUJAEJ-WPRPVWTQSA-N 0 0 178.231 2.076 10 30 AEEERN Cc1c(C=O)[nH]c2cc(C#N)ccc12 257812354 573431512 /nfs/dbraw/zinc/43/15/12/573431512.db2.gz BMOADAQBXQJRBO-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN C[C@H](C=O)[C@H]1CCc2c(O)cccc21 257812291 573431553 /nfs/dbraw/zinc/43/15/53/573431553.db2.gz BQOQZSWCLCBQML-RKDXNWHRSA-N 0 0 190.242 2.257 10 30 AEEERN C=CC[C@H](C)Cc1ncnn1CCC 715805210 573431619 /nfs/dbraw/zinc/43/16/19/573431619.db2.gz ADSZBVQRFOKXJJ-JTQLQIEISA-N 0 0 193.294 2.443 10 30 AEEERN O=CC(F)(F)CC1CCSCC1 257812552 573431750 /nfs/dbraw/zinc/43/17/50/573431750.db2.gz BTJNJRJYCZDPFT-UHFFFAOYSA-N 0 0 194.246 2.354 10 30 AEEERN C[C@@H](C=O)[C@@H]1CCc2c(O)cccc21 257812290 573431888 /nfs/dbraw/zinc/43/18/88/573431888.db2.gz BQOQZSWCLCBQML-IUCAKERBSA-N 0 0 190.242 2.257 10 30 AEEERN COc1ccc(SC)c(CC#N)c1 238394091 573432050 /nfs/dbraw/zinc/43/20/50/573432050.db2.gz KEBDCDCXSPYAFJ-UHFFFAOYSA-N 0 0 193.271 2.483 10 30 AEEERN COc1cnc(C(F)F)c(CC#N)c1 238394699 573432916 /nfs/dbraw/zinc/43/29/16/573432916.db2.gz SEUWUGNQPLWSSB-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CC(=O)c1ccc(NCS)cc1 258649350 573432981 /nfs/dbraw/zinc/43/29/81/573432981.db2.gz MNYUXGRUCKOUJM-UHFFFAOYSA-N 0 0 181.260 2.188 10 30 AEEERN CN[C@H](c1cccs1)C1(C#N)CC1 259449078 573433079 /nfs/dbraw/zinc/43/30/79/573433079.db2.gz OWFFHVCQZSKXBB-SECBINFHSA-N 0 0 192.287 2.312 10 30 AEEERN C[C@H](C=O)[C@@H]1CCc2c(O)cccc21 257812288 573433263 /nfs/dbraw/zinc/43/32/63/573433263.db2.gz BQOQZSWCLCBQML-BDAKNGLRSA-N 0 0 190.242 2.257 10 30 AEEERN Fc1cccc(NC2=NCCC2)c1F 86454862 573433325 /nfs/dbraw/zinc/43/33/25/573433325.db2.gz LYEZLBUPUUTGBW-UHFFFAOYSA-N 0 0 196.200 2.378 10 30 AEEERN COc1ccc(SC)cc1C#N 238394343 573433576 /nfs/dbraw/zinc/43/35/76/573433576.db2.gz NBWRGCJPHXYXTQ-UHFFFAOYSA-N 0 0 179.244 2.289 10 30 AEEERN COc1cnc(C(F)F)c(C)c1C#N 238393814 573433763 /nfs/dbraw/zinc/43/37/63/573433763.db2.gz HIOIUFWXZCLPAY-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C[C@@H](C=O)[C@H]1CCc2c(O)cccc21 257812289 573433839 /nfs/dbraw/zinc/43/38/39/573433839.db2.gz BQOQZSWCLCBQML-DTWKUNHWSA-N 0 0 190.242 2.257 10 30 AEEERN C=C1CCC(=O)[C@@H](SC)C1 238394885 573435186 /nfs/dbraw/zinc/43/51/86/573435186.db2.gz VYNTYZILTVALEF-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN CN[C@@H](c1cccs1)C1(C#N)CC1 259449079 573435308 /nfs/dbraw/zinc/43/53/08/573435308.db2.gz OWFFHVCQZSKXBB-VIFPVBQESA-N 0 0 192.287 2.312 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)C1(C)CCC1 686131227 573435336 /nfs/dbraw/zinc/43/53/36/573435336.db2.gz PZCFHMPPZOYBJU-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN COc1c(C)c(F)cc(C#N)c1C 258031018 573435441 /nfs/dbraw/zinc/43/54/41/573435441.db2.gz PBZZJOJOWCGDDS-UHFFFAOYSA-N 0 0 179.194 2.323 10 30 AEEERN O=CCCc1cccc2c1SCC2 258030256 573435472 /nfs/dbraw/zinc/43/54/72/573435472.db2.gz IXXKZTBNFQOLLT-UHFFFAOYSA-N 0 0 192.283 2.466 10 30 AEEERN C=C1CCC=C[C@@H]2C(=O)CC[C@H]12 34479015 573435590 /nfs/dbraw/zinc/43/55/90/573435590.db2.gz FYGXDOQHNOIVBF-ZJUUUORDSA-N 0 0 162.232 2.488 10 30 AEEERN O=CC(F)(F)c1ccc(F)cc1F 257812598 573435651 /nfs/dbraw/zinc/43/56/51/573435651.db2.gz BVPRZOCMSVZRGX-UHFFFAOYSA-N 0 0 192.111 2.256 10 30 AEEERN C=CCn1ccc(=S)cc1 38233993 573435683 /nfs/dbraw/zinc/43/56/83/573435683.db2.gz RECYKWAQSHMYDY-UHFFFAOYSA-N 0 0 151.234 2.404 10 30 AEEERN N/C(CCCCc1ccccc1)=N/O 126228500 573435712 /nfs/dbraw/zinc/43/57/12/573435712.db2.gz MYGZJIKTECXEAH-UHFFFAOYSA-N 0 0 192.262 2.146 10 30 AEEERN C=C(C)[C@H](SC)[C@@H](O)/C=C/C 238394324 573435815 /nfs/dbraw/zinc/43/58/15/573435815.db2.gz WGIYJRMFXRXWLU-MUNZNRDXSA-N 0 0 172.293 2.231 10 30 AEEERN CCCC(C)(C)NC(=O)C(C)(C)C#N 126225992 573435908 /nfs/dbraw/zinc/43/59/08/573435908.db2.gz MUOWQJRTKCEHRW-UHFFFAOYSA-N 0 0 196.294 2.231 10 30 AEEERN N#C[C@H](c1ncccn1)C1CCCC1 259103046 573435939 /nfs/dbraw/zinc/43/59/39/573435939.db2.gz KAAFCJRXTQFMBD-JTQLQIEISA-N 0 0 187.246 2.274 10 30 AEEERN C=C(Cl)Cc1cc(C)oc1CO 144274800 573435958 /nfs/dbraw/zinc/43/59/58/573435958.db2.gz MICGYSOVWOLMMI-UHFFFAOYSA-N 0 0 186.638 2.375 10 30 AEEERN C=C1C[C@H](O)c2cccc(OC)c21 144280238 573436020 /nfs/dbraw/zinc/43/60/20/573436020.db2.gz AYWUHLSCSVAEIX-VIFPVBQESA-N 0 0 176.215 2.146 10 30 AEEERN CS[C@H]1CCCC[C@H]1C=O 238395418 573436686 /nfs/dbraw/zinc/43/66/86/573436686.db2.gz WMOZVAVVFAMRLF-YUMQZZPRSA-N 0 0 158.266 2.107 10 30 AEEERN Cc1cccc(C)c1[C@H](O)CCC=O 308582255 573436739 /nfs/dbraw/zinc/43/67/39/573436739.db2.gz KHYCQCYJJONYIO-LLVKDONJSA-N 0 0 192.258 2.316 10 30 AEEERN COc1ccc(O)c(C#CC2CC2)c1 238395686 573437364 /nfs/dbraw/zinc/43/73/64/573437364.db2.gz VEORWSRZZHOHBF-UHFFFAOYSA-N 0 0 188.226 2.162 10 30 AEEERN C#CCONC(C1CCC1)C1CCC1 308582415 573437479 /nfs/dbraw/zinc/43/74/79/573437479.db2.gz PZWWJTYJJWUFLD-UHFFFAOYSA-N 0 0 193.290 2.110 10 30 AEEERN CO[C@H]1C=C(C)[C@@H](C=O)C(C)(C)C1 238395769 573437656 /nfs/dbraw/zinc/43/76/56/573437656.db2.gz RPGJZLMJOFKAJE-VHSXEESVSA-N 0 0 182.263 2.193 10 30 AEEERN N#C[C@@H](c1ncccn1)C1CCCC1 259103049 573437833 /nfs/dbraw/zinc/43/78/33/573437833.db2.gz KAAFCJRXTQFMBD-SNVBAGLBSA-N 0 0 187.246 2.274 10 30 AEEERN COc1c(O)cccc1[C@@H](C)CC=O 258021552 573437992 /nfs/dbraw/zinc/43/79/92/573437992.db2.gz IEQUBFLXLYWVIU-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN Cc1cccc(C)c1[C@@H](O)CCC=O 308582257 573438016 /nfs/dbraw/zinc/43/80/16/573438016.db2.gz KHYCQCYJJONYIO-NSHDSACASA-N 0 0 192.258 2.316 10 30 AEEERN C=CCc1cc(OC)c(C)cc1O 238396245 573438020 /nfs/dbraw/zinc/43/80/20/573438020.db2.gz XVLLOBHBZDSULO-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 AEEERN O/N=C/c1csc(Cl)c1 118908636 573438242 /nfs/dbraw/zinc/43/82/42/573438242.db2.gz PKUDQSSSRDAWQZ-FARCUNLSSA-N 0 0 161.613 2.210 10 30 AEEERN C[C@H]1Cc2ccc(CC=O)cc2S1 258031532 573438324 /nfs/dbraw/zinc/43/83/24/573438324.db2.gz KBVCBLLQDBITID-QMMMGPOBSA-N 0 0 192.283 2.465 10 30 AEEERN C#C/C=C/[C@H](C)[C@H]1CCCC[C@@H]1O 238395400 573438576 /nfs/dbraw/zinc/43/85/76/573438576.db2.gz KZRQDFISQYHYGH-LKWHRCOASA-N 0 0 178.275 2.363 10 30 AEEERN O=CCCc1ccc2[nH]ccc2c1O 258021821 573438410 /nfs/dbraw/zinc/43/84/10/573438410.db2.gz IKHKGMGZFMVUQT-UHFFFAOYSA-N 0 0 189.214 2.005 10 30 AEEERN COc1cc(C)c(OC)c(C#N)c1C 258021796 573438440 /nfs/dbraw/zinc/43/84/40/573438440.db2.gz IJRSHDYAEHKCTL-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN Cc1ncc2sc(CC#N)c(C)n12 259451045 573438554 /nfs/dbraw/zinc/43/85/54/573438554.db2.gz OAQTWVFCCWHKPC-UHFFFAOYSA-N 0 0 191.259 2.079 10 30 AEEERN CO[C@H]1C=C(C)[C@H](C=O)C(C)(C)C1 238395744 573438615 /nfs/dbraw/zinc/43/86/15/573438615.db2.gz RPGJZLMJOFKAJE-UWVGGRQHSA-N 0 0 182.263 2.193 10 30 AEEERN CCCCC[C@@H](O)C[C@]1(C)CO1 238215522 573438668 /nfs/dbraw/zinc/43/86/68/573438668.db2.gz UQJISOJDOSUCMV-NXEZZACHSA-N 0 0 172.268 2.107 10 30 AEEERN CC1C(=O)C(=O)C(C)(C)[C@@H]1C 238395672 573438680 /nfs/dbraw/zinc/43/86/80/573438680.db2.gz GIOBRXKEAWESPQ-ZCFIWIBFSA-N 0 0 154.209 2.063 10 30 AEEERN CS[C@H]1CCCC[C@@H]1C=O 238395332 573438762 /nfs/dbraw/zinc/43/87/62/573438762.db2.gz WMOZVAVVFAMRLF-SFYZADRCSA-N 0 0 158.266 2.107 10 30 AEEERN CSc1cccc(O)c1CC#N 258022016 573438847 /nfs/dbraw/zinc/43/88/47/573438847.db2.gz OEDNSQWUSRTJHF-UHFFFAOYSA-N 0 0 179.244 2.180 10 30 AEEERN C=CCC(=O)C[C@H](O)/C=C/CCC 238215691 573438871 /nfs/dbraw/zinc/43/88/71/573438871.db2.gz CUSVBLVSRPDPLB-LXSSAFMLSA-N 0 0 182.263 2.239 10 30 AEEERN C[C@@H]1CCCC[C@](C)(C#N)C1=O 238396129 573439003 /nfs/dbraw/zinc/43/90/03/573439003.db2.gz JOXNCMJIHSOCJS-PSASIEDQSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)C[C@]1(C=O)CCCC[C@H]1C 238396429 573439136 /nfs/dbraw/zinc/43/91/36/573439136.db2.gz VLKSWRBFJFNALM-KOLCDFICSA-N 0 0 182.263 2.361 10 30 AEEERN C=C[C@H](O)/C=C/c1ccc(F)cc1 34436065 573439209 /nfs/dbraw/zinc/43/92/09/573439209.db2.gz RTPOTLKWRDTSDX-BWNDKRECSA-N 0 0 178.206 2.386 10 30 AEEERN CS[C@H]1CCC=CC(=O)C1 238395120 573439256 /nfs/dbraw/zinc/43/92/56/573439256.db2.gz OERJYYRTUYYNFF-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN C[C@@H](CO)[C@H](CC#N)c1ccccc1 308582625 573439509 /nfs/dbraw/zinc/43/95/09/573439509.db2.gz KQGFIMJNHDWULV-JQWIXIFHSA-N 0 0 189.258 2.312 10 30 AEEERN COC(=O)C1(C#N)CC2(CCCC2)C1 83165624 573439546 /nfs/dbraw/zinc/43/95/46/573439546.db2.gz IWXUUMJZAONWHA-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN CC(C)=CC(=O)COC1CCC1 714938595 573439606 /nfs/dbraw/zinc/43/96/06/573439606.db2.gz RRJMQVIJDUGZJT-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@@H](CO)[C@@H](CC#N)c1ccccc1 308582624 573439880 /nfs/dbraw/zinc/43/98/80/573439880.db2.gz KQGFIMJNHDWULV-CMPLNLGQSA-N 0 0 189.258 2.312 10 30 AEEERN C[C@@H](C[C@@](C)(N)C#N)c1ccccc1 238395524 573439916 /nfs/dbraw/zinc/43/99/16/573439916.db2.gz FWKITMCSWVMMFP-CMPLNLGQSA-N 0 0 188.274 2.421 10 30 AEEERN COC(=O)C1(C#N)CC(C(C)(C)C)C1 83181721 573440014 /nfs/dbraw/zinc/44/00/14/573440014.db2.gz LNTAERPMJZCVIW-UHFFFAOYSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H](CO)[C@@H](CC#N)c1ccccc1 308582627 573441035 /nfs/dbraw/zinc/44/10/35/573441035.db2.gz KQGFIMJNHDWULV-ZYHUDNBSSA-N 0 0 189.258 2.312 10 30 AEEERN CC#CCCc1ccc(O)cc1OC 238396910 573441280 /nfs/dbraw/zinc/44/12/80/573441280.db2.gz VKOBOOSXMUNDKN-UHFFFAOYSA-N 0 0 190.242 2.357 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@H]1SC 238397138 573442415 /nfs/dbraw/zinc/44/24/15/573442415.db2.gz DUBAPGQKPSFQNQ-CBAPKCEASA-N 0 0 170.277 2.273 10 30 AEEERN CCCCC[C@@H](O)[C@@H](C)CC#N 238215725 573442446 /nfs/dbraw/zinc/44/24/46/573442446.db2.gz XBSVVSSRQXNJJO-VHSXEESVSA-N 0 0 169.268 2.477 10 30 AEEERN C/C=C\CCNc1ccc(C#N)cn1 308390455 573442603 /nfs/dbraw/zinc/44/26/03/573442603.db2.gz JTGIAKCKBIPXJV-IHWYPQMZSA-N 0 0 187.246 2.331 10 30 AEEERN C=CCNc1cccc(COC)c1 50522178 573442678 /nfs/dbraw/zinc/44/26/78/573442678.db2.gz DVEFLGINESSESA-UHFFFAOYSA-N 0 0 177.247 2.431 10 30 AEEERN O=C[C@@H](F)c1ccc2c(c1)OCCC2 257813581 573442804 /nfs/dbraw/zinc/44/28/04/573442804.db2.gz CERRUJUVDRFRTH-SNVBAGLBSA-N 0 0 194.205 2.221 10 30 AEEERN C=C(C)[C@H]1CCC(=O)[C@H]1SC 238396851 573442827 /nfs/dbraw/zinc/44/28/27/573442827.db2.gz DUBAPGQKPSFQNQ-APPZFPTMSA-N 0 0 170.277 2.273 10 30 AEEERN C=C(CC(=O)OC)c1ccc(C)o1 258023517 573442927 /nfs/dbraw/zinc/44/29/27/573442927.db2.gz BSFIGPDUROUSGY-UHFFFAOYSA-N 0 0 180.203 2.164 10 30 AEEERN CCC(=O)C#Cc1ccc(C)cc1 34596600 573443054 /nfs/dbraw/zinc/44/30/54/573443054.db2.gz JMZAPZQSJCYLEB-UHFFFAOYSA-N 0 0 172.227 2.326 10 30 AEEERN CO[C@@H]1CCCC(C(C)=O)=C1C 238397412 573444039 /nfs/dbraw/zinc/44/40/39/573444039.db2.gz ALJGLYYOCCKHHE-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@H]1C=C2CCC(=O)C=C2C1 238396831 573444132 /nfs/dbraw/zinc/44/41/32/573444132.db2.gz NLWCVBCTXWUQSP-ZETCQYMHSA-N 0 0 148.205 2.242 10 30 AEEERN CC1=C[C@@H](C)[C@H]2CC=C(C2)C1=O 238397714 573444212 /nfs/dbraw/zinc/44/42/12/573444212.db2.gz VSNDLTGHCVVNRA-JEZHCXPESA-N 0 0 162.232 2.344 10 30 AEEERN CCCCCC(=O)O[C@H](C)CC#N 308390524 573444241 /nfs/dbraw/zinc/44/42/41/573444241.db2.gz ZFHNOCLYWRTNDV-SECBINFHSA-N 0 0 183.251 2.412 10 30 AEEERN CC(=O)C=C(C)N[C@H](CO)CC(C)C 308586868 573444262 /nfs/dbraw/zinc/44/42/62/573444262.db2.gz MRBYVUXNKCKPFZ-RUFQWKIZSA-N 0 0 199.294 2.316 10 30 AEEERN C=CC[C@@H](O)/C(C)=C/c1ccccn1 308586095 573444332 /nfs/dbraw/zinc/44/43/32/573444332.db2.gz MIUKPWFJBWUKQH-BZYZDCJZSA-N 0 0 189.258 2.422 10 30 AEEERN C=CC[C@@H]1C[C@@H](CC#N)CC1=O 144258719 573444554 /nfs/dbraw/zinc/44/45/54/573444554.db2.gz QCZGPYJKBAUPOZ-RKDXNWHRSA-N 0 0 163.220 2.071 10 30 AEEERN CCCCCC(C)=Nn1cncn1 308390037 573444646 /nfs/dbraw/zinc/44/46/46/573444646.db2.gz YZMRVSGWRTUVMQ-UHFFFAOYSA-N 0 0 180.255 2.082 10 30 AEEERN CCCc1ccnc(C(C)(C)C#N)n1 259103708 573444761 /nfs/dbraw/zinc/44/47/61/573444761.db2.gz NZIARDTWTHDKMB-UHFFFAOYSA-N 0 0 189.262 2.230 10 30 AEEERN CC[C@H]1CC/C(=N\OC)C1 144235687 573444763 /nfs/dbraw/zinc/44/47/63/573444763.db2.gz UHSRMWCJEMKBBS-MXMZYCHESA-N 0 0 141.214 2.199 10 30 AEEERN C=CCCCC(=O)[C@@H](CC)OC 131698107 573451390 /nfs/dbraw/zinc/45/13/90/573451390.db2.gz VHIDIDUKGLZCNE-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN Cc1nsc2oc(C#N)cc12 259449746 573446979 /nfs/dbraw/zinc/44/69/79/573446979.db2.gz WITCDTNTDFBEAC-UHFFFAOYSA-N 0 0 164.189 2.069 10 30 AEEERN C=C[C@H](O)[C@@]1(SC)CCCS1 238398905 573447047 /nfs/dbraw/zinc/44/70/47/573447047.db2.gz LJOUXOABAKSBMQ-JGVFFNPUSA-N 0 0 190.333 2.120 10 30 AEEERN Cc1ccc(-c2[nH]ccc2C#N)o1 259611251 573447895 /nfs/dbraw/zinc/44/78/95/573447895.db2.gz HDFWZKWDALXPIR-UHFFFAOYSA-N 0 0 172.187 2.455 10 30 AEEERN C[C@H](C#N)N(C)CCC1CCCC1 258656850 573447060 /nfs/dbraw/zinc/44/70/60/573447060.db2.gz ANLVAZXJBZJUOU-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CCCCN=CNc1cccnc1 238218657 573447147 /nfs/dbraw/zinc/44/71/47/573447147.db2.gz ZKZIRYYSUMBHNO-UHFFFAOYSA-N 0 0 177.251 2.131 10 30 AEEERN CSC(=NCCC(C)(C)C)NC#N 130057701 573447156 /nfs/dbraw/zinc/44/71/56/573447156.db2.gz XSSRLBNXRBWGCF-UHFFFAOYSA-N 0 0 199.323 2.212 10 30 AEEERN C=CCCC[C@H](O)C#CSC 238399135 573447260 /nfs/dbraw/zinc/44/72/60/573447260.db2.gz JBTFAWXXMMVHBP-VIFPVBQESA-N 0 0 170.277 2.028 10 30 AEEERN N#Cc1ccc(N[C@H]2C[C@H]2C2CC2)cn1 308865229 573447303 /nfs/dbraw/zinc/44/73/03/573447303.db2.gz DVJPXEBHBMSGIC-RYUDHWBXSA-N 0 0 199.257 2.164 10 30 AEEERN Cc1cc(C(C)C)nc(CCC#N)n1 259104028 573447557 /nfs/dbraw/zinc/44/75/57/573447557.db2.gz ODEKTJKWIVVBFW-UHFFFAOYSA-N 0 0 189.262 2.365 10 30 AEEERN N#Cc1ccc(N[C@H]2C[C@@H]2C2CC2)cn1 308865227 573447600 /nfs/dbraw/zinc/44/76/00/573447600.db2.gz DVJPXEBHBMSGIC-NEPJUHHUSA-N 0 0 199.257 2.164 10 30 AEEERN C#C[C@@H](O)C[C@H](C)c1ccc(C)o1 238398356 573447669 /nfs/dbraw/zinc/44/76/69/573447669.db2.gz OYHSHBZWJUJAEJ-WCBMZHEXSA-N 0 0 178.231 2.076 10 30 AEEERN C[C@@H](C#N)N(C)CCC1CCCC1 258656844 573447721 /nfs/dbraw/zinc/44/77/21/573447721.db2.gz ANLVAZXJBZJUOU-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN COc1cc2cnsc2cc1C#N 238405963 573447737 /nfs/dbraw/zinc/44/77/37/573447737.db2.gz GYSDTAYZZUIOMN-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN C=C(CC)CC(=O)[C@H](CC)OC 131687297 573447766 /nfs/dbraw/zinc/44/77/66/573447766.db2.gz FVHROTPKIIFRJV-JTQLQIEISA-N 0 0 170.252 2.337 10 30 AEEERN N#CCCCCOC1CCC1 50520512 573448110 /nfs/dbraw/zinc/44/81/10/573448110.db2.gz WSSRFBPNKUGSAA-UHFFFAOYSA-N 0 0 153.225 2.249 10 30 AEEERN C=CCNc1nc2cc(F)ccc2[nH]1 236224829 573450964 /nfs/dbraw/zinc/45/09/64/573450964.db2.gz ITOAEWVSMLHJQL-UHFFFAOYSA-N 0 0 191.209 2.300 10 30 AEEERN C=C[C@@H](O)[C@@]1(SC)CCCS1 238398918 573448414 /nfs/dbraw/zinc/44/84/14/573448414.db2.gz LJOUXOABAKSBMQ-HTQZYQBOSA-N 0 0 190.333 2.120 10 30 AEEERN C=CC[C@@H](C)Cc1nccn1C 715806953 573448479 /nfs/dbraw/zinc/44/84/79/573448479.db2.gz MUSLBCCOUPYLIK-SECBINFHSA-N 0 0 164.252 2.175 10 30 AEEERN C=CC[C@H](C)Cc1nccn1C 715806954 573448577 /nfs/dbraw/zinc/44/85/77/573448577.db2.gz MUSLBCCOUPYLIK-VIFPVBQESA-N 0 0 164.252 2.175 10 30 AEEERN CC[C@H](C)CNc1ccnc(C#N)c1 61812320 573448699 /nfs/dbraw/zinc/44/86/99/573448699.db2.gz VFLXHYUTMCYNJK-VIFPVBQESA-N 0 0 189.262 2.411 10 30 AEEERN C[C@@H]1CNc2c(C#N)cccc21 238406059 573448722 /nfs/dbraw/zinc/44/87/22/573448722.db2.gz XRRWPAGOWBANES-SSDOTTSWSA-N 0 0 158.204 2.087 10 30 AEEERN CSC#C[C@@H](O)c1cccs1 238399160 573448729 /nfs/dbraw/zinc/44/87/29/573448729.db2.gz UWSDQNDAFPQECW-SSDOTTSWSA-N 0 0 184.285 2.105 10 30 AEEERN C[C@@H](O)C#CCSc1ccccc1 34546015 573448786 /nfs/dbraw/zinc/44/87/86/573448786.db2.gz FNBJCZVFDRJDFR-SNVBAGLBSA-N 0 0 192.283 2.163 10 30 AEEERN N#Cc1cc(-c2ccco2)sc1N 259453421 573448891 /nfs/dbraw/zinc/44/88/91/573448891.db2.gz LBTOFEIIEUMWCJ-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN COc1cccc2oc(CC=O)cc12 258349389 573448930 /nfs/dbraw/zinc/44/89/30/573448930.db2.gz YHMPHFHWBQRQKV-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN C#C[C@@H](C)C[C@H](O)c1ccccc1 238398822 573449017 /nfs/dbraw/zinc/44/90/17/573449017.db2.gz FFGCQFIPBJAOCL-PWSUYJOCSA-N 0 0 174.243 2.379 10 30 AEEERN C=CCCC[C@@H](O)C#CSC 238399175 573449269 /nfs/dbraw/zinc/44/92/69/573449269.db2.gz JBTFAWXXMMVHBP-SECBINFHSA-N 0 0 170.277 2.028 10 30 AEEERN COc1cccc2coc(C#N)c12 238406095 573449363 /nfs/dbraw/zinc/44/93/63/573449363.db2.gz CGSUSWHNYOWXJI-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN C=CC[C@@H]1NC(=O)c2ccccc21 34567459 573449472 /nfs/dbraw/zinc/44/94/72/573449472.db2.gz YBBANKJRBGSHKM-JTQLQIEISA-N 0 0 173.215 2.047 10 30 AEEERN N#CCCC(F)(F)c1cccnc1 107257153 573449560 /nfs/dbraw/zinc/44/95/60/573449560.db2.gz WMGVTBHEMDSZIT-UHFFFAOYSA-N 0 0 182.173 2.477 10 30 AEEERN C=CC[C@]1(O)CCc2c(O)cccc21 34545981 573449652 /nfs/dbraw/zinc/44/96/52/573449652.db2.gz ZRWDWCNGDHHKKB-LBPRGKRZSA-N 0 0 190.242 2.102 10 30 AEEERN N#CCC(F)(F)c1cccnc1 107257149 573449733 /nfs/dbraw/zinc/44/97/33/573449733.db2.gz DOHXSKUMJSDMPJ-UHFFFAOYSA-N 0 0 168.146 2.087 10 30 AEEERN C[C@@H](F)C/N=C(\F)[C@H](F)Cl 142542088 573449880 /nfs/dbraw/zinc/44/98/80/573449880.db2.gz HDEGKIPBCVLYIO-RQFLZWCISA-N 0 0 173.565 2.247 10 30 AEEERN C=C1C=C[C@@H](C)[C@@H](C(C)=O)C1 238399215 573449883 /nfs/dbraw/zinc/44/98/83/573449883.db2.gz XTBWNFNUSWLPSY-SCZZXKLOSA-N 0 0 150.221 2.344 10 30 AEEERN N#CC1CCN(Cc2ccoc2)CC1 124372925 573449964 /nfs/dbraw/zinc/44/99/64/573449964.db2.gz ZYGVZGDRYNLHIT-UHFFFAOYSA-N 0 0 190.246 2.015 10 30 AEEERN C[C@H](C=O)Cc1ccc(Cl)c(O)c1 238406024 573449988 /nfs/dbraw/zinc/44/99/88/573449988.db2.gz GFMOFNCDHWIPAB-ZETCQYMHSA-N 0 0 198.649 2.423 10 30 AEEERN CCc1nsc2oc(C#N)cc12 259449702 573449995 /nfs/dbraw/zinc/44/99/95/573449995.db2.gz WIEVSAOPOHYFCE-UHFFFAOYSA-N 0 0 178.216 2.323 10 30 AEEERN N#C[C@H]1CCCC[C@@H]1F 107257245 573449999 /nfs/dbraw/zinc/44/99/99/573449999.db2.gz MLSSYRQKQOLXLN-RQJHMYQMSA-N 0 0 127.162 2.038 10 30 AEEERN CSC(=S)C(=O)C=C(C)C 238405944 573450023 /nfs/dbraw/zinc/45/00/23/573450023.db2.gz YTGHTYZKHJUEQP-UHFFFAOYSA-N 0 0 174.290 2.212 10 30 AEEERN C=CC[C@@H](C)CCCS(C)(=O)=O 715808858 573450047 /nfs/dbraw/zinc/45/00/47/573450047.db2.gz YLSGRJKCEFVXBD-SECBINFHSA-N 0 0 190.308 2.023 10 30 AEEERN C[C@H](C=O)Cc1ccc(Cl)c(N)c1 238406001 573450087 /nfs/dbraw/zinc/45/00/87/573450087.db2.gz IMRJQFPGUCMGLV-ZETCQYMHSA-N 0 0 197.665 2.300 10 30 AEEERN N#CC1CCC(F)CC1 107257251 573450092 /nfs/dbraw/zinc/45/00/92/573450092.db2.gz SGQQHBIUKBMXDV-UHFFFAOYSA-N 0 0 127.162 2.038 10 30 AEEERN C=C(CO)CCCCC 34514699 573450133 /nfs/dbraw/zinc/45/01/33/573450133.db2.gz ZDCXFAUCMSLSNL-UHFFFAOYSA-N 0 0 128.215 2.115 10 30 AEEERN N#C[C@H]1CCCC[C@H]1F 107257248 573450458 /nfs/dbraw/zinc/45/04/58/573450458.db2.gz MLSSYRQKQOLXLN-RNFRBKRXSA-N 0 0 127.162 2.038 10 30 AEEERN C=CC[C@@H](C)Cc1cnn(C)c1 715809100 573450506 /nfs/dbraw/zinc/45/05/06/573450506.db2.gz ZVXOAHSBSUBJQY-SECBINFHSA-N 0 0 164.252 2.175 10 30 AEEERN C[C@H](F)C/N=C(\F)[C@@H](F)Cl 142541490 573451717 /nfs/dbraw/zinc/45/17/17/573451717.db2.gz HDEGKIPBCVLYIO-GDNAHYHBSA-N 0 0 173.565 2.247 10 30 AEEERN CC[C@H](CC=O)C(C)(C)F 258495929 573450718 /nfs/dbraw/zinc/45/07/18/573450718.db2.gz KPFRXAVPFFZNKX-SSDOTTSWSA-N 0 0 146.205 2.350 10 30 AEEERN CC[C@@H](CC=O)C(C)(C)F 258495936 573450911 /nfs/dbraw/zinc/45/09/11/573450911.db2.gz KPFRXAVPFFZNKX-ZETCQYMHSA-N 0 0 146.205 2.350 10 30 AEEERN COc1cnc(C)c(C#N)c1C(F)F 238401248 573451077 /nfs/dbraw/zinc/45/10/77/573451077.db2.gz ADLVFAJFFHJJJD-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCCc1ccc([C@@H](C#N)NC)cc1 259612025 573451137 /nfs/dbraw/zinc/45/11/37/573451137.db2.gz YMRSWTFUNPRJIC-GFCCVEGCSA-N 0 0 188.274 2.423 10 30 AEEERN C=C1CCC(CCC)=C[C@H]1O 34588678 573451144 /nfs/dbraw/zinc/45/11/44/573451144.db2.gz WXSALRYIKROJHK-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN N#CCOc1ccccc1-n1cccc1 93965377 573451203 /nfs/dbraw/zinc/45/12/03/573451203.db2.gz AOZCTMHHLKGRPE-UHFFFAOYSA-N 0 0 198.225 2.380 10 30 AEEERN Cc1c(C=O)c2cc(C#N)ccc2n1C 257817318 573451228 /nfs/dbraw/zinc/45/12/28/573451228.db2.gz CGFAPDKACGVJOS-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN N#CCC(F)(F)C(F)(F)F 107257965 573451245 /nfs/dbraw/zinc/45/12/45/573451245.db2.gz KFJAZWNHSIUACO-UHFFFAOYSA-N 0 0 159.057 2.098 10 30 AEEERN C=C(CC=O)C[C@H]1CCSC1 258348362 573451362 /nfs/dbraw/zinc/45/13/62/573451362.db2.gz YGIXTCBJFBKESZ-SECBINFHSA-N 0 0 170.277 2.275 10 30 AEEERN C#Cc1ccc(C(C)(C)C)cn1 142557760 573451637 /nfs/dbraw/zinc/45/16/37/573451637.db2.gz PXMOGNNWQKFFQE-UHFFFAOYSA-N 0 0 159.232 2.360 10 30 AEEERN Fc1ccc(C2(CS)COC2)cc1 258660849 573454102 /nfs/dbraw/zinc/45/41/02/573454102.db2.gz DWETWPBXMKPPPC-UHFFFAOYSA-N 0 0 198.262 2.024 10 30 AEEERN CC[C@@H](C)OC/C=C\CS 211646120 573452276 /nfs/dbraw/zinc/45/22/76/573452276.db2.gz DEBRQSIXMGFYIV-PULIVWKDSA-N 0 0 160.282 2.288 10 30 AEEERN N#Cc1ccc(N[C@@H]2C[C@H]2C2CC2)cn1 308865228 573452413 /nfs/dbraw/zinc/45/24/13/573452413.db2.gz DVJPXEBHBMSGIC-NWDGAFQWSA-N 0 0 199.257 2.164 10 30 AEEERN C#C/C=C/N[C@H](C)c1ccccc1 238401678 573452462 /nfs/dbraw/zinc/45/24/62/573452462.db2.gz JXFCHTPNRFYENU-LLMHMKPQSA-N 0 0 171.243 2.484 10 30 AEEERN CC(C)(S)Cc1ccncc1 258661080 573452492 /nfs/dbraw/zinc/45/24/92/573452492.db2.gz DXXUSAXOFOFPLH-UHFFFAOYSA-N 0 0 167.277 2.333 10 30 AEEERN COc1cc2[nH]ccc2cc1C#N 238400535 573452534 /nfs/dbraw/zinc/45/25/34/573452534.db2.gz GCUJAUAHRFFUQZ-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN C=C(CC)[C@H](O)CCC 34582304 573452538 /nfs/dbraw/zinc/45/25/38/573452538.db2.gz UCBUYFVJWWIUEO-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN N#C[C@@H]1CCCC[C@@H]1F 107257238 573452543 /nfs/dbraw/zinc/45/25/43/573452543.db2.gz MLSSYRQKQOLXLN-BQBZGAKWSA-N 0 0 127.162 2.038 10 30 AEEERN O=CC(F)(F)Cc1cccc(F)c1 257817219 573452561 /nfs/dbraw/zinc/45/25/61/573452561.db2.gz DROQAPPZIOHLBJ-UHFFFAOYSA-N 0 0 188.148 2.202 10 30 AEEERN COc1ncc(C(F)F)cc1CC#N 238406181 573452609 /nfs/dbraw/zinc/45/26/09/573452609.db2.gz VFTVGCTVNHGNHP-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN COc1ncc(C#N)c(C)c1C(F)F 238400550 573452938 /nfs/dbraw/zinc/45/29/38/573452938.db2.gz ZKHYXTGFIPFHKX-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CC1=CCCC[C@H](O)[C@]2(C)O[C@H]2CC1 308591069 573453157 /nfs/dbraw/zinc/45/31/57/573453157.db2.gz OUMOHHQJMBYPRX-SRVKXCTJSA-N 0 0 196.290 2.415 10 30 AEEERN C=C(CC=O)C[C@@H]1CCSC1 258348364 573453097 /nfs/dbraw/zinc/45/30/97/573453097.db2.gz YGIXTCBJFBKESZ-VIFPVBQESA-N 0 0 170.277 2.275 10 30 AEEERN Cc1c(C=O)[nH]c2ccc(C#N)cc12 257816747 573453219 /nfs/dbraw/zinc/45/32/19/573453219.db2.gz DKKRGJOLAQDCHD-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN C=CC(=O)[C@@H]1CCC=C[C@H]1C 238401106 573453268 /nfs/dbraw/zinc/45/32/68/573453268.db2.gz OXQDKLVUGGCCNH-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN CN(C)[C@@H](S)c1ccccc1 259456581 573456803 /nfs/dbraw/zinc/45/68/03/573456803.db2.gz JLXWZOZTUDSQKU-VIFPVBQESA-N 0 0 167.277 2.177 10 30 AEEERN C#CCn1cc(C(C)=O)c2ccccc21 259454532 573454183 /nfs/dbraw/zinc/45/41/83/573454183.db2.gz MIXYWHMRRMYTGE-UHFFFAOYSA-N 0 0 197.237 2.477 10 30 AEEERN CC(C)C[C@H](C#N)c1ccncn1 258658184 573454185 /nfs/dbraw/zinc/45/41/85/573454185.db2.gz UHECCRKXKXRMIV-SECBINFHSA-N 0 0 175.235 2.130 10 30 AEEERN CC1=CCCC[C@H](O)[C@@]2(C)O[C@H]2CC1 308591068 573454326 /nfs/dbraw/zinc/45/43/26/573454326.db2.gz OUMOHHQJMBYPRX-SDDRHHMPSA-N 0 0 196.290 2.415 10 30 AEEERN C=CC[C@H](C)Cc1cnn(C)c1 715809104 573454348 /nfs/dbraw/zinc/45/43/48/573454348.db2.gz ZVXOAHSBSUBJQY-VIFPVBQESA-N 0 0 164.252 2.175 10 30 AEEERN CC[C@H](C#N)Cc1ccc[nH]1 259458465 573454374 /nfs/dbraw/zinc/45/43/74/573454374.db2.gz QUCHTQODQQKSFR-QMMMGPOBSA-N 0 0 148.209 2.107 10 30 AEEERN C=CC[C@H](C)CCCS(C)(=O)=O 715808859 573454511 /nfs/dbraw/zinc/45/45/11/573454511.db2.gz YLSGRJKCEFVXBD-VIFPVBQESA-N 0 0 190.308 2.023 10 30 AEEERN C=C(C)CC[C@]1(C(C)=O)CCC[C@@H]1O 308590387 573454463 /nfs/dbraw/zinc/45/44/63/573454463.db2.gz OJVSBLHDMZMCDO-RYUDHWBXSA-N 0 0 196.290 2.463 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1ccccc1O 34519099 573454469 /nfs/dbraw/zinc/45/44/69/573454469.db2.gz KZSJYTJPFGVXFP-KCJUWKMLSA-N 0 0 178.231 2.248 10 30 AEEERN C#CCCCNc1cc2cc[nH]c2cn1 308865207 573454971 /nfs/dbraw/zinc/45/49/71/573454971.db2.gz WRHFLYIPWVMFJY-UHFFFAOYSA-N 0 0 199.257 2.388 10 30 AEEERN C=CC[C@]1(OC)CCCCC1=O 34518998 573454856 /nfs/dbraw/zinc/45/48/56/573454856.db2.gz WFIJTMYHWRIDDE-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN C=CC(=O)[C@H]1CCC=C[C@H]1C 238400777 573454910 /nfs/dbraw/zinc/45/49/10/573454910.db2.gz OXQDKLVUGGCCNH-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN N#CCOc1cccc(-n2cccc2)c1 93965310 573454978 /nfs/dbraw/zinc/45/49/78/573454978.db2.gz HVKUPEQKOWRWSI-UHFFFAOYSA-N 0 0 198.225 2.380 10 30 AEEERN C[C@@H]1C=CC[C@@H](C=O)[C@@]12CCCC2=O 238401616 573455014 /nfs/dbraw/zinc/45/50/14/573455014.db2.gz CJRGIKFVMMGLDD-JFGNBEQYSA-N 0 0 192.258 2.137 10 30 AEEERN C=C(C)CC[NH2+]CCC[C@@H](C)C(=O)[O-] 308589943 573455572 /nfs/dbraw/zinc/45/55/72/573455572.db2.gz UTTBESVPWIDIGU-SNVBAGLBSA-N 0 0 199.294 2.043 10 30 AEEERN CC[C@@]1(c2ccccc2O)C[C@H]1C=O 257814194 573455376 /nfs/dbraw/zinc/45/53/76/573455376.db2.gz CKDONCQHXVANPY-JOYOIKCWSA-N 0 0 190.242 2.259 10 30 AEEERN CO[C@@H](CC=O)c1cccc(C)c1 257817872 573455390 /nfs/dbraw/zinc/45/53/90/573455390.db2.gz DUPXXLBXGQDHLG-NSHDSACASA-N 0 0 178.231 2.272 10 30 AEEERN O=C1C=C[C@@]2(CC=CCC2)C1 224123876 573455485 /nfs/dbraw/zinc/45/54/85/573455485.db2.gz IDRQHENVNBVGPV-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN N#C[C@H](CF)Cc1ccccc1 107263422 573455490 /nfs/dbraw/zinc/45/54/90/573455490.db2.gz YUIPURRHSQAKQF-JTQLQIEISA-N 0 0 163.195 2.338 10 30 AEEERN C=C(C)CC[C@]1(C(C)=O)CCC[C@H]1O 308590385 573455553 /nfs/dbraw/zinc/45/55/53/573455553.db2.gz OJVSBLHDMZMCDO-NEPJUHHUSA-N 0 0 196.290 2.463 10 30 AEEERN C=C(C)[C@H](O)CC(=S)SC 238406334 573455556 /nfs/dbraw/zinc/45/55/56/573455556.db2.gz KSRZIWPOACBGCG-ZCFIWIBFSA-N 0 0 176.306 2.004 10 30 AEEERN COc1cnc(C)c(C(F)F)c1C#N 238401351 573455605 /nfs/dbraw/zinc/45/56/05/573455605.db2.gz YKFFNCITHBWPAE-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN N#C[C@H]1CCC[C@H](F)C1 107265846 573455655 /nfs/dbraw/zinc/45/56/55/573455655.db2.gz SDHRMYOWTIFLRA-BQBZGAKWSA-N 0 0 127.162 2.038 10 30 AEEERN Cc1ccnc(-c2c(C)noc2C#N)c1 259455477 573455717 /nfs/dbraw/zinc/45/57/17/573455717.db2.gz LFLUOSVRWZTAOP-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN O=CC/C=C\[C@H]1CCCSC1 258353807 573455728 /nfs/dbraw/zinc/45/57/28/573455728.db2.gz YSYRXISJTGQBRP-LVXRCVOFSA-N 0 0 170.277 2.275 10 30 AEEERN C=C[C@H](O)[C@@H]1O[C@@]1(C)CCC=C(C)C 308590333 573455775 /nfs/dbraw/zinc/45/57/75/573455775.db2.gz OHWDSSKFXFHCMV-SRVKXCTJSA-N 0 0 196.290 2.437 10 30 AEEERN CC1=CCCC[C@H](O)[C@@]2(C)O[C@@H]2CC1 308591067 573455821 /nfs/dbraw/zinc/45/58/21/573455821.db2.gz OUMOHHQJMBYPRX-QJPTWQEYSA-N 0 0 196.290 2.415 10 30 AEEERN CCCc1ccc([C@H](C#N)NC)cc1 259612027 573455853 /nfs/dbraw/zinc/45/58/53/573455853.db2.gz YMRSWTFUNPRJIC-LBPRGKRZSA-N 0 0 188.274 2.423 10 30 AEEERN C=C[C@@H](C=C(C)C)[C@H](C)CO 142636680 573455857 /nfs/dbraw/zinc/45/58/57/573455857.db2.gz AMJUGHWPRVIHOB-ZJUUUORDSA-N 0 0 154.253 2.383 10 30 AEEERN N#C[C@H]1CCC[C@@H](F)C1 107265838 573455887 /nfs/dbraw/zinc/45/58/87/573455887.db2.gz SDHRMYOWTIFLRA-NKWVEPMBSA-N 0 0 127.162 2.038 10 30 AEEERN CCCCCCCC(=O)[C@@H](C)O 78447265 573455922 /nfs/dbraw/zinc/45/59/22/573455922.db2.gz WDQKPFOXMDAVIN-SECBINFHSA-N 0 0 172.268 2.297 10 30 AEEERN O/N=C1/CCCCC[C@@H]1Cl 142669085 573455997 /nfs/dbraw/zinc/45/59/97/573455997.db2.gz PQHHPHJCRDVHPA-XFIBDXMASA-N 0 0 161.632 2.388 10 30 AEEERN C=C(CO)c1ccccc1Cl 258364374 573456010 /nfs/dbraw/zinc/45/60/10/573456010.db2.gz ZNPYDMHYCUEYBR-UHFFFAOYSA-N 0 0 168.623 2.346 10 30 AEEERN C[C@@H]1C=CC[C@@H](C(=O)C#N)C1(C)C 238401505 573456122 /nfs/dbraw/zinc/45/61/22/573456122.db2.gz QIMMYLRZQNHSBK-BDAKNGLRSA-N 0 0 177.247 2.317 10 30 AEEERN C=C(c1cccc(C)c1)[C@@H](C)O 238415763 573456147 /nfs/dbraw/zinc/45/61/47/573456147.db2.gz KGZXTGSAELJZCT-SNVBAGLBSA-N 0 0 162.232 2.389 10 30 AEEERN N#Cc1ccc(N2CCCC2)s1 107338046 573456167 /nfs/dbraw/zinc/45/61/67/573456167.db2.gz VJBSYODJEBSJSH-UHFFFAOYSA-N 0 0 178.260 2.220 10 30 AEEERN C[C@@H](C=O)[C@@H]1CCc2cccc(O)c21 257817683 573456232 /nfs/dbraw/zinc/45/62/32/573456232.db2.gz DWIOQXQRPQERCF-WPRPVWTQSA-N 0 0 190.242 2.257 10 30 AEEERN CC1=CCCC[C@H](O)[C@]2(C)O[C@@H]2CC1 308591070 573456358 /nfs/dbraw/zinc/45/63/58/573456358.db2.gz OUMOHHQJMBYPRX-TUAOUCFPSA-N 0 0 196.290 2.415 10 30 AEEERN N#Cc1cc(N)c2sccc2c1O 260306192 573456467 /nfs/dbraw/zinc/45/64/67/573456467.db2.gz JQUOSFFNOKZRTQ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=C(C)CC[C@@]1(C(C)=O)CCC[C@@H]1O 308590386 573456476 /nfs/dbraw/zinc/45/64/76/573456476.db2.gz OJVSBLHDMZMCDO-NWDGAFQWSA-N 0 0 196.290 2.463 10 30 AEEERN C[C@H](O)c1ccn(CC(C)(C)C#N)c1 405197240 573456505 /nfs/dbraw/zinc/45/65/05/573456505.db2.gz PAAGKLDCIPNFKZ-VIFPVBQESA-N 0 0 192.262 2.091 10 30 AEEERN CCOCc1cc(F)ccc1C#N 142654635 573456514 /nfs/dbraw/zinc/45/65/14/573456514.db2.gz RHMMWAVCMDHXAF-UHFFFAOYSA-N 0 0 179.194 2.234 10 30 AEEERN C=C(CCO)C[C@H]1CCCS1 258353745 573456538 /nfs/dbraw/zinc/45/65/38/573456538.db2.gz YRLSSZKEZZSIFB-SECBINFHSA-N 0 0 172.293 2.211 10 30 AEEERN O=CCCCCC1(F)C=CC(=O)C=C1 238664379 573456548 /nfs/dbraw/zinc/45/65/48/573456548.db2.gz DMTIBGPLZDDBNY-UHFFFAOYSA-N 0 0 196.221 2.149 10 30 AEEERN C[C@H](C=O)[C@H]1CCc2cccc(O)c21 257817680 573456569 /nfs/dbraw/zinc/45/65/69/573456569.db2.gz DWIOQXQRPQERCF-PSASIEDQSA-N 0 0 190.242 2.257 10 30 AEEERN C[C@@H]1C=COC2=C1C(=O)CCC2 238403091 573456589 /nfs/dbraw/zinc/45/65/89/573456589.db2.gz VXPHOWGWKZCJDD-SSDOTTSWSA-N 0 0 164.204 2.174 10 30 AEEERN C/C(=N\O)c1sccc1C 138307958 573458019 /nfs/dbraw/zinc/45/80/19/573458019.db2.gz CEOMWJPHMXLIGU-SOFGYWHQSA-N 0 0 155.222 2.255 10 30 AEEERN C=C(CCO)[C@H]1CCCCS1 258359222 573458055 /nfs/dbraw/zinc/45/80/55/573458055.db2.gz ZBZRYKPXPZLJAF-SECBINFHSA-N 0 0 172.293 2.211 10 30 AEEERN COc1cnc(CC#N)c(C(F)F)c1 238403722 573458066 /nfs/dbraw/zinc/45/80/66/573458066.db2.gz UUYCUWBVADWAKV-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C[C@@H]1C=CC[C@H](C(=O)C#N)C1(C)C 238402192 573458107 /nfs/dbraw/zinc/45/81/07/573458107.db2.gz QIMMYLRZQNHSBK-RKDXNWHRSA-N 0 0 177.247 2.317 10 30 AEEERN N#CCc1cnn(C2CCCC2)c1 257813956 573458108 /nfs/dbraw/zinc/45/81/08/573458108.db2.gz CFXJIMGENYPJIZ-UHFFFAOYSA-N 0 0 175.235 2.064 10 30 AEEERN C=C(F)[C@H](O)c1ccc(OC)cc1 34596746 573458132 /nfs/dbraw/zinc/45/81/32/573458132.db2.gz BVWHSTYKISZGKJ-JTQLQIEISA-N 0 0 182.194 2.212 10 30 AEEERN N#C[C@@H](CF)Cc1ccccc1 107263425 573459192 /nfs/dbraw/zinc/45/91/92/573459192.db2.gz YUIPURRHSQAKQF-SNVBAGLBSA-N 0 0 163.195 2.338 10 30 AEEERN COc1c(C)cc(C)cc1CCC=O 258033166 573458984 /nfs/dbraw/zinc/45/89/84/573458984.db2.gz JBEKFENGUCLRRE-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN C=CC[C@@H]1C=CC[C@@H](C[C@@H](C)CO)O1 308592163 573459037 /nfs/dbraw/zinc/45/90/37/573459037.db2.gz PLGRFZHKTVOIHM-UTUOFQBUSA-N 0 0 196.290 2.295 10 30 AEEERN C=C[C@@](C)(O)[C@@H](C)Nc1ccccc1 238403014 573459269 /nfs/dbraw/zinc/45/92/69/573459269.db2.gz BSRODOHDMQMMQM-ZYHUDNBSSA-N 0 0 191.274 2.424 10 30 AEEERN COc1ccccc1[C@@](C)(F)C=O 257814591 573462937 /nfs/dbraw/zinc/46/29/37/573462937.db2.gz CNYCNZHFZRHEGO-JTQLQIEISA-N 0 0 182.194 2.079 10 30 AEEERN Cc1c(C=O)c2cccc(C#N)c2n1C 257814861 573461526 /nfs/dbraw/zinc/46/15/26/573461526.db2.gz BHXHBLPTNRGCJR-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN C=CC[C@H](O)/C=C\[C@H](C)[C@H](O)C(C)C 308591794 573461628 /nfs/dbraw/zinc/46/16/28/573461628.db2.gz PHTNEJKAPILAAB-WEJZEEGASA-N 0 0 198.306 2.133 10 30 AEEERN N#CCc1c(Cl)ccc2c1CCO2 258033214 573461696 /nfs/dbraw/zinc/46/16/96/573461696.db2.gz JBWHWDOKIYZBMI-UHFFFAOYSA-N 0 0 193.633 2.341 10 30 AEEERN C=C1C=CC2(CCCCC2)[C@@H]1O 197342901 573461712 /nfs/dbraw/zinc/46/17/12/573461712.db2.gz OUGWAVKOIALIHF-SNVBAGLBSA-N 0 0 164.248 2.424 10 30 AEEERN C[C@@H]1CNc2cc(C#N)ccc21 238406218 573461792 /nfs/dbraw/zinc/46/17/92/573461792.db2.gz WGTYSTTZYVIXHR-SSDOTTSWSA-N 0 0 158.204 2.087 10 30 AEEERN C=CC[C@@H]1C=CC[C@H](C[C@H](C)CO)O1 308591906 573461939 /nfs/dbraw/zinc/46/19/39/573461939.db2.gz PLGRFZHKTVOIHM-QJPTWQEYSA-N 0 0 196.290 2.295 10 30 AEEERN C=CC[C@@H]1C=CC[C@H](C[C@@H](C)CO)O1 308591904 573462176 /nfs/dbraw/zinc/46/21/76/573462176.db2.gz PLGRFZHKTVOIHM-IJLUTSLNSA-N 0 0 196.290 2.295 10 30 AEEERN OCCCC[C@H]1O[C@H]1c1ccccc1 238665837 573462197 /nfs/dbraw/zinc/46/21/97/573462197.db2.gz RRRJZHAXERGADQ-NEPJUHHUSA-N 0 0 192.258 2.289 10 30 AEEERN COc1ccccc1[C@](C)(F)C=O 257814592 573462199 /nfs/dbraw/zinc/46/21/99/573462199.db2.gz CNYCNZHFZRHEGO-SNVBAGLBSA-N 0 0 182.194 2.079 10 30 AEEERN CCC(=O)N(O)c1ccccc1C 34743215 573462246 /nfs/dbraw/zinc/46/22/46/573462246.db2.gz AVZUAGRZTBEJGX-UHFFFAOYSA-N 0 0 179.219 2.127 10 30 AEEERN C=CC[C@H](O)/C=C/[C@H](C)[C@@H](O)C(C)C 308591792 573462247 /nfs/dbraw/zinc/46/22/47/573462247.db2.gz PHTNEJKAPILAAB-MLQQESJHSA-N 0 0 198.306 2.133 10 30 AEEERN Cc1c(C#N)c[nH]c2cc(=O)ccc1-2 257814548 573462297 /nfs/dbraw/zinc/46/22/97/573462297.db2.gz CLJRAVYJHNIPSD-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C=CCC1C=CNC1=S 211795443 573462315 /nfs/dbraw/zinc/46/23/15/573462315.db2.gz RBFUMKQKMGFOBO-UHFFFAOYSA-N 0 0 139.223 2.032 10 30 AEEERN C=CCSc1cc[nH]c1 211795129 573462354 /nfs/dbraw/zinc/46/23/54/573462354.db2.gz OPQGMCOUNIUGIV-UHFFFAOYSA-N 0 0 139.223 2.293 10 30 AEEERN COc1c(CC#N)ccc(Cl)c1O 258033143 573462539 /nfs/dbraw/zinc/46/25/39/573462539.db2.gz JAZYGASSQUHIOY-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN C[NH2+][C@@H](CCC#N)c1ccc(F)cc1 259457849 573462558 /nfs/dbraw/zinc/46/25/58/573462558.db2.gz PKLPANNJYIEUMZ-NSHDSACASA-N 0 0 192.237 2.390 10 30 AEEERN CC(C)(C)c1ccoc1C#N 259458127 573462610 /nfs/dbraw/zinc/46/26/10/573462610.db2.gz OPTDPYUJYXIWCU-UHFFFAOYSA-N 0 0 149.193 2.449 10 30 AEEERN CCC[C@H](CC=O)ON=C(C)C 238223894 573462734 /nfs/dbraw/zinc/46/27/34/573462734.db2.gz VREMOZGPCUDTMY-SECBINFHSA-N 0 0 171.240 2.157 10 30 AEEERN C[C@@](F)(C#N)c1cccc([N+](=O)[O-])c1 107271804 573462842 /nfs/dbraw/zinc/46/28/42/573462842.db2.gz QJRAQFFNIICXLV-SECBINFHSA-N 0 0 194.165 2.303 10 30 AEEERN COc1ccc2[nH]c([C@@H]3CO3)cc2c1 238403936 573463842 /nfs/dbraw/zinc/46/38/42/573463842.db2.gz OMDKVOLCWBTAGT-NSHDSACASA-N 0 0 189.214 2.248 10 30 AEEERN N#Cc1nsc2c(Cl)ccnc12 259458264 573463166 /nfs/dbraw/zinc/46/31/66/573463166.db2.gz OVVZTSTUEUBYNF-UHFFFAOYSA-N 0 0 195.634 2.216 10 30 AEEERN COc1cccc([C@@H](F)CC=O)c1 257814971 573463173 /nfs/dbraw/zinc/46/31/73/573463173.db2.gz CQKDTQMBTSZKDX-JTQLQIEISA-N 0 0 182.194 2.295 10 30 AEEERN N#Cc1ccc2c(c1O)CCCC2 258032919 573463287 /nfs/dbraw/zinc/46/32/87/573463287.db2.gz PHKUYTUWEYHMLO-UHFFFAOYSA-N 0 0 173.215 2.143 10 30 AEEERN N#CCCc1ccc2cccc(O)c2n1 259611758 573463288 /nfs/dbraw/zinc/46/32/88/573463288.db2.gz MXFJTWWXNBXLFF-UHFFFAOYSA-N 0 0 198.225 2.397 10 30 AEEERN COc1ccc2[nH]c([C@H]3CO3)cc2c1 238403967 573463415 /nfs/dbraw/zinc/46/34/15/573463415.db2.gz OMDKVOLCWBTAGT-LLVKDONJSA-N 0 0 189.214 2.248 10 30 AEEERN C=C1C=CC2(CCCCC2)[C@H]1O 197342910 573463485 /nfs/dbraw/zinc/46/34/85/573463485.db2.gz OUGWAVKOIALIHF-JTQLQIEISA-N 0 0 164.248 2.424 10 30 AEEERN COc1cnc(CC#N)cc1C(F)F 238404019 573463549 /nfs/dbraw/zinc/46/35/49/573463549.db2.gz VPSPREHGCGFSOS-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN COC1=C(C)C(=O)c2ccccc21 107270678 573463587 /nfs/dbraw/zinc/46/35/87/573463587.db2.gz IJEOYANBTCCPRB-UHFFFAOYSA-N 0 0 174.199 2.260 10 30 AEEERN CC#C[C@H](O)/C(C)=C/c1ccccc1 142519445 573463663 /nfs/dbraw/zinc/46/36/63/573463663.db2.gz GHVYNNQMVJWJIQ-NHAQELONSA-N 0 0 186.254 2.474 10 30 AEEERN C=C1[C@H](CO)CCCC1(C)C 34514271 573463699 /nfs/dbraw/zinc/46/36/99/573463699.db2.gz ZFWWSONUQRIVKW-VIFPVBQESA-N 0 0 154.253 2.361 10 30 AEEERN C[C@H]1C=C[C@@H](C)[C@@H](C)[C@@H]1C=O 238404492 573463738 /nfs/dbraw/zinc/46/37/38/573463738.db2.gz ITRNPAHSAMWGNA-UTINFBMNSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@@H](C)C(C)(C)C=O 715812825 573463768 /nfs/dbraw/zinc/46/37/68/573463768.db2.gz MDCPRLUUWGTTTD-MRVPVSSYSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@@H](CC=O)c1cc(O)ccc1F 258036271 573463868 /nfs/dbraw/zinc/46/38/68/573463868.db2.gz JNTDQBYXMMAQKK-ZETCQYMHSA-N 0 0 182.194 2.224 10 30 AEEERN Cc1ccc(C[C@H](C)C=O)cc1C#N 238404379 573463872 /nfs/dbraw/zinc/46/38/72/573463872.db2.gz FKCMLXVXUBECBW-VIFPVBQESA-N 0 0 187.242 2.244 10 30 AEEERN CSc1cc(C#N)cc(C=O)c1 238405420 573463988 /nfs/dbraw/zinc/46/39/88/573463988.db2.gz WIFXONFFJBJGMO-UHFFFAOYSA-N 0 0 177.228 2.093 10 30 AEEERN C[C@](F)(C#N)c1cccc([N+](=O)[O-])c1 107271808 573464175 /nfs/dbraw/zinc/46/41/75/573464175.db2.gz QJRAQFFNIICXLV-VIFPVBQESA-N 0 0 194.165 2.303 10 30 AEEERN Cc1ccc(C[C@H](C)C=O)cc1O 238404499 573464232 /nfs/dbraw/zinc/46/42/32/573464232.db2.gz JVGJLSKSXQXOOW-QMMMGPOBSA-N 0 0 178.231 2.078 10 30 AEEERN CC1=C[C@H](CC=O)CCC1 142682162 573464472 /nfs/dbraw/zinc/46/44/72/573464472.db2.gz LNXNQDGPWRPAQD-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H]1Cc2cc(F)cc(C#N)c2O1 238404962 573464898 /nfs/dbraw/zinc/46/48/98/573464898.db2.gz HFNVTXVKKYNXLK-ZCFIWIBFSA-N 0 0 177.178 2.021 10 30 AEEERN C=CC[C@@H](C)c1ncnn1CCC 715811029 573464614 /nfs/dbraw/zinc/46/46/14/573464614.db2.gz ARHAULNJKDLSMQ-SECBINFHSA-N 0 0 179.267 2.368 10 30 AEEERN CC1=CO[C@H](C(C)C)[C@@H](C)C1=O 211797858 573464632 /nfs/dbraw/zinc/46/46/32/573464632.db2.gz GWJORPKOMIUMKU-WCBMZHEXSA-N 0 0 168.236 2.150 10 30 AEEERN COc1cc2c(cc1C)C(=O)C=C2 238404005 573464652 /nfs/dbraw/zinc/46/46/52/573464652.db2.gz VGAGQLCLYRUFGP-UHFFFAOYSA-N 0 0 174.199 2.213 10 30 AEEERN C#CCON[C@@H](C)c1ccccc1F 308592486 573464684 /nfs/dbraw/zinc/46/46/84/573464684.db2.gz WIJSOVAEWYEBOG-VIFPVBQESA-N 0 0 193.221 2.041 10 30 AEEERN C=CC[C@H](C)C(C)(C)C=O 715812829 573464705 /nfs/dbraw/zinc/46/47/05/573464705.db2.gz MDCPRLUUWGTTTD-QMMMGPOBSA-N 0 0 140.226 2.424 10 30 AEEERN COc1cc2ccoc2cc1C#N 238405261 573464906 /nfs/dbraw/zinc/46/49/06/573464906.db2.gz NQJRBMKUTIIHFM-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN Cc1c(O)ccc(CCC=O)c1C 258037461 573464910 /nfs/dbraw/zinc/46/49/10/573464910.db2.gz PPXTZJAABKRFKZ-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN Cc1cc(C#N)ccc1C[C@H](C)C=O 238403955 573464843 /nfs/dbraw/zinc/46/48/43/573464843.db2.gz OZOCMMOYIPEWQQ-VIFPVBQESA-N 0 0 187.242 2.244 10 30 AEEERN CCc1ccc(OC)c([C@@H](F)C=O)c1 257820651 573465288 /nfs/dbraw/zinc/46/52/88/573465288.db2.gz FTRUTTPQNLRITJ-JTQLQIEISA-N 0 0 196.221 2.467 10 30 AEEERN C[C@H](C=O)Cc1ccc(C#N)cc1F 238403979 573465475 /nfs/dbraw/zinc/46/54/75/573465475.db2.gz RKJVBOIAHLYGLC-QMMMGPOBSA-N 0 0 191.205 2.075 10 30 AEEERN O=C[C@@H]1CCc2cccc(Cl)c2O1 259461821 573465523 /nfs/dbraw/zinc/46/55/23/573465523.db2.gz GOJKAXRMNAQZRY-QMMMGPOBSA-N 0 0 196.633 2.233 10 30 AEEERN CC#C[C@@H](O)/C(C)=C/c1ccccc1 142519053 573465533 /nfs/dbraw/zinc/46/55/33/573465533.db2.gz GHVYNNQMVJWJIQ-OCHBPSSRSA-N 0 0 186.254 2.474 10 30 AEEERN C=C(CCO)Cc1ccc(F)cc1 258037322 573465702 /nfs/dbraw/zinc/46/57/02/573465702.db2.gz CHOZXTNPZNCPSF-UHFFFAOYSA-N 0 0 180.222 2.307 10 30 AEEERN CC1=CO[C@@H](C(C)C)[C@H](C)C1=O 211797790 573465826 /nfs/dbraw/zinc/46/58/26/573465826.db2.gz GWJORPKOMIUMKU-SCZZXKLOSA-N 0 0 168.236 2.150 10 30 AEEERN N#C[C@@H](F)c1ccccc1F 107275619 573465856 /nfs/dbraw/zinc/46/58/56/573465856.db2.gz YDEMRLHOPYXTOT-MRVPVSSYSA-N 0 0 153.131 2.360 10 30 AEEERN COc1cc(CC#N)c(C)c(C)c1O 258035992 573465873 /nfs/dbraw/zinc/46/58/73/573465873.db2.gz JHXQAXGYSRMVHD-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN C=CC[C@H](C)c1ncnn1CCC 715811040 573466023 /nfs/dbraw/zinc/46/60/23/573466023.db2.gz ARHAULNJKDLSMQ-VIFPVBQESA-N 0 0 179.267 2.368 10 30 AEEERN CCN(C)N=CCC(C)(C)SC 393499788 573466051 /nfs/dbraw/zinc/46/60/51/573466051.db2.gz ZCPYPHPVIVTPNH-UHFFFAOYSA-N 0 0 188.340 2.456 10 30 AEEERN C[C@@H]1C[C@@H](C#N)Nc2ccccc2N1 1570175 573466052 /nfs/dbraw/zinc/46/60/52/573466052.db2.gz RNTHZAGFJUROMP-BDAKNGLRSA-N 0 0 187.246 2.195 10 30 AEEERN C[C@H]1C[C@H](C#N)Nc2ccccc2N1 1570176 573466068 /nfs/dbraw/zinc/46/60/68/573466068.db2.gz RNTHZAGFJUROMP-DTWKUNHWSA-N 0 0 187.246 2.195 10 30 AEEERN N#CC[C@H](F)Cc1ccccc1 107274857 573466963 /nfs/dbraw/zinc/46/69/63/573466963.db2.gz UYLPWEIXQZSLJK-JTQLQIEISA-N 0 0 163.195 2.481 10 30 AEEERN C=C1CC2=C(CCCC2)C1=O 197342922 573466964 /nfs/dbraw/zinc/46/69/64/573466964.db2.gz BAZIVQNYEFFGHU-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN CC(C)[C@@](C)(F)CC#N 107273540 573466966 /nfs/dbraw/zinc/46/69/66/573466966.db2.gz ZSWCPAFJUUZJRO-ZETCQYMHSA-N 0 0 129.178 2.284 10 30 AEEERN Cn1c(CS)cc2ccc(O)cc21 258034918 573466333 /nfs/dbraw/zinc/46/63/33/573466333.db2.gz NDCFALHNCMCCPY-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN CC[C@@H](C#N)C(C)(C)F 257815932 573466485 /nfs/dbraw/zinc/46/64/85/573466485.db2.gz BPDWJIWAGXVTFI-LURJTMIESA-N 0 0 129.178 2.284 10 30 AEEERN N#C[C@@H](F)Cc1ccccc1 107274590 573466633 /nfs/dbraw/zinc/46/66/33/573466633.db2.gz MJGRVBQWTZOOPF-VIFPVBQESA-N 0 0 149.168 2.091 10 30 AEEERN C[C@@]1(F)CCC[C@H](C=O)C1 211799571 573466636 /nfs/dbraw/zinc/46/66/36/573466636.db2.gz NFSXVIAIIHNMKB-JGVFFNPUSA-N 0 0 144.189 2.104 10 30 AEEERN CCCCC(=O)[C@@H]1O[C@@H]1C(C)C 238227590 573466687 /nfs/dbraw/zinc/46/66/87/573466687.db2.gz RLAXSSSOMMQSSD-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN O=CC/C=C\[C@H]1CCCCS1 258357495 573467018 /nfs/dbraw/zinc/46/70/18/573467018.db2.gz ZAZSDUPLYOXDKN-RKANRPJGSA-N 0 0 170.277 2.417 10 30 AEEERN Cc1ccc2c(c1CCC=O)CCO2 258036025 573466768 /nfs/dbraw/zinc/46/67/68/573466768.db2.gz JIWFTALAUZPCDI-UHFFFAOYSA-N 0 0 190.242 2.061 10 30 AEEERN CC(=O)C(=Cc1cccs1)C(C)=O 138865739 573466769 /nfs/dbraw/zinc/46/67/69/573466769.db2.gz UTMLRLRTBBLOAN-UHFFFAOYSA-N 0 0 194.255 2.310 10 30 AEEERN CCc1ccc(OC)c([C@H](F)C=O)c1 257820652 573466836 /nfs/dbraw/zinc/46/68/36/573466836.db2.gz FTRUTTPQNLRITJ-SNVBAGLBSA-N 0 0 196.221 2.467 10 30 AEEERN N#C[C@H](F)c1ccccc1F 107275622 573466944 /nfs/dbraw/zinc/46/69/44/573466944.db2.gz YDEMRLHOPYXTOT-QMMMGPOBSA-N 0 0 153.131 2.360 10 30 AEEERN COc1cc(C#N)cc(F)c1Cl 258036034 573466936 /nfs/dbraw/zinc/46/69/36/573466936.db2.gz JIZUFCVUMZEOJN-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN N#Cc1cc(O)c(N)c2ccsc12 306639836 573470955 /nfs/dbraw/zinc/47/09/55/573470955.db2.gz INXAWECGKPRGDY-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC[C@H](C1CC1)[N@H+](C)C[C@@H](C)C#N 308391218 573470962 /nfs/dbraw/zinc/47/09/62/573470962.db2.gz ZRNRUERDIVCKGX-GXSJLCMTSA-N 0 0 180.295 2.266 10 30 AEEERN C=C1C=CC(=O)C[C@H](C)C1 238405664 573470986 /nfs/dbraw/zinc/47/09/86/573470986.db2.gz ACLJJPPZSYPMSP-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN CC(C)(C)CCCOC[C@](C)(N)C#N 308584751 573471058 /nfs/dbraw/zinc/47/10/58/573471058.db2.gz RIFDHDMAIUKQEA-LLVKDONJSA-N 0 0 198.310 2.070 10 30 AEEERN CCC[C@H]([C@@H](C)C=O)[C@H](C=O)CC 141738562 573471079 /nfs/dbraw/zinc/47/10/79/573471079.db2.gz ZYQRZHVBDTULKO-GARJFASQSA-N 0 0 184.279 2.463 10 30 AEEERN CC(C)(C)c1[nH]ccc1C#N 259462696 573471188 /nfs/dbraw/zinc/47/11/88/573471188.db2.gz AGGHBECTBCLQKX-UHFFFAOYSA-N 0 0 148.209 2.184 10 30 AEEERN N#Cc1cc2scc(N)c2cc1O 306631574 573471213 /nfs/dbraw/zinc/47/12/13/573471213.db2.gz DKHLWFPSAIODOG-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC(C)c1cncc(CC#N)c1 259462608 573471397 /nfs/dbraw/zinc/47/13/97/573471397.db2.gz AFMKJFPWNATPKX-UHFFFAOYSA-N 0 0 160.220 2.271 10 30 AEEERN Cc1c(C#N)sc2ncccc12 259464996 573471415 /nfs/dbraw/zinc/47/14/15/573471415.db2.gz POHJYULTTPJWLL-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN CC[C@H](C1CC1)[N@H+](C)C[C@H](C)C#N 308391221 573471423 /nfs/dbraw/zinc/47/14/23/573471423.db2.gz ZRNRUERDIVCKGX-MWLCHTKSSA-N 0 0 180.295 2.266 10 30 AEEERN Cc1nc(N=[N+]=[N-])ccc1[N+](=O)[O-] 124431816 573471473 /nfs/dbraw/zinc/47/14/73/573471473.db2.gz XOFIBLIJQSQADJ-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN CC[C@@H](CC#N)[C@H](C)F 257820710 573471507 /nfs/dbraw/zinc/47/15/07/573471507.db2.gz DMUFVEYPBROUAN-BQBZGAKWSA-N 0 0 129.178 2.284 10 30 AEEERN Cc1cccc(C)c1C#C[C@@H](C)O 238413761 573477665 /nfs/dbraw/zinc/47/76/65/573477665.db2.gz JGSTYFSQDXUIQC-LLVKDONJSA-N 0 0 174.243 2.036 10 30 AEEERN C[C@H]1CCC[C@@]1(C#N)NCC1CC1 83393361 573477313 /nfs/dbraw/zinc/47/73/13/573477313.db2.gz VPTQIPOLAKSHKU-ONGXEEELSA-N 0 0 178.279 2.068 10 30 AEEERN CC(C)CN[C@]1(C#N)CCC[C@@H]1C 83393135 573475945 /nfs/dbraw/zinc/47/59/45/573475945.db2.gz VBBVIXOZMLTRAB-QWRGUYRKSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)N[C@@]1(C#N)CCC[C@H]1C 83393009 573476100 /nfs/dbraw/zinc/47/61/00/573476100.db2.gz CBXRWISSSOPNLF-NXEZZACHSA-N 0 0 166.268 2.067 10 30 AEEERN CCN[C@H](C#N)C1(CC)CCC1 686131303 573476173 /nfs/dbraw/zinc/47/61/73/573476173.db2.gz FJOGFBQXXOVVCQ-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)N[C@@]1(C#N)CCC[C@@H]1C 83393011 573476305 /nfs/dbraw/zinc/47/63/05/573476305.db2.gz CBXRWISSSOPNLF-VHSXEESVSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@H](C)NCc1coc(C2CC2)n1 308585255 573476332 /nfs/dbraw/zinc/47/63/32/573476332.db2.gz IDHQPPNKIMJWJV-QMMMGPOBSA-N 0 0 192.262 2.216 10 30 AEEERN CCOCC1=CC(=O)CC(C)(C)C1 86528368 573476339 /nfs/dbraw/zinc/47/63/39/573476339.db2.gz YLTJJTNKRMGURZ-UHFFFAOYSA-N 0 0 182.263 2.338 10 30 AEEERN CC(C)CN[C@@]1(C#N)CCC[C@H]1C 83393137 573477392 /nfs/dbraw/zinc/47/73/92/573477392.db2.gz VBBVIXOZMLTRAB-GHMZBOCLSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H]1CCC[C@]1(C#N)NCC1CC1 83393363 573476673 /nfs/dbraw/zinc/47/66/73/573476673.db2.gz VPTQIPOLAKSHKU-MWLCHTKSSA-N 0 0 178.279 2.068 10 30 AEEERN C=CCOC(=O)N(C)[C@H](C)C1CC1 388689914 573476684 /nfs/dbraw/zinc/47/66/84/573476684.db2.gz KMKHYWYZMZAGHW-MRVPVSSYSA-N 0 0 183.251 2.039 10 30 AEEERN C[C@@H]1CC[C@]2(C)CCC(=O)C=C2[C@@H]1O 238413620 573476723 /nfs/dbraw/zinc/47/67/23/573476723.db2.gz XRGCRHWBTNPXFS-GGZOMVNGSA-N 0 0 194.274 2.073 10 30 AEEERN CC(C)OCC1=CC(=O)CCC1 86528364 573476698 /nfs/dbraw/zinc/47/66/98/573476698.db2.gz BQTJJLUZWXAWQK-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@@H](C#N)c1nc2c(F)cccc2[nH]1 107288372 573476865 /nfs/dbraw/zinc/47/68/65/573476865.db2.gz IUABOVGTAATVHL-LURJTMIESA-N 0 0 189.193 2.329 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc2ncoc2c1 259105923 573476918 /nfs/dbraw/zinc/47/69/18/573476918.db2.gz COAGIQNNXZEJLY-LDWIPMOCSA-N 0 0 175.187 2.288 10 30 AEEERN Cc1cc(C)c(NC(=O)C#N)cc1C 258665555 573477223 /nfs/dbraw/zinc/47/72/23/573477223.db2.gz IWOZLWBLROOTNA-UHFFFAOYSA-N 0 0 188.230 2.074 10 30 AEEERN CCN[C@@H](C#N)C1(CC)CCC1 686131304 573477406 /nfs/dbraw/zinc/47/74/06/573477406.db2.gz FJOGFBQXXOVVCQ-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)N[C@]1(C#N)CCC[C@@H]1C 83393007 573479988 /nfs/dbraw/zinc/47/99/88/573479988.db2.gz CBXRWISSSOPNLF-UWVGGRQHSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@@H](C)NCc1coc(C2CC2)n1 308585253 573477476 /nfs/dbraw/zinc/47/74/76/573477476.db2.gz IDHQPPNKIMJWJV-MRVPVSSYSA-N 0 0 192.262 2.216 10 30 AEEERN C=C/C=C/[C@H](C)CCC=O 238414454 573477525 /nfs/dbraw/zinc/47/75/25/573477525.db2.gz WSTUQHAAFXIDEH-DNQSNQRASA-N 0 0 138.210 2.344 10 30 AEEERN CC1(C)[C@H]2CC=C(COCC=O)[C@@H]1C2 238238935 573477530 /nfs/dbraw/zinc/47/75/30/573477530.db2.gz FVLIGLBOZPSTEA-QWRGUYRKSA-N 0 0 194.274 2.194 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc2ncoc2c1 259105934 573477548 /nfs/dbraw/zinc/47/75/48/573477548.db2.gz COAGIQNNXZEJLY-WKEGUHRASA-N 0 0 175.187 2.288 10 30 AEEERN O=CCCc1ccc2c(c1)OCCC2 258045193 573477563 /nfs/dbraw/zinc/47/75/63/573477563.db2.gz KCXVIMHZAUQDIG-UHFFFAOYSA-N 0 0 190.242 2.143 10 30 AEEERN CC(C)Oc1cncc(CCC=O)c1 124457853 573477906 /nfs/dbraw/zinc/47/79/06/573477906.db2.gz RHEKNAOTSWKWPI-UHFFFAOYSA-N 0 0 193.246 2.000 10 30 AEEERN CCC[C@H]1O[C@H]1C(=O)CC(C)C 238237771 573477913 /nfs/dbraw/zinc/47/79/13/573477913.db2.gz VJGHGELHJYTNKA-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN C=C1C[C@]12CC[C@@H](C)CC2=O 238413947 573477988 /nfs/dbraw/zinc/47/79/88/573477988.db2.gz GORJDENBXNDHPM-GMSGAONNSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](O)C#Cc1ccc2occc2c1 238414468 573478041 /nfs/dbraw/zinc/47/80/41/573478041.db2.gz FWHVOWJQUCULGR-SECBINFHSA-N 0 0 186.210 2.165 10 30 AEEERN CSC1=C(C)CCCC1=O 238413362 573478045 /nfs/dbraw/zinc/47/80/45/573478045.db2.gz JDXBCLOHKGLXEW-UHFFFAOYSA-N 0 0 156.250 2.376 10 30 AEEERN C#CCC[C@H](C)CCC=O 238414113 573478103 /nfs/dbraw/zinc/47/81/03/573478103.db2.gz JJMIVUBILCNZIW-VIFPVBQESA-N 0 0 138.210 2.015 10 30 AEEERN C[C@H](C#N)c1nc2ccccc2o1 107291961 573478139 /nfs/dbraw/zinc/47/81/39/573478139.db2.gz MDRLVZSRYQCOPC-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN CC(C)CN[C@@]1(C#N)CCC[C@@H]1C 83393139 573478166 /nfs/dbraw/zinc/47/81/66/573478166.db2.gz VBBVIXOZMLTRAB-WDEREUQCSA-N 0 0 180.295 2.314 10 30 AEEERN Cc1cc(C(C)(C)O)cc(C#N)c1C 258045208 573478208 /nfs/dbraw/zinc/47/82/08/573478208.db2.gz KDNRCHSBKAIYMR-UHFFFAOYSA-N 0 0 189.258 2.403 10 30 AEEERN Cc1cnccc1C[C@@H](C)C#N 238413695 573478235 /nfs/dbraw/zinc/47/82/35/573478235.db2.gz UVLYBECBDYBJRC-MRVPVSSYSA-N 0 0 160.220 2.092 10 30 AEEERN CCCCC[C@@H](O)C1=CCCC1=O 144919200 573478238 /nfs/dbraw/zinc/47/82/38/573478238.db2.gz CHXNLADPAZPYLL-SNVBAGLBSA-N 0 0 182.263 2.217 10 30 AEEERN C=C(C)[C@@H]1C(=O)C[C@@H](C)[C@@H]1C 238413648 573478249 /nfs/dbraw/zinc/47/82/49/573478249.db2.gz CPNFMOZXEONTIK-WEDXCCLWSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)CN[C@]1(C#N)CCC[C@H]1C 83393132 573479074 /nfs/dbraw/zinc/47/90/74/573479074.db2.gz VBBVIXOZMLTRAB-MNOVXSKESA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1CCc2sc(N)c(C#N)c21 83389709 573478419 /nfs/dbraw/zinc/47/84/19/573478419.db2.gz JKTBRTIXYDRUBA-YFKPBYRVSA-N 0 0 178.260 2.252 10 30 AEEERN N[C@@H](S)c1ccc(Cl)s1 259464895 573478447 /nfs/dbraw/zinc/47/84/47/573478447.db2.gz OUIMBEKAZPIXIH-YFKPBYRVSA-N 0 0 179.697 2.289 10 30 AEEERN Cc1ccc(C)c(C#C[C@@H](C)O)c1C 238413739 573478515 /nfs/dbraw/zinc/47/85/15/573478515.db2.gz LRWZOVJSOAYUGO-LLVKDONJSA-N 0 0 188.270 2.344 10 30 AEEERN N#Cc1coc2c1CCCCC2 259468248 573478530 /nfs/dbraw/zinc/47/85/30/573478530.db2.gz BAFLJWPBSKVXPO-UHFFFAOYSA-N 0 0 161.204 2.420 10 30 AEEERN C[C@@H]1CCc2sc(N)c(C#N)c21 83389708 573478532 /nfs/dbraw/zinc/47/85/32/573478532.db2.gz JKTBRTIXYDRUBA-RXMQYKEDSA-N 0 0 178.260 2.252 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc2ncoc2c1 259105930 573478577 /nfs/dbraw/zinc/47/85/77/573478577.db2.gz COAGIQNNXZEJLY-QUBYGPBYSA-N 0 0 175.187 2.288 10 30 AEEERN C=CCc1ccccc1C#C[C@@H](C)O 238414196 573478599 /nfs/dbraw/zinc/47/85/99/573478599.db2.gz BFVOEFFVFRGMFW-LLVKDONJSA-N 0 0 186.254 2.147 10 30 AEEERN CO[C@]1(C)CC[C@H](C(C)(C)C=O)C1 238413983 573478618 /nfs/dbraw/zinc/47/86/18/573478618.db2.gz VHHJDSUIDWBDSJ-GXSJLCMTSA-N 0 0 184.279 2.417 10 30 AEEERN Cc1ccc2oc(CC#N)nc2c1 107291866 573479021 /nfs/dbraw/zinc/47/90/21/573479021.db2.gz WYBQULDLSLGPQY-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN C[C@H]1CCC[C@]1(C#N)NCC1CC1 83393367 573478708 /nfs/dbraw/zinc/47/87/08/573478708.db2.gz VPTQIPOLAKSHKU-GXSJLCMTSA-N 0 0 178.279 2.068 10 30 AEEERN C[C@H](C#N)[C@H](O)/C=C/c1ccccc1 238413408 573478837 /nfs/dbraw/zinc/47/88/37/573478837.db2.gz XDMGPOSMCTYESI-IOJZVYEBSA-N 0 0 187.242 2.220 10 30 AEEERN C[C@H](C#N)c1nc2c(F)cccc2[nH]1 107288374 573478867 /nfs/dbraw/zinc/47/88/67/573478867.db2.gz IUABOVGTAATVHL-ZCFIWIBFSA-N 0 0 189.193 2.329 10 30 AEEERN C[C@@H](C#N)c1nc2ccccc2n1C 107288954 573480511 /nfs/dbraw/zinc/48/05/11/573480511.db2.gz LCIIHFUDURZWET-QMMMGPOBSA-N 0 0 185.230 2.200 10 30 AEEERN CSC1=CCC[C@H](C)C1=O 238413668 573480526 /nfs/dbraw/zinc/48/05/26/573480526.db2.gz SJYOGPILUWCBGN-LURJTMIESA-N 0 0 156.250 2.232 10 30 AEEERN C[C@@H](C#N)OCCOC1CCCCC1 308594864 573480020 /nfs/dbraw/zinc/48/00/20/573480020.db2.gz REARSRNVGUQROO-JTQLQIEISA-N 0 0 197.278 2.264 10 30 AEEERN Cc1cc([C@H](C)C#N)c(C)[nH]1 238413690 573480075 /nfs/dbraw/zinc/48/00/75/573480075.db2.gz KUHWFYDUTCEHJF-ZCFIWIBFSA-N 0 0 148.209 2.259 10 30 AEEERN C=C[C@H](CCCO)[C@H](C=C)CCCO 308595714 573480507 /nfs/dbraw/zinc/48/05/07/573480507.db2.gz RSTRBKHKSYBUFC-VXGBXAGGSA-N 0 0 198.306 2.136 10 30 AEEERN CCCC(=O)[C@@H]1O[C@H]1C(C)(C)C 238242333 573480135 /nfs/dbraw/zinc/48/01/35/573480135.db2.gz IULUTJCCRMCOFC-DTWKUNHWSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@H]1CCC[C@H]2C(=O)C=C[C@H]12 238413689 573480153 /nfs/dbraw/zinc/48/01/53/573480153.db2.gz KIRXTIGCWZLUJX-IWSPIJDZSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@@H]1CC(=O)[C@@H](C#N)C(C)(C)C1 238413613 573480158 /nfs/dbraw/zinc/48/01/58/573480158.db2.gz GIHRMEOBGPLQMK-HTQZYQBOSA-N 0 0 165.236 2.151 10 30 AEEERN Cn1ccc(-c2cc(C#N)sn2)c1 259467320 573480161 /nfs/dbraw/zinc/48/01/61/573480161.db2.gz PUHCDQLSFAKVRZ-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN C[C@H]1O[C@H]1c1ccc2ncoc2c1 259105927 573480240 /nfs/dbraw/zinc/48/02/40/573480240.db2.gz COAGIQNNXZEJLY-LHLIQPBNSA-N 0 0 175.187 2.288 10 30 AEEERN C[C@H](CC=O)[C@@H](O)C1CCCCC1 238469599 573480298 /nfs/dbraw/zinc/48/02/98/573480298.db2.gz GCTFDQCIOIQRFJ-MWLCHTKSSA-N 0 0 184.279 2.153 10 30 AEEERN CO[C@]1(C)CC[C@@H](C(C)(C)C=O)C1 238413813 573480319 /nfs/dbraw/zinc/48/03/19/573480319.db2.gz VHHJDSUIDWBDSJ-MWLCHTKSSA-N 0 0 184.279 2.417 10 30 AEEERN C[C@@H](O)C#Cc1cccc2ccoc12 238414136 573480403 /nfs/dbraw/zinc/48/04/03/573480403.db2.gz FJSKUNSYBQETPZ-SECBINFHSA-N 0 0 186.210 2.165 10 30 AEEERN C[C@H](C#N)c1nc2ccccc2n1C 107288958 573480436 /nfs/dbraw/zinc/48/04/36/573480436.db2.gz LCIIHFUDURZWET-MRVPVSSYSA-N 0 0 185.230 2.200 10 30 AEEERN C=C[C@](C)(OC)[C@@H](O)c1ccccc1 308596050 573481810 /nfs/dbraw/zinc/48/18/10/573481810.db2.gz RUIJCBVAZMGJCY-RYUDHWBXSA-N 0 0 192.258 2.311 10 30 AEEERN Fc1ccccc1NCS 258674464 573481814 /nfs/dbraw/zinc/48/18/14/573481814.db2.gz OTALLCDFBUUNKW-UHFFFAOYSA-N 0 0 157.213 2.125 10 30 AEEERN C=CC[C@H](CO)C[C@@H]1CCCS1 715843753 573481832 /nfs/dbraw/zinc/48/18/32/573481832.db2.gz AAJBFCRZULDMRA-UWVGGRQHSA-N 0 0 186.320 2.457 10 30 AEEERN CCCN[C@@]1(C#N)CCC[C@H]1C 83402398 573481909 /nfs/dbraw/zinc/48/19/09/573481909.db2.gz DBCMTAOHIZRKAT-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@]1(C#N)NC1CC1 235605087 573481978 /nfs/dbraw/zinc/48/19/78/573481978.db2.gz AHUFSGUXQDXLPK-CABZTGNLSA-N 0 0 192.306 2.457 10 30 AEEERN C=CC[C@@]1(C=O)CCC[C@@H](C)C1=O 238414676 573482024 /nfs/dbraw/zinc/48/20/24/573482024.db2.gz PLBHYIRJCFHBRL-KOLCDFICSA-N 0 0 180.247 2.137 10 30 AEEERN CCCN[C@@]1(C#N)CCC[C@@H]1C 83402396 573482048 /nfs/dbraw/zinc/48/20/48/573482048.db2.gz DBCMTAOHIZRKAT-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN Cc1cc2[nH]c(CC#N)nc2cc1F 107288245 573482086 /nfs/dbraw/zinc/48/20/86/573482086.db2.gz KVBYRTBZPSGKOK-UHFFFAOYSA-N 0 0 189.193 2.077 10 30 AEEERN C=C[C@H](CCCO)[C@@H](C=C)CCCO 308595713 573482097 /nfs/dbraw/zinc/48/20/97/573482097.db2.gz RSTRBKHKSYBUFC-TXEJJXNPSA-N 0 0 198.306 2.136 10 30 AEEERN C[C@@H](C#N)c1nc2ccccc2o1 107291959 573482106 /nfs/dbraw/zinc/48/21/06/573482106.db2.gz MDRLVZSRYQCOPC-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN Cc1cccc2oc(CC#N)nc12 107291872 573482170 /nfs/dbraw/zinc/48/21/70/573482170.db2.gz YPYIBWDKYRUUKK-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN C=C([C@@H](C)O)[C@H]1CC=CCC1 238415550 573482187 /nfs/dbraw/zinc/48/21/87/573482187.db2.gz VVBXXDUJRADJIL-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@](C)(OC)[C@H](O)c1ccccc1 308596045 573482204 /nfs/dbraw/zinc/48/22/04/573482204.db2.gz RUIJCBVAZMGJCY-NEPJUHHUSA-N 0 0 192.258 2.311 10 30 AEEERN C=C[C@H](O)C/C=C/CC[C@H](O)/C=C/C 308595201 573482332 /nfs/dbraw/zinc/48/23/32/573482332.db2.gz RNUCIRODTXLBNP-SKBWRXHKSA-N 0 0 196.290 2.197 10 30 AEEERN C=C[C@@H](CCCO)[C@@H](C=C)CCCO 308595712 573482408 /nfs/dbraw/zinc/48/24/08/573482408.db2.gz RSTRBKHKSYBUFC-RYUDHWBXSA-N 0 0 198.306 2.136 10 30 AEEERN Cc1ccc(O[C@H](C)C=O)cc1C 238415938 573482475 /nfs/dbraw/zinc/48/24/75/573482475.db2.gz KXOOIBMRYIVGSJ-SNVBAGLBSA-N 0 0 178.231 2.270 10 30 AEEERN C=C[C@@H](Oc1ccccc1)[C@H](C)CO 308596970 573482476 /nfs/dbraw/zinc/48/24/76/573482476.db2.gz SHXHXQITTPMMDK-ZYHUDNBSSA-N 0 0 192.258 2.248 10 30 AEEERN C=C1CC[C@@H]2CC(=O)C=C[C@@]12C 238414815 573482516 /nfs/dbraw/zinc/48/25/16/573482516.db2.gz QODXZGVPCVSJSO-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN C[C@@H]1CCC[C@@]1(C#N)N1CCCC1 83395974 573482606 /nfs/dbraw/zinc/48/26/06/573482606.db2.gz RRSTWNACPTXSMU-MNOVXSKESA-N 0 0 178.279 2.165 10 30 AEEERN CCc1ccc(CC=O)s1 78434597 573483441 /nfs/dbraw/zinc/48/34/41/573483441.db2.gz MGRAZENPLLANNZ-UHFFFAOYSA-N 0 0 154.234 2.052 10 30 AEEERN CC(=O)/C=C(\C)CCCC(C)=O 143345053 573487615 /nfs/dbraw/zinc/48/76/15/573487615.db2.gz QAPFMYRACNTABJ-BQYQJAHWSA-N 0 0 168.236 2.281 10 30 AEEERN C=C(C)[C@H](C)C(=O)NC(C)(C)C 238415317 573482635 /nfs/dbraw/zinc/48/26/35/573482635.db2.gz QYACHWIZFFDUQW-QMMMGPOBSA-N 0 0 169.268 2.113 10 30 AEEERN C[C@@H]1CCC[C@@]12CC=CC2=O 238415934 573482643 /nfs/dbraw/zinc/48/26/43/573482643.db2.gz RBAQMSXYGYZEIG-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1cc(CCC=O)cc(O)c1C 258045944 573482647 /nfs/dbraw/zinc/48/26/47/573482647.db2.gz QPRYWVDNVFNTPK-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN C=C[C@@](C)(OC)[C@@H](O)c1ccccc1 308596048 573482744 /nfs/dbraw/zinc/48/27/44/573482744.db2.gz RUIJCBVAZMGJCY-NWDGAFQWSA-N 0 0 192.258 2.311 10 30 AEEERN C=C(C)[C@H]1C(=O)C[C@@H](C)[C@@H]1C 238415656 573482854 /nfs/dbraw/zinc/48/28/54/573482854.db2.gz CPNFMOZXEONTIK-KHQFGBGNSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1cccc(C)c1O[C@H](C)C=O 238414875 573482910 /nfs/dbraw/zinc/48/29/10/573482910.db2.gz MEKOUGYUARCKID-SNVBAGLBSA-N 0 0 178.231 2.270 10 30 AEEERN C#CCON[C@H](C)c1cc(C)oc1C 308594759 573482932 /nfs/dbraw/zinc/48/29/32/573482932.db2.gz XWACNOJECREDHU-SECBINFHSA-N 0 0 193.246 2.112 10 30 AEEERN C[C@@H]1C[C@]1(C)C(Cl)=NO 714699433 573483017 /nfs/dbraw/zinc/48/30/17/573483017.db2.gz PUMHKAZEGAYUPL-XINAWCOVSA-N 0 0 147.605 2.059 10 30 AEEERN C[C@H](C#N)OCCOC1CCCCC1 308594865 573483124 /nfs/dbraw/zinc/48/31/24/573483124.db2.gz REARSRNVGUQROO-SNVBAGLBSA-N 0 0 197.278 2.264 10 30 AEEERN C#CC(=O)[C@]1(C)CCC[C@H]1C 238415507 573483126 /nfs/dbraw/zinc/48/31/26/573483126.db2.gz NBVCTZNQUFAOBJ-PSASIEDQSA-N 0 0 150.221 2.015 10 30 AEEERN COc1ccc(C)c(F)c1C#N 258045941 573483130 /nfs/dbraw/zinc/48/31/30/573483130.db2.gz QPRHOPSDPPZQJV-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN C=C[C@@H](Oc1ccccc1)[C@@H](C)CO 308596967 573483247 /nfs/dbraw/zinc/48/32/47/573483247.db2.gz SHXHXQITTPMMDK-CMPLNLGQSA-N 0 0 192.258 2.248 10 30 AEEERN N#CC[C@@H]1CCCC[C@@H]1C#N 259471151 573483276 /nfs/dbraw/zinc/48/32/76/573483276.db2.gz BOPNPHNBEKJEKQ-DTWKUNHWSA-N 0 0 148.209 2.230 10 30 AEEERN C[C@H](C#N)c1cccc2c1NCC2 238414622 573483294 /nfs/dbraw/zinc/48/32/94/573483294.db2.gz VFFFGJAVDOOMLY-MRVPVSSYSA-N 0 0 172.231 2.282 10 30 AEEERN C[C@H]1C[C@@]1(C)C(Cl)=NO 714699432 573483360 /nfs/dbraw/zinc/48/33/60/573483360.db2.gz PUMHKAZEGAYUPL-UJURSFKZSA-N 0 0 147.605 2.059 10 30 AEEERN CO[C@@H](C=O)CCc1cccc(C)c1 257819450 573484970 /nfs/dbraw/zinc/48/49/70/573484970.db2.gz FKRSYXBBKJBYAH-GFCCVEGCSA-N 0 0 192.258 2.142 10 30 AEEERN C=C(CO)[C@@H](C)[Si](C)(C)C 238414822 573484973 /nfs/dbraw/zinc/48/49/73/573484973.db2.gz WRRJYQXUASKPHB-MRVPVSSYSA-N 0 0 158.317 2.263 10 30 AEEERN CC[C@H](C)OC(=O)CCCS 145387410 573484444 /nfs/dbraw/zinc/48/44/44/573484444.db2.gz PQZHJUVTZRVYGJ-ZETCQYMHSA-N 0 0 176.281 2.038 10 30 AEEERN C=C([C@@H]1CC=CCC1)[C@@H](C)O 238415604 573484651 /nfs/dbraw/zinc/48/46/51/573484651.db2.gz VVBXXDUJRADJIL-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C1CC[C@H]2CC(=O)C=C[C@@]12C 238414731 573484630 /nfs/dbraw/zinc/48/46/30/573484630.db2.gz QODXZGVPCVSJSO-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC[C@@H](CO)C[C@H]1CCCS1 715843746 573484795 /nfs/dbraw/zinc/48/47/95/573484795.db2.gz AAJBFCRZULDMRA-NXEZZACHSA-N 0 0 186.320 2.457 10 30 AEEERN C=CC[C@@H](CO)C[C@@H]1CCCS1 715843759 573484813 /nfs/dbraw/zinc/48/48/13/573484813.db2.gz AAJBFCRZULDMRA-ZJUUUORDSA-N 0 0 186.320 2.457 10 30 AEEERN C[C@@H]1CC(=O)[C@@]2(C)C(C)(C)[C@@]12C#N 238415314 573484857 /nfs/dbraw/zinc/48/48/57/573484857.db2.gz FXDCUGYKWOKNNN-PPKCKEKNSA-N 0 0 177.247 2.151 10 30 AEEERN C=C[C@H](C)CC(=C)[C@@H](C)O 238415352 573484879 /nfs/dbraw/zinc/48/48/79/573484879.db2.gz FAWIGZXVFJMKFC-IONNQARKSA-N 0 0 140.226 2.136 10 30 AEEERN C#Cc1ccccc1C#C[C@H](O)CCC 238253122 573487453 /nfs/dbraw/zinc/48/74/53/573487453.db2.gz VPYJRFSKVAANBR-CQSZACIVSA-N 0 0 198.265 2.180 10 30 AEEERN CO[C@]1(C=O)CC[C@@]2(C)C=C(C)[C@@H]1C2 238416254 573487454 /nfs/dbraw/zinc/48/74/54/573487454.db2.gz JHGAJWOGOKCOMR-SRVKXCTJSA-N 0 0 194.274 2.337 10 30 AEEERN COc1cccc([C@H](O)CCS)c1 259107383 573489931 /nfs/dbraw/zinc/48/99/31/573489931.db2.gz KFSQSKLCLRAAIB-SNVBAGLBSA-N 0 0 198.287 2.049 10 30 AEEERN C[C@@H](O)c1c[nH]c2cc(C#N)ccc12 235236476 573486650 /nfs/dbraw/zinc/48/66/50/573486650.db2.gz BQBVNNDPNUDHPV-SSDOTTSWSA-N 0 0 186.214 2.093 10 30 AEEERN C[C@@H]1CCC[C@]1(C#N)N1CCCC1 83395980 573486816 /nfs/dbraw/zinc/48/68/16/573486816.db2.gz RRSTWNACPTXSMU-GHMZBOCLSA-N 0 0 178.279 2.165 10 30 AEEERN C[C@H]1CCC[C@@]12CC(=O)C=CO2 83396938 573486961 /nfs/dbraw/zinc/48/69/61/573486961.db2.gz OXCJPOSNNREDHH-WCBMZHEXSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H](C=O)Cc1ccc2ocnc2c1 238416229 573486965 /nfs/dbraw/zinc/48/69/65/573486965.db2.gz LVKVGCFAMYYLCJ-MRVPVSSYSA-N 0 0 189.214 2.205 10 30 AEEERN Cc1c(-c2ccco2)noc1C#N 259470346 573486980 /nfs/dbraw/zinc/48/69/80/573486980.db2.gz MUPVDJOHKPRZLG-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN CC(=O)/C(C)=C\C(C)C 107296526 573487033 /nfs/dbraw/zinc/48/70/33/573487033.db2.gz AXZFDNRZRXXTJP-ALCCZGGFSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@H](CCC)[C@]1(CO)CCCC1=O 308593648 573487126 /nfs/dbraw/zinc/48/71/26/573487126.db2.gz QNAJHEAKRNMZDB-ZYHUDNBSSA-N 0 0 196.290 2.320 10 30 AEEERN N#Cc1ccccc1OCc1ccc[nH]1 259470581 573487181 /nfs/dbraw/zinc/48/71/81/573487181.db2.gz HDWRBEDQHTVLTC-UHFFFAOYSA-N 0 0 198.225 2.465 10 30 AEEERN CO[C@@](C)(CC=O)CC1CCC1 258501142 573487224 /nfs/dbraw/zinc/48/72/24/573487224.db2.gz KXIMVRDBEZYJCL-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C[C@@H](CO)/N=C\CCc1ccccc1 308593280 573487297 /nfs/dbraw/zinc/48/72/97/573487297.db2.gz QGKWZMXFYLANGB-KWJWQAOWSA-N 0 0 191.274 2.071 10 30 AEEERN C[C@H](CO)/N=C/CCc1ccccc1 308593282 573487522 /nfs/dbraw/zinc/48/75/22/573487522.db2.gz QGKWZMXFYLANGB-VSXLWIIGSA-N 0 0 191.274 2.071 10 30 AEEERN C[C@H](C=O)Cc1ccc(F)c(C#N)c1 238406395 573487543 /nfs/dbraw/zinc/48/75/43/573487543.db2.gz PNIIRKLWHKMBDE-QMMMGPOBSA-N 0 0 191.205 2.075 10 30 AEEERN CC1([C@@H]2OCCC[C@H]2C#N)CCC1 686131630 573487633 /nfs/dbraw/zinc/48/76/33/573487633.db2.gz SVNPQABWZLVTNC-VHSXEESVSA-N 0 0 179.263 2.495 10 30 AEEERN N#CC[C@@H]1CCCC[C@H]1C#N 259471153 573487640 /nfs/dbraw/zinc/48/76/40/573487640.db2.gz BOPNPHNBEKJEKQ-IUCAKERBSA-N 0 0 148.209 2.230 10 30 AEEERN C=CCCC[NH2+]C[C@H](CC)CC(=O)[O-] 308593464 573487667 /nfs/dbraw/zinc/48/76/67/573487667.db2.gz XBHYDFMEDVCQGR-SNVBAGLBSA-N 0 0 199.294 2.043 10 30 AEEERN N#Cc1cc(-c2c[nH]c3c2CCC3)no1 259470235 573487748 /nfs/dbraw/zinc/48/77/48/573487748.db2.gz MRRIYFYKQCQGEJ-UHFFFAOYSA-N 0 0 199.213 2.030 10 30 AEEERN Cc1cc(-c2ccncc2CC#N)no1 259612811 573487824 /nfs/dbraw/zinc/48/78/24/573487824.db2.gz BRRMKUQNHQBXGR-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN C#CC[C@@H]1CC[C@H]2CC(=O)C[C@@]12C 238417033 573487849 /nfs/dbraw/zinc/48/78/49/573487849.db2.gz SWPWZCNVQANUFC-SCVCMEIPSA-N 0 0 176.259 2.405 10 30 AEEERN CC1([C@H]2OCCC[C@H]2C#N)CCC1 686131629 573487934 /nfs/dbraw/zinc/48/79/34/573487934.db2.gz SVNPQABWZLVTNC-UWVGGRQHSA-N 0 0 179.263 2.495 10 30 AEEERN C=C(C)C1=CCC[C@@]1(CO)CCCO 308593336 573488136 /nfs/dbraw/zinc/48/81/36/573488136.db2.gz QISWIIWYBMVKJI-LBPRGKRZSA-N 0 0 196.290 2.034 10 30 AEEERN CCc1cccc(C)c1NC(=O)C#N 258678557 573488160 /nfs/dbraw/zinc/48/81/60/573488160.db2.gz ICSWYKGPHIVGMY-UHFFFAOYSA-N 0 0 188.230 2.020 10 30 AEEERN C=C(C)[C@H]1C=CC(=O)[C@H](C)C1 238416305 573488252 /nfs/dbraw/zinc/48/82/52/573488252.db2.gz JEJOXGLYWWNRKT-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN CC(=O)Oc1cccc(Cl)c1C#N 197367496 573488303 /nfs/dbraw/zinc/48/83/03/573488303.db2.gz VHYMAIRRYQEPPE-UHFFFAOYSA-N 0 0 195.605 2.137 10 30 AEEERN C=C(CO)c1ccc(C)cc1OC 197365765 573488308 /nfs/dbraw/zinc/48/83/08/573488308.db2.gz CMZKSCLGMRNPIF-UHFFFAOYSA-N 0 0 178.231 2.009 10 30 AEEERN CC(=O)/C=C\c1ccc(C#N)cc1 197371543 573488331 /nfs/dbraw/zinc/48/83/31/573488331.db2.gz HQBRLWSRWSICCF-IHWYPQMZSA-N 0 0 171.199 2.160 10 30 AEEERN C=CC(C)(C)[C@@H](C)C(C)=O 238416171 573488334 /nfs/dbraw/zinc/48/83/34/573488334.db2.gz BNVIKAHIWGIGDR-ZETCQYMHSA-N 0 0 140.226 2.424 10 30 AEEERN C=C(C)C1=CCC[C@]1(CO)CCCO 308593335 573488362 /nfs/dbraw/zinc/48/83/62/573488362.db2.gz QISWIIWYBMVKJI-GFCCVEGCSA-N 0 0 196.290 2.034 10 30 AEEERN C[C@H](C=O)Cc1ccc(Cl)cc1O 238406344 573488426 /nfs/dbraw/zinc/48/84/26/573488426.db2.gz DQWAFBOTAWGQSN-ZETCQYMHSA-N 0 0 198.649 2.423 10 30 AEEERN C[C@@H](CO)/N=C/CCc1ccccc1 308593278 573488505 /nfs/dbraw/zinc/48/85/05/573488505.db2.gz QGKWZMXFYLANGB-GJSJWPQCSA-N 0 0 191.274 2.071 10 30 AEEERN C[C@@H]1CCc2cc(C#N)ccc2N1 238416074 573488578 /nfs/dbraw/zinc/48/85/78/573488578.db2.gz ZYCHZIBPLUHMLH-MRVPVSSYSA-N 0 0 172.231 2.305 10 30 AEEERN Cn1cc(CC#N)c2cccc(C=O)c21 75124394 573488637 /nfs/dbraw/zinc/48/86/37/573488637.db2.gz PESLEGYDXITPQX-UHFFFAOYSA-N 0 0 198.225 2.057 10 30 AEEERN O=C[C@@H]1CCc2cc(Cl)ccc2O1 259475159 573489102 /nfs/dbraw/zinc/48/91/02/573489102.db2.gz HNVKJLJALNYIKL-VIFPVBQESA-N 0 0 196.633 2.233 10 30 AEEERN C=CCN[C@]1(C#N)CC(C)(C)C[C@@H]1C 235606181 573489257 /nfs/dbraw/zinc/48/92/57/573489257.db2.gz YJXMAFFBNZJDLV-JQWIXIFHSA-N 0 0 192.306 2.480 10 30 AEEERN COc1ccc(C)cc1NCS 258680514 573489357 /nfs/dbraw/zinc/48/93/57/573489357.db2.gz PHMDMQHSAIJHKE-UHFFFAOYSA-N 0 0 183.276 2.303 10 30 AEEERN N#CCCNc1cc(N=O)ccc1O 197363712 573489563 /nfs/dbraw/zinc/48/95/63/573489563.db2.gz YCEJJXRDYVNUIL-UHFFFAOYSA-N 0 0 191.190 2.116 10 30 AEEERN O=C[C@H]1CCc2cc(Cl)ccc2O1 259475158 573489608 /nfs/dbraw/zinc/48/96/08/573489608.db2.gz HNVKJLJALNYIKL-SECBINFHSA-N 0 0 196.633 2.233 10 30 AEEERN COc1ccc(NCC#N)c(C)c1C 258680309 573489612 /nfs/dbraw/zinc/48/96/12/573489612.db2.gz CGCOVMMVYWSRKG-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN C=C(C)[C@@H](O)CC(=S)SC 238406434 573489756 /nfs/dbraw/zinc/48/97/56/573489756.db2.gz KSRZIWPOACBGCG-LURJTMIESA-N 0 0 176.306 2.004 10 30 AEEERN Cc1cc(C#N)cc2c1OCCCO2 258039159 573489822 /nfs/dbraw/zinc/48/98/22/573489822.db2.gz JPRDVWNTRANOMN-UHFFFAOYSA-N 0 0 189.214 2.028 10 30 AEEERN CC1([C@H]2OCCC[C@@H]2C#N)CCC1 686131631 573489864 /nfs/dbraw/zinc/48/98/64/573489864.db2.gz SVNPQABWZLVTNC-ZJUUUORDSA-N 0 0 179.263 2.495 10 30 AEEERN COc1cccc([C@@H](O)CCS)c1 259107377 573489974 /nfs/dbraw/zinc/48/99/74/573489974.db2.gz KFSQSKLCLRAAIB-JTQLQIEISA-N 0 0 198.287 2.049 10 30 AEEERN C[C@H](CO)/N=C\CCc1ccccc1 308593281 573490020 /nfs/dbraw/zinc/49/00/20/573490020.db2.gz QGKWZMXFYLANGB-NASPGAHYSA-N 0 0 191.274 2.071 10 30 AEEERN C#CC[C@H](C)CCCC=O 238416383 573490003 /nfs/dbraw/zinc/49/00/03/573490003.db2.gz MTOPWGZHIHDNJJ-VIFPVBQESA-N 0 0 138.210 2.015 10 30 AEEERN CC1([C@@H]2OCCC[C@@H]2C#N)CCC1 686131620 573490149 /nfs/dbraw/zinc/49/01/49/573490149.db2.gz SVNPQABWZLVTNC-NXEZZACHSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CNc2cccc(C#N)c21 238406360 573490243 /nfs/dbraw/zinc/49/02/43/573490243.db2.gz XQHCUPPQKQIEJE-SSDOTTSWSA-N 0 0 158.204 2.087 10 30 AEEERN C[C@@H]1CCc2ccc(C#N)cc2N1 238416938 573490375 /nfs/dbraw/zinc/49/03/75/573490375.db2.gz CHWTXYMTVOSYMY-MRVPVSSYSA-N 0 0 172.231 2.305 10 30 AEEERN Cc1c(CCC#N)ccc2c1CCO2 259472851 573491504 /nfs/dbraw/zinc/49/15/04/573491504.db2.gz NBDUVJXPZAQSKO-UHFFFAOYSA-N 0 0 187.242 2.386 10 30 AEEERN Cc1cc2cnc(C#N)cc2o1 259612260 573491553 /nfs/dbraw/zinc/49/15/53/573491553.db2.gz DZHUADOQCUAGHP-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN CC1=C([C@@H](C)C#N)C(=O)C(C)(C)C1 238408532 573492238 /nfs/dbraw/zinc/49/22/38/573492238.db2.gz UJBWWSDHMYGHIM-QMMMGPOBSA-N 0 0 177.247 2.462 10 30 AEEERN C=C1CC2=C(C[C@H](C)CC2=O)O1 238406768 573491555 /nfs/dbraw/zinc/49/15/55/573491555.db2.gz CUUPPWVDVAHMNZ-ZCFIWIBFSA-N 0 0 164.204 2.174 10 30 AEEERN CC1=CC=C(C)[C@H](C)CC1=O 238406607 573491749 /nfs/dbraw/zinc/49/17/49/573491749.db2.gz WHEIXVSYASNGQE-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@@H]1CC(=O)C2=C(C1)O[C@H](C)C2 238406824 573491762 /nfs/dbraw/zinc/49/17/62/573491762.db2.gz QPGZQTNULCZLDW-RNFRBKRXSA-N 0 0 166.220 2.048 10 30 AEEERN Cc1cc(C)c(CCC=O)c(O)c1 258044446 573491773 /nfs/dbraw/zinc/49/17/73/573491773.db2.gz QMMVMNRQGAJEEG-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN C=C(CC(=O)OC)C1CCCC1 258044061 573491781 /nfs/dbraw/zinc/49/17/81/573491781.db2.gz CUIZZPYUPZZLNV-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CC(C)c1ccccc1NC(=O)C#N 258684906 573491850 /nfs/dbraw/zinc/49/18/50/573491850.db2.gz IREUCCCPSRIOIZ-UHFFFAOYSA-N 0 0 188.230 2.272 10 30 AEEERN CON=C(C)Cc1ncccc1Cl 308394457 573492016 /nfs/dbraw/zinc/49/20/16/573492016.db2.gz CMMMBXQWADXMPF-UHFFFAOYSA-N 0 0 198.653 2.300 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1cncs1 308394659 573492107 /nfs/dbraw/zinc/49/21/07/573492107.db2.gz CMXRTMVIGWRSFB-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C[C@H](C=O)Cc1cccc(C#N)c1F 238408501 573492490 /nfs/dbraw/zinc/49/24/90/573492490.db2.gz NLHWOOQYMNYKHU-QMMMGPOBSA-N 0 0 191.205 2.075 10 30 AEEERN C=C[C@H](CC)OC(=O)c1cncs1 308394658 573492561 /nfs/dbraw/zinc/49/25/61/573492561.db2.gz CMXRTMVIGWRSFB-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN O=C1/C(=C\c2ccc[nH]2)[C@@H]2C=CC[C@@H]12 308394675 573492568 /nfs/dbraw/zinc/49/25/68/573492568.db2.gz OCMZSDHQQAZHEL-RSOYDTTOSA-N 0 0 185.226 2.173 10 30 AEEERN COc1cc2sncc2cc1C#N 238408530 573492919 /nfs/dbraw/zinc/49/29/19/573492919.db2.gz LLLAJNIJJROEGG-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN C[C@@H]1OC2=C(C(=O)CCC2)[C@@H]1C 238408591 573492730 /nfs/dbraw/zinc/49/27/30/573492730.db2.gz PBGNMFQBQKUSEU-RQJHMYQMSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H]1Cc2ccccc2C=CC1=O 238408167 573492840 /nfs/dbraw/zinc/49/28/40/573492840.db2.gz YDPQBWNXKOBHKE-SECBINFHSA-N 0 0 172.227 2.461 10 30 AEEERN Cc1cc2c(cc1N)C[C@H](C#N)S2 259473874 573493222 /nfs/dbraw/zinc/49/32/22/573493222.db2.gz QLBUEQVAEXIJSM-MRVPVSSYSA-N 0 0 190.271 2.118 10 30 AEEERN Cc1ccc(-c2noc(C#N)c2N)cc1 259473845 573493245 /nfs/dbraw/zinc/49/32/45/573493245.db2.gz QKDYKPOFEYWISV-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN CC(C)CCC(C)(C)NC(=O)CC#N 258684477 573493379 /nfs/dbraw/zinc/49/33/79/573493379.db2.gz WKEJNEMBHUELQX-UHFFFAOYSA-N 0 0 196.294 2.231 10 30 AEEERN C=CC[C@H](C)C[C@H](C)CO 238431780 573494878 /nfs/dbraw/zinc/49/48/78/573494878.db2.gz RXKIHHCNRONOOT-IUCAKERBSA-N 0 0 142.242 2.217 10 30 AEEERN C=CCC(CC=C)C(=O)OCCF 308393633 573494907 /nfs/dbraw/zinc/49/49/07/573494907.db2.gz BXDRENHNFWBOOX-UHFFFAOYSA-N 0 0 186.226 2.268 10 30 AEEERN C=C(C)CC(C)(C)[C@@H](C)O 238420606 573494941 /nfs/dbraw/zinc/49/49/41/573494941.db2.gz BXBRILDJBMGANN-MRVPVSSYSA-N 0 0 142.242 2.360 10 30 AEEERN C[C@H]1CC(C)(C)C[C@]1(O)CC#N 235609509 573496626 /nfs/dbraw/zinc/49/66/26/573496626.db2.gz ZTDHOLHJZMRWFU-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN C/C=C\CCNc1ccnc(C#N)c1 308392856 573496727 /nfs/dbraw/zinc/49/67/27/573496727.db2.gz QIIYHQHNRIDTTC-IHWYPQMZSA-N 0 0 187.246 2.331 10 30 AEEERN C[C@@H]1CCC[C@H]1CCC=O 238420809 573496736 /nfs/dbraw/zinc/49/67/36/573496736.db2.gz YIHOLUYUAFHUKU-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN C=C[C@@H](C(N)=O)[C@H](C)c1ccccc1 238426898 573496766 /nfs/dbraw/zinc/49/67/66/573496766.db2.gz VQTPSOYRAPXSNQ-MWLCHTKSSA-N 0 0 189.258 2.078 10 30 AEEERN CC#CCOC(=O)CC(CC)CC 308393055 573497092 /nfs/dbraw/zinc/49/70/92/573497092.db2.gz BYMREBFUPOBPMN-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C=C[C@@H](CO)c1ccc(OC)c(C)c1 308608149 573497262 /nfs/dbraw/zinc/49/72/62/573497262.db2.gz XIWRTRGPGCWKLS-JTQLQIEISA-N 0 0 192.258 2.266 10 30 AEEERN N#Cc1cc(Cc2ccco2)ns1 259475818 573497320 /nfs/dbraw/zinc/49/73/20/573497320.db2.gz QSZNZISUXULOMY-UHFFFAOYSA-N 0 0 190.227 2.199 10 30 AEEERN C[C@@](N)(CC#N)c1cc(F)cc(F)c1 238420730 573497390 /nfs/dbraw/zinc/49/73/90/573497390.db2.gz GNSNVOKECZYPGK-SNVBAGLBSA-N 0 0 196.200 2.052 10 30 AEEERN C#CCCCSCc1nc(C)no1 308393071 573497465 /nfs/dbraw/zinc/49/74/65/573497465.db2.gz ZWTMQAMRNMMFAV-UHFFFAOYSA-N 0 0 196.275 2.025 10 30 AEEERN C=C(C)c1ccnn1C(C)C 259478604 573497545 /nfs/dbraw/zinc/49/75/45/573497545.db2.gz XCWRWCXGEWOHED-UHFFFAOYSA-N 0 0 150.225 2.497 10 30 AEEERN C[C@@](N)(CC#N)c1c(F)cccc1F 238420610 573497626 /nfs/dbraw/zinc/49/76/26/573497626.db2.gz SAPPYFXFINVDPW-SNVBAGLBSA-N 0 0 196.200 2.052 10 30 AEEERN CC1(C)O[C@@H]1c1ccc2c(c1)OCO2 259476056 573497665 /nfs/dbraw/zinc/49/76/65/573497665.db2.gz XXKYFXFTEQEYJF-SNVBAGLBSA-N 0 0 192.214 2.265 10 30 AEEERN C=C1CCCCC=C1[C@H](C)O 238421714 573497687 /nfs/dbraw/zinc/49/76/87/573497687.db2.gz ZRBRJGSSKMCPOP-VIFPVBQESA-N 0 0 152.237 2.424 10 30 AEEERN CCCCCC(C)N=NCCOC 308397552 573497726 /nfs/dbraw/zinc/49/77/26/573497726.db2.gz FHUHWQDQXPBJNZ-UHFFFAOYSA-N 0 0 186.299 2.179 10 30 AEEERN CC[C@@H](C)N1Cc2coc(C#N)c2C1 259477408 573497825 /nfs/dbraw/zinc/49/78/25/573497825.db2.gz QTOADBZHSDRMKX-MRVPVSSYSA-N 0 0 190.246 2.265 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@H](C)CC1 83428309 573497856 /nfs/dbraw/zinc/49/78/56/573497856.db2.gz NXTUTYWRPGYNDW-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CO[C@](C)(CC=O)C1CCCC1 258499357 573497922 /nfs/dbraw/zinc/49/79/22/573497922.db2.gz KUDNEQSUFGRNEY-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN CCCc1ccc(NC(=O)C#N)cc1 258697305 573498025 /nfs/dbraw/zinc/49/80/25/573498025.db2.gz MXJDSWBWBBWXCD-UHFFFAOYSA-N 0 0 188.230 2.101 10 30 AEEERN COc1cc(C#N)c(CF)cc1OC 258047670 573499455 /nfs/dbraw/zinc/49/94/55/573499455.db2.gz KHIXLQBGMCMPSK-UHFFFAOYSA-N 0 0 195.193 2.045 10 30 AEEERN C/N=C(\SC)c1ccccc1OC 258706179 573498449 /nfs/dbraw/zinc/49/84/49/573498449.db2.gz NLVNGPPNOHEIGA-KHPPLWFESA-N 0 0 195.287 2.435 10 30 AEEERN C#CCN[C@]1(C#N)CCC[C@H](C)CC1 83428389 573498564 /nfs/dbraw/zinc/49/85/64/573498564.db2.gz HOIXXXDFKIZZGE-NWDGAFQWSA-N 0 0 190.290 2.072 10 30 AEEERN CCN[C@]1(C#N)CCC[C@H](C)CC1 83428308 573498590 /nfs/dbraw/zinc/49/85/90/573498590.db2.gz NXTUTYWRPGYNDW-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN C[C@H](C=O)Oc1ccccc1Cl 238418760 573498594 /nfs/dbraw/zinc/49/85/94/573498594.db2.gz AEUBHRINHFKDFO-SSDOTTSWSA-N 0 0 184.622 2.306 10 30 AEEERN C=C1C(=O)[C@H](C)CC1(C)C 238418491 573498676 /nfs/dbraw/zinc/49/86/76/573498676.db2.gz FXYRXBLEQWEMBH-ZCFIWIBFSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@H](C)N1Cc2coc(C#N)c2C1 259477409 573498756 /nfs/dbraw/zinc/49/87/56/573498756.db2.gz QTOADBZHSDRMKX-QMMMGPOBSA-N 0 0 190.246 2.265 10 30 AEEERN COc1ccc(O)cc1[C@@H](C)CC=O 258047814 573498910 /nfs/dbraw/zinc/49/89/10/573498910.db2.gz KJYYMWDUCXXLDI-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN CC1=C[C@H](C)C[C@@H](C)C1=O 238418197 573498963 /nfs/dbraw/zinc/49/89/63/573498963.db2.gz MITLMGZPTDRPCJ-POYBYMJQSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1cccc(NCCCS)c1 258697372 573499058 /nfs/dbraw/zinc/49/90/58/573499058.db2.gz QYPPJHBAFIQZOB-UHFFFAOYSA-N 0 0 192.287 2.290 10 30 AEEERN C=C(C)Cn1cc(C(C)=O)nc1CC 308607412 573499428 /nfs/dbraw/zinc/49/94/28/573499428.db2.gz WYHLQTZEFPUPJE-UHFFFAOYSA-N 0 0 192.262 2.224 10 30 AEEERN C=CCOC(=O)CCCC(F)(F)F 308399121 573499479 /nfs/dbraw/zinc/49/94/79/573499479.db2.gz HEMNVRDVAYSZMU-UHFFFAOYSA-N 0 0 196.168 2.448 10 30 AEEERN N#Cc1sc2nccnc2c1Cl 259613279 573499505 /nfs/dbraw/zinc/49/95/05/573499505.db2.gz GVCAADLICFLFTI-UHFFFAOYSA-N 0 0 195.634 2.216 10 30 AEEERN N#Cc1cc(-c2ccccc2)ncc1O 258700324 573499593 /nfs/dbraw/zinc/49/95/93/573499593.db2.gz WHIGHBNYXKCBNS-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN CC[C@@H](C)NN=C[C@H](C)CCC#N 308398948 573499601 /nfs/dbraw/zinc/49/96/01/573499601.db2.gz GFWQWSRIUSIJTN-NXEZZACHSA-N 0 0 181.283 2.300 10 30 AEEERN CC1(C)O[C@H]1c1ccc2c(c1)OCO2 259476052 573499654 /nfs/dbraw/zinc/49/96/54/573499654.db2.gz XXKYFXFTEQEYJF-JTQLQIEISA-N 0 0 192.214 2.265 10 30 AEEERN COc1ccc(NCC#N)c(Cl)c1 258698726 573502468 /nfs/dbraw/zinc/50/24/68/573502468.db2.gz DQCDIJAYWRCPQD-UHFFFAOYSA-N 0 0 196.637 2.284 10 30 AEEERN C[C@](C#N)(CCC#N)c1ccccc1N 259481259 573502686 /nfs/dbraw/zinc/50/26/86/573502686.db2.gz HXDCWPDHTIBXBZ-GFCCVEGCSA-N 0 0 199.257 2.354 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@@H](CC)OCC 714961162 573502771 /nfs/dbraw/zinc/50/27/71/573502771.db2.gz RQXJXHQVZRFENQ-HBNTYKKESA-N 0 0 186.295 2.375 10 30 AEEERN C[C@@H](CC#N)CNC(=O)OC(C)(C)C 238417412 573502739 /nfs/dbraw/zinc/50/27/39/573502739.db2.gz UPCJMLYNDFQJKG-QMMMGPOBSA-N 0 0 198.266 2.061 10 30 AEEERN Cc1cc(N)c2cc(C#N)[nH]c2c1C 259613339 573502763 /nfs/dbraw/zinc/50/27/63/573502763.db2.gz GGDSCCAUEUFKPV-UHFFFAOYSA-N 0 0 185.230 2.239 10 30 AEEERN C[C@@H]1CCC/C(=N/O)CC1 83434767 573501443 /nfs/dbraw/zinc/50/14/43/573501443.db2.gz ZUSGBOURLAXKQR-HPWUZBQLSA-N 0 0 141.214 2.417 10 30 AEEERN Cc1nc(C#N)oc1Cc1ccco1 259613256 573501526 /nfs/dbraw/zinc/50/15/26/573501526.db2.gz GFKUQYFIDUOOIY-UHFFFAOYSA-N 0 0 188.186 2.039 10 30 AEEERN Cn1cc(CS)c2ccc(N)cc21 258046879 573501670 /nfs/dbraw/zinc/50/16/70/573501670.db2.gz NZXNOHXGAHNCMO-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@@H](C)CC1 83428311 573501749 /nfs/dbraw/zinc/50/17/49/573501749.db2.gz NXTUTYWRPGYNDW-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN C[C@@H]1CCc2cccc(C#N)c2N1 238417397 573501834 /nfs/dbraw/zinc/50/18/34/573501834.db2.gz ARKJRBWZGHJSGX-MRVPVSSYSA-N 0 0 172.231 2.305 10 30 AEEERN Cc1cc(O)c(C)c(C)c1CCC=O 259481174 573502051 /nfs/dbraw/zinc/50/20/51/573502051.db2.gz PDECVBVOQDWJDP-UHFFFAOYSA-N 0 0 192.258 2.449 10 30 AEEERN COc1ccc([C@@H]2O[C@H]2C)cc1F 258699399 573502064 /nfs/dbraw/zinc/50/20/64/573502064.db2.gz HEXJNEWVMLMNJT-QUBYGPBYSA-N 0 0 182.194 2.294 10 30 AEEERN CSCC1=C(C)CCC1=O 238418013 573502103 /nfs/dbraw/zinc/50/21/03/573502103.db2.gz CPLBOVQTTXVFDO-UHFFFAOYSA-N 0 0 156.250 2.029 10 30 AEEERN Cc1cnccc1C[C@H](C)C#N 238417310 573502141 /nfs/dbraw/zinc/50/21/41/573502141.db2.gz UVLYBECBDYBJRC-QMMMGPOBSA-N 0 0 160.220 2.092 10 30 AEEERN N#CCOC(=O)CC1CCCCC1 308397948 573502149 /nfs/dbraw/zinc/50/21/49/573502149.db2.gz GJFDZOSVWMUKGE-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN C=C[C@H](CO)c1ccc(OC)c(C)c1 308608150 573502196 /nfs/dbraw/zinc/50/21/96/573502196.db2.gz XIWRTRGPGCWKLS-SNVBAGLBSA-N 0 0 192.258 2.266 10 30 AEEERN C#CCOC(=O)[C@@H](C)C(CC)CC 308399394 573502243 /nfs/dbraw/zinc/50/22/43/573502243.db2.gz GILBJKOHBKXZJM-VIFPVBQESA-N 0 0 182.263 2.235 10 30 AEEERN C[C@H]1CC(C=O)=C(O)[C@H](C)C1 238418144 573502280 /nfs/dbraw/zinc/50/22/80/573502280.db2.gz HTIGJZWUZCGEKE-BAMBELOYSA-N 0 0 154.209 2.063 10 30 AEEERN CO[C@@](C)(CC=O)C1CCCC1 258499343 573502316 /nfs/dbraw/zinc/50/23/16/573502316.db2.gz KUDNEQSUFGRNEY-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C#CCN[C@@]1(C#N)CCC[C@@H](C)CC1 83428390 573502317 /nfs/dbraw/zinc/50/23/17/573502317.db2.gz HOIXXXDFKIZZGE-NEPJUHHUSA-N 0 0 190.290 2.072 10 30 AEEERN CC1(C)CC[C@@H]2N[C@@H](C#N)C[C@H]2C1 259481406 573502432 /nfs/dbraw/zinc/50/24/32/573502432.db2.gz BWUWDDQBPGXJQY-AEJSXWLSSA-N 0 0 178.279 2.067 10 30 AEEERN CC#CC[C@@H]1CCC(=O)[C@@H]2C[C@H]12 222695375 573502517 /nfs/dbraw/zinc/50/25/17/573502517.db2.gz WNOTTXQAOZKUFT-OPRDCNLKSA-N 0 0 162.232 2.015 10 30 AEEERN C=C[C@H](C)ONC[C@H](C)CC(F)F 688765142 573502637 /nfs/dbraw/zinc/50/26/37/573502637.db2.gz ABOFGRFQBFMFMX-SFYZADRCSA-N 0 0 193.237 2.373 10 30 AEEERN CC1(C)CCC[C@@](N)(C#N)CC1 83436053 573504696 /nfs/dbraw/zinc/50/46/96/573504696.db2.gz VUVDMCLDURSYJA-JTQLQIEISA-N 0 0 166.268 2.198 10 30 AEEERN CC[C@H]1CCC[C@@](C#N)(NC)CC1 83436055 573504661 /nfs/dbraw/zinc/50/46/61/573504661.db2.gz NHYRGNKUJRACMZ-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN C[C@@](C#N)(CCC#N)c1ccccc1N 259481263 573503720 /nfs/dbraw/zinc/50/37/20/573503720.db2.gz HXDCWPDHTIBXBZ-LBPRGKRZSA-N 0 0 199.257 2.354 10 30 AEEERN CC1(C)CC[C@@H]2N[C@H](C#N)C[C@@H]2C1 259481417 573503816 /nfs/dbraw/zinc/50/38/16/573503816.db2.gz BWUWDDQBPGXJQY-UTLUCORTSA-N 0 0 178.279 2.067 10 30 AEEERN CN[C@@]1(C#N)CCCC(C)(C)CC1 83436059 573503824 /nfs/dbraw/zinc/50/38/24/573503824.db2.gz LGFSHIACUDDFLI-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CC(C)(C)c1c[nH]c(C2(C#N)CC2)n1 259108581 573503863 /nfs/dbraw/zinc/50/38/63/573503863.db2.gz OSOQAQWYOHUEDU-UHFFFAOYSA-N 0 0 189.262 2.262 10 30 AEEERN C[C@@H]1CC(C)(C)CC(=O)[C@H]1S 238419007 573503910 /nfs/dbraw/zinc/50/39/10/573503910.db2.gz IXLJYCWBPUGYKJ-SVRRBLITSA-N 0 0 172.293 2.310 10 30 AEEERN C/C(=C\c1ccccc1C#N)[C@@H](C)O 235251683 573503952 /nfs/dbraw/zinc/50/39/52/573503952.db2.gz FNZWOLNCGZZPON-TTZKWOQHSA-N 0 0 187.242 2.342 10 30 AEEERN CCC(=O)c1ccc(C#N)cc1OC 307151536 573503991 /nfs/dbraw/zinc/50/39/91/573503991.db2.gz DOGMAMDSGXFADJ-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN CC[C@@H]1CCC[C@@](N)(C#N)CC1 83436050 573504236 /nfs/dbraw/zinc/50/42/36/573504236.db2.gz LTSRODOKEVOSSK-ZJUUUORDSA-N 0 0 166.268 2.198 10 30 AEEERN Cc1ccccc1[C@H](CO)CS 258049492 573504261 /nfs/dbraw/zinc/50/42/61/573504261.db2.gz HNGZDHLAHPFADM-SECBINFHSA-N 0 0 182.288 2.001 10 30 AEEERN Cc1ccsc1CCN[C@H](C)C#N 258714379 573504271 /nfs/dbraw/zinc/50/42/71/573504271.db2.gz FSRKMGZSGMOLTE-SECBINFHSA-N 0 0 194.303 2.101 10 30 AEEERN CC(C)(C#N)C(=O)Cc1ccccc1 258713141 573504280 /nfs/dbraw/zinc/50/42/80/573504280.db2.gz NUAFHIQHNACGPZ-UHFFFAOYSA-N 0 0 187.242 2.348 10 30 AEEERN Cc1ccc([C@H]2O[C@H]2C)c(O)c1 238419325 573504281 /nfs/dbraw/zinc/50/42/81/573504281.db2.gz CYGPIDDVIFWYQK-XVKPBYJWSA-N 0 0 164.204 2.160 10 30 AEEERN C[C@@H](S)C(=O)c1cccs1 238419901 573504309 /nfs/dbraw/zinc/50/43/09/573504309.db2.gz SJYAFMCERRVITR-RXMQYKEDSA-N 0 0 172.274 2.249 10 30 AEEERN Cc1ncc(-c2cc(C)c(C#N)[nH]2)o1 259481433 573504372 /nfs/dbraw/zinc/50/43/72/573504372.db2.gz BXDUJAMFEQMZEI-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN CC(C)[C@@H]1CCC[C@@](N)(C#N)CC1 83437748 573504374 /nfs/dbraw/zinc/50/43/74/573504374.db2.gz VWQLGRSROIKYFV-MNOVXSKESA-N 0 0 180.295 2.444 10 30 AEEERN CC[C@H]1CCC[C@@](N)(C#N)CC1 83436051 573504437 /nfs/dbraw/zinc/50/44/37/573504437.db2.gz LTSRODOKEVOSSK-UWVGGRQHSA-N 0 0 166.268 2.198 10 30 AEEERN Cc1ccc(NC(=O)C#N)cc1Cl 258710067 573504490 /nfs/dbraw/zinc/50/44/90/573504490.db2.gz KRXAOPSHLHCEQX-UHFFFAOYSA-N 0 0 194.621 2.111 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)(NC)CC1 83436056 573504674 /nfs/dbraw/zinc/50/46/74/573504674.db2.gz NHYRGNKUJRACMZ-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN C[C@@H]1CCC[C@H](S)C(=O)CC1 238420194 573504616 /nfs/dbraw/zinc/50/46/16/573504616.db2.gz YBTHBCFYRWZWCX-APPZFPTMSA-N 0 0 172.293 2.454 10 30 AEEERN C[C@H](O)C/N=C/c1cccc(Cl)c1 238420123 573504640 /nfs/dbraw/zinc/50/46/40/573504640.db2.gz VCEARFKYHBKWLK-OTIXFSKASA-N 0 0 197.665 2.140 10 30 AEEERN N#Cc1ccccc1NCCCS 258709644 573505688 /nfs/dbraw/zinc/50/56/88/573505688.db2.gz SILMOEPJQMKUAH-UHFFFAOYSA-N 0 0 192.287 2.290 10 30 AEEERN N#Cc1ccc(N[C@@H]2CC[C@H]3C[C@H]32)nc1 308867966 573505650 /nfs/dbraw/zinc/50/56/50/573505650.db2.gz HHHZVXZSLCEWSI-HBNTYKKESA-N 0 0 199.257 2.164 10 30 AEEERN CC[C@@H](C#N)c1nccs1 259479658 573505675 /nfs/dbraw/zinc/50/56/75/573505675.db2.gz MNIKOVUWRQRGIP-LURJTMIESA-N 0 0 152.222 2.160 10 30 AEEERN Oc1cccc(C2(CS)CC2)c1 259613432 573505721 /nfs/dbraw/zinc/50/57/21/573505721.db2.gz DTBNVZCYGBGCTL-UHFFFAOYSA-N 0 0 180.272 2.354 10 30 AEEERN C=C(C)[C@@H](Nc1ccccc1)[C@H](C)O 238419575 573505728 /nfs/dbraw/zinc/50/57/28/573505728.db2.gz BBQTWEOVWBGFTG-CMPLNLGQSA-N 0 0 191.274 2.424 10 30 AEEERN C#CCCCOC(=O)C=C1CCC1 308400445 573505810 /nfs/dbraw/zinc/50/58/10/573505810.db2.gz HYHZEHTXEOVMLH-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN CCCC(C)(C)CNC(=O)CCC#N 258717574 573505817 /nfs/dbraw/zinc/50/58/17/573505817.db2.gz PEXYKIYRSRIZMJ-UHFFFAOYSA-N 0 0 196.294 2.233 10 30 AEEERN COc1cc2cnc(C#N)cc2cc1C 259613359 573505868 /nfs/dbraw/zinc/50/58/68/573505868.db2.gz GVUHJMYKNUKXGT-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN Cc1ccccc1[C@@H](CO)CS 258049495 573505881 /nfs/dbraw/zinc/50/58/81/573505881.db2.gz HNGZDHLAHPFADM-VIFPVBQESA-N 0 0 182.288 2.001 10 30 AEEERN N#CC(=O)Nc1cccc2ccccc12 258715009 573507158 /nfs/dbraw/zinc/50/71/58/573507158.db2.gz OZBQFAIEWMOTAM-UHFFFAOYSA-N 0 0 196.209 2.302 10 30 AEEERN N#Cc1ccc(Nc2cc[nH]c2)c(N)c1 258714310 573507410 /nfs/dbraw/zinc/50/74/10/573507410.db2.gz FQSHSWMDAGDWKH-UHFFFAOYSA-N 0 0 198.229 2.212 10 30 AEEERN CC[C@H]1CCC[C@](N)(C#N)CC1 83436049 573507505 /nfs/dbraw/zinc/50/75/05/573507505.db2.gz LTSRODOKEVOSSK-VHSXEESVSA-N 0 0 166.268 2.198 10 30 AEEERN CC[C@H](C#N)c1nccs1 259479660 573507540 /nfs/dbraw/zinc/50/75/40/573507540.db2.gz MNIKOVUWRQRGIP-ZCFIWIBFSA-N 0 0 152.222 2.160 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@@H](CC)OCC 714961155 573507581 /nfs/dbraw/zinc/50/75/81/573507581.db2.gz RQXJXHQVZRFENQ-AXFHLTTASA-N 0 0 186.295 2.375 10 30 AEEERN C=C(C)C(C(=C)C)[C@@H](C)O 238420101 573507617 /nfs/dbraw/zinc/50/76/17/573507617.db2.gz HGXUQLOYPWJVCU-MRVPVSSYSA-N 0 0 140.226 2.136 10 30 AEEERN CC(=O)C(=O)Cc1ccccc1C 258715732 573507654 /nfs/dbraw/zinc/50/76/54/573507654.db2.gz ZEZGWEBBFNKEFC-XFFZJAGNSA-N 0 0 176.215 2.483 10 30 AEEERN CO[C@@]12C=CC(=O)C(C)=C1CCC2 238418909 573507724 /nfs/dbraw/zinc/50/77/24/573507724.db2.gz KZSDPGKNAFAKHG-NSHDSACASA-N 0 0 178.231 2.011 10 30 AEEERN CN[C@H](CC#N)c1cc(F)ccc1F 259110819 573509670 /nfs/dbraw/zinc/50/96/70/573509670.db2.gz AUHQOYSOULPNQS-SNVBAGLBSA-N 0 0 196.200 2.139 10 30 AEEERN C=C1CC[C@@]2(C)C=CC(=O)[C@@H]12 238420205 573510016 /nfs/dbraw/zinc/51/00/16/573510016.db2.gz FHIDQGUNZBDNEL-ZJUUUORDSA-N 0 0 148.205 2.098 10 30 AEEERN CC1(C)C[C@@H]1c1ccc(C#N)c(=O)[nH]1 307158979 573510979 /nfs/dbraw/zinc/51/09/79/573510979.db2.gz BYWYPTIKGNOPLL-MRVPVSSYSA-N 0 0 188.230 2.172 10 30 AEEERN CCCC1CCN(CCC#N)CC1 50893741 573509551 /nfs/dbraw/zinc/50/95/51/573509551.db2.gz NFIFUXJQLLBNMF-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN N#Cc1occc1-c1ccncc1 259482258 573509628 /nfs/dbraw/zinc/50/96/28/573509628.db2.gz RKXXHRQHAIWGBV-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN C[C@@H](O)C(C)(C)C#C[Si](C)(C)C 238420259 573509710 /nfs/dbraw/zinc/50/97/10/573509710.db2.gz RPPAYHWDYLCYJR-SECBINFHSA-N 0 0 184.355 2.274 10 30 AEEERN Cc1ccc2c(c1)O[C@H](C#N)[C@H](C)O2 238431433 573509826 /nfs/dbraw/zinc/50/98/26/573509826.db2.gz NOJGJNRVMAFHDM-GZMMTYOYSA-N 0 0 189.214 2.047 10 30 AEEERN Cc1ccc2c(c1)O[C@@H](C#N)[C@H](C)O2 238431448 573509995 /nfs/dbraw/zinc/50/99/95/573509995.db2.gz NOJGJNRVMAFHDM-KWQFWETISA-N 0 0 189.214 2.047 10 30 AEEERN C=C/C=C/[C@@H](C)CCC=O 238421373 573510078 /nfs/dbraw/zinc/51/00/78/573510078.db2.gz WSTUQHAAFXIDEH-OTQAPUNGSA-N 0 0 138.210 2.344 10 30 AEEERN CCN[C@]1(C#N)CCC[C@@H](SC)C1 86604377 573510210 /nfs/dbraw/zinc/51/02/10/573510210.db2.gz ITZNGQZBRVYSRP-NXEZZACHSA-N 0 0 198.335 2.164 10 30 AEEERN C=C1CC[C@@]2(C)C=CC(=O)[C@H]12 238420275 573510258 /nfs/dbraw/zinc/51/02/58/573510258.db2.gz FHIDQGUNZBDNEL-UWVGGRQHSA-N 0 0 148.205 2.098 10 30 AEEERN Cc1cc(C)c(CNCC#N)c(C)c1 258725337 573510398 /nfs/dbraw/zinc/51/03/98/573510398.db2.gz GOUIMVFLZZVCTJ-UHFFFAOYSA-N 0 0 188.274 2.225 10 30 AEEERN C[C@H]1C=C[C@H](C=O)C(C)(C)C1 238421284 573510482 /nfs/dbraw/zinc/51/04/82/573510482.db2.gz VZONJEIGZPPPMR-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN N#Cc1cc(O)cc2cc(N)sc12 307153118 573510489 /nfs/dbraw/zinc/51/04/89/573510489.db2.gz BPSVEPLWMIUPHX-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC1(C)C[C@H]1c1ccc(C#N)c(=O)[nH]1 307158980 573510544 /nfs/dbraw/zinc/51/05/44/573510544.db2.gz BYWYPTIKGNOPLL-QMMMGPOBSA-N 0 0 188.230 2.172 10 30 AEEERN CCC(CC)[C@H](C)C(=O)OCC#N 308396510 573510552 /nfs/dbraw/zinc/51/05/52/573510552.db2.gz DMAKDCRRPQPLDV-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN CN[C@@H](CC#N)c1cc(F)ccc1F 259110815 573510556 /nfs/dbraw/zinc/51/05/56/573510556.db2.gz AUHQOYSOULPNQS-JTQLQIEISA-N 0 0 196.200 2.139 10 30 AEEERN CC(C)CC(C)(C)CNCC#N 258721570 573510632 /nfs/dbraw/zinc/51/06/32/573510632.db2.gz DKZHWVSRJGKCKX-UHFFFAOYSA-N 0 0 168.284 2.172 10 30 AEEERN C[C@H](S)COc1ccccc1 78520882 573510689 /nfs/dbraw/zinc/51/06/89/573510689.db2.gz DPZSWDILNJZUKZ-QMMMGPOBSA-N 0 0 168.261 2.384 10 30 AEEERN C[C@@H](O)C(C)(C)/N=C/c1ccccc1 238420218 573510794 /nfs/dbraw/zinc/51/07/94/573510794.db2.gz GOINUDJKVLMOOS-QQMDNXKGSA-N 0 0 191.274 2.265 10 30 AEEERN CCC[C@@H](O)Cc1ccc(C#N)cc1 238256304 573510815 /nfs/dbraw/zinc/51/08/15/573510815.db2.gz PFDGLFNZHOZQIC-GFCCVEGCSA-N 0 0 189.258 2.262 10 30 AEEERN N#CCC1(CCc2cnco2)CC1 259480700 573510868 /nfs/dbraw/zinc/51/08/68/573510868.db2.gz AFSJDKUMEZZRRU-UHFFFAOYSA-N 0 0 176.219 2.301 10 30 AEEERN CCC(CC)[C@@H](C)C(=O)OCC#N 308396509 573511077 /nfs/dbraw/zinc/51/10/77/573511077.db2.gz DMAKDCRRPQPLDV-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN N#C[C@@H]1CCSc2scnc21 259482976 573511347 /nfs/dbraw/zinc/51/13/47/573511347.db2.gz CDNWDPHCYYXGJV-YFKPBYRVSA-N 0 0 182.273 2.246 10 30 AEEERN N#CCc1cc(C2CCCC2)n[nH]1 259480701 573511564 /nfs/dbraw/zinc/51/15/64/573511564.db2.gz AFTHGVWBKFWWIU-UHFFFAOYSA-N 0 0 175.235 2.133 10 30 AEEERN C[C@@H]1O[C@H]1CC(=O)c1ccccc1 238423115 573511688 /nfs/dbraw/zinc/51/16/88/573511688.db2.gz SABVJEYHPMORBY-KWQFWETISA-N 0 0 176.215 2.047 10 30 AEEERN Fc1ccccc1NCCS 258724155 573511700 /nfs/dbraw/zinc/51/17/00/573511700.db2.gz UMVUSXRVZLFQSR-UHFFFAOYSA-N 0 0 171.240 2.167 10 30 AEEERN COc1nccc(C(F)F)c1CC#N 238423390 573512348 /nfs/dbraw/zinc/51/23/48/573512348.db2.gz LGGAAAKVLOBGOY-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN CC1=CC[C@H](C=O)C[C@H]1C 238422814 573512356 /nfs/dbraw/zinc/51/23/56/573512356.db2.gz QNNZDYRJSUMMJS-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN N#C[C@@H]1CC(=O)c2sccc2C1 259482383 573513160 /nfs/dbraw/zinc/51/31/60/573513160.db2.gz ALLPPNKZCVSZSY-LURJTMIESA-N 0 0 177.228 2.017 10 30 AEEERN C=CCC[C@@]1(O)CC[C@@H](CO)C1(C)C 308610119 573512709 /nfs/dbraw/zinc/51/27/09/573512709.db2.gz XYLDNUDKILBVIH-CMPLNLGQSA-N 0 0 198.306 2.112 10 30 AEEERN C#CCOC(=O)CC1=CCCCC1 308397316 573512826 /nfs/dbraw/zinc/51/28/26/573512826.db2.gz FSLXDHLINOYSJN-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN Cc1ccccc1[C@]1(C)C[C@H]1C=O 257824012 573512878 /nfs/dbraw/zinc/51/28/78/573512878.db2.gz GOYIILJJWXKZAF-CMPLNLGQSA-N 0 0 174.243 2.472 10 30 AEEERN N#C[C@H]1CCSc2scnc21 259482974 573512904 /nfs/dbraw/zinc/51/29/04/573512904.db2.gz CDNWDPHCYYXGJV-RXMQYKEDSA-N 0 0 182.273 2.246 10 30 AEEERN C=CC/C(C)=C\C[C@@H](C)O 238422311 573512932 /nfs/dbraw/zinc/51/29/32/573512932.db2.gz CKETZGPSLDSFMH-JGAIRUGNSA-N 0 0 140.226 2.280 10 30 AEEERN C=CCOC(=O)c1c(C)nsc1C 308396668 573512964 /nfs/dbraw/zinc/51/29/64/573512964.db2.gz FFPPCTUMTVXGRS-UHFFFAOYSA-N 0 0 197.259 2.103 10 30 AEEERN CC(C)(CNCC#N)C1CCCC1 258718363 573512982 /nfs/dbraw/zinc/51/29/82/573512982.db2.gz DFGNESQMIFYMSZ-UHFFFAOYSA-N 0 0 180.295 2.316 10 30 AEEERN CCS[C@H]1CCC[C@](C#N)(NC)C1 86604286 573512984 /nfs/dbraw/zinc/51/29/84/573512984.db2.gz ADBRJBKDHHHGQA-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN C[C@@H](O)C/N=C/c1cccc(Cl)c1 238422858 573513031 /nfs/dbraw/zinc/51/30/31/573513031.db2.gz VCEARFKYHBKWLK-LQGZHCLWSA-N 0 0 197.665 2.140 10 30 AEEERN C[C@@H]1CCC[C@@H]2C(=O)C=C[C@@H]21 238422953 573513365 /nfs/dbraw/zinc/51/33/65/573513365.db2.gz KIRXTIGCWZLUJX-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1nc2cc([C@@H]3CO3)ccc2o1 259480558 573513415 /nfs/dbraw/zinc/51/34/15/573513415.db2.gz YFZCGBBLTWDACJ-JTQLQIEISA-N 0 0 175.187 2.208 10 30 AEEERN C[C@@H]1CCC[C@H]2CC(=O)C(=O)C21 238422291 573513562 /nfs/dbraw/zinc/51/35/62/573513562.db2.gz RYSPMUBMELAVRD-RQJHMYQMSA-N 0 0 166.220 2.208 10 30 AEEERN C=CCC[C@]1(O)CC[C@@H](CO)C1(C)C 308610124 573513663 /nfs/dbraw/zinc/51/36/63/573513663.db2.gz XYLDNUDKILBVIH-JQWIXIFHSA-N 0 0 198.306 2.112 10 30 AEEERN CCO[C@@H](CC=O)[C@H]1CC=CCC1 238256310 573513721 /nfs/dbraw/zinc/51/37/21/573513721.db2.gz XZLCJVYUYVZUDD-QWRGUYRKSA-N 0 0 182.263 2.337 10 30 AEEERN CCCCCCC#C[C@H](O)[C@@H]1O[C@@H]1C 308603046 573517693 /nfs/dbraw/zinc/51/76/93/573517693.db2.gz VOEGROQMZJQCTB-GRYCIOLGSA-N 0 0 196.290 2.108 10 30 AEEERN CCCCCCC#C[C@H](O)[C@H]1O[C@@H]1C 308603049 573515810 /nfs/dbraw/zinc/51/58/10/573515810.db2.gz VOEGROQMZJQCTB-WOPDTQHZSA-N 0 0 196.290 2.108 10 30 AEEERN C=CC[C@H](C)[C@@H](O)C1(OC)CCC1 714959630 573516885 /nfs/dbraw/zinc/51/68/85/573516885.db2.gz FLKWSZDHFXWNFO-VHSXEESVSA-N 0 0 184.279 2.129 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@@H](SC)C1 86604378 573514974 /nfs/dbraw/zinc/51/49/74/573514974.db2.gz ITZNGQZBRVYSRP-ZJUUUORDSA-N 0 0 198.335 2.164 10 30 AEEERN CC(C)(C#N)NCC1CCCCC1 258728307 573515075 /nfs/dbraw/zinc/51/50/75/573515075.db2.gz GSLSXJRAZGCGNE-UHFFFAOYSA-N 0 0 180.295 2.458 10 30 AEEERN CCS[C@@H]1CCC[C@@](C#N)(NC)C1 86604283 573515190 /nfs/dbraw/zinc/51/51/90/573515190.db2.gz ADBRJBKDHHHGQA-NXEZZACHSA-N 0 0 198.335 2.164 10 30 AEEERN CC[C@H](C#N)CNCc1ccccc1 258728255 573515318 /nfs/dbraw/zinc/51/53/18/573515318.db2.gz UYNUEMCDSYKMEL-LLVKDONJSA-N 0 0 188.274 2.326 10 30 AEEERN CSc1ccc(NC=[NH2+])cc1 238422366 573515446 /nfs/dbraw/zinc/51/54/46/573515446.db2.gz QEEUTYUHKVFZDY-UHFFFAOYSA-N 0 0 166.249 2.027 10 30 AEEERN CCc1cccc([C@H](F)C=O)c1OC 257823130 573515497 /nfs/dbraw/zinc/51/54/97/573515497.db2.gz GMOUUDFSBRZPKU-SNVBAGLBSA-N 0 0 196.221 2.467 10 30 AEEERN CO[C@@](C)(C=O)Cc1ccc(C)cc1 257823082 573518230 /nfs/dbraw/zinc/51/82/30/573518230.db2.gz GLERKCQEWXECOZ-GFCCVEGCSA-N 0 0 192.258 2.142 10 30 AEEERN C[C@H]1C=CC(C)(C)[C@H](C=O)C1 238422740 573515858 /nfs/dbraw/zinc/51/58/58/573515858.db2.gz OYQOVFPMKMUIOE-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN CO[C@](C)(C=O)Cc1ccc(C)cc1 257823084 573515859 /nfs/dbraw/zinc/51/58/59/573515859.db2.gz GLERKCQEWXECOZ-LBPRGKRZSA-N 0 0 192.258 2.142 10 30 AEEERN C[C@H](CC#N)NC/C=C/c1ccco1 308604593 573516020 /nfs/dbraw/zinc/51/60/20/573516020.db2.gz BLEGREWPEQIJPF-XCRNYIDWSA-N 0 0 190.246 2.185 10 30 AEEERN C[C@@H](O)C/C=C/C#Cc1ccccc1 238422395 573516159 /nfs/dbraw/zinc/51/61/59/573516159.db2.gz HABAVOCZCYFUIY-FXMSTWTQSA-N 0 0 186.254 2.365 10 30 AEEERN C[C@@H]1CCC[C@@H]2C(=O)C=C(O)[C@@H]21 238422925 573516329 /nfs/dbraw/zinc/51/63/29/573516329.db2.gz RIOOZRTUULJREV-BRDIYROLSA-N 0 0 166.220 2.063 10 30 AEEERN CCc1cccc([C@@H](F)C=O)c1OC 257823129 573516479 /nfs/dbraw/zinc/51/64/79/573516479.db2.gz GMOUUDFSBRZPKU-JTQLQIEISA-N 0 0 196.221 2.467 10 30 AEEERN C[C@H](C#N)Oc1cccnc1Cl 83454969 573516540 /nfs/dbraw/zinc/51/65/40/573516540.db2.gz RRESKFQXSTXQMM-ZCFIWIBFSA-N 0 0 182.610 2.026 10 30 AEEERN N#C[C@@H](c1nccs1)C1CC1 259485022 573516678 /nfs/dbraw/zinc/51/66/78/573516678.db2.gz ASQFUDZCDPHFEH-SSDOTTSWSA-N 0 0 164.233 2.160 10 30 AEEERN CC[C@H](C#N)Oc1cccnc1Cl 83455031 573516855 /nfs/dbraw/zinc/51/68/55/573516855.db2.gz KHPJBEQWPUEWJG-SSDOTTSWSA-N 0 0 196.637 2.416 10 30 AEEERN CN[C@H](S)c1ccc(F)c(C)c1 259483578 573516917 /nfs/dbraw/zinc/51/69/17/573516917.db2.gz QVIRLHWJHBVFSO-SECBINFHSA-N 0 0 185.267 2.282 10 30 AEEERN N#CCCOC(=O)CC1CCCC1 308400837 573517038 /nfs/dbraw/zinc/51/70/38/573517038.db2.gz IGTPHZQQBILNPF-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN C[C@H](CC#N)NC/C=C\c1ccco1 308604579 573517044 /nfs/dbraw/zinc/51/70/44/573517044.db2.gz BLEGREWPEQIJPF-WUWIAWFRSA-N 0 0 190.246 2.185 10 30 AEEERN C[C@@H](CC#N)NC/C=C/c1ccco1 308604604 573517086 /nfs/dbraw/zinc/51/70/86/573517086.db2.gz BLEGREWPEQIJPF-YWNRKNDBSA-N 0 0 190.246 2.185 10 30 AEEERN CC[C@H](C#N)n1cnc(C(C)C)c1 259613953 573517232 /nfs/dbraw/zinc/51/72/32/573517232.db2.gz HKMUILOCFZRNST-SECBINFHSA-N 0 0 177.251 2.481 10 30 AEEERN CCCC(C)N=Nc1cnccn1 308400641 573517292 /nfs/dbraw/zinc/51/72/92/573517292.db2.gz GVCAWKNQTFUVSL-UHFFFAOYSA-N 0 0 178.239 2.065 10 30 AEEERN Cc1cc(C[C@@H](C)C=O)cs1 83453423 573517313 /nfs/dbraw/zinc/51/73/13/573517313.db2.gz HNFVVFOSBFMAGO-SSDOTTSWSA-N 0 0 168.261 2.434 10 30 AEEERN C[C@@]12CCC=CC1=CC(=O)C2 238424405 573517357 /nfs/dbraw/zinc/51/73/57/573517357.db2.gz RNRXOKREJYSPRG-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)C1(OC)CCC1 714959624 573517392 /nfs/dbraw/zinc/51/73/92/573517392.db2.gz FLKWSZDHFXWNFO-NXEZZACHSA-N 0 0 184.279 2.129 10 30 AEEERN C[C@@H](C#N)Oc1cccnc1Cl 83454967 573517415 /nfs/dbraw/zinc/51/74/15/573517415.db2.gz RRESKFQXSTXQMM-LURJTMIESA-N 0 0 182.610 2.026 10 30 AEEERN CCOc1ccccc1NCS 258733797 573517458 /nfs/dbraw/zinc/51/74/58/573517458.db2.gz VJOXQYQHOCTXLY-UHFFFAOYSA-N 0 0 183.276 2.385 10 30 AEEERN C=C1CCCC[C@@H]1[C@H](C)O 238423793 573517549 /nfs/dbraw/zinc/51/75/49/573517549.db2.gz RJOPXELEVHNEGN-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN Cc1cccc(S[C@H](C)C=O)n1 238424439 573517572 /nfs/dbraw/zinc/51/75/72/573517572.db2.gz NVPRMNQTJJJCGB-MRVPVSSYSA-N 0 0 181.260 2.070 10 30 AEEERN Cc1cc(C)c2c(c1)[C@@H](C#N)NCC2 259484527 573517594 /nfs/dbraw/zinc/51/75/94/573517594.db2.gz CFROGFMADBUQIO-GFCCVEGCSA-N 0 0 186.258 2.014 10 30 AEEERN CCCCOc1ccnc(C#N)c1 61815406 573517623 /nfs/dbraw/zinc/51/76/23/573517623.db2.gz STCCDUWWHMIWDY-UHFFFAOYSA-N 0 0 176.219 2.132 10 30 AEEERN CCCCCCC#C[C@H](O)[C@H]1O[C@H]1C 308603048 573518289 /nfs/dbraw/zinc/51/82/89/573518289.db2.gz VOEGROQMZJQCTB-SRVKXCTJSA-N 0 0 196.290 2.108 10 30 AEEERN N#CCC1(Cc2ccccn2)CC1 259485085 573517815 /nfs/dbraw/zinc/51/78/15/573517815.db2.gz ATPKOFKPTOVGQB-UHFFFAOYSA-N 0 0 172.231 2.318 10 30 AEEERN CC1=C([C@@H](C)O)C(=O)CC(C)(C)C1 238423670 573517848 /nfs/dbraw/zinc/51/78/48/573517848.db2.gz FDAVXANUMCLTQI-MRVPVSSYSA-N 0 0 182.263 2.073 10 30 AEEERN CCc1[nH]c2cnccc2c1CC#N 259484537 573517906 /nfs/dbraw/zinc/51/79/06/573517906.db2.gz CGIPJBXSDAYIBZ-UHFFFAOYSA-N 0 0 185.230 2.191 10 30 AEEERN COc1nccc(CC#N)c1C(F)F 238424772 573517911 /nfs/dbraw/zinc/51/79/11/573517911.db2.gz XWMIVAAMUXPFGD-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C[C@@H](C#N)N(C)c1cccs1 258739526 573517954 /nfs/dbraw/zinc/51/79/54/573517954.db2.gz HSTSXMXOIILMHY-ZETCQYMHSA-N 0 0 166.249 2.096 10 30 AEEERN Cc1cc(CCC=O)cs1 83453389 573517976 /nfs/dbraw/zinc/51/79/76/573517976.db2.gz BYRKIEXKRUCYLY-UHFFFAOYSA-N 0 0 154.234 2.188 10 30 AEEERN C[C@H](O)CC#CCCc1ccccc1 238423923 573518050 /nfs/dbraw/zinc/51/80/50/573518050.db2.gz IOUFWHWDKBSXQI-LBPRGKRZSA-N 0 0 188.270 2.394 10 30 AEEERN N#C[C@H](c1nccs1)C1CC1 259485026 573518175 /nfs/dbraw/zinc/51/81/75/573518175.db2.gz ASQFUDZCDPHFEH-ZETCQYMHSA-N 0 0 164.233 2.160 10 30 AEEERN CC[C@@H](C#N)Oc1cccnc1Cl 83455030 573518467 /nfs/dbraw/zinc/51/84/67/573518467.db2.gz KHPJBEQWPUEWJG-ZETCQYMHSA-N 0 0 196.637 2.416 10 30 AEEERN C[C@@H](CC#N)NC/C=C\c1ccco1 308604564 573518514 /nfs/dbraw/zinc/51/85/14/573518514.db2.gz BLEGREWPEQIJPF-GQPNGRKGSA-N 0 0 190.246 2.185 10 30 AEEERN C[C@H](O)CC#CC1=CCCCC1 238423757 573518528 /nfs/dbraw/zinc/51/85/28/573518528.db2.gz SIPTYNYETFPIIX-JTQLQIEISA-N 0 0 164.248 2.261 10 30 AEEERN CN[C@@H](S)c1ccc(F)c(C)c1 259483580 573518566 /nfs/dbraw/zinc/51/85/66/573518566.db2.gz QVIRLHWJHBVFSO-VIFPVBQESA-N 0 0 185.267 2.282 10 30 AEEERN C[C@H](C#N)N(C)c1cccs1 258739524 573518598 /nfs/dbraw/zinc/51/85/98/573518598.db2.gz HSTSXMXOIILMHY-SSDOTTSWSA-N 0 0 166.249 2.096 10 30 AEEERN CCCc1nc(C(C)(C)C#N)[nH]c1C 258736000 573518624 /nfs/dbraw/zinc/51/86/24/573518624.db2.gz PVNRCBGZUGPOBL-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN CC[C@@H](C#N)n1cnc(C(C)C)c1 259613954 573520460 /nfs/dbraw/zinc/52/04/60/573520460.db2.gz HKMUILOCFZRNST-VIFPVBQESA-N 0 0 177.251 2.481 10 30 AEEERN CC(C)C(C)(C)CNC(=O)CCC#N 258738672 573519931 /nfs/dbraw/zinc/51/99/31/573519931.db2.gz RZDZPXGRZCJCOY-UHFFFAOYSA-N 0 0 196.294 2.089 10 30 AEEERN Cc1c(N)ccc2oc(C#N)cc12 259486325 573519949 /nfs/dbraw/zinc/51/99/49/573519949.db2.gz RYFCLXSMPJOTNQ-UHFFFAOYSA-N 0 0 172.187 2.195 10 30 AEEERN Cc1ncc(CCCC#N)s1 259485001 573520012 /nfs/dbraw/zinc/52/00/12/573520012.db2.gz ASJODVAUIRPIBQ-UHFFFAOYSA-N 0 0 166.249 2.298 10 30 AEEERN Cc1cccc([C@@H]2O[C@H]2C)c1O 238423772 573520082 /nfs/dbraw/zinc/52/00/82/573520082.db2.gz OSPQDAJDCJQFFI-OIBJUYFYSA-N 0 0 164.204 2.160 10 30 AEEERN CCCCCCC#C[C@H](O)[C@@H]1O[C@H]1C 308603047 573520224 /nfs/dbraw/zinc/52/02/24/573520224.db2.gz VOEGROQMZJQCTB-SDDRHHMPSA-N 0 0 196.290 2.108 10 30 AEEERN CN(CCC1CCC1)C(C)(C)C#N 258733772 573520324 /nfs/dbraw/zinc/52/03/24/573520324.db2.gz HHLDHTMXOKOBRI-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C=CC[C@H](C)[C@H](O)C1(OC)CCC1 714959627 573520490 /nfs/dbraw/zinc/52/04/90/573520490.db2.gz FLKWSZDHFXWNFO-UWVGGRQHSA-N 0 0 184.279 2.129 10 30 AEEERN CC(C)Oc1ccccc1NCC=O 258732325 573520560 /nfs/dbraw/zinc/52/05/60/573520560.db2.gz VGJQMPDRVSAWSE-UHFFFAOYSA-N 0 0 193.246 2.085 10 30 AEEERN CC(C)(C)C(C)(C)CNCC#N 258737628 573520736 /nfs/dbraw/zinc/52/07/36/573520736.db2.gz FOAYOFXMDUSOHE-UHFFFAOYSA-N 0 0 168.284 2.172 10 30 AEEERN C=CCN1Cc2cccc(NC)c2C1 259489613 573521358 /nfs/dbraw/zinc/52/13/58/573521358.db2.gz ZRBMWDUNYCPFPS-UHFFFAOYSA-N 0 0 188.274 2.230 10 30 AEEERN C=C(C)COC(=O)[C@@H](C)CC 33607305 573520857 /nfs/dbraw/zinc/52/08/57/573520857.db2.gz FSSVRXASHHVANB-QMMMGPOBSA-N 0 0 156.225 2.152 10 30 AEEERN C=C(C#Cc1ccccc1)C[C@H](C)O 238424355 573521055 /nfs/dbraw/zinc/52/10/55/573521055.db2.gz PYFLEHBMRSUGJF-LBPRGKRZSA-N 0 0 186.254 2.365 10 30 AEEERN N#Cc1cnc(NCC2CCC2)s1 258740832 573521157 /nfs/dbraw/zinc/52/11/57/573521157.db2.gz NSGCZIFTTBHDCW-UHFFFAOYSA-N 0 0 193.275 2.227 10 30 AEEERN C[C@H](O)CC(=O)C1=CC=CCC1(C)C 238424828 573521270 /nfs/dbraw/zinc/52/12/70/573521270.db2.gz CQSPQYINPUGVST-VIFPVBQESA-N 0 0 194.274 2.239 10 30 AEEERN C=CC(=C)[C@H](O)c1cccc(OC)c1 308612587 573521312 /nfs/dbraw/zinc/52/13/12/573521312.db2.gz YSTAOAQWTSZWKC-LBPRGKRZSA-N 0 0 190.242 2.471 10 30 AEEERN CC(C)C[N@@H+]1C[C@@H](C#N)CC1(C)C 259487221 573522220 /nfs/dbraw/zinc/52/22/20/573522220.db2.gz RVEBPJVZUDQRMI-SNVBAGLBSA-N 0 0 180.295 2.266 10 30 AEEERN C=C1C[C@]2(C)CCCC(=O)[C@H]12 238425614 573523385 /nfs/dbraw/zinc/52/33/85/573523385.db2.gz NCBHKVFLTCEQPS-UWVGGRQHSA-N 0 0 150.221 2.322 10 30 AEEERN CN(CC#N)Cc1c[nH]c2ccccc12 258752552 573523056 /nfs/dbraw/zinc/52/30/56/573523056.db2.gz ISGDSHYVMVVGPW-UHFFFAOYSA-N 0 0 199.257 2.123 10 30 AEEERN CC(C)CC(=O)C(C)(C)C#N 258742798 573523133 /nfs/dbraw/zinc/52/31/33/573523133.db2.gz PIJOWEUDOGDGGK-UHFFFAOYSA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)C[N@@H+]1C[C@H](C#N)CC1(C)C 259487220 573523142 /nfs/dbraw/zinc/52/31/42/573523142.db2.gz RVEBPJVZUDQRMI-JTQLQIEISA-N 0 0 180.295 2.266 10 30 AEEERN C=CCC(O)(CC=C)[C@H](O)CCCC 308606559 573523180 /nfs/dbraw/zinc/52/31/80/573523180.db2.gz WQGIHDIQZBOXTN-LLVKDONJSA-N 0 0 198.306 2.421 10 30 AEEERN N#Cc1ccsc1-c1cc[nH]n1 259614024 573526015 /nfs/dbraw/zinc/52/60/15/573526015.db2.gz HLKNHWBKDNHYJP-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN C=C[C@H](C[C@H](C)O)Oc1ccccc1 308614098 573524652 /nfs/dbraw/zinc/52/46/52/573524652.db2.gz ZJIFAYQYFHNZJF-WDEREUQCSA-N 0 0 192.258 2.391 10 30 AEEERN C[C@@H]1CC([Si](C)(C)C)=CC1=O 238425377 573524820 /nfs/dbraw/zinc/52/48/20/573524820.db2.gz NNSXANQPYVRXHM-SSDOTTSWSA-N 0 0 168.312 2.399 10 30 AEEERN C=CCc1cccc(N)c1OC 238425956 573524857 /nfs/dbraw/zinc/52/48/57/573524857.db2.gz XVQBSMKGJULFFH-UHFFFAOYSA-N 0 0 163.220 2.006 10 30 AEEERN Nc1cccc2c(N=CC=O)cccc12 308614297 573524905 /nfs/dbraw/zinc/52/49/05/573524905.db2.gz RYRAPUCPGKVNQB-UHFFFAOYSA-N 0 0 198.225 2.323 10 30 AEEERN CC(C)CN(C)c1ncc(C#N)s1 258743528 573525002 /nfs/dbraw/zinc/52/50/02/573525002.db2.gz NYRNIJQYJXJMHA-UHFFFAOYSA-N 0 0 195.291 2.107 10 30 AEEERN C=C[C@H](O)CCC(C=C)(C=C)CCO 308606719 573525026 /nfs/dbraw/zinc/52/50/26/573525026.db2.gz WTWBZKQMCSAWOA-NSHDSACASA-N 0 0 196.290 2.054 10 30 AEEERN C=C(C)COC(=O)[C@H](C)CC 33607302 573525028 /nfs/dbraw/zinc/52/50/28/573525028.db2.gz FSSVRXASHHVANB-MRVPVSSYSA-N 0 0 156.225 2.152 10 30 AEEERN COc1ccc(NCCCS)cc1 258746358 573525036 /nfs/dbraw/zinc/52/50/36/573525036.db2.gz WQWNAWKNISXGBG-UHFFFAOYSA-N 0 0 197.303 2.427 10 30 AEEERN C=CCCCC[C@H](COC)OC 33610946 573525234 /nfs/dbraw/zinc/52/52/34/573525234.db2.gz NAOGXLWCFLVHSB-SNVBAGLBSA-N 0 0 172.268 2.394 10 30 AEEERN CSC1(C#N)CCCC1 83484161 573526156 /nfs/dbraw/zinc/52/61/56/573526156.db2.gz PQIKBMHJNGJKNK-UHFFFAOYSA-N 0 0 141.239 2.186 10 30 AEEERN C=C[C@H](C[C@@H](C)O)Oc1ccccc1 308614095 573525488 /nfs/dbraw/zinc/52/54/88/573525488.db2.gz ZJIFAYQYFHNZJF-GHMZBOCLSA-N 0 0 192.258 2.391 10 30 AEEERN CC(C)[C@H](C#N)C1(C(C)C)COC1 258744191 573525544 /nfs/dbraw/zinc/52/55/44/573525544.db2.gz QOWUHTLNYXTDBI-JTQLQIEISA-N 0 0 181.279 2.455 10 30 AEEERN CC(C)[C@@H](C#N)C1(C(C)C)COC1 258744194 573525689 /nfs/dbraw/zinc/52/56/89/573525689.db2.gz QOWUHTLNYXTDBI-SNVBAGLBSA-N 0 0 181.279 2.455 10 30 AEEERN CN(CC#N)c1cc(Cl)ccc1F 258750104 573525724 /nfs/dbraw/zinc/52/57/24/573525724.db2.gz IMHKJNGSQXKUFW-UHFFFAOYSA-N 0 0 198.628 2.439 10 30 AEEERN CC(C)C[C@@H](C#N)CF 257826692 573525765 /nfs/dbraw/zinc/52/57/65/573525765.db2.gz HGHDLCYIGZTLAZ-SSDOTTSWSA-N 0 0 129.178 2.142 10 30 AEEERN CSc1nc2cc(C#N)ccc2[nH]1 306288817 573525794 /nfs/dbraw/zinc/52/57/94/573525794.db2.gz NMDNSZHSTVAUDD-UHFFFAOYSA-N 0 0 189.243 2.156 10 30 AEEERN C[C@@H](O)C1(C#Cc2ccccc2)CC1 238425093 573525844 /nfs/dbraw/zinc/52/58/44/573525844.db2.gz DITVPSAMPULSPH-LLVKDONJSA-N 0 0 186.254 2.199 10 30 AEEERN C=C1C[C@H]2C(=O)CCC[C@@]12C 238425760 573525912 /nfs/dbraw/zinc/52/59/12/573525912.db2.gz BZWBGKPTOHTERZ-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN Cn1ccc(CC2(C#N)CCCC2)n1 124567716 573525949 /nfs/dbraw/zinc/52/59/49/573525949.db2.gz HJPJSNUSDQHIMX-UHFFFAOYSA-N 0 0 189.262 2.047 10 30 AEEERN CSC1(C#N)CC2(CCOCC2)C1 83484158 573526352 /nfs/dbraw/zinc/52/63/52/573526352.db2.gz CHBGXCKWVQXBMX-UHFFFAOYSA-N 0 0 197.303 2.202 10 30 AEEERN CCSC1(C#N)CC(C)C1 83484372 573530357 /nfs/dbraw/zinc/53/03/57/573530357.db2.gz FFHWYEHZTRSWMJ-UHFFFAOYSA-N 0 0 155.266 2.432 10 30 AEEERN CC[C@@H](C)[N@@H+]1C[C@@H](C#N)CC1(C)C 259490383 573527390 /nfs/dbraw/zinc/52/73/90/573527390.db2.gz SBTCATXXBZQJRX-NXEZZACHSA-N 0 0 180.295 2.409 10 30 AEEERN N#CC1(c2nc3ncccc3o2)CCC1 259490645 573527586 /nfs/dbraw/zinc/52/75/86/573527586.db2.gz NFTBGHSAXWUYES-UHFFFAOYSA-N 0 0 199.213 2.168 10 30 AEEERN CC(C)(C#N)NCC1CCCC1 258747832 573527638 /nfs/dbraw/zinc/52/76/38/573527638.db2.gz ILDDIBDECGOMDW-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN O=CC/C=C\[C@H]1CCCS1 258051803 573527648 /nfs/dbraw/zinc/52/76/48/573527648.db2.gz DEOGACGATFTKCD-HEZXMNBVSA-N 0 0 156.250 2.027 10 30 AEEERN O=CC[C@@H]1CCc2cccc(O)c21 257827846 573527650 /nfs/dbraw/zinc/52/76/50/573527650.db2.gz HYVKQZGLRCECNB-VIFPVBQESA-N 0 0 176.215 2.011 10 30 AEEERN C[C@@H](C=O)[C@@H]1Cc2ccc(F)cc2C1 257828027 573527685 /nfs/dbraw/zinc/52/76/85/573527685.db2.gz IDUSXXIJPJTJSF-WCBMZHEXSA-N 0 0 192.233 2.376 10 30 AEEERN CC(C)(C)CCNC(C)(C)C#N 258755235 573531053 /nfs/dbraw/zinc/53/10/53/573531053.db2.gz JANJPOONOMKZOQ-UHFFFAOYSA-N 0 0 168.284 2.314 10 30 AEEERN C=C1C[C@]2(C)CCCC(=O)[C@@H]12 238426380 573527876 /nfs/dbraw/zinc/52/78/76/573527876.db2.gz NCBHKVFLTCEQPS-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN N#Cc1cccc(C2CSC2)c1 258058334 573527967 /nfs/dbraw/zinc/52/79/67/573527967.db2.gz SIOZAMGHNJBEOL-UHFFFAOYSA-N 0 0 175.256 2.389 10 30 AEEERN Cc1ccc([C@H](C)[C@H]2CO2)cc1 238426314 573528032 /nfs/dbraw/zinc/52/80/32/573528032.db2.gz ZSWMIVAYKBOVBO-GXSJLCMTSA-N 0 0 162.232 2.497 10 30 AEEERN C=C(C#Cc1ccccc1)C[C@@H](C)O 238426446 573528042 /nfs/dbraw/zinc/52/80/42/573528042.db2.gz PYFLEHBMRSUGJF-GFCCVEGCSA-N 0 0 186.254 2.365 10 30 AEEERN CCC1CC(C#N)(SC)C1 83484154 573528083 /nfs/dbraw/zinc/52/80/83/573528083.db2.gz CNBJJLICZRJRQR-UHFFFAOYSA-N 0 0 155.266 2.432 10 30 AEEERN O=CC[C@H]1CCc2cccc(O)c21 257827842 573528093 /nfs/dbraw/zinc/52/80/93/573528093.db2.gz HYVKQZGLRCECNB-SECBINFHSA-N 0 0 176.215 2.011 10 30 AEEERN C=CC(C)(C)CC[C@@H](C)O 238429499 573531318 /nfs/dbraw/zinc/53/13/18/573531318.db2.gz HFZVSLQXQUHWDT-MRVPVSSYSA-N 0 0 142.242 2.360 10 30 AEEERN C=C1C[C@@H]1[C@@H](C)[C@@H](C)C(C)=O 238426407 573528339 /nfs/dbraw/zinc/52/83/39/573528339.db2.gz ODWJCQRWCUBNPB-WEDXCCLWSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@@H]2C(=O)CCC[C@@]12C 238426470 573528379 /nfs/dbraw/zinc/52/83/79/573528379.db2.gz BZWBGKPTOHTERZ-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C#CCCCC(=O)[C@H](CC)OCC 131789456 573528484 /nfs/dbraw/zinc/52/84/84/573528484.db2.gz IJSCQWQFFRLMLP-NSHDSACASA-N 0 0 182.263 2.174 10 30 AEEERN CC(C)(C)C[C@H]1OC[C@H](CC#N)O1 258681924 573528677 /nfs/dbraw/zinc/52/86/77/573528677.db2.gz MVHKWRGYSQTUPM-IUCAKERBSA-N 0 0 183.251 2.078 10 30 AEEERN CC#CCCC(=O)[C@H](CC)OCC 131754520 573528776 /nfs/dbraw/zinc/52/87/76/573528776.db2.gz PULZZGZXXDINCU-NSHDSACASA-N 0 0 182.263 2.174 10 30 AEEERN CC[C@H](C)[N@@H+]1C[C@H](C#N)CC1(C)C 259490384 573528820 /nfs/dbraw/zinc/52/88/20/573528820.db2.gz SBTCATXXBZQJRX-UWVGGRQHSA-N 0 0 180.295 2.409 10 30 AEEERN Cc1[nH]c(CCC#N)nc1CC(C)C 258758310 573528829 /nfs/dbraw/zinc/52/88/29/573528829.db2.gz RWPSQGDGSZLGDY-UHFFFAOYSA-N 0 0 191.278 2.373 10 30 AEEERN C[C@@H](O)[C@@H](C#N)c1cccc(Cl)c1 222007536 573528904 /nfs/dbraw/zinc/52/89/04/573528904.db2.gz JOBPIUACOJKCDJ-GMSGAONNSA-N 0 0 195.649 2.328 10 30 AEEERN CCCSC(C)(C)C#N 83486555 573528912 /nfs/dbraw/zinc/52/89/12/573528912.db2.gz ZANBGXMGNPOMQL-UHFFFAOYSA-N 0 0 143.255 2.432 10 30 AEEERN C[C@H](C=O)[C@H]1Cc2ccc(F)cc2C1 257828026 573528936 /nfs/dbraw/zinc/52/89/36/573528936.db2.gz IDUSXXIJPJTJSF-SCZZXKLOSA-N 0 0 192.233 2.376 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc2c(c1)ncn2C 259489963 573528983 /nfs/dbraw/zinc/52/89/83/573528983.db2.gz YXINGOZZMJWNSC-HQJQHLMTSA-N 0 0 188.230 2.033 10 30 AEEERN C=C(C)/C=C/C[C@H](C)C=O 238427663 573529144 /nfs/dbraw/zinc/52/91/44/573529144.db2.gz YTVLUTLSDSWQEE-MOVJSRMASA-N 0 0 138.210 2.344 10 30 AEEERN O=CC1C[C@H]2CCC[C@@H](C1)C2 211886593 573529148 /nfs/dbraw/zinc/52/91/48/573529148.db2.gz BSWBQZPUYMWTJJ-ULKQDVFKSA-N 0 0 152.237 2.402 10 30 AEEERN CCO[C@@H](CC)C(=O)C1=COCCC1 131757409 573529233 /nfs/dbraw/zinc/52/92/33/573529233.db2.gz WALBDGPGDFSRHP-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN COc1c(C)cccc1[C@](C)(F)C=O 257827652 573529241 /nfs/dbraw/zinc/52/92/41/573529241.db2.gz IAWYJTRAYYALBG-LLVKDONJSA-N 0 0 196.221 2.387 10 30 AEEERN CCc1cc(C#N)c(C)cc1O 258052313 573529393 /nfs/dbraw/zinc/52/93/93/573529393.db2.gz RNHDBZXEZPQZAR-UHFFFAOYSA-N 0 0 161.204 2.135 10 30 AEEERN CCSC1(C#N)CCC1 83484375 573529478 /nfs/dbraw/zinc/52/94/78/573529478.db2.gz JMCBFZDDCKRRGJ-UHFFFAOYSA-N 0 0 141.239 2.186 10 30 AEEERN C[C@@H](C=O)[C@H]1Cc2ccc(F)cc2C1 257828028 573529487 /nfs/dbraw/zinc/52/94/87/573529487.db2.gz IDUSXXIJPJTJSF-WPRPVWTQSA-N 0 0 192.233 2.376 10 30 AEEERN CC/C(C[C@H](C)CC)=N\CCO 33609445 573529489 /nfs/dbraw/zinc/52/94/89/573529489.db2.gz OSNSQCLFYFFSMC-HNLKAFMCSA-N 0 0 171.284 2.266 10 30 AEEERN CS[C@@H]1CC[C@@](C#N)(NC(C)C)C1 86624410 573530467 /nfs/dbraw/zinc/53/04/67/573530467.db2.gz FGHSKSONHOUOFA-NXEZZACHSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@@H](O)CCC#CC[Si](C)(C)C 238429097 573530311 /nfs/dbraw/zinc/53/03/11/573530311.db2.gz JUNCUPMHXLXYLR-SNVBAGLBSA-N 0 0 184.355 2.489 10 30 AEEERN C=C(C)[C@H](Nc1ccccc1)[C@@H](C)O 238429791 573530474 /nfs/dbraw/zinc/53/04/74/573530474.db2.gz BBQTWEOVWBGFTG-PWSUYJOCSA-N 0 0 191.274 2.424 10 30 AEEERN C[C@@H]1CC=CC2=CC(=O)CC[C@@H]21 238429110 573529605 /nfs/dbraw/zinc/52/96/05/573529605.db2.gz FQRRHPBGXYNBSL-LDYMZIIASA-N 0 0 162.232 2.488 10 30 AEEERN O=CCC1[C@H]2CCCCC[C@H]12 211887090 573529819 /nfs/dbraw/zinc/52/98/19/573529819.db2.gz DOOWNCAMIMBDRH-IUCAKERBSA-N 0 0 152.237 2.402 10 30 AEEERN N#Cc1cccc(NC(=O)S)c1 258756809 573529823 /nfs/dbraw/zinc/52/98/23/573529823.db2.gz ORIZIDCBJIWSSL-UHFFFAOYSA-N 0 0 178.216 2.020 10 30 AEEERN C=CCC(=O)[C@H](CCC)OCC 131807913 573529885 /nfs/dbraw/zinc/52/98/85/573529885.db2.gz RFIKCYZGQZEAMZ-JTQLQIEISA-N 0 0 170.252 2.337 10 30 AEEERN CC[C@@H](C)[N@@H+]1C[C@H](C#N)CC1(C)C 259490386 573529958 /nfs/dbraw/zinc/52/99/58/573529958.db2.gz SBTCATXXBZQJRX-ZJUUUORDSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@H]1O[C@H]1c1ccc2c(c1)ncn2C 259489964 573530001 /nfs/dbraw/zinc/53/00/01/573530001.db2.gz YXINGOZZMJWNSC-RDDDGLTNSA-N 0 0 188.230 2.033 10 30 AEEERN Cc1ccccc1NC[C@@H](C)C=O 238428990 573530020 /nfs/dbraw/zinc/53/00/20/573530020.db2.gz REOGWSHJONRBLU-SECBINFHSA-N 0 0 177.247 2.242 10 30 AEEERN C#CCCCC(=O)[C@@H](CC)OCC 131789680 573530047 /nfs/dbraw/zinc/53/00/47/573530047.db2.gz IJSCQWQFFRLMLP-LLVKDONJSA-N 0 0 182.263 2.174 10 30 AEEERN C[C@H](C#N)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 717644627 573530050 /nfs/dbraw/zinc/53/00/50/573530050.db2.gz FGBGDVJWZRLZML-XFWSIPNHSA-N 0 0 177.247 2.151 10 30 AEEERN O=CC/C=C\[C@@H]1CCCS1 258051806 573530207 /nfs/dbraw/zinc/53/02/07/573530207.db2.gz DEOGACGATFTKCD-IHDKTBNVSA-N 0 0 156.250 2.027 10 30 AEEERN COc1c(C)cccc1[C@@](C)(F)C=O 257827653 573530268 /nfs/dbraw/zinc/53/02/68/573530268.db2.gz IAWYJTRAYYALBG-NSHDSACASA-N 0 0 196.221 2.387 10 30 AEEERN CS[C@H]1CC[C@@](C#N)(NC(C)C)C1 86624404 573530763 /nfs/dbraw/zinc/53/07/63/573530763.db2.gz FGHSKSONHOUOFA-VHSXEESVSA-N 0 0 198.335 2.162 10 30 AEEERN CCCSC1(C#N)CC1 83486571 573530843 /nfs/dbraw/zinc/53/08/43/573530843.db2.gz UMOYYNBRICOAQV-UHFFFAOYSA-N 0 0 141.239 2.186 10 30 AEEERN N#CCOCc1cccc(Cl)c1 83473796 573531026 /nfs/dbraw/zinc/53/10/26/573531026.db2.gz RDRDVVDIOBKCTN-UHFFFAOYSA-N 0 0 181.622 2.380 10 30 AEEERN COc1ccc(C#N)cc1CF 258058097 573531082 /nfs/dbraw/zinc/53/10/82/573531082.db2.gz SDVJMBMXYDMXSC-UHFFFAOYSA-N 0 0 165.167 2.036 10 30 AEEERN CC(C)(C)C[C@@H]1OC[C@H](CC#N)O1 258681920 573531089 /nfs/dbraw/zinc/53/10/89/573531089.db2.gz MVHKWRGYSQTUPM-DTWKUNHWSA-N 0 0 183.251 2.078 10 30 AEEERN C=C(Br)CCC[C@@H](C)O 238430096 573531165 /nfs/dbraw/zinc/53/11/65/573531165.db2.gz HMNFKKRIKLLJHX-SSDOTTSWSA-N 0 0 193.084 2.446 10 30 AEEERN C[C@@H](C#CCCc1ccccc1)CO 238429474 573531774 /nfs/dbraw/zinc/53/17/74/573531774.db2.gz MZDFQWFRJZEUKM-LBPRGKRZSA-N 0 0 188.270 2.251 10 30 AEEERN C[C@@H](O)[C@H](C#N)c1cccc(Cl)c1 222007649 573531815 /nfs/dbraw/zinc/53/18/15/573531815.db2.gz JOBPIUACOJKCDJ-XCBNKYQSSA-N 0 0 195.649 2.328 10 30 AEEERN CCCN[C@@]1(C#N)CC[C@H](SC)C1 86624384 573531862 /nfs/dbraw/zinc/53/18/62/573531862.db2.gz ZDDHXPKMWQCNAE-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN CC(=O)C[C@@]1(C=O)CCCC[C@@H]1C 238429543 573533168 /nfs/dbraw/zinc/53/31/68/573533168.db2.gz VLKSWRBFJFNALM-GXSJLCMTSA-N 0 0 182.263 2.361 10 30 AEEERN N#Cc1occc1-c1ccccn1 259488392 573532830 /nfs/dbraw/zinc/53/28/30/573532830.db2.gz SELVPOTYWOZSLZ-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN CC(C)SC(C)(C)C#N 83488311 573532831 /nfs/dbraw/zinc/53/28/31/573532831.db2.gz HJAHJLFMTVQQTO-UHFFFAOYSA-N 0 0 143.255 2.430 10 30 AEEERN C[C@H](O)[C@@H](C#N)c1cccc(Cl)c1 222007479 573532864 /nfs/dbraw/zinc/53/28/64/573532864.db2.gz JOBPIUACOJKCDJ-OIBJUYFYSA-N 0 0 195.649 2.328 10 30 AEEERN Cc1cccc(C)c1-n1ccnc1C#N 259488357 573532904 /nfs/dbraw/zinc/53/29/04/573532904.db2.gz SDLDJIGKMGXGEM-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C[C@@H]1CC=CC2=CC(=O)CC[C@H]21 238429100 573532979 /nfs/dbraw/zinc/53/29/79/573532979.db2.gz FQRRHPBGXYNBSL-KCJUWKMLSA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H](C)c1noc(C2(C)CC2)n1 306503489 573533128 /nfs/dbraw/zinc/53/31/28/573533128.db2.gz HXTDBHKCWUYSTH-SSDOTTSWSA-N 0 0 178.235 2.411 10 30 AEEERN CC(C)(C)C[C@@H]1OC[C@@H](CC#N)O1 258681927 573533239 /nfs/dbraw/zinc/53/32/39/573533239.db2.gz MVHKWRGYSQTUPM-RKDXNWHRSA-N 0 0 183.251 2.078 10 30 AEEERN CC[C@H](C)SC1(C#N)CC(=O)C1 83498098 573533301 /nfs/dbraw/zinc/53/33/01/573533301.db2.gz OCRIOUCCZUXYIY-ZETCQYMHSA-N 0 0 183.276 2.143 10 30 AEEERN CC(C)SC1(C#N)CCOCC1 83488320 573533586 /nfs/dbraw/zinc/53/35/86/573533586.db2.gz KBWAZVJFNCETME-UHFFFAOYSA-N 0 0 185.292 2.201 10 30 AEEERN CC(=O)C(=O)Cc1cccs1 258501800 573533605 /nfs/dbraw/zinc/53/36/05/573533605.db2.gz DJCBEFHBHJISAI-YVMONPNESA-N 0 0 168.217 2.236 10 30 AEEERN CC(=O)c1ccc(NCCS)cc1 258755571 573533888 /nfs/dbraw/zinc/53/38/88/573533888.db2.gz XJJIWNFMFWGFNO-UHFFFAOYSA-N 0 0 195.287 2.231 10 30 AEEERN CC(C)CSC1(C#N)CCOCC1 83491229 573534130 /nfs/dbraw/zinc/53/41/30/573534130.db2.gz PPTJDUUZEZTDIR-UHFFFAOYSA-N 0 0 199.319 2.448 10 30 AEEERN N#Cc1ccccc1C1CSC1 258054536 573533947 /nfs/dbraw/zinc/53/39/47/573533947.db2.gz RWHFENLKEKCVEQ-UHFFFAOYSA-N 0 0 175.256 2.389 10 30 AEEERN CN[C@@H](CC#N)c1c[nH]c2ccccc12 259494917 573535287 /nfs/dbraw/zinc/53/52/87/573535287.db2.gz ROABRDPTOVAKFH-NSHDSACASA-N 0 0 199.257 2.342 10 30 AEEERN CN[C@@H](S)c1ccccc1C 259492355 573534077 /nfs/dbraw/zinc/53/40/77/573534077.db2.gz RKBOVFCOLYCSKD-VIFPVBQESA-N 0 0 167.277 2.143 10 30 AEEERN Cc1nn(C2CCC2)c(C)c1C#N 257828562 573534078 /nfs/dbraw/zinc/53/40/78/573534078.db2.gz IIXJYNWHSLZCMV-UHFFFAOYSA-N 0 0 175.235 2.097 10 30 AEEERN CCc1nc2ccccc2nc1C#N 39114459 573534359 /nfs/dbraw/zinc/53/43/59/573534359.db2.gz MGESSADJHPVMDE-UHFFFAOYSA-N 0 0 183.214 2.064 10 30 AEEERN CS[C@H]1CC[C@](C#N)(NC(C)C)C1 86624407 573534387 /nfs/dbraw/zinc/53/43/87/573534387.db2.gz FGHSKSONHOUOFA-UWVGGRQHSA-N 0 0 198.335 2.162 10 30 AEEERN CN(C)[C@H](CC#N)c1ccccc1F 259494129 573534428 /nfs/dbraw/zinc/53/44/28/573534428.db2.gz LIWQIOWTCALMNH-LLVKDONJSA-N 0 0 192.237 2.342 10 30 AEEERN CC(C)CSC1(C#N)CC1 83491235 573534540 /nfs/dbraw/zinc/53/45/40/573534540.db2.gz ZHDZYIRKYFUOCW-UHFFFAOYSA-N 0 0 155.266 2.432 10 30 AEEERN C#Cc1oc2ccccc2c1[C@H](C)O 238433777 573535345 /nfs/dbraw/zinc/53/53/45/573535345.db2.gz UQEIHBMUDYENDP-QMMMGPOBSA-N 0 0 186.210 2.467 10 30 AEEERN C[C@@H]1Cc2cccc(CC=O)c2S1 258054693 573534631 /nfs/dbraw/zinc/53/46/31/573534631.db2.gz LINZCLWPXAFFSW-MRVPVSSYSA-N 0 0 192.283 2.465 10 30 AEEERN CC(C)(C)C[C@H]1OC[C@@H](CC#N)O1 258681917 573534660 /nfs/dbraw/zinc/53/46/60/573534660.db2.gz MVHKWRGYSQTUPM-BDAKNGLRSA-N 0 0 183.251 2.078 10 30 AEEERN CC(C)(C#N)Nc1cccs1 258757992 573534692 /nfs/dbraw/zinc/53/46/92/573534692.db2.gz JKXJMWMNXMNKLG-UHFFFAOYSA-N 0 0 166.249 2.462 10 30 AEEERN C=CC[C@H](O)/C=C\[Si](C)(C)C 215323862 573534760 /nfs/dbraw/zinc/53/47/60/573534760.db2.gz CIVAEXOLSFNMOX-FUOZMLNRSA-N 0 0 170.328 2.357 10 30 AEEERN COc1cc(CCC=O)cc(C)c1F 258053746 573534842 /nfs/dbraw/zinc/53/48/42/573534842.db2.gz KWAOKEJPQMMSEF-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN C=CCC(=O)[C@@H](CCC)OCC 131808061 573534843 /nfs/dbraw/zinc/53/48/43/573534843.db2.gz RFIKCYZGQZEAMZ-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN CN[C@@]1(C#N)CC[C@@H](SC(C)C)C1 86624362 573534891 /nfs/dbraw/zinc/53/48/91/573534891.db2.gz BNHDNXOJOZRHGO-ZJUUUORDSA-N 0 0 198.335 2.162 10 30 AEEERN CCCCCN(C)C(C)(C)C#N 258757891 573534969 /nfs/dbraw/zinc/53/49/69/573534969.db2.gz JJLMZDSIONBMGQ-UHFFFAOYSA-N 0 0 168.284 2.411 10 30 AEEERN N#Cc1scnc1-c1cc[nH]c1 259104988 573535023 /nfs/dbraw/zinc/53/50/23/573535023.db2.gz FRQKVTJQBMVMIP-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN Cc1ccc(N)c2c1S[C@@H](C#N)C2 259493594 573535145 /nfs/dbraw/zinc/53/51/45/573535145.db2.gz SWBFUAOHPUUAFA-SSDOTTSWSA-N 0 0 190.271 2.118 10 30 AEEERN CC(C)SC1(C#N)CC1 83488327 573535908 /nfs/dbraw/zinc/53/59/08/573535908.db2.gz YXJRKNLLRKDNSY-UHFFFAOYSA-N 0 0 141.239 2.184 10 30 AEEERN CC(C)Cc1cc(CC#N)sn1 259493596 573535935 /nfs/dbraw/zinc/53/59/35/573535935.db2.gz SWBMDRSISVYQQC-UHFFFAOYSA-N 0 0 180.276 2.408 10 30 AEEERN COc1cccc([C@@H]2CC[C@H]2C=O)c1 257828470 573535948 /nfs/dbraw/zinc/53/59/48/573535948.db2.gz IIWUSZIHMGUPFW-JQWIXIFHSA-N 0 0 190.242 2.388 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H]([C@@H](C)O)C1 238434147 573535985 /nfs/dbraw/zinc/53/59/85/573535985.db2.gz MRDTUWIOQBDLOL-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN C=CCOC(=O)N(C(C)C)C(C)C 135757809 573535990 /nfs/dbraw/zinc/53/59/90/573535990.db2.gz DETMUFNBBFJUHL-UHFFFAOYSA-N 0 0 185.267 2.428 10 30 AEEERN CC#CCC(=O)[C@@H](CCC)OCC 131816900 573536054 /nfs/dbraw/zinc/53/60/54/573536054.db2.gz JBKSETKCJCOPKA-LLVKDONJSA-N 0 0 182.263 2.174 10 30 AEEERN N=NC(N=CC=O)c1ccccc1 393533300 573541454 /nfs/dbraw/zinc/54/14/54/573541454.db2.gz DNZHQEMZHAETFI-LYXCRXLVSA-N 0 0 175.191 2.493 10 30 AEEERN Cc1c(C#N)n[nH]c1-c1cccs1 259495222 573538350 /nfs/dbraw/zinc/53/83/50/573538350.db2.gz TUYOOVUBQOXYBW-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C[C@@]12CCCC[C@@H]1[C@@]2(Cl)C=O 238430518 573538361 /nfs/dbraw/zinc/53/83/61/573538361.db2.gz JNMQWVVVNRFDGJ-YIZRAAEISA-N 0 0 172.655 2.373 10 30 AEEERN Cc1ccc(N)c2c1S[C@H](C#N)C2 259493595 573538401 /nfs/dbraw/zinc/53/84/01/573538401.db2.gz SWBFUAOHPUUAFA-ZETCQYMHSA-N 0 0 190.271 2.118 10 30 AEEERN C[C@@H](F)[C@H](C=O)c1cccc(F)c1 257829491 573538440 /nfs/dbraw/zinc/53/84/40/573538440.db2.gz IXZMQAPCYMOGPD-XCBNKYQSSA-N 0 0 184.185 2.466 10 30 AEEERN C=C(C)C(=O)[C@H](CCC)OCC 131839055 573538627 /nfs/dbraw/zinc/53/86/27/573538627.db2.gz NKBMEMVKLOJIEJ-VIFPVBQESA-N 0 0 170.252 2.337 10 30 AEEERN Nc1ccccc1N=Cc1ccncc1 308615730 573538715 /nfs/dbraw/zinc/53/87/15/573538715.db2.gz XXTPYIPIBIBZAK-UHFFFAOYSA-N 0 0 197.241 2.414 10 30 AEEERN Cc1cc(C2CC2)[nH]c1CC#N 259495364 573538788 /nfs/dbraw/zinc/53/87/88/573538788.db2.gz AAYJIOLGDWPSCH-UHFFFAOYSA-N 0 0 160.220 2.267 10 30 AEEERN N#Cc1c([O-])sc2cc(N)ccc12 306645560 573538831 /nfs/dbraw/zinc/53/88/31/573538831.db2.gz FCXXISCTDLPQRA-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CCc1nc2c(C#N)cccc2o1 306642195 573538975 /nfs/dbraw/zinc/53/89/75/573538975.db2.gz RYTAVQQQGHQBNW-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C[C@H]1C(=O)CCC(C)(C)[C@@H]1C#N 238431392 573538980 /nfs/dbraw/zinc/53/89/80/573538980.db2.gz GMQUTXBXNRCEDH-HTQZYQBOSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H](C=O)c1ccc2c(c1)OCCC2 257829281 573538997 /nfs/dbraw/zinc/53/89/97/573538997.db2.gz ISAOVCQJJIZXKA-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN Cc1c(C)c2c(c(C)c1C#N)C[C@H]2O 135758966 573539178 /nfs/dbraw/zinc/53/91/78/573539178.db2.gz QJWATDPTAPRDBN-LLVKDONJSA-N 0 0 187.242 2.073 10 30 AEEERN C/C(C#Cc1ccc(C)cc1)=C\CO 308617357 573539244 /nfs/dbraw/zinc/53/92/44/573539244.db2.gz BIXJYIYOUXLWOX-FMIVXFBMSA-N 0 0 186.254 2.285 10 30 AEEERN CC1=C([C@H]2C[C@H]2C)CCC1=O 238434434 573539724 /nfs/dbraw/zinc/53/97/24/573539724.db2.gz DDLOOVDWEUJCAV-MUWHJKNJSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H]1C(=O)C[C@H](CC#N)C1(C)C 238434452 573540049 /nfs/dbraw/zinc/54/00/49/573540049.db2.gz AWEMCWLDQTVADF-YUMQZZPRSA-N 0 0 165.236 2.151 10 30 AEEERN CCn1nccc1C1=CC(=O)CCC1 83534751 573540215 /nfs/dbraw/zinc/54/02/15/573540215.db2.gz FDQXJCDZMVIHDV-UHFFFAOYSA-N 0 0 190.246 2.039 10 30 AEEERN C#C[C@@H]([NH2+]CC)c1ccc2c(c1)CCC2 130312605 573540303 /nfs/dbraw/zinc/54/03/03/573540303.db2.gz JRJUTUDRVDSQON-CQSZACIVSA-N 0 0 199.297 2.459 10 30 AEEERN C=C[C@H]1CC(COC)(COC)CC1=C 39112556 573540499 /nfs/dbraw/zinc/54/04/99/573540499.db2.gz LKKMYLPBLNSSDB-NSHDSACASA-N 0 0 196.290 2.418 10 30 AEEERN C=CCC1=CC(=O)CCC1 83534820 573540536 /nfs/dbraw/zinc/54/05/36/573540536.db2.gz UYYJCMIXBKMNEE-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC1=C/C(=C/CO)[C@@H](C(C)C)CC1=O 308618005 573540570 /nfs/dbraw/zinc/54/05/70/573540570.db2.gz BQZGPJUTXRRRRV-NEOSZVFXSA-N 0 0 194.274 2.096 10 30 AEEERN C=C[C@H]1CC(=O)[C@H](C)C1(C)C 238434441 573540616 /nfs/dbraw/zinc/54/06/16/573540616.db2.gz PWQIIXUBLKLIDF-YUMQZZPRSA-N 0 0 152.237 2.424 10 30 AEEERN CC1=C/C(=C/CO)[C@H](C(C)C)CC1=O 308618000 573540635 /nfs/dbraw/zinc/54/06/35/573540635.db2.gz BQZGPJUTXRRRRV-FGUAACIASA-N 0 0 194.274 2.096 10 30 AEEERN CCc1ccc(CCC#N)o1 259499146 573540644 /nfs/dbraw/zinc/54/06/44/573540644.db2.gz ULGMGNGVIHEMMI-UHFFFAOYSA-N 0 0 149.193 2.298 10 30 AEEERN C=C[C@@H]1C[C@@H]([C@@H](C)O)C1(C)C 238434775 573540664 /nfs/dbraw/zinc/54/06/64/573540664.db2.gz UZYSIKWEFUKRAZ-HLTSFMKQSA-N 0 0 154.253 2.216 10 30 AEEERN CC(C)c1ccccc1C/C(N)=N/O 107355239 573540704 /nfs/dbraw/zinc/54/07/04/573540704.db2.gz HYQZRJILTBVACE-UHFFFAOYSA-N 0 0 192.262 2.099 10 30 AEEERN CO[C@@H]1[C@H](C#N)[C@@H]1CC(C)(C)C 259501267 573540811 /nfs/dbraw/zinc/54/08/11/573540811.db2.gz AUEJTNRIJSZCMV-YIZRAAEISA-N 0 0 167.252 2.207 10 30 AEEERN C=C[C@@H]1CC(COC)(COC)CC1=C 39112557 573540892 /nfs/dbraw/zinc/54/08/92/573540892.db2.gz LKKMYLPBLNSSDB-LLVKDONJSA-N 0 0 196.290 2.418 10 30 AEEERN CO[C@H]1[C@@H](CC(C)(C)C)[C@@H]1C#N 259501261 573540860 /nfs/dbraw/zinc/54/08/60/573540860.db2.gz AUEJTNRIJSZCMV-CIUDSAMLSA-N 0 0 167.252 2.207 10 30 AEEERN C[C@@H]1CCC(=O)[C@@H]1CC(C)(C)C=O 238434779 573540928 /nfs/dbraw/zinc/54/09/28/573540928.db2.gz IPCLIZDLVSRSTB-RKDXNWHRSA-N 0 0 182.263 2.217 10 30 AEEERN C=C(CO)[C@H]1C=C[C@H](C)CC1 238434658 573540989 /nfs/dbraw/zinc/54/09/89/573540989.db2.gz QWULSQBHSZWPOT-WPRPVWTQSA-N 0 0 152.237 2.137 10 30 AEEERN CCCn1cc(N[C@H](C)CC#N)cn1 308618524 573541313 /nfs/dbraw/zinc/54/13/13/573541313.db2.gz SJXZZCHBBMBLHI-SECBINFHSA-N 0 0 192.266 2.007 10 30 AEEERN O=C1C=C(c2cncc(F)c2)CCC1 83534831 573541326 /nfs/dbraw/zinc/54/13/26/573541326.db2.gz URTBKNIWDJLCID-UHFFFAOYSA-N 0 0 191.205 2.357 10 30 AEEERN N#C[C@H](/C=N/O)c1cccc2[nH]ccc12 308616614 573541858 /nfs/dbraw/zinc/54/18/58/573541858.db2.gz YTVAZVHQWCAJCA-WPIAHNSYSA-N 0 0 199.213 2.235 10 30 AEEERN C=CC[C@@]1(C#N)CCC[C@H]1OC(C)=O 39112303 573542799 /nfs/dbraw/zinc/54/27/99/573542799.db2.gz PBNCCQYTJPUBFA-MNOVXSKESA-N 0 0 193.246 2.188 10 30 AEEERN CO[C@@H]1[C@H](C#N)[C@H]1CC(C)(C)C 259501263 573543092 /nfs/dbraw/zinc/54/30/92/573543092.db2.gz AUEJTNRIJSZCMV-HLTSFMKQSA-N 0 0 167.252 2.207 10 30 AEEERN N#CCCCC[C@H]1CCCO1 83530241 573543535 /nfs/dbraw/zinc/54/35/35/573543535.db2.gz WWFVSPNPDBQPJD-VIFPVBQESA-N 0 0 153.225 2.249 10 30 AEEERN O=CC[C@H]1CCc2c(F)cccc21 257825016 573543447 /nfs/dbraw/zinc/54/34/47/573543447.db2.gz GXTYYEWKEVACPB-MRVPVSSYSA-N 0 0 178.206 2.445 10 30 AEEERN CN[C@H](C#N)c1ccc(Cl)s1 259497717 573543458 /nfs/dbraw/zinc/54/34/58/573543458.db2.gz RUONRORHVNQJBP-RXMQYKEDSA-N 0 0 186.667 2.186 10 30 AEEERN C=C(C)[C@@H]1C(=O)CC[C@H]1C 238435507 573543460 /nfs/dbraw/zinc/54/34/60/573543460.db2.gz QXOUIKCWDIVFQS-APPZFPTMSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C#N)N(C)c1ccc(F)cc1F 258766265 573543532 /nfs/dbraw/zinc/54/35/32/573543532.db2.gz KDUUTZUZSVRRED-SSDOTTSWSA-N 0 0 196.200 2.313 10 30 AEEERN CCc1nc(C(C)(C)C#N)[nH]c1C 258767835 573543670 /nfs/dbraw/zinc/54/36/70/573543670.db2.gz SWWXKLXTEGELMG-UHFFFAOYSA-N 0 0 177.251 2.082 10 30 AEEERN C=CC[C@]1(C=O)C[C@H](C)CCC1=O 238435103 573543688 /nfs/dbraw/zinc/54/36/88/573543688.db2.gz FULVGIFSTJFSSO-MWLCHTKSSA-N 0 0 180.247 2.137 10 30 AEEERN C[C@H]1C[C@@]1(C#N)c1ccc(O)cc1 259499774 573543736 /nfs/dbraw/zinc/54/37/36/573543736.db2.gz AOGBVKITWUVPQG-KWQFWETISA-N 0 0 173.215 2.193 10 30 AEEERN CC/C=C\C/C=C/C[C@@H]1O[C@@H]1CCO 308626318 573544197 /nfs/dbraw/zinc/54/41/97/573544197.db2.gz MIFZQVMCJOTVBW-ZDYFVVOQSA-N 0 0 196.290 2.439 10 30 AEEERN O=C1C=C(CC2CCOCC2)CCC1 83534749 573543787 /nfs/dbraw/zinc/54/37/87/573543787.db2.gz SEGCBIROEPTPDI-UHFFFAOYSA-N 0 0 194.274 2.483 10 30 AEEERN C#C[C@@H]([NH2+]CC)c1sccc1OC 130321162 573543954 /nfs/dbraw/zinc/54/39/54/573543954.db2.gz OHEUWAGPEKQYFX-MRVPVSSYSA-N 0 0 195.287 2.041 10 30 AEEERN CO[C@](C)(C=O)c1cccc(C)c1 257825083 573544038 /nfs/dbraw/zinc/54/40/38/573544038.db2.gz GZZXNDKLOBVPNA-LLVKDONJSA-N 0 0 178.231 2.056 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)C1=O 238435448 573544092 /nfs/dbraw/zinc/54/40/92/573544092.db2.gz QGJUGXJZLYULLC-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN CO[C@](C)(CC=O)c1ccc(F)cc1 257824809 573544124 /nfs/dbraw/zinc/54/41/24/573544124.db2.gz GZJOWWFISCDRMP-LLVKDONJSA-N 0 0 196.221 2.276 10 30 AEEERN C#CCC[C@H](O)/C=C\c1ccccc1 308618981 573544140 /nfs/dbraw/zinc/54/41/40/573544140.db2.gz CIBMBWGLXGKLOD-OEYXZAGESA-N 0 0 186.254 2.474 10 30 AEEERN COc1ccc([C@@H]2CC[C@@H]2C=O)cc1 257824780 573544156 /nfs/dbraw/zinc/54/41/56/573544156.db2.gz GYOMBEOIBSFSOV-PWSUYJOCSA-N 0 0 190.242 2.388 10 30 AEEERN C=C[C@H]1CCC(C=O)=C(O)[C@@H]1C 238436684 573545541 /nfs/dbraw/zinc/54/55/41/573545541.db2.gz RMYQYGRSNJRQPA-JESIJGHFSA-N 0 0 166.220 2.230 10 30 AEEERN C[C@]12CC[C@]13CC(C=O)=C(O)[C@@H]3C2 238436742 573545519 /nfs/dbraw/zinc/54/55/19/573545519.db2.gz QDHXCZHERHDDCN-JCBGZEJDSA-N 0 0 178.231 2.208 10 30 AEEERN N#Cc1c(O)c[nH]c1-c1ccccc1 259501278 573545116 /nfs/dbraw/zinc/54/51/16/573545116.db2.gz UPRCBOJHOFUGKX-UHFFFAOYSA-N 0 0 184.198 2.259 10 30 AEEERN C=CC(=O)C1=C[C@H](C)CC1 238436405 573545166 /nfs/dbraw/zinc/54/51/66/573545166.db2.gz NCXAJTNGEGRDBR-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN Cc1[nH]c(CC#N)nc1-c1ccco1 258767820 573545193 /nfs/dbraw/zinc/54/51/93/573545193.db2.gz SWHJHCXTYGMLHR-UHFFFAOYSA-N 0 0 187.202 2.044 10 30 AEEERN C[C@@H](C#N)N(C)c1ccc(F)cc1F 258766271 573545222 /nfs/dbraw/zinc/54/52/22/573545222.db2.gz KDUUTZUZSVRRED-ZETCQYMHSA-N 0 0 196.200 2.313 10 30 AEEERN C=C[C@@H](C)[C@@](C)(C=C)C=O 238436313 573545218 /nfs/dbraw/zinc/54/52/18/573545218.db2.gz RGPRDBVEZRORMC-BDAKNGLRSA-N 0 0 138.210 2.200 10 30 AEEERN CCOc1ccc([C@@](C)(F)C=O)cc1 257825397 573545402 /nfs/dbraw/zinc/54/54/02/573545402.db2.gz HFXDFZKBSMRMQI-NSHDSACASA-N 0 0 196.221 2.469 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H](NC=O)C1 238435581 573545432 /nfs/dbraw/zinc/54/54/32/573545432.db2.gz CTJRKJOQJZEUQS-MXWKQRLJSA-N 0 0 181.279 2.113 10 30 AEEERN C#CCC[C@@H](O)/C=C\c1ccccc1 308618980 573545444 /nfs/dbraw/zinc/54/54/44/573545444.db2.gz CIBMBWGLXGKLOD-BSYHEUMXSA-N 0 0 186.254 2.474 10 30 AEEERN C=C1CC[C@H]2[C@@H]1C(=O)C2(C)C 224283312 573545448 /nfs/dbraw/zinc/54/54/48/573545448.db2.gz AIWUCAJTUHTXMC-JGVFFNPUSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H]1C(=O)C=CN[C@@H]1c1ccccc1 238435978 573545673 /nfs/dbraw/zinc/54/56/73/573545673.db2.gz XVPBQZAHNOSDKY-CABZTGNLSA-N 0 0 187.242 2.050 10 30 AEEERN CCc1nc(C2(C#N)CCC2)[nH]c1C 258767867 573545760 /nfs/dbraw/zinc/54/57/60/573545760.db2.gz SXKBZVRFVVPROP-UHFFFAOYSA-N 0 0 189.262 2.226 10 30 AEEERN C=C1C=C(C)[C@]2(C)[C@@H](C)C(=O)N[C@@]12C 238436561 573545766 /nfs/dbraw/zinc/54/57/66/573545766.db2.gz DUTVXPNQNBUPSG-WCQGTBRESA-N 0 0 191.274 2.033 10 30 AEEERN C[C@@H]1C[C@]1(C#N)c1ccc(O)cc1 259499777 573545795 /nfs/dbraw/zinc/54/57/95/573545795.db2.gz AOGBVKITWUVPQG-LDYMZIIASA-N 0 0 173.215 2.193 10 30 AEEERN C[C@@]1(c2ccccc2F)C[C@@H]1C=O 257825976 573549095 /nfs/dbraw/zinc/54/90/95/573549095.db2.gz HHELPCHXBODVBZ-LDYMZIIASA-N 0 0 178.206 2.302 10 30 AEEERN C=C[C@@H](C)[C@@](C)(O)c1ccccc1O 238436426 573546893 /nfs/dbraw/zinc/54/68/93/573546893.db2.gz DBCFGHNZTIRKDH-BXKDBHETSA-N 0 0 192.258 2.422 10 30 AEEERN CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CCO 308626319 573546928 /nfs/dbraw/zinc/54/69/28/573546928.db2.gz MIFZQVMCJOTVBW-ZGQVMVAYSA-N 0 0 196.290 2.439 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1cccc(O)c1 238435802 573547017 /nfs/dbraw/zinc/54/70/17/573547017.db2.gz COUUXMRWYXQDNI-LDYMZIIASA-N 0 0 178.231 2.248 10 30 AEEERN CN[C@H](C#N)c1ccc(C(F)F)cc1 124607101 573547043 /nfs/dbraw/zinc/54/70/43/573547043.db2.gz GCVMSFMFMSXRNO-SECBINFHSA-N 0 0 196.200 2.408 10 30 AEEERN C=C[C@@H](C)[C@@](C)(O)c1ccccc1N 238436411 573547107 /nfs/dbraw/zinc/54/71/07/573547107.db2.gz WWIQEZZSONORBC-BXKDBHETSA-N 0 0 191.274 2.298 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(N)=O 238435744 573547121 /nfs/dbraw/zinc/54/71/21/573547121.db2.gz MJFGKWFJGMHFJQ-UTLUCORTSA-N 0 0 196.294 2.036 10 30 AEEERN C=C[C@@H](C)[C@@H](O)c1ccc(O)cc1 238435786 573547140 /nfs/dbraw/zinc/54/71/40/573547140.db2.gz PLCSUDBQKKSAFD-LDYMZIIASA-N 0 0 178.231 2.248 10 30 AEEERN N#C[C@H]1CCc2cc(F)ccc2O1 259503738 573547228 /nfs/dbraw/zinc/54/72/28/573547228.db2.gz JPIYTTJQYJXVCA-SECBINFHSA-N 0 0 177.178 2.043 10 30 AEEERN CC(=O)C1=C(C)[C@H](C)CC1 238436602 573547324 /nfs/dbraw/zinc/54/73/24/573547324.db2.gz RVBZGXCVWRKADP-ZCFIWIBFSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@]1(c2ccccc2F)C[C@H]1C=O 257825975 573547378 /nfs/dbraw/zinc/54/73/78/573547378.db2.gz HHELPCHXBODVBZ-KWQFWETISA-N 0 0 178.206 2.302 10 30 AEEERN C/C=C\C[C@H](O)C#Cc1ccccc1 308619129 573547470 /nfs/dbraw/zinc/54/74/70/573547470.db2.gz CPULKGMHBBLRJF-ZRMMWKCHSA-N 0 0 186.254 2.365 10 30 AEEERN CO[C@H](C=O)Cc1cccc(Cl)c1 257825778 573547563 /nfs/dbraw/zinc/54/75/63/573547563.db2.gz FRXHOCCDDLISHB-JTQLQIEISA-N 0 0 198.649 2.096 10 30 AEEERN CCOCCC1=CCCCC1=O 238263200 573547679 /nfs/dbraw/zinc/54/76/79/573547679.db2.gz GHOQRTCQIJFGPG-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN CCC(CO)N=Nc1ccc(C)cc1 308627364 573547748 /nfs/dbraw/zinc/54/77/48/573547748.db2.gz OOYJRMSSVHOKLX-UHFFFAOYSA-N 0 0 192.262 2.165 10 30 AEEERN C=C1C=C(C)[C@@]2(C)[C@@H](C)C(=O)N[C@@]12C 238436552 573547854 /nfs/dbraw/zinc/54/78/54/573547854.db2.gz DUTVXPNQNBUPSG-DLOVCJGASA-N 0 0 191.274 2.033 10 30 AEEERN CC/C=C/C/C=C\C[C@@H]1O[C@@H]1CCO 308626317 573548070 /nfs/dbraw/zinc/54/80/70/573548070.db2.gz MIFZQVMCJOTVBW-KMTLKACQSA-N 0 0 196.290 2.439 10 30 AEEERN Cc1cccc(-c2cc(C#N)n[nH]2)c1 259502992 573548099 /nfs/dbraw/zinc/54/80/99/573548099.db2.gz ZWFHAVBWRABHKA-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN CS[C@@]1(C#N)CCC[C@H]1C 86658295 573548220 /nfs/dbraw/zinc/54/82/20/573548220.db2.gz IRHVJACWUMOLNQ-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN CC(=O)C1=C(C)O[C@H](C)CC1 238436581 573548258 /nfs/dbraw/zinc/54/82/58/573548258.db2.gz LJYXEGXMBJNECD-ZCFIWIBFSA-N 0 0 154.209 2.048 10 30 AEEERN CC(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C#N 238436233 573548370 /nfs/dbraw/zinc/54/83/70/573548370.db2.gz OODWVDBILIRTBS-QNSHHTMESA-N 0 0 165.236 2.151 10 30 AEEERN CCC[C@@H](CF)CC#N 257826110 573548372 /nfs/dbraw/zinc/54/83/72/573548372.db2.gz GZUIMTRJUOYTNN-SSDOTTSWSA-N 0 0 129.178 2.286 10 30 AEEERN CC(C)(O)c1cccc(CCC=O)c1 259505422 573548399 /nfs/dbraw/zinc/54/83/99/573548399.db2.gz RJMULZAMONHTQF-UHFFFAOYSA-N 0 0 192.258 2.046 10 30 AEEERN CC(=O)C#CC1=CC[C@H](C)CC1 238436373 573548498 /nfs/dbraw/zinc/54/84/98/573548498.db2.gz HYNTWDOFQXEVAF-VIFPVBQESA-N 0 0 162.232 2.325 10 30 AEEERN N#CCCC(=O)c1n[nH]c2ccccc12 259614840 573548561 /nfs/dbraw/zinc/54/85/61/573548561.db2.gz BSNDBCBLZXJKAB-UHFFFAOYSA-N 0 0 199.213 2.049 10 30 AEEERN CS[C@]1(C#N)CCC[C@@H]1C 86658294 573548596 /nfs/dbraw/zinc/54/85/96/573548596.db2.gz IRHVJACWUMOLNQ-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN CCC[C@H](CF)CC#N 257826111 573548667 /nfs/dbraw/zinc/54/86/67/573548667.db2.gz GZUIMTRJUOYTNN-ZETCQYMHSA-N 0 0 129.178 2.286 10 30 AEEERN CS[C@@]1(C#N)CCC[C@@H]1C 86658296 573548671 /nfs/dbraw/zinc/54/86/71/573548671.db2.gz IRHVJACWUMOLNQ-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN CN[C@@H](C#N)c1ccc(C(F)F)cc1 124606903 573548823 /nfs/dbraw/zinc/54/88/23/573548823.db2.gz GCVMSFMFMSXRNO-VIFPVBQESA-N 0 0 196.200 2.408 10 30 AEEERN C=CCCC(=O)[C@@H](CCC)OC 131860026 573550620 /nfs/dbraw/zinc/55/06/20/573550620.db2.gz DUPUTNQNRXBWDQ-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN C/C=C\[C@H](O)[C@H](C#N)c1ccccc1 308629953 573551737 /nfs/dbraw/zinc/55/17/37/573551737.db2.gz SIYIAPVKVJCEDE-NVJVVVOFSA-N 0 0 187.242 2.231 10 30 AEEERN N#C[C@]1(CCCC(F)F)CCOC1 688740834 573554568 /nfs/dbraw/zinc/55/45/68/573554568.db2.gz SJBORNHSFNISLN-VIFPVBQESA-N 0 0 189.205 2.352 10 30 AEEERN C=C[C@@H](C)[C@H](O)C=C(C)C 238437372 573550306 /nfs/dbraw/zinc/55/03/06/573550306.db2.gz PYSWYUCNYVBXPS-RKDXNWHRSA-N 0 0 140.226 2.136 10 30 AEEERN C=C(C)[C@H](O)[C@@H](C)/C=C/Cl 238438237 573550339 /nfs/dbraw/zinc/55/03/39/573550339.db2.gz PKFAQHOMUSBXLM-VEVSIANRSA-N 0 0 160.644 2.312 10 30 AEEERN Cc1cnc(C#N)cc1NCC1CC1 306502401 573551766 /nfs/dbraw/zinc/55/17/66/573551766.db2.gz OPNCECPELZKVDA-UHFFFAOYSA-N 0 0 187.246 2.084 10 30 AEEERN C#CCCCN(CC(F)F)C1CC1 393534223 573550454 /nfs/dbraw/zinc/55/04/54/573550454.db2.gz GLHKZIBMMZOLJW-UHFFFAOYSA-N 0 0 187.233 2.129 10 30 AEEERN N#C[C@@H]1CCc2cc(F)ccc2O1 259503740 573550520 /nfs/dbraw/zinc/55/05/20/573550520.db2.gz JPIYTTJQYJXVCA-VIFPVBQESA-N 0 0 177.178 2.043 10 30 AEEERN C=CCCC(=O)[C@H](CCC)OC 131859801 573550590 /nfs/dbraw/zinc/55/05/90/573550590.db2.gz DUPUTNQNRXBWDQ-JTQLQIEISA-N 0 0 170.252 2.337 10 30 AEEERN CCCc1cccc(CC=O)c1OC 257826213 573550644 /nfs/dbraw/zinc/55/06/44/573550644.db2.gz HLHHJSVSXVQJDR-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN CCC/C=C\[C@H](O)C#C/C=C\OCC 308628278 573550647 /nfs/dbraw/zinc/55/06/47/573550647.db2.gz PZJZXZSJFZDTQH-FEYCRDNPSA-N 0 0 194.274 2.257 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1cccc(O)c1 238437700 573550661 /nfs/dbraw/zinc/55/06/61/573550661.db2.gz COUUXMRWYXQDNI-KCJUWKMLSA-N 0 0 178.231 2.248 10 30 AEEERN C=C[C@]1(C)C(=O)Cc2ccccc21 197391872 573550720 /nfs/dbraw/zinc/55/07/20/573550720.db2.gz KYDRMRLJQJNFPM-LBPRGKRZSA-N 0 0 172.227 2.256 10 30 AEEERN C[C@@H](CCC#N)C1CC1 107395588 573550815 /nfs/dbraw/zinc/55/08/15/573550815.db2.gz WEUHCNMMFFLFMX-ZETCQYMHSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@]1(c2ccccc2F)C[C@@H]1C=O 257825974 573550842 /nfs/dbraw/zinc/55/08/42/573550842.db2.gz HHELPCHXBODVBZ-KCJUWKMLSA-N 0 0 178.206 2.302 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@H](C)[C@@H]2C1 238436967 573550920 /nfs/dbraw/zinc/55/09/20/573550920.db2.gz LVSYSZSHKKCALS-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN C=CC1=CC[C@@H](C=O)C[C@@H]1C 238437186 573550980 /nfs/dbraw/zinc/55/09/80/573550980.db2.gz OKRJZPFDYHXJHM-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN COc1cccc([C@](C)(F)C=O)c1 257825993 573551023 /nfs/dbraw/zinc/55/10/23/573551023.db2.gz HHXNHXIJXRRGMP-SNVBAGLBSA-N 0 0 182.194 2.079 10 30 AEEERN C=CC[C@@H](O)/C=C/[C@@H](C)[C@@H](O)C(C)C 308627849 573551064 /nfs/dbraw/zinc/55/10/64/573551064.db2.gz PHTNEJKAPILAAB-STQKHWSWSA-N 0 0 198.306 2.133 10 30 AEEERN C=CC[C@H](O)c1ncc(Cl)s1 223150803 573551780 /nfs/dbraw/zinc/55/17/80/573551780.db2.gz JAZSDFWAICWLKA-YFKPBYRVSA-N 0 0 189.667 2.406 10 30 AEEERN C=CCC[C@@H](C)[C@H](C)CO 238436786 573551126 /nfs/dbraw/zinc/55/11/26/573551126.db2.gz KLGGPFZFRIWKPF-RKDXNWHRSA-N 0 0 142.242 2.217 10 30 AEEERN C=C[C@@H](C)[C@H]1CCCC[C@H]1O 238437947 573551188 /nfs/dbraw/zinc/55/11/88/573551188.db2.gz HZLDZDBVLZNKRU-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@@H](C)[C@H](O)C#CC(C)(C)C 238437199 573551267 /nfs/dbraw/zinc/55/12/67/573551267.db2.gz XXCXZMGDTBXORE-NXEZZACHSA-N 0 0 166.264 2.219 10 30 AEEERN COc1cccc([C@@](C)(F)C=O)c1 257825992 573551371 /nfs/dbraw/zinc/55/13/71/573551371.db2.gz HHXNHXIJXRRGMP-JTQLQIEISA-N 0 0 182.194 2.079 10 30 AEEERN CCC(CC)CN[C@H](C#N)CC 130349794 573551387 /nfs/dbraw/zinc/55/13/87/573551387.db2.gz FBZPUUHHLXPSOX-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN C[C@@]1(c2ccccc2F)C[C@H]1C=O 257825973 573551406 /nfs/dbraw/zinc/55/14/06/573551406.db2.gz HHELPCHXBODVBZ-GZMMTYOYSA-N 0 0 178.206 2.302 10 30 AEEERN N#CC1(C(=O)C2CCC2)CCC1 259121986 573551463 /nfs/dbraw/zinc/55/14/63/573551463.db2.gz ISSHBBLPNBJSIJ-UHFFFAOYSA-N 0 0 163.220 2.049 10 30 AEEERN CO[C@@H](C=O)Cc1cccc(Cl)c1 257825781 573551590 /nfs/dbraw/zinc/55/15/90/573551590.db2.gz FRXHOCCDDLISHB-SNVBAGLBSA-N 0 0 198.649 2.096 10 30 AEEERN C=C[C@H](O)CC/C=C(/C=C\CC)CO 308630563 573551630 /nfs/dbraw/zinc/55/16/30/573551630.db2.gz SWYZMBZOXHMQHV-SJLYLDQVSA-N 0 0 196.290 2.198 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1ccc(O)cc1 238437681 573551679 /nfs/dbraw/zinc/55/16/79/573551679.db2.gz PLCSUDBQKKSAFD-KCJUWKMLSA-N 0 0 178.231 2.248 10 30 AEEERN CCc1ccnc([C@H](C#N)CC)n1 259120848 573551833 /nfs/dbraw/zinc/55/18/33/573551833.db2.gz PLTRJNZBBYHVNL-QMMMGPOBSA-N 0 0 175.235 2.056 10 30 AEEERN C=C[C@H](O)C/C=C\CC[C@@H](O)/C=C\C 308629223 573551898 /nfs/dbraw/zinc/55/18/98/573551898.db2.gz RNUCIRODTXLBNP-AKBQNECWSA-N 0 0 196.290 2.197 10 30 AEEERN C[C@H](CCC=O)C1CC1 107395711 573551923 /nfs/dbraw/zinc/55/19/23/573551923.db2.gz IYVGOEXAIUDGNV-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN Cc1ccc([C@H](N)C(C)(C)C#N)o1 259502625 573552019 /nfs/dbraw/zinc/55/20/19/573552019.db2.gz QZHWAFVFRGVKKE-VIFPVBQESA-N 0 0 178.235 2.138 10 30 AEEERN C[C@@H]1C=CC(C)(C)[C@@H](C=O)C1 238437131 573552101 /nfs/dbraw/zinc/55/21/01/573552101.db2.gz OYQOVFPMKMUIOE-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1ccc([C@@H](N)C(C)(C)C#N)o1 259502623 573552104 /nfs/dbraw/zinc/55/21/04/573552104.db2.gz QZHWAFVFRGVKKE-SECBINFHSA-N 0 0 178.235 2.138 10 30 AEEERN CSc1nc(Cl)c(C)c(C#N)n1 238436912 573552124 /nfs/dbraw/zinc/55/21/24/573552124.db2.gz GBVITSXMSCUBJF-UHFFFAOYSA-N 0 0 199.666 2.032 10 30 AEEERN C=C[C@@H]1CC(=O)C[C@@H](C)C1 238437018 573552184 /nfs/dbraw/zinc/55/21/84/573552184.db2.gz VFKXASDLWHVPDM-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CCc1ccnc([C@@H](C#N)CC)n1 259120846 573552201 /nfs/dbraw/zinc/55/22/01/573552201.db2.gz PLTRJNZBBYHVNL-MRVPVSSYSA-N 0 0 175.235 2.056 10 30 AEEERN C[C@@]12CCC[C@@H]1CC=CC2=O 238437949 573552258 /nfs/dbraw/zinc/55/22/58/573552258.db2.gz GVYPRINVENBDIT-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@H](O)CC/C=C(\C=C/CC)CO 308630565 573552314 /nfs/dbraw/zinc/55/23/14/573552314.db2.gz SWYZMBZOXHMQHV-ZWNMQTDASA-N 0 0 196.290 2.198 10 30 AEEERN C=C[C@@H](C)[C@](C)(C=C)C=O 238438312 573552382 /nfs/dbraw/zinc/55/23/82/573552382.db2.gz RGPRDBVEZRORMC-RKDXNWHRSA-N 0 0 138.210 2.200 10 30 AEEERN N#C[C@@H](N)c1ccc(C(F)F)cc1 95715337 573552399 /nfs/dbraw/zinc/55/23/99/573552399.db2.gz FSJDXHGHIWRZDR-MRVPVSSYSA-N 0 0 182.173 2.148 10 30 AEEERN C=CCC(C)(C)/C=C\CC(CO)CO 308629973 573552427 /nfs/dbraw/zinc/55/24/27/573552427.db2.gz SLQFJWQRJNBUTP-YVMONPNESA-N 0 0 198.306 2.136 10 30 AEEERN C[C@@H]1[C@@H](C=O)[C@@]1(C)c1ccccc1 238437244 573552434 /nfs/dbraw/zinc/55/24/34/573552434.db2.gz JNQQINPCGBQLNJ-YUSALJHKSA-N 0 0 174.243 2.409 10 30 AEEERN CCC1=C(C)O[C@@H](CC)C1=O 224294444 573552510 /nfs/dbraw/zinc/55/25/10/573552510.db2.gz IROWMCPLTWVVLR-QMMMGPOBSA-N 0 0 154.209 2.048 10 30 AEEERN C=CC1=C(C)C(=O)[C@H](C)CC1 238437764 573552532 /nfs/dbraw/zinc/55/25/32/573552532.db2.gz JDCRFXKWUSYDIE-SSDOTTSWSA-N 0 0 150.221 2.488 10 30 AEEERN CCC1=C(C)O[C@H](CC)C1=O 224294388 573552565 /nfs/dbraw/zinc/55/25/65/573552565.db2.gz IROWMCPLTWVVLR-MRVPVSSYSA-N 0 0 154.209 2.048 10 30 AEEERN C[C@H]1CC(C=O)=C(O)CC(C)(C)C1 238437070 573552635 /nfs/dbraw/zinc/55/26/35/573552635.db2.gz COLVOMNKATYPGO-DTWKUNHWSA-N 0 0 182.263 2.217 10 30 AEEERN CCCC#C[C@@H](O)/C=C\c1ccco1 308629093 573552679 /nfs/dbraw/zinc/55/26/79/573552679.db2.gz RBPFRKYGBLBWJU-TYBABMIJSA-N 0 0 190.242 2.457 10 30 AEEERN CC(C)[C@@H](C)CCC=O 107395874 573552737 /nfs/dbraw/zinc/55/27/37/573552737.db2.gz WHBVBEDTSHAMHP-QMMMGPOBSA-N 0 0 128.215 2.258 10 30 AEEERN C=C[C@@H](O)CC[C@H](C)CC[C@@H](O)C=C 308630570 573552750 /nfs/dbraw/zinc/55/27/50/573552750.db2.gz SYEGLVMATCMAHI-ZSBIGDGJSA-N 0 0 198.306 2.277 10 30 AEEERN CCCC#C[C@H](O)/C=C\c1ccco1 308629091 573552757 /nfs/dbraw/zinc/55/27/57/573552757.db2.gz RBPFRKYGBLBWJU-IQQGHNRFSA-N 0 0 190.242 2.457 10 30 AEEERN CC1=CC(=O)C[C@H](C)CC1 238437572 573552835 /nfs/dbraw/zinc/55/28/35/573552835.db2.gz LHIMWVBWXDIFPT-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C\[C@H](O)[C@@H](C#N)c1ccccc1 308629954 573552867 /nfs/dbraw/zinc/55/28/67/573552867.db2.gz SIYIAPVKVJCEDE-TXHOQGCJSA-N 0 0 187.242 2.231 10 30 AEEERN Cc1ccc([C@@H](C)[C@H]2CO2)cc1 238436889 573552895 /nfs/dbraw/zinc/55/28/95/573552895.db2.gz ZSWMIVAYKBOVBO-MWLCHTKSSA-N 0 0 162.232 2.497 10 30 AEEERN C[C@H]1C(=O)CCC(C)(C)[C@@H]1CC=O 238438170 573552934 /nfs/dbraw/zinc/55/29/34/573552934.db2.gz TYHPGCJOWYGLET-RKDXNWHRSA-N 0 0 182.263 2.217 10 30 AEEERN CCCC(=O)C(=O)c1ccc(C)cc1 308628272 573553073 /nfs/dbraw/zinc/55/30/73/573553073.db2.gz PYWXEEPEFUGHLH-VSQXVHSFSA-N 0 0 190.242 2.174 10 30 AEEERN C[C@@H](CCC=O)C1CC1 107395710 573553123 /nfs/dbraw/zinc/55/31/23/573553123.db2.gz IYVGOEXAIUDGNV-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN CC(C)[C@H](C)CCC=O 107395877 573553242 /nfs/dbraw/zinc/55/32/42/573553242.db2.gz WHBVBEDTSHAMHP-MRVPVSSYSA-N 0 0 128.215 2.258 10 30 AEEERN CC(C)(C#N)C1(C2CCC2)COC1 259122593 573553291 /nfs/dbraw/zinc/55/32/91/573553291.db2.gz GSCDVHUEAUHIAQ-UHFFFAOYSA-N 0 0 179.263 2.353 10 30 AEEERN C#CCN[C@H](C#N)c1c(C)cccc1C 126518400 573553459 /nfs/dbraw/zinc/55/34/59/573553459.db2.gz BNSMTVPIVIKRGW-GFCCVEGCSA-N 0 0 198.269 2.091 10 30 AEEERN CC[C@@H](C)c1ccc([C@H](N)C=O)cc1 259507261 573553490 /nfs/dbraw/zinc/55/34/90/573553490.db2.gz UVPAFIMVBNFFDL-BXKDBHETSA-N 0 0 191.274 2.399 10 30 AEEERN C=C[C@H](O)C/C=C/CC[C@@H](O)/C=C/C 308629226 573553504 /nfs/dbraw/zinc/55/35/04/573553504.db2.gz RNUCIRODTXLBNP-PXSHYCLTSA-N 0 0 196.290 2.197 10 30 AEEERN CCC/C=C\[C@H](O)C#C/C=C/OCC 308628279 573553514 /nfs/dbraw/zinc/55/35/14/573553514.db2.gz PZJZXZSJFZDTQH-HVKURLNASA-N 0 0 194.274 2.257 10 30 AEEERN C=CC[C@@H](O)c1ncc(Cl)s1 223150750 573553517 /nfs/dbraw/zinc/55/35/17/573553517.db2.gz JAZSDFWAICWLKA-RXMQYKEDSA-N 0 0 189.667 2.406 10 30 AEEERN CN[C@@H](CC#N)c1cc(C)ccc1C 259507901 573553653 /nfs/dbraw/zinc/55/36/53/573553653.db2.gz SNBPKZYPGYWMGZ-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN CCC(CC)CN[C@@H](C#N)CC 130349985 573553704 /nfs/dbraw/zinc/55/37/04/573553704.db2.gz FBZPUUHHLXPSOX-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN O=CC[C@H]1CCc2ccc(F)cc21 257826459 573553717 /nfs/dbraw/zinc/55/37/17/573553717.db2.gz HMUMKXUGHMOXHF-SECBINFHSA-N 0 0 178.206 2.445 10 30 AEEERN C#CC(=O)C1(C)[C@@H](C)CC[C@@H]1C 238437052 573553764 /nfs/dbraw/zinc/55/37/64/573553764.db2.gz IKFHVXCJXIZDPT-IUCAKERBSA-N 0 0 164.248 2.261 10 30 AEEERN O=CC[C@@H]1CCc2ccc(F)cc21 257826460 573553852 /nfs/dbraw/zinc/55/38/52/573553852.db2.gz HMUMKXUGHMOXHF-VIFPVBQESA-N 0 0 178.206 2.445 10 30 AEEERN CC(C)Cc1ccc([C@H](N)C=O)cc1 259507208 573553965 /nfs/dbraw/zinc/55/39/65/573553965.db2.gz UVEOPNWCXDPUPB-GFCCVEGCSA-N 0 0 191.274 2.084 10 30 AEEERN C=C[C@@]1(C)C(=O)Cc2ccccc21 197391884 573553991 /nfs/dbraw/zinc/55/39/91/573553991.db2.gz KYDRMRLJQJNFPM-GFCCVEGCSA-N 0 0 172.227 2.256 10 30 AEEERN CC(C)Cc1csc(CC#N)n1 259120058 573554010 /nfs/dbraw/zinc/55/40/10/573554010.db2.gz GHPILVJGTPKNJY-UHFFFAOYSA-N 0 0 180.276 2.408 10 30 AEEERN N#C[C@@H]1C[C@@]12CCCSC2 211908129 573554029 /nfs/dbraw/zinc/55/40/29/573554029.db2.gz XUTRTDMYYNLNHZ-JGVFFNPUSA-N 0 0 153.250 2.043 10 30 AEEERN C[C@@H]1[C@H](C#N)[C@H]1c1ccco1 259506658 573554157 /nfs/dbraw/zinc/55/41/57/573554157.db2.gz BKJYCQPWKITJSZ-FJXKBIBVSA-N 0 0 147.177 2.153 10 30 AEEERN CC(C)Cc1ccc([C@@H](N)C=O)cc1 259507211 573554446 /nfs/dbraw/zinc/55/44/46/573554446.db2.gz UVEOPNWCXDPUPB-LBPRGKRZSA-N 0 0 191.274 2.084 10 30 AEEERN CC[C@H](C)c1ccc([C@@H](N)C=O)cc1 259507264 573554491 /nfs/dbraw/zinc/55/44/91/573554491.db2.gz UVPAFIMVBNFFDL-CABZTGNLSA-N 0 0 191.274 2.399 10 30 AEEERN Cc1c(F)cccc1CCC=O 95699048 573554604 /nfs/dbraw/zinc/55/46/04/573554604.db2.gz AZBHBJQYHGXWRI-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN C=CC[C@@H]1O[C@H](CCCO)CC1=C 215271129 573555608 /nfs/dbraw/zinc/55/56/08/573555608.db2.gz GTCFNQQERAQEMW-MNOVXSKESA-N 0 0 182.263 2.049 10 30 AEEERN C=C[C@@H](C)c1c(C=O)ccc(O)c1O 238438855 573555499 /nfs/dbraw/zinc/55/54/99/573555499.db2.gz JCQOHPHXXZQEBG-SSDOTTSWSA-N 0 0 192.214 2.200 10 30 AEEERN C#CCN[C@@H](C#N)c1c(C)cccc1C 126518602 573555502 /nfs/dbraw/zinc/55/55/02/573555502.db2.gz BNSMTVPIVIKRGW-LBPRGKRZSA-N 0 0 198.269 2.091 10 30 AEEERN N#Cc1c(O)c[nH]c1-c1cccs1 259504870 573555510 /nfs/dbraw/zinc/55/55/10/573555510.db2.gz VFOZWTTYNOBBTA-UHFFFAOYSA-N 0 0 190.227 2.320 10 30 AEEERN CC#CCCOC(=O)C(C)(C)CC 393535291 573556836 /nfs/dbraw/zinc/55/68/36/573556836.db2.gz BVJRAQOPJWSUBX-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN Cc1cc(C)c(NCC=O)c(C)c1 258773277 573556630 /nfs/dbraw/zinc/55/66/30/573556630.db2.gz ZBFXPWPVBASRGC-UHFFFAOYSA-N 0 0 177.247 2.223 10 30 AEEERN C=C[C@@H](C)[C@](C)(O)c1ccccc1O 238438433 573556693 /nfs/dbraw/zinc/55/66/93/573556693.db2.gz DBCFGHNZTIRKDH-SKDRFNHKSA-N 0 0 192.258 2.422 10 30 AEEERN N#C[C@@]1(CCCC(F)F)CCOC1 688740827 573556709 /nfs/dbraw/zinc/55/67/09/573556709.db2.gz SJBORNHSFNISLN-SECBINFHSA-N 0 0 189.205 2.352 10 30 AEEERN C=C[C@]12CCC[C@H]1[C@@H](C)C2=O 238438628 573556728 /nfs/dbraw/zinc/55/67/28/573556728.db2.gz UIGLQJUEHGXUPL-WEDXCCLWSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@@H]1CC=C(C(=O)[C@H]2CCOC2)CC1 235616996 573556800 /nfs/dbraw/zinc/55/68/00/573556800.db2.gz LQPCFQBILLBGGL-KOLCDFICSA-N 0 0 194.274 2.338 10 30 AEEERN CCC(CC)CN=C(NC#N)SC 130375261 573557297 /nfs/dbraw/zinc/55/72/97/573557297.db2.gz VCTSQUWNJFZSIP-UHFFFAOYSA-N 0 0 199.323 2.212 10 30 AEEERN Cc1cccc2c([C@@H](N)C#N)cn(C)c12 259506588 573557444 /nfs/dbraw/zinc/55/74/44/573557444.db2.gz BIRTUEOLCGLCRZ-NSHDSACASA-N 0 0 199.257 2.010 10 30 AEEERN C=CC[C@H]1O[C@H](CCCO)CC1=C 215271086 573557488 /nfs/dbraw/zinc/55/74/88/573557488.db2.gz GTCFNQQERAQEMW-GHMZBOCLSA-N 0 0 182.263 2.049 10 30 AEEERN CC(C)[C@@H](C=O)[C@@H](O)c1ccccc1 308619796 573557813 /nfs/dbraw/zinc/55/78/13/573557813.db2.gz DEZAFGIJBUAWQF-NEPJUHHUSA-N 0 0 192.258 2.191 10 30 AEEERN N#C[C@@H]1C[C@]12CCCSC2 211908213 573557708 /nfs/dbraw/zinc/55/77/08/573557708.db2.gz XUTRTDMYYNLNHZ-YUMQZZPRSA-N 0 0 153.250 2.043 10 30 AEEERN CN[C@H](S)c1c[nH]c2ccccc12 259507793 573557948 /nfs/dbraw/zinc/55/79/48/573557948.db2.gz SLKGMYBVHSMCKX-SNVBAGLBSA-N 0 0 192.287 2.316 10 30 AEEERN CCC[C@@H]1C[C@@H](C#N)CC[C@@H]1O 259507618 573558049 /nfs/dbraw/zinc/55/80/49/573558049.db2.gz BNSGZQITIBSMSL-AEJSXWLSSA-N 0 0 167.252 2.087 10 30 AEEERN CCC[C@@H]1C[C@H](C#N)CC[C@H]1O 259507623 573558058 /nfs/dbraw/zinc/55/80/58/573558058.db2.gz BNSGZQITIBSMSL-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H]1[C@H](c2ccco2)[C@@H]1C#N 259506655 573558074 /nfs/dbraw/zinc/55/80/74/573558074.db2.gz BKJYCQPWKITJSZ-BHNWBGBOSA-N 0 0 147.177 2.153 10 30 AEEERN CCC[C@@H]([C@@H](C=O)CC)[C@@H](C)C=O 238268918 573558131 /nfs/dbraw/zinc/55/81/31/573558131.db2.gz ZYQRZHVBDTULKO-HBNTYKKESA-N 0 0 184.279 2.463 10 30 AEEERN C=C(CO)C[C@H]1CCCSC1 258061257 573558133 /nfs/dbraw/zinc/55/81/33/573558133.db2.gz DULATDBAIUIKJO-SECBINFHSA-N 0 0 172.293 2.068 10 30 AEEERN C[C@@H]1[C@@H](C#N)[C@@H]1c1ccco1 259506659 573558199 /nfs/dbraw/zinc/55/81/99/573558199.db2.gz BKJYCQPWKITJSZ-ZXFLCMHBSA-N 0 0 147.177 2.153 10 30 AEEERN CC(C=O)=C([O-])c1ccc(C)cc1 238440042 573558524 /nfs/dbraw/zinc/55/85/24/573558524.db2.gz GROLZAQNBRMQAT-SECBINFHSA-N 0 0 176.215 2.013 10 30 AEEERN CC(C=O)=C([O-])c1cc(C)ccc1C 238440026 573558539 /nfs/dbraw/zinc/55/85/39/573558539.db2.gz WZRJJLPDBJQHDE-SNVBAGLBSA-N 0 0 190.242 2.321 10 30 AEEERN CC1=C(C)C[C@H](C=NOCCO)CC1 308619810 573558567 /nfs/dbraw/zinc/55/85/67/573558567.db2.gz DFXZVSDNGKLUMA-LLVKDONJSA-N 0 0 197.278 2.118 10 30 AEEERN C[C@@H]1C=CC2=CC(=O)CC[C@@H]2C1 145131259 573558933 /nfs/dbraw/zinc/55/89/33/573558933.db2.gz BNRMWBVMJULGFI-RKDXNWHRSA-N 0 0 162.232 2.488 10 30 AEEERN CN[C@@H](S)c1c[nH]c2ccccc12 259507790 573559021 /nfs/dbraw/zinc/55/90/21/573559021.db2.gz SLKGMYBVHSMCKX-JTQLQIEISA-N 0 0 192.287 2.316 10 30 AEEERN Cc1c(C#N)cc(C(F)F)nc1C=O 238440285 573559083 /nfs/dbraw/zinc/55/90/83/573559083.db2.gz JZDRJWDYZSTMOR-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=C[C@@](C)(C(=C)C)[C@@H](C)O 238440188 573559160 /nfs/dbraw/zinc/55/91/60/573559160.db2.gz YAXVFJFAVKHKRD-BDAKNGLRSA-N 0 0 140.226 2.136 10 30 AEEERN C=C(C)C(=O)/C(C)=C/C 145132617 573559397 /nfs/dbraw/zinc/55/93/97/573559397.db2.gz NNSFBVCZOHPQEF-FNORWQNLSA-N 0 0 124.183 2.098 10 30 AEEERN C[C@H]1C=CC2=CC(=O)CC[C@@H]2C1 145131048 573560797 /nfs/dbraw/zinc/56/07/97/573560797.db2.gz BNRMWBVMJULGFI-DTWKUNHWSA-N 0 0 162.232 2.488 10 30 AEEERN CN(C)c1cccc2cc(C#N)cnc12 257830634 573560939 /nfs/dbraw/zinc/56/09/39/573560939.db2.gz JABSNXQYBQPYOW-UHFFFAOYSA-N 0 0 197.241 2.172 10 30 AEEERN CC1(C)C[C@H](CC#N)CCO1 107398381 573561536 /nfs/dbraw/zinc/56/15/36/573561536.db2.gz CZDLWYQHFDSKFH-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN Cc1nc(-c2cc[nH]c2)sc1C#N 259112495 573561581 /nfs/dbraw/zinc/56/15/81/573561581.db2.gz BJMBBVUSHPPWKO-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C[C@@H]1SCC[C@H]1CCC#N 107399161 573561941 /nfs/dbraw/zinc/56/19/41/573561941.db2.gz KXVDOOUZYCHLBW-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN COc1nccc2ccc(C#N)cc12 258061920 573562032 /nfs/dbraw/zinc/56/20/32/573562032.db2.gz LNYLJXWMAPOOBR-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN C[C@H]1SCC[C@H]1CCC#N 107399158 573562041 /nfs/dbraw/zinc/56/20/41/573562041.db2.gz KXVDOOUZYCHLBW-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN CC1=C(OC(C)(C)C)CCC1=O 145173194 573562327 /nfs/dbraw/zinc/56/23/27/573562327.db2.gz UVBIEZWSHUEGRG-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN C[C@@H]1C=CC2=CC(=O)CC[C@H]2C1 145130857 573562374 /nfs/dbraw/zinc/56/23/74/573562374.db2.gz BNRMWBVMJULGFI-BDAKNGLRSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC[C@@H](CO)c1ccccc1OC 308621420 573562450 /nfs/dbraw/zinc/56/24/50/573562450.db2.gz FSVSAXSJHXUPLP-JTQLQIEISA-N 0 0 192.258 2.347 10 30 AEEERN CCC(C)C(=O)C(=O)c1ccccc1 308623268 573562495 /nfs/dbraw/zinc/56/24/95/573562495.db2.gz HMLASJOSIONYHL-KBNZMGLGSA-N 0 0 190.242 2.255 10 30 AEEERN CC[C@@H]1C[C@H](CC#N)CCO1 107398370 573563160 /nfs/dbraw/zinc/56/31/60/573563160.db2.gz GGKHANOWTOCBJD-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CC#CCCC(=O)[C@@H](CCC)OC 131882737 573563164 /nfs/dbraw/zinc/56/31/64/573563164.db2.gz BDQKQEDHINHVEF-LLVKDONJSA-N 0 0 182.263 2.174 10 30 AEEERN CC(=O)c1c(C#N)cc2cccc(C)n12 259512523 573563170 /nfs/dbraw/zinc/56/31/70/573563170.db2.gz ACKUVJUGGBFNEN-UHFFFAOYSA-N 0 0 198.225 2.322 10 30 AEEERN C[C@@H](O)[C@](C)(C#N)Cc1ccccc1 238440295 573563239 /nfs/dbraw/zinc/56/32/39/573563239.db2.gz LGZRMYKPIVBDDI-PWSUYJOCSA-N 0 0 189.258 2.140 10 30 AEEERN CCC(C)C(=O)C(=O)c1ccccc1 308623266 573563240 /nfs/dbraw/zinc/56/32/40/573563240.db2.gz HMLASJOSIONYHL-AHAUYKDXSA-N 0 0 190.242 2.255 10 30 AEEERN CC(C)(C#N)CCCCN1CCCO1 308622058 573563320 /nfs/dbraw/zinc/56/33/20/573563320.db2.gz WTLCSDNOVRCCFU-UHFFFAOYSA-N 0 0 196.294 2.344 10 30 AEEERN CC[C@H](C)Sc1ccc(C#N)nn1 306653848 573563351 /nfs/dbraw/zinc/56/33/51/573563351.db2.gz JGLPCLUQVYVPHO-ZETCQYMHSA-N 0 0 193.275 2.239 10 30 AEEERN Cc1ccsc1N(C)[C@@H](C)C#N 258774713 573563388 /nfs/dbraw/zinc/56/33/88/573563388.db2.gz KUXHIACQLQTVOV-QMMMGPOBSA-N 0 0 180.276 2.405 10 30 AEEERN C=C(C)C1(CO)Cc2ccccc2C1 145139484 573563481 /nfs/dbraw/zinc/56/34/81/573563481.db2.gz UYZKJEPEAIHLDS-UHFFFAOYSA-N 0 0 188.270 2.340 10 30 AEEERN CC[C@H]1C[C@H](CC#N)CCO1 107398372 573563848 /nfs/dbraw/zinc/56/38/48/573563848.db2.gz GGKHANOWTOCBJD-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H]1C[C@@H](CCC#N)CCO1 107398395 573563915 /nfs/dbraw/zinc/56/39/15/573563915.db2.gz ZOCYQLGOKCHFCU-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1C[C@H](CCC#N)CCO1 107398386 573564025 /nfs/dbraw/zinc/56/40/25/573564025.db2.gz ZOCYQLGOKCHFCU-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CCOc1cccc([C@H](F)C=O)c1 257831087 573564175 /nfs/dbraw/zinc/56/41/75/573564175.db2.gz JLRLJYDGVXKANE-SNVBAGLBSA-N 0 0 182.194 2.295 10 30 AEEERN C=C[C@H](C)C/C=C/[C@H](C)O 238432835 573564197 /nfs/dbraw/zinc/56/41/97/573564197.db2.gz XNLHHMRRVAFUBC-NHELSVQFSA-N 0 0 140.226 2.136 10 30 AEEERN CN[C@@H](CC#N)c1ccccc1C 259512109 573564211 /nfs/dbraw/zinc/56/42/11/573564211.db2.gz SVEODWUKJPXIDJ-NSHDSACASA-N 0 0 174.247 2.169 10 30 AEEERN N#Cc1cccc(C=Cc2c[nH]cn2)c1 308620862 573564265 /nfs/dbraw/zinc/56/42/65/573564265.db2.gz WWLZKJGNUQBZFE-SNAWJCMRSA-N 0 0 195.225 2.452 10 30 AEEERN CO/C=C\C#C[C@H](O)C1CCCCC1 308623306 573564364 /nfs/dbraw/zinc/56/43/64/573564364.db2.gz HQODDDXWRFOZDL-GYGFLDJKSA-N 0 0 194.274 2.091 10 30 AEEERN C[C@H]1SCC[C@@H]1CCC#N 107399164 573564646 /nfs/dbraw/zinc/56/46/46/573564646.db2.gz KXVDOOUZYCHLBW-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN C[C@H]1C[C@H](CCC#N)CCO1 107398389 573564675 /nfs/dbraw/zinc/56/46/75/573564675.db2.gz ZOCYQLGOKCHFCU-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN C=CC1=C(C)C(=O)CC[C@H]1C 238432440 573564689 /nfs/dbraw/zinc/56/46/89/573564689.db2.gz SNLFXFPXGBJSST-SSDOTTSWSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@H](C)NC1=CC(=O)CC(C)(C)C1 238433131 573564805 /nfs/dbraw/zinc/56/48/05/573564805.db2.gz FHSBCZUDPLRBTG-VIFPVBQESA-N 0 0 193.290 2.424 10 30 AEEERN CO/C=C\C#C[C@@H](O)C1CCCCC1 308623307 573564862 /nfs/dbraw/zinc/56/48/62/573564862.db2.gz HQODDDXWRFOZDL-XTOZHPGHSA-N 0 0 194.274 2.091 10 30 AEEERN Cc1ccc(C)c2c(C#N)n[nH]c12 259512614 573564978 /nfs/dbraw/zinc/56/49/78/573564978.db2.gz CDLLYJZPESKUPI-UHFFFAOYSA-N 0 0 171.203 2.051 10 30 AEEERN C[C@@H](CC#N)N1CC2(CCCC2)C1 86681220 573565062 /nfs/dbraw/zinc/56/50/62/573565062.db2.gz QFDYQFMKKMXSPO-JTQLQIEISA-N 0 0 178.279 2.165 10 30 AEEERN Cc1ccc(C)n1C[C@H](C)C#N 86681420 573565091 /nfs/dbraw/zinc/56/50/91/573565091.db2.gz RRXCDFKLOJIZEZ-MRVPVSSYSA-N 0 0 162.236 2.265 10 30 AEEERN C[C@@H]1C[C@@H](CCC#N)CCO1 107398392 573565186 /nfs/dbraw/zinc/56/51/86/573565186.db2.gz ZOCYQLGOKCHFCU-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H](C#N)CN1CC2(CCCC2)C1 86681428 573565214 /nfs/dbraw/zinc/56/52/14/573565214.db2.gz WDUPARKRRMMFAA-JTQLQIEISA-N 0 0 178.279 2.022 10 30 AEEERN Cc1ccc(C)n1CCC#N 86681358 573566136 /nfs/dbraw/zinc/56/61/36/573566136.db2.gz XEKPSRWNRUUZSV-UHFFFAOYSA-N 0 0 148.209 2.019 10 30 AEEERN Cc1cc([C@H](C)CC=O)ccc1O 258064422 573566218 /nfs/dbraw/zinc/56/62/18/573566218.db2.gz SZZUSEIQDAUFPV-MRVPVSSYSA-N 0 0 178.231 2.393 10 30 AEEERN CC[C@H](CC#N)N1CC(C)(C)C1 86681524 573566295 /nfs/dbraw/zinc/56/62/95/573566295.db2.gz AIYWLCKJBGGQEL-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN C=CC(=O)c1cccc(C(C)=O)c1 224338777 573566312 /nfs/dbraw/zinc/56/63/12/573566312.db2.gz BOCMIPIMGSQJRD-UHFFFAOYSA-N 0 0 174.199 2.258 10 30 AEEERN C=CCC1(CC=C)[C@@H](O)CCC[C@H]1O 308633412 573566342 /nfs/dbraw/zinc/56/63/42/573566342.db2.gz WUOCAGMUVKHBAX-PHIMTYICSA-N 0 0 196.290 2.031 10 30 AEEERN CC(=O)[C@H]1CCC2=C([C@@H](C=O)C2)[C@@H]1C 238432275 573566396 /nfs/dbraw/zinc/56/63/96/573566396.db2.gz ZODBDHBQPVQRHF-ONOSFVFSSA-N 0 0 192.258 2.137 10 30 AEEERN C[C@@H]1CCN1c1ccc(CC#N)cc1 86681269 573566406 /nfs/dbraw/zinc/56/64/06/573566406.db2.gz BUODXJHZZNTBKC-SNVBAGLBSA-N 0 0 186.258 2.351 10 30 AEEERN C=C(C(C)C)[C@H](O)[C@@H](O)/C=C\CCC 308625591 573566415 /nfs/dbraw/zinc/56/64/15/573566415.db2.gz KUYWHCVSUOQBNV-XPOJSHTGSA-N 0 0 198.306 2.277 10 30 AEEERN C[C@@H]1Oc2ccccc2[C@@H]1C#N 238432586 573566421 /nfs/dbraw/zinc/56/64/21/573566421.db2.gz IJQNCOAPXCXZJN-IONNQARKSA-N 0 0 159.188 2.075 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1n1cccc1 86681578 573566455 /nfs/dbraw/zinc/56/64/55/573566455.db2.gz MYTKQAUAPNKAQP-UWVGGRQHSA-N 0 0 160.220 2.353 10 30 AEEERN C=C[C@@H](C)[NH2+][C@H](CC)c1cncn1C 308626012 573566540 /nfs/dbraw/zinc/56/65/40/573566540.db2.gz WHRQKUXAUWYARY-NXEZZACHSA-N 0 0 193.294 2.035 10 30 AEEERN N#C[C@@H]1CCC[C@H]1n1cccc1 86681576 573566562 /nfs/dbraw/zinc/56/65/62/573566562.db2.gz MYTKQAUAPNKAQP-VHSXEESVSA-N 0 0 160.220 2.353 10 30 AEEERN N#Cc1cc(-c2cncs2)ns1 259512324 573566567 /nfs/dbraw/zinc/56/65/67/573566567.db2.gz WERCISRCBLGRTG-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN CC1=C(OC(C)(C)C)[C@@H](C)C1=O 238432772 573566604 /nfs/dbraw/zinc/56/66/04/573566604.db2.gz TWAWEEICEKCYIH-LURJTMIESA-N 0 0 168.236 2.294 10 30 AEEERN CCC[C@@H](OC)C(=O)C1=COCCC1 131885700 573566685 /nfs/dbraw/zinc/56/66/85/573566685.db2.gz GBDSIOZQXOOJNN-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN N#Cc1oncc1-c1cccs1 259512431 573566710 /nfs/dbraw/zinc/56/67/10/573566710.db2.gz WHZKVGIOHDPWFQ-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN CCc1ncc(CC#N)cc1Cl 145203586 573566844 /nfs/dbraw/zinc/56/68/44/573566844.db2.gz KBQGNCIIMQTYJS-UHFFFAOYSA-N 0 0 180.638 2.363 10 30 AEEERN CC(C)[C@H](C#N)n1cccc1 86681643 573566881 /nfs/dbraw/zinc/56/68/81/573566881.db2.gz DOQKVCZIVJYIOI-VIFPVBQESA-N 0 0 148.209 2.209 10 30 AEEERN CCO/C(=C\C#CC[C@@H](C)O)C(C)C 308625551 573566923 /nfs/dbraw/zinc/56/69/23/573566923.db2.gz KQFWHFWVTVYXDP-ZGSOTFDTSA-N 0 0 196.290 2.337 10 30 AEEERN C=CC/C=C/C[C@H](C)CO 238432419 573566925 /nfs/dbraw/zinc/56/69/25/573566925.db2.gz WPTVZFLSLTZBDV-CYNONHLPSA-N 0 0 140.226 2.137 10 30 AEEERN CCOc1cccc([C@@H](F)C=O)c1 257831086 573567010 /nfs/dbraw/zinc/56/70/10/573567010.db2.gz JLRLJYDGVXKANE-JTQLQIEISA-N 0 0 182.194 2.295 10 30 AEEERN C=C1OC(C)=C(C(C)=O)[C@H]1C 238432301 573567049 /nfs/dbraw/zinc/56/70/49/573567049.db2.gz BGGOMATZOWZATN-YFKPBYRVSA-N 0 0 152.193 2.029 10 30 AEEERN O=CCC[C@@H]1CCCSC1 107400153 573567874 /nfs/dbraw/zinc/56/78/74/573567874.db2.gz XIPFRTVKUVQFMF-MRVPVSSYSA-N 0 0 158.266 2.109 10 30 AEEERN CON=C(C)C[C@@H](O)c1ccccc1 308624755 573567912 /nfs/dbraw/zinc/56/79/12/573567912.db2.gz JOKVPQLWJGBRJI-LLVKDONJSA-N 0 0 193.246 2.132 10 30 AEEERN C=C[C@H](C)[NH2+][C@@H](CC)c1cncn1C 308626013 573567941 /nfs/dbraw/zinc/56/79/41/573567941.db2.gz WHRQKUXAUWYARY-UWVGGRQHSA-N 0 0 193.294 2.035 10 30 AEEERN Cc1ccccc1[C@H]1C[C@H]1C=O 75422229 573567943 /nfs/dbraw/zinc/56/79/43/573567943.db2.gz GYGHQWPSFZREAR-ONGXEEELSA-N 0 0 160.216 2.297 10 30 AEEERN N#C[C@H]1CCC[C@H]1N1CC2(CCC2)C1 86681548 573567955 /nfs/dbraw/zinc/56/79/55/573567955.db2.gz OQEBTTFRHPEHSC-GHMZBOCLSA-N 0 0 190.290 2.165 10 30 AEEERN Cc1ccc(C)n1C(C)(C)C#N 86681125 573568024 /nfs/dbraw/zinc/56/80/24/573568024.db2.gz SSQCPDIRZFJWSQ-UHFFFAOYSA-N 0 0 162.236 2.364 10 30 AEEERN C[C@H](CC#N)N1CC(C(C)(C)C)C1 86681175 573568044 /nfs/dbraw/zinc/56/80/44/573568044.db2.gz KTAVDIKOMDIRFW-SECBINFHSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@H](CC#N)n1cccc1 86681482 573568085 /nfs/dbraw/zinc/56/80/85/573568085.db2.gz YWAROBQCHXQIBT-SECBINFHSA-N 0 0 148.209 2.353 10 30 AEEERN C=C[C@@H](C)[NH2+][C@@H](CC)c1cncn1C 308626015 573569480 /nfs/dbraw/zinc/56/94/80/573569480.db2.gz WHRQKUXAUWYARY-ZJUUUORDSA-N 0 0 193.294 2.035 10 30 AEEERN C=C[C@H](C)[NH2+][C@H](CC)c1cncn1C 308626014 573569057 /nfs/dbraw/zinc/56/90/57/573569057.db2.gz WHRQKUXAUWYARY-VHSXEESVSA-N 0 0 193.294 2.035 10 30 AEEERN CC[C@@H](CC#N)N1CC(C)(C)C1 86681523 573569068 /nfs/dbraw/zinc/56/90/68/573569068.db2.gz AIYWLCKJBGGQEL-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H](CC#N)N1CC2(CCC2)C1 86681469 573569096 /nfs/dbraw/zinc/56/90/96/573569096.db2.gz LCONIQDDQBVKQQ-JTQLQIEISA-N 0 0 178.279 2.165 10 30 AEEERN Cn1ccc(C#N)c1C(C)(C)C 259513831 573569118 /nfs/dbraw/zinc/56/91/18/573569118.db2.gz CGLFIPWWRWTTKF-UHFFFAOYSA-N 0 0 162.236 2.194 10 30 AEEERN CC(C)[C@@H](C#N)n1cccc1 86681641 573569129 /nfs/dbraw/zinc/56/91/29/573569129.db2.gz DOQKVCZIVJYIOI-SECBINFHSA-N 0 0 148.209 2.209 10 30 AEEERN C[C@@H](C#N)CN1CC2(CCCCC2)C1 86681408 573569139 /nfs/dbraw/zinc/56/91/39/573569139.db2.gz XZSVYBVHDVWZOF-NSHDSACASA-N 0 0 192.306 2.412 10 30 AEEERN C[C@H]1SCC[C@H]1CCC=O 107400140 573569186 /nfs/dbraw/zinc/56/91/86/573569186.db2.gz FMZSDJFCOGOIBH-HTQZYQBOSA-N 0 0 158.266 2.107 10 30 AEEERN Cc1ccccc1[C@H]1C[C@@H]1C=O 75422227 573569200 /nfs/dbraw/zinc/56/92/00/573569200.db2.gz GYGHQWPSFZREAR-KOLCDFICSA-N 0 0 160.216 2.297 10 30 AEEERN N#CC1([C@H](O)C2CCCCC2)CC1 197056908 573569230 /nfs/dbraw/zinc/56/92/30/573569230.db2.gz YYZXWKHKDYMGKT-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN CCc1nc2c([nH]1)[C@@H](CC#N)CCC2 259615630 573569238 /nfs/dbraw/zinc/56/92/38/573569238.db2.gz GZVZHHMWQIQPSG-MRVPVSSYSA-N 0 0 189.262 2.306 10 30 AEEERN O=CCCC1CCSCC1 107400148 573569251 /nfs/dbraw/zinc/56/92/51/573569251.db2.gz LNESNVDXYSWFJZ-UHFFFAOYSA-N 0 0 158.266 2.109 10 30 AEEERN CCC[C@H](OC)C(=O)C1=COCCC1 131885481 573569461 /nfs/dbraw/zinc/56/94/61/573569461.db2.gz GBDSIOZQXOOJNN-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C[C@H](CS)Nc1ccccc1 238444237 573569305 /nfs/dbraw/zinc/56/93/05/573569305.db2.gz CESBWYIQHXRBHN-MRVPVSSYSA-N 0 0 167.277 2.417 10 30 AEEERN C[C@@H]1SCC[C@H]1CCC=O 107400142 573569331 /nfs/dbraw/zinc/56/93/31/573569331.db2.gz FMZSDJFCOGOIBH-JGVFFNPUSA-N 0 0 158.266 2.107 10 30 AEEERN C[C@H](C=O)[C@](C)(C#N)c1ccccc1 238444139 573569466 /nfs/dbraw/zinc/56/94/66/573569466.db2.gz URVPFDGWCYCBPK-PWSUYJOCSA-N 0 0 187.242 2.303 10 30 AEEERN C[C@H](C=O)[C@@H]1C[C@@H](C)C(C)(C)O1 238433482 573569349 /nfs/dbraw/zinc/56/93/49/573569349.db2.gz GRWYZSXUUONTSD-HLTSFMKQSA-N 0 0 170.252 2.025 10 30 AEEERN CC1(C)CN([C@@H]2CCC[C@@H]2C#N)C1 86681624 573569423 /nfs/dbraw/zinc/56/94/23/573569423.db2.gz JVTZJUGUHQMJCD-NXEZZACHSA-N 0 0 178.279 2.020 10 30 AEEERN C=CC(=O)[C@@H]1CCC=C[C@@H]1C 238443981 573571634 /nfs/dbraw/zinc/57/16/34/573571634.db2.gz OXQDKLVUGGCCNH-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN Cc1cc(CN[C@H](C)C#N)sc1C 83633616 573572654 /nfs/dbraw/zinc/57/26/54/573572654.db2.gz YVFUVLAUDBOASL-MRVPVSSYSA-N 0 0 194.303 2.367 10 30 AEEERN CCC[C@@H]1O[C@H]1[C@H](O)c1ccccc1 308625847 573570438 /nfs/dbraw/zinc/57/04/38/573570438.db2.gz LHJZLWKNQVWVMJ-QJPTWQEYSA-N 0 0 192.258 2.288 10 30 AEEERN C[C@H](C=O)[C@@H]1C=Cc2ccccc2O1 238444124 573570426 /nfs/dbraw/zinc/57/04/26/573570426.db2.gz CCJFSAWODWKBEI-KOLCDFICSA-N 0 0 188.226 2.296 10 30 AEEERN Cc1cc([C@@H](C)CC=O)ccc1O 258064427 573570620 /nfs/dbraw/zinc/57/06/20/573570620.db2.gz SZZUSEIQDAUFPV-QMMMGPOBSA-N 0 0 178.231 2.393 10 30 AEEERN CN(C)c1ccc([C@H]2C[C@H]2C=O)cc1 75422197 573570630 /nfs/dbraw/zinc/57/06/30/573570630.db2.gz VYDYXUPQFLKZQJ-CMPLNLGQSA-N 0 0 189.258 2.055 10 30 AEEERN CC[C@@H](O)CCc1ccccc1C#N 238270825 573570635 /nfs/dbraw/zinc/57/06/35/573570635.db2.gz VRPSPPXQJCKIKU-GFCCVEGCSA-N 0 0 189.258 2.262 10 30 AEEERN C[C@H]1C[C@@H](C(F)(F)F)O[C@@H](C#N)C1 259514301 573572686 /nfs/dbraw/zinc/57/26/86/573572686.db2.gz AGSMWUDHQYPXPJ-QYNIQEEDSA-N 0 0 193.168 2.256 10 30 AEEERN Cc1ccsc1CCN(C)CC#N 258779327 573570680 /nfs/dbraw/zinc/57/06/80/573570680.db2.gz IJBRCEJDTLWEAU-UHFFFAOYSA-N 0 0 194.303 2.054 10 30 AEEERN C=CCC[C@@]1(C=O)C[C@H]1C 238444387 573570755 /nfs/dbraw/zinc/57/07/55/573570755.db2.gz ITQWILBZWWWXGT-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[Si](C)(C)/C=C/[C@H](C)O 238433549 573570790 /nfs/dbraw/zinc/57/07/90/573570790.db2.gz FHKOETAITCKCRK-ORZBULNSSA-N 0 0 170.328 2.357 10 30 AEEERN CCCCCCC(=O)C(C#N)C#N 133750148 573570912 /nfs/dbraw/zinc/57/09/12/573570912.db2.gz ISGRWMHXTDRKJF-UHFFFAOYSA-N 0 0 178.235 2.189 10 30 AEEERN Cc1cccc([C@@H]2C[C@H]2C=O)c1 75422216 573570965 /nfs/dbraw/zinc/57/09/65/573570965.db2.gz OTUIZVBLLABHKQ-QWRGUYRKSA-N 0 0 160.216 2.297 10 30 AEEERN CC[C@H]1C[C@@H](CCC#N)CCO1 107403498 573570967 /nfs/dbraw/zinc/57/09/67/573570967.db2.gz WBGPYNNENFSUOE-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CN(C)c1ccc([C@H]2C[C@@H]2C=O)cc1 75422195 573571059 /nfs/dbraw/zinc/57/10/59/573571059.db2.gz VYDYXUPQFLKZQJ-ZYHUDNBSSA-N 0 0 189.258 2.055 10 30 AEEERN N#CC[C@H]1Sc2ccccc2[C@H]1O 259516027 573571120 /nfs/dbraw/zinc/57/11/20/573571120.db2.gz ALNSZEOACZETHT-NXEZZACHSA-N 0 0 191.255 2.108 10 30 AEEERN Cc1cc(-c2ccsn2)[nH]c1C#N 259515865 573571205 /nfs/dbraw/zinc/57/12/05/573571205.db2.gz AJLNMBDRJUAJRP-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN CC1=C(/C=C\[C@H](C)O)C(C)(C)CC1=O 308633553 573571221 /nfs/dbraw/zinc/57/12/21/573571221.db2.gz WYUKRBINJOITEO-SLGIHZDVSA-N 0 0 194.274 2.239 10 30 AEEERN C[C@@H]1CCCC(=O)[C@@H]1CCC#N 238443843 573571240 /nfs/dbraw/zinc/57/12/40/573571240.db2.gz QTZYNXFFXHBKAT-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN Cc1cn2c(CCC#N)cnc2s1 259515901 573571292 /nfs/dbraw/zinc/57/12/92/573571292.db2.gz AJSGTMFWIUUJEZ-UHFFFAOYSA-N 0 0 191.259 2.160 10 30 AEEERN Cc1c(C(=O)C#N)[nH]c2c(C)cccc12 259514295 573571307 /nfs/dbraw/zinc/57/13/07/573571307.db2.gz AGRPGGGHOLYIHC-UHFFFAOYSA-N 0 0 198.225 2.491 10 30 AEEERN N#CC[C@@H]1Sc2ccccc2[C@H]1O 259516031 573571379 /nfs/dbraw/zinc/57/13/79/573571379.db2.gz ALNSZEOACZETHT-VHSXEESVSA-N 0 0 191.255 2.108 10 30 AEEERN N#CC1([C@@H](O)C2CCCCC2)CC1 197056891 573571506 /nfs/dbraw/zinc/57/15/06/573571506.db2.gz YYZXWKHKDYMGKT-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN C=C(C)[C@H]1CC[C@H](C)C1=O 238433226 573571717 /nfs/dbraw/zinc/57/17/17/573571717.db2.gz QGJUGXJZLYULLC-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C=O)[C@H]1OCCc2ccccc21 238444079 573571745 /nfs/dbraw/zinc/57/17/45/573571745.db2.gz VRXZOCXPIQHDKX-BXKDBHETSA-N 0 0 190.242 2.135 10 30 AEEERN O=C[C@@H]1C[C@H]1c1ccc(F)cc1F 75422279 573571763 /nfs/dbraw/zinc/57/17/63/573571763.db2.gz MQHCJJRTGGKQMJ-IMTBSYHQSA-N 0 0 182.169 2.267 10 30 AEEERN O=C[C@@H]1C[C@@H]1c1ccc(F)cc1F 75422280 573571821 /nfs/dbraw/zinc/57/18/21/573571821.db2.gz MQHCJJRTGGKQMJ-RCOVLWMOSA-N 0 0 182.169 2.267 10 30 AEEERN C[C@H]1C(=O)CCC2=C1CCCC2=O 238433326 573571903 /nfs/dbraw/zinc/57/19/03/573571903.db2.gz JSSRQELEEPAJDA-SSDOTTSWSA-N 0 0 178.231 2.035 10 30 AEEERN C[C@@H]1CC[C@@H](C(C)(C)C#N)[C@H](O)C1 83632208 573571976 /nfs/dbraw/zinc/57/19/76/573571976.db2.gz YBXWRWKJQJRPNF-OPRDCNLKSA-N 0 0 181.279 2.333 10 30 AEEERN O=C[C@H]1C[C@H]1c1ccc(F)c(F)c1 75422273 573572048 /nfs/dbraw/zinc/57/20/48/573572048.db2.gz UYYPPOWZXOPPKC-SFYZADRCSA-N 0 0 182.169 2.267 10 30 AEEERN CC[C@@H]1C[C@H](CCC#N)CCO1 107403492 573572092 /nfs/dbraw/zinc/57/20/92/573572092.db2.gz WBGPYNNENFSUOE-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN O=C[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 75422276 573572151 /nfs/dbraw/zinc/57/21/51/573572151.db2.gz UYYPPOWZXOPPKC-JGVFFNPUSA-N 0 0 182.169 2.267 10 30 AEEERN CC1(C)C[C@H](CCC#N)CCO1 107403501 573572308 /nfs/dbraw/zinc/57/23/08/573572308.db2.gz LKEBRBLOVGYWRF-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN COc1ccc(F)cc1[C@@H]1O[C@@H]1C 258783331 573572339 /nfs/dbraw/zinc/57/23/39/573572339.db2.gz MDTAHBFJRKEXRY-LHLIQPBNSA-N 0 0 182.194 2.294 10 30 AEEERN CC(=O)/C=C/C[C@H]1CC[C@H](CO)CC1 308634647 573572360 /nfs/dbraw/zinc/57/23/60/573572360.db2.gz XTHBCMMGSNBULC-UHEACOROSA-N 0 0 196.290 2.320 10 30 AEEERN COc1ccc(F)cc1[C@H]1O[C@H]1C 258783337 573572383 /nfs/dbraw/zinc/57/23/83/573572383.db2.gz MDTAHBFJRKEXRY-WKEGUHRASA-N 0 0 182.194 2.294 10 30 AEEERN CC[C@@H]1C[C@@H](CCC#N)CCO1 107403496 573572439 /nfs/dbraw/zinc/57/24/39/573572439.db2.gz WBGPYNNENFSUOE-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CC(=O)/C=C\C[C@H]1CC[C@H](CO)CC1 308634645 573572471 /nfs/dbraw/zinc/57/24/71/573572471.db2.gz XTHBCMMGSNBULC-QWXMRKGQSA-N 0 0 196.290 2.320 10 30 AEEERN C=CC[C@@H]1C(=O)[C@@H](C)C[C@@H]1C 238433703 573572639 /nfs/dbraw/zinc/57/26/39/573572639.db2.gz XBYSLVODDDRCKJ-CIUDSAMLSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)(C=O)c1ccc2c(c1)OCC2 257832493 573573948 /nfs/dbraw/zinc/57/39/48/573573948.db2.gz JVPJSCAZUAXWQJ-UHFFFAOYSA-N 0 0 190.242 2.098 10 30 AEEERN C[C@@H]1C[C@H](C#N)O[C@@H](C(F)(F)F)C1 259514299 573574113 /nfs/dbraw/zinc/57/41/13/573574113.db2.gz AGSMWUDHQYPXPJ-FSDSQADBSA-N 0 0 193.168 2.256 10 30 AEEERN N#C[C@@H]1CCSc2ccc(O)cc21 259514250 573574225 /nfs/dbraw/zinc/57/42/25/573574225.db2.gz AFMOKKOOFBELOS-ZETCQYMHSA-N 0 0 191.255 2.495 10 30 AEEERN N#Cc1cscc1Cc1cocn1 259514341 573574812 /nfs/dbraw/zinc/57/48/12/573574812.db2.gz AHQPSEGNVVBFAD-UHFFFAOYSA-N 0 0 190.227 2.199 10 30 AEEERN N#CCc1cc2c3c(c1)CCN3CCC2 259514088 573574412 /nfs/dbraw/zinc/57/44/12/573574412.db2.gz PDLKQZGCKFQXCC-UHFFFAOYSA-N 0 0 198.269 2.061 10 30 AEEERN CC1(C)CN(C(C)(C)C#N)CCS1 306423920 573574459 /nfs/dbraw/zinc/57/44/59/573574459.db2.gz BVZDYVHYVYEXLD-UHFFFAOYSA-N 0 0 198.335 2.116 10 30 AEEERN C[C@@H]1C[C@@H](C#N)O[C@@H](C(F)(F)F)C1 259514297 573574520 /nfs/dbraw/zinc/57/45/20/573574520.db2.gz AGSMWUDHQYPXPJ-DSYKOEDSSA-N 0 0 193.168 2.256 10 30 AEEERN CC1=CC(=O)[C@@]2(CC1)C[C@H]2C 238444953 573574634 /nfs/dbraw/zinc/57/46/34/573574634.db2.gz ZQRNCIXTQCDITG-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@]1(C(=O)c2ccccc2)C[C@@H]1C=O 238444942 573574648 /nfs/dbraw/zinc/57/46/48/573574648.db2.gz ZRTDTJVXHGEZEE-PWSUYJOCSA-N 0 0 188.226 2.094 10 30 AEEERN C[C@]12CCC(=O)C=C1C[C@H](CO)CC2 238445790 573575676 /nfs/dbraw/zinc/57/56/76/573575676.db2.gz KXYOGHXCBOHVRR-SKDRFNHKSA-N 0 0 194.274 2.074 10 30 AEEERN N#Cc1c[nH]c(C(=O)c2ccccc2)c1 259615661 573575682 /nfs/dbraw/zinc/57/56/82/573575682.db2.gz HAEKEFVNMSOLQQ-UHFFFAOYSA-N 0 0 196.209 2.117 10 30 AEEERN N#CCNc1coc2ccccc12 258792886 573575742 /nfs/dbraw/zinc/57/57/42/573575742.db2.gz MKGHGRVNXPDSDC-UHFFFAOYSA-N 0 0 172.187 2.368 10 30 AEEERN Cc1c(CC#N)cc(=O)[nH]c1C(F)F 238444936 573575762 /nfs/dbraw/zinc/57/57/62/573575762.db2.gz ZSENZBRXIAUGCX-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN N#CCc1cnc(-c2ccccc2)cn1 259517462 573575895 /nfs/dbraw/zinc/57/58/95/573575895.db2.gz APWFUMSZCUCKKZ-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN Cc1c(C(F)F)c[nH]c(=O)c1CC#N 238444559 573575904 /nfs/dbraw/zinc/57/59/04/573575904.db2.gz JSWSODJEZYXPRB-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CC(C)c1nn(C)c(Cl)c1CC#N 214920307 573575917 /nfs/dbraw/zinc/57/59/17/573575917.db2.gz DOGOFTGFQWCPTE-UHFFFAOYSA-N 0 0 197.669 2.263 10 30 AEEERN COc1c(CC#N)ccc(O)c1Cl 214914715 573575939 /nfs/dbraw/zinc/57/59/39/573575939.db2.gz LBQPVTPSLAXKSM-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN Cc1ccccc1N(C)CC[C@H]1CO1 308636350 573576029 /nfs/dbraw/zinc/57/60/29/573576029.db2.gz BAKAPZJIMJPJSJ-NSHDSACASA-N 0 0 191.274 2.220 10 30 AEEERN COc1ccc(O)c(CC#N)c1Cl 214914567 573576035 /nfs/dbraw/zinc/57/60/35/573576035.db2.gz CONJHOLWEPRRFQ-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN N#Cc1cnc2c(c1C#N)CCCCC2 259517281 573576626 /nfs/dbraw/zinc/57/66/26/573576626.db2.gz AMBJOLCUKHXJOL-UHFFFAOYSA-N 0 0 197.241 2.094 10 30 AEEERN Cc1cc(C(=O)CC#N)sc1C 83631506 573576193 /nfs/dbraw/zinc/57/61/93/573576193.db2.gz ODNULYHVGLALFZ-UHFFFAOYSA-N 0 0 179.244 2.461 10 30 AEEERN C[C@@H]1CC[C@H](C(C)(C)C#N)[C@H](O)C1 83632203 573576203 /nfs/dbraw/zinc/57/62/03/573576203.db2.gz YBXWRWKJQJRPNF-KXUCPTDWSA-N 0 0 181.279 2.333 10 30 AEEERN CN(CC#N)c1cn(C)c2ccccc12 258790596 573576231 /nfs/dbraw/zinc/57/62/31/573576231.db2.gz MIPLEWUVCYEQKZ-UHFFFAOYSA-N 0 0 199.257 2.138 10 30 AEEERN Cc1nc(C)c([C@H](O)CCC#N)s1 259517277 573576508 /nfs/dbraw/zinc/57/65/08/573576508.db2.gz AMBGUIRTBPNJRO-MRVPVSSYSA-N 0 0 196.275 2.097 10 30 AEEERN C=CC[C@H]1CC[C@H](C)C1=O 144415055 573577694 /nfs/dbraw/zinc/57/76/94/573577694.db2.gz RJOCPTRUTXNMKT-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1[nH]c(CS)nc1-c1ccco1 258789369 573577696 /nfs/dbraw/zinc/57/76/96/573577696.db2.gz VLHFOUXVFZCCLW-UHFFFAOYSA-N 0 0 194.259 2.408 10 30 AEEERN Cc1c(C(F)F)ncc(O)c1CC#N 238444533 573577710 /nfs/dbraw/zinc/57/77/10/573577710.db2.gz AHBVOKJIRQZITG-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CCn1ncc(C(C)(C)C#N)c1Cl 214920865 573577897 /nfs/dbraw/zinc/57/78/97/573577897.db2.gz MMLYQAWSYJKECL-UHFFFAOYSA-N 0 0 197.669 2.358 10 30 AEEERN Cc1cc(C)c(N(C)CC=O)cc1C 258795331 573577898 /nfs/dbraw/zinc/57/78/98/573577898.db2.gz CWFRQQURKPEWSQ-UHFFFAOYSA-N 0 0 191.274 2.247 10 30 AEEERN COc1ccc(Cl)c(CC#N)c1O 214914143 573578098 /nfs/dbraw/zinc/57/80/98/573578098.db2.gz WPFIILLYBHWURH-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN C[C@H]1C[C@H]2C[C@H](C=CC2=O)C1 238441016 573578184 /nfs/dbraw/zinc/57/81/84/573578184.db2.gz FCQUDKAEQKKNRJ-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1ccnn1CCC(C)(C)C#N 83640463 573578355 /nfs/dbraw/zinc/57/83/55/573578355.db2.gz BTZMNHLYBSCSPU-UHFFFAOYSA-N 0 0 177.251 2.131 10 30 AEEERN Cc1cccc(Nc2cc(C#N)[nH]n2)c1 259615110 573578264 /nfs/dbraw/zinc/57/82/64/573578264.db2.gz DUJCNZVEOUNQOL-UHFFFAOYSA-N 0 0 198.229 2.333 10 30 AEEERN C[C@@H](C#N)N(C)c1cc(F)ccc1F 258795730 573579692 /nfs/dbraw/zinc/57/96/92/573579692.db2.gz MUEBDAHMWYAUOL-ZETCQYMHSA-N 0 0 196.200 2.313 10 30 AEEERN CN(CC=O)c1coc2ccccc12 258795496 573578378 /nfs/dbraw/zinc/57/83/78/573578378.db2.gz CYGAATWUCCTEAE-UHFFFAOYSA-N 0 0 189.214 2.068 10 30 AEEERN COc1cc(Cl)c(O)c(CC#N)c1 214914003 573578402 /nfs/dbraw/zinc/57/84/02/573578402.db2.gz MYYNJYHBEABKFA-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN CC1=C[C@H](C)[C@H]2CC=C(C2)C1=O 238441344 573578443 /nfs/dbraw/zinc/57/84/43/573578443.db2.gz VSNDLTGHCVVNRA-HGNGGELXSA-N 0 0 162.232 2.344 10 30 AEEERN CC(C)CC1(C2(C#N)CC2)COC1 258789425 573578466 /nfs/dbraw/zinc/57/84/66/573578466.db2.gz VNKJGRPPUFESSU-UHFFFAOYSA-N 0 0 179.263 2.353 10 30 AEEERN C=CCS[C@@H](C)[C@@H](C)C(=O)OC 213366305 573578495 /nfs/dbraw/zinc/57/84/95/573578495.db2.gz NULVPYNVNOQMCB-SFYZADRCSA-N 0 0 188.292 2.103 10 30 AEEERN N#C[C@@H]1CCNc2c(F)cccc2C1 259517385 573578571 /nfs/dbraw/zinc/57/85/71/573578571.db2.gz ANOMCHASHHQTFJ-MRVPVSSYSA-N 0 0 190.221 2.324 10 30 AEEERN C[C@H](C=O)C1C=CC=CC=C1 238441033 573578663 /nfs/dbraw/zinc/57/86/63/573578663.db2.gz QZEPUMCDSYOAMR-SECBINFHSA-N 0 0 148.205 2.120 10 30 AEEERN C=CC[C@@H]1CC[C@H](C)C1=O 144414791 573579878 /nfs/dbraw/zinc/57/98/78/573579878.db2.gz RJOCPTRUTXNMKT-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)=CC(=O)c1ccc(F)cn1 86704366 573578898 /nfs/dbraw/zinc/57/88/98/573578898.db2.gz UKXPLGQDEKKCQX-UHFFFAOYSA-N 0 0 179.194 2.370 10 30 AEEERN CC(C)c1onc([C@H](C)C#N)c1C#N 259615267 573578905 /nfs/dbraw/zinc/57/89/05/573578905.db2.gz GLHNSDCJLYKEIB-SSDOTTSWSA-N 0 0 189.218 2.297 10 30 AEEERN CC1=C[C@H](C)[C@@H]2C=CC[C@@H]2C1=O 238441398 573578986 /nfs/dbraw/zinc/57/89/86/573578986.db2.gz QJPXPOPDEMFJDT-HGNGGELXSA-N 0 0 162.232 2.344 10 30 AEEERN COc1cc(CC#N)c(O)cc1Cl 214913931 573578998 /nfs/dbraw/zinc/57/89/98/573578998.db2.gz NANMAXFCJFAXFS-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN N#CCc1cnn(C2CCCCC2)c1 257833005 573579171 /nfs/dbraw/zinc/57/91/71/573579171.db2.gz JWMRLGDYKJOQAP-UHFFFAOYSA-N 0 0 189.262 2.454 10 30 AEEERN C[C@@H]1C=C[C@@H](CC=O)CC1 238440866 573579234 /nfs/dbraw/zinc/57/92/34/573579234.db2.gz KMAQKAXQIZJXSM-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=C(C)C[C@@H]2C(=O)C=C[C@@H]2C1 144304200 573579460 /nfs/dbraw/zinc/57/94/60/573579460.db2.gz ATDAWVPQNAWHFT-ZJUUUORDSA-N 0 0 162.232 2.488 10 30 AEEERN Cc1c(C=O)ncc(C#N)c1C(F)F 238440651 573579335 /nfs/dbraw/zinc/57/93/35/573579335.db2.gz UAKLIPSHYOHFQA-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN CC1=C[C@H](C)[C@H]2C=CC[C@@H]2C1=O 238441411 573579484 /nfs/dbraw/zinc/57/94/84/573579484.db2.gz QJPXPOPDEMFJDT-SFGNSQDASA-N 0 0 162.232 2.344 10 30 AEEERN C[C@@H]1CCC2=C1C(=O)CC2 238440645 573579497 /nfs/dbraw/zinc/57/94/97/573579497.db2.gz YBZMAZWUXKPVAK-ZCFIWIBFSA-N 0 0 136.194 2.076 10 30 AEEERN C#CC[C@@](C)(O)C[C@H](O)CCCCC 308636827 573579557 /nfs/dbraw/zinc/57/95/57/573579557.db2.gz ZRJIELJTVXGPLC-VXGBXAGGSA-N 0 0 198.306 2.092 10 30 AEEERN C[C@H]1CC[C@H](CC=O)C(C)(C)C1=O 238440837 573579564 /nfs/dbraw/zinc/57/95/64/573579564.db2.gz HWXIDZAKCLLTIM-DTWKUNHWSA-N 0 0 182.263 2.217 10 30 AEEERN CC(C)Cn1ncc(Cl)c1CC#N 214920166 573579569 /nfs/dbraw/zinc/57/95/69/573579569.db2.gz CSKXHPFJXIDKBW-UHFFFAOYSA-N 0 0 197.669 2.259 10 30 AEEERN COc1cc(Cl)cc(CC#N)c1O 214914285 573579766 /nfs/dbraw/zinc/57/97/66/573579766.db2.gz XYBMFTBCLOQXDS-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN CC(C)c1onc([C@@H](C)C#N)c1C#N 259615270 573580064 /nfs/dbraw/zinc/58/00/64/573580064.db2.gz GLHNSDCJLYKEIB-ZETCQYMHSA-N 0 0 189.218 2.297 10 30 AEEERN C[C@@H]1C=C[C@@H]([C@@H](C)C=O)CC1 238445594 573580079 /nfs/dbraw/zinc/58/00/79/573580079.db2.gz KNIJNDKZBZGZLH-KXUCPTDWSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H](C#N)N(C)c1cc(F)ccc1F 258795728 573580082 /nfs/dbraw/zinc/58/00/82/573580082.db2.gz MUEBDAHMWYAUOL-SSDOTTSWSA-N 0 0 196.200 2.313 10 30 AEEERN C=CC[C@@H]1CC[C@@H](C)C1=O 144414609 573580191 /nfs/dbraw/zinc/58/01/91/573580191.db2.gz RJOCPTRUTXNMKT-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)(C#N)CCn1cccc1 83640452 573580204 /nfs/dbraw/zinc/58/02/04/573580204.db2.gz OAJLSUKNWOPXCH-UHFFFAOYSA-N 0 0 162.236 2.428 10 30 AEEERN CCC(C)(C)CNC(C)(C)C#N 258798532 573582870 /nfs/dbraw/zinc/58/28/70/573582870.db2.gz NBNYDFYTEUUKIZ-UHFFFAOYSA-N 0 0 168.284 2.314 10 30 AEEERN CCCc1ccn2ncc(C#N)c2c1 259615156 573580245 /nfs/dbraw/zinc/58/02/45/573580245.db2.gz GJPWTZXPYCZRQX-UHFFFAOYSA-N 0 0 185.230 2.158 10 30 AEEERN Cc1ccn(CCC(C)(C)C#N)n1 83640462 573580330 /nfs/dbraw/zinc/58/03/30/573580330.db2.gz KVVNBLREPVUTQR-UHFFFAOYSA-N 0 0 177.251 2.131 10 30 AEEERN Cc1nc(C)c([C@@H](O)CCC#N)s1 259517279 573580515 /nfs/dbraw/zinc/58/05/15/573580515.db2.gz AMBGUIRTBPNJRO-QMMMGPOBSA-N 0 0 196.275 2.097 10 30 AEEERN C[C@@H]1C(=O)C=CC(C)(C)[C@@H]1C 238441163 573580616 /nfs/dbraw/zinc/58/06/16/573580616.db2.gz GTRHOYCRSOKTAD-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN CSc1ccc(C#N)c(C#N)c1 144365830 573580623 /nfs/dbraw/zinc/58/06/23/573580623.db2.gz PHNPHLPLLJCMAX-UHFFFAOYSA-N 0 0 174.228 2.152 10 30 AEEERN C[C@@H]1C(=O)C=CN[C@H]1c1ccccc1 238441175 573580666 /nfs/dbraw/zinc/58/06/66/573580666.db2.gz XVPBQZAHNOSDKY-BXKDBHETSA-N 0 0 187.242 2.050 10 30 AEEERN Cc1noc(C)c1-c1cc[nH]c1C#N 259615371 573580757 /nfs/dbraw/zinc/58/07/57/573580757.db2.gz GMSFGPVCOAZRFN-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN C[C@@H]1C=CC(=O)CC=CC1 238440996 573581015 /nfs/dbraw/zinc/58/10/15/573581015.db2.gz XRAJWCVZDVRANF-LHXPGFTESA-N 0 0 136.194 2.098 10 30 AEEERN Cc1c(CC#N)cncc1C(F)F 238445489 573581296 /nfs/dbraw/zinc/58/12/96/573581296.db2.gz AQHODDYJLYYNLK-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=C[C@@H]1CCC(=O)[C@H](C)[C@@H]1C 238440991 573581336 /nfs/dbraw/zinc/58/13/36/573581336.db2.gz PAYCZAZWHVRQAL-DJLDLDEBSA-N 0 0 152.237 2.424 10 30 AEEERN O=CCc1cc2ccc(F)cc2[nH]1 258066177 573581436 /nfs/dbraw/zinc/58/14/36/573581436.db2.gz GNXMSHLBDKLREV-UHFFFAOYSA-N 0 0 177.178 2.048 10 30 AEEERN CC=CC(=O)C=Cc1ccc(N)cc1 308402554 573581509 /nfs/dbraw/zinc/58/15/09/573581509.db2.gz YYMZNADRFNDZFS-TWGQIWQCSA-N 0 0 187.242 2.427 10 30 AEEERN N#CC[C@H]1CO[C@H](C2CCCCC2)O1 258804825 573581520 /nfs/dbraw/zinc/58/15/20/573581520.db2.gz QUAYDZVEHSWVEO-QWRGUYRKSA-N 0 0 195.262 2.222 10 30 AEEERN C[C@@H]1CC[C@@H](CC=O)C(C)(C)C1=O 238442098 573583586 /nfs/dbraw/zinc/58/35/86/573583586.db2.gz HWXIDZAKCLLTIM-BDAKNGLRSA-N 0 0 182.263 2.217 10 30 AEEERN C=CC[C@H]1CC[C@@H](C)C1=O 144414950 573581603 /nfs/dbraw/zinc/58/16/03/573581603.db2.gz RJOCPTRUTXNMKT-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@@H](C#N)C(=O)C1 238440594 573581623 /nfs/dbraw/zinc/58/16/23/573581623.db2.gz NVOFVQXWNZFCDM-IWSPIJDZSA-N 0 0 165.236 2.151 10 30 AEEERN CCC(CC)C(=O)OCCCC#N 308402820 573581625 /nfs/dbraw/zinc/58/16/25/573581625.db2.gz HYEYESGHVRPUAV-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C=C1C(=O)C2(C)[C@@H](C)C1(C)[C@@H]2C 238441114 573581978 /nfs/dbraw/zinc/58/19/78/573581978.db2.gz BMKHKXPWXGIJFB-GHQHZXSUSA-N 0 0 164.248 2.424 10 30 AEEERN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@@H]1C 238441026 573582240 /nfs/dbraw/zinc/58/22/40/573582240.db2.gz CZUYJUUMDUMIDE-YIZRAAEISA-N 0 0 152.237 2.424 10 30 AEEERN CC(=O)C1=CC(C)=C[C@@H]1C 238441456 573582310 /nfs/dbraw/zinc/58/23/10/573582310.db2.gz CKYSCAAVORICRL-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN C#CC[C@@H]1CC[C@@H](C)[C@@H](C)C1=O 238441575 573582316 /nfs/dbraw/zinc/58/23/16/573582316.db2.gz ZMBUPQZLDJWEDZ-OPRDCNLKSA-N 0 0 164.248 2.261 10 30 AEEERN Cc1c(C=O)ncc(C(F)F)c1C#N 238440671 573582369 /nfs/dbraw/zinc/58/23/69/573582369.db2.gz WPPQCFOZFGKOOJ-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN CCc1ccc(C2(S)COC2)cc1 258800419 573582388 /nfs/dbraw/zinc/58/23/88/573582388.db2.gz WTQDZRUJIVYNFK-UHFFFAOYSA-N 0 0 194.299 2.404 10 30 AEEERN CCc1ccc(OC)c([C@H](N)S)c1 259516622 573582396 /nfs/dbraw/zinc/58/23/96/573582396.db2.gz RXDDODCGUSYREJ-SNVBAGLBSA-N 0 0 197.303 2.145 10 30 AEEERN O=C[C@H]1CCSc2ccccc21 107409750 573582453 /nfs/dbraw/zinc/58/24/53/573582453.db2.gz PVUFOBVRDLBHQE-MRVPVSSYSA-N 0 0 178.256 2.465 10 30 AEEERN CC(C)=C[C@H](C)[C@H](C)C=O 238441371 573582510 /nfs/dbraw/zinc/58/25/10/573582510.db2.gz IGNKNDCAFMTQBK-DTWKUNHWSA-N 0 0 140.226 2.424 10 30 AEEERN N#CC[C@@H]1CO[C@H](C2CCCCC2)O1 258804822 573582676 /nfs/dbraw/zinc/58/26/76/573582676.db2.gz QUAYDZVEHSWVEO-MNOVXSKESA-N 0 0 195.262 2.222 10 30 AEEERN O=C[C@@H]1CCSc2ccccc21 107409747 573582677 /nfs/dbraw/zinc/58/26/77/573582677.db2.gz PVUFOBVRDLBHQE-QMMMGPOBSA-N 0 0 178.256 2.465 10 30 AEEERN C[C@H](C=O)c1ccc2c(c1)CCCO2 257833094 573582763 /nfs/dbraw/zinc/58/27/63/573582763.db2.gz KAUJHWXGGGBVMJ-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN C/C=C\COc1ccc(N)cc1C#N 308403699 573582843 /nfs/dbraw/zinc/58/28/43/573582843.db2.gz GHVDYXVBACFLRY-IHWYPQMZSA-N 0 0 188.230 2.095 10 30 AEEERN Cc1ccccc1C(=O)C1(C#N)CC1 259114812 573582910 /nfs/dbraw/zinc/58/29/10/573582910.db2.gz IFSPCLVSGREWAH-UHFFFAOYSA-N 0 0 185.226 2.482 10 30 AEEERN COc1c(C#N)cccc1SC 238441796 573583022 /nfs/dbraw/zinc/58/30/22/573583022.db2.gz URIQYSVEZBCREP-UHFFFAOYSA-N 0 0 179.244 2.289 10 30 AEEERN CC[C@H](C)ON=C(C)[C@@H]1CCCO1 308403841 573583055 /nfs/dbraw/zinc/58/30/55/573583055.db2.gz ILVVZKVOMBMFJK-WPRPVWTQSA-N 0 0 185.267 2.356 10 30 AEEERN C[C@H](C=O)[C@@H](O)c1ccccc1Cl 238442046 573583113 /nfs/dbraw/zinc/58/31/13/573583113.db2.gz NTIVHOCOLKVMOQ-GMSGAONNSA-N 0 0 198.649 2.208 10 30 AEEERN CC[C@@H](C)ON=C(C)[C@@H]1CCCO1 308403839 573583558 /nfs/dbraw/zinc/58/35/58/573583558.db2.gz ILVVZKVOMBMFJK-SCZZXKLOSA-N 0 0 185.267 2.356 10 30 AEEERN N#CC[C@H]1CO[C@@H](C2CCCCC2)O1 258804829 573584623 /nfs/dbraw/zinc/58/46/23/573584623.db2.gz QUAYDZVEHSWVEO-WDEREUQCSA-N 0 0 195.262 2.222 10 30 AEEERN CC1(C)C[C@@]1(C#N)C1CC1 259516395 573585082 /nfs/dbraw/zinc/58/50/82/573585082.db2.gz CQLOIMVLQXKHGZ-SECBINFHSA-N 0 0 135.210 2.336 10 30 AEEERN C=C1C[C@@H]2C(=O)CC[C@@H]2[C@@H]1C 238442018 573584510 /nfs/dbraw/zinc/58/45/10/573584510.db2.gz ACXFTHINQIURNV-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN N#CCCCc1ccc(N)cc1F 144444439 573584527 /nfs/dbraw/zinc/58/45/27/573584527.db2.gz DUFQHZPBOSNDLQ-UHFFFAOYSA-N 0 0 178.210 2.254 10 30 AEEERN C=CCC1=CCC[C@@H](C)C1=O 238441941 573584552 /nfs/dbraw/zinc/58/45/52/573584552.db2.gz ITCBPVWKUWCTGQ-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@H](C#N)OC(=O)CCC(C)C 308403078 573584822 /nfs/dbraw/zinc/58/48/22/573584822.db2.gz IAOMEWPFJKKPMR-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN C[C@H](C=O)[C@@H]1OCCc2ccccc21 238442883 573584908 /nfs/dbraw/zinc/58/49/08/573584908.db2.gz VRXZOCXPIQHDKX-SKDRFNHKSA-N 0 0 190.242 2.135 10 30 AEEERN Cc1ccc(-c2c(C)noc2C#N)cn1 259516577 573584983 /nfs/dbraw/zinc/58/49/83/573584983.db2.gz RXTKBIACJUHDKF-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C[C@@]12CCC[C@H]1CC=CC2=O 238441764 573585010 /nfs/dbraw/zinc/58/50/10/573585010.db2.gz GVYPRINVENBDIT-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@]1(C)C[C@@H](C)C(=O)[C@@H]1C 238442699 573585020 /nfs/dbraw/zinc/58/50/20/573585020.db2.gz BYOGJJUEVPPVJN-KHQFGBGNSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@](F)(C=O)c1ccccc1 144454626 573585200 /nfs/dbraw/zinc/58/52/00/573585200.db2.gz VUSSZJCDZPXGLN-JTQLQIEISA-N 0 0 166.195 2.460 10 30 AEEERN N#Cc1[nH]cc(C=O)c1-c1ccccc1 259519138 573585226 /nfs/dbraw/zinc/58/52/26/573585226.db2.gz ASUQKVWDMINNGJ-UHFFFAOYSA-N 0 0 196.209 2.366 10 30 AEEERN C[C@H]1C=CC(=O)[C@@H]1C(C)(C)C 238442740 573585235 /nfs/dbraw/zinc/58/52/35/573585235.db2.gz CDBWNJHILGIMED-IONNQARKSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@]12C=CC(=O)[C@@]1(C)CCC2 238442857 573585258 /nfs/dbraw/zinc/58/52/58/573585258.db2.gz KEOSULODEPBIRK-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=C[C@@H](C)/C=C/C(=O)CC1 238442597 573585295 /nfs/dbraw/zinc/58/52/95/573585295.db2.gz QRJSBFRJPKOMIT-LNSIDCTPSA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@H](C)ON=C(C)[C@H]1CCCO1 308403840 573585429 /nfs/dbraw/zinc/58/54/29/573585429.db2.gz ILVVZKVOMBMFJK-WCBMZHEXSA-N 0 0 185.267 2.356 10 30 AEEERN CC1=C[C@H](C)[C@@H]2CCOC[C@@]2(C=O)C1 238441864 573586544 /nfs/dbraw/zinc/58/65/44/573586544.db2.gz QVKVZCQDEFEHBH-SRVKXCTJSA-N 0 0 194.274 2.194 10 30 AEEERN N#CC[C@@H]1CO[C@@H](C2CCCCC2)O1 258804818 573586587 /nfs/dbraw/zinc/58/65/87/573586587.db2.gz QUAYDZVEHSWVEO-GHMZBOCLSA-N 0 0 195.262 2.222 10 30 AEEERN SCCNc1ccc2ncoc2c1 258797502 573586595 /nfs/dbraw/zinc/58/65/95/573586595.db2.gz DEGLTNQRVLEWLX-UHFFFAOYSA-N 0 0 194.259 2.170 10 30 AEEERN O=CCc1ccc(C(F)F)cc1 124694045 573586701 /nfs/dbraw/zinc/58/67/01/573586701.db2.gz XEFJXQHWDUVRFV-UHFFFAOYSA-N 0 0 170.158 2.366 10 30 AEEERN C[C@H](C=O)[C@@H]1C=CC1(C)C 238442131 573586769 /nfs/dbraw/zinc/58/67/69/573586769.db2.gz UHEXBNTZUNDMMF-SFYZADRCSA-N 0 0 138.210 2.034 10 30 AEEERN SCCC1(c2ccccc2)COC1 258798266 573586856 /nfs/dbraw/zinc/58/68/56/573586856.db2.gz NBJFERGLXGZVFT-UHFFFAOYSA-N 0 0 194.299 2.275 10 30 AEEERN N#CCc1nccc2c1cc1n2CCC1 259615489 573586892 /nfs/dbraw/zinc/58/68/92/573586892.db2.gz GYELWPSYTQWQEA-UHFFFAOYSA-N 0 0 197.241 2.049 10 30 AEEERN COc1c(C)cc(C)cc1NCC#N 258798244 573587019 /nfs/dbraw/zinc/58/70/19/573587019.db2.gz MYSVTKRCUPQUGY-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN C[C@@H]1c2ccccc2[C@H](O)[C@@H]1CC#N 238443089 573588340 /nfs/dbraw/zinc/58/83/40/573588340.db2.gz KHGWVDFFDKZPRN-HLUHBDAQSA-N 0 0 187.242 2.367 10 30 AEEERN C=CCCCCCCCC(=O)CO 238684033 573588350 /nfs/dbraw/zinc/58/83/50/573588350.db2.gz JBQYSGFFKPWGRP-UHFFFAOYSA-N 0 0 184.279 2.465 10 30 AEEERN Cc1ccc(CN[C@@H](C)C#N)c(C)c1 258805709 573588373 /nfs/dbraw/zinc/58/83/73/573588373.db2.gz NSHILANBQWTVOD-NSHDSACASA-N 0 0 188.274 2.305 10 30 AEEERN C=CC[C@@H]1C(=O)CC[C@H]1CCCCO 213376188 573588403 /nfs/dbraw/zinc/58/84/03/573588403.db2.gz MUAJQQYBHSZIIL-MNOVXSKESA-N 0 0 196.290 2.320 10 30 AEEERN C[C@H]1C=CC2=CC(=O)CCC[C@H]21 238443106 573588451 /nfs/dbraw/zinc/58/84/51/573588451.db2.gz OESLFLZYBYZCFH-KWQFWETISA-N 0 0 162.232 2.488 10 30 AEEERN CON=C[C@H](C)Cc1ccccc1 308404632 573588508 /nfs/dbraw/zinc/58/85/08/573588508.db2.gz JBRKPDGOVPUFNC-SNVBAGLBSA-N 0 0 177.247 2.497 10 30 AEEERN C[C@@H]1CCCC(=O)[C@@H](C#N)CC1 238443687 573588519 /nfs/dbraw/zinc/58/85/19/573588519.db2.gz RGMPMGKMSXEOQX-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN C/C=C\COc1ccc(C#N)cc1N 308405155 573588579 /nfs/dbraw/zinc/58/85/79/573588579.db2.gz KZSPSSDZBMSCFG-IHWYPQMZSA-N 0 0 188.230 2.095 10 30 AEEERN C[C@@H]1c2ccccc2[C@@H](O)[C@@H]1CC#N 238443107 573588604 /nfs/dbraw/zinc/58/86/04/573588604.db2.gz KHGWVDFFDKZPRN-UISBYWKRSA-N 0 0 187.242 2.367 10 30 AEEERN C[C@H]1C=CC2=CC(=O)CCC[C@@H]21 238443133 573588637 /nfs/dbraw/zinc/58/86/37/573588637.db2.gz OESLFLZYBYZCFH-GZMMTYOYSA-N 0 0 162.232 2.488 10 30 AEEERN C#CC(=O)[C@]1(C)CCC[C@@H]1C 238454965 573588659 /nfs/dbraw/zinc/58/86/59/573588659.db2.gz NBVCTZNQUFAOBJ-WCBMZHEXSA-N 0 0 150.221 2.015 10 30 AEEERN C=C[C@H](O)[C@H]1CCC=C[C@@H]1C 238443745 573589440 /nfs/dbraw/zinc/58/94/40/573589440.db2.gz YTXNKQAUSDYVNW-GUBZILKMSA-N 0 0 152.237 2.136 10 30 AEEERN C[C@@H]1C(=NNCC2CC2)C[C@H]1C 393538742 573589483 /nfs/dbraw/zinc/58/94/83/573589483.db2.gz CCSPFSQDXHTIQZ-SFYZADRCSA-N 0 0 166.268 2.018 10 30 AEEERN C[C@H](C=O)[C@H](O)c1ccccc1Cl 238443648 573590279 /nfs/dbraw/zinc/59/02/79/573590279.db2.gz NTIVHOCOLKVMOQ-XCBNKYQSSA-N 0 0 198.649 2.208 10 30 AEEERN C[C@@]12CCC[C@]1(C)[C@H](C=O)C2 238442975 573589516 /nfs/dbraw/zinc/58/95/16/573589516.db2.gz ZLIPONHBVVIWQN-LPEHRKFASA-N 0 0 152.237 2.402 10 30 AEEERN C=CC[C@H]1C(=O)CC[C@@H]1CCCCO 213376247 573589726 /nfs/dbraw/zinc/58/97/26/573589726.db2.gz MUAJQQYBHSZIIL-WDEREUQCSA-N 0 0 196.290 2.320 10 30 AEEERN CC(C)[C@@H](C#N)CNc1cc[nH]c1 259116802 573589735 /nfs/dbraw/zinc/58/97/35/573589735.db2.gz XZVWNOHZMWLWOK-VIFPVBQESA-N 0 0 177.251 2.222 10 30 AEEERN CO[C@@H](C)c1ccccc1CC#N 259522015 573589830 /nfs/dbraw/zinc/58/98/30/573589830.db2.gz QKUPJPSXYLMKTL-VIFPVBQESA-N 0 0 175.231 2.460 10 30 AEEERN C=C[C@@](C)(O)c1ccccc1[C@H](C)O 238443730 573589836 /nfs/dbraw/zinc/58/98/36/573589836.db2.gz UCLYTWIHRYPBLF-JOYOIKCWSA-N 0 0 192.258 2.133 10 30 AEEERN CN(CC1(C#N)CC1)c1cccs1 258809643 573589867 /nfs/dbraw/zinc/58/98/67/573589867.db2.gz BJKAIWPFIIUZHJ-UHFFFAOYSA-N 0 0 192.287 2.488 10 30 AEEERN Cc1ccc(CN[C@@H](C)C#N)cc1C 258811113 573589936 /nfs/dbraw/zinc/58/99/36/573589936.db2.gz OCVKVRSEBYYXBW-NSHDSACASA-N 0 0 188.274 2.305 10 30 AEEERN C=C(Cc1ccccn1)OCC 238274972 573589942 /nfs/dbraw/zinc/58/99/42/573589942.db2.gz YQTPSQXEQGMCIY-UHFFFAOYSA-N 0 0 163.220 2.174 10 30 AEEERN CON=C[C@@H](C)Cc1ccccc1 308404631 573589954 /nfs/dbraw/zinc/58/99/54/573589954.db2.gz JBRKPDGOVPUFNC-JTQLQIEISA-N 0 0 177.247 2.497 10 30 AEEERN C[C@@H]1C=C[C@H](C)[C@@](C)(C=O)C1 238454958 573590025 /nfs/dbraw/zinc/59/00/25/573590025.db2.gz RGHWEYJUKPTFAV-KXUCPTDWSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H]1CCC=C[C@H]1CC=O 238443069 573590045 /nfs/dbraw/zinc/59/00/45/573590045.db2.gz BQBRYTNIZCYYAQ-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN N#CCCCCOc1ccccn1 393539234 573590101 /nfs/dbraw/zinc/59/01/01/573590101.db2.gz QMAOWFDNISKGET-UHFFFAOYSA-N 0 0 176.219 2.154 10 30 AEEERN C=CC[C@H]1C(=O)CC[C@H]1CCCCO 213376124 573590126 /nfs/dbraw/zinc/59/01/26/573590126.db2.gz MUAJQQYBHSZIIL-GHMZBOCLSA-N 0 0 196.290 2.320 10 30 AEEERN N#C[C@H]1CCc2nc3ccccc3n2C1 259519037 573590220 /nfs/dbraw/zinc/59/02/20/573590220.db2.gz ASCMGDWGCCUDEX-SECBINFHSA-N 0 0 197.241 2.122 10 30 AEEERN Cc1cc2cccc(C#N)c2n1C 259520888 573590241 /nfs/dbraw/zinc/59/02/41/573590241.db2.gz AFVJKMUTYATGGT-UHFFFAOYSA-N 0 0 170.215 2.358 10 30 AEEERN C=C(C)CNN=CCCCC 393538727 573591289 /nfs/dbraw/zinc/59/12/89/573591289.db2.gz VSJQSOTVBVGOKI-UHFFFAOYSA-N 0 0 154.257 2.328 10 30 AEEERN N#C[C@H]1CCc2cc(F)cc(F)c2O1 259521151 573591145 /nfs/dbraw/zinc/59/11/45/573591145.db2.gz KYWPQGQHGIBNMY-MRVPVSSYSA-N 0 0 195.168 2.182 10 30 AEEERN C=C[C@](C)(O)c1ccccc1[C@H](C)O 238443695 573591155 /nfs/dbraw/zinc/59/11/55/573591155.db2.gz UCLYTWIHRYPBLF-CABZTGNLSA-N 0 0 192.258 2.133 10 30 AEEERN C[C@@H]1C(=O)CCC(C)(C)[C@@H]1CC=O 238443768 573591195 /nfs/dbraw/zinc/59/11/95/573591195.db2.gz TYHPGCJOWYGLET-DTWKUNHWSA-N 0 0 182.263 2.217 10 30 AEEERN C[C@@H]1C=C[C@@H](C)[C@@](C)(C=O)C1 238454972 573591502 /nfs/dbraw/zinc/59/15/02/573591502.db2.gz RGHWEYJUKPTFAV-OPRDCNLKSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1nc2cscc2c(N)c1C#N 259519003 573591635 /nfs/dbraw/zinc/59/16/35/573591635.db2.gz AROVOGVOHURVMY-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN CCC1([C@@H](C#N)C(C)C)COC1 258809352 573591645 /nfs/dbraw/zinc/59/16/45/573591645.db2.gz XRXOEMKCOFGMFC-VIFPVBQESA-N 0 0 167.252 2.209 10 30 AEEERN CC(C)=C[C@@H](C)[C@H](C)C=O 238443105 573591663 /nfs/dbraw/zinc/59/16/63/573591663.db2.gz IGNKNDCAFMTQBK-RKDXNWHRSA-N 0 0 140.226 2.424 10 30 AEEERN Cc1cccc(-c2noc(C#N)c2C)n1 259518619 573591788 /nfs/dbraw/zinc/59/17/88/573591788.db2.gz SDNHNRNOJUUAFH-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C=C[C@H](O)[C@H]1C(=O)CC[C@H]1CCCC 308631627 573591792 /nfs/dbraw/zinc/59/17/92/573591792.db2.gz VEVCJOCUHVWJHC-SCVCMEIPSA-N 0 0 196.290 2.319 10 30 AEEERN N#C[C@@H]1CCS[C@H]1c1cccnc1 259519061 573591922 /nfs/dbraw/zinc/59/19/22/573591922.db2.gz ASGIBOUIVPBAOW-WCBMZHEXSA-N 0 0 190.271 2.399 10 30 AEEERN CC1=CCC[C@H](C#N)C1 75520115 573593649 /nfs/dbraw/zinc/59/36/49/573593649.db2.gz VPHBOFGVMJNACH-QMMMGPOBSA-N 0 0 121.183 2.256 10 30 AEEERN CC(=O)/C(=C/c1ccccc1)[C@H](C)O 308632277 573594811 /nfs/dbraw/zinc/59/48/11/573594811.db2.gz VTUJHGDQMXJNPC-KWINOFQJSA-N 0 0 190.242 2.040 10 30 AEEERN C[C@H](CC=O)c1cc(N)c(F)c(F)c1 259522132 573594885 /nfs/dbraw/zinc/59/48/85/573594885.db2.gz QOFPPGPKNCPTHV-ZCFIWIBFSA-N 0 0 199.200 2.240 10 30 AEEERN C=CCC[C@]1(C=O)C[C@@H]1C 238456463 573595086 /nfs/dbraw/zinc/59/50/86/573595086.db2.gz ITQWILBZWWWXGT-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1[C@@H](C)[C@@H]1C(=O)C(C)(C)C 238456186 573594958 /nfs/dbraw/zinc/59/49/58/573594958.db2.gz FYLPPYRORLBXDA-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN C#CC[C@@H](NN)C(CCC)CCC 126632197 573594961 /nfs/dbraw/zinc/59/49/61/573594961.db2.gz OQBCSMHWCABADD-LLVKDONJSA-N 0 0 182.311 2.058 10 30 AEEERN CC(C)C(C)(C)CC=O 75523207 573595036 /nfs/dbraw/zinc/59/50/36/573595036.db2.gz LLEUTPZRRXZQRC-UHFFFAOYSA-N 0 0 128.215 2.258 10 30 AEEERN C=C[C@H](C#N)CC(=C)C 75520113 573595276 /nfs/dbraw/zinc/59/52/76/573595276.db2.gz XODLROISHOLQMF-QMMMGPOBSA-N 0 0 121.183 2.278 10 30 AEEERN C#C[C@@H](O)/C(=C/c1ccccc1)CC 308631683 573595350 /nfs/dbraw/zinc/59/53/50/573595350.db2.gz VNZBMGSHDOICIJ-RSKUSDAESA-N 0 0 186.254 2.474 10 30 AEEERN Nc1cccc(C2(CS)CC2)c1 259523531 573595370 /nfs/dbraw/zinc/59/53/70/573595370.db2.gz AOFBEJLLNKFOIH-UHFFFAOYSA-N 0 0 179.288 2.230 10 30 AEEERN CS[C@@H]1CC[C@@H](N(C)[C@H](C)C#N)C1 687962352 573595429 /nfs/dbraw/zinc/59/54/29/573595429.db2.gz PEMPDJVVXYGYDN-OPRDCNLKSA-N 0 0 198.335 2.114 10 30 AEEERN C#CCN(CC)c1ccc(C=O)s1 130479428 573595535 /nfs/dbraw/zinc/59/55/35/573595535.db2.gz FENQXYYVUDUWAR-UHFFFAOYSA-N 0 0 193.271 2.020 10 30 AEEERN C=C(C)[C@@H]1C(=O)C[C@H](C)[C@@H]1C 238455623 573595837 /nfs/dbraw/zinc/59/58/37/573595837.db2.gz CPNFMOZXEONTIK-NRPADANISA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H]1[C@@H](C)C(=O)C=CC1(C)C 238455515 573595998 /nfs/dbraw/zinc/59/59/98/573595998.db2.gz GTRHOYCRSOKTAD-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)Cc1nc(C#N)c(C2CC2)[nH]1 259520775 573596069 /nfs/dbraw/zinc/59/60/69/573596069.db2.gz AVXFLALXKJJEQV-UHFFFAOYSA-N 0 0 189.262 2.357 10 30 AEEERN C#CC(=O)N(CCCC)[C@H](C)CC 308405815 573596203 /nfs/dbraw/zinc/59/62/03/573596203.db2.gz JPOSMBMRZRBIQF-SNVBAGLBSA-N 0 0 181.279 2.047 10 30 AEEERN N#CC[C@@H]1CC(=O)c2sccc2C1 259522509 573596521 /nfs/dbraw/zinc/59/65/21/573596521.db2.gz BAQPLMQHJYIQBT-ZETCQYMHSA-N 0 0 191.255 2.407 10 30 AEEERN CCC(CC)[C@@]1(C)CO1 146592105 573596550 /nfs/dbraw/zinc/59/65/50/573596550.db2.gz QDFPZFYEFSMWTF-MRVPVSSYSA-N 0 0 128.215 2.212 10 30 AEEERN Cc1ccc(Cc2nc(C#N)co2)cc1 259520746 573596633 /nfs/dbraw/zinc/59/66/33/573596633.db2.gz AUJAIXGCHGKHHJ-UHFFFAOYSA-N 0 0 198.225 2.446 10 30 AEEERN O=C(C[C@H]1CCOC1)C1=CCCCC1 236388287 573596713 /nfs/dbraw/zinc/59/67/13/573596713.db2.gz ZGQGODLESORJQK-SNVBAGLBSA-N 0 0 194.274 2.483 10 30 AEEERN C[C@H]1CCC[C@@]12CC=CC2=O 238455304 573596732 /nfs/dbraw/zinc/59/67/32/573596732.db2.gz RBAQMSXYGYZEIG-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN N#CC[C@@H]1CCO[C@H]2CCSC[C@@H]21 259522543 573596844 /nfs/dbraw/zinc/59/68/44/573596844.db2.gz BBIVBVQLBFGUMW-BBBLOLIVSA-N 0 0 197.303 2.058 10 30 AEEERN O=C(C1=CCCCC1)c1ccncn1 236392910 573597805 /nfs/dbraw/zinc/59/78/05/573597805.db2.gz TVJDJVIDBJWEFR-UHFFFAOYSA-N 0 0 188.230 2.160 10 30 AEEERN CC(C)C[C@@H](CC#N)c1nccn1C 259522419 573597617 /nfs/dbraw/zinc/59/76/17/573597617.db2.gz AYWKCWBWNXZKEK-SNVBAGLBSA-N 0 0 191.278 2.463 10 30 AEEERN Cc1csc2ncc(CCC#N)n12 259520710 573597641 /nfs/dbraw/zinc/59/76/41/573597641.db2.gz AUAUUEQJAIOFKP-UHFFFAOYSA-N 0 0 191.259 2.160 10 30 AEEERN COc1cc(C#N)c2cnsc2c1 238457134 573597651 /nfs/dbraw/zinc/59/76/51/573597651.db2.gz DRJOZXPLKOMXSW-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN O=C(C1=CCCCC1)c1cnccn1 236392939 573597656 /nfs/dbraw/zinc/59/76/56/573597656.db2.gz OYSKUFABFDMWHK-UHFFFAOYSA-N 0 0 188.230 2.160 10 30 AEEERN N#CCCc1cnc(-c2cccnc2)o1 259523075 573597667 /nfs/dbraw/zinc/59/76/67/573597667.db2.gz DMMVETRQEJJDRR-UHFFFAOYSA-N 0 0 199.213 2.193 10 30 AEEERN C[C@@H]1CC[C@@H](O)[C@H](CCC#N)C1 259524414 573597682 /nfs/dbraw/zinc/59/76/82/573597682.db2.gz DQILVNIFZNYVLS-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN N#C[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 259137727 573597714 /nfs/dbraw/zinc/59/77/14/573597714.db2.gz MCAKASVTFOOFFI-GHMZBOCLSA-N 0 0 185.226 2.249 10 30 AEEERN C[C@@]1(C#N)C=CC(Nc2ccccc2)=N1 238476302 573597720 /nfs/dbraw/zinc/59/77/20/573597720.db2.gz PAWZJNQUAAGMOR-LBPRGKRZSA-N 0 0 197.241 2.349 10 30 AEEERN Cc1ccc(O)c(SCC#N)c1 238457208 573597727 /nfs/dbraw/zinc/59/77/27/573597727.db2.gz UEQSSEHWTZNSGO-UHFFFAOYSA-N 0 0 179.244 2.316 10 30 AEEERN C[C@@H](C=O)Cc1ccc(C#N)cc1F 238457631 573599059 /nfs/dbraw/zinc/59/90/59/573599059.db2.gz RKJVBOIAHLYGLC-MRVPVSSYSA-N 0 0 191.205 2.075 10 30 AEEERN COc1cc(C#N)c2[nH]ccc2c1 238456865 573599080 /nfs/dbraw/zinc/59/90/80/573599080.db2.gz LYDPLQLRXIRCPF-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN C[C@H](C=O)C[C@H]1CCc2cccnc21 86738036 573598848 /nfs/dbraw/zinc/59/88/48/573598848.db2.gz MGZKQUDGOMEVMT-GXSJLCMTSA-N 0 0 189.258 2.337 10 30 AEEERN C[C@@H]1CC[C@H](O)[C@H](CCC#N)C1 259524407 573598888 /nfs/dbraw/zinc/59/88/88/573598888.db2.gz DQILVNIFZNYVLS-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@@H](C#N)CC 75525343 573598997 /nfs/dbraw/zinc/59/89/97/573598997.db2.gz DBTYWPYUFNZUPD-HTQZYQBOSA-N 0 0 136.198 2.086 10 30 AEEERN C[C@H](C=O)[C@H]1C=CCCC1 75526347 573600435 /nfs/dbraw/zinc/60/04/35/573600435.db2.gz QJXROLGREPJHIQ-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@H](C=O)[C@@H]1C=CCC1 75526312 573600442 /nfs/dbraw/zinc/60/04/42/573600442.db2.gz KJEJXAVXUBAQRL-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H](CC=O)c1cc(N)c(F)c(F)c1 259522129 573599816 /nfs/dbraw/zinc/59/98/16/573599816.db2.gz QOFPPGPKNCPTHV-LURJTMIESA-N 0 0 199.200 2.240 10 30 AEEERN COc1cc(C#N)c2[nH]c(C)cc2c1 238456786 573599853 /nfs/dbraw/zinc/59/98/53/573599853.db2.gz DCUZISUQPPGESD-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN C=C[C@H]([C@H](C)O)[Si](C)(C)C 238457406 573599911 /nfs/dbraw/zinc/59/99/11/573599911.db2.gz IOOQWZLTQNRTRG-JGVFFNPUSA-N 0 0 158.317 2.262 10 30 AEEERN O=CCC[C@H]1CCCc2cccnc21 86738002 573599969 /nfs/dbraw/zinc/59/99/69/573599969.db2.gz XRMHYAQSPHOQHM-LLVKDONJSA-N 0 0 189.258 2.481 10 30 AEEERN C=C[C@@H]([NH2+]C)c1cc(C)ccc1OC 130562749 573600080 /nfs/dbraw/zinc/60/00/80/573600080.db2.gz YQZVGJPGHMZSTP-LLVKDONJSA-N 0 0 191.274 2.450 10 30 AEEERN Cc1cc(C#N)cc(N2CCCC2)c1 306167513 573600140 /nfs/dbraw/zinc/60/01/40/573600140.db2.gz BPOZYNMPHJPHLM-UHFFFAOYSA-N 0 0 186.258 2.467 10 30 AEEERN Cc1ccc(C2(S)COC2)c(C)c1 258502681 573600231 /nfs/dbraw/zinc/60/02/31/573600231.db2.gz FDGQNSSYSFCHIV-UHFFFAOYSA-N 0 0 194.299 2.459 10 30 AEEERN CC1=CCC[C@](C)(C=O)C1 75526473 573600359 /nfs/dbraw/zinc/60/03/59/573600359.db2.gz GBKFYIUZPUUNCX-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)(C#N)c1nc2ncccc2o1 259524134 573600377 /nfs/dbraw/zinc/60/03/77/573600377.db2.gz PVGIHYQOFBKWJT-UHFFFAOYSA-N 0 0 187.202 2.024 10 30 AEEERN CC[C@H](C#N)[C@H](C#N)CC 75525340 573600385 /nfs/dbraw/zinc/60/03/85/573600385.db2.gz DBTYWPYUFNZUPD-OCAPTIKFSA-N 0 0 136.198 2.086 10 30 AEEERN C[C@@H](C=O)C[C@@H]1CCc2cccnc21 86738034 573600412 /nfs/dbraw/zinc/60/04/12/573600412.db2.gz MGZKQUDGOMEVMT-KOLCDFICSA-N 0 0 189.258 2.337 10 30 AEEERN N#C[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 259137742 573600866 /nfs/dbraw/zinc/60/08/66/573600866.db2.gz MCAKASVTFOOFFI-WDEREUQCSA-N 0 0 185.226 2.249 10 30 AEEERN C[C@H]1CC[C@H](C=O)C1(C)C 75527925 573600765 /nfs/dbraw/zinc/60/07/65/573600765.db2.gz HHZSLSRWAVPAFD-JGVFFNPUSA-N 0 0 140.226 2.258 10 30 AEEERN COc1cc(C#N)c2sncc2c1 238457281 573600794 /nfs/dbraw/zinc/60/07/94/573600794.db2.gz FCNRYGZBLFCPTP-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN CC(CCC#N)CCC#N 75525346 573600812 /nfs/dbraw/zinc/60/08/12/573600812.db2.gz MHLRBJZQENMOLJ-UHFFFAOYSA-N 0 0 136.198 2.230 10 30 AEEERN C[C@H](C=O)[C@H]1C[C@@H](C)C(C)(C)O1 238457311 573600827 /nfs/dbraw/zinc/60/08/27/573600827.db2.gz GRWYZSXUUONTSD-IWSPIJDZSA-N 0 0 170.252 2.025 10 30 AEEERN N#C[C@H]1C[C@H]1c1ccc2c(c1)CCO2 259137734 573601009 /nfs/dbraw/zinc/60/10/09/573601009.db2.gz MCAKASVTFOOFFI-MNOVXSKESA-N 0 0 185.226 2.249 10 30 AEEERN C=CC[C@H](O)c1cc(C)ccc1O 238457639 573601029 /nfs/dbraw/zinc/60/10/29/573601029.db2.gz JQZPJZZAGRZMIS-JTQLQIEISA-N 0 0 178.231 2.310 10 30 AEEERN CCCCC(=O)CCC#N 75527002 573601085 /nfs/dbraw/zinc/60/10/85/573601085.db2.gz HXQVNCHDDAUUOK-UHFFFAOYSA-N 0 0 139.198 2.049 10 30 AEEERN O=C(C1=CCCCCC1)c1ncc[nH]1 236393618 573601125 /nfs/dbraw/zinc/60/11/25/573601125.db2.gz PPXDBATUEVXBCV-UHFFFAOYSA-N 0 0 190.246 2.483 10 30 AEEERN C#CC[C@@H](C)[C@@H](O)C(C)(C)C 238445901 573601206 /nfs/dbraw/zinc/60/12/06/573601206.db2.gz DRNGMHQJOXJQHE-RKDXNWHRSA-N 0 0 154.253 2.053 10 30 AEEERN O=C1C=C([C@@H]2CCc3cccnc32)CC1 86738100 573601693 /nfs/dbraw/zinc/60/16/93/573601693.db2.gz NXVDOXPWWSENEV-LBPRGKRZSA-N 0 0 199.253 2.401 10 30 AEEERN C#CC[C@@H](C)[C@H](O)C(C)(C)C 238445930 573601413 /nfs/dbraw/zinc/60/14/13/573601413.db2.gz DRNGMHQJOXJQHE-BDAKNGLRSA-N 0 0 154.253 2.053 10 30 AEEERN CCCC1(CCS)COC1 258815060 573601449 /nfs/dbraw/zinc/60/14/49/573601449.db2.gz YENOQLXDRLDRAV-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN C[C@H]1CC(=O)[C@H](C#N)C(C)(C)C1 238457330 573601461 /nfs/dbraw/zinc/60/14/61/573601461.db2.gz GIHRMEOBGPLQMK-YUMQZZPRSA-N 0 0 165.236 2.151 10 30 AEEERN CCCCCCC[C@@H](NN)C(F)F 130488769 573601467 /nfs/dbraw/zinc/60/14/67/573601467.db2.gz PTOCNVRZCCHTMB-MRVPVSSYSA-N 0 0 194.269 2.444 10 30 AEEERN C=C(OCC)[C@@H](O)C1=CCCCC1 238275175 573601481 /nfs/dbraw/zinc/60/14/81/573601481.db2.gz ZBMQKWLXPZITEB-LLVKDONJSA-N 0 0 182.263 2.398 10 30 AEEERN C[C@@H]1[C@H](C=O)[C@@]1(C)c1ccccc1 238456856 573601517 /nfs/dbraw/zinc/60/15/17/573601517.db2.gz JNQQINPCGBQLNJ-ADEWGFFLSA-N 0 0 174.243 2.409 10 30 AEEERN C=C[C@@H]([C@@H](C)O)C(C)(C)C 238446305 573603403 /nfs/dbraw/zinc/60/34/03/573603403.db2.gz ABEFSRMUCYCEDC-SFYZADRCSA-N 0 0 142.242 2.216 10 30 AEEERN C[C@H]1CC[C@H]2CCC(=O)C=C12 238446951 573602689 /nfs/dbraw/zinc/60/26/89/573602689.db2.gz KRIQOHSZIDAPIG-YUMQZZPRSA-N 0 0 150.221 2.322 10 30 AEEERN N#Cc1cc2sccc2c(N)c1O 306661078 573602704 /nfs/dbraw/zinc/60/27/04/573602704.db2.gz RHEQTKHOWYEXLZ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C[C@H](C=O)C[C@@H]1CCc2cccnc21 86738032 573602723 /nfs/dbraw/zinc/60/27/23/573602723.db2.gz MGZKQUDGOMEVMT-ONGXEEELSA-N 0 0 189.258 2.337 10 30 AEEERN Cc1cc(C)c(CCC=O)o1 75539530 573602728 /nfs/dbraw/zinc/60/27/28/573602728.db2.gz LNTRKJHVMTVMNP-UHFFFAOYSA-N 0 0 152.193 2.028 10 30 AEEERN CC[C@@H](C#N)C1(C(C)C)COC1 258817764 573602826 /nfs/dbraw/zinc/60/28/26/573602826.db2.gz YICXSMVPDRMMTO-VIFPVBQESA-N 0 0 167.252 2.209 10 30 AEEERN CC1=C2[C@@H](C)CC[C@H]2CC1=O 238446506 573602962 /nfs/dbraw/zinc/60/29/62/573602962.db2.gz UNELWENFERPRIO-XPUUQOCRSA-N 0 0 150.221 2.322 10 30 AEEERN CS[C@@H]1CC[C@@H](N(C)[C@@H](C)C#N)C1 687962341 573603006 /nfs/dbraw/zinc/60/30/06/573603006.db2.gz PEMPDJVVXYGYDN-IVZWLZJFSA-N 0 0 198.335 2.114 10 30 AEEERN Cc1ccc(OCC[C@@H]2CO2)c(C)c1 308648554 573603062 /nfs/dbraw/zinc/60/30/62/573603062.db2.gz ISTBGDKBGXLILF-LLVKDONJSA-N 0 0 192.258 2.471 10 30 AEEERN C[C@H]1C=COC2=C1C(=O)CCC2 238446107 573603077 /nfs/dbraw/zinc/60/30/77/573603077.db2.gz VXPHOWGWKZCJDD-ZETCQYMHSA-N 0 0 164.204 2.174 10 30 AEEERN Cc1ccccc1C1(S)COC1 258817825 573603112 /nfs/dbraw/zinc/60/31/12/573603112.db2.gz YKIJYOGBWWVAHD-UHFFFAOYSA-N 0 0 180.272 2.150 10 30 AEEERN CCCCS[C@H](C)C=O 75537829 573603170 /nfs/dbraw/zinc/60/31/70/573603170.db2.gz OHPXXHZUQCZVHC-SSDOTTSWSA-N 0 0 146.255 2.107 10 30 AEEERN Cc1nc2cc([C@H]([NH3+])S)ccc2o1 259123714 573603253 /nfs/dbraw/zinc/60/32/53/573603253.db2.gz AOALJJAVIBOVSO-SECBINFHSA-N 0 0 194.259 2.023 10 30 AEEERN CCCCCCC[C@H](NN)C(F)F 130488554 573603374 /nfs/dbraw/zinc/60/33/74/573603374.db2.gz PTOCNVRZCCHTMB-QMMMGPOBSA-N 0 0 194.269 2.444 10 30 AEEERN CC1(C)CC[C@H](CCC#N)O1 75540248 573603376 /nfs/dbraw/zinc/60/33/76/573603376.db2.gz YIVLDJVZAQVZFD-QMMMGPOBSA-N 0 0 153.225 2.248 10 30 AEEERN Cc1nc(OC(C)(C)C)ccc1C#N 306661760 573603449 /nfs/dbraw/zinc/60/34/49/573603449.db2.gz OTAATKMUCUONIQ-UHFFFAOYSA-N 0 0 190.246 2.439 10 30 AEEERN C=C[C@@H]([C@@H](C)O)[Si](C)(C)C 238446389 573603494 /nfs/dbraw/zinc/60/34/94/573603494.db2.gz IOOQWZLTQNRTRG-SFYZADRCSA-N 0 0 158.317 2.262 10 30 AEEERN Cc1cc(CCC=O)oc1C 75539532 573603595 /nfs/dbraw/zinc/60/35/95/573603595.db2.gz SPZJZPMNTMCSAK-UHFFFAOYSA-N 0 0 152.193 2.028 10 30 AEEERN CCCCS[C@@H](C)C=O 75537828 573603603 /nfs/dbraw/zinc/60/36/03/573603603.db2.gz OHPXXHZUQCZVHC-ZETCQYMHSA-N 0 0 146.255 2.107 10 30 AEEERN N#CC1(CNc2ccncc2)CCC1 258818176 573603671 /nfs/dbraw/zinc/60/36/71/573603671.db2.gz CBAOQDGBYYQODW-UHFFFAOYSA-N 0 0 187.246 2.187 10 30 AEEERN CC[C@H]([C@@H](C#N)C(C)C)[NH+](C)C 259140927 573603830 /nfs/dbraw/zinc/60/38/30/573603830.db2.gz KHJUIOPWELFLAT-VHSXEESVSA-N 0 0 168.284 2.122 10 30 AEEERN CCCC[C@@H](C=O)SC 75537838 573603944 /nfs/dbraw/zinc/60/39/44/573603944.db2.gz NULXRWZDSASLDQ-ZETCQYMHSA-N 0 0 146.255 2.107 10 30 AEEERN C#C[C@H](O)C[C@@H](C)c1ccc(C)o1 238446797 573603965 /nfs/dbraw/zinc/60/39/65/573603965.db2.gz OYHSHBZWJUJAEJ-SCZZXKLOSA-N 0 0 178.231 2.076 10 30 AEEERN CC(C)(CS)c1ccc[nH]1 259140357 573603970 /nfs/dbraw/zinc/60/39/70/573603970.db2.gz HRLIBJAARLXECC-UHFFFAOYSA-N 0 0 155.266 2.222 10 30 AEEERN CC(C)SC1(C=O)CCC1 259525680 573603995 /nfs/dbraw/zinc/60/39/95/573603995.db2.gz ATBOHUGNANGTJL-UHFFFAOYSA-N 0 0 158.266 2.250 10 30 AEEERN CC[C@H](C#N)C1(C(C)C)COC1 258817763 573604004 /nfs/dbraw/zinc/60/40/04/573604004.db2.gz YICXSMVPDRMMTO-SECBINFHSA-N 0 0 167.252 2.209 10 30 AEEERN CC1(C)CC[C@@H](CCC#N)O1 75540251 573604012 /nfs/dbraw/zinc/60/40/12/573604012.db2.gz YIVLDJVZAQVZFD-MRVPVSSYSA-N 0 0 153.225 2.248 10 30 AEEERN CCc1ccc(OCC[C@H]2CO2)cc1 308648481 573604050 /nfs/dbraw/zinc/60/40/50/573604050.db2.gz IOKMGBVEYMMQFD-LBPRGKRZSA-N 0 0 192.258 2.417 10 30 AEEERN CC[C@H]([C@H](C#N)C(C)C)[NH+](C)C 259140924 573604081 /nfs/dbraw/zinc/60/40/81/573604081.db2.gz KHJUIOPWELFLAT-NXEZZACHSA-N 0 0 168.284 2.122 10 30 AEEERN Cc1nc2cc([C@@H]([NH3+])S)ccc2o1 259123718 573604132 /nfs/dbraw/zinc/60/41/32/573604132.db2.gz AOALJJAVIBOVSO-VIFPVBQESA-N 0 0 194.259 2.023 10 30 AEEERN C[C@@H]1CCCC2=CC(=O)C[C@@H]21 238447244 573604165 /nfs/dbraw/zinc/60/41/65/573604165.db2.gz TWSOJUIUWRCGET-GMSGAONNSA-N 0 0 150.221 2.322 10 30 AEEERN CC[C@@H]([C@H](C#N)C(C)C)[NH+](C)C 259140929 573604230 /nfs/dbraw/zinc/60/42/30/573604230.db2.gz KHJUIOPWELFLAT-ZJUUUORDSA-N 0 0 168.284 2.122 10 30 AEEERN COC[C@H](C)[C@H]1CC[C@@](C)(CC#N)O1 308647847 573604280 /nfs/dbraw/zinc/60/42/80/573604280.db2.gz IHHMADUTQLSKGK-AXFHLTTASA-N 0 0 197.278 2.120 10 30 AEEERN CCC(=O)/C=C(/C)CCC#N 75539228 573604300 /nfs/dbraw/zinc/60/43/00/573604300.db2.gz DEWNZEKIMLFJLM-FPLPWBNLSA-N 0 0 151.209 2.216 10 30 AEEERN C[C@@H]1CCCC2=CC(=O)C[C@H]21 238447224 573604341 /nfs/dbraw/zinc/60/43/41/573604341.db2.gz TWSOJUIUWRCGET-XCBNKYQSSA-N 0 0 150.221 2.322 10 30 AEEERN N#CCc1csc([C@H]2CCCO2)n1 83714999 573604346 /nfs/dbraw/zinc/60/43/46/573604346.db2.gz DRPKWSFSSPAIAA-MRVPVSSYSA-N 0 0 194.259 2.061 10 30 AEEERN Cc1cc(C)cc([C@](C)([NH3+])CC#N)c1 238457688 573604354 /nfs/dbraw/zinc/60/43/54/573604354.db2.gz NEQYMTPPPSTDQD-GFCCVEGCSA-N 0 0 188.274 2.391 10 30 AEEERN C[C@H]1OCC[C@@H]1C(=O)C1=CCCC1 86756681 573604542 /nfs/dbraw/zinc/60/45/42/573604542.db2.gz BCBVMIYNABDZKF-SCZZXKLOSA-N 0 0 180.247 2.091 10 30 AEEERN N#Cc1ccc(N)c2c1CC(=O)S2 306662978 573604573 /nfs/dbraw/zinc/60/45/73/573604573.db2.gz UXEMGGHZVXZJTL-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC[C@@H]([C@@H](C#N)C(C)C)[NH+](C)C 259140926 573604610 /nfs/dbraw/zinc/60/46/10/573604610.db2.gz KHJUIOPWELFLAT-UWVGGRQHSA-N 0 0 168.284 2.122 10 30 AEEERN C[C@H](CC=O)c1ccsc1 75541764 573604654 /nfs/dbraw/zinc/60/46/54/573604654.db2.gz JTUYEZAVXJDUOM-SSDOTTSWSA-N 0 0 154.234 2.441 10 30 AEEERN C[C@@H]1OCC[C@H]1C(=O)C1=CCCC1 86756679 573604680 /nfs/dbraw/zinc/60/46/80/573604680.db2.gz BCBVMIYNABDZKF-WCBMZHEXSA-N 0 0 180.247 2.091 10 30 AEEERN C[C@@]12C=C[C@@H](CC1)C[C@@]2(C#N)C=O 238446252 573604692 /nfs/dbraw/zinc/60/46/92/573604692.db2.gz UCQSYIGQSOKLML-HBNTYKKESA-N 0 0 175.231 2.071 10 30 AEEERN C[C@H]1CC[C@@H](c2noc(CC#N)n2)C1 235622817 573604731 /nfs/dbraw/zinc/60/47/31/573604731.db2.gz MQYBTOHHNHVARG-JGVFFNPUSA-N 0 0 191.234 2.039 10 30 AEEERN CC[C@H](C=O)SC(C)C 75537836 573604756 /nfs/dbraw/zinc/60/47/56/573604756.db2.gz MTTZUCMWBWGKOQ-SSDOTTSWSA-N 0 0 146.255 2.106 10 30 AEEERN Cc1c(C(F)F)ccnc1CC#N 238446182 573604761 /nfs/dbraw/zinc/60/47/61/573604761.db2.gz OJDZYSLTNVIOIQ-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C[C@H](C=O)/C=C/c1ccco1 75538748 573604921 /nfs/dbraw/zinc/60/49/21/573604921.db2.gz JXQCSGSLZOZMDG-ZJELKQJVSA-N 0 0 150.177 2.128 10 30 AEEERN CC(=O)C1=C(O)CCC[C@H]1C 238446512 573604990 /nfs/dbraw/zinc/60/49/90/573604990.db2.gz SDXQFUHPKWTWOD-ZCFIWIBFSA-N 0 0 154.209 2.208 10 30 AEEERN N#CCc1csc([C@@H]2CCCO2)n1 83714996 573605003 /nfs/dbraw/zinc/60/50/03/573605003.db2.gz DRPKWSFSSPAIAA-QMMMGPOBSA-N 0 0 194.259 2.061 10 30 AEEERN COC(C)(C)C[C@H]1CC[C@H](CC#N)O1 308647855 573605026 /nfs/dbraw/zinc/60/50/26/573605026.db2.gz IIETWUKPQSTSJA-NXEZZACHSA-N 0 0 197.278 2.263 10 30 AEEERN CCOC(=O)N[C@H](C)CC[C@@H](C)C#N 238284215 573605141 /nfs/dbraw/zinc/60/51/41/573605141.db2.gz KFKHJAVJPDQNQF-RKDXNWHRSA-N 0 0 198.266 2.061 10 30 AEEERN Cc1cc([C@H]([NH3+])S)ccc1F 259123646 573605150 /nfs/dbraw/zinc/60/51/50/573605150.db2.gz ANUGFPFCHNHKNR-MRVPVSSYSA-N 0 0 171.240 2.021 10 30 AEEERN CCC1(C2(C#N)CCC2)COC1 258817885 573605198 /nfs/dbraw/zinc/60/51/98/573605198.db2.gz YLOPXUZYRSSRQM-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN Cc1ccccc1-c1cnn(C)c1C#N 259527725 573605205 /nfs/dbraw/zinc/60/52/05/573605205.db2.gz YFSLIVOWHBMVGW-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN N#Cc1onc(C2CC2)c1C1CC1 259525684 573605233 /nfs/dbraw/zinc/60/52/33/573605233.db2.gz XXFBTMYKZBMEBT-UHFFFAOYSA-N 0 0 174.203 2.301 10 30 AEEERN CC[C@H](C=O)c1ccsc1 75541780 573605238 /nfs/dbraw/zinc/60/52/38/573605238.db2.gz LCSDWVKCOQMEKN-SSDOTTSWSA-N 0 0 154.234 2.441 10 30 AEEERN CCc1nc(C)c(C2(CC#N)CC2)[nH]1 259524714 573605476 /nfs/dbraw/zinc/60/54/76/573605476.db2.gz BDZIRMSBBYWGSF-UHFFFAOYSA-N 0 0 189.262 2.226 10 30 AEEERN C[C@H](C=O)Cc1ccsc1 75541766 573605527 /nfs/dbraw/zinc/60/55/27/573605527.db2.gz CCKLBEJOORARDV-ZETCQYMHSA-N 0 0 154.234 2.126 10 30 AEEERN C[C@@H]1CC[C@@]2(C)CCC(=O)C=C2[C@@H]1O 238447223 573605569 /nfs/dbraw/zinc/60/55/69/573605569.db2.gz XRGCRHWBTNPXFS-FXAINCCUSA-N 0 0 194.274 2.073 10 30 AEEERN C[C@@H](O)[C@H](C)c1cc(F)ccc1C#N 238445951 573605664 /nfs/dbraw/zinc/60/56/64/573605664.db2.gz SAPWHRJGBNRMPB-JGVFFNPUSA-N 0 0 193.221 2.182 10 30 AEEERN CS[C@@H]1CC[C@H](N(C)[C@H](C)C#N)C1 687962343 573605820 /nfs/dbraw/zinc/60/58/20/573605820.db2.gz PEMPDJVVXYGYDN-KXUCPTDWSA-N 0 0 198.335 2.114 10 30 AEEERN C#CCc1nc2ccccc2n1CC 86755446 573605859 /nfs/dbraw/zinc/60/58/59/573605859.db2.gz MFZHMCZAUDFDFZ-UHFFFAOYSA-N 0 0 184.242 2.232 10 30 AEEERN CC#CCCOCc1ccc(N)cc1 161002157 573606044 /nfs/dbraw/zinc/60/60/44/573606044.db2.gz YJJPOXUGBQFGBE-UHFFFAOYSA-N 0 0 189.258 2.199 10 30 AEEERN N#Cc1c(F)ccc2c(N)csc12 306668854 573606106 /nfs/dbraw/zinc/60/61/06/573606106.db2.gz AFKLSEUAZYQRDH-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN O=C[C@H](F)c1ccc2c(c1)CCCO2 257836630 573606149 /nfs/dbraw/zinc/60/61/49/573606149.db2.gz KXVSJKHADBNFDR-JTQLQIEISA-N 0 0 194.205 2.221 10 30 AEEERN Cc1cc([C@@H]([NH3+])S)ccc1F 259123649 573606378 /nfs/dbraw/zinc/60/63/78/573606378.db2.gz ANUGFPFCHNHKNR-QMMMGPOBSA-N 0 0 171.240 2.021 10 30 AEEERN C=C(C)[C@@H](O)c1ncc(Cl)s1 223196883 573606387 /nfs/dbraw/zinc/60/63/87/573606387.db2.gz IAPIDELWQRZWQK-ZCFIWIBFSA-N 0 0 189.667 2.406 10 30 AEEERN N#CCCCc1[nH]nc2c1CCCC2 259526551 573606394 /nfs/dbraw/zinc/60/63/94/573606394.db2.gz BKDJQBZVZDCVLT-UHFFFAOYSA-N 0 0 189.262 2.135 10 30 AEEERN CC(C)(C)c1ccnc(CS)n1 259126038 573607529 /nfs/dbraw/zinc/60/75/29/573607529.db2.gz QAKJSFYURZQMQS-UHFFFAOYSA-N 0 0 182.292 2.204 10 30 AEEERN O/N=C1/CCCOc2ccccc21 142768548 573607691 /nfs/dbraw/zinc/60/76/91/573607691.db2.gz CTPBPHFPLVIYQN-LUAWRHEFSA-N 0 0 177.203 2.038 10 30 AEEERN C=C[C@@H](O)CC1=CCCCC1 224382842 573607708 /nfs/dbraw/zinc/60/77/08/573607708.db2.gz WZUGRZXHWVCCIZ-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H]1OCC[C@H]1C(=O)C1=CCCCC1 86756667 573607788 /nfs/dbraw/zinc/60/77/88/573607788.db2.gz DKXPGVDWDCCROF-MWLCHTKSSA-N 0 0 194.274 2.481 10 30 AEEERN CC1=CCCC[C@@H](C)C1=O 238447460 573607875 /nfs/dbraw/zinc/60/78/75/573607875.db2.gz RNCBBEAAWHXFCM-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN N#Cc1cccc2c1ccn2CCC=O 236417198 573607922 /nfs/dbraw/zinc/60/79/22/573607922.db2.gz SNJHHJLODZQUTN-UHFFFAOYSA-N 0 0 198.225 2.102 10 30 AEEERN Cc1cc(-c2ccc(C#N)s2)n[nH]1 259528097 573607932 /nfs/dbraw/zinc/60/79/32/573607932.db2.gz BLGLRVHJQIGFTG-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN Cc1ccc(C(F)F)nc1CC#N 238448390 573608016 /nfs/dbraw/zinc/60/80/16/573608016.db2.gz OMOLAJSCGWDSNI-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN Cc1c([C@@H](N)C#N)[nH]c2c(C)cccc12 259527220 573608084 /nfs/dbraw/zinc/60/80/84/573608084.db2.gz DXGKIBYEVMGGOA-JTQLQIEISA-N 0 0 199.257 2.308 10 30 AEEERN CCN1CC[C@@H](C#N)[C@H]1c1ccco1 259528118 573608132 /nfs/dbraw/zinc/60/81/32/573608132.db2.gz BLNGWGCORNZSQM-ONGXEEELSA-N 0 0 190.246 2.186 10 30 AEEERN CC1=C(C)[C@H]2[C@@H](C)[C@@]2(C)C1=O 238447517 573608163 /nfs/dbraw/zinc/60/81/63/573608163.db2.gz VOHTZROQNGYUOY-KHQFGBGNSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H](CC#N)c1ccccc1O 75544928 573608179 /nfs/dbraw/zinc/60/81/79/573608179.db2.gz CRKRCYHIAGRDNE-MRVPVSSYSA-N 0 0 161.204 2.409 10 30 AEEERN CN(CS)Cc1cccs1 258821249 573608249 /nfs/dbraw/zinc/60/82/49/573608249.db2.gz AEKZVGCXBQXDBY-UHFFFAOYSA-N 0 0 173.306 2.067 10 30 AEEERN COc1cc(CCC=O)cc(F)c1C 258067479 573608297 /nfs/dbraw/zinc/60/82/97/573608297.db2.gz LZTLWMKNPLQJPQ-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CC[C@@H](C)c1cccc(C#N)n1 75544697 573608716 /nfs/dbraw/zinc/60/87/16/573608716.db2.gz QFQUSUUNKMEKHU-MRVPVSSYSA-N 0 0 160.220 2.467 10 30 AEEERN CCS[C@H](C=O)C(C)(C)C 75544761 573608753 /nfs/dbraw/zinc/60/87/53/573608753.db2.gz XOSYJBPWJVPXKX-SSDOTTSWSA-N 0 0 160.282 2.353 10 30 AEEERN O=CCCc1ccc2c(c1)SCC2 258067378 573609321 /nfs/dbraw/zinc/60/93/21/573609321.db2.gz LXDXTUPAUPFZJI-UHFFFAOYSA-N 0 0 192.283 2.466 10 30 AEEERN CC1=C([C@@H]2C[C@@H]2C)CCC1=O 238447755 573608792 /nfs/dbraw/zinc/60/87/92/573608792.db2.gz DDLOOVDWEUJCAV-IMTBSYHQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)=C1C=CC(=O)[C@@H](C)C1 238448710 573608865 /nfs/dbraw/zinc/60/88/65/573608865.db2.gz XRPZDFFUDNGCCR-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1cccc([C@H](CO)CS)c1 258067760 573608868 /nfs/dbraw/zinc/60/88/68/573608868.db2.gz IMBQLSDOFCXLAZ-SNVBAGLBSA-N 0 0 182.288 2.001 10 30 AEEERN Cc1cc(C2CC2)c(CC#N)[nH]1 259527173 573608892 /nfs/dbraw/zinc/60/88/92/573608892.db2.gz DVUVOGMTPJWNLS-UHFFFAOYSA-N 0 0 160.220 2.267 10 30 AEEERN N#Cc1ccc(N2CC(F)(F)C2)cc1 257837389 573608955 /nfs/dbraw/zinc/60/89/55/573608955.db2.gz LCFFCNCUSORZSO-UHFFFAOYSA-N 0 0 194.184 2.014 10 30 AEEERN Cc1nc(C#N)c(C)n1-c1ccccc1 259527214 573608963 /nfs/dbraw/zinc/60/89/63/573608963.db2.gz DWVYTQZXXKEQSD-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=C1CCC(=CCO)CC1 142764335 573608980 /nfs/dbraw/zinc/60/89/80/573608980.db2.gz KEURDELRMKVTLA-UHFFFAOYSA-N 0 0 138.210 2.035 10 30 AEEERN C[C@H]1CCC(=O)[C@@H](CCC#N)C1 75546815 573609032 /nfs/dbraw/zinc/60/90/32/573609032.db2.gz KPFMHFPNGDMPNN-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H](C[C@@](C)(N)C#N)c1ccccc1 238448726 573609044 /nfs/dbraw/zinc/60/90/44/573609044.db2.gz FWKITMCSWVMMFP-ZYHUDNBSSA-N 0 0 188.274 2.421 10 30 AEEERN C[C@H]1C=C[C@H](C)[C@H]2C(=O)C=C(O)[C@@H]12 238447657 573609055 /nfs/dbraw/zinc/60/90/55/573609055.db2.gz VHTBEAZRZVVFKJ-JDYBYMESSA-N 0 0 178.231 2.085 10 30 AEEERN Cc1cccc2c1[C@@H](C=O)CC2 75544619 573609084 /nfs/dbraw/zinc/60/90/84/573609084.db2.gz LFTHLFIVYVMDMA-SNVBAGLBSA-N 0 0 160.216 2.224 10 30 AEEERN Cc1ccc(C(C)C)cc1[C@@H](N)C=O 259127726 573609085 /nfs/dbraw/zinc/60/90/85/573609085.db2.gz CGFZRVBLZMVUFQ-LBPRGKRZSA-N 0 0 191.274 2.317 10 30 AEEERN Cc1cc(C#N)cc(C[C@@H](C)O)c1C 258070165 573609113 /nfs/dbraw/zinc/60/91/13/573609113.db2.gz MCJVDUOWBNYNIK-SECBINFHSA-N 0 0 189.258 2.098 10 30 AEEERN N#C[C@@H](c1ncc[nH]1)C1CCCC1 259130657 573609189 /nfs/dbraw/zinc/60/91/89/573609189.db2.gz LUDLLOGBSYPGKO-SECBINFHSA-N 0 0 175.235 2.207 10 30 AEEERN Cc1c(CCCCCCCC=O)c1=O 238448175 573609294 /nfs/dbraw/zinc/60/92/94/573609294.db2.gz MPWTWAVLIWCIOR-UHFFFAOYSA-N 0 0 194.274 2.313 10 30 AEEERN C[C@H](CC#N)[C@H]1CCCC(=O)C1 75546889 573609396 /nfs/dbraw/zinc/60/93/96/573609396.db2.gz JZYPICFSEJRTEL-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN Cc1ccc(C)n1CCCC#N 75545456 573609405 /nfs/dbraw/zinc/60/94/05/573609405.db2.gz OAGHIUVPSIBIPX-UHFFFAOYSA-N 0 0 162.236 2.409 10 30 AEEERN C[C@H](CC#N)[C@@H]1CCCC(=O)C1 75546884 573609434 /nfs/dbraw/zinc/60/94/34/573609434.db2.gz JZYPICFSEJRTEL-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN Cc1cccc2c1[C@H](C=O)CC2 75544617 573609454 /nfs/dbraw/zinc/60/94/54/573609454.db2.gz LFTHLFIVYVMDMA-JTQLQIEISA-N 0 0 160.216 2.224 10 30 AEEERN Cc1ccc(C(=O)C(C)(C)C#N)o1 259126381 573609524 /nfs/dbraw/zinc/60/95/24/573609524.db2.gz JEISMMAMHIOOAZ-UHFFFAOYSA-N 0 0 177.203 2.321 10 30 AEEERN CC1=CC(=O)CC(C)(C)[C@H]1C#N 75545831 573609751 /nfs/dbraw/zinc/60/97/51/573609751.db2.gz ADHHFFAFCKONJD-VIFPVBQESA-N 0 0 163.220 2.071 10 30 AEEERN C[C@H]1CC=C(CCC#N)C(=O)C1 75545802 573609549 /nfs/dbraw/zinc/60/95/49/573609549.db2.gz KVLBNZMFXWIUHL-QMMMGPOBSA-N 0 0 163.220 2.216 10 30 AEEERN Cc1[nH]c2c(c1C#N)CCCC2 259616349 573609580 /nfs/dbraw/zinc/60/95/80/573609580.db2.gz FLTKHUOKAZJCMO-UHFFFAOYSA-N 0 0 160.220 2.074 10 30 AEEERN Cc1c(C=O)[nH]c2c(C#N)cccc12 257837086 573609683 /nfs/dbraw/zinc/60/96/83/573609683.db2.gz LHHZCVJZKAONFR-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 AEEERN C[C@@H]1OCC[C@@H]1C(=O)C1=CCCCC1 86756676 573609708 /nfs/dbraw/zinc/60/97/08/573609708.db2.gz DKXPGVDWDCCROF-ONGXEEELSA-N 0 0 194.274 2.481 10 30 AEEERN N#Cc1ccc2c(ccn2CCC=O)c1 236417208 573609730 /nfs/dbraw/zinc/60/97/30/573609730.db2.gz JJNKRMABOIYDJE-UHFFFAOYSA-N 0 0 198.225 2.102 10 30 AEEERN N#Cc1ccccc1[C@H]1CC(=O)C=CO1 236414539 573610505 /nfs/dbraw/zinc/61/05/05/573610505.db2.gz PMTXHFYDMAOOQH-GFCCVEGCSA-N 0 0 199.209 2.102 10 30 AEEERN CC1=CC(=O)CC(C)(C)[C@@H]1C#N 75545828 573610615 /nfs/dbraw/zinc/61/06/15/573610615.db2.gz ADHHFFAFCKONJD-SECBINFHSA-N 0 0 163.220 2.071 10 30 AEEERN Cc1cccc([C@@H](CO)CS)c1 258067758 573610677 /nfs/dbraw/zinc/61/06/77/573610677.db2.gz IMBQLSDOFCXLAZ-JTQLQIEISA-N 0 0 182.288 2.001 10 30 AEEERN Cc1ccc(O)c(C)c1CC#N 75544921 573610689 /nfs/dbraw/zinc/61/06/89/573610689.db2.gz OBBADWFFOOBXTC-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN CO[C@]1(C)CCCC[C@]1(C)C#N 75555506 573610864 /nfs/dbraw/zinc/61/08/64/573610864.db2.gz JBUJNRIVVIKVNR-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN O=CCc1csc2ccc(O)cc12 258069352 573610918 /nfs/dbraw/zinc/61/09/18/573610918.db2.gz GSMSENVRGBSKFQ-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN Cc1c([C@H](N)C#N)[nH]c2c(C)cccc12 259527221 573610920 /nfs/dbraw/zinc/61/09/20/573610920.db2.gz DXGKIBYEVMGGOA-SNVBAGLBSA-N 0 0 199.257 2.308 10 30 AEEERN C=C(C)[C@@H]1C=CC(=O)[C@H](C)C1 238447391 573610965 /nfs/dbraw/zinc/61/09/65/573610965.db2.gz JEJOXGLYWWNRKT-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@H]1CC[C@@H](CC=O)C(C)(C)O1 75560266 573612427 /nfs/dbraw/zinc/61/24/27/573612427.db2.gz GFCNYZMDVYRBEC-IUCAKERBSA-N 0 0 170.252 2.169 10 30 AEEERN O=C1C=C(NCC2(C3CC3)CC2)CC1 236417950 573611875 /nfs/dbraw/zinc/61/18/75/573611875.db2.gz UNWAFCDZZQRKRR-UHFFFAOYSA-N 0 0 191.274 2.013 10 30 AEEERN CC[C@](C)(CCC#N)OC(C)=O 75557721 573611886 /nfs/dbraw/zinc/61/18/86/573611886.db2.gz OEVFYOVTZMSZKM-SECBINFHSA-N 0 0 169.224 2.022 10 30 AEEERN C[C@H](C=O)CC[C@H]1C=CCS1 75560443 573611917 /nfs/dbraw/zinc/61/19/17/573611917.db2.gz CUWFDGXLODPKMF-DTWKUNHWSA-N 0 0 170.277 2.273 10 30 AEEERN CCc1ccc(C2(C#N)COC2)cc1 258820787 573612429 /nfs/dbraw/zinc/61/24/29/573612429.db2.gz YSLMGAKNAAFPGR-UHFFFAOYSA-N 0 0 187.242 2.041 10 30 AEEERN Cc1ccc(CS)cc1O 258067816 573611959 /nfs/dbraw/zinc/61/19/59/573611959.db2.gz GZQHQVQJVGIUMH-UHFFFAOYSA-N 0 0 154.234 2.130 10 30 AEEERN C=CCN(CCC#N)C[C@H](F)CC 308406076 573611962 /nfs/dbraw/zinc/61/19/62/573611962.db2.gz LVGDWAXLCDWQOG-SNVBAGLBSA-N 0 0 184.258 2.136 10 30 AEEERN Cc1cc(CN(C)CS)ccc1F 258821022 573612063 /nfs/dbraw/zinc/61/20/63/573612063.db2.gz ABUUKTWNVKUSBK-UHFFFAOYSA-N 0 0 199.294 2.453 10 30 AEEERN Cc1noc2cc(CCC=O)ccc12 258067452 573612074 /nfs/dbraw/zinc/61/20/74/573612074.db2.gz LYWNHYZLIWZJQS-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN C[C@H](CC#N)[C@@]1(C)CCCC1=O 238449347 573612171 /nfs/dbraw/zinc/61/21/71/573612171.db2.gz XAAMDLHPJPWTDW-PSASIEDQSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1CCCCCC[C@@H](C=O)O1 238448808 573612244 /nfs/dbraw/zinc/61/22/44/573612244.db2.gz SZGMZTSTMKWZHF-ZJUUUORDSA-N 0 0 170.252 2.313 10 30 AEEERN Cc1cccc([C@@]2(C)C[C@H]2C=O)c1 257837639 573612266 /nfs/dbraw/zinc/61/22/66/573612266.db2.gz LJOVVQDQBUOSMU-NWDGAFQWSA-N 0 0 174.243 2.472 10 30 AEEERN C[C@@H]1CCCCCC[C@H](C=O)O1 238448833 573612394 /nfs/dbraw/zinc/61/23/94/573612394.db2.gz SZGMZTSTMKWZHF-NXEZZACHSA-N 0 0 170.252 2.313 10 30 AEEERN Cc1ccc(C(C)C)cc1[C@H](N)C=O 259127724 573612462 /nfs/dbraw/zinc/61/24/62/573612462.db2.gz CGFZRVBLZMVUFQ-GFCCVEGCSA-N 0 0 191.274 2.317 10 30 AEEERN Cc1cccc([C@@]2(C)C[C@@H]2C=O)c1 257837641 573612483 /nfs/dbraw/zinc/61/24/83/573612483.db2.gz LJOVVQDQBUOSMU-VXGBXAGGSA-N 0 0 174.243 2.472 10 30 AEEERN C[C@H]1CC(=O)C2=C(C1)O[C@H](C)C2 238449713 573612496 /nfs/dbraw/zinc/61/24/96/573612496.db2.gz QPGZQTNULCZLDW-NKWVEPMBSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@H]1CC(=O)C2=C1C(=O)CCCC2 238449736 573612543 /nfs/dbraw/zinc/61/25/43/573612543.db2.gz YTCUOKMRVAFDSH-ZETCQYMHSA-N 0 0 178.231 2.035 10 30 AEEERN C[C@H]1CCC[C@@H](CCC#N)[C@@H]1O 238449794 573612613 /nfs/dbraw/zinc/61/26/13/573612613.db2.gz GLSLNGWUWDZFMN-LPEHRKFASA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H]1CC(=O)C2=C1CCCS2 238449813 573612687 /nfs/dbraw/zinc/61/26/87/573612687.db2.gz ZXMUJXMGJSVTLW-LURJTMIESA-N 0 0 168.261 2.376 10 30 AEEERN CC[C@@](C)(CCC#N)OC(C)=O 75557718 573612736 /nfs/dbraw/zinc/61/27/36/573612736.db2.gz OEVFYOVTZMSZKM-VIFPVBQESA-N 0 0 169.224 2.022 10 30 AEEERN Cc1cc(C#N)cc(C[C@H](C)O)c1C 258070166 573612835 /nfs/dbraw/zinc/61/28/35/573612835.db2.gz MCJVDUOWBNYNIK-VIFPVBQESA-N 0 0 189.258 2.098 10 30 AEEERN CC1=CC(=O)[C@H]([C@H](C)CC#N)CC1 238449298 573612862 /nfs/dbraw/zinc/61/28/62/573612862.db2.gz VSDOPTHOCKZIPB-ZJUUUORDSA-N 0 0 177.247 2.462 10 30 AEEERN Cn1cc(-c2ccccc2)nc1CC#N 259529121 573612864 /nfs/dbraw/zinc/61/28/64/573612864.db2.gz TYPMDXBSGNTCRZ-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN CCC(=O)OC1=CC(=O)C[C@H](CC)C1 238286681 573614766 /nfs/dbraw/zinc/61/47/66/573614766.db2.gz PQQQELYQIRYSSF-QMMMGPOBSA-N 0 0 196.246 2.213 10 30 AEEERN C=C1CC2=C(C[C@@H](C)CC2=O)O1 238449665 573613887 /nfs/dbraw/zinc/61/38/87/573613887.db2.gz CUUPPWVDVAHMNZ-LURJTMIESA-N 0 0 164.204 2.174 10 30 AEEERN C[C@H]1CC(=O)C2=CCCC[C@H]21 238449961 573613729 /nfs/dbraw/zinc/61/37/29/573613729.db2.gz SWNIDXDREKMWCF-YUMQZZPRSA-N 0 0 150.221 2.322 10 30 AEEERN CC1=CC(=O)c2c1sc(C=O)c2C 238449313 573613737 /nfs/dbraw/zinc/61/37/37/573613737.db2.gz OFIYTQZLRWSNDR-UHFFFAOYSA-N 0 0 192.239 2.469 10 30 AEEERN C[C@]12CCC(=O)C=C1C[C@@H](CO)CC2 238449184 573613740 /nfs/dbraw/zinc/61/37/40/573613740.db2.gz KXYOGHXCBOHVRR-CABZTGNLSA-N 0 0 194.274 2.074 10 30 AEEERN C#CC[C@H](CCCCCCC)NN 126651574 573613791 /nfs/dbraw/zinc/61/37/91/573613791.db2.gz HWQYXJLJRWKICA-LLVKDONJSA-N 0 0 182.311 2.202 10 30 AEEERN CC1=CC[C@H]([C@H](C)CC#N)C(=O)C1 238449460 573613812 /nfs/dbraw/zinc/61/38/12/573613812.db2.gz DSKSEICVJTVYKH-NXEZZACHSA-N 0 0 177.247 2.462 10 30 AEEERN CCN(CCC#N)[C@H](C)C(F)(F)F 308408062 573616528 /nfs/dbraw/zinc/61/65/28/573616528.db2.gz KPWCUQIQIRYGLZ-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN C=C[C@@]1(C)Cc2cc(O)ccc2O1 238449567 573615034 /nfs/dbraw/zinc/61/50/34/573615034.db2.gz PICVAAGHKKWYRS-NSHDSACASA-N 0 0 176.215 2.272 10 30 AEEERN N#C[C@@H]1C[C@@H](c2ccsc2)CCN1 259529791 573614736 /nfs/dbraw/zinc/61/47/36/573614736.db2.gz BORWTWFXDUGFCE-WPRPVWTQSA-N 0 0 192.287 2.107 10 30 AEEERN C[C@@H]1CCCCC[C@H](C#N)C1=O 238449448 573614772 /nfs/dbraw/zinc/61/47/72/573614772.db2.gz NXMXOUJCNASUPJ-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CC2=C(C[C@@H](C)CC2=O)O1 238449694 573614823 /nfs/dbraw/zinc/61/48/23/573614823.db2.gz QPGZQTNULCZLDW-BQBZGAKWSA-N 0 0 166.220 2.048 10 30 AEEERN Cc1n[nH]cc1CCC1(CC#N)CC1 259529854 573614825 /nfs/dbraw/zinc/61/48/25/573614825.db2.gz BPJVHKBWPAKDQR-UHFFFAOYSA-N 0 0 189.262 2.345 10 30 AEEERN CC1=CC[C@@H]([C@H](C)CC#N)C(=O)C1 238449288 573614854 /nfs/dbraw/zinc/61/48/54/573614854.db2.gz DSKSEICVJTVYKH-ZJUUUORDSA-N 0 0 177.247 2.462 10 30 AEEERN Cc1cc(N)ccc1C1(C#N)CC1 238450544 573615545 /nfs/dbraw/zinc/61/55/45/573615545.db2.gz WUIMOPFJNWXZDZ-UHFFFAOYSA-N 0 0 172.231 2.132 10 30 AEEERN C=C(C)[C@H]1C[C@H]1C 224400721 573615550 /nfs/dbraw/zinc/61/55/50/573615550.db2.gz ZOKGQUXVNGUSSK-RNFRBKRXSA-N 0 0 96.173 2.219 10 30 AEEERN C#C[C@@H](O)C[C@@H](C)c1ccc(C)o1 238451053 573615552 /nfs/dbraw/zinc/61/55/52/573615552.db2.gz OYHSHBZWJUJAEJ-PSASIEDQSA-N 0 0 178.231 2.076 10 30 AEEERN Cc1cccc2[nH]cc(CC=O)c12 238451331 573617423 /nfs/dbraw/zinc/61/74/23/573617423.db2.gz ZIXQINZITQLHMU-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C/C=C/CNc1ccc(C#N)c(N)c1 306669759 573617477 /nfs/dbraw/zinc/61/74/77/573617477.db2.gz XDJBISQQXUDBHI-NSCUHMNNSA-N 0 0 187.246 2.128 10 30 AEEERN N#C[C@@H]1C[C@H](c2ccsc2)CCN1 259529788 573617540 /nfs/dbraw/zinc/61/75/40/573617540.db2.gz BORWTWFXDUGFCE-SCZZXKLOSA-N 0 0 192.287 2.107 10 30 AEEERN N#Cc1cccn1C1CCC1 306430946 573617575 /nfs/dbraw/zinc/61/75/75/573617575.db2.gz IDEMCQAHMBGGCL-UHFFFAOYSA-N 0 0 146.193 2.085 10 30 AEEERN C=C1C[C@@]12CC[C@H](C)CC2=O 238450193 573617646 /nfs/dbraw/zinc/61/76/46/573617646.db2.gz GORJDENBXNDHPM-XVKPBYJWSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1ccccc1[C@@H](S)N(C)C 259528532 573617690 /nfs/dbraw/zinc/61/76/90/573617690.db2.gz NCBFODKTHFGNIG-SNVBAGLBSA-N 0 0 181.304 2.485 10 30 AEEERN C#CCCC[C@@H](O)c1csc(C)n1 126652280 573617749 /nfs/dbraw/zinc/61/77/49/573617749.db2.gz UBIGDUUAMRSPLS-SNVBAGLBSA-N 0 0 195.287 2.288 10 30 AEEERN CCCC(C)=NNCCOC(C)C 308407335 573617769 /nfs/dbraw/zinc/61/77/69/573617769.db2.gz KDXKUXIMQINHET-UHFFFAOYSA-N 0 0 186.299 2.177 10 30 AEEERN N#CCC(C(F)F)C(F)F 211952907 573617783 /nfs/dbraw/zinc/61/77/83/573617783.db2.gz JRFCIAUVIPXGSE-UHFFFAOYSA-N 0 0 155.094 2.046 10 30 AEEERN Cc1ccc(CC#N)c(N(C)C)c1 259529935 573617793 /nfs/dbraw/zinc/61/77/93/573617793.db2.gz RJJNLTFVKVGEIT-UHFFFAOYSA-N 0 0 174.247 2.127 10 30 AEEERN C#CCCC[C@H](O)c1csc(C)n1 126652425 573617797 /nfs/dbraw/zinc/61/77/97/573617797.db2.gz UBIGDUUAMRSPLS-JTQLQIEISA-N 0 0 195.287 2.288 10 30 AEEERN CC[C@]1(C)C[C@H](C=O)CCS1 75562984 573618027 /nfs/dbraw/zinc/61/80/27/573618027.db2.gz NJLQYHQXOBEBML-RKDXNWHRSA-N 0 0 172.293 2.497 10 30 AEEERN CC1(CC=O)C=CCC=C1 224410241 573618138 /nfs/dbraw/zinc/61/81/38/573618138.db2.gz ZEEPVBLPDNNNRP-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN CC[C@H](O)c1cccc(C#N)c1 96373580 573618196 /nfs/dbraw/zinc/61/81/96/573618196.db2.gz JKUICMQUKGWNDE-JTQLQIEISA-N 0 0 161.204 2.002 10 30 AEEERN N#C[C@H]1C[C@@H](c2ccsc2)CCN1 259529790 573618428 /nfs/dbraw/zinc/61/84/28/573618428.db2.gz BORWTWFXDUGFCE-WCBMZHEXSA-N 0 0 192.287 2.107 10 30 AEEERN CCC(=O)CC[C@](C)(Cl)C#N 75564024 573618749 /nfs/dbraw/zinc/61/87/49/573618749.db2.gz WPUUYVJZAQVWFE-QMMMGPOBSA-N 0 0 173.643 2.267 10 30 AEEERN C#CC[C@@]1(C)CC[C@H](C)CC1=O 238450821 573618798 /nfs/dbraw/zinc/61/87/98/573618798.db2.gz WBQQOXPMCAAPJL-ONGXEEELSA-N 0 0 164.248 2.405 10 30 AEEERN C[C@]1(C=O)CCC=C2[C@@H]1CCC[C@H]2O 238450155 573618820 /nfs/dbraw/zinc/61/88/20/573618820.db2.gz QALVHLJNSBXYRY-QJPTWQEYSA-N 0 0 194.274 2.073 10 30 AEEERN C[C@]1(C=O)COc2ccc(Cl)cc21 238450394 573619017 /nfs/dbraw/zinc/61/90/17/573619017.db2.gz UDRCOESDIZVVFT-JTQLQIEISA-N 0 0 196.633 2.189 10 30 AEEERN SCc1cc2ccccc2nn1 259533276 573620426 /nfs/dbraw/zinc/62/04/26/573620426.db2.gz QLBGRIQNUTWGKC-UHFFFAOYSA-N 0 0 176.244 2.060 10 30 AEEERN C[C@]1(C=O)CSc2ccccc21 238450427 573619230 /nfs/dbraw/zinc/61/92/30/573619230.db2.gz DJNBDSBGWAMXNS-JTQLQIEISA-N 0 0 178.256 2.249 10 30 AEEERN C=CCOC1=CC(=O)C[C@H](C)C1 238450291 573619250 /nfs/dbraw/zinc/61/92/50/573619250.db2.gz HFQFLUSHDBIICP-QMMMGPOBSA-N 0 0 166.220 2.072 10 30 AEEERN C[C@]1(C=O)CCCc2ccoc21 238450227 573619389 /nfs/dbraw/zinc/61/93/89/573619389.db2.gz AZJPOZRNZIYWRU-SNVBAGLBSA-N 0 0 164.204 2.073 10 30 AEEERN C=C1[C@@H](C)CC[C@]1(C)C=O 238450718 573619445 /nfs/dbraw/zinc/61/94/45/573619445.db2.gz NOTVQQFCRGQQIL-IONNQARKSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C=O)c1ccc(N(C)C)cc1 75567841 573619496 /nfs/dbraw/zinc/61/94/96/573619496.db2.gz UFHQYFBMYLNESW-SECBINFHSA-N 0 0 177.247 2.055 10 30 AEEERN C[C@H]1CC(=O)C=C2CCCC[C@]21CO 238450440 573619595 /nfs/dbraw/zinc/61/95/95/573619595.db2.gz RDLPAWCCHZZUDA-JOYOIKCWSA-N 0 0 194.274 2.074 10 30 AEEERN C=C1c2ccccc2C[C@]1(C)C=O 238450619 573619692 /nfs/dbraw/zinc/61/96/92/573619692.db2.gz DDWCOOGVZSAYOC-GFCCVEGCSA-N 0 0 172.227 2.461 10 30 AEEERN C[C@H]1C=CC(C)(C)[C@@H](C=O)C1 238450743 573619733 /nfs/dbraw/zinc/61/97/33/573619733.db2.gz OYQOVFPMKMUIOE-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN CN(c1ccccc1)C(C)(C)C#N 75564872 573619821 /nfs/dbraw/zinc/61/98/21/573619821.db2.gz MZXDMKCLWMJMOI-UHFFFAOYSA-N 0 0 174.247 2.425 10 30 AEEERN C[C@H]1CC(=O)C=C(C(C)(C)C)O1 238450066 573619883 /nfs/dbraw/zinc/61/98/83/573619883.db2.gz WDNKYFUPVAVZHP-ZETCQYMHSA-N 0 0 168.236 2.294 10 30 AEEERN N#Cc1c(CO)sc2ccccc12 306519415 573619898 /nfs/dbraw/zinc/61/98/98/573619898.db2.gz IUJRSZRQSJBCCF-UHFFFAOYSA-N 0 0 189.239 2.265 10 30 AEEERN C[C@@H]1CC(C=O)=C(O)CC(C)(C)C1 238450714 573619917 /nfs/dbraw/zinc/61/99/17/573619917.db2.gz COLVOMNKATYPGO-RKDXNWHRSA-N 0 0 182.263 2.217 10 30 AEEERN Cc1cc(CCC#N)c(C)cc1O 75565438 573620026 /nfs/dbraw/zinc/62/00/26/573620026.db2.gz JPTPWAIQRUPDEQ-UHFFFAOYSA-N 0 0 175.231 2.465 10 30 AEEERN C[C@]1(C=O)CCc2cc(F)ccc21 238450312 573620035 /nfs/dbraw/zinc/62/00/35/573620035.db2.gz GGCLTLCBBUTFOK-LLVKDONJSA-N 0 0 178.206 2.229 10 30 AEEERN C=C[C@@H]1CC(=O)C[C@H](C)C1 238450668 573620091 /nfs/dbraw/zinc/62/00/91/573620091.db2.gz VFKXASDLWHVPDM-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@]1(CC#N)COc2ccccc21 75563490 573620196 /nfs/dbraw/zinc/62/01/96/573620196.db2.gz KFLJBMMMJIFDAO-LLVKDONJSA-N 0 0 173.215 2.250 10 30 AEEERN Nc1ccc(C2(CS)CC2)cc1 259533249 573620229 /nfs/dbraw/zinc/62/02/29/573620229.db2.gz BGOLLAXKYLGIPU-UHFFFAOYSA-N 0 0 179.288 2.230 10 30 AEEERN Cc1ccc2ccc([C@H](N)C#N)nc2c1 259532194 573620333 /nfs/dbraw/zinc/62/03/33/573620333.db2.gz FJLMTBLCHIZTJW-SNVBAGLBSA-N 0 0 197.241 2.067 10 30 AEEERN Cc1ncc(C(=O)CCCCC#N)o1 259531899 573620450 /nfs/dbraw/zinc/62/04/50/573620450.db2.gz BTRDBUIYPCCBCQ-UHFFFAOYSA-N 0 0 192.218 2.250 10 30 AEEERN C[C@@H]1c2ccccc2[C@@H]2C[C@@]21C=O 238451946 573620918 /nfs/dbraw/zinc/62/09/18/573620918.db2.gz DAMLZELWNJWDKD-ZHAHWJHGSA-N 0 0 172.227 2.476 10 30 AEEERN CCN(CCC#N)[C@@H](C)C(F)(F)F 308408063 573621039 /nfs/dbraw/zinc/62/10/39/573621039.db2.gz KPWCUQIQIRYGLZ-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C=C1CC(C)(C)C(C)=CC1=O 142830134 573621175 /nfs/dbraw/zinc/62/11/75/573621175.db2.gz ASMKRRGQZSAHRC-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](C#N)Cc1ccc(O)c(F)c1 259531100 573621196 /nfs/dbraw/zinc/62/11/96/573621196.db2.gz ABBJRUXEOSARHD-ZETCQYMHSA-N 0 0 179.194 2.233 10 30 AEEERN CCOC[C@]1(C)CCC[C@H](CC#N)O1 308644150 573621221 /nfs/dbraw/zinc/62/12/21/573621221.db2.gz FZXSAZPPIQTXOA-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN C[C@]1(CC=O)Cc2ccccc21 238451794 573621292 /nfs/dbraw/zinc/62/12/92/573621292.db2.gz LPHQYPUVBQRJKF-NSHDSACASA-N 0 0 160.216 2.089 10 30 AEEERN C=C1C[C@H](C)[C@H](C)C[C@@H]1CO 238452150 573621301 /nfs/dbraw/zinc/62/13/01/573621301.db2.gz LTAIITAXFGVBJZ-QXFUBDJGSA-N 0 0 154.253 2.217 10 30 AEEERN COCCCC1(C#N)CCC1 83776014 573621327 /nfs/dbraw/zinc/62/13/27/573621327.db2.gz LPFAMDARONDNMI-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN N#C[C@]1(Cc2ccccc2)CCOC1 83776371 573621338 /nfs/dbraw/zinc/62/13/38/573621338.db2.gz RDBYWDMZTYNPRV-GFCCVEGCSA-N 0 0 187.242 2.159 10 30 AEEERN CCN(CC)c1cc(C)ncc1C#N 75563184 573621351 /nfs/dbraw/zinc/62/13/51/573621351.db2.gz MXCMZMUSEWYBNS-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN N#C[C@]1(CC2CCCC2)CCOC1 83776431 573621358 /nfs/dbraw/zinc/62/13/58/573621358.db2.gz CZZRLTXTMIZSNY-LLVKDONJSA-N 0 0 179.263 2.497 10 30 AEEERN C[C@](S)(CCO)c1ccccc1 238452887 573621454 /nfs/dbraw/zinc/62/14/54/573621454.db2.gz UIKLAJUUWSBGHD-JTQLQIEISA-N 0 0 182.288 2.214 10 30 AEEERN C=CC[C@@](C#N)(CC(=C)C)N(C)C 75568828 573624149 /nfs/dbraw/zinc/62/41/49/573624149.db2.gz HHXBNENRCCDEFS-NSHDSACASA-N 0 0 178.279 2.353 10 30 AEEERN CC(C)CC[C@]1(C#N)CCOC1 83776342 573624192 /nfs/dbraw/zinc/62/41/92/573624192.db2.gz PECKPHWNHCCVSV-SNVBAGLBSA-N 0 0 167.252 2.353 10 30 AEEERN CC(C)CC1(C#N)CCOCC1 83776266 573623012 /nfs/dbraw/zinc/62/30/12/573623012.db2.gz UZLAIDJAARDULP-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN N#C[C@@]1(Cc2ccco2)CCCC1=O 83776645 573623065 /nfs/dbraw/zinc/62/30/65/573623065.db2.gz LQCFPNAKKPVUAF-NSHDSACASA-N 0 0 189.214 2.085 10 30 AEEERN CC(C)(C#N)Cc1ccco1 83775560 573623070 /nfs/dbraw/zinc/62/30/70/573623070.db2.gz QWZUQYQPNHDUBW-UHFFFAOYSA-N 0 0 149.193 2.372 10 30 AEEERN C#CC(=O)[C@@]12CCC=C1[C@@H](C)CC2 238452682 573623109 /nfs/dbraw/zinc/62/31/09/573623109.db2.gz WWGPNUUKNVNZMB-JOYOIKCWSA-N 0 0 174.243 2.325 10 30 AEEERN N#C[C@]1(Cc2cccs2)CCOC1 83776391 573623218 /nfs/dbraw/zinc/62/32/18/573623218.db2.gz JOZMMUCDKSAILA-SNVBAGLBSA-N 0 0 193.271 2.221 10 30 AEEERN CC[C@H](C)C[C@@]1(C#N)CCOC1 83776449 573623267 /nfs/dbraw/zinc/62/32/67/573623267.db2.gz JIKAHLVZCMOARJ-VHSXEESVSA-N 0 0 167.252 2.353 10 30 AEEERN N#Cc1ccc2c(c1)C(N)C(=O)S2 306669929 573624241 /nfs/dbraw/zinc/62/42/41/573624241.db2.gz BUDGLMYBCQHGPV-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CCCC[C@]1(C#N)CCCC1=O 83776675 573623528 /nfs/dbraw/zinc/62/35/28/573623528.db2.gz HJJQMSUSUGHYIT-SNVBAGLBSA-N 0 0 165.236 2.440 10 30 AEEERN CCC[C@@]1(C#N)CCCCC1=O 83776604 573623566 /nfs/dbraw/zinc/62/35/66/573623566.db2.gz HKSUQRUSMVSBQR-JTQLQIEISA-N 0 0 165.236 2.440 10 30 AEEERN C#CC[C@H](CCC1CCCCC1)NN 126669602 573623573 /nfs/dbraw/zinc/62/35/73/573623573.db2.gz PNSJOQAVYIBEOT-GFCCVEGCSA-N 0 0 194.322 2.202 10 30 AEEERN Cc1cccc(Cc2oncc2C#N)c1 259531984 573623628 /nfs/dbraw/zinc/62/36/28/573623628.db2.gz BUZCEFWRQPISNS-UHFFFAOYSA-N 0 0 198.225 2.446 10 30 AEEERN N#CC1(CC2CCOCC2)CCC1 83776023 573623650 /nfs/dbraw/zinc/62/36/50/573623650.db2.gz CQVDUKRBATWCLG-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN CC(=O)[C@](C)(C#N)Cc1ccccc1 83776835 573623669 /nfs/dbraw/zinc/62/36/69/573623669.db2.gz CJKURGFKBMKDLQ-LBPRGKRZSA-N 0 0 187.242 2.348 10 30 AEEERN CC1=C(C)C[C@]2(C=O)OCC[C@@H]2C1 75570167 573623689 /nfs/dbraw/zinc/62/36/89/573623689.db2.gz YVQICENDBFETPB-GHMZBOCLSA-N 0 0 180.247 2.091 10 30 AEEERN CCCC1(C#N)CCOCC1 83776276 573623739 /nfs/dbraw/zinc/62/37/39/573623739.db2.gz AWDPTVCXZKYMNL-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN C[C@@]12CCCC[C@]1(C=O)C(=O)CC2 75570144 573623778 /nfs/dbraw/zinc/62/37/78/573623778.db2.gz MKRJPPUJJARDRF-QWRGUYRKSA-N 0 0 180.247 2.115 10 30 AEEERN N#CCCC1(CCC#N)CCCO1 75568634 573623786 /nfs/dbraw/zinc/62/37/86/573623786.db2.gz ILVQYCHZALEENL-UHFFFAOYSA-N 0 0 178.235 2.143 10 30 AEEERN C=C1[C@@H](C(=O)C(C)(C)C)[C@H]1C 238452813 573623797 /nfs/dbraw/zinc/62/37/97/573623797.db2.gz FYLPPYRORLBXDA-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN C#C[C@H](C)C[C@H](O)c1ccccc1 238451492 573623822 /nfs/dbraw/zinc/62/38/22/573623822.db2.gz FFGCQFIPBJAOCL-JQWIXIFHSA-N 0 0 174.243 2.379 10 30 AEEERN CCCC[C@]1(C#N)CCOC1 83776350 573623827 /nfs/dbraw/zinc/62/38/27/573623827.db2.gz YZOWITWEIQCNGO-SECBINFHSA-N 0 0 153.225 2.107 10 30 AEEERN CC[C@@](C)(C#N)C[C@@H]1CCCO1 83775746 573623836 /nfs/dbraw/zinc/62/38/36/573623836.db2.gz ITKBHPOPISBLRJ-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC(=O)C[C@H](C#N)C1(C)C 238452695 573623837 /nfs/dbraw/zinc/62/38/37/573623837.db2.gz CXQSMJOOXJDCAZ-JGVFFNPUSA-N 0 0 165.236 2.151 10 30 AEEERN CCCC[C@@](C)(C#N)C(C)=O 83776817 573623843 /nfs/dbraw/zinc/62/38/43/573623843.db2.gz ASKLKOMEBMKOKS-VIFPVBQESA-N 0 0 153.225 2.295 10 30 AEEERN CC(C)(C#N)[C@@H](N)c1cccc(F)c1 259530989 573623864 /nfs/dbraw/zinc/62/38/64/573623864.db2.gz SVFRYWITPZVGHF-JTQLQIEISA-N 0 0 192.237 2.375 10 30 AEEERN C[C@]1(CC=O)COC2(CCCCC2)O1 238451776 573623907 /nfs/dbraw/zinc/62/39/07/573623907.db2.gz PRUMHUDVZZYFBU-JTQLQIEISA-N 0 0 198.262 2.041 10 30 AEEERN Cc1ccsc1CNCS 258823429 573623929 /nfs/dbraw/zinc/62/39/29/573623929.db2.gz AONWLPDPFRVHNS-UHFFFAOYSA-N 0 0 173.306 2.033 10 30 AEEERN N#C[C@]1(Cc2ccsc2)CCOC1 83776427 573623994 /nfs/dbraw/zinc/62/39/94/573623994.db2.gz WMKQMKIWPCDEMG-SNVBAGLBSA-N 0 0 193.271 2.221 10 30 AEEERN CC1=C(C)[C@H]2[C@H](C)[C@@]2(C)C1=O 238451549 573624013 /nfs/dbraw/zinc/62/40/13/573624013.db2.gz VOHTZROQNGYUOY-OYNCUSHFSA-N 0 0 150.221 2.178 10 30 AEEERN C#C/C=C/N[C@@H](C)c1ccccc1 238451506 573624020 /nfs/dbraw/zinc/62/40/20/573624020.db2.gz JXFCHTPNRFYENU-INJWIWPUSA-N 0 0 171.243 2.484 10 30 AEEERN CC1=CC[C@H]([C@](C)(O)CC#N)CC1 75569589 573625150 /nfs/dbraw/zinc/62/51/50/573625150.db2.gz RMYLKZWTQCAYBP-WDEREUQCSA-N 0 0 179.263 2.397 10 30 AEEERN C[C@H]1CCC[C@@H](S)C(=O)CC1 238451424 573624302 /nfs/dbraw/zinc/62/43/02/573624302.db2.gz YBTHBCFYRWZWCX-IONNQARKSA-N 0 0 172.293 2.454 10 30 AEEERN CC[C@@H](C)C[C@]1(C#N)CCOC1 83776446 573624393 /nfs/dbraw/zinc/62/43/93/573624393.db2.gz JIKAHLVZCMOARJ-ZJUUUORDSA-N 0 0 167.252 2.353 10 30 AEEERN CCOC[C@]1(C)CCC[C@@H](CC#N)O1 308644151 573624438 /nfs/dbraw/zinc/62/44/38/573624438.db2.gz FZXSAZPPIQTXOA-QWRGUYRKSA-N 0 0 197.278 2.264 10 30 AEEERN N#C[C@@]1(Cc2ccsc2)CCOC1 83776426 573624443 /nfs/dbraw/zinc/62/44/43/573624443.db2.gz WMKQMKIWPCDEMG-JTQLQIEISA-N 0 0 193.271 2.221 10 30 AEEERN C[C@]1(CC=O)CCc2ccccc21 238451745 573624454 /nfs/dbraw/zinc/62/44/54/573624454.db2.gz FBBJEBVJKMZHNO-GFCCVEGCSA-N 0 0 174.243 2.480 10 30 AEEERN CCCC[C@](C)(C#N)C(C)=O 83776818 573624510 /nfs/dbraw/zinc/62/45/10/573624510.db2.gz ASKLKOMEBMKOKS-SECBINFHSA-N 0 0 153.225 2.295 10 30 AEEERN C=CC[C@]1(C)c2ccccc2O[C@@H]1O 238451661 573624552 /nfs/dbraw/zinc/62/45/52/573624552.db2.gz IJDHGWHGSWPWIW-NWDGAFQWSA-N 0 0 190.242 2.231 10 30 AEEERN CCC[C@@H](OCC)C(=O)C1=COCC1 308658578 573624658 /nfs/dbraw/zinc/62/46/58/573624658.db2.gz OQSWSAZLLYBZTD-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN CC[C@](C)(C#N)C[C@@H]1CCCO1 83775745 573624692 /nfs/dbraw/zinc/62/46/92/573624692.db2.gz ITKBHPOPISBLRJ-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CCC[C@H](OCC)C(=O)C1=COCC1 308658577 573624751 /nfs/dbraw/zinc/62/47/51/573624751.db2.gz OQSWSAZLLYBZTD-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C[C@H]1CCC[C@@H]1CCC=O 238451711 573624756 /nfs/dbraw/zinc/62/47/56/573624756.db2.gz YIHOLUYUAFHUKU-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C(C=O)=C1O 198384456 573624825 /nfs/dbraw/zinc/62/48/25/573624825.db2.gz MXTXPQAWZQKTNW-BBBLOLIVSA-N 0 0 182.263 2.073 10 30 AEEERN CC[C@@H](C)C[C@@]1(C#N)CCOC1 83776448 573624893 /nfs/dbraw/zinc/62/48/93/573624893.db2.gz JIKAHLVZCMOARJ-NXEZZACHSA-N 0 0 167.252 2.353 10 30 AEEERN C[C@@H](C#N)Cc1ccc(O)c(F)c1 259531098 573624929 /nfs/dbraw/zinc/62/49/29/573624929.db2.gz ABBJRUXEOSARHD-SSDOTTSWSA-N 0 0 179.194 2.233 10 30 AEEERN CC(C)CC[C@@]1(C#N)CCOC1 83776343 573624934 /nfs/dbraw/zinc/62/49/34/573624934.db2.gz PECKPHWNHCCVSV-JTQLQIEISA-N 0 0 167.252 2.353 10 30 AEEERN CCC[C@]1(C#N)CCCC1=O 83776711 573624947 /nfs/dbraw/zinc/62/49/47/573624947.db2.gz LZJBIUPUXRXGRG-SECBINFHSA-N 0 0 151.209 2.049 10 30 AEEERN N#CC1(Cc2cscn2)CCC1 83776040 573624973 /nfs/dbraw/zinc/62/49/73/573624973.db2.gz LJCJIKAKYNNASP-UHFFFAOYSA-N 0 0 178.260 2.379 10 30 AEEERN CCOC[C@@]1(C)CCC[C@H](CC#N)O1 308644149 573625028 /nfs/dbraw/zinc/62/50/28/573625028.db2.gz FZXSAZPPIQTXOA-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN C=CC[C@](C#N)([C@@H](C)C=C)N(C)C 75568836 573625043 /nfs/dbraw/zinc/62/50/43/573625043.db2.gz GYEOTWLPHMXFMH-QWRGUYRKSA-N 0 0 178.279 2.209 10 30 AEEERN CC1=C(C)C[C@@]2(C=O)OCC[C@H]2C1 75570168 573625055 /nfs/dbraw/zinc/62/50/55/573625055.db2.gz YVQICENDBFETPB-QWRGUYRKSA-N 0 0 180.247 2.091 10 30 AEEERN CC1=C(C)C[C@@]2(C=O)OCC[C@@H]2C1 75570166 573625059 /nfs/dbraw/zinc/62/50/59/573625059.db2.gz YVQICENDBFETPB-MNOVXSKESA-N 0 0 180.247 2.091 10 30 AEEERN C#CC[C@@H](NN)[C@H](CC)CCCC 126662458 573625060 /nfs/dbraw/zinc/62/50/60/573625060.db2.gz BZHGEYYMYXCLIV-GHMZBOCLSA-N 0 0 182.311 2.058 10 30 AEEERN CCCC[C@@]1(C#N)CCCC1=O 83776676 573625070 /nfs/dbraw/zinc/62/50/70/573625070.db2.gz HJJQMSUSUGHYIT-JTQLQIEISA-N 0 0 165.236 2.440 10 30 AEEERN N#CC1(Cc2ccco2)CCOCC1 83776243 573625074 /nfs/dbraw/zinc/62/50/74/573625074.db2.gz KEIKQEDEGQFPQO-UHFFFAOYSA-N 0 0 191.230 2.142 10 30 AEEERN CC(C)(C#N)CC[C@@H]1CCCO1 83775627 573625102 /nfs/dbraw/zinc/62/51/02/573625102.db2.gz MXFAVMHLOHQSAI-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H](C)C[C@]1(C#N)CCOC1 83776447 573625957 /nfs/dbraw/zinc/62/59/57/573625957.db2.gz JIKAHLVZCMOARJ-UWVGGRQHSA-N 0 0 167.252 2.353 10 30 AEEERN N#C[C@@]1(Cc2cccs2)CCOC1 83776390 573626006 /nfs/dbraw/zinc/62/60/06/573626006.db2.gz JOZMMUCDKSAILA-JTQLQIEISA-N 0 0 193.271 2.221 10 30 AEEERN CCCC[C@@]1(C#N)CCOC1 83776351 573626022 /nfs/dbraw/zinc/62/60/22/573626022.db2.gz YZOWITWEIQCNGO-VIFPVBQESA-N 0 0 153.225 2.107 10 30 AEEERN CC(C)(C#N)Cc1cscn1 83775626 573626192 /nfs/dbraw/zinc/62/61/92/573626192.db2.gz IEWPBVUJYVAFSL-UHFFFAOYSA-N 0 0 166.249 2.235 10 30 AEEERN Cc1ccc([C@H](C)C#N)nc1 259533052 573626307 /nfs/dbraw/zinc/62/63/07/573626307.db2.gz AIQHZVDWCUTWTN-MRVPVSSYSA-N 0 0 146.193 2.017 10 30 AEEERN C[C@H]1CCC[C@@H]2CC(=O)C(=O)C12 238453186 573626325 /nfs/dbraw/zinc/62/63/25/573626325.db2.gz RYSPMUBMELAVRD-NKWVEPMBSA-N 0 0 166.220 2.208 10 30 AEEERN CC[C@@](C)(C#N)C[C@H]1CCCO1 83775748 573626338 /nfs/dbraw/zinc/62/63/38/573626338.db2.gz ITKBHPOPISBLRJ-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN N#Cc1cccc2cnnc(Cl)c12 259535313 573626377 /nfs/dbraw/zinc/62/63/77/573626377.db2.gz CADADROPQIRGBF-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN COc1ccc2occ(CC=O)c2c1 258072455 573626578 /nfs/dbraw/zinc/62/65/78/573626578.db2.gz GYNHKRUSANLXAS-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN N#C[C@H](N)c1cccc(C(F)F)c1 124761629 573626580 /nfs/dbraw/zinc/62/65/80/573626580.db2.gz ALFDOUSCNSDWIY-QMMMGPOBSA-N 0 0 182.173 2.148 10 30 AEEERN CCc1ccc(/C=N\O)s1 213163150 573626756 /nfs/dbraw/zinc/62/67/56/573626756.db2.gz VTJKTCMLDMSRDQ-YVMONPNESA-N 0 0 155.222 2.119 10 30 AEEERN N#C[C@@H](N)c1cccc(C(F)F)c1 124761389 573626804 /nfs/dbraw/zinc/62/68/04/573626804.db2.gz ALFDOUSCNSDWIY-MRVPVSSYSA-N 0 0 182.173 2.148 10 30 AEEERN C[C@@H](S)Cc1ccc(N)cc1 259535712 573626827 /nfs/dbraw/zinc/62/68/27/573626827.db2.gz BLIXAGCMUZUNCV-SSDOTTSWSA-N 0 0 167.277 2.130 10 30 AEEERN N#Cc1cc2c(F)cc(F)cc2cn1 259533728 573626866 /nfs/dbraw/zinc/62/68/66/573626866.db2.gz BYNXMDONILVODS-UHFFFAOYSA-N 0 0 190.152 2.385 10 30 AEEERN CCC[C@H]1C[C@@H](C#N)CCC1=O 259535003 573626882 /nfs/dbraw/zinc/62/68/82/573626882.db2.gz FPKBDGXEHDVGLC-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CCC[C@](C)(CCC=O)C1=O 75576079 573631214 /nfs/dbraw/zinc/63/12/14/573631214.db2.gz LQZFNADSGVMIQG-GXSJLCMTSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@@]1(C=O)CCc2ccccc2C1=O 75578545 573628075 /nfs/dbraw/zinc/62/80/75/573628075.db2.gz RBHDXGKTFJMEPO-LBPRGKRZSA-N 0 0 188.226 2.021 10 30 AEEERN CC(=O)[C@@H]1CCC2=C([C@H](C=O)C2)[C@@H]1C 238453193 573627799 /nfs/dbraw/zinc/62/77/99/573627799.db2.gz ZODBDHBQPVQRHF-PPKCKEKNSA-N 0 0 192.258 2.137 10 30 AEEERN CC1=C[C@](C)(C=O)Oc2ccccc21 75578517 573627841 /nfs/dbraw/zinc/62/78/41/573627841.db2.gz HXNHEDGOMVOBLU-GFCCVEGCSA-N 0 0 188.226 2.440 10 30 AEEERN CC(=O)[C@@](C)(C#N)Cc1ccsc1 83776888 573627975 /nfs/dbraw/zinc/62/79/75/573627975.db2.gz FXPNMGHTJDOZFI-SNVBAGLBSA-N 0 0 193.271 2.409 10 30 AEEERN CCCC(CC)=NO[C@H]1CCOC1 308409527 573628011 /nfs/dbraw/zinc/62/80/11/573628011.db2.gz LCUVAZJSUZIFAW-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN CCc1nc(C)nc(CCC#N)c1C 259533669 573628004 /nfs/dbraw/zinc/62/80/04/573628004.db2.gz BXMXHLLZLXNJGL-UHFFFAOYSA-N 0 0 189.262 2.112 10 30 AEEERN N#Cc1cnoc1Cc1cccs1 259533743 573628051 /nfs/dbraw/zinc/62/80/51/573628051.db2.gz BYUBUSXXDGYWGS-UHFFFAOYSA-N 0 0 190.227 2.199 10 30 AEEERN COCC[C@@]1(C#N)CC[C@H](C)C1 83782068 573628053 /nfs/dbraw/zinc/62/80/53/573628053.db2.gz JCKPTIFODFYYNH-UWVGGRQHSA-N 0 0 167.252 2.353 10 30 AEEERN CC1=CC(=O)c2c1ccc(C=O)c2C 75577132 573629689 /nfs/dbraw/zinc/62/96/89/573629689.db2.gz RUCFKXMTCLZJHX-UHFFFAOYSA-N 0 0 186.210 2.407 10 30 AEEERN N#Cc1csc(C=O)c1Cl 84239158 573630682 /nfs/dbraw/zinc/63/06/82/573630682.db2.gz BVFSVQRHFKTEMM-UHFFFAOYSA-N 0 0 171.608 2.086 10 30 AEEERN CC(=O)[C@](C)(C#N)Cc1ccsc1 83776887 573630727 /nfs/dbraw/zinc/63/07/27/573630727.db2.gz FXPNMGHTJDOZFI-JTQLQIEISA-N 0 0 193.271 2.409 10 30 AEEERN C=C1C(=C)[C@@H]2C(=O)[C@H]1[C@@H](C)[C@@H]2C 238459217 573630782 /nfs/dbraw/zinc/63/07/82/573630782.db2.gz PMLIWHUANQYHCQ-AATLWQCWSA-N 0 0 162.232 2.200 10 30 AEEERN C[C@@H](C=O)Cc1ccc(Cl)cc1O 238459480 573630796 /nfs/dbraw/zinc/63/07/96/573630796.db2.gz DQWAFBOTAWGQSN-SSDOTTSWSA-N 0 0 198.649 2.423 10 30 AEEERN Cc1c(C#N)c2cc(O)ccc2n1C 75577146 573631063 /nfs/dbraw/zinc/63/10/63/573631063.db2.gz XSVMCZGEXTYYPH-UHFFFAOYSA-N 0 0 186.214 2.064 10 30 AEEERN N#CCCC(=O)CCc1ccccc1 75577834 573630940 /nfs/dbraw/zinc/63/09/40/573630940.db2.gz ABDNYTNRBATLSX-UHFFFAOYSA-N 0 0 187.242 2.492 10 30 AEEERN COc1cc2[nH]c(C#N)cc2cc1F 259533555 573631078 /nfs/dbraw/zinc/63/10/78/573631078.db2.gz BVVLVVQFUXDKFN-UHFFFAOYSA-N 0 0 190.177 2.187 10 30 AEEERN C[C@]1(N=C2CCCC2)CCC[C@H]1O 238459208 573631131 /nfs/dbraw/zinc/63/11/31/573631131.db2.gz ADUBRBJTBSPVQF-MNOVXSKESA-N 0 0 181.279 2.305 10 30 AEEERN C=C1C(=O)[C@@H](C)CC1(C)C 238460020 573631238 /nfs/dbraw/zinc/63/12/38/573631238.db2.gz FXYRXBLEQWEMBH-LURJTMIESA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)[C@@](C)(C#N)Cc1cccs1 83776856 573631277 /nfs/dbraw/zinc/63/12/77/573631277.db2.gz MAZYBUIWOUZAQB-SNVBAGLBSA-N 0 0 193.271 2.409 10 30 AEEERN CN[C@H](CC#N)c1ccc(F)c(C)c1 259143146 573634174 /nfs/dbraw/zinc/63/41/74/573634174.db2.gz CDULNMQVVWAWEL-LLVKDONJSA-N 0 0 192.237 2.308 10 30 AEEERN Fc1cccc(CC[C@H]2CO2)c1F 107507135 573634184 /nfs/dbraw/zinc/63/41/84/573634184.db2.gz YZUFBOVYVBJPST-QMMMGPOBSA-N 0 0 184.185 2.296 10 30 AEEERN C=CCCCC(=O)[C@H](OC)C1CC1 132124182 573633103 /nfs/dbraw/zinc/63/31/03/573633103.db2.gz RJAZKRPHKQMTKO-LLVKDONJSA-N 0 0 182.263 2.337 10 30 AEEERN Cc1cc2c(s1)CC[C@@H](C#N)[C@@H]2O 75581403 573633200 /nfs/dbraw/zinc/63/32/00/573633200.db2.gz WDXLPHLSKDVEJC-XVKPBYJWSA-N 0 0 193.271 2.176 10 30 AEEERN Cc1ccc2ncoc2c1C#N 259536200 573633270 /nfs/dbraw/zinc/63/32/70/573633270.db2.gz FVHSPZWAIZMYIX-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN C[C@]1(N=C2CCCC2)CCC[C@@H]1O 238459191 573633341 /nfs/dbraw/zinc/63/33/41/573633341.db2.gz ADUBRBJTBSPVQF-QWRGUYRKSA-N 0 0 181.279 2.305 10 30 AEEERN COc1ccc([C@]2(C)C[C@@H]2C=O)cc1 257834988 573633378 /nfs/dbraw/zinc/63/33/78/573633378.db2.gz KLDBTJGMZAYKRX-PWSUYJOCSA-N 0 0 190.242 2.172 10 30 AEEERN COc1ccc([C@@]2(C)C[C@@H]2C=O)cc1 257834989 573633487 /nfs/dbraw/zinc/63/34/87/573633487.db2.gz KLDBTJGMZAYKRX-ZYHUDNBSSA-N 0 0 190.242 2.172 10 30 AEEERN Cc1cscc1C(=O)CC#N 86815689 573633509 /nfs/dbraw/zinc/63/35/09/573633509.db2.gz FXNYBBRUVOTXLL-UHFFFAOYSA-N 0 0 165.217 2.153 10 30 AEEERN Cc1nc(-c2cc[nH]c2)c(C#N)s1 259143819 573633632 /nfs/dbraw/zinc/63/36/32/573633632.db2.gz HXZCRZYCKDFXFN-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN Cc1cc(C#N)cc([C@@H](C)O)c1C 258074491 573634215 /nfs/dbraw/zinc/63/42/15/573634215.db2.gz UUMWXHJXMWVONX-SECBINFHSA-N 0 0 175.231 2.228 10 30 AEEERN Fc1cccc(F)c1CC[C@H]1CO1 107505962 573633757 /nfs/dbraw/zinc/63/37/57/573633757.db2.gz YMEQKNSNCWBCRA-ZETCQYMHSA-N 0 0 184.185 2.296 10 30 AEEERN CN[C@@H](CC#N)c1ccc(F)c(C)c1 259143150 573633794 /nfs/dbraw/zinc/63/37/94/573633794.db2.gz CDULNMQVVWAWEL-NSHDSACASA-N 0 0 192.237 2.308 10 30 AEEERN C[C@@H](C=O)Cc1ccc(F)cc1C#N 238460122 573633820 /nfs/dbraw/zinc/63/38/20/573633820.db2.gz QGOBNNVXLXRUNV-MRVPVSSYSA-N 0 0 191.205 2.075 10 30 AEEERN CC[C@@H](C#N)C1(c2ccco2)COC1 258826479 573633839 /nfs/dbraw/zinc/63/38/39/573633839.db2.gz ZCOVPUZWTAUNAW-VIFPVBQESA-N 0 0 191.230 2.097 10 30 AEEERN Oc1ccccc1N=Cc1ccc[nH]1 254753325 573633860 /nfs/dbraw/zinc/63/38/60/573633860.db2.gz YJSKEQJZATYELD-UHFFFAOYSA-N 0 0 186.214 2.471 10 30 AEEERN Cc1cc(O)c(C(F)F)nc1CC#N 238466778 573633892 /nfs/dbraw/zinc/63/38/92/573633892.db2.gz CSYHWPZBHMYVHO-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Fc1cccc(CC[C@@H]2CO2)c1F 107507132 573634133 /nfs/dbraw/zinc/63/41/33/573634133.db2.gz YZUFBOVYVBJPST-MRVPVSSYSA-N 0 0 184.185 2.296 10 30 AEEERN Cc1cc2c(s1)CC[C@H](C#N)[C@@H]2O 75581402 573634139 /nfs/dbraw/zinc/63/41/39/573634139.db2.gz WDXLPHLSKDVEJC-XCBNKYQSSA-N 0 0 193.271 2.176 10 30 AEEERN COc1cc(F)cc(C#N)c1Cl 258072852 573634273 /nfs/dbraw/zinc/63/42/73/573634273.db2.gz MLEGGVSPWRTKOL-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN C=CCCC(=O)[C@@H](OCC)C1CC1 132144253 573634279 /nfs/dbraw/zinc/63/42/79/573634279.db2.gz RDAOEHMPIOBKPO-NSHDSACASA-N 0 0 182.263 2.337 10 30 AEEERN C#CCCC(=O)[C@@H]1CC[C@@H](C)C1 83784782 573635307 /nfs/dbraw/zinc/63/53/07/573635307.db2.gz MCNAIPUCWWIADJ-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN Fc1ccc(CC[C@@H]2CO2)cc1 107559399 573635833 /nfs/dbraw/zinc/63/58/33/573635833.db2.gz YWGFIRQGBKIWLB-SNVBAGLBSA-N 0 0 166.195 2.157 10 30 AEEERN N#CC1(c2ccsc2)CCOCC1 75581406 573635320 /nfs/dbraw/zinc/63/53/20/573635320.db2.gz JSMVNTLACYCCIR-UHFFFAOYSA-N 0 0 193.271 2.320 10 30 AEEERN C[C@H](C=O)[C@@H](C)OCc1ccccc1 75580924 573635373 /nfs/dbraw/zinc/63/53/73/573635373.db2.gz VQQHSISYNCIVGD-GHMZBOCLSA-N 0 0 192.258 2.427 10 30 AEEERN Cc1ccc2c(c1)[C@@H](CC=O)CO2 258073044 573635444 /nfs/dbraw/zinc/63/54/44/573635444.db2.gz MKLMELOKPXZRHL-VIFPVBQESA-N 0 0 176.215 2.060 10 30 AEEERN C[C@H](C=O)[C@H](C)OCc1ccccc1 75580926 573635473 /nfs/dbraw/zinc/63/54/73/573635473.db2.gz VQQHSISYNCIVGD-MNOVXSKESA-N 0 0 192.258 2.427 10 30 AEEERN Cc1cc2c(s1)CC[C@@H](C#N)[C@H]2O 75581405 573635550 /nfs/dbraw/zinc/63/55/50/573635550.db2.gz WDXLPHLSKDVEJC-OIBJUYFYSA-N 0 0 193.271 2.176 10 30 AEEERN C[C@H]1CC(C)(C)CC(=O)[C@H]1S 238460462 573635553 /nfs/dbraw/zinc/63/55/53/573635553.db2.gz IXLJYCWBPUGYKJ-XPUUQOCRSA-N 0 0 172.293 2.310 10 30 AEEERN Cc1ncc(C(F)F)c(F)c1C#N 238461133 573635612 /nfs/dbraw/zinc/63/56/12/573635612.db2.gz TYCYFOZDYDIKRB-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C[C@H]1CCC[C@H](S)C(=O)CC1 238460646 573635620 /nfs/dbraw/zinc/63/56/20/573635620.db2.gz YBTHBCFYRWZWCX-CBAPKCEASA-N 0 0 172.293 2.454 10 30 AEEERN Cc1ccc(CF)cc1C#N 258074702 573635662 /nfs/dbraw/zinc/63/56/62/573635662.db2.gz UXQWBACTINJHMV-UHFFFAOYSA-N 0 0 149.168 2.336 10 30 AEEERN O=C[C@H](F)C[C@H]1CCCSC1 257834965 573635711 /nfs/dbraw/zinc/63/57/11/573635711.db2.gz KVSFSXCTZQKDFS-HTQZYQBOSA-N 0 0 176.256 2.057 10 30 AEEERN C[C@@H](C=O)Cc1ccc(N)c(Cl)c1 238460604 573635769 /nfs/dbraw/zinc/63/57/69/573635769.db2.gz XXFXELDYBBFZEP-SSDOTTSWSA-N 0 0 197.665 2.300 10 30 AEEERN Cc1cc(C)c(C(=O)[C@H]2CO2)c(C)c1 259146906 573635776 /nfs/dbraw/zinc/63/57/76/573635776.db2.gz KCAZXIUFIHXKET-SNVBAGLBSA-N 0 0 190.242 2.193 10 30 AEEERN C=CC/C(C)=C\CCCO 238476548 573637146 /nfs/dbraw/zinc/63/71/46/573637146.db2.gz BLEHVLWDLBCYTO-CLFYSBASSA-N 0 0 140.226 2.281 10 30 AEEERN O=C[C@H](F)C[C@@H]1CCCSC1 257834967 573636710 /nfs/dbraw/zinc/63/67/10/573636710.db2.gz KVSFSXCTZQKDFS-JGVFFNPUSA-N 0 0 176.256 2.057 10 30 AEEERN O=C1C=C(Cc2nccs2)CCC1 86828281 573636796 /nfs/dbraw/zinc/63/67/96/573636796.db2.gz ASVQGESZTXVYGR-UHFFFAOYSA-N 0 0 193.271 2.365 10 30 AEEERN C#CCCc1cc(O)ccc1C 238460285 573636847 /nfs/dbraw/zinc/63/68/47/573636847.db2.gz PLODFMOGNDERRB-UHFFFAOYSA-N 0 0 160.216 2.266 10 30 AEEERN O=C[C@@H](F)C[C@@H]1CCCSC1 257834969 573637023 /nfs/dbraw/zinc/63/70/23/573637023.db2.gz KVSFSXCTZQKDFS-YUMQZZPRSA-N 0 0 176.256 2.057 10 30 AEEERN C=CCC[C@@]12C=C[C@@H](CC(=O)C1)O2 224466491 573639385 /nfs/dbraw/zinc/63/93/85/573639385.db2.gz TYUWJNJOWKFSDN-WDEREUQCSA-N 0 0 178.231 2.009 10 30 AEEERN C[C@@]1(C#N)COc2ccccc2C1 83791960 573639401 /nfs/dbraw/zinc/63/94/01/573639401.db2.gz MJDBOHAOYVTXDR-LLVKDONJSA-N 0 0 173.215 2.151 10 30 AEEERN Cc1nsc(N=[N+]=[N-])c1C#N 223219932 573639409 /nfs/dbraw/zinc/63/94/09/573639409.db2.gz LFWVWBRWTAJQPM-UHFFFAOYSA-N 0 0 165.181 2.265 10 30 AEEERN C#CCCNc1ccncc1Cl 86831322 573639678 /nfs/dbraw/zinc/63/96/78/573639678.db2.gz MTVBWBOPEBFQAO-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN Oc1ccccc1CCCS 107554119 573639719 /nfs/dbraw/zinc/63/97/19/573639719.db2.gz DXJSUHWCRYKSIX-UHFFFAOYSA-N 0 0 168.261 2.255 10 30 AEEERN CN(C)c1c(F)cccc1CCC=O 259536722 573640062 /nfs/dbraw/zinc/64/00/62/573640062.db2.gz USUWYERNTSTEAI-UHFFFAOYSA-N 0 0 195.237 2.023 10 30 AEEERN CCSCc1ncc(C#N)s1 82416445 573639746 /nfs/dbraw/zinc/63/97/46/573639746.db2.gz DIMZSAHPXWSQTD-UHFFFAOYSA-N 0 0 184.289 2.268 10 30 AEEERN CCn1cnc2c(C#N)ccc(F)c21 307108845 573639774 /nfs/dbraw/zinc/63/97/74/573639774.db2.gz JPKZEBVIPZXDJE-UHFFFAOYSA-N 0 0 189.193 2.067 10 30 AEEERN Fc1ccc(CC[C@@H]2CO2)cc1F 107607803 573639809 /nfs/dbraw/zinc/63/98/09/573639809.db2.gz SDFSHWAJEVAPFO-MRVPVSSYSA-N 0 0 184.185 2.296 10 30 AEEERN C[C@]1(C#N)COc2ccccc2C1 83791962 573640070 /nfs/dbraw/zinc/64/00/70/573640070.db2.gz MJDBOHAOYVTXDR-NSHDSACASA-N 0 0 173.215 2.151 10 30 AEEERN C#C[C@@H](O)/C=C/c1ccccc1C 238461576 573640880 /nfs/dbraw/zinc/64/08/80/573640880.db2.gz XFZAAYGYAPVRAW-IDVQTMNDSA-N 0 0 172.227 2.002 10 30 AEEERN C[C@@H]1C=C[C@@H](C=O)C(C)(C)C1 238462872 573642769 /nfs/dbraw/zinc/64/27/69/573642769.db2.gz VZONJEIGZPPPMR-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H](C=O)Cc1cccc(Cl)c1N 238462008 573640895 /nfs/dbraw/zinc/64/08/95/573640895.db2.gz SJGNMTXGRFNXFN-SSDOTTSWSA-N 0 0 197.665 2.300 10 30 AEEERN c1csc(CC[C@H]2CO2)c1 107595050 573640904 /nfs/dbraw/zinc/64/09/04/573640904.db2.gz RWXZUKKTMBSJEK-ZETCQYMHSA-N 0 0 154.234 2.080 10 30 AEEERN C[C@@H](C=O)Cc1cccc(C#N)c1F 238461355 573640975 /nfs/dbraw/zinc/64/09/75/573640975.db2.gz NLHWOOQYMNYKHU-MRVPVSSYSA-N 0 0 191.205 2.075 10 30 AEEERN N#Cc1cc(CCc2ccccc2)[nH]n1 259536536 573640990 /nfs/dbraw/zinc/64/09/90/573640990.db2.gz UPPTXJIWIIDNCH-UHFFFAOYSA-N 0 0 197.241 2.067 10 30 AEEERN Fc1ccc(CC[C@H]2CO2)cc1F 107607806 573641001 /nfs/dbraw/zinc/64/10/01/573641001.db2.gz SDFSHWAJEVAPFO-QMMMGPOBSA-N 0 0 184.185 2.296 10 30 AEEERN Cc1coc(-c2ccncc2CC#N)n1 259617046 573641083 /nfs/dbraw/zinc/64/10/83/573641083.db2.gz BXOSVDQWMQLEHM-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN CC1(C#N)Cc2ccccc2C1 83791990 573641167 /nfs/dbraw/zinc/64/11/67/573641167.db2.gz AOOXXRAPJPJSEV-UHFFFAOYSA-N 0 0 157.216 2.315 10 30 AEEERN Cc1ccccc1/N=C/c1ncc[nH]1 238461628 573641189 /nfs/dbraw/zinc/64/11/89/573641189.db2.gz AGONCFXXRNBQOZ-RIYZIHGNSA-N 0 0 185.230 2.469 10 30 AEEERN Cc1c(C#N)oc2cccc(O)c12 5064473 573641209 /nfs/dbraw/zinc/64/12/09/573641209.db2.gz SHYHFDFFXXQYBN-UHFFFAOYSA-N 0 0 173.171 2.319 10 30 AEEERN C=CCCC[C@H](O)[C@H]1C[C@@H]1OCC 689889015 573641236 /nfs/dbraw/zinc/64/12/36/573641236.db2.gz KGICUDXKKSDBIE-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1ncc(C#N)c2c1CSCC2 259538991 573641255 /nfs/dbraw/zinc/64/12/55/573641255.db2.gz CIUKAMLYVXGYLO-UHFFFAOYSA-N 0 0 190.271 2.051 10 30 AEEERN C#C[C@H](O)/C=C/c1ccccc1C 238461543 573641266 /nfs/dbraw/zinc/64/12/66/573641266.db2.gz XFZAAYGYAPVRAW-BCPZQOPPSA-N 0 0 172.227 2.002 10 30 AEEERN COCC[C@]1(C)CCC[C@H](CC#N)O1 308652069 573641333 /nfs/dbraw/zinc/64/13/33/573641333.db2.gz KUHQJIXANCXZSJ-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN Cc1cccc(OC(C)(C)C=O)c1 223204894 573641345 /nfs/dbraw/zinc/64/13/45/573641345.db2.gz KFWOPCSJEHGWEY-UHFFFAOYSA-N 0 0 178.231 2.351 10 30 AEEERN N#C[C@@H]1CCSC[C@@]12CCCOC2 259537254 573641348 /nfs/dbraw/zinc/64/13/48/573641348.db2.gz CGORFOGWMSQYMN-UWVGGRQHSA-N 0 0 197.303 2.060 10 30 AEEERN N#Cc1csc2cc(N)cc(O)c12 307104018 573641495 /nfs/dbraw/zinc/64/14/95/573641495.db2.gz IUECNAZJWAVBOJ-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC#CCCC(=O)[C@H](OCC)C1CC1 132158462 573641627 /nfs/dbraw/zinc/64/16/27/573641627.db2.gz MIFLLWNRHZLTRS-GFCCVEGCSA-N 0 0 194.274 2.174 10 30 AEEERN CCCc1sc(CC#N)nc1C 258827758 573641658 /nfs/dbraw/zinc/64/16/58/573641658.db2.gz PAOXCMJBJVXDNO-UHFFFAOYSA-N 0 0 180.276 2.470 10 30 AEEERN C[C@H](CF)NCc1ccccc1C#N 308652172 573641736 /nfs/dbraw/zinc/64/17/36/573641736.db2.gz LIBAHZYEMSUENO-SECBINFHSA-N 0 0 192.237 2.006 10 30 AEEERN CC(CC(C)(C)C)=NO 263599394 573641761 /nfs/dbraw/zinc/64/17/61/573641761.db2.gz IWDLVICCHFPHJQ-UHFFFAOYSA-N 0 0 129.203 2.273 10 30 AEEERN C#CCN[C@]1(C#N)CCCCC1(C)C 86847438 573641899 /nfs/dbraw/zinc/64/18/99/573641899.db2.gz WHEUGFKYIHWOCI-LBPRGKRZSA-N 0 0 190.290 2.072 10 30 AEEERN CCc1cn2ccccc2c1C#N 259538473 573642137 /nfs/dbraw/zinc/64/21/37/573642137.db2.gz ZLXWPYWQJPUUOP-UHFFFAOYSA-N 0 0 170.215 2.373 10 30 AEEERN CN(CC#N)c1cccc2ncccc12 259537100 573642255 /nfs/dbraw/zinc/64/22/55/573642255.db2.gz CEARUPZDJZRGHP-UHFFFAOYSA-N 0 0 197.241 2.195 10 30 AEEERN Cc1cccc(Cc2cc(C#N)n[nH]2)c1 259538823 573642279 /nfs/dbraw/zinc/64/22/79/573642279.db2.gz UZCXADAKLHHIOG-UHFFFAOYSA-N 0 0 197.241 2.181 10 30 AEEERN Cc1ccc(CC#N)c(C(F)F)n1 238463330 573642307 /nfs/dbraw/zinc/64/23/07/573642307.db2.gz HYMALVPVTGKEMB-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=C(C)[C@@H](Nc1ccccc1)[C@@H](C)O 238463532 573642372 /nfs/dbraw/zinc/64/23/72/573642372.db2.gz BBQTWEOVWBGFTG-ZYHUDNBSSA-N 0 0 191.274 2.424 10 30 AEEERN N#C[C@@H]1CCSC[C@]12CCCOC2 259537256 573642412 /nfs/dbraw/zinc/64/24/12/573642412.db2.gz CGORFOGWMSQYMN-VHSXEESVSA-N 0 0 197.303 2.060 10 30 AEEERN CC#CCCC(=O)[C@@H](OCC)C1CC1 132158236 573642468 /nfs/dbraw/zinc/64/24/68/573642468.db2.gz MIFLLWNRHZLTRS-LBPRGKRZSA-N 0 0 194.274 2.174 10 30 AEEERN C[C@]1(CS)C=CC=CC1 96662627 573642484 /nfs/dbraw/zinc/64/24/84/573642484.db2.gz VGIBRAXLDUDYAY-QMMMGPOBSA-N 0 0 140.251 2.439 10 30 AEEERN N#Cc1cc2sccc2[nH]1 259538591 573642496 /nfs/dbraw/zinc/64/24/96/573642496.db2.gz UTKHGUSSSMKWDM-UHFFFAOYSA-N 0 0 148.190 2.101 10 30 AEEERN N#CCc1cnsc1C(F)(F)F 259537098 573642573 /nfs/dbraw/zinc/64/25/73/573642573.db2.gz CEAQJXLEEVDGCA-UHFFFAOYSA-N 0 0 192.165 2.228 10 30 AEEERN CCN[C@]1(C#N)CCCCC1(C)C 86847255 573642623 /nfs/dbraw/zinc/64/26/23/573642623.db2.gz FBCZMQWYKBRWID-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CCO[C@H](C(=O)C=C(C)C)C1CC1 132160373 573642636 /nfs/dbraw/zinc/64/26/36/573642636.db2.gz CNIUDMANSNYNDE-NSHDSACASA-N 0 0 182.263 2.337 10 30 AEEERN C[C@H]1CC2=CC(=O)C[C@@H](C2)C1 238462818 573642641 /nfs/dbraw/zinc/64/26/41/573642641.db2.gz JQFYJFHIGMJOHU-IONNQARKSA-N 0 0 150.221 2.322 10 30 AEEERN N#Cc1c(N)c(F)cc2sccc12 307109137 573642664 /nfs/dbraw/zinc/64/26/64/573642664.db2.gz MQTZURYVODMLDW-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN Cc1c(C#N)oc2ccc(O)cc12 5064474 573642692 /nfs/dbraw/zinc/64/26/92/573642692.db2.gz CXSZZLSSNKOPJK-UHFFFAOYSA-N 0 0 173.171 2.319 10 30 AEEERN C[C@@H]1C=C[C@H](C=O)C(C)(C)C1 238462634 573642707 /nfs/dbraw/zinc/64/27/07/573642707.db2.gz VZONJEIGZPPPMR-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H]1CCc2cc(C#N)ccc2N1 238462832 573643686 /nfs/dbraw/zinc/64/36/86/573643686.db2.gz ZYCHZIBPLUHMLH-QMMMGPOBSA-N 0 0 172.231 2.305 10 30 AEEERN Fc1ccccc1COCC[C@H]1CO1 308654030 573643704 /nfs/dbraw/zinc/64/37/04/573643704.db2.gz MGKZRBSDGGFBDH-JTQLQIEISA-N 0 0 196.221 2.131 10 30 AEEERN Cc1ccc(CC#N)nc1C(F)F 238463723 573643736 /nfs/dbraw/zinc/64/37/36/573643736.db2.gz MTJWLSCJAGDEAB-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=CC(=O)c1sccc1C 107769301 573643879 /nfs/dbraw/zinc/64/38/79/573643879.db2.gz VESQXHOMMICVFK-UHFFFAOYSA-N 0 0 152.218 2.425 10 30 AEEERN CCN[C@@]1(C#N)CCCCC1(C)C 86847257 573644000 /nfs/dbraw/zinc/64/40/00/573644000.db2.gz FBCZMQWYKBRWID-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN C[C@@H]1[C@@H](C#N)C12CCCC2 259541323 573644413 /nfs/dbraw/zinc/64/44/13/573644413.db2.gz GHCUZANCSUNGPF-HTQZYQBOSA-N 0 0 135.210 2.336 10 30 AEEERN CC(=NN(C)C)c1ccc(C)cc1 263610500 573644251 /nfs/dbraw/zinc/64/42/51/573644251.db2.gz WFHJBOZHRSXKNY-UHFFFAOYSA-N 0 0 176.263 2.281 10 30 AEEERN N#C[C@H]1CCS[C@H]1c1cncs1 259540634 573644315 /nfs/dbraw/zinc/64/43/15/573644315.db2.gz CNASJQMQIVOKDV-HTRCEHHLSA-N 0 0 196.300 2.461 10 30 AEEERN C[C@H]1CCC[C@H]2CC(=O)C(=O)C12 238462825 573644490 /nfs/dbraw/zinc/64/44/90/573644490.db2.gz RYSPMUBMELAVRD-BQBZGAKWSA-N 0 0 166.220 2.208 10 30 AEEERN C=CC(=O)c1ccc(C)s1 107769362 573644509 /nfs/dbraw/zinc/64/45/09/573644509.db2.gz NTPUURBSVAXYQP-UHFFFAOYSA-N 0 0 152.218 2.425 10 30 AEEERN N#Cc1cc2cc(N)c(Cl)cc2[nH]1 259540766 573644624 /nfs/dbraw/zinc/64/46/24/573644624.db2.gz COJITCJRSRJTGY-UHFFFAOYSA-N 0 0 191.621 2.275 10 30 AEEERN C#CCCC[C@H](C[C@@H](C)CC)NN 161015289 573644679 /nfs/dbraw/zinc/64/46/79/573644679.db2.gz ZLQTUOWIFCCYER-WDEREUQCSA-N 0 0 182.311 2.058 10 30 AEEERN Cc1[nH]cc(C(F)F)c(=O)c1CC#N 238463203 573644699 /nfs/dbraw/zinc/64/46/99/573644699.db2.gz SQPZKMLNHONBRD-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C#CCN[C@@]1(C#N)CCCCC1(C)C 86847439 573644709 /nfs/dbraw/zinc/64/47/09/573644709.db2.gz WHEUGFKYIHWOCI-GFCCVEGCSA-N 0 0 190.290 2.072 10 30 AEEERN Cc1ccccc1NCCS 107725501 573644940 /nfs/dbraw/zinc/64/49/40/573644940.db2.gz BJBDJWKZEXDCPI-UHFFFAOYSA-N 0 0 167.277 2.337 10 30 AEEERN CN[C@]1(C#N)CCCCC1(C)C 86847249 573644965 /nfs/dbraw/zinc/64/49/65/573644965.db2.gz WZVUKPABFFXFJI-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN C[C@](C#N)(CC#N)c1ccc(C#N)cc1 259539842 573644987 /nfs/dbraw/zinc/64/49/87/573644987.db2.gz MFIUUFOKEYWHSN-GFCCVEGCSA-N 0 0 195.225 2.253 10 30 AEEERN Cc1ccc(OCC[C@H]2CO2)cc1F 308654564 573645033 /nfs/dbraw/zinc/64/50/33/573645033.db2.gz MQTYLAVGSOGCQX-JTQLQIEISA-N 0 0 196.221 2.302 10 30 AEEERN C[C@H]1CCC[C@@H]2C(=O)C=C[C@H]12 238463523 573645038 /nfs/dbraw/zinc/64/50/38/573645038.db2.gz KIRXTIGCWZLUJX-YIZRAAEISA-N 0 0 150.221 2.178 10 30 AEEERN C#CCN(C)C(=O)CCCCCCC 130654348 573645121 /nfs/dbraw/zinc/64/51/21/573645121.db2.gz CCQNTXMWCRDLHN-UHFFFAOYSA-N 0 0 195.306 2.439 10 30 AEEERN N#C[C@H]1CCS[C@@H]1c1cncs1 259540641 573645148 /nfs/dbraw/zinc/64/51/48/573645148.db2.gz CNASJQMQIVOKDV-SVRRBLITSA-N 0 0 196.300 2.461 10 30 AEEERN C=CCCC(=O)[C@H]1C[C@H]1C 83807157 573645209 /nfs/dbraw/zinc/64/52/09/573645209.db2.gz YGGXXSFXNUYFMV-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN COc1cc(C#N)c(C)nc1C(F)F 238462740 573645349 /nfs/dbraw/zinc/64/53/49/573645349.db2.gz VPOLKLFRMMGURN-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C[C@@](C#N)(CC#N)c1ccc(C#N)cc1 259539846 573645406 /nfs/dbraw/zinc/64/54/06/573645406.db2.gz MFIUUFOKEYWHSN-LBPRGKRZSA-N 0 0 195.225 2.253 10 30 AEEERN CCCc1nc(CS)[nH]c1C 258831612 573645471 /nfs/dbraw/zinc/64/54/71/573645471.db2.gz ZRBNMPBEBDGPPG-UHFFFAOYSA-N 0 0 170.281 2.100 10 30 AEEERN Cc1cc(-c2cscn2)c(C#N)[nH]1 259540710 573645546 /nfs/dbraw/zinc/64/55/46/573645546.db2.gz CNNDNZDVLPTFGB-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN N#Cc1occc1C(F)(F)F 259541004 573645723 /nfs/dbraw/zinc/64/57/23/573645723.db2.gz ZQHFMSYCZYZCFX-UHFFFAOYSA-N 0 0 161.082 2.170 10 30 AEEERN C[C@H]1CCc2ccc(C#N)cc2N1 238463546 573645951 /nfs/dbraw/zinc/64/59/51/573645951.db2.gz CHWTXYMTVOSYMY-QMMMGPOBSA-N 0 0 172.231 2.305 10 30 AEEERN C#CCCCC(=O)[C@@H](OCC)C1CC1 132180082 573646015 /nfs/dbraw/zinc/64/60/15/573646015.db2.gz WBNVFOKGERRFLP-LBPRGKRZSA-N 0 0 194.274 2.174 10 30 AEEERN Cc1ncc(C(F)F)cc1C#N 238463851 573646039 /nfs/dbraw/zinc/64/60/39/573646039.db2.gz IYWJTNKSSVVDEK-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C=CCN(CC)Cn1cc(Cl)cn1 308410176 573646147 /nfs/dbraw/zinc/64/61/47/573646147.db2.gz LGGZQEVACFLRCB-UHFFFAOYSA-N 0 0 199.685 2.002 10 30 AEEERN CCCc1ccc(NCC=O)cc1 258834137 573646212 /nfs/dbraw/zinc/64/62/12/573646212.db2.gz HLDLDGWRJGLICY-UHFFFAOYSA-N 0 0 177.247 2.250 10 30 AEEERN CCCCC[C@H](O)C#CCl 224498850 573646217 /nfs/dbraw/zinc/64/62/17/573646217.db2.gz ALMVMRSPTJKZSA-QMMMGPOBSA-N 0 0 160.644 2.127 10 30 AEEERN CN(CS)c1ccccc1F 258830331 573646279 /nfs/dbraw/zinc/64/62/79/573646279.db2.gz BGAGSUSFRMYUQJ-UHFFFAOYSA-N 0 0 171.240 2.149 10 30 AEEERN N#C[C@@H]1CCC12CCCC2 258595209 573646384 /nfs/dbraw/zinc/64/63/84/573646384.db2.gz UIYVUNZFPWRISF-QMMMGPOBSA-N 0 0 135.210 2.480 10 30 AEEERN Cc1nc(C(C)(C)C)oc1CC#N 259540487 573646388 /nfs/dbraw/zinc/64/63/88/573646388.db2.gz SPNGRCNFZGIDKL-UHFFFAOYSA-N 0 0 178.235 2.347 10 30 AEEERN CN[C@@H](c1ccc(C)o1)C1(C#N)CC1 259539515 573646416 /nfs/dbraw/zinc/64/64/16/573646416.db2.gz VDNGRALNPKEOPX-JTQLQIEISA-N 0 0 190.246 2.152 10 30 AEEERN C=CC(=O)c1ccc(OC)cc1C 107773394 573646429 /nfs/dbraw/zinc/64/64/29/573646429.db2.gz MGRXQKDSKZKMIM-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C[C@@](C#N)(CC#N)c1cccc(C#N)c1 259539991 573646430 /nfs/dbraw/zinc/64/64/30/573646430.db2.gz MHFATDBBCGPNPL-LBPRGKRZSA-N 0 0 195.225 2.253 10 30 AEEERN CN[C@@]1(C#N)CCCCC1(C)C 86847252 573646541 /nfs/dbraw/zinc/64/65/41/573646541.db2.gz WZVUKPABFFXFJI-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN COc1cc(C#N)c(C)c(C(F)F)n1 238462643 573646566 /nfs/dbraw/zinc/64/65/66/573646566.db2.gz FHOKKWLNNQZCDY-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN Fc1ccccc1COCC[C@@H]1CO1 308654031 573646569 /nfs/dbraw/zinc/64/65/69/573646569.db2.gz MGKZRBSDGGFBDH-SNVBAGLBSA-N 0 0 196.221 2.131 10 30 AEEERN N#CCc1n[nH]cc1CC1CCCC1 259539223 573646675 /nfs/dbraw/zinc/64/66/75/573646675.db2.gz CLBZYWVTOYZVHS-UHFFFAOYSA-N 0 0 189.262 2.208 10 30 AEEERN C[C@H]1[C@H](C#N)C12CCCC2 259541326 573646805 /nfs/dbraw/zinc/64/68/05/573646805.db2.gz GHCUZANCSUNGPF-YUMQZZPRSA-N 0 0 135.210 2.336 10 30 AEEERN N#Cc1ncsc1-c1cncs1 259539258 573646888 /nfs/dbraw/zinc/64/68/88/573646888.db2.gz CLFWKJKAVFAPBK-UHFFFAOYSA-N 0 0 193.256 2.138 10 30 AEEERN Cc1ccc(OCC[C@@H]2CO2)cc1F 308654565 573646939 /nfs/dbraw/zinc/64/69/39/573646939.db2.gz MQTYLAVGSOGCQX-SNVBAGLBSA-N 0 0 196.221 2.302 10 30 AEEERN C[C@@H]1[C@H](C#N)C12CCCC2 259541325 573648198 /nfs/dbraw/zinc/64/81/98/573648198.db2.gz GHCUZANCSUNGPF-SFYZADRCSA-N 0 0 135.210 2.336 10 30 AEEERN CCN(CC)[C@@H](C#N)c1cscn1 126726883 573648242 /nfs/dbraw/zinc/64/82/42/573648242.db2.gz FKQOZHRIRIKUAP-VIFPVBQESA-N 0 0 195.291 2.050 10 30 AEEERN COc1ccc(NCCS)cc1 107792056 573648261 /nfs/dbraw/zinc/64/82/61/573648261.db2.gz GMXROLILKSBBAG-UHFFFAOYSA-N 0 0 183.276 2.037 10 30 AEEERN CC(C)=N[C@@H](C)c1[nH]c(=O)ccc1C 238457843 573648287 /nfs/dbraw/zinc/64/82/87/573648287.db2.gz RNZCNUOLLKCOFN-VIFPVBQESA-N 0 0 192.262 2.225 10 30 AEEERN CC(C)C1(C2(C#N)CCC2)COC1 258831659 573648407 /nfs/dbraw/zinc/64/84/07/573648407.db2.gz ZSFXTLDAWPMEBA-UHFFFAOYSA-N 0 0 179.263 2.353 10 30 AEEERN CC[C@H](O)[C@@H](C#N)c1cccc(C)c1 217653021 573648451 /nfs/dbraw/zinc/64/84/51/573648451.db2.gz GDVLCJSAXHBTLO-RYUDHWBXSA-N 0 0 189.258 2.373 10 30 AEEERN C[C@@H](C#N)CC1=CCCCC1=O 238466043 573648453 /nfs/dbraw/zinc/64/84/53/573648453.db2.gz LZKCREXGILJHRM-MRVPVSSYSA-N 0 0 163.220 2.216 10 30 AEEERN COc1ccc(CC(F)(F)C#N)cc1 257840671 573648486 /nfs/dbraw/zinc/64/84/86/573648486.db2.gz BOFZNXXPJJLRFJ-UHFFFAOYSA-N 0 0 197.184 2.397 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCCCC1(C)C 86850523 573651318 /nfs/dbraw/zinc/65/13/18/573651318.db2.gz ZYPZKZZBSPMQGJ-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CO[C@@]1(C#N)CCCCC1(C)C 86850417 573649416 /nfs/dbraw/zinc/64/94/16/573649416.db2.gz IWGSVEXPDKSYOF-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN C=C[C@](C)(O)[C@H](C)Nc1ccccc1 238466035 573649465 /nfs/dbraw/zinc/64/94/65/573649465.db2.gz BSRODOHDMQMMQM-JQWIXIFHSA-N 0 0 191.274 2.424 10 30 AEEERN C#CC(=O)[C@@]1(C)CCC[C@@H]1C 238466231 573649479 /nfs/dbraw/zinc/64/94/79/573649479.db2.gz NBVCTZNQUFAOBJ-WPRPVWTQSA-N 0 0 150.221 2.015 10 30 AEEERN CN(C)[C@@]1(C#N)CCCCC1(C)C 86849811 573649585 /nfs/dbraw/zinc/64/95/85/573649585.db2.gz RELQGRCECXQNJO-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@](C#N)(CC#N)c1cccc(C#N)c1 259539989 573649661 /nfs/dbraw/zinc/64/96/61/573649661.db2.gz MHFATDBBCGPNPL-GFCCVEGCSA-N 0 0 195.225 2.253 10 30 AEEERN CC(C)(C#N)C(=O)C1CCCC1 258829675 573649941 /nfs/dbraw/zinc/64/99/41/573649941.db2.gz UTSLUQZPUCGVES-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN Cc1ncc(C=O)c(C#N)c1C(F)F 238465973 573649942 /nfs/dbraw/zinc/64/99/42/573649942.db2.gz LFMVTOFFLVOULY-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN COc1cc(C#N)cc2cnsc12 238465851 573649989 /nfs/dbraw/zinc/64/99/89/573649989.db2.gz KYNBIALDTQTFCO-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN C[C@H]1CC([Si](C)(C)C)=CC1=O 238466565 573650049 /nfs/dbraw/zinc/65/00/49/573650049.db2.gz NNSXANQPYVRXHM-ZETCQYMHSA-N 0 0 168.312 2.399 10 30 AEEERN C[C@]1(c2ccc(F)cc2)C[C@H]1C=O 238466458 573650059 /nfs/dbraw/zinc/65/00/59/573650059.db2.gz CGHHCBQKWMIUBE-GXSJLCMTSA-N 0 0 178.206 2.302 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCCCC1(C)C 86850527 573650097 /nfs/dbraw/zinc/65/00/97/573650097.db2.gz ZYPZKZZBSPMQGJ-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN N#C[C@@H]1CCS[C@H]1c1cncs1 259540638 573650119 /nfs/dbraw/zinc/65/01/19/573650119.db2.gz CNASJQMQIVOKDV-POYBYMJQSA-N 0 0 196.300 2.461 10 30 AEEERN CCN(CC)[C@H](C#N)c1cscn1 126727104 573650233 /nfs/dbraw/zinc/65/02/33/573650233.db2.gz FKQOZHRIRIKUAP-SECBINFHSA-N 0 0 195.291 2.050 10 30 AEEERN C#CCN(C)C(=O)C1(CC)CCCC1 130690999 573650239 /nfs/dbraw/zinc/65/02/39/573650239.db2.gz HNABMNYFJFLGSQ-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C[C@]1(C=O)CCCC[C@H]1F 238466518 573650382 /nfs/dbraw/zinc/65/03/82/573650382.db2.gz HDOUWBVEIOPXQC-HTQZYQBOSA-N 0 0 144.189 2.104 10 30 AEEERN C[C@H](C=O)[C@H]1CCc2cc(O)ccc21 257840856 573650476 /nfs/dbraw/zinc/65/04/76/573650476.db2.gz MDUBIONRYAZGHC-LDYMZIIASA-N 0 0 190.242 2.257 10 30 AEEERN Cc1ccc(C[C@@H](C)C=O)cc1C#N 238457912 573650552 /nfs/dbraw/zinc/65/05/52/573650552.db2.gz FKCMLXVXUBECBW-SECBINFHSA-N 0 0 187.242 2.244 10 30 AEEERN Cc1cc(=O)c(C(F)F)c(CC#N)[nH]1 238466292 573650597 /nfs/dbraw/zinc/65/05/97/573650597.db2.gz WACJQRBQYUMENU-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1ccc(O[C@@H](C)C=O)cc1C 238466262 573650720 /nfs/dbraw/zinc/65/07/20/573650720.db2.gz KXOOIBMRYIVGSJ-JTQLQIEISA-N 0 0 178.231 2.270 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCCCC1(C)C 86850522 573650731 /nfs/dbraw/zinc/65/07/31/573650731.db2.gz ZYPZKZZBSPMQGJ-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN COc1ccccc1[C@@H]1CC[C@H]1C=O 257839782 573650759 /nfs/dbraw/zinc/65/07/59/573650759.db2.gz LSHLDBXRPWNFAF-VHSXEESVSA-N 0 0 190.242 2.388 10 30 AEEERN Cc1ncc(C=O)c(C(F)F)c1C#N 238466040 573650775 /nfs/dbraw/zinc/65/07/75/573650775.db2.gz GLCXCMNCMYXZJW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN COc1cccc(CCC=O)c1CF 258080680 573650776 /nfs/dbraw/zinc/65/07/76/573650776.db2.gz NCAOLDCBLOJXLO-UHFFFAOYSA-N 0 0 196.221 2.296 10 30 AEEERN COc1cc(C#N)cc2sncc12 238466070 573650843 /nfs/dbraw/zinc/65/08/43/573650843.db2.gz ZSYHHSPJDGHYAO-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN CC(C)n1nc(C#N)c2c1CSC2 257840758 573650900 /nfs/dbraw/zinc/65/09/00/573650900.db2.gz LZGBCBRMUPHRKJ-UHFFFAOYSA-N 0 0 193.275 2.082 10 30 AEEERN C=C(C)[C@@H]1[C@@H](C)CC(=O)[C@@H]1C 238457866 573650976 /nfs/dbraw/zinc/65/09/76/573650976.db2.gz FCKAHOXJBQZECJ-OYNCUSHFSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@]1(C=O)CCCC[C@@H]1F 238466472 573651001 /nfs/dbraw/zinc/65/10/01/573651001.db2.gz HDOUWBVEIOPXQC-JGVFFNPUSA-N 0 0 144.189 2.104 10 30 AEEERN C=C1C(=O)[C@H](C)[C@H]2C[C@@H]1C2(C)C 238466539 573651064 /nfs/dbraw/zinc/65/10/64/573651064.db2.gz RZNAKUUCNJACII-HRDYMLBCSA-N 0 0 164.248 2.424 10 30 AEEERN Cc1cc(CNCS)ccc1F 258839999 573651079 /nfs/dbraw/zinc/65/10/79/573651079.db2.gz CGQDIVUVLTYOKH-UHFFFAOYSA-N 0 0 185.267 2.111 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCCCC1(C)C 86850525 573651089 /nfs/dbraw/zinc/65/10/89/573651089.db2.gz ZYPZKZZBSPMQGJ-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCC[C@]12CC=CC2=O 238466548 573651149 /nfs/dbraw/zinc/65/11/49/573651149.db2.gz RBAQMSXYGYZEIG-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)[C@H](O)[C@H](C)Nc1ccccc1 238465912 573651213 /nfs/dbraw/zinc/65/12/13/573651213.db2.gz RHLYZUDLPIWPAS-JQWIXIFHSA-N 0 0 191.274 2.424 10 30 AEEERN Cc1ccc(CCC=O)c(F)c1 238465859 573652708 /nfs/dbraw/zinc/65/27/08/573652708.db2.gz CJDWMNLNGGVRHJ-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN CCC(=O)c1cccc(OC)c1C#N 307111197 573652853 /nfs/dbraw/zinc/65/28/53/573652853.db2.gz MXTAUFOIFVRHID-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN COc1ccccc1[C@@H]1CC[C@@H]1C=O 257839780 573652209 /nfs/dbraw/zinc/65/22/09/573652209.db2.gz LSHLDBXRPWNFAF-NXEZZACHSA-N 0 0 190.242 2.388 10 30 AEEERN COc1cc(C#N)cc2ccoc12 238465727 573652228 /nfs/dbraw/zinc/65/22/28/573652228.db2.gz KZOVFPUUVOGUDQ-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN CC1C(=O)C[C@H](C)[C@H](C)C1=O 238466121 573652251 /nfs/dbraw/zinc/65/22/51/573652251.db2.gz PKCDQQBGNAMOAZ-WDSKDSINSA-N 0 0 154.209 2.063 10 30 AEEERN N#CC1(CNc2cccnc2)CCC1 258835563 573652339 /nfs/dbraw/zinc/65/23/39/573652339.db2.gz DQRFGNGTVZBWFQ-UHFFFAOYSA-N 0 0 187.246 2.187 10 30 AEEERN CCO[C@@](C)(C=O)CC1CCC1 258508533 573652474 /nfs/dbraw/zinc/65/24/74/573652474.db2.gz LBOVCKWICFFEHH-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN N#C[C@@H]1CC[C@H]2SCC[C@H]2C1 259542653 573652491 /nfs/dbraw/zinc/65/24/91/573652491.db2.gz GLKRQELVGMBATB-HRDYMLBCSA-N 0 0 167.277 2.432 10 30 AEEERN CN(C)c1[nH]c2ccccc2c1C#N 258838172 573652546 /nfs/dbraw/zinc/65/25/46/573652546.db2.gz WNMMBHJXXUHUGS-UHFFFAOYSA-N 0 0 185.230 2.106 10 30 AEEERN CN(CS)Cc1ccccc1F 258837431 573652869 /nfs/dbraw/zinc/65/28/69/573652869.db2.gz BYXOBENXSIENFT-UHFFFAOYSA-N 0 0 185.267 2.145 10 30 AEEERN C[C@@H]1SC[C@@H]2C[C@@H](C#N)C[C@H]12 259542597 573652623 /nfs/dbraw/zinc/65/26/23/573652623.db2.gz GKUHKROKPBZVCD-UYXSQOIJSA-N 0 0 167.277 2.288 10 30 AEEERN Cc1ccnc(C#N)c1C(F)F 238465960 573652655 /nfs/dbraw/zinc/65/26/55/573652655.db2.gz SIYRPFBFXVHDJD-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN Cc1cccc(CN(C)CS)c1 258837391 573652730 /nfs/dbraw/zinc/65/27/30/573652730.db2.gz BXDIDXVHAGREBD-UHFFFAOYSA-N 0 0 181.304 2.314 10 30 AEEERN Cc1cc(-c2noc(C#N)c2C)ccn1 259543163 573653968 /nfs/dbraw/zinc/65/39/68/573653968.db2.gz VHHBKCUSOVCFAN-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C=C[C@@H]1CCC(=O)[C@@H](C)[C@@H]1C 238458296 573653808 /nfs/dbraw/zinc/65/38/08/573653808.db2.gz PAYCZAZWHVRQAL-XHNCKOQMSA-N 0 0 152.237 2.424 10 30 AEEERN C#C[Si](C)(C)/C=C/Br 238458199 573654000 /nfs/dbraw/zinc/65/40/00/573654000.db2.gz HFEDLZAAHLGSAG-AATRIKPKSA-N 0 0 189.128 2.315 10 30 AEEERN Cc1sc(Cl)nc1CC#N 238471216 573654107 /nfs/dbraw/zinc/65/41/07/573654107.db2.gz GAYPRMKTSFQBIB-UHFFFAOYSA-N 0 0 172.640 2.171 10 30 AEEERN N#Cc1cc(F)cc2c(N)csc12 307120053 573654151 /nfs/dbraw/zinc/65/41/51/573654151.db2.gz HODPNDAEFKDGIW-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C[C@H]1C[C@@H]1c1nc(CC#N)cs1 83810645 573654183 /nfs/dbraw/zinc/65/41/83/573654183.db2.gz IAVFDGHILNFPLB-XPUUQOCRSA-N 0 0 178.260 2.333 10 30 AEEERN C[C@@H]1C[C@H]1c1nc(CC#N)cs1 83810646 573654245 /nfs/dbraw/zinc/65/42/45/573654245.db2.gz IAVFDGHILNFPLB-HTRCEHHLSA-N 0 0 178.260 2.333 10 30 AEEERN C=CC[C@]1(C)C=C[C@@H](O)CC1 238470922 573654246 /nfs/dbraw/zinc/65/42/46/573654246.db2.gz ISESYQIBDUXKNH-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN Cc1ccc(SC#CCO)cc1 238471245 573654312 /nfs/dbraw/zinc/65/43/12/573654312.db2.gz DSJFZOVBHFNIMO-UHFFFAOYSA-N 0 0 178.256 2.040 10 30 AEEERN C[C@@H](C#N)N(C)c1cccc(F)c1 258842245 573654326 /nfs/dbraw/zinc/65/43/26/573654326.db2.gz QYESDGQBJCQXDQ-QMMMGPOBSA-N 0 0 178.210 2.174 10 30 AEEERN N#CCCNc1c[nH]c2ccccc12 258837419 573654363 /nfs/dbraw/zinc/65/43/63/573654363.db2.gz BYHNSJVJTKDXGX-UHFFFAOYSA-N 0 0 185.230 2.493 10 30 AEEERN C[C@H]1C[C@H]1c1nc(CC#N)cs1 83810647 573654402 /nfs/dbraw/zinc/65/44/02/573654402.db2.gz IAVFDGHILNFPLB-POYBYMJQSA-N 0 0 178.260 2.333 10 30 AEEERN C[C@H](Nc1cccnc1C#N)C(F)F 307112339 573654583 /nfs/dbraw/zinc/65/45/83/573654583.db2.gz LZPWLKFIPVIYAY-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN N#Cc1cnc(Nc2ccc[nH]2)s1 258840265 573654587 /nfs/dbraw/zinc/65/45/87/573654587.db2.gz XNLUPVJWLYGFGD-UHFFFAOYSA-N 0 0 190.231 2.086 10 30 AEEERN N#Cc1c(F)sc2c(N)cccc12 307117900 573654604 /nfs/dbraw/zinc/65/46/04/573654604.db2.gz VLFGJEMSQVLDMV-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C[C@H]1CCCC(C=O)=C(O)C1(C)C 238458606 573657101 /nfs/dbraw/zinc/65/71/01/573657101.db2.gz TUTRJVLWWMTJMR-DTWKUNHWSA-N 0 0 182.263 2.217 10 30 AEEERN C=C1CCCC[C@H]1[C@H](C)O 238474454 573667757 /nfs/dbraw/zinc/66/77/57/573667757.db2.gz RJOPXELEVHNEGN-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(CC=O)[C@H]1CCCCS1 258083587 573658081 /nfs/dbraw/zinc/65/80/81/573658081.db2.gz GBAYLSANBSOWCW-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN Cc1ccc(CCNC(C)(C)C#N)o1 258852052 573658950 /nfs/dbraw/zinc/65/89/50/573658950.db2.gz SCQXRTYHVZNURI-UHFFFAOYSA-N 0 0 192.262 2.022 10 30 AEEERN Cn1cc(NCS)c2ccccc21 258851312 573658052 /nfs/dbraw/zinc/65/80/52/573658052.db2.gz DNNCGPXZJHMHIM-UHFFFAOYSA-N 0 0 192.287 2.478 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)CC1CCCC1 689816870 573657971 /nfs/dbraw/zinc/65/79/71/573657971.db2.gz GLUMIGWIXBQKFK-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN CNc1[nH]c2ccccc2c1C#N 258851371 573658948 /nfs/dbraw/zinc/65/89/48/573658948.db2.gz XUZVPKVWPZLPAE-UHFFFAOYSA-N 0 0 171.203 2.081 10 30 AEEERN C[C@]1(C=O)CCCC[C@]1(C)CC=O 238471687 573660845 /nfs/dbraw/zinc/66/08/45/573660845.db2.gz HNAGFPFBSFJBGM-GHMZBOCLSA-N 0 0 182.263 2.361 10 30 AEEERN Cc1ccc2c(c1)CCN[C@@H]2CC#N 75640092 573660227 /nfs/dbraw/zinc/66/02/27/573660227.db2.gz AMSUOWYGABUMNE-GFCCVEGCSA-N 0 0 186.258 2.096 10 30 AEEERN C#CCCC[C@@H](C[C@H](C)CC)NN 161015378 573660228 /nfs/dbraw/zinc/66/02/28/573660228.db2.gz ZLQTUOWIFCCYER-MNOVXSKESA-N 0 0 182.311 2.058 10 30 AEEERN N#CCc1cc(-c2ccccn2)ccn1 259544108 573659921 /nfs/dbraw/zinc/65/99/21/573659921.db2.gz CTDFJJBDPRARAQ-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C[C@@]1(C=O)CCCC[C@]1(C)CC=O 238471657 573660390 /nfs/dbraw/zinc/66/03/90/573660390.db2.gz HNAGFPFBSFJBGM-MNOVXSKESA-N 0 0 182.263 2.361 10 30 AEEERN Cc1cccc2c1[C@@H](CC#N)NCC2 75640091 573659747 /nfs/dbraw/zinc/65/97/47/573659747.db2.gz YCBNWXSPFXWNCZ-LLVKDONJSA-N 0 0 186.258 2.096 10 30 AEEERN N#Cc1ccccc1NC(=O)S 258854242 573659770 /nfs/dbraw/zinc/65/97/70/573659770.db2.gz XYWZYVDPQOSKPE-UHFFFAOYSA-N 0 0 178.216 2.020 10 30 AEEERN Cc1ccc(CCN(C)CS)cc1 258851230 573659788 /nfs/dbraw/zinc/65/97/88/573659788.db2.gz DLXYDTJOCXTJCV-UHFFFAOYSA-N 0 0 195.331 2.357 10 30 AEEERN Cc1cc(N(C)CC#N)ccc1F 258851898 573659854 /nfs/dbraw/zinc/65/98/54/573659854.db2.gz RZOXSGYMOGMQFD-UHFFFAOYSA-N 0 0 178.210 2.094 10 30 AEEERN CC1(C)CCC[C@@]1(C#N)NCC1CC1 86866050 573659909 /nfs/dbraw/zinc/65/99/09/573659909.db2.gz KKVXCPXFKJEPKR-LBPRGKRZSA-N 0 0 192.306 2.458 10 30 AEEERN C=CCN[C@@]1(C#N)CCCC1(C)C 86866078 573659866 /nfs/dbraw/zinc/65/98/66/573659866.db2.gz XZDBEHHNORKMIG-LLVKDONJSA-N 0 0 178.279 2.234 10 30 AEEERN COc1ccc(NCCS)cc1C 258846079 573659870 /nfs/dbraw/zinc/65/98/70/573659870.db2.gz IJXQUNHKOCNKOE-UHFFFAOYSA-N 0 0 197.303 2.345 10 30 AEEERN Cc1cc(C#N)c(Cl)c(C)n1 259544226 573659877 /nfs/dbraw/zinc/65/98/77/573659877.db2.gz AYKYAQYZAPVRKH-UHFFFAOYSA-N 0 0 166.611 2.224 10 30 AEEERN CN(CS)c1cc(F)ccc1F 258847005 573660086 /nfs/dbraw/zinc/66/00/86/573660086.db2.gz CXKXVJKTZBBNEA-UHFFFAOYSA-N 0 0 189.230 2.288 10 30 AEEERN C=CC=C=CC(=O)CCC=C 144630543 573660116 /nfs/dbraw/zinc/66/01/16/573660116.db2.gz LMFZNXZOHJRMRK-UHFFFAOYSA-N 0 0 148.205 2.101 10 30 AEEERN CC1(C)CCC[C@]1(C#N)NCC1CC1 86866051 573660345 /nfs/dbraw/zinc/66/03/45/573660345.db2.gz KKVXCPXFKJEPKR-GFCCVEGCSA-N 0 0 192.306 2.458 10 30 AEEERN Cc1nc2c(s1)SC[C@@H]2C#N 259545566 573660421 /nfs/dbraw/zinc/66/04/21/573660421.db2.gz CMXIYFCJEHXILB-YFKPBYRVSA-N 0 0 182.273 2.164 10 30 AEEERN CCN[C@]1(C#N)CCCC1(C)C 86866006 573660579 /nfs/dbraw/zinc/66/05/79/573660579.db2.gz ZQQFCRKWBZRKOG-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN N#CC[C@H]1CC[NH2+][C@H](c2ccco2)C1 259544274 573660591 /nfs/dbraw/zinc/66/05/91/573660591.db2.gz CVWZLWQMDBKOJD-UWVGGRQHSA-N 0 0 190.246 2.234 10 30 AEEERN Cc1nc2c(s1)SC[C@H]2C#N 259545545 573660763 /nfs/dbraw/zinc/66/07/63/573660763.db2.gz CMXIYFCJEHXILB-RXMQYKEDSA-N 0 0 182.273 2.164 10 30 AEEERN CC(C)(C#N)c1noc2ccoc12 259544770 573660789 /nfs/dbraw/zinc/66/07/89/573660789.db2.gz BCKXTJBVXGNYMZ-UHFFFAOYSA-N 0 0 176.175 2.222 10 30 AEEERN C/C(=C\c1ccccc1C#N)[C@H](C)O 235540455 573660914 /nfs/dbraw/zinc/66/09/14/573660914.db2.gz FNZWOLNCGZZPON-PCYYEKQGSA-N 0 0 187.242 2.342 10 30 AEEERN C/C(=C/[C@H](C)O)c1ccc(C#N)cc1 235535310 573661022 /nfs/dbraw/zinc/66/10/22/573661022.db2.gz JXDVJHRWNFYMCR-RNKPRXRFSA-N 0 0 187.242 2.342 10 30 AEEERN N#CC/C(Cl)=C\Cl 83822353 573661030 /nfs/dbraw/zinc/66/10/30/573661030.db2.gz NEPDDTYEQYEBMV-ONEGZZNKSA-N 0 0 135.981 2.219 10 30 AEEERN C=CCN[C@]1(C#N)CCCC1(C)C 86866077 573661076 /nfs/dbraw/zinc/66/10/76/573661076.db2.gz XZDBEHHNORKMIG-NSHDSACASA-N 0 0 178.279 2.234 10 30 AEEERN CC(C)=C1CC[C@H](C)C(C=O)=C1O 238472537 573661930 /nfs/dbraw/zinc/66/19/30/573661930.db2.gz QZYZBXMDXCFMQU-WPRPVWTQSA-N 0 0 180.247 2.137 10 30 AEEERN CC(C)=C1CC[C@H](C)C(C=O)=C1O 238472517 573661139 /nfs/dbraw/zinc/66/11/39/573661139.db2.gz QZYZBXMDXCFMQU-WCBMZHEXSA-N 0 0 180.247 2.137 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCC1(C)C 86866011 573661143 /nfs/dbraw/zinc/66/11/43/573661143.db2.gz QKGDFRFKOYFWKM-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CC1(C)CCC[C@]1(C#N)NC1CC1 86866013 573661489 /nfs/dbraw/zinc/66/14/89/573661489.db2.gz SFESANJOZGTXRX-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H]1CC=C[C@H](CC=O)C1 238472141 573661512 /nfs/dbraw/zinc/66/15/12/573661512.db2.gz AGCXLBLPLLNIFE-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN O=CCNc1ccc2c(c1)CCCC2 258853669 573661545 /nfs/dbraw/zinc/66/15/45/573661545.db2.gz JEQAXRZYSMGFRR-UHFFFAOYSA-N 0 0 189.258 2.176 10 30 AEEERN CC[C@]1(c2cccc(O)c2)C[C@H]1C=O 257843342 573661573 /nfs/dbraw/zinc/66/15/73/573661573.db2.gz MXRFIPJAPMEUMG-CMPLNLGQSA-N 0 0 190.242 2.259 10 30 AEEERN N#CCn1ccc2cccc(F)c21 107838108 573661627 /nfs/dbraw/zinc/66/16/27/573661627.db2.gz AOZPKUGVJAISAK-UHFFFAOYSA-N 0 0 174.178 2.304 10 30 AEEERN CC[C@@]1(c2cccc(O)c2)C[C@H]1C=O 257843344 573661741 /nfs/dbraw/zinc/66/17/41/573661741.db2.gz MXRFIPJAPMEUMG-JQWIXIFHSA-N 0 0 190.242 2.259 10 30 AEEERN C=C[C@H](O)[C@@H]1[C@@H](C)C=CC[C@@H]1C 238471951 573661802 /nfs/dbraw/zinc/66/18/02/573661802.db2.gz IVSRHFUZVAGZFI-XWLWVQCSSA-N 0 0 166.264 2.382 10 30 AEEERN CO[C@@](C)(CC=O)c1ccc(C)cc1 257843354 573661900 /nfs/dbraw/zinc/66/19/00/573661900.db2.gz MXTJIWCRSIQHOA-LBPRGKRZSA-N 0 0 192.258 2.446 10 30 AEEERN CCCN[C@@]1(C#N)CCCC1(C)C 86866009 573661859 /nfs/dbraw/zinc/66/18/59/573661859.db2.gz SHMNACYJQPGAET-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN CO[C@](C)(CC=O)c1ccc(C)cc1 257843352 573662248 /nfs/dbraw/zinc/66/22/48/573662248.db2.gz MXTJIWCRSIQHOA-GFCCVEGCSA-N 0 0 192.258 2.446 10 30 AEEERN C[C@@H]1C[C@@H]2CCCC2=CC1=O 238472641 573662309 /nfs/dbraw/zinc/66/23/09/573662309.db2.gz BDKRKMFFUMXVKU-SFYZADRCSA-N 0 0 150.221 2.322 10 30 AEEERN CC1(C)CCC[C@@]1(C#N)NC1CC1 86866012 573662361 /nfs/dbraw/zinc/66/23/61/573662361.db2.gz SFESANJOZGTXRX-NSHDSACASA-N 0 0 178.279 2.211 10 30 AEEERN CC(C)N[C@]1(C#N)CCCC1(C)C 86866010 573662383 /nfs/dbraw/zinc/66/23/83/573662383.db2.gz QKGDFRFKOYFWKM-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@](S)(CCO)c1ccccc1 238471957 573662407 /nfs/dbraw/zinc/66/24/07/573662407.db2.gz UIKLAJUUWSBGHD-SNVBAGLBSA-N 0 0 182.288 2.214 10 30 AEEERN CC[C@]1(c2cccc(O)c2)C[C@@H]1C=O 257843348 573662471 /nfs/dbraw/zinc/66/24/71/573662471.db2.gz MXRFIPJAPMEUMG-ZYHUDNBSSA-N 0 0 190.242 2.259 10 30 AEEERN C#Cc1cccc2c1ccn2C 144593795 573664907 /nfs/dbraw/zinc/66/49/07/573664907.db2.gz PNZZOZSXJRWAOF-UHFFFAOYSA-N 0 0 155.200 2.160 10 30 AEEERN C=C1C[C@]1(C)CCCC=O 238474375 573664362 /nfs/dbraw/zinc/66/43/62/573664362.db2.gz JJFAJYYVKZHIMU-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN Cc1ccc(C)c(CNCS)c1 258863071 573664378 /nfs/dbraw/zinc/66/43/78/573664378.db2.gz FTKPPQFEHFHFGT-UHFFFAOYSA-N 0 0 181.304 2.280 10 30 AEEERN C=CCc1ccc(CO)c(C)c1 238474595 573664384 /nfs/dbraw/zinc/66/43/84/573664384.db2.gz DTGCMRVSDVXYFQ-UHFFFAOYSA-N 0 0 162.232 2.216 10 30 AEEERN N#CCSc1cc(F)ccc1N 83824792 573664422 /nfs/dbraw/zinc/66/44/22/573664422.db2.gz IQGRAJFYJLWDAI-UHFFFAOYSA-N 0 0 182.223 2.024 10 30 AEEERN Cc1ccc(-c2ccnc(CC#N)n2)o1 259154042 573664551 /nfs/dbraw/zinc/66/45/51/573664551.db2.gz SANRPOQWNURLDA-UHFFFAOYSA-N 0 0 199.213 2.111 10 30 AEEERN CO[C@@]1(C#N)CCCC1(C)C 86869974 573664608 /nfs/dbraw/zinc/66/46/08/573664608.db2.gz BOXFKARIBGUMJN-SECBINFHSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1[C@@H](C#N)[C@@H]1c1cccc(O)c1 259545872 573664623 /nfs/dbraw/zinc/66/46/23/573664623.db2.gz GUUNFQBRSICHCS-ONOSFVFSSA-N 0 0 173.215 2.265 10 30 AEEERN CO[C@]1(C#N)CCCC1(C)C 86869972 573664688 /nfs/dbraw/zinc/66/46/88/573664688.db2.gz BOXFKARIBGUMJN-VIFPVBQESA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H](O)c1c[nH]c2cc(C#N)ccc12 235543133 573664693 /nfs/dbraw/zinc/66/46/93/573664693.db2.gz BQBVNNDPNUDHPV-ZETCQYMHSA-N 0 0 186.214 2.093 10 30 AEEERN C[C@H](O)c1c[nH]c2cccc(C#N)c12 235543208 573664795 /nfs/dbraw/zinc/66/47/95/573664795.db2.gz ZNBQYCCGNUOJDC-ZETCQYMHSA-N 0 0 186.214 2.093 10 30 AEEERN CC[C@@H](CC#N)C(=O)c1ccccn1 43368371 573664854 /nfs/dbraw/zinc/66/48/54/573664854.db2.gz RDIHWQJIVIBKKN-VIFPVBQESA-N 0 0 188.230 2.204 10 30 AEEERN CC[C@H](CC#N)C(=O)c1ccccn1 43368372 573666444 /nfs/dbraw/zinc/66/64/44/573666444.db2.gz RDIHWQJIVIBKKN-SECBINFHSA-N 0 0 188.230 2.204 10 30 AEEERN N#CCCSc1cccc(N)c1 83824720 573667001 /nfs/dbraw/zinc/66/70/01/573667001.db2.gz HUOUPEVAMKEBCH-UHFFFAOYSA-N 0 0 178.260 2.275 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C/C(C)C 308416314 573665909 /nfs/dbraw/zinc/66/59/09/573665909.db2.gz NGLJLLKRQOYBCB-QROSGCPLSA-N 0 0 180.247 2.154 10 30 AEEERN C=CCc1cc(C)c(O)c(O)c1 238474562 573665863 /nfs/dbraw/zinc/66/58/63/573665863.db2.gz ZWWBZPQXVNZDFT-UHFFFAOYSA-N 0 0 164.204 2.135 10 30 AEEERN SCCCNc1cccs1 258859563 573665869 /nfs/dbraw/zinc/66/58/69/573665869.db2.gz JWQFJFNHTNQLRI-UHFFFAOYSA-N 0 0 173.306 2.480 10 30 AEEERN CC1(C)CCC[C@@]12CC(=O)C=CO2 86869246 573666081 /nfs/dbraw/zinc/66/60/81/573666081.db2.gz ZPTCDCHYKLYFRL-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN CC(C)(C#N)[C@@]1(O)CCCC1(C)C 86870109 573666114 /nfs/dbraw/zinc/66/61/14/573666114.db2.gz WBAINPUWYLNALG-LLVKDONJSA-N 0 0 181.279 2.477 10 30 AEEERN CO[C@@](C)(C=O)CCc1ccccc1 257843888 573666144 /nfs/dbraw/zinc/66/61/44/573666144.db2.gz MZNXAPMVRLUSQP-GFCCVEGCSA-N 0 0 192.258 2.223 10 30 AEEERN CC1(C)CCC[C@@H]1C=O 86869218 573666177 /nfs/dbraw/zinc/66/61/77/573666177.db2.gz OFIMQRAIALKYKY-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN Cc1ccc(N(C)[C@@H](C)C#N)cc1 258854469 573666186 /nfs/dbraw/zinc/66/61/86/573666186.db2.gz SFKWXZVIBRYJBQ-JTQLQIEISA-N 0 0 174.247 2.343 10 30 AEEERN Cc1cc(NCCS)ccc1F 258859457 573666247 /nfs/dbraw/zinc/66/62/47/573666247.db2.gz JVOPNXXIXUAPMS-UHFFFAOYSA-N 0 0 185.267 2.476 10 30 AEEERN Cc1cccc([C@@]2(C#N)CCCN2)c1 258861516 573666261 /nfs/dbraw/zinc/66/62/61/573666261.db2.gz WONUOVBFHGXZIC-LBPRGKRZSA-N 0 0 186.258 2.097 10 30 AEEERN CN(C)[C@@]1(C#N)CCCC1(C)C 86867630 573666989 /nfs/dbraw/zinc/66/69/89/573666989.db2.gz WWHDGWFIWAVBGN-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H](O)/C=C/C#CC1=CCCCC1 238476180 573666554 /nfs/dbraw/zinc/66/65/54/573666554.db2.gz VMAWLEQBQCMXNS-ZRQQLDRUSA-N 0 0 176.259 2.427 10 30 AEEERN CC(C)(C)[C@H](NCC#N)c1ccco1 308667055 573666742 /nfs/dbraw/zinc/66/67/42/573666742.db2.gz SYUZOQOMEYHCMY-SNVBAGLBSA-N 0 0 192.262 2.480 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCCC1(C)C 86870099 573666798 /nfs/dbraw/zinc/66/67/98/573666798.db2.gz ZJOZDRDMFSFPQB-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C\C(C)C 308416311 573666802 /nfs/dbraw/zinc/66/68/02/573666802.db2.gz NGLJLLKRQOYBCB-GQYWMQPJSA-N 0 0 180.247 2.154 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)C1=O 238476422 573666901 /nfs/dbraw/zinc/66/69/01/573666901.db2.gz QGJUGXJZLYULLC-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)CCC[C@]12CC(=O)C=CO2 86869248 573666917 /nfs/dbraw/zinc/66/69/17/573666917.db2.gz ZPTCDCHYKLYFRL-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN CC(C)(C#N)[C@]1(O)CCCC1(C)C 86870111 573666934 /nfs/dbraw/zinc/66/69/34/573666934.db2.gz WBAINPUWYLNALG-NSHDSACASA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C)c1n[nH]c2c1CC[C@@H]2C#N 259546453 573667733 /nfs/dbraw/zinc/66/77/33/573667733.db2.gz DAKQVJFMPNIMQF-SSDOTTSWSA-N 0 0 189.262 2.261 10 30 AEEERN C[C@]1(C=O)C[C@@H]1C#Cc1ccccc1 238466930 573669748 /nfs/dbraw/zinc/66/97/48/573669748.db2.gz RNIOTPSVSHGWOK-QWHCGFSZSA-N 0 0 184.238 2.263 10 30 AEEERN C[C@]1(C=O)C[C@H]1C(=O)c1ccccc1 238467174 573670961 /nfs/dbraw/zinc/67/09/61/573670961.db2.gz XYYDQZODWSBCOK-CMPLNLGQSA-N 0 0 188.226 2.094 10 30 AEEERN C[C@H]1[C@H](c2cccc(O)c2)[C@@H]1C#N 259545866 573669436 /nfs/dbraw/zinc/66/94/36/573669436.db2.gz GUUNFQBRSICHCS-AVPPRXQKSA-N 0 0 173.215 2.265 10 30 AEEERN CC[C@H](CC#N)C(=O)c1cccnc1 43368408 573669470 /nfs/dbraw/zinc/66/94/70/573669470.db2.gz QEJYPTCUTLAEBI-SECBINFHSA-N 0 0 188.230 2.204 10 30 AEEERN CC[C@@H](CC#N)C(=O)c1ccncc1 43368457 573669490 /nfs/dbraw/zinc/66/94/90/573669490.db2.gz UJEOULUEEVPNMN-VIFPVBQESA-N 0 0 188.230 2.204 10 30 AEEERN CC1(C)CCC[C@@](C)(C#N)C1=O 86872503 573669534 /nfs/dbraw/zinc/66/95/34/573669534.db2.gz ANZJWWCWBJTJAO-JTQLQIEISA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCCC1(C)C 86874384 573669541 /nfs/dbraw/zinc/66/95/41/573669541.db2.gz GIRQGGGOSYVWMO-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN COc1cc(C)cc(C)c1NCC#N 258854610 573669627 /nfs/dbraw/zinc/66/96/27/573669627.db2.gz SHXMLYXZBBOGNM-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN Fc1cccc(C2(CS)COC2)c1 258864812 573669634 /nfs/dbraw/zinc/66/96/34/573669634.db2.gz ROTQGMMELMXHQA-UHFFFAOYSA-N 0 0 198.262 2.024 10 30 AEEERN C[C@@H]1[C@H](C#N)[C@@H]1c1cccc(O)c1 259545869 573669640 /nfs/dbraw/zinc/66/96/40/573669640.db2.gz GUUNFQBRSICHCS-GGVZMXCHSA-N 0 0 173.215 2.265 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C=C(C)C 308412275 573669655 /nfs/dbraw/zinc/66/96/55/573669655.db2.gz LYJZYFQNNVEASK-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN CC(C)C[C@@H](CC#N)c1ncc[nH]1 259550644 573673183 /nfs/dbraw/zinc/67/31/83/573673183.db2.gz BPBRDDOYBHRVAG-SECBINFHSA-N 0 0 177.251 2.453 10 30 AEEERN CC[C@H](CC#N)OC(=O)C=C(C)C 308412274 573669713 /nfs/dbraw/zinc/66/97/13/573669713.db2.gz LYJZYFQNNVEASK-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN CC[C@H](C#N)CNc1ccccn1 258864042 573669842 /nfs/dbraw/zinc/66/98/42/573669842.db2.gz AVJIFGUPJCQVIB-SECBINFHSA-N 0 0 175.235 2.043 10 30 AEEERN C#C[C@](C)(C=C)[C@H]1CCCC1=O 238475646 573669884 /nfs/dbraw/zinc/66/98/84/573669884.db2.gz UNHLXTVCRAYHMO-GXSJLCMTSA-N 0 0 162.232 2.181 10 30 AEEERN C=CCOC(=O)C1(C(F)(F)F)CC1 308411871 573669940 /nfs/dbraw/zinc/66/99/40/573669940.db2.gz OSRPABNOEHNZLU-UHFFFAOYSA-N 0 0 194.152 2.058 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CCCC1(C)C 86874387 573670064 /nfs/dbraw/zinc/67/00/64/573670064.db2.gz GIRQGGGOSYVWMO-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN Cc1cccc([C@]2(C#N)CCCN2)c1 258861510 573670102 /nfs/dbraw/zinc/67/01/02/573670102.db2.gz WONUOVBFHGXZIC-GFCCVEGCSA-N 0 0 186.258 2.097 10 30 AEEERN Cc1cc2ccccn2c1CC#N 259547303 573670122 /nfs/dbraw/zinc/67/01/22/573670122.db2.gz RJCVUKIBTRXSBR-UHFFFAOYSA-N 0 0 170.215 2.314 10 30 AEEERN C[C@@H]1[C@H](C#N)[C@H]1c1ccccc1O 259617277 573670130 /nfs/dbraw/zinc/67/01/30/573670130.db2.gz NGZPEKDQHZQHEC-POZPLHJXSA-N 0 0 173.215 2.265 10 30 AEEERN C[C@H]1C[C@H]2CCCC2=CC1=O 238475582 573670164 /nfs/dbraw/zinc/67/01/64/573670164.db2.gz BDKRKMFFUMXVKU-JGVFFNPUSA-N 0 0 150.221 2.322 10 30 AEEERN N#C[C@@]12CCCC[C@@H]1C2 259546984 573673661 /nfs/dbraw/zinc/67/36/61/573673661.db2.gz GXQCNMRPUJAWDU-SFYZADRCSA-N 0 0 121.183 2.090 10 30 AEEERN C=C1C[C@@H]1[C@H](C)[C@@H](C)C(C)=O 238475991 573670233 /nfs/dbraw/zinc/67/02/33/573670233.db2.gz ODWJCQRWCUBNPB-MRTMQBJTSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H]1[C@@H](C#N)[C@@H]1c1ccccc1O 259617279 573670254 /nfs/dbraw/zinc/67/02/54/573670254.db2.gz NGZPEKDQHZQHEC-ZOFUNIGCSA-N 0 0 173.215 2.265 10 30 AEEERN C[C@@H](CC=O)c1ccc2c(c1)OCC2 258075632 573670277 /nfs/dbraw/zinc/67/02/77/573670277.db2.gz MODFWDHDTKWNDN-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN C#Cc1cc(Cl)cc([N+](=O)[O-])c1 144632493 573670316 /nfs/dbraw/zinc/67/03/16/573670316.db2.gz XFSFEAWOIFEZJL-UHFFFAOYSA-N 0 0 181.578 2.230 10 30 AEEERN C[C@H]1CCC(=O)[C@@H]1CC(C)(C)C=O 238475939 573670452 /nfs/dbraw/zinc/67/04/52/573670452.db2.gz IPCLIZDLVSRSTB-DTWKUNHWSA-N 0 0 182.263 2.217 10 30 AEEERN COc1ccccc1[C@H](O)CCS 259155397 573670476 /nfs/dbraw/zinc/67/04/76/573670476.db2.gz NGBTVRABCPXKKJ-SECBINFHSA-N 0 0 198.287 2.049 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCC1(C)C 86874262 573670515 /nfs/dbraw/zinc/67/05/15/573670515.db2.gz RTQWQQMGFOLQNW-BDAKNGLRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCCC1(C)C 86874999 573670593 /nfs/dbraw/zinc/67/05/93/573670593.db2.gz XLWKFCURJBGLQH-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN N#Cc1cncc([C@H]2CCCCO2)c1 259617270 573670638 /nfs/dbraw/zinc/67/06/38/573670638.db2.gz DYKCKWQFDVCQJU-LLVKDONJSA-N 0 0 188.230 2.195 10 30 AEEERN N#CCNc1ccc(Cl)s1 258870468 573670643 /nfs/dbraw/zinc/67/06/43/573670643.db2.gz UNSIYRKKNQIJIA-UHFFFAOYSA-N 0 0 172.640 2.337 10 30 AEEERN CC1=CC(=O)[C@]2(CC1)C[C@H]2C 238467283 573670736 /nfs/dbraw/zinc/67/07/36/573670736.db2.gz ZQRNCIXTQCDITG-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN CCc1ccc(OC)c(NCC#N)c1 258870666 573670770 /nfs/dbraw/zinc/67/07/70/573670770.db2.gz UOWAUKNPTAIEJF-UHFFFAOYSA-N 0 0 190.246 2.193 10 30 AEEERN CC1(C)CCC[C@](C)(C#N)C1=O 86872507 573670820 /nfs/dbraw/zinc/67/08/20/573670820.db2.gz ANZJWWCWBJTJAO-SNVBAGLBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@]1(C=O)C[C@@H]([Si](C)(C)C)CC1=O 238466911 573670834 /nfs/dbraw/zinc/67/08/34/573670834.db2.gz RFVVPTIRISZZPH-WCBMZHEXSA-N 0 0 198.338 2.263 10 30 AEEERN C=C(CO)[C@H]1C=C[C@@H](C)CC1 238475451 573670851 /nfs/dbraw/zinc/67/08/51/573670851.db2.gz QWULSQBHSZWPOT-SCZZXKLOSA-N 0 0 152.237 2.137 10 30 AEEERN COc1ccccc1[C@@H](O)CCS 259155401 573670898 /nfs/dbraw/zinc/67/08/98/573670898.db2.gz NGBTVRABCPXKKJ-VIFPVBQESA-N 0 0 198.287 2.049 10 30 AEEERN CO[C@@H]1C[C@H](C)CC[C@H]1CC#N 259546575 573670907 /nfs/dbraw/zinc/67/09/07/573670907.db2.gz BHHGQYABABEZLI-KXUCPTDWSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@]1(C=O)C[C@@H]1C(=O)c1ccccc1 238466952 573670928 /nfs/dbraw/zinc/67/09/28/573670928.db2.gz XYYDQZODWSBCOK-ZYHUDNBSSA-N 0 0 188.226 2.094 10 30 AEEERN C[C@](C#N)(CC#N)c1ccccc1C#N 259547128 573671083 /nfs/dbraw/zinc/67/10/83/573671083.db2.gz MQVAIANPMHYBDE-GFCCVEGCSA-N 0 0 195.225 2.253 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCCC1(C)C 86875004 573671132 /nfs/dbraw/zinc/67/11/32/573671132.db2.gz XLWKFCURJBGLQH-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN C#C[C@](C)(C=C)[C@@H]1CCCC1=O 238475589 573671162 /nfs/dbraw/zinc/67/11/62/573671162.db2.gz UNHLXTVCRAYHMO-MWLCHTKSSA-N 0 0 162.232 2.181 10 30 AEEERN C=C(C)[C@H]1C(=O)CC[C@@H]1C 238475877 573671173 /nfs/dbraw/zinc/67/11/73/573671173.db2.gz QXOUIKCWDIVFQS-IONNQARKSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC(=O)[C@H](F)c1ccccc1 144655067 573671285 /nfs/dbraw/zinc/67/12/85/573671285.db2.gz OZDYAEVDYJMUEA-SNVBAGLBSA-N 0 0 164.179 2.452 10 30 AEEERN N#C[C@]12CCCC[C@H]1C2 259546982 573673708 /nfs/dbraw/zinc/67/37/08/573673708.db2.gz GXQCNMRPUJAWDU-JGVFFNPUSA-N 0 0 121.183 2.090 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCCC1(C)C 86875001 573671314 /nfs/dbraw/zinc/67/13/14/573671314.db2.gz XLWKFCURJBGLQH-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN Cc1nc2c(cc1C#N)C[C@@H](C)CC2 259547058 573671323 /nfs/dbraw/zinc/67/13/23/573671323.db2.gz CPRLLDSYCLKNOE-QMMMGPOBSA-N 0 0 186.258 2.387 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCC1(C)C 86874259 573671410 /nfs/dbraw/zinc/67/14/10/573671410.db2.gz RTQWQQMGFOLQNW-IUCAKERBSA-N 0 0 166.268 2.067 10 30 AEEERN Cc1ccccc1Cc1nc(C#N)c[nH]1 259550636 573671429 /nfs/dbraw/zinc/67/14/29/573671429.db2.gz DIOOEQNXRBYVQS-UHFFFAOYSA-N 0 0 197.241 2.181 10 30 AEEERN C=CCSCC(=O)c1ccn(C)c1 393547229 573671465 /nfs/dbraw/zinc/67/14/65/573671465.db2.gz ITRTVLBCGGODFB-UHFFFAOYSA-N 0 0 195.287 2.127 10 30 AEEERN C=C[C@@](C)(C=O)[C@H]1CCCC(=O)C1 238475750 573671544 /nfs/dbraw/zinc/67/15/44/573671544.db2.gz ORZIUACPTTXKLK-ONGXEEELSA-N 0 0 180.247 2.137 10 30 AEEERN C#CCN(CC=C)c1ccccc1C=O 308875325 573671670 /nfs/dbraw/zinc/67/16/70/573671670.db2.gz UKAXDYUZMKIOGK-UHFFFAOYSA-N 0 0 199.253 2.125 10 30 AEEERN C[C@]1(C=O)C[C@H]([Si](C)(C)C)CC1=O 238467140 573671692 /nfs/dbraw/zinc/67/16/92/573671692.db2.gz RFVVPTIRISZZPH-PSASIEDQSA-N 0 0 198.338 2.263 10 30 AEEERN N#Cc1cncc([C@@H]2CCCCO2)c1 259617288 573671735 /nfs/dbraw/zinc/67/17/35/573671735.db2.gz DYKCKWQFDVCQJU-NSHDSACASA-N 0 0 188.230 2.195 10 30 AEEERN C[C@@H](F)c1ccc(O)c(C#N)c1 258078477 573671763 /nfs/dbraw/zinc/67/17/63/573671763.db2.gz VJECJKGGHOBEEH-ZCFIWIBFSA-N 0 0 165.167 2.294 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCCC1(C)C 86874391 573671983 /nfs/dbraw/zinc/67/19/83/573671983.db2.gz GIRQGGGOSYVWMO-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1[C@H](c2ccccc2O)[C@@H]1C#N 259617271 573672326 /nfs/dbraw/zinc/67/23/26/573672326.db2.gz NGZPEKDQHZQHEC-BCMRRPTOSA-N 0 0 173.215 2.265 10 30 AEEERN N#CCCSc1cc(F)ccc1N 83825719 573672341 /nfs/dbraw/zinc/67/23/41/573672341.db2.gz SQTAFJWBQMZVRE-UHFFFAOYSA-N 0 0 196.250 2.414 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCCC1(C)C 86874996 573672449 /nfs/dbraw/zinc/67/24/49/573672449.db2.gz XLWKFCURJBGLQH-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN C=C[C@@](C)(C=O)[C@@H]1CCCC(=O)C1 238475700 573672460 /nfs/dbraw/zinc/67/24/60/573672460.db2.gz ORZIUACPTTXKLK-KOLCDFICSA-N 0 0 180.247 2.137 10 30 AEEERN Cc1c(Cl)ccc(O)c1C#N 258076962 573672612 /nfs/dbraw/zinc/67/26/12/573672612.db2.gz VFALJNUQYOETDP-UHFFFAOYSA-N 0 0 167.595 2.226 10 30 AEEERN C=C[C@@H](CC)NC(=O)c1ccccc1 238299284 573672621 /nfs/dbraw/zinc/67/26/21/573672621.db2.gz FFAIOGOTFPXPHV-NSHDSACASA-N 0 0 189.258 2.381 10 30 AEEERN C[C@]1(C=O)C[C@H]1C#Cc1ccccc1 238467161 573672630 /nfs/dbraw/zinc/67/26/30/573672630.db2.gz RNIOTPSVSHGWOK-CHWSQXEVSA-N 0 0 184.238 2.263 10 30 AEEERN C#CC[C@@H](O)C1(CC=C)CCC1 238693047 573672638 /nfs/dbraw/zinc/67/26/38/573672638.db2.gz ATAFYDFEAXSXKE-SNVBAGLBSA-N 0 0 164.248 2.117 10 30 AEEERN C[C@@H]1[C@H](C#N)[C@@H]1c1ccccc1O 259617273 573672651 /nfs/dbraw/zinc/67/26/51/573672651.db2.gz NGZPEKDQHZQHEC-HDBBIHSSSA-N 0 0 173.215 2.265 10 30 AEEERN CCOc1ccc(N(C)CS)cc1 258866999 573672698 /nfs/dbraw/zinc/67/26/98/573672698.db2.gz GIQAVULWWRQQAY-UHFFFAOYSA-N 0 0 197.303 2.409 10 30 AEEERN N#Cc1cccc(C2CCOCC2)c1 258078184 573672706 /nfs/dbraw/zinc/67/27/06/573672706.db2.gz MXBMHPINZBQUQM-UHFFFAOYSA-N 0 0 187.242 2.452 10 30 AEEERN CCCNN=CC(C)(C)CCC#N 308410853 573672749 /nfs/dbraw/zinc/67/27/49/573672749.db2.gz LNCAAYGRRPBIRE-UHFFFAOYSA-N 0 0 181.283 2.302 10 30 AEEERN SCNc1c[nH]c2ccccc12 258869244 573672769 /nfs/dbraw/zinc/67/27/69/573672769.db2.gz GNCNFVNPPFFTRM-UHFFFAOYSA-N 0 0 178.260 2.467 10 30 AEEERN Cc1cc(CCCC#N)ccn1 238475560 573672825 /nfs/dbraw/zinc/67/28/25/573672825.db2.gz SQYOJQKHJAWUQD-UHFFFAOYSA-N 0 0 160.220 2.236 10 30 AEEERN CO[C@@H]1C[C@H](C)CC[C@@H]1CC#N 259546578 573672897 /nfs/dbraw/zinc/67/28/97/573672897.db2.gz BHHGQYABABEZLI-OPRDCNLKSA-N 0 0 167.252 2.351 10 30 AEEERN Cc1cc(C#N)cc(OC(C)C)n1 144683594 573673017 /nfs/dbraw/zinc/67/30/17/573673017.db2.gz QPZZIBVKNCYSCX-UHFFFAOYSA-N 0 0 176.219 2.049 10 30 AEEERN N#CC[C@@H]1CCS[C@]2(CCOC2)C1 259550624 573673029 /nfs/dbraw/zinc/67/30/29/573673029.db2.gz DIKSLCKLWAFOER-NXEZZACHSA-N 0 0 197.303 2.202 10 30 AEEERN CN(c1cccs1)C(C)(C)C#N 258872738 573673035 /nfs/dbraw/zinc/67/30/35/573673035.db2.gz UTHPVDXEONXMQU-UHFFFAOYSA-N 0 0 180.276 2.486 10 30 AEEERN C[C@]12Nc3ccccc3[C@@]1(C)O2 238475436 573673063 /nfs/dbraw/zinc/67/30/63/573673063.db2.gz IXQRCPCXNANNPE-NXEZZACHSA-N 0 0 161.204 2.074 10 30 AEEERN CC(C)C[C@@H](C#N)C(=O)C(C)C 43374814 573673098 /nfs/dbraw/zinc/67/30/98/573673098.db2.gz QITNSZGDGKOXOW-VIFPVBQESA-N 0 0 167.252 2.397 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCC1(C)C 86874254 573673112 /nfs/dbraw/zinc/67/31/12/573673112.db2.gz RTQWQQMGFOLQNW-DTWKUNHWSA-N 0 0 166.268 2.067 10 30 AEEERN N#CC[C@H]1CCS[C@@]2(CCOC2)C1 259550625 573673128 /nfs/dbraw/zinc/67/31/28/573673128.db2.gz DIKSLCKLWAFOER-UWVGGRQHSA-N 0 0 197.303 2.202 10 30 AEEERN Cc1ccnc(C(F)F)c1CC#N 238467013 573673140 /nfs/dbraw/zinc/67/31/40/573673140.db2.gz YAYOBVZNOYVIQO-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN O=C1CCCC2=C1[C@H]1CC[C@@H]2C1 144651048 573673231 /nfs/dbraw/zinc/67/32/31/573673231.db2.gz BGFXCDAHEKDWRJ-SFYZADRCSA-N 0 0 162.232 2.466 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCC1(C)C 86874257 573673248 /nfs/dbraw/zinc/67/32/48/573673248.db2.gz RTQWQQMGFOLQNW-RKDXNWHRSA-N 0 0 166.268 2.067 10 30 AEEERN N#CC[C@@H]1CCS[C@@]2(CCOC2)C1 259550627 573673397 /nfs/dbraw/zinc/67/33/97/573673397.db2.gz DIKSLCKLWAFOER-ZJUUUORDSA-N 0 0 197.303 2.202 10 30 AEEERN C=C(C)Cc1cccc(O)c1O 144655279 573673405 /nfs/dbraw/zinc/67/34/05/573673405.db2.gz MOTUKWXOBFPROQ-UHFFFAOYSA-N 0 0 164.204 2.216 10 30 AEEERN Cc1coc(-c2occc2C#N)n1 259546648 573673499 /nfs/dbraw/zinc/67/34/99/573673499.db2.gz BIJZPGWPIHRVAX-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CCCC1(C)C 86874382 573673516 /nfs/dbraw/zinc/67/35/16/573673516.db2.gz GIRQGGGOSYVWMO-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)C[C@H](CC#N)c1ncc[nH]1 259550647 573673587 /nfs/dbraw/zinc/67/35/87/573673587.db2.gz BPBRDDOYBHRVAG-VIFPVBQESA-N 0 0 177.251 2.453 10 30 AEEERN CC(C)C[C@H](C#N)C(=O)C(C)C 43374816 573673761 /nfs/dbraw/zinc/67/37/61/573673761.db2.gz QITNSZGDGKOXOW-SECBINFHSA-N 0 0 167.252 2.397 10 30 AEEERN N#Cc1[nH]c(=S)[nH]c1C1CCCC1 259550594 573673897 /nfs/dbraw/zinc/67/38/97/573673897.db2.gz DGZMFVIFMNTSAN-UHFFFAOYSA-N 0 0 193.275 2.228 10 30 AEEERN N#CC[C@H]1CCS[C@]2(CCOC2)C1 259550626 573674006 /nfs/dbraw/zinc/67/40/06/573674006.db2.gz DIKSLCKLWAFOER-VHSXEESVSA-N 0 0 197.303 2.202 10 30 AEEERN Cc1cc(F)c(CCC=O)cc1F 258078180 573674113 /nfs/dbraw/zinc/67/41/13/573674113.db2.gz MWWHZQRPLCPHCD-UHFFFAOYSA-N 0 0 184.185 2.405 10 30 AEEERN C=C1Cc2ccsc2C1=O 144631272 573674176 /nfs/dbraw/zinc/67/41/76/573674176.db2.gz WOSZGZCSMHNXQU-UHFFFAOYSA-N 0 0 150.202 2.043 10 30 AEEERN COc1c(C)cc(F)cc1CCC=O 258078160 573674196 /nfs/dbraw/zinc/67/41/96/573674196.db2.gz MVOGEOFKWNFDMA-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CCOC(=O)[C@](C)(C#N)CC(C)C 126758645 573674277 /nfs/dbraw/zinc/67/42/77/573674277.db2.gz RKLSTNPONQFKHS-JTQLQIEISA-N 0 0 183.251 2.125 10 30 AEEERN C=C1OC(=C)[C@@H]2C(=O)C1C[C@@H]2C 238467698 573674278 /nfs/dbraw/zinc/67/42/78/573674278.db2.gz MYCMTUKIXBBPAT-SSDLBLMSSA-N 0 0 164.204 2.029 10 30 AEEERN C=CC[C@@H](C)[C@H](O)C(=C)C 238468196 573674296 /nfs/dbraw/zinc/67/42/96/573674296.db2.gz ORHKHTRZKJUQIC-RKDXNWHRSA-N 0 0 140.226 2.136 10 30 AEEERN C/C(=C/CO)[C@@H]1C=CCC[C@@]1(C)C=O 238468661 573674491 /nfs/dbraw/zinc/67/44/91/573674491.db2.gz GSHLICLSMSYYFH-AUSWNFFYSA-N 0 0 194.274 2.096 10 30 AEEERN CCOc1ccc(CNCS)cc1 258867037 573674553 /nfs/dbraw/zinc/67/45/53/573674553.db2.gz GJGFAUZSOGILAQ-UHFFFAOYSA-N 0 0 197.303 2.062 10 30 AEEERN C=C1CC[C@H](CC=O)[C@]1(C)CC#N 238468417 573674613 /nfs/dbraw/zinc/67/46/13/573674613.db2.gz LTORAFGUJNPDCH-GHMZBOCLSA-N 0 0 177.247 2.462 10 30 AEEERN CC(C)C[C@H](C#N)C(=O)C1CC1 43374824 573674699 /nfs/dbraw/zinc/67/46/99/573674699.db2.gz YHZKOZSCKGUHPY-SECBINFHSA-N 0 0 165.236 2.151 10 30 AEEERN N#Cc1cncc2cnc(Cl)cc12 259550621 573674813 /nfs/dbraw/zinc/67/48/13/573674813.db2.gz DIJFIRTWTQAJJG-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN CO[C@@H]1C[C@@H](C)CC[C@H]1CC#N 259546577 573674857 /nfs/dbraw/zinc/67/48/57/573674857.db2.gz BHHGQYABABEZLI-LPEHRKFASA-N 0 0 167.252 2.351 10 30 AEEERN Cc1ncc(CC#N)c(C(F)F)c1O 238467928 573674931 /nfs/dbraw/zinc/67/49/31/573674931.db2.gz RWIYKXFFMCIUNB-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C[C@@](C#N)(CC#N)c1ccccc1C#N 259547132 573674942 /nfs/dbraw/zinc/67/49/42/573674942.db2.gz MQVAIANPMHYBDE-LBPRGKRZSA-N 0 0 195.225 2.253 10 30 AEEERN CC(C)C[C@@H](C#N)C(=O)C1CC1 43374822 573675466 /nfs/dbraw/zinc/67/54/66/573675466.db2.gz YHZKOZSCKGUHPY-VIFPVBQESA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H](C#CCc1ccccc1)CC=O 238468569 573674971 /nfs/dbraw/zinc/67/49/71/573674971.db2.gz FGRWFUXXBRBJRV-LBPRGKRZSA-N 0 0 186.254 2.458 10 30 AEEERN Cc1ccnc(CCCC#N)c1 238468433 573675016 /nfs/dbraw/zinc/67/50/16/573675016.db2.gz CHUBBZAORIWOPO-UHFFFAOYSA-N 0 0 160.220 2.236 10 30 AEEERN C/C(=C/CO)[C@@H]1C=CCC[C@]1(C)C=O 238468674 573675027 /nfs/dbraw/zinc/67/50/27/573675027.db2.gz GSHLICLSMSYYFH-RPGNDLBOSA-N 0 0 194.274 2.096 10 30 AEEERN Cc1nc2c(cc1C#N)C[C@H](C)CC2 259547054 573675041 /nfs/dbraw/zinc/67/50/41/573675041.db2.gz CPRLLDSYCLKNOE-MRVPVSSYSA-N 0 0 186.258 2.387 10 30 AEEERN C=C1CCc2cc(N)ccc21 86883491 573675096 /nfs/dbraw/zinc/67/50/96/573675096.db2.gz JNEAKUQPPLTBAZ-UHFFFAOYSA-N 0 0 145.205 2.228 10 30 AEEERN CC(C)CCNc1ncc(C#N)s1 258869953 573675135 /nfs/dbraw/zinc/67/51/35/573675135.db2.gz CVFZXTBXNKXRJP-UHFFFAOYSA-N 0 0 195.291 2.473 10 30 AEEERN CCn1ccnc1C#Cc1ccccc1 238300062 573675174 /nfs/dbraw/zinc/67/51/74/573675174.db2.gz FVQWPOHFDCZVPI-UHFFFAOYSA-N 0 0 196.253 2.303 10 30 AEEERN Cc1ccsc1NCCS 258868934 573675188 /nfs/dbraw/zinc/67/51/88/573675188.db2.gz KVBSDSUQOIXFJI-UHFFFAOYSA-N 0 0 173.306 2.398 10 30 AEEERN Cc1ncc(CC#N)cc1C(F)F 238468631 573675244 /nfs/dbraw/zinc/67/52/44/573675244.db2.gz OSXJOFVWQQNCIY-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C[C@]1(C=O)O[C@H]1CC1CCCCC1 238467479 573675409 /nfs/dbraw/zinc/67/54/09/573675409.db2.gz AMNQQNCCQFBPEN-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN N#Cc1cc2cn3c(c2[nH]1)CCCC3 259549032 573676235 /nfs/dbraw/zinc/67/62/35/573676235.db2.gz CWBZQMDVGNQSLY-UHFFFAOYSA-N 0 0 185.230 2.177 10 30 AEEERN C=C(C)[C@@H]1CC[C@H]([C@@H](C)O)C1 238468328 573676245 /nfs/dbraw/zinc/67/62/45/573676245.db2.gz MRDTUWIOQBDLOL-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@]1(c2ccccc2)C[C@@H]1C=O 238468638 573676370 /nfs/dbraw/zinc/67/63/70/573676370.db2.gz YLWGQJQQDLGSLU-GHMZBOCLSA-N 0 0 160.216 2.163 10 30 AEEERN COCc1cccc(CC#N)c1F 258076548 573676374 /nfs/dbraw/zinc/67/63/74/573676374.db2.gz VBRPVGHNUADRTC-UHFFFAOYSA-N 0 0 179.194 2.038 10 30 AEEERN C/C(C#Cc1ccc(C)cc1)=C/CO 238468561 573676441 /nfs/dbraw/zinc/67/64/41/573676441.db2.gz BIXJYIYOUXLWOX-XFXZXTDPSA-N 0 0 186.254 2.285 10 30 AEEERN CON=C(C)Cc1ccc(OC)cc1 308415199 573676528 /nfs/dbraw/zinc/67/65/28/573676528.db2.gz MGZULLABGMGISV-UHFFFAOYSA-N 0 0 193.246 2.260 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)C(=C)C 238468056 573676558 /nfs/dbraw/zinc/67/65/58/573676558.db2.gz ORHKHTRZKJUQIC-BDAKNGLRSA-N 0 0 140.226 2.136 10 30 AEEERN N#C[C@@H]1CCCc2nc(C3CC3)[nH]c21 259550772 573676694 /nfs/dbraw/zinc/67/66/94/573676694.db2.gz CWMAOQIAUDLXMT-QMMMGPOBSA-N 0 0 187.246 2.231 10 30 AEEERN Cc1ccccc1[C@@H](N)C1(C#N)CC1 259156988 573676741 /nfs/dbraw/zinc/67/67/41/573676741.db2.gz BTQBZTOIIHEQEE-LLVKDONJSA-N 0 0 186.258 2.299 10 30 AEEERN C[C@@H]1C[C@]2(O[C@@H]1C)OC21CCCC1 238468006 573676756 /nfs/dbraw/zinc/67/67/56/573676756.db2.gz CDIKDXCHQWMPKX-KKZNHRDASA-N 0 0 182.263 2.471 10 30 AEEERN N#C[C@H]1CCc2c3c[nH]ccc-3nc21 259550877 573676781 /nfs/dbraw/zinc/67/67/81/573676781.db2.gz CYEQGTOANPUGGB-SSDOTTSWSA-N 0 0 183.214 2.116 10 30 AEEERN C[C@H]1CC2=C(C1)C(=O)CC2 238467719 573676883 /nfs/dbraw/zinc/67/68/83/573676883.db2.gz QDZBCLNJIMBXAR-LURJTMIESA-N 0 0 136.194 2.076 10 30 AEEERN Cc1coc(-c2cc(C)[nH]c2C#N)n1 259548927 573676949 /nfs/dbraw/zinc/67/69/49/573676949.db2.gz CTKNADHDAMAWIW-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN C[C@]1(C=O)O[C@@H]1CC1CCCCC1 238467394 573676984 /nfs/dbraw/zinc/67/69/84/573676984.db2.gz AMNQQNCCQFBPEN-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN C#CCCCCOC(=O)C1CCC1 308413552 573677008 /nfs/dbraw/zinc/67/70/08/573677008.db2.gz POACKCIKNUPRRC-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN Cc1[nH]cc(CC#N)c(=O)c1C(F)F 238468604 573677018 /nfs/dbraw/zinc/67/70/18/573677018.db2.gz MXWGKPMGLOSUIZ-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN N#CCCCc1noc2[nH]ccc12 259548664 573677039 /nfs/dbraw/zinc/67/70/39/573677039.db2.gz BNHUYSNANUDYPO-UHFFFAOYSA-N 0 0 175.191 2.002 10 30 AEEERN C=C[C@](C)(O)CNc1ccc(F)cc1 238467499 573677212 /nfs/dbraw/zinc/67/72/12/573677212.db2.gz ZUCBYWQSRKVTBF-NSHDSACASA-N 0 0 195.237 2.175 10 30 AEEERN COc1cc(CC#N)cc(C)c1F 258090425 573677269 /nfs/dbraw/zinc/67/72/69/573677269.db2.gz WWIQLRIUAQLPTH-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN C[C@H](F)Cc1cccc(C#N)c1 258090374 573677279 /nfs/dbraw/zinc/67/72/79/573677279.db2.gz WTPBIBXGDQLSLQ-QMMMGPOBSA-N 0 0 163.195 2.459 10 30 AEEERN C=C1CC[C@@H](CC=O)[C@]1(C)CC#N 238468434 573677401 /nfs/dbraw/zinc/67/74/01/573677401.db2.gz LTORAFGUJNPDCH-WDEREUQCSA-N 0 0 177.247 2.462 10 30 AEEERN N#C[C@@H]1CCc2c3c[nH]ccc-3nc21 259550881 573677418 /nfs/dbraw/zinc/67/74/18/573677418.db2.gz CYEQGTOANPUGGB-ZETCQYMHSA-N 0 0 183.214 2.116 10 30 AEEERN Cc1ccnc(CC#N)c1C(F)F 238468145 573677505 /nfs/dbraw/zinc/67/75/05/573677505.db2.gz DMJAPATUOYMDFT-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C[C@@H](F)Cc1cccc(C#N)c1 258090373 573677702 /nfs/dbraw/zinc/67/77/02/573677702.db2.gz WTPBIBXGDQLSLQ-MRVPVSSYSA-N 0 0 163.195 2.459 10 30 AEEERN Cc1cc(CC(C)C)c(C#N)n1O 259550998 573677779 /nfs/dbraw/zinc/67/77/79/573677779.db2.gz DBSFDVULZIVUNK-UHFFFAOYSA-N 0 0 178.235 2.104 10 30 AEEERN Cc1ccc(Cc2cc(C#N)n[nH]2)cc1 259548207 573677985 /nfs/dbraw/zinc/67/79/85/573677985.db2.gz VSOAOAZFTUBFRL-UHFFFAOYSA-N 0 0 197.241 2.181 10 30 AEEERN C[C@@H]1CCCC[C@H]1C=NO 394972208 573677974 /nfs/dbraw/zinc/67/79/74/573677974.db2.gz YQNHEVAJQRENEX-SFYZADRCSA-N 0 0 141.214 2.273 10 30 AEEERN N#CCCc1ccc2n1CCCC2 259548480 573678089 /nfs/dbraw/zinc/67/80/89/573678089.db2.gz BJPMXLIQYMQTRH-UHFFFAOYSA-N 0 0 174.247 2.281 10 30 AEEERN CC1=CC[C@H](C)C(=O)C=C1 238468346 573678102 /nfs/dbraw/zinc/67/81/02/573678102.db2.gz XUIHERPCKCNLGF-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C#C[C@@]1(C)OC(=O)Nc2ccccc21 150237994 573678130 /nfs/dbraw/zinc/67/81/30/573678130.db2.gz CDUQZOXRBCRNJD-LLVKDONJSA-N 0 0 187.198 2.097 10 30 AEEERN Cc1cc2[nH]c(C#N)cc2c(C)c1N 259550906 573678279 /nfs/dbraw/zinc/67/82/79/573678279.db2.gz CYTWEWUAGWFTMF-UHFFFAOYSA-N 0 0 185.230 2.239 10 30 AEEERN CC1(C)C[C@]1(C#N)c1ccco1 259550066 573678288 /nfs/dbraw/zinc/67/82/88/573678288.db2.gz HFAPVKJSPBQBRX-JTQLQIEISA-N 0 0 161.204 2.471 10 30 AEEERN COc1ccccc1N(C)CS 258874097 573678292 /nfs/dbraw/zinc/67/82/92/573678292.db2.gz GYNFVYYGUHAROV-UHFFFAOYSA-N 0 0 183.276 2.019 10 30 AEEERN CC(C)(CS)c1ccccc1N 259548123 573678294 /nfs/dbraw/zinc/67/82/94/573678294.db2.gz CFPCAPFVDJTEND-UHFFFAOYSA-N 0 0 181.304 2.476 10 30 AEEERN N#Cc1cc(N)c2c(c1)CC(=O)S2 306677880 573678315 /nfs/dbraw/zinc/67/83/15/573678315.db2.gz GTWJBICNMZSBAY-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C[C@H]1CCCC[C@H]1C=NO 394972210 573678405 /nfs/dbraw/zinc/67/84/05/573678405.db2.gz YQNHEVAJQRENEX-YUMQZZPRSA-N 0 0 141.214 2.273 10 30 AEEERN Cc1cc(C#N)cc(F)c1CF 258090366 573678409 /nfs/dbraw/zinc/67/84/09/573678409.db2.gz WSZPTBTZUZCSQG-UHFFFAOYSA-N 0 0 167.158 2.475 10 30 AEEERN O=CCNc1cc(Cl)ccc1F 258874501 573678412 /nfs/dbraw/zinc/67/84/12/573678412.db2.gz LJQGPIPXORVPGL-UHFFFAOYSA-N 0 0 187.601 2.090 10 30 AEEERN C[C@@H](Cn1ccnc1C#N)C1CCC1 306679182 573680123 /nfs/dbraw/zinc/68/01/23/573680123.db2.gz HIPBWUHRHIGCJE-VIFPVBQESA-N 0 0 189.262 2.191 10 30 AEEERN C=C[C@@H]1C[C@H]([C@@H](C)O)C1(C)C 238469035 573680086 /nfs/dbraw/zinc/68/00/86/573680086.db2.gz UZYSIKWEFUKRAZ-IWSPIJDZSA-N 0 0 154.253 2.216 10 30 AEEERN CC1=C2C[C@H](C)C[C@@H](O)[C@@H]2CCC1=O 238469798 573680114 /nfs/dbraw/zinc/68/01/14/573680114.db2.gz XYCJPTOHJQGXRF-LPBBDHJYSA-N 0 0 194.274 2.073 10 30 AEEERN C=CCCc1c2c(nn1C)CCC2 686058370 573680011 /nfs/dbraw/zinc/68/00/11/573680011.db2.gz DLQNLZMMBCKUOC-UHFFFAOYSA-N 0 0 176.263 2.027 10 30 AEEERN CCc1cc(-c2[nH]ccc2C#N)no1 259550971 573680268 /nfs/dbraw/zinc/68/02/68/573680268.db2.gz DAXYKUGESDTCLG-UHFFFAOYSA-N 0 0 187.202 2.104 10 30 AEEERN C=C[C@@]12CCC[C@@H](C1=O)[C@@H]2C 238468723 573680160 /nfs/dbraw/zinc/68/01/60/573680160.db2.gz ZRBFPEFKODQYPP-XKSSXDPKSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)=C[C@H](C)CC=O 238468866 573680217 /nfs/dbraw/zinc/68/02/17/573680217.db2.gz SYPNRZZMJLKBPV-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN CSCc1ncc(CS)s1 82416409 573688784 /nfs/dbraw/zinc/68/87/84/573688784.db2.gz KWJMDJSRVNSLCG-UHFFFAOYSA-N 0 0 191.346 2.436 10 30 AEEERN Cc1cc(N(C)[C@H](C)C#N)ccc1F 258877445 573680304 /nfs/dbraw/zinc/68/03/04/573680304.db2.gz VEIRFJQCRYBGIN-SECBINFHSA-N 0 0 192.237 2.482 10 30 AEEERN Cc1c(O)ccc([C@@H](C)CC=O)c1O 258090631 573680306 /nfs/dbraw/zinc/68/03/06/573680306.db2.gz NWVDLNDYJSFCJS-ZETCQYMHSA-N 0 0 194.230 2.099 10 30 AEEERN C=CCO[C@](C=O)(CC)C(F)(F)F 238300301 573680366 /nfs/dbraw/zinc/68/03/66/573680366.db2.gz RSLOTOMQRJRCOO-ZETCQYMHSA-N 0 0 196.168 2.099 10 30 AEEERN CN(CS)Cc1cccc(F)c1 258874252 573680441 /nfs/dbraw/zinc/68/04/41/573680441.db2.gz HCCMYRURWFLSIS-UHFFFAOYSA-N 0 0 185.267 2.145 10 30 AEEERN Cc1cc(C(=O)CCC#N)c(C)o1 259548574 573680482 /nfs/dbraw/zinc/68/04/82/573680482.db2.gz BLRBBGYXVFOSOQ-UHFFFAOYSA-N 0 0 177.203 2.383 10 30 AEEERN CSc1ccc(C)c(O)c1C#N 258090362 573680559 /nfs/dbraw/zinc/68/05/59/573680559.db2.gz WSOQJMULWGVCKO-UHFFFAOYSA-N 0 0 179.244 2.294 10 30 AEEERN C[C@H](CC=O)[C@@H]1C=CC1(C)C 238469642 573680685 /nfs/dbraw/zinc/68/06/85/573680685.db2.gz KBRJAWUPIJFLLP-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN C#C[C@H](O)[C@H](C)CCC=C(C)C 214946780 573680739 /nfs/dbraw/zinc/68/07/39/573680739.db2.gz ILQPUDXOHIWXJY-MNOVXSKESA-N 0 0 166.264 2.363 10 30 AEEERN Cc1cc(CC#N)c(C(F)F)[nH]c1=O 238469319 573680786 /nfs/dbraw/zinc/68/07/86/573680786.db2.gz ZSRRZVALYWJGKV-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN N#Cc1cc2cc(Cl)c(N)cc2[nH]1 259548681 573680941 /nfs/dbraw/zinc/68/09/41/573680941.db2.gz DFFQRSAYFURGFS-UHFFFAOYSA-N 0 0 191.621 2.275 10 30 AEEERN CN(CC(C)(C)C#N)c1ccncc1 258874062 573680855 /nfs/dbraw/zinc/68/08/55/573680855.db2.gz GXQZNIIKQJSQAM-UHFFFAOYSA-N 0 0 189.262 2.068 10 30 AEEERN Cc1ccc(CCN[C@@H](C)C#N)cc1 258865785 573681181 /nfs/dbraw/zinc/68/11/81/573681181.db2.gz UBWDVWRZLUBCBM-NSHDSACASA-N 0 0 188.274 2.039 10 30 AEEERN Cc1c(O)ccc([C@H](C)CC=O)c1O 258090628 573680951 /nfs/dbraw/zinc/68/09/51/573680951.db2.gz NWVDLNDYJSFCJS-SSDOTTSWSA-N 0 0 194.230 2.099 10 30 AEEERN C=CCC1=CC[C@H](C)C[C@@H]1O 238468842 573680999 /nfs/dbraw/zinc/68/09/99/573680999.db2.gz QWIGEJNMJKIZRT-WPRPVWTQSA-N 0 0 152.237 2.280 10 30 AEEERN C/C(=C/CO)[C@H]1C=CCC[C@@]1(C)C=O 238468689 573681042 /nfs/dbraw/zinc/68/10/42/573681042.db2.gz GSHLICLSMSYYFH-LIPIYFLUSA-N 0 0 194.274 2.096 10 30 AEEERN N#CC[C@]12CCCN1Cc1ccccc12 214945807 573681166 /nfs/dbraw/zinc/68/11/66/573681166.db2.gz GXSLGRREMVRLQG-ZDUSSCGKSA-N 0 0 198.269 2.405 10 30 AEEERN CC(=O)c1ccc(N[C@H](C)C#N)cc1 258880021 573683873 /nfs/dbraw/zinc/68/38/73/573683873.db2.gz DRTOZPOEVKOJDZ-MRVPVSSYSA-N 0 0 188.230 2.213 10 30 AEEERN C[C@H](CC=O)[C@H]1C=CC1(C)C 238470039 573683882 /nfs/dbraw/zinc/68/38/82/573683882.db2.gz KBRJAWUPIJFLLP-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN COc1cnc2ccccc2c1CC#N 214932554 573683883 /nfs/dbraw/zinc/68/38/83/573683883.db2.gz JMHWRXBYXNFFDN-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN Cc1cc(C#N)cc(C)c1OCC#N 83843291 573683914 /nfs/dbraw/zinc/68/39/14/573683914.db2.gz AZFRCOUUQPUWOZ-UHFFFAOYSA-N 0 0 186.214 2.078 10 30 AEEERN CCC(=O)c1c(C#N)cc2ccccn12 259556529 573683921 /nfs/dbraw/zinc/68/39/21/573683921.db2.gz DSVCHGRFQSZEAL-UHFFFAOYSA-N 0 0 198.225 2.404 10 30 AEEERN C=C(C)CC(C)(C)[C@H](C)O 238485457 573685150 /nfs/dbraw/zinc/68/51/50/573685150.db2.gz BXBRILDJBMGANN-QMMMGPOBSA-N 0 0 142.242 2.360 10 30 AEEERN C#C[C@H](C)[C@H](O)/C(=C/C)[Si](C)(C)C 237988397 573685324 /nfs/dbraw/zinc/68/53/24/573685324.db2.gz VWVCRIHUPCNAGP-SMQKJXJPSA-N 0 0 196.366 2.440 10 30 AEEERN C=C(C)/C=C\CC(=C)[C@@H](C)O 215596961 573682958 /nfs/dbraw/zinc/68/29/58/573682958.db2.gz PEXAABJNMIWRTQ-WWQCOOJYSA-N 0 0 152.237 2.446 10 30 AEEERN CCCn1ncc(C#N)c1C(C)C 259556432 573683181 /nfs/dbraw/zinc/68/31/81/573683181.db2.gz UWAMTLYSOZPQSC-UHFFFAOYSA-N 0 0 177.251 2.288 10 30 AEEERN N#Cc1ccccc1[C@@H]1CCOC1 258092324 573683324 /nfs/dbraw/zinc/68/33/24/573683324.db2.gz WXEQIEPJRODXMK-SNVBAGLBSA-N 0 0 173.215 2.062 10 30 AEEERN Cc1cc(CC#N)c2cc(O)ccc2n1 214932847 573683378 /nfs/dbraw/zinc/68/33/78/573683378.db2.gz UYJMVNXBOWTDCI-UHFFFAOYSA-N 0 0 198.225 2.315 10 30 AEEERN C=CC(=O)C[C@@H](/C=C\C)OCC 214948067 573683433 /nfs/dbraw/zinc/68/34/33/573683433.db2.gz MUPYYENKZDPYKE-ISGFRBBESA-N 0 0 168.236 2.113 10 30 AEEERN CO[C@](C)(CC=O)c1ccccc1F 257847231 573683458 /nfs/dbraw/zinc/68/34/58/573683458.db2.gz NXSGXSYXOVOLNK-LLVKDONJSA-N 0 0 196.221 2.276 10 30 AEEERN C=C[C@H](O)[C@H]1CC=CC[C@@H]1C 238470117 573683512 /nfs/dbraw/zinc/68/35/12/573683512.db2.gz ZDNUOCQSOKZOHA-GUBZILKMSA-N 0 0 152.237 2.136 10 30 AEEERN C=CC[C@@]1(C)CCCC(=O)C[C@H]1O 238470620 573683562 /nfs/dbraw/zinc/68/35/62/573683562.db2.gz JADAHBFBLCSVNH-MNOVXSKESA-N 0 0 182.263 2.073 10 30 AEEERN C[C@H]1CC=CC[C@H]1CC=O 238470428 573683583 /nfs/dbraw/zinc/68/35/83/573683583.db2.gz OVISGLGXVROIRW-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN N#CC[C@@H]1CCNc2ccc(O)cc21 259555935 573683604 /nfs/dbraw/zinc/68/36/04/573683604.db2.gz DONUDFJYEIXBEW-MRVPVSSYSA-N 0 0 188.230 2.205 10 30 AEEERN CN1Cc2ccc(C3(C#N)CC3)cc2C1 214946466 573684012 /nfs/dbraw/zinc/68/40/12/573684012.db2.gz FEBZFVCJBUFNCI-UHFFFAOYSA-N 0 0 198.269 2.187 10 30 AEEERN Cc1c(Cl)cccc1[C@H](C#N)C=O 238470679 573684015 /nfs/dbraw/zinc/68/40/15/573684015.db2.gz MOXXLKSUIXTYRE-MRVPVSSYSA-N 0 0 193.633 2.455 10 30 AEEERN C#C[C@H](C)[C@@H](O)/C(=C/C)[Si](C)(C)C 237988846 573684038 /nfs/dbraw/zinc/68/40/38/573684038.db2.gz VWVCRIHUPCNAGP-DJTJSURISA-N 0 0 196.366 2.440 10 30 AEEERN N#C[C@@H]1CC[C@@H](c2cccs2)N1 259555811 573684059 /nfs/dbraw/zinc/68/40/59/573684059.db2.gz DLGHZFPTKLAQCN-YUMQZZPRSA-N 0 0 178.260 2.065 10 30 AEEERN C[C@H](CC=O)c1cc2c([nH]1)CC=CC2 238470672 573684076 /nfs/dbraw/zinc/68/40/76/573684076.db2.gz XOLFIIYDHMHEKD-SECBINFHSA-N 0 0 189.258 2.362 10 30 AEEERN Cc1ccccc1NC(=S)C#N 238478012 573684089 /nfs/dbraw/zinc/68/40/89/573684089.db2.gz UPBLOJVVLIGNCG-UHFFFAOYSA-N 0 0 176.244 2.258 10 30 AEEERN C[C@H](Cn1ccnc1C#N)C1CCC1 306679181 573684115 /nfs/dbraw/zinc/68/41/15/573684115.db2.gz HIPBWUHRHIGCJE-SECBINFHSA-N 0 0 189.262 2.191 10 30 AEEERN C=C(C)C[C@@](C)(CC=O)C(C)=O 214948168 573684220 /nfs/dbraw/zinc/68/42/20/573684220.db2.gz WHHGBFCPMWGOEI-SNVBAGLBSA-N 0 0 168.236 2.137 10 30 AEEERN Cc1cc(CC#N)nc(C(F)F)c1O 238470829 573684233 /nfs/dbraw/zinc/68/42/33/573684233.db2.gz MCLNLPNCAYSVBI-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CC[C@]1(C)C=C[C@H](O)CC1 238470865 573684244 /nfs/dbraw/zinc/68/42/44/573684244.db2.gz ISESYQIBDUXKNH-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN COc1ccc2nccc(CC#N)c2c1 214932773 573684275 /nfs/dbraw/zinc/68/42/75/573684275.db2.gz VGMDOMOTJIIUON-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN CC(=O)C#CC1=CC[C@@H](C)CC1 238477927 573684293 /nfs/dbraw/zinc/68/42/93/573684293.db2.gz HYNTWDOFQXEVAF-SECBINFHSA-N 0 0 162.232 2.325 10 30 AEEERN C[C@]1(c2ccccc2O)OC1(F)F 238470526 573684297 /nfs/dbraw/zinc/68/42/97/573684297.db2.gz CJWMOTJDZAJRSW-MRVPVSSYSA-N 0 0 186.157 2.230 10 30 AEEERN C/C=C(/C)[C@@H]1[C@@H](C)[C@@]1(C)C=O 237980428 573684335 /nfs/dbraw/zinc/68/43/35/573684335.db2.gz VOPIQQVKBIVGKK-ZVXQYLQVSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H](CC=O)[C@]1(C)CCCCC1=O 238470294 573685333 /nfs/dbraw/zinc/68/53/33/573685333.db2.gz MPZUUHDHAWEVPQ-KOLCDFICSA-N 0 0 182.263 2.361 10 30 AEEERN C=CC[C@@]1(C)C=CCCC1=O 238470261 573684390 /nfs/dbraw/zinc/68/43/90/573684390.db2.gz KJHXHASMJCJEIP-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN Cc1cc(CC#N)cnc1C(F)F 238470441 573684657 /nfs/dbraw/zinc/68/46/57/573684657.db2.gz MJFNNRIQCQDVTR-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=CC(=O)C1=C[C@@H](C)CC1 238477955 573684737 /nfs/dbraw/zinc/68/47/37/573684737.db2.gz NCXAJTNGEGRDBR-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN C=CC(=O)C[C@H](/C=C\C)OCC 214948121 573684821 /nfs/dbraw/zinc/68/48/21/573684821.db2.gz MUPYYENKZDPYKE-VAWSOJLPSA-N 0 0 168.236 2.113 10 30 AEEERN COc1ccc(C2(C#N)CC2)cc1C#N 214932985 573684871 /nfs/dbraw/zinc/68/48/71/573684871.db2.gz GAWCBXZXVSYPJH-UHFFFAOYSA-N 0 0 198.225 2.122 10 30 AEEERN CC(=O)C1=C(C)O[C@@H](C)CC1 238478108 573684874 /nfs/dbraw/zinc/68/48/74/573684874.db2.gz LJYXEGXMBJNECD-LURJTMIESA-N 0 0 154.209 2.048 10 30 AEEERN Cc1cc(C)nc([C@@H](C#N)C(C)C)n1 259158714 573684887 /nfs/dbraw/zinc/68/48/87/573684887.db2.gz SIXJAMSSTQGURA-JTQLQIEISA-N 0 0 189.262 2.357 10 30 AEEERN N#CCc1ccnn1C1CCCCC1 257847227 573684917 /nfs/dbraw/zinc/68/49/17/573684917.db2.gz NXJPFOXSKACQMW-UHFFFAOYSA-N 0 0 189.262 2.454 10 30 AEEERN Cc1cn(C)c2c(CC=O)cccc12 258093319 573684962 /nfs/dbraw/zinc/68/49/62/573684962.db2.gz NNALHMBDZNJJGN-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN N#Cc1cc(C2(C#N)CCC2)ccc1O 214932914 573685065 /nfs/dbraw/zinc/68/50/65/573685065.db2.gz AEXFAUDVPYQNEF-UHFFFAOYSA-N 0 0 198.225 2.209 10 30 AEEERN COc1ccc(F)cc1[C@@H]1C[C@@H]1C#N 259158168 573685097 /nfs/dbraw/zinc/68/50/97/573685097.db2.gz NMWNMMYHEIKYEF-VXNVDRBHSA-N 0 0 191.205 2.461 10 30 AEEERN Cc1cc(CC#N)nc(C(F)F)c1 238470576 573685227 /nfs/dbraw/zinc/68/52/27/573685227.db2.gz IECKAVNTOWCAOL-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN Cn1cccc1[C@H](C#N)C1CC1 259555971 573685248 /nfs/dbraw/zinc/68/52/48/573685248.db2.gz HSNSZUVGWIKVLK-SECBINFHSA-N 0 0 160.220 2.042 10 30 AEEERN CC#CCCCCNc1ccnn1C 308669037 573685258 /nfs/dbraw/zinc/68/52/58/573685258.db2.gz UNYRBHJWNKYNMH-UHFFFAOYSA-N 0 0 191.278 2.026 10 30 AEEERN C/C=C/C#CC#C/C=C/C=C/CCO 237990767 573685269 /nfs/dbraw/zinc/68/52/69/573685269.db2.gz WNJWWOISVCHJLT-MMOYHAHMSA-N 0 0 186.254 2.064 10 30 AEEERN CO[C@@](C)(CC=O)c1ccccc1F 257847233 573685277 /nfs/dbraw/zinc/68/52/77/573685277.db2.gz NXSGXSYXOVOLNK-NSHDSACASA-N 0 0 196.221 2.276 10 30 AEEERN Cc1[nH]c2c(C)c(O)ccc2c1C#N 238479055 573687163 /nfs/dbraw/zinc/68/71/63/573687163.db2.gz UANCTLOGSPCQTJ-UHFFFAOYSA-N 0 0 186.214 2.362 10 30 AEEERN C#C[C@@H](C)[C@@H](O)/C(=C/C)[Si](C)(C)C 237988907 573687254 /nfs/dbraw/zinc/68/72/54/573687254.db2.gz VWVCRIHUPCNAGP-LFTXZHPPSA-N 0 0 196.366 2.440 10 30 AEEERN C/C=C(/C)[C@@H]1[C@H](C)[C@@]1(C)C=O 237980461 573687044 /nfs/dbraw/zinc/68/70/44/573687044.db2.gz VOPIQQVKBIVGKK-AFVCTLCTSA-N 0 0 152.237 2.424 10 30 AEEERN COc1c(F)ccc(C)c1CCC=O 258085586 573689604 /nfs/dbraw/zinc/68/96/04/573689604.db2.gz NNLHLIWOQILKOJ-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN N#C[C@H]1NCCc2c1oc1ccccc21 259556594 573688359 /nfs/dbraw/zinc/68/83/59/573688359.db2.gz DTVVQGMZEWIVEN-SNVBAGLBSA-N 0 0 198.225 2.143 10 30 AEEERN COc1ccc(F)cc1[C@H]1C[C@H]1C#N 259158160 573687971 /nfs/dbraw/zinc/68/79/71/573687971.db2.gz NMWNMMYHEIKYEF-CBAPKCEASA-N 0 0 191.205 2.461 10 30 AEEERN CC[C@@H]1CCC1=NNC[C@H]1C[C@H]1C 308417779 573687998 /nfs/dbraw/zinc/68/79/98/573687998.db2.gz NRIHHLJNEAXJPU-OPRDCNLKSA-N 0 0 180.295 2.408 10 30 AEEERN Cc1cc(C[C@H](C#N)C2(C)CC2)[nH]n1 259556479 573688001 /nfs/dbraw/zinc/68/80/01/573688001.db2.gz DRWHZPFIQBZLNF-SECBINFHSA-N 0 0 189.262 2.201 10 30 AEEERN Cc1cc(C[C@@H](C#N)C2(C)CC2)[nH]n1 259556483 573688422 /nfs/dbraw/zinc/68/84/22/573688422.db2.gz DRWHZPFIQBZLNF-VIFPVBQESA-N 0 0 189.262 2.201 10 30 AEEERN C=C[C@H](CC)OC(=O)/C=C/C1CC1 308421767 573688083 /nfs/dbraw/zinc/68/80/83/573688083.db2.gz OYVNQFCFRDLSIG-QROSGCPLSA-N 0 0 180.247 2.460 10 30 AEEERN C#C[C@@H](O)Cc1c(F)cccc1Cl 122053593 573688155 /nfs/dbraw/zinc/68/81/55/573688155.db2.gz XYTVDHSXYAJHIK-SSDOTTSWSA-N 0 0 198.624 2.016 10 30 AEEERN N#CCCCNc1cccs1 258879306 573688171 /nfs/dbraw/zinc/68/81/71/573688171.db2.gz HTDNRAUOYXJTNO-UHFFFAOYSA-N 0 0 166.249 2.464 10 30 AEEERN Cn1cccc1[C@@H](C#N)C1CC1 259555974 573689624 /nfs/dbraw/zinc/68/96/24/573689624.db2.gz HSNSZUVGWIKVLK-VIFPVBQESA-N 0 0 160.220 2.042 10 30 AEEERN O=C[C@@H]1CCOC2(CCCCC2)C1 86909531 573689627 /nfs/dbraw/zinc/68/96/27/573689627.db2.gz WYXAOLOCNXPGPQ-SNVBAGLBSA-N 0 0 182.263 2.315 10 30 AEEERN C[C@@]1(C(=O)c2ccccc2)C[C@H]1C=O 238478547 573688296 /nfs/dbraw/zinc/68/82/96/573688296.db2.gz ZRTDTJVXHGEZEE-CMPLNLGQSA-N 0 0 188.226 2.094 10 30 AEEERN C=C[C@]1(C)CCC[C@]1(C)CO 238479442 573688398 /nfs/dbraw/zinc/68/83/98/573688398.db2.gz RLURNJPOZDRONC-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN O=C[C@H]1CCOC2(CCCCC2)C1 86909534 573688479 /nfs/dbraw/zinc/68/84/79/573688479.db2.gz WYXAOLOCNXPGPQ-JTQLQIEISA-N 0 0 182.263 2.315 10 30 AEEERN CC[C@@H]1CCC1=NNC[C@@H]1C[C@H]1C 308417775 573688484 /nfs/dbraw/zinc/68/84/84/573688484.db2.gz NRIHHLJNEAXJPU-BBBLOLIVSA-N 0 0 180.295 2.408 10 30 AEEERN N#CCc1nccc2oc3[nH]ccc3c12 259556596 573688485 /nfs/dbraw/zinc/68/84/85/573688485.db2.gz DTYGJGFDGFGXQX-UHFFFAOYSA-N 0 0 197.197 2.375 10 30 AEEERN C=CC/C(=C/C)C[C@@H](C)O 237984061 573688534 /nfs/dbraw/zinc/68/85/34/573688534.db2.gz HOFGGGKZYIRKEU-CPJBWDMUSA-N 0 0 140.226 2.280 10 30 AEEERN C[C@H](C#N)c1ccn(-c2ccccc2)n1 259556634 573688567 /nfs/dbraw/zinc/68/85/67/573688567.db2.gz DUPIXKTWBBCXJP-SNVBAGLBSA-N 0 0 197.241 2.499 10 30 AEEERN CCCN(CC#N)C1CCSCC1 308421717 573688582 /nfs/dbraw/zinc/68/85/82/573688582.db2.gz OWZANJOTFHXGNQ-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN Cc1cc(C)nc([C@H](C#N)C(C)C)n1 259158720 573688710 /nfs/dbraw/zinc/68/87/10/573688710.db2.gz SIXJAMSSTQGURA-SNVBAGLBSA-N 0 0 189.262 2.357 10 30 AEEERN N#CC1(C[NH2+]CCC2CCC2)CCC1 258878319 573688648 /nfs/dbraw/zinc/68/86/48/573688648.db2.gz IUAQKSOLFDLGPU-UHFFFAOYSA-N 0 0 192.306 2.460 10 30 AEEERN CC[C@@H]1CCC1N=NC[C@@H]1C[C@@H]1C 308417774 573688680 /nfs/dbraw/zinc/68/86/80/573688680.db2.gz NRIHHLJNEAXJPU-AEJSXWLSSA-N 0 0 180.295 2.408 10 30 AEEERN CC[C@@H]1CCC1N=NC[C@H]1C[C@@H]1C 308417777 573688693 /nfs/dbraw/zinc/68/86/93/573688693.db2.gz NRIHHLJNEAXJPU-IVZWLZJFSA-N 0 0 180.295 2.408 10 30 AEEERN CC(C)c1noc2c1CC[C@H](C#N)C2 259556608 573688705 /nfs/dbraw/zinc/68/87/05/573688705.db2.gz DUFWRPXJSBLLLD-QMMMGPOBSA-N 0 0 190.246 2.426 10 30 AEEERN COc1ccc(F)cc1[C@@H]1C[C@H]1C#N 259158165 573688758 /nfs/dbraw/zinc/68/87/58/573688758.db2.gz NMWNMMYHEIKYEF-IONNQARKSA-N 0 0 191.205 2.461 10 30 AEEERN C/C=C/C#CC#C/C=C/C=C/[C@@H](C)O 237990406 573688816 /nfs/dbraw/zinc/68/88/16/573688816.db2.gz MNGKCBHZJMYXRY-PMBFJMRRSA-N 0 0 186.254 2.063 10 30 AEEERN C/C=C/C#CC#C/C=C/C=C/[C@H](C)O 237990439 573688843 /nfs/dbraw/zinc/68/88/43/573688843.db2.gz MNGKCBHZJMYXRY-SBXSOGRZSA-N 0 0 186.254 2.063 10 30 AEEERN C[C@@H](C#N)c1ccn(-c2ccccc2)n1 259556632 573688852 /nfs/dbraw/zinc/68/88/52/573688852.db2.gz DUPIXKTWBBCXJP-JTQLQIEISA-N 0 0 197.241 2.499 10 30 AEEERN C=C[C@@](C)(C(=C)C)[C@H](C)O 238478595 573688864 /nfs/dbraw/zinc/68/88/64/573688864.db2.gz YAXVFJFAVKHKRD-IUCAKERBSA-N 0 0 140.226 2.136 10 30 AEEERN CC1=CC(=O)C[C@@H](C)CC1 238479005 573688918 /nfs/dbraw/zinc/68/89/18/573688918.db2.gz LHIMWVBWXDIFPT-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H](O)C#Cc1cccc2occc12 238479596 573688941 /nfs/dbraw/zinc/68/89/41/573688941.db2.gz ZYMCDBLCLZZMSV-VIFPVBQESA-N 0 0 186.210 2.165 10 30 AEEERN N#Cc1cccc([C@H]2CC[C@H](O)C2)c1 209872663 573688942 /nfs/dbraw/zinc/68/89/42/573688942.db2.gz HJJGASHNGAYSTB-RYUDHWBXSA-N 0 0 187.242 2.187 10 30 AEEERN C[C@@H]1C[C@@]1(C)[C@H](C#N)N1CCCCC1 714730172 573689007 /nfs/dbraw/zinc/68/90/07/573689007.db2.gz NBAQOUICRDMVRS-GRYCIOLGSA-N 0 0 192.306 2.411 10 30 AEEERN C#CC[C@@H](O)/C(=C/C)[Si](C)(C)C 237988729 573689108 /nfs/dbraw/zinc/68/91/08/573689108.db2.gz QFQZQSXNQWEWEV-SBMLRHLQSA-N 0 0 182.339 2.194 10 30 AEEERN CC(C)c1noc2c1CC[C@@H](C#N)C2 259556605 573689122 /nfs/dbraw/zinc/68/91/22/573689122.db2.gz DUFWRPXJSBLLLD-MRVPVSSYSA-N 0 0 190.246 2.426 10 30 AEEERN C[C@@]1(C(=O)c2ccccc2)C[C@@H]1C=O 238478532 573689235 /nfs/dbraw/zinc/68/92/35/573689235.db2.gz ZRTDTJVXHGEZEE-ZYHUDNBSSA-N 0 0 188.226 2.094 10 30 AEEERN Cc1c(C#N)c(Cl)cc2c1OCO2 258093549 573689261 /nfs/dbraw/zinc/68/92/61/573689261.db2.gz OEOFTESMIUHOLG-UHFFFAOYSA-N 0 0 195.605 2.249 10 30 AEEERN C#C[C@@H](C)[C@H](O)/C(=C/C)[Si](C)(C)C 237988468 573689315 /nfs/dbraw/zinc/68/93/15/573689315.db2.gz VWVCRIHUPCNAGP-QTCFEDSUSA-N 0 0 196.366 2.440 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1cscn1 308422371 573689345 /nfs/dbraw/zinc/68/93/45/573689345.db2.gz PCYBLJMOLJPTCS-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC1=C(C)C(=O)[C@@H](C)CC1 238479129 573689501 /nfs/dbraw/zinc/68/95/01/573689501.db2.gz JDCRFXKWUSYDIE-ZETCQYMHSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@H](C#N)N1CCCCC1 714730176 573689601 /nfs/dbraw/zinc/68/96/01/573689601.db2.gz NBAQOUICRDMVRS-WOPDTQHZSA-N 0 0 192.306 2.411 10 30 AEEERN C[C@H](O)[C@](C)(C#N)Cc1ccccc1 238478709 573689727 /nfs/dbraw/zinc/68/97/27/573689727.db2.gz LGZRMYKPIVBDDI-JQWIXIFHSA-N 0 0 189.258 2.140 10 30 AEEERN C[C@@H]1C[C@]1(C)[C@H](O)C1(C#N)CCC1 714730163 573690053 /nfs/dbraw/zinc/69/00/53/573690053.db2.gz MYKQOZXWUGRSBP-UTLUCORTSA-N 0 0 179.263 2.087 10 30 AEEERN C#CCCC(=O)C1(O)CCCCCC1 236485012 573689799 /nfs/dbraw/zinc/68/97/99/573689799.db2.gz RUZBVQFXWMMPIL-UHFFFAOYSA-N 0 0 194.274 2.054 10 30 AEEERN C/C(=C/C=C/C#C[Si](C)(C)C)CO 238478786 573689807 /nfs/dbraw/zinc/68/98/07/573689807.db2.gz AZNODXYBTAGQCO-UJGQSPBESA-N 0 0 194.350 2.362 10 30 AEEERN C=C1CCCC[C@]1(C)CO 238479320 573689924 /nfs/dbraw/zinc/68/99/24/573689924.db2.gz UJBOYGBYBJHVGR-SECBINFHSA-N 0 0 140.226 2.115 10 30 AEEERN CCCCC[C@H](O)[C@]1(C)O[C@H]1C 214950228 573689976 /nfs/dbraw/zinc/68/99/76/573689976.db2.gz AWHCZUOFWVADJS-LPEHRKFASA-N 0 0 172.268 2.105 10 30 AEEERN Cc1cc(CN[C@@H](C)C#N)ccc1F 258883982 573690202 /nfs/dbraw/zinc/69/02/02/573690202.db2.gz VXBAKRWDZLBLJE-VIFPVBQESA-N 0 0 192.237 2.136 10 30 AEEERN Cc1cc(C#N)c(O)c2ncccc12 238478943 573690262 /nfs/dbraw/zinc/69/02/62/573690262.db2.gz IBAWNHMPLHTUPC-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN N#C[C@@H]1CCOC2(CCSCC2)C1 86903700 573690357 /nfs/dbraw/zinc/69/03/57/573690357.db2.gz VCYNQUBHRSEDGY-SECBINFHSA-N 0 0 197.303 2.202 10 30 AEEERN C=CCC(=O)C1(O)CCCCCC1 236484983 573690406 /nfs/dbraw/zinc/69/04/06/573690406.db2.gz SCHRHWFVWQWBRW-UHFFFAOYSA-N 0 0 182.263 2.217 10 30 AEEERN COc1cc(CC#N)c(O)c(C)c1C 258093582 573691193 /nfs/dbraw/zinc/69/11/93/573691193.db2.gz OFKQPWBPWGRTFQ-UHFFFAOYSA-N 0 0 191.230 2.084 10 30 AEEERN O=CCC[C@@H]1CCOC2(CCC2)C1 86915117 573691248 /nfs/dbraw/zinc/69/12/48/573691248.db2.gz UIMKXBYIZKNAFQ-SNVBAGLBSA-N 0 0 182.263 2.315 10 30 AEEERN Cc1cc(C#N)cc(OC(F)F)c1N 238479703 573691253 /nfs/dbraw/zinc/69/12/53/573691253.db2.gz IYPHBKXDLNROHO-UHFFFAOYSA-N 0 0 198.172 2.050 10 30 AEEERN CC(C)c1ccnc(CCC#N)n1 259161036 573691266 /nfs/dbraw/zinc/69/12/66/573691266.db2.gz SPBJPHDDPLTQSN-UHFFFAOYSA-N 0 0 175.235 2.056 10 30 AEEERN N#CCc1ccoc1-c1cnoc1 259556795 573691300 /nfs/dbraw/zinc/69/13/00/573691300.db2.gz CCZROTXRLJPQMU-UHFFFAOYSA-N 0 0 174.159 2.001 10 30 AEEERN C#CCN(CCC)C(=O)C(CC)CC 130735811 573691316 /nfs/dbraw/zinc/69/13/16/573691316.db2.gz MCXSIVMXLBURRC-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C=C(C)C[NH2+][C@@H](C)c1ccnc(C)n1 308677062 573691746 /nfs/dbraw/zinc/69/17/46/573691746.db2.gz WNZLMXOKLLANQR-VIFPVBQESA-N 0 0 191.278 2.012 10 30 AEEERN C=CC#C[C@H](O)C/C(C)=C\C=C 238479743 573691409 /nfs/dbraw/zinc/69/14/09/573691409.db2.gz OIOAKQCUUVYDQC-BRNRAETOSA-N 0 0 162.232 2.059 10 30 AEEERN C=CCN[C@@H](C)c1nc(C(C)C)no1 308678269 573691488 /nfs/dbraw/zinc/69/14/88/573691488.db2.gz WVVPQVXNLNGTCP-QMMMGPOBSA-N 0 0 195.266 2.030 10 30 AEEERN CCCN(CC#N)[C@@H]1CCCSC1 308418454 573691492 /nfs/dbraw/zinc/69/14/92/573691492.db2.gz NVGFIRRDULKZRX-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN C=C1CCCCC(=O)C1 238009420 573691521 /nfs/dbraw/zinc/69/15/21/573691521.db2.gz FAPALBWVDCWEJG-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN N#CC[C@@H]1CCO[C@H]2CCC[C@H]21 259556726 573691569 /nfs/dbraw/zinc/69/15/69/573691569.db2.gz CAXBSUAQOIARPW-UTLUCORTSA-N 0 0 165.236 2.105 10 30 AEEERN N#C[C@@H]1C[C@H]1C1CCCC1 259162723 573691605 /nfs/dbraw/zinc/69/16/05/573691605.db2.gz NUUQCKZXDPCKJC-IUCAKERBSA-N 0 0 135.210 2.336 10 30 AEEERN C#CCC1(O)C2CC3CC(C2)CC1C3 236479045 573691664 /nfs/dbraw/zinc/69/16/64/573691664.db2.gz QSHRQRDEJPFDRP-UHFFFAOYSA-N 0 0 190.286 2.197 10 30 AEEERN N#C[C@H]1C[C@H]1C1CCCC1 259162721 573691674 /nfs/dbraw/zinc/69/16/74/573691674.db2.gz NUUQCKZXDPCKJC-BDAKNGLRSA-N 0 0 135.210 2.336 10 30 AEEERN C[C@H](O)C#Cc1ccc2ccoc2c1 238479868 573691678 /nfs/dbraw/zinc/69/16/78/573691678.db2.gz XTNSQFZNCGAAOJ-VIFPVBQESA-N 0 0 186.210 2.165 10 30 AEEERN CN[C@@H](CC#N)c1ccc(C)cc1C 259161370 573692470 /nfs/dbraw/zinc/69/24/70/573692470.db2.gz CWIIBSWYHZHJEL-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN C[C@H]1CNc2c(C#N)cccc21 238479667 573692528 /nfs/dbraw/zinc/69/25/28/573692528.db2.gz XRRWPAGOWBANES-ZETCQYMHSA-N 0 0 158.204 2.087 10 30 AEEERN C=C(Cl)COc1cccnc1C=O 308418761 573694298 /nfs/dbraw/zinc/69/42/98/573694298.db2.gz RTVBUVDGQVYXEI-UHFFFAOYSA-N 0 0 197.621 2.025 10 30 AEEERN N#CCSc1ccc2c(c1)OCO2 259160867 573693759 /nfs/dbraw/zinc/69/37/59/573693759.db2.gz VMXHAXVRNPBFBE-UHFFFAOYSA-N 0 0 193.227 2.031 10 30 AEEERN Cc1ccc(O)c([C@H](C)CC=O)c1 258086545 573693862 /nfs/dbraw/zinc/69/38/62/573693862.db2.gz WIRQRSPKHNQBEV-SECBINFHSA-N 0 0 178.231 2.393 10 30 AEEERN Cc1ccc(O)c([C@@H](C)CC=O)c1 258086548 573694013 /nfs/dbraw/zinc/69/40/13/573694013.db2.gz WIRQRSPKHNQBEV-VIFPVBQESA-N 0 0 178.231 2.393 10 30 AEEERN Cc1ccc2cc([C@@H](N)C=O)ccc2c1 259558539 573693990 /nfs/dbraw/zinc/69/39/90/573693990.db2.gz XXDZCYPTHZJQIZ-ZDUSSCGKSA-N 0 0 199.253 2.347 10 30 AEEERN C=C[C@H](O)c1ccc(C)c(C)c1O 238480784 573694017 /nfs/dbraw/zinc/69/40/17/573694017.db2.gz BQQUPRZZUJJQEQ-JTQLQIEISA-N 0 0 178.231 2.228 10 30 AEEERN O=C1C=C2C=CSC[C@@H]2CC1 223256527 573694022 /nfs/dbraw/zinc/69/40/22/573694022.db2.gz PKHQJYLDOFULFV-QMMMGPOBSA-N 0 0 166.245 2.152 10 30 AEEERN Cc1cc(CN[C@H](C)C#N)ccc1F 258883980 573694034 /nfs/dbraw/zinc/69/40/34/573694034.db2.gz VXBAKRWDZLBLJE-SECBINFHSA-N 0 0 192.237 2.136 10 30 AEEERN Cc1cc(O)ccc1C1(C#N)CC1 238481957 573694050 /nfs/dbraw/zinc/69/40/50/573694050.db2.gz YCRUJDDXVSLTIJ-UHFFFAOYSA-N 0 0 173.215 2.256 10 30 AEEERN C#C[C@H](O)[C@H](CC)c1ccccc1 122094710 573694138 /nfs/dbraw/zinc/69/41/38/573694138.db2.gz JBTMONVESZXBIL-NEPJUHHUSA-N 0 0 174.243 2.174 10 30 AEEERN CCCN(CC#N)[C@H]1CCCSC1 308418451 573694233 /nfs/dbraw/zinc/69/42/33/573694233.db2.gz NVGFIRRDULKZRX-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN Cc1ccsc1CC1(C#N)COC1 259163884 573694357 /nfs/dbraw/zinc/69/43/57/573694357.db2.gz PAQJLVXIHVWCBC-UHFFFAOYSA-N 0 0 193.271 2.139 10 30 AEEERN C#CCCCCCOC(=O)C1CC1 393550968 573695217 /nfs/dbraw/zinc/69/52/17/573695217.db2.gz YLVBFUYFBHMGMT-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN CC1(C)CCN(C2CC2)C[C@@H]1C#N 259164071 573695317 /nfs/dbraw/zinc/69/53/17/573695317.db2.gz GGFXOFNLGSXDMV-VIFPVBQESA-N 0 0 178.279 2.020 10 30 AEEERN N#CC[C@@H]1CCO[C@@H]2CCC[C@H]12 259556725 573696072 /nfs/dbraw/zinc/69/60/72/573696072.db2.gz CAXBSUAQOIARPW-OPRDCNLKSA-N 0 0 165.236 2.105 10 30 AEEERN C/C=C/C#C[C@@H](O)c1ccccc1 237991179 573695593 /nfs/dbraw/zinc/69/55/93/573695593.db2.gz VRRMSQVGMMJPBB-QAVQXKDTSA-N 0 0 172.227 2.300 10 30 AEEERN CC[C@H]1CCCCC[C@H](C=O)O1 197460975 573695679 /nfs/dbraw/zinc/69/56/79/573695679.db2.gz TZOKNZUABXPSPT-VHSXEESVSA-N 0 0 170.252 2.313 10 30 AEEERN N#CC[C@@H]1CCO[C@H]2CCC[C@@H]21 259556722 573695699 /nfs/dbraw/zinc/69/56/99/573695699.db2.gz CAXBSUAQOIARPW-BBBLOLIVSA-N 0 0 165.236 2.105 10 30 AEEERN O=CCCc1ccc2[nH]ccc2c1 258088396 573695707 /nfs/dbraw/zinc/69/57/07/573695707.db2.gz WNNDDHGZZWWTGU-UHFFFAOYSA-N 0 0 173.215 2.299 10 30 AEEERN Cc1[nH]c2c(N)ccc(F)c2c1C#N 238481320 573695713 /nfs/dbraw/zinc/69/57/13/573695713.db2.gz ZYQWELVIZXMIDT-UHFFFAOYSA-N 0 0 189.193 2.069 10 30 AEEERN CC(C)[C@H](C#N)C(=O)c1ccccn1 259163777 573695835 /nfs/dbraw/zinc/69/58/35/573695835.db2.gz OZMXEQVWTZFFRK-VIFPVBQESA-N 0 0 188.230 2.060 10 30 AEEERN C#Cc1ccc(Br)nc1C 238481120 573695837 /nfs/dbraw/zinc/69/58/37/573695837.db2.gz AVBUCJZQVJUSQY-UHFFFAOYSA-N 0 0 196.047 2.134 10 30 AEEERN C#C[C@H](O)c1ccc(Cl)cc1OC 122083351 573695875 /nfs/dbraw/zinc/69/58/75/573695875.db2.gz CUYYQKRVDUFDOA-VIFPVBQESA-N 0 0 196.633 2.015 10 30 AEEERN C[C@H]1Cc2cc(C#N)cc(F)c2O1 238481230 573695919 /nfs/dbraw/zinc/69/59/19/573695919.db2.gz NUXUIKOHYJTZLL-LURJTMIESA-N 0 0 177.178 2.021 10 30 AEEERN C[Si](C)(C)C[C@H]1C[C@@H]1C=O 197469217 573695921 /nfs/dbraw/zinc/69/59/21/573695921.db2.gz UDZXGIWMVOMKTF-HTQZYQBOSA-N 0 0 156.301 2.160 10 30 AEEERN Cc1[nH]c2c(N)cc(F)cc2c1C#N 238481224 573695960 /nfs/dbraw/zinc/69/59/60/573695960.db2.gz PBQSGMDQMREQAE-UHFFFAOYSA-N 0 0 189.193 2.069 10 30 AEEERN COc1c(O)ccc(Cl)c1CC#N 258088126 573696039 /nfs/dbraw/zinc/69/60/39/573696039.db2.gz NUCDGIYYQZWXCF-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN Cc1cc(C#N)cc2sncc12 238481741 573696046 /nfs/dbraw/zinc/69/60/46/573696046.db2.gz GWWWSXCJIVGFPO-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN C=CCNC(C)=NC(=O)OC(C)(C)C 238482321 573700498 /nfs/dbraw/zinc/70/04/98/573700498.db2.gz TVMHEXBLHKMTDF-UHFFFAOYSA-N 0 0 198.266 2.116 10 30 AEEERN CCC(=O)C=C1CCCC1 197472613 573699550 /nfs/dbraw/zinc/69/95/50/573699550.db2.gz JYSYNPZXQVSEMR-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN C#CC1(c2ccc[nH]2)CCCC1 237999089 573700830 /nfs/dbraw/zinc/70/08/30/573700830.db2.gz OOGZKNONNLRUSN-UHFFFAOYSA-N 0 0 159.232 2.460 10 30 AEEERN Cc1[nH]c2cc(N)c(F)cc2c1C#N 238483200 573700796 /nfs/dbraw/zinc/70/07/96/573700796.db2.gz QLERNDGWWPEJJU-UHFFFAOYSA-N 0 0 189.193 2.069 10 30 AEEERN CCCC(=O)C(=O)c1ccc(C)cc1 237995290 573700848 /nfs/dbraw/zinc/70/08/48/573700848.db2.gz PYWXEEPEFUGHLH-AAOUONPWSA-N 0 0 190.242 2.174 10 30 AEEERN Cc1ccccc1-c1cc(C#N)n[nH]1 259168730 573699245 /nfs/dbraw/zinc/69/92/45/573699245.db2.gz GQIDIBDTTMKTLL-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C=C[C@]1(C)CCCC[C@H]1O 238482791 573699339 /nfs/dbraw/zinc/69/93/39/573699339.db2.gz QBXDKYBXRDLVFN-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN Cc1nc(C#N)c(C(F)F)cc1C=O 238482157 573699396 /nfs/dbraw/zinc/69/93/96/573699396.db2.gz CENQTBMWUKUQEQ-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN Cc1ncc(O)c(C(F)F)c1CC#N 238483202 573699427 /nfs/dbraw/zinc/69/94/27/573699427.db2.gz HRCZIVSDRKCAEO-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CCOC1=CCC[C@H](C)C1=O 238482261 573699514 /nfs/dbraw/zinc/69/95/14/573699514.db2.gz DNGAGBMQWXRHQZ-QMMMGPOBSA-N 0 0 166.220 2.072 10 30 AEEERN CC(C)[C@]1(C=O)SC[C@@H](C)S1 197475384 573699545 /nfs/dbraw/zinc/69/95/45/573699545.db2.gz KQMVBHWHXFVCPL-HTQZYQBOSA-N 0 0 190.333 2.406 10 30 AEEERN CCCC(=O)C(=O)c1ccc(C)cc1 237994992 573699563 /nfs/dbraw/zinc/69/95/63/573699563.db2.gz PYWXEEPEFUGHLH-PCAWENJQSA-N 0 0 190.242 2.174 10 30 AEEERN Cc1cc(C)c(N)c(C2(C#N)CC2)c1 238482376 573699568 /nfs/dbraw/zinc/69/95/68/573699568.db2.gz AQEPYVUJHXHPQZ-UHFFFAOYSA-N 0 0 186.258 2.441 10 30 AEEERN CC[C@H]1CCCCC[C@@H](C=O)O1 197460994 573699575 /nfs/dbraw/zinc/69/95/75/573699575.db2.gz TZOKNZUABXPSPT-UWVGGRQHSA-N 0 0 170.252 2.313 10 30 AEEERN C=C[C@H](O)/C=C/C=C/C=C/C 238000865 573699634 /nfs/dbraw/zinc/69/96/34/573699634.db2.gz UIGIUGMAQZJWPT-GKFASMNFSA-N 0 0 150.221 2.222 10 30 AEEERN O[C@H](CCS)c1cccc(F)c1 259167886 573699747 /nfs/dbraw/zinc/69/97/47/573699747.db2.gz OAFQBTASHRLHEG-SECBINFHSA-N 0 0 186.251 2.179 10 30 AEEERN C[C@H]1CCCC(=O)C2=C1CCC2=O 197473726 573699780 /nfs/dbraw/zinc/69/97/80/573699780.db2.gz OFDIZCMUQKNQRJ-ZETCQYMHSA-N 0 0 178.231 2.035 10 30 AEEERN CC1=C2C[C@H](C)C[C@H](O)[C@@H]2CCC1=O 238482998 573699890 /nfs/dbraw/zinc/69/98/90/573699890.db2.gz XYCJPTOHJQGXRF-VMAXQDLPSA-N 0 0 194.274 2.073 10 30 AEEERN C[C@](F)(C#N)C(=O)c1ccccc1 238482702 573699955 /nfs/dbraw/zinc/69/99/55/573699955.db2.gz HDPLKVUYKHPAQE-JTQLQIEISA-N 0 0 177.178 2.121 10 30 AEEERN C=CCOC(=O)N(C)C1CCCC1 308425078 573700908 /nfs/dbraw/zinc/70/09/08/573700908.db2.gz QOYLKIGPOKYHKD-UHFFFAOYSA-N 0 0 183.251 2.183 10 30 AEEERN C/C(=N/O)Nc1ccc(C)cc1 238482663 573700214 /nfs/dbraw/zinc/70/02/14/573700214.db2.gz RADXVJMCWNRZQK-UHFFFAOYSA-N 0 0 164.208 2.215 10 30 AEEERN C#CCC[C@H](O)c1ccc(Cl)o1 236524031 573700323 /nfs/dbraw/zinc/70/03/23/573700323.db2.gz XANMEBUIEFAECY-ZETCQYMHSA-N 0 0 184.622 2.380 10 30 AEEERN C[C@@H]1C=C[C@H](CC=O)CC1 238482539 573700352 /nfs/dbraw/zinc/70/03/52/573700352.db2.gz KMAQKAXQIZJXSM-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1cc2cc(N)sc2cc1O 306687674 573700445 /nfs/dbraw/zinc/70/04/45/573700445.db2.gz LTANGVLKCMBFCM-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C#C[C@H](CC)[C@@H](O)Cc1ccccc1 238313921 573700552 /nfs/dbraw/zinc/70/05/52/573700552.db2.gz QGEIMRIJEYMWHR-OLZOCXBDSA-N 0 0 188.270 2.249 10 30 AEEERN Cc1nc(C#N)c(F)cc1C(F)F 238482759 573700569 /nfs/dbraw/zinc/70/05/69/573700569.db2.gz XGJDVTODJRFZHR-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C#CC(/C=C/C)=C1\CCCC[C@@H]1O 237995677 573700618 /nfs/dbraw/zinc/70/06/18/573700618.db2.gz VBNUQHGTUPNMIQ-YPZLJBCESA-N 0 0 176.259 2.427 10 30 AEEERN C=CCCCc1c2c(nn1C)CCC2 686058549 573701442 /nfs/dbraw/zinc/70/14/42/573701442.db2.gz FIUGGSLWAPJKBC-UHFFFAOYSA-N 0 0 190.290 2.418 10 30 AEEERN N#C[C@H]1CCC[C@@H](c2cccs2)N1 259558314 573700979 /nfs/dbraw/zinc/70/09/79/573700979.db2.gz DXPDIBGRGCMTES-BDAKNGLRSA-N 0 0 192.287 2.455 10 30 AEEERN N#CCC[C@H]1CCc2cnoc2C1 259558430 573700988 /nfs/dbraw/zinc/70/09/88/573700988.db2.gz CEQUNRZPKHUQTF-QMMMGPOBSA-N 0 0 176.219 2.083 10 30 AEEERN CC(C)(C)C1(CCC#N)COC1 259165982 573700992 /nfs/dbraw/zinc/70/09/92/573700992.db2.gz JBSJVOPEIJFSBT-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN C=C[C@@H](O)/C=C/C=C/C=C/C 238000990 573701035 /nfs/dbraw/zinc/70/10/35/573701035.db2.gz UIGIUGMAQZJWPT-UHRAKUQVSA-N 0 0 150.221 2.222 10 30 AEEERN N#Cc1cc(-c2cccc(F)c2)[nH]n1 259168640 573701052 /nfs/dbraw/zinc/70/10/52/573701052.db2.gz GPPKDMSXQMIKJP-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN CC(C)[C@H](C#N)C(=O)N(C)C(C)(C)C 258885900 573701060 /nfs/dbraw/zinc/70/10/60/573701060.db2.gz YFQCMIJWDFEBGB-VIFPVBQESA-N 0 0 196.294 2.039 10 30 AEEERN CC1(C)C[C@@](Cl)(C#N)C(C)(C)O1 86928395 573701130 /nfs/dbraw/zinc/70/11/30/573701130.db2.gz QJHAQSRBDKFGQI-SECBINFHSA-N 0 0 187.670 2.465 10 30 AEEERN Cc1ccc(C#N)c([C@@H](C)[C@H](C)O)c1 238483226 573701138 /nfs/dbraw/zinc/70/11/38/573701138.db2.gz UJBXDBXKVISCFL-UWVGGRQHSA-N 0 0 189.258 2.351 10 30 AEEERN C#C[C@H](O)c1cccc(F)c1Cl 122112119 573701148 /nfs/dbraw/zinc/70/11/48/573701148.db2.gz XEMFFWAPBSSCTN-QMMMGPOBSA-N 0 0 184.597 2.146 10 30 AEEERN CC(C)(C)C#C[C@H](O)c1ccccn1 118275842 573701202 /nfs/dbraw/zinc/70/12/02/573701202.db2.gz VGHPKOZYUBZGIO-NSHDSACASA-N 0 0 189.258 2.165 10 30 AEEERN N#C[C@@H]1CCC[C@H](c2cccs2)N1 259558315 573701295 /nfs/dbraw/zinc/70/12/95/573701295.db2.gz DXPDIBGRGCMTES-DTWKUNHWSA-N 0 0 192.287 2.455 10 30 AEEERN CC(C)(C)C#C[C@@H](O)c1ccccn1 118275840 573701354 /nfs/dbraw/zinc/70/13/54/573701354.db2.gz VGHPKOZYUBZGIO-LLVKDONJSA-N 0 0 189.258 2.165 10 30 AEEERN C#C[C@H](O)c1cc2c(s1)CCCC2 122100421 573701407 /nfs/dbraw/zinc/70/14/07/573701407.db2.gz NUPSRHKLYVXJBP-VIFPVBQESA-N 0 0 192.283 2.294 10 30 AEEERN N#CCc1cnc([C@@H]2CCCO2)s1 82416825 573701486 /nfs/dbraw/zinc/70/14/86/573701486.db2.gz ICUOYVVUPIDARR-QMMMGPOBSA-N 0 0 194.259 2.061 10 30 AEEERN C#CC1(c2ccncc2)CCC1 237999426 573701577 /nfs/dbraw/zinc/70/15/77/573701577.db2.gz VUWCGJNDGSMURX-UHFFFAOYSA-N 0 0 157.216 2.137 10 30 AEEERN Cn1cc(CS)c2cccc(N)c21 257848460 573701583 /nfs/dbraw/zinc/70/15/83/573701583.db2.gz AWQPDXYXBSJVEP-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN C=C[C@]1(C)C(=O)Nc2ccccc21 238482827 573701614 /nfs/dbraw/zinc/70/16/14/573701614.db2.gz YFHDCHCULHVJOM-NSHDSACASA-N 0 0 173.215 2.082 10 30 AEEERN C#C[C@@H](O)c1ccc(SC)cc1 118270623 573701666 /nfs/dbraw/zinc/70/16/66/573701666.db2.gz ZLRULBXVPQOHSJ-SNVBAGLBSA-N 0 0 178.256 2.075 10 30 AEEERN C/C=C\c1cccc(C#N)c1N 39135348 573701730 /nfs/dbraw/zinc/70/17/30/573701730.db2.gz WDLULBVOCYXQAH-RQOWECAXSA-N 0 0 158.204 2.174 10 30 AEEERN C/C=C/C(=O)[C@H](O)C1CCCCC1 237995223 573701777 /nfs/dbraw/zinc/70/17/77/573701777.db2.gz BSYXEYIEUYIZJY-SZHMKSFOSA-N 0 0 182.263 2.073 10 30 AEEERN Cc1nc(C#N)c(C(F)F)cc1F 238482323 573701820 /nfs/dbraw/zinc/70/18/20/573701820.db2.gz WLQRIGIILXDTIV-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC(C)[C@@H](C#N)c1nccs1 259558235 573701872 /nfs/dbraw/zinc/70/18/72/573701872.db2.gz SBKFBZWGCGRMLL-SSDOTTSWSA-N 0 0 166.249 2.406 10 30 AEEERN C#CCC[C@H](O)c1ncccc1Cl 236524246 573701876 /nfs/dbraw/zinc/70/18/76/573701876.db2.gz MLOOBSKLZHXRNU-VIFPVBQESA-N 0 0 195.649 2.182 10 30 AEEERN Cc1nc(C#N)c(C=O)cc1C(F)F 238482533 573701908 /nfs/dbraw/zinc/70/19/08/573701908.db2.gz JFOSMIIDPZMDRF-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN N#C[C@H]1CCC[C@H](c2cccs2)N1 259558318 573702014 /nfs/dbraw/zinc/70/20/14/573702014.db2.gz DXPDIBGRGCMTES-RKDXNWHRSA-N 0 0 192.287 2.455 10 30 AEEERN C[C@H]1CCC=C[C@@H]1CC=O 238483006 573702027 /nfs/dbraw/zinc/70/20/27/573702027.db2.gz BQBRYTNIZCYYAQ-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@]1(C)Cc2cc(O)ccc2O1 238483142 573702056 /nfs/dbraw/zinc/70/20/56/573702056.db2.gz PICVAAGHKKWYRS-LLVKDONJSA-N 0 0 176.215 2.272 10 30 AEEERN C[C@H]1CCC=C(Cl)C1=O 238482180 573702079 /nfs/dbraw/zinc/70/20/79/573702079.db2.gz TWYVESDJSMCLEM-YFKPBYRVSA-N 0 0 144.601 2.108 10 30 AEEERN C=CC(=O)c1ccsc1 83943769 573702156 /nfs/dbraw/zinc/70/21/56/573702156.db2.gz WNCFOCZPFPWLPA-UHFFFAOYSA-N 0 0 138.191 2.117 10 30 AEEERN C/C(=N/O)Nc1cccc(F)c1 238482764 573702162 /nfs/dbraw/zinc/70/21/62/573702162.db2.gz VOGLPUUFNURRKV-UHFFFAOYSA-N 0 0 168.171 2.045 10 30 AEEERN C=CC(=O)[C@H]1CCOc2ccccc21 83944604 573702250 /nfs/dbraw/zinc/70/22/50/573702250.db2.gz HNLHNSWYRWFEHD-VIFPVBQESA-N 0 0 188.226 2.308 10 30 AEEERN Cc1ncc(O)c(CC#N)c1C(F)F 238483715 573703527 /nfs/dbraw/zinc/70/35/27/573703527.db2.gz NWODDHYYAXTFMG-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN SCCc1nc2ccccc2o1 259176473 573703158 /nfs/dbraw/zinc/70/31/58/573703158.db2.gz LJPBZPMVYQHFAE-UHFFFAOYSA-N 0 0 179.244 2.300 10 30 AEEERN N#C[C@H]1CCCCN1CCC1CC1 83926693 573703254 /nfs/dbraw/zinc/70/32/54/573703254.db2.gz WABWKHRVGZXZOL-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN C=CC(=O)[C@H]1CCc2ccccc21 83944632 573703319 /nfs/dbraw/zinc/70/33/19/573703319.db2.gz JQAPEXFGJZTLRP-NSHDSACASA-N 0 0 172.227 2.472 10 30 AEEERN N#CCc1ccoc1-c1cc[nH]c1 259558523 573703321 /nfs/dbraw/zinc/70/33/21/573703321.db2.gz CGZKJSMALFYBAW-UHFFFAOYSA-N 0 0 172.187 2.341 10 30 AEEERN C[C@@]1(C=O)CCCC[C@H]1F 238483886 573703391 /nfs/dbraw/zinc/70/33/91/573703391.db2.gz HDOUWBVEIOPXQC-SFYZADRCSA-N 0 0 144.189 2.104 10 30 AEEERN N#C[C@@H]1CCCCN1CCC1CC1 83926692 573703433 /nfs/dbraw/zinc/70/34/33/573703433.db2.gz WABWKHRVGZXZOL-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN C=CC[C@H](O)c1ncccc1Cl 236522759 573703456 /nfs/dbraw/zinc/70/34/56/573703456.db2.gz GRYAJMZUTAGULX-QMMMGPOBSA-N 0 0 183.638 2.345 10 30 AEEERN C=CC(=O)C1Cc2ccccc2C1 83944626 573705375 /nfs/dbraw/zinc/70/53/75/573705375.db2.gz IINAIYOXHYNZKO-UHFFFAOYSA-N 0 0 172.227 2.157 10 30 AEEERN C[C@@]1(C=O)C[C@@H]([Si](C)(C)C)CC1=O 238484157 573704388 /nfs/dbraw/zinc/70/43/88/573704388.db2.gz RFVVPTIRISZZPH-WPRPVWTQSA-N 0 0 198.338 2.263 10 30 AEEERN Cc1nc(C#N)cc(C(F)F)c1F 238483512 573704396 /nfs/dbraw/zinc/70/43/96/573704396.db2.gz LLLSJGSQVHCNRB-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C[C@@]1(C=O)CSc2ccccc21 238483946 573704402 /nfs/dbraw/zinc/70/44/02/573704402.db2.gz DJNBDSBGWAMXNS-SNVBAGLBSA-N 0 0 178.256 2.249 10 30 AEEERN CC1=C[C@@H](C)CCCC1=O 238483435 573704450 /nfs/dbraw/zinc/70/44/50/573704450.db2.gz UBMWZFRVBKIEEG-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN O=C(C1=CCCCCC1)[C@@H](O)C1CC1 236519508 573704453 /nfs/dbraw/zinc/70/44/53/573704453.db2.gz KRHCTGFNFKGEAN-LBPRGKRZSA-N 0 0 194.274 2.217 10 30 AEEERN C=C1CCCC[C@@]1(C)C=O 238483797 573704467 /nfs/dbraw/zinc/70/44/67/573704467.db2.gz SAIQEOROBQCGJN-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@]1(C=O)COc2ccc(Cl)cc21 238483925 573704521 /nfs/dbraw/zinc/70/45/21/573704521.db2.gz UDRCOESDIZVVFT-SNVBAGLBSA-N 0 0 196.633 2.189 10 30 AEEERN C=C1C[C@@]23CCC[C@@]12CCC3=O 238014873 573704543 /nfs/dbraw/zinc/70/45/43/573704543.db2.gz IQLBUHPRTGIWGQ-GHMZBOCLSA-N 0 0 162.232 2.466 10 30 AEEERN C=CC(=O)[C@@H]1Cc2ccccc21 83944328 573704546 /nfs/dbraw/zinc/70/45/46/573704546.db2.gz WIHVMTVNHVKPBD-SNVBAGLBSA-N 0 0 158.200 2.081 10 30 AEEERN C=CC(=O)CSC(C)(C)C 83944361 573704548 /nfs/dbraw/zinc/70/45/48/573704548.db2.gz WTLCJEYUMOMEFG-UHFFFAOYSA-N 0 0 158.266 2.273 10 30 AEEERN CC(C)CN[C@@]1(C#N)CS[C@H](C)C1 86937098 573704549 /nfs/dbraw/zinc/70/45/49/573704549.db2.gz ONBCECAEBCQJRL-ZJUUUORDSA-N 0 0 198.335 2.020 10 30 AEEERN Cc1[nH]c(-c2ccoc2C)nc1C#N 259558876 573704576 /nfs/dbraw/zinc/70/45/76/573704576.db2.gz WRBMAUTVYNAJEM-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN Cc1cc(C)c(NC[C@H]2CO2)c(C)c1 238483623 573704584 /nfs/dbraw/zinc/70/45/84/573704584.db2.gz OHBUKVMGZFJUPO-NSHDSACASA-N 0 0 191.274 2.423 10 30 AEEERN Cc1cccc2c1N(CCC#N)CC2 108241922 573704664 /nfs/dbraw/zinc/70/46/64/573704664.db2.gz AYCPIICPQSMQQL-UHFFFAOYSA-N 0 0 186.258 2.271 10 30 AEEERN Cc1cccc2ccc([C@H](N)C#N)nc12 259558788 573704846 /nfs/dbraw/zinc/70/48/46/573704846.db2.gz IDOHWVNBTWOGHX-SNVBAGLBSA-N 0 0 197.241 2.067 10 30 AEEERN CN(C)/C=C\C(=O)c1cccc(F)c1 12340111 573704868 /nfs/dbraw/zinc/70/48/68/573704868.db2.gz MJEQZIDZSNCFKG-SREVYHEPSA-N 0 0 193.221 2.084 10 30 AEEERN C[C@H]1OCCC[C@H]1CCC#N 259558727 573704869 /nfs/dbraw/zinc/70/48/69/573704869.db2.gz ICLTVJFDJYUDJC-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H]1CCCC(=O)[C@@H](C#N)CC1 238483707 573704972 /nfs/dbraw/zinc/70/49/72/573704972.db2.gz RGMPMGKMSXEOQX-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN C=C[C@@H]([C@H](C)O)[Si](C)(C)C 238483603 573704984 /nfs/dbraw/zinc/70/49/84/573704984.db2.gz IOOQWZLTQNRTRG-YUMQZZPRSA-N 0 0 158.317 2.262 10 30 AEEERN C[C@@H]1OCc2cccc(CC#N)c21 259560148 573705032 /nfs/dbraw/zinc/70/50/32/573705032.db2.gz CILIVUYANXUJED-QMMMGPOBSA-N 0 0 173.215 2.344 10 30 AEEERN C=C[C@@H]([C@H](C)O)C(C)(C)C 238483526 573705033 /nfs/dbraw/zinc/70/50/33/573705033.db2.gz ABEFSRMUCYCEDC-YUMQZZPRSA-N 0 0 142.242 2.216 10 30 AEEERN C=C1[C@@H](CC=O)COC12CCCCC2 238017561 573705043 /nfs/dbraw/zinc/70/50/43/573705043.db2.gz YENXJDUMKAQSIJ-NSHDSACASA-N 0 0 194.274 2.481 10 30 AEEERN C=C1c2ccccc2C[C@@]1(C)C=O 238484111 573705144 /nfs/dbraw/zinc/70/51/44/573705144.db2.gz DDWCOOGVZSAYOC-LBPRGKRZSA-N 0 0 172.227 2.461 10 30 AEEERN N#C[C@H]1CCc2cc(F)ccc2OC1 259618449 573705161 /nfs/dbraw/zinc/70/51/61/573705161.db2.gz HEFVKGHADGEVMP-MRVPVSSYSA-N 0 0 191.205 2.290 10 30 AEEERN CC[C@H](C)N[C@@]1(C#N)CS[C@@H](C)C1 86937215 573705173 /nfs/dbraw/zinc/70/51/73/573705173.db2.gz YXUKFLAZNJQUJB-GUBZILKMSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@@]1(C=O)CCCC[C@@H]1F 238483841 573705221 /nfs/dbraw/zinc/70/52/21/573705221.db2.gz HDOUWBVEIOPXQC-YUMQZZPRSA-N 0 0 144.189 2.104 10 30 AEEERN C[C@H]1CCCC(=O)[C@@H]1CCC#N 238483834 573705239 /nfs/dbraw/zinc/70/52/39/573705239.db2.gz QTZYNXFFXHBKAT-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)CN[C@@]1(C#N)CS[C@@H](C)C1 86937099 573705257 /nfs/dbraw/zinc/70/52/57/573705257.db2.gz ONBCECAEBCQJRL-UWVGGRQHSA-N 0 0 198.335 2.020 10 30 AEEERN C=C1C[C@H]2CC[C@@H]1CCC2=O 238015816 573705277 /nfs/dbraw/zinc/70/52/77/573705277.db2.gz UJHRKAQNVYGLSC-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(=O)[C@H]1Cc2ccccc21 83944330 573705441 /nfs/dbraw/zinc/70/54/41/573705441.db2.gz WIHVMTVNHVKPBD-JTQLQIEISA-N 0 0 158.200 2.081 10 30 AEEERN Oc1cc(Cl)ccc1CS 258100514 573705447 /nfs/dbraw/zinc/70/54/47/573705447.db2.gz KLVKAUBSGLLDND-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN C[C@@H]1OCCC[C@H]1CCC#N 259558723 573705537 /nfs/dbraw/zinc/70/55/37/573705537.db2.gz ICLTVJFDJYUDJC-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN C=CC(=O)CSCC(C)C 83944370 573705561 /nfs/dbraw/zinc/70/55/61/573705561.db2.gz MILSUFJAESVPMM-UHFFFAOYSA-N 0 0 158.266 2.131 10 30 AEEERN Cc1cccc2ccc([C@@H](N)C#N)nc12 259558786 573705594 /nfs/dbraw/zinc/70/55/94/573705594.db2.gz IDOHWVNBTWOGHX-JTQLQIEISA-N 0 0 197.241 2.067 10 30 AEEERN C=C1Cc2c1c1ccccc1[nH]c2=O 238016953 573705627 /nfs/dbraw/zinc/70/56/27/573705627.db2.gz XWSQTCVZFNOGDW-UHFFFAOYSA-N 0 0 183.210 2.097 10 30 AEEERN C=C1C[C@H](C#N)[C@@H]2C(=O)CCC[C@@H]12 238015097 573705666 /nfs/dbraw/zinc/70/56/66/573705666.db2.gz INYTWZPDWGGPJR-YWVKMMECSA-N 0 0 175.231 2.071 10 30 AEEERN O=C1C=C(Cc2ccccn2)CCC1 83951944 573709927 /nfs/dbraw/zinc/70/99/27/573709927.db2.gz OGEQVCWERFNKDI-UHFFFAOYSA-N 0 0 187.242 2.304 10 30 AEEERN C[C@H](O)C#CC1=C[C@@H](C)SC[C@@H]1C 238477208 573707979 /nfs/dbraw/zinc/70/79/79/573707979.db2.gz ODLXMHIICBIMDK-LPEHRKFASA-N 0 0 196.315 2.068 10 30 AEEERN C#CCC[C@@H](O)c1ccoc1Cl 236536791 573707296 /nfs/dbraw/zinc/70/72/96/573707296.db2.gz OZEPSGQREFPMAX-MRVPVSSYSA-N 0 0 184.622 2.380 10 30 AEEERN CC[C@H](C)N[C@]1(C#N)CS[C@@H](C)C1 86937217 573707490 /nfs/dbraw/zinc/70/74/90/573707490.db2.gz YXUKFLAZNJQUJB-LPEHRKFASA-N 0 0 198.335 2.162 10 30 AEEERN C[C@H]1OCCC[C@@H]1CCC#N 259558722 573707509 /nfs/dbraw/zinc/70/75/09/573707509.db2.gz ICLTVJFDJYUDJC-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN C/C(=C\C#C[Si](C)(C)C)CCO 238477473 573707737 /nfs/dbraw/zinc/70/77/37/573707737.db2.gz OMCAQUZUCLYAFE-UXBLZVDNSA-N 0 0 182.339 2.196 10 30 AEEERN CC(C)CN[C@]1(C#N)CS[C@H](C)C1 86937100 573707739 /nfs/dbraw/zinc/70/77/39/573707739.db2.gz ONBCECAEBCQJRL-NXEZZACHSA-N 0 0 198.335 2.020 10 30 AEEERN C[C@H](O)C#CCC1CCCCC1 238477460 573707803 /nfs/dbraw/zinc/70/78/03/573707803.db2.gz XKYLSQZXFCFFJI-JTQLQIEISA-N 0 0 166.264 2.341 10 30 AEEERN CC(=O)[C@@H]1CC[C@H](C)C[C@@H]1C#N 238477421 573707819 /nfs/dbraw/zinc/70/78/19/573707819.db2.gz OODWVDBILIRTBS-SFGNSQDASA-N 0 0 165.236 2.151 10 30 AEEERN N#Cc1c(O)cc2ccsc2c1N 306687557 573707837 /nfs/dbraw/zinc/70/78/37/573707837.db2.gz LQFGKUAHHSZTDE-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC[C@H](C)C[C@@]1(C=O)O[C@@H]1CC 238317563 573707896 /nfs/dbraw/zinc/70/78/96/573707896.db2.gz IBVUXTUISOOPOW-AEJSXWLSSA-N 0 0 170.252 2.169 10 30 AEEERN Cc1cncc(-c2noc(C#N)c2C)c1 259561480 573708136 /nfs/dbraw/zinc/70/81/36/573708136.db2.gz WYUYZYGJDJNRHK-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN CC[C@H](C)c1ccc(/C(N)=N/O)cc1 75848413 573708159 /nfs/dbraw/zinc/70/81/59/573708159.db2.gz BSIVJMWDLMQXJR-QMMMGPOBSA-N 0 0 192.262 2.295 10 30 AEEERN C[C@H](O)C#CCCCc1ccccc1 238477620 573708232 /nfs/dbraw/zinc/70/82/32/573708232.db2.gz YBOQBAGQWWZSLA-LBPRGKRZSA-N 0 0 188.270 2.394 10 30 AEEERN Cc1cc(C#N)c(C(F)F)cn1 238477217 573708298 /nfs/dbraw/zinc/70/82/98/573708298.db2.gz YOHYHSQMFYIBBW-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C/C(C#CC(C)(C)C)=C/[C@@H](C)O 238477160 573708303 /nfs/dbraw/zinc/70/83/03/573708303.db2.gz JXGWYGIJTUBWEX-HSTULFTRSA-N 0 0 166.264 2.363 10 30 AEEERN C=CC[C@@]1(C=O)C[C@@H](C)CCC1=O 238477505 573708355 /nfs/dbraw/zinc/70/83/55/573708355.db2.gz FULVGIFSTJFSSO-ONGXEEELSA-N 0 0 180.247 2.137 10 30 AEEERN N#C[C@@H]1C[C@H]2CCS[C@H]2C1 259559976 573708466 /nfs/dbraw/zinc/70/84/66/573708466.db2.gz IGYPJPBNUCPYET-PRJMDXOYSA-N 0 0 153.250 2.042 10 30 AEEERN Cc1cccc2c1NCC[C@@H](C#N)C2 259617965 573708488 /nfs/dbraw/zinc/70/84/88/573708488.db2.gz GOUZMMTYQCJPMH-SNVBAGLBSA-N 0 0 186.258 2.493 10 30 AEEERN Cc1cc(N(C)CS)ccc1F 258888769 573708524 /nfs/dbraw/zinc/70/85/24/573708524.db2.gz JAYMASCDTWEJDS-UHFFFAOYSA-N 0 0 185.267 2.458 10 30 AEEERN Cc1cc(C#N)c(C(F)F)nc1C=O 238477368 573708564 /nfs/dbraw/zinc/70/85/64/573708564.db2.gz UIDHXLGJLJWVCW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C[C@@H]1CCCCC[C@@H]1NCC#N 83949197 573708592 /nfs/dbraw/zinc/70/85/92/573708592.db2.gz XAKUWXWYYBZKNP-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN C=C1CCCC[C@@]12C[C@@H]2C=O 238010484 573708601 /nfs/dbraw/zinc/70/86/01/573708601.db2.gz NAXCVWIFUABYCV-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H]1C[C@@](Cl)(C#N)CS1 86940636 573708663 /nfs/dbraw/zinc/70/86/63/573708663.db2.gz ZUPWISIFEUCLMW-PHDIDXHHSA-N 0 0 161.657 2.013 10 30 AEEERN N#Cc1ccc2c(c1)OC1(CCC1)O2 258100995 573708708 /nfs/dbraw/zinc/70/87/08/573708708.db2.gz OUOIJLHAPYRVED-UHFFFAOYSA-N 0 0 187.198 2.210 10 30 AEEERN C=CCC[C@H](O)[C@@H](O)C1CCCCC1 236529376 573708775 /nfs/dbraw/zinc/70/87/75/573708775.db2.gz HENVJFGDWRUFAG-RYUDHWBXSA-N 0 0 198.306 2.255 10 30 AEEERN C(=N/Cc1ccccc1)\c1ncc[nH]1 238010194 573708848 /nfs/dbraw/zinc/70/88/48/573708848.db2.gz GKDIWFHMBCOVDV-FMIVXFBMSA-N 0 0 185.230 2.029 10 30 AEEERN C#CCC[C@@H](O)c1ccc(Cl)o1 236536610 573709033 /nfs/dbraw/zinc/70/90/33/573709033.db2.gz XANMEBUIEFAECY-SSDOTTSWSA-N 0 0 184.622 2.380 10 30 AEEERN CCC(C)(C)OCC[NH2+][C@H](C)CC#N 308689948 573709067 /nfs/dbraw/zinc/70/90/67/573709067.db2.gz HHAASXFOAZNEGG-SNVBAGLBSA-N 0 0 198.310 2.083 10 30 AEEERN C=CCOCCC(=O)c1ccccc1 130797524 573709362 /nfs/dbraw/zinc/70/93/62/573709362.db2.gz AXJZWZIQXJZIRM-UHFFFAOYSA-N 0 0 190.242 2.462 10 30 AEEERN N#C[C@H]1C[C@@H]2SCC[C@H]2C1 259559974 573709296 /nfs/dbraw/zinc/70/92/96/573709296.db2.gz IGYPJPBNUCPYET-CSMHCCOUSA-N 0 0 153.250 2.042 10 30 AEEERN O=CC#CCc1ccccc1Cl 258100168 573709371 /nfs/dbraw/zinc/70/93/71/573709371.db2.gz HABHATQZRCRLGY-UHFFFAOYSA-N 0 0 178.618 2.085 10 30 AEEERN C(=N/Cc1ccc[nH]1)\c1ccco1 238010102 573709746 /nfs/dbraw/zinc/70/97/46/573709746.db2.gz JIYVGXXELDJLCE-DHZHZOJOSA-N 0 0 174.203 2.227 10 30 AEEERN C(=NCc1ccccc1)c1c[nH]cn1 238010149 573710622 /nfs/dbraw/zinc/71/06/22/573710622.db2.gz WYZDWRCONOSMHS-KPKJPENVSA-N 0 0 185.230 2.029 10 30 AEEERN C=CC[C@H]1NC(=O)c2ccccc21 223298987 573709820 /nfs/dbraw/zinc/70/98/20/573709820.db2.gz YBBANKJRBGSHKM-SNVBAGLBSA-N 0 0 173.215 2.047 10 30 AEEERN C=C[C@@H](CO)CC/C=C/C 238012197 573709831 /nfs/dbraw/zinc/70/98/31/573709831.db2.gz GBVDFVMSGZJTSI-HYYFJVDXSA-N 0 0 140.226 2.137 10 30 AEEERN C[C@H]1CCCCC[C@H]1NCC#N 83949200 573709852 /nfs/dbraw/zinc/70/98/52/573709852.db2.gz XAKUWXWYYBZKNP-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CC/C=C/CCC(=O)CCC=O 135967082 573709879 /nfs/dbraw/zinc/70/98/79/573709879.db2.gz PYCXUYULQFTHOD-ONEGZZNKSA-N 0 0 168.236 2.281 10 30 AEEERN CCCN[C@]1(C#N)CCCS[C@@H]1C 86946523 573709895 /nfs/dbraw/zinc/70/98/95/573709895.db2.gz WKIVADKQUYJUSB-ZJUUUORDSA-N 0 0 198.335 2.164 10 30 AEEERN C#CCC/C=C/CC 135967208 573709898 /nfs/dbraw/zinc/70/98/98/573709898.db2.gz AQVJJJCTUUAYPG-SOFGYWHQSA-N 0 0 108.184 2.366 10 30 AEEERN C=C1CCCC[C@@]12C[C@H]2C=O 238010513 573709907 /nfs/dbraw/zinc/70/99/07/573709907.db2.gz NAXCVWIFUABYCV-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCS[C@H]1C 86946536 573710633 /nfs/dbraw/zinc/71/06/33/573710633.db2.gz DMEZQWDAXVFCMV-VHSXEESVSA-N 0 0 198.335 2.162 10 30 AEEERN C[C@@H]1CCCCC[C@H]1NCC#N 83949199 573709946 /nfs/dbraw/zinc/70/99/46/573709946.db2.gz XAKUWXWYYBZKNP-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN N#C[C@@H]1C[C@H]2CCS[C@@H]2C1 259559973 573709975 /nfs/dbraw/zinc/70/99/75/573709975.db2.gz IGYPJPBNUCPYET-BWZBUEFSSA-N 0 0 153.250 2.042 10 30 AEEERN CCN(CC)[C@@]1(C#N)CS[C@@H](C)C1 86940232 573709997 /nfs/dbraw/zinc/70/99/97/573709997.db2.gz TYJVIKKXKHABNS-UWVGGRQHSA-N 0 0 198.335 2.116 10 30 AEEERN Cc1noc(C#N)c1CC(C)(C)C 259561431 573710031 /nfs/dbraw/zinc/71/00/31/573710031.db2.gz WYJRQEJUXMOKSQ-UHFFFAOYSA-N 0 0 178.235 2.443 10 30 AEEERN C(#Cc1ccccc1)Cc1c[nH]cn1 238010751 573710039 /nfs/dbraw/zinc/71/00/39/573710039.db2.gz WCRHTBCLTKNTLZ-UHFFFAOYSA-N 0 0 182.226 2.004 10 30 AEEERN C#CC(=O)[C@]12CCC=C1[C@@H](C)CC2 238491159 573710110 /nfs/dbraw/zinc/71/01/10/573710110.db2.gz WWGPNUUKNVNZMB-CABZTGNLSA-N 0 0 174.243 2.325 10 30 AEEERN N#Cc1ccc(-c2ccc(N)o2)s1 259561329 573710153 /nfs/dbraw/zinc/71/01/53/573710153.db2.gz WWWSOHURXAONEQ-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN COc1nccc2ccc(CC#N)cc12 258101151 573710171 /nfs/dbraw/zinc/71/01/71/573710171.db2.gz OWPBZHNOXBLVIW-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN C=CC[C@@H](O)c1ncccc1Cl 236535361 573710259 /nfs/dbraw/zinc/71/02/59/573710259.db2.gz GRYAJMZUTAGULX-MRVPVSSYSA-N 0 0 183.638 2.345 10 30 AEEERN C=CC[C@@H](O)C1(O)CCCCCC1 236534268 573710284 /nfs/dbraw/zinc/71/02/84/573710284.db2.gz JTBYHCCBGBRWNQ-SNVBAGLBSA-N 0 0 184.279 2.009 10 30 AEEERN CCCN[C@@]1(C#N)CCCS[C@H]1C 86946532 573710317 /nfs/dbraw/zinc/71/03/17/573710317.db2.gz WKIVADKQUYJUSB-VHSXEESVSA-N 0 0 198.335 2.164 10 30 AEEERN C#CCC[C@@H](O)c1ncccc1Cl 236536844 573710393 /nfs/dbraw/zinc/71/03/93/573710393.db2.gz MLOOBSKLZHXRNU-SECBINFHSA-N 0 0 195.649 2.182 10 30 AEEERN Cc1ccc(F)c(O)c1C1(C#N)CC1 238490593 573710398 /nfs/dbraw/zinc/71/03/98/573710398.db2.gz RUDSOVUPGHSWBS-UHFFFAOYSA-N 0 0 191.205 2.395 10 30 AEEERN C[C@H]1C[C@@](Cl)(C#N)CS1 86940639 573710422 /nfs/dbraw/zinc/71/04/22/573710422.db2.gz ZUPWISIFEUCLMW-NTSWFWBYSA-N 0 0 161.657 2.013 10 30 AEEERN CCN(CC)[C@]1(C#N)CS[C@H](C)C1 86940239 573710445 /nfs/dbraw/zinc/71/04/45/573710445.db2.gz TYJVIKKXKHABNS-NXEZZACHSA-N 0 0 198.335 2.116 10 30 AEEERN Cc1noc2cccc(CCC=O)c12 258096177 573712222 /nfs/dbraw/zinc/71/22/22/573712222.db2.gz OIXNALQKGRNDRT-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN CCCN[C@]1(C#N)CCCS[C@H]1C 86946529 573712302 /nfs/dbraw/zinc/71/23/02/573712302.db2.gz WKIVADKQUYJUSB-UWVGGRQHSA-N 0 0 198.335 2.164 10 30 AEEERN COc1ccc([C@H]2O[C@H]2C)c(OC)c1 258890372 573712067 /nfs/dbraw/zinc/71/20/67/573712067.db2.gz UBYUGRXNICTRKB-CPCISQLKSA-N 0 0 194.230 2.164 10 30 AEEERN CCN(CC)[C@@]1(C#N)CS[C@H](C)C1 86940237 573712169 /nfs/dbraw/zinc/71/21/69/573712169.db2.gz TYJVIKKXKHABNS-ZJUUUORDSA-N 0 0 198.335 2.116 10 30 AEEERN CC(C)N[C@]1(C#N)CCCS[C@@H]1C 86946539 573712472 /nfs/dbraw/zinc/71/24/72/573712472.db2.gz DMEZQWDAXVFCMV-ZJUUUORDSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)CN[C@H](C#N)C1(C)CCC1 686128900 573712537 /nfs/dbraw/zinc/71/25/37/573712537.db2.gz NNZPLWAPMJDUOV-SNVBAGLBSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1C[C@](Cl)(C#N)CS1 86940634 573712572 /nfs/dbraw/zinc/71/25/72/573712572.db2.gz ZUPWISIFEUCLMW-WDSKDSINSA-N 0 0 161.657 2.013 10 30 AEEERN C[C@](N)(CC#N)c1cc(F)cc(F)c1 238493433 573712639 /nfs/dbraw/zinc/71/26/39/573712639.db2.gz GNSNVOKECZYPGK-JTQLQIEISA-N 0 0 196.200 2.052 10 30 AEEERN FC(F)CON=CC1(C(F)F)CC1 393554995 573712665 /nfs/dbraw/zinc/71/26/65/573712665.db2.gz PARXFLZEXLMISQ-UHFFFAOYSA-N 0 0 199.147 2.299 10 30 AEEERN C[C@@H](CC=O)c1ccc2c[nH]nc2c1 258095974 573712807 /nfs/dbraw/zinc/71/28/07/573712807.db2.gz OGRXKWUFTSUIEH-QMMMGPOBSA-N 0 0 188.230 2.255 10 30 AEEERN C=C(C)C(=O)CC(C)C 83961963 573712818 /nfs/dbraw/zinc/71/28/18/573712818.db2.gz TXQCOAWMUZRGDQ-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C[C@](N)(CC#N)c1c(F)cccc1F 238493351 573712857 /nfs/dbraw/zinc/71/28/57/573712857.db2.gz SAPPYFXFINVDPW-JTQLQIEISA-N 0 0 196.200 2.052 10 30 AEEERN CC#CC#C[C@@H](O)c1ccc(C)s1 238021052 573712897 /nfs/dbraw/zinc/71/28/97/573712897.db2.gz QAWQLAVVNRHERW-SNVBAGLBSA-N 0 0 190.267 2.117 10 30 AEEERN CC#CC#C[C@H](O)c1ccc(C)s1 238021439 573712908 /nfs/dbraw/zinc/71/29/08/573712908.db2.gz QAWQLAVVNRHERW-JTQLQIEISA-N 0 0 190.267 2.117 10 30 AEEERN C=CCc1noc(CC2CCC2)n1 393554432 573713236 /nfs/dbraw/zinc/71/32/36/573713236.db2.gz ZTZSKPICXHXCSG-UHFFFAOYSA-N 0 0 178.235 2.141 10 30 AEEERN C=C(C)c1cccc(CNOC)c1 258102016 573713023 /nfs/dbraw/zinc/71/30/23/573713023.db2.gz XWZNXUQGUMPCLU-UHFFFAOYSA-N 0 0 177.247 2.371 10 30 AEEERN C=C[C@H](O)c1ccc(Cl)o1 236546179 573713073 /nfs/dbraw/zinc/71/30/73/573713073.db2.gz WEWHBGBPBVUGNJ-YFKPBYRVSA-N 0 0 158.584 2.152 10 30 AEEERN Cc1ccc(F)c([C@@](C)(N)CC#N)c1 238492078 573713085 /nfs/dbraw/zinc/71/30/85/573713085.db2.gz VZFMSBOYAPQROK-NSHDSACASA-N 0 0 192.237 2.222 10 30 AEEERN C=C1CCCC2(CC2)C(=O)C1 238021141 573713144 /nfs/dbraw/zinc/71/31/44/573713144.db2.gz ZWLNHQZVGCXKKE-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN C=CC[C@@H](O)/C=C\[Si](C)(C)C 215323816 573715544 /nfs/dbraw/zinc/71/55/44/573715544.db2.gz CIVAEXOLSFNMOX-UFGYOYAJSA-N 0 0 170.328 2.357 10 30 AEEERN CCn1ccnc1C1=CC(=O)CCC1 75864952 573715652 /nfs/dbraw/zinc/71/56/52/573715652.db2.gz OJHJITQFDJPPAP-UHFFFAOYSA-N 0 0 190.246 2.039 10 30 AEEERN C=CC(C)(C)C(=C)C(C)=O 238039498 573715671 /nfs/dbraw/zinc/71/56/71/573715671.db2.gz IZFRJDYPGYFBOH-UHFFFAOYSA-N 0 0 138.210 2.344 10 30 AEEERN CC#C[C@@H](C)[C@H](O)c1ccccc1 238039721 573715686 /nfs/dbraw/zinc/71/56/86/573715686.db2.gz HRNDGEKTVWPOFW-PWSUYJOCSA-N 0 0 174.243 2.379 10 30 AEEERN CCC#C/C=C1\C(=O)CC[C@@H]1C 223295115 573715913 /nfs/dbraw/zinc/71/59/13/573715913.db2.gz HHNIBFOFYXUFFW-LKJZUNMESA-N 0 0 162.232 2.325 10 30 AEEERN Cc1ccc([C@](C)(N)CC#N)cc1F 238492677 573715962 /nfs/dbraw/zinc/71/59/62/573715962.db2.gz PQPINCBVTNKXSL-LLVKDONJSA-N 0 0 192.237 2.222 10 30 AEEERN C/C(=C\CS)CCCCO 238039283 573715972 /nfs/dbraw/zinc/71/59/72/573715972.db2.gz BUUKCFJINNDCBU-VMPITWQZSA-N 0 0 160.282 2.025 10 30 AEEERN O/N=C/c1cccc(C(F)F)c1 124941955 573715976 /nfs/dbraw/zinc/71/59/76/573715976.db2.gz XEYBRQJLLRDHJG-VZUCSPMQSA-N 0 0 171.146 2.432 10 30 AEEERN C[C@@H]1SCCC[C@@]1(Cl)C#N 86968971 573716103 /nfs/dbraw/zinc/71/61/03/573716103.db2.gz DFNWRWHINHRCKN-NKWVEPMBSA-N 0 0 175.684 2.403 10 30 AEEERN C=C(C)[C@]1(O)CCCS[C@@H]1C 86968667 573716130 /nfs/dbraw/zinc/71/61/30/573716130.db2.gz FAYYUALDGGOVQL-RKDXNWHRSA-N 0 0 172.293 2.209 10 30 AEEERN CC(=O)C#Cc1ccc2occc2c1 238038589 573716154 /nfs/dbraw/zinc/71/61/54/573716154.db2.gz ZSFQYYLTULNBGL-UHFFFAOYSA-N 0 0 184.194 2.373 10 30 AEEERN CC(=O)C#Cc1ccc2ccoc2c1 238038507 573716202 /nfs/dbraw/zinc/71/62/02/573716202.db2.gz SVYFHTJTBNJFCA-UHFFFAOYSA-N 0 0 184.194 2.373 10 30 AEEERN C[C@H](C=O)[C@@H](C)C(F)(F)F 108282576 573717436 /nfs/dbraw/zinc/71/74/36/573717436.db2.gz VSCHDLJVPSDLMX-RFZPGFLSSA-N 0 0 154.131 2.020 10 30 AEEERN C=C[C@H](C#CC)[C@H]1CCCC1=O 238039882 573716269 /nfs/dbraw/zinc/71/62/69/573716269.db2.gz DKSQEPSZJCOQEV-NXEZZACHSA-N 0 0 162.232 2.181 10 30 AEEERN C=CC[C@]1(O)CCCS[C@@H]1C 86947943 573716305 /nfs/dbraw/zinc/71/63/05/573716305.db2.gz QAMOKWPJZPOOCG-BDAKNGLRSA-N 0 0 172.293 2.209 10 30 AEEERN C[C@@H](CC=O)c1cccc(C#N)c1 258097600 573716326 /nfs/dbraw/zinc/71/63/26/573716326.db2.gz XKQZGLRBPYFJDI-VIFPVBQESA-N 0 0 173.215 2.251 10 30 AEEERN N#Cc1ccc([C@@H]2CCOC2)cc1 258097536 573716342 /nfs/dbraw/zinc/71/63/42/573716342.db2.gz XJNVVNAWNLRIKU-LLVKDONJSA-N 0 0 173.215 2.062 10 30 AEEERN N#Cc1ccc([C@H]2CCOC2)cc1 258097539 573716428 /nfs/dbraw/zinc/71/64/28/573716428.db2.gz XJNVVNAWNLRIKU-NSHDSACASA-N 0 0 173.215 2.062 10 30 AEEERN C=C[C@H](C#CC)[C@@H]1CCCC1=O 238039797 573716564 /nfs/dbraw/zinc/71/65/64/573716564.db2.gz DKSQEPSZJCOQEV-ZJUUUORDSA-N 0 0 162.232 2.181 10 30 AEEERN C[C@](N)(CC#N)c1cccc(Cl)c1 238493802 573716647 /nfs/dbraw/zinc/71/66/47/573716647.db2.gz YOAVUPMNLAHMBV-JTQLQIEISA-N 0 0 194.665 2.428 10 30 AEEERN C#CCC[C@@]1(O)CCCS[C@@H]1C 86968697 573716686 /nfs/dbraw/zinc/71/66/86/573716686.db2.gz KWFNOPHDXVMVRV-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN C[C@](N)(CC#N)c1ccc(F)c(F)c1 238493626 573716728 /nfs/dbraw/zinc/71/67/28/573716728.db2.gz ZQVOWJRBVAQRQH-JTQLQIEISA-N 0 0 196.200 2.052 10 30 AEEERN C=C1CC[C@@H]2[C@@H](C)CC(=O)[C@H]12 223293027 573716809 /nfs/dbraw/zinc/71/68/09/573716809.db2.gz FGQFDQZVKKVOLR-QXFUBDJGSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@]12CC=CC[C@@H]1CC=CC2=O 223288356 573716950 /nfs/dbraw/zinc/71/69/50/573716950.db2.gz GOVMZLZBILBGJV-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN CCO[C@@]1(C#N)CCCS[C@@H]1C 86969504 573717028 /nfs/dbraw/zinc/71/70/28/573717028.db2.gz JGWFVZSFNBCFGS-RKDXNWHRSA-N 0 0 185.292 2.201 10 30 AEEERN C/C(=C/C#Cc1ccccc1)CCO 238039790 573717029 /nfs/dbraw/zinc/71/70/29/573717029.db2.gz ADHCIVNEAODAEG-SDQBBNPISA-N 0 0 186.254 2.367 10 30 AEEERN Cc1ccc2c(c1)NCC[C@@H]2C#N 83963544 573717110 /nfs/dbraw/zinc/71/71/10/573717110.db2.gz FUSQFHPXERSJRS-SECBINFHSA-N 0 0 172.231 2.418 10 30 AEEERN CC#C[C@@H](C)[C@H](O)CC(C)C 238039705 573717125 /nfs/dbraw/zinc/71/71/25/573717125.db2.gz MJMSVWJJZCYKSB-NXEZZACHSA-N 0 0 154.253 2.053 10 30 AEEERN C[C@@]12CC=CC[C@H]1CC=CC2=O 223288415 573717234 /nfs/dbraw/zinc/71/72/34/573717234.db2.gz GOVMZLZBILBGJV-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC[C@@H]1C(=O)[C@H](C)C[C@@H]1C 238494202 573717507 /nfs/dbraw/zinc/71/75/07/573717507.db2.gz XBYSLVODDDRCKJ-YIZRAAEISA-N 0 0 152.237 2.424 10 30 AEEERN C=CC[C@](C)(O)c1cccc(O)c1 223305583 573717696 /nfs/dbraw/zinc/71/76/96/573717696.db2.gz JHAURFVKNHNHNS-NSHDSACASA-N 0 0 178.231 2.176 10 30 AEEERN C=C[C@]1(C)CCC[C@@]1(C)CO 238493658 573717840 /nfs/dbraw/zinc/71/78/40/573717840.db2.gz RLURNJPOZDRONC-ZJUUUORDSA-N 0 0 154.253 2.361 10 30 AEEERN C=C[C@@]1(C)CCC[C@@]1(C)CO 238493705 573717858 /nfs/dbraw/zinc/71/78/58/573717858.db2.gz RLURNJPOZDRONC-UWVGGRQHSA-N 0 0 154.253 2.361 10 30 AEEERN CCCC1([C@H](C#N)CC)COC1 258512089 573717861 /nfs/dbraw/zinc/71/78/61/573717861.db2.gz GBWZAZVJHJLSPE-VIFPVBQESA-N 0 0 167.252 2.353 10 30 AEEERN Cc1[nH]cnc1C=Nc1ccccc1 238494570 573717991 /nfs/dbraw/zinc/71/79/91/573717991.db2.gz CUAHRYRBWYEIGF-KPKJPENVSA-N 0 0 185.230 2.469 10 30 AEEERN C=C1C=C[C@@H]2C[C@@H]3C=CC(=O)[C@@H]3[C@@H]12 238028400 573718136 /nfs/dbraw/zinc/71/81/36/573718136.db2.gz APIFKLKZCYRJTH-LLHIFLOGSA-N 0 0 172.227 2.120 10 30 AEEERN C=CCC[C@@]1(C)C(=O)CCC[C@@H]1O 223303908 573718275 /nfs/dbraw/zinc/71/82/75/573718275.db2.gz LLCRDJIXHHZMHX-GXSJLCMTSA-N 0 0 182.263 2.073 10 30 AEEERN CCCC1([C@@H](C#N)CC)COC1 258512086 573718295 /nfs/dbraw/zinc/71/82/95/573718295.db2.gz GBWZAZVJHJLSPE-SECBINFHSA-N 0 0 167.252 2.353 10 30 AEEERN C[C@H](C#N)Cc1cccc([N+](=O)[O-])c1 83966544 573718578 /nfs/dbraw/zinc/71/85/78/573718578.db2.gz HYWRAJKCRVETHK-QMMMGPOBSA-N 0 0 190.202 2.297 10 30 AEEERN C=C1CC[C@@H]2[C@H](C)CC(=O)[C@@H]12 223292904 573718341 /nfs/dbraw/zinc/71/83/41/573718341.db2.gz FGQFDQZVKKVOLR-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN CC#CCCC1=C(C)C(=O)[C@@H]1C 238027981 573718342 /nfs/dbraw/zinc/71/83/42/573718342.db2.gz FRNLMYUHQBBYMG-MRVPVSSYSA-N 0 0 162.232 2.325 10 30 AEEERN C[C@H](CC=O)c1cccc(C#N)c1 258097596 573718580 /nfs/dbraw/zinc/71/85/80/573718580.db2.gz XKQZGLRBPYFJDI-SECBINFHSA-N 0 0 173.215 2.251 10 30 AEEERN CC#CCCNc1ccccc1CO 238030175 573718377 /nfs/dbraw/zinc/71/83/77/573718377.db2.gz YTQXRQSCIAIQOH-UHFFFAOYSA-N 0 0 189.258 2.004 10 30 AEEERN CC1=C(C)C(=O)c2[nH]c(C)cc2C1=O 238494869 573718433 /nfs/dbraw/zinc/71/84/33/573718433.db2.gz PLDWLDNSBULGLD-UHFFFAOYSA-N 0 0 189.214 2.039 10 30 AEEERN CC(C)C(C(C)C)[C@@H](C#N)N(C)C 393556188 573718552 /nfs/dbraw/zinc/71/85/52/573718552.db2.gz SPSNIFVENBCYOF-SNVBAGLBSA-N 0 0 182.311 2.368 10 30 AEEERN CC(C)C(C(C)C)[C@H](C#N)N(C)C 393556185 573718750 /nfs/dbraw/zinc/71/87/50/573718750.db2.gz SPSNIFVENBCYOF-JTQLQIEISA-N 0 0 182.311 2.368 10 30 AEEERN CC#CCCC1=C(C)[C@@H](O)[C@@H]1C 238028100 573718769 /nfs/dbraw/zinc/71/87/69/573718769.db2.gz HLZGMENLDGJXRV-KCJUWKMLSA-N 0 0 164.248 2.117 10 30 AEEERN C/C(=N/C(C)(C)CO)c1ccccc1 238028174 573719570 /nfs/dbraw/zinc/71/95/70/573719570.db2.gz XYIFKDQCHZGAJZ-RAXLEYEMSA-N 0 0 191.274 2.267 10 30 AEEERN CC#CCCC1=C(C)[C@@H](O)[C@H]1C 238028131 573719601 /nfs/dbraw/zinc/71/96/01/573719601.db2.gz HLZGMENLDGJXRV-KWQFWETISA-N 0 0 164.248 2.117 10 30 AEEERN CC#CCCCCCC=O 238028925 573719615 /nfs/dbraw/zinc/71/96/15/573719615.db2.gz PSROXLIYXCFDHU-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN CCO[C@@]1(C#N)CSCC(C)(C)C1 86978897 573719710 /nfs/dbraw/zinc/71/97/10/573719710.db2.gz WDQMJXNIIOSGTL-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN C/C=C/[C@@H](C)[C@H](C)CC=O 238027334 573719742 /nfs/dbraw/zinc/71/97/42/573719742.db2.gz AIWZAGJDIASFLT-HOMPQPGZSA-N 0 0 140.226 2.424 10 30 AEEERN O=CCCc1cccc(CCF)c1 258103867 573719763 /nfs/dbraw/zinc/71/97/63/573719763.db2.gz YFFOJAFHMGLTLQ-UHFFFAOYSA-N 0 0 180.222 2.330 10 30 AEEERN CC#CCCC1=C(C)C(=O)[C@H]1C 238028011 573719778 /nfs/dbraw/zinc/71/97/78/573719778.db2.gz FRNLMYUHQBBYMG-QMMMGPOBSA-N 0 0 162.232 2.325 10 30 AEEERN CCC#CCC[C@H](O)C(C)C 197538138 573719901 /nfs/dbraw/zinc/71/99/01/573719901.db2.gz UTPLHOMWTPOESA-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C=C(C)C(=O)CCC(F)(F)F 86979482 573720031 /nfs/dbraw/zinc/72/00/31/573720031.db2.gz BMKNMOFZSBYLBN-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN CCO[C@@]1(C#N)CSCCC1(C)C 86973844 573720097 /nfs/dbraw/zinc/72/00/97/573720097.db2.gz QHUWVDRGCKONNS-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN C[C@@H]([C@@H](C)C=O)C(F)(F)F 108282579 573720130 /nfs/dbraw/zinc/72/01/30/573720130.db2.gz VSCHDLJVPSDLMX-WHFBIAKZSA-N 0 0 154.131 2.020 10 30 AEEERN C[C@](N)(CC#N)c1cccc(F)c1F 238493853 573720740 /nfs/dbraw/zinc/72/07/40/573720740.db2.gz NVNGCOCFNDKAHK-JTQLQIEISA-N 0 0 196.200 2.052 10 30 AEEERN C#CCCNC(=O)C1CCCCCC1 69791892 573720165 /nfs/dbraw/zinc/72/01/65/573720165.db2.gz UEYFCYMMYVQAAI-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN Cc1nc[nH]c1N=Cc1ccccc1 238493558 573720235 /nfs/dbraw/zinc/72/02/35/573720235.db2.gz XPYNDTHKKNAMDZ-KPKJPENVSA-N 0 0 185.230 2.469 10 30 AEEERN C=CC1=CC[C@@H](C=O)CC1 238043449 573720305 /nfs/dbraw/zinc/72/03/05/573720305.db2.gz LDDGQAYLEBKARS-SECBINFHSA-N 0 0 136.194 2.098 10 30 AEEERN CC(C)N(CC#N)CCCC(F)F 688720315 573720438 /nfs/dbraw/zinc/72/04/38/573720438.db2.gz RNJQGCZZSKJTNT-UHFFFAOYSA-N 0 0 190.237 2.266 10 30 AEEERN C=C1CC[C@@H]2[C@@H](C)CC(=O)[C@@H]12 223292956 573720505 /nfs/dbraw/zinc/72/05/05/573720505.db2.gz FGQFDQZVKKVOLR-XKSSXDPKSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@](N)(CC#N)c1ccccc1Cl 238493936 573720539 /nfs/dbraw/zinc/72/05/39/573720539.db2.gz IPCUZLRZBQPLKM-JTQLQIEISA-N 0 0 194.665 2.428 10 30 AEEERN C=C1CCCC[C@@]1(C)CO 238493554 573720632 /nfs/dbraw/zinc/72/06/32/573720632.db2.gz UJBOYGBYBJHVGR-VIFPVBQESA-N 0 0 140.226 2.115 10 30 AEEERN C=C1CCCC[C@H]1[C@H](O)C#CC 238042043 573720665 /nfs/dbraw/zinc/72/06/65/573720665.db2.gz FEXPBMQSYHJSLE-GHMZBOCLSA-N 0 0 164.248 2.117 10 30 AEEERN C=CC1=CC(=O)CCCC1 238042907 573720697 /nfs/dbraw/zinc/72/06/97/573720697.db2.gz TVITUYBSAHCADJ-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CO[C@@]1(C#N)CSCC(C)(C)C1 86978893 573721590 /nfs/dbraw/zinc/72/15/90/573721590.db2.gz UPHFHKMBCLSRKX-VIFPVBQESA-N 0 0 185.292 2.058 10 30 AEEERN C=CC1=CCCCCC1=O 238043117 573723149 /nfs/dbraw/zinc/72/31/49/573723149.db2.gz MGSHVZGBXRTPEE-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CCO[C@]1(C#N)CSCCC1(C)C 86973841 573721544 /nfs/dbraw/zinc/72/15/44/573721544.db2.gz QHUWVDRGCKONNS-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN CO[C@]1(C#N)CSCC(C)(C)C1 86978895 573721552 /nfs/dbraw/zinc/72/15/52/573721552.db2.gz UPHFHKMBCLSRKX-SECBINFHSA-N 0 0 185.292 2.058 10 30 AEEERN O=C1C=C(O)[C@H]2C3CCC(CC3)[C@H]12 142923795 573721689 /nfs/dbraw/zinc/72/16/89/573721689.db2.gz NFPJKMSPHXLVOB-VMLKCIBOSA-N 0 0 178.231 2.063 10 30 AEEERN C=C(C(C)=O)[C@H]1CC=CCC1 238041722 573721690 /nfs/dbraw/zinc/72/16/90/573721690.db2.gz SGJPISGQWHRXJP-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CO[C@]1(C#N)CSCCC1(C)C 86973834 573721886 /nfs/dbraw/zinc/72/18/86/573721886.db2.gz XQJOYKIIXUZWCX-SECBINFHSA-N 0 0 185.292 2.058 10 30 AEEERN CCc1cc(O)cc(CCC=O)c1 258105709 573721919 /nfs/dbraw/zinc/72/19/19/573721919.db2.gz YHDQSKAUWQCGQK-UHFFFAOYSA-N 0 0 178.231 2.086 10 30 AEEERN C=CC1=C(C=C)C(=O)CCC1 238042768 573721931 /nfs/dbraw/zinc/72/19/31/573721931.db2.gz MIKUKFYQQVGIRO-UHFFFAOYSA-N 0 0 148.205 2.408 10 30 AEEERN C=CC(=O)c1ccc2ocnc2c1 238042312 573722015 /nfs/dbraw/zinc/72/20/15/573722015.db2.gz KFHIZMYWOUWPAO-UHFFFAOYSA-N 0 0 173.171 2.197 10 30 AEEERN C=CC1=CC(=O)[C@H]2CC=CC[C@@H]12 238044635 573722084 /nfs/dbraw/zinc/72/20/84/573722084.db2.gz FWGIZTUQRHZXKB-UWVGGRQHSA-N 0 0 160.216 2.264 10 30 AEEERN O=C[C@@H]1O[C@H]1c1ccc(Cl)s1 142925947 573722118 /nfs/dbraw/zinc/72/21/18/573722118.db2.gz PFYLSNULVHXCBG-MHTLYPKNSA-N 0 0 188.635 2.040 10 30 AEEERN C=C[C@H](C)[C@@H](O)c1ccc([N+](=O)[O-])o1 215330565 573722135 /nfs/dbraw/zinc/72/21/35/573722135.db2.gz RJBGPYAMGOPDOS-IMTBSYHQSA-N 0 0 197.190 2.043 10 30 AEEERN CC#C[C@@H]1C=CC[C@H]1C(=O)C1CC1 238042948 573722138 /nfs/dbraw/zinc/72/21/38/573722138.db2.gz FHPBUNRLAMGFTK-MWLCHTKSSA-N 0 0 174.243 2.181 10 30 AEEERN C=C(C(C)=O)[C@@H](O)c1ccccc1C 238041576 573722146 /nfs/dbraw/zinc/72/21/46/573722146.db2.gz VSTYPBWQIMQBSQ-GFCCVEGCSA-N 0 0 190.242 2.174 10 30 AEEERN O=C1C=C(O)[C@H]2C3CCC(CC3)[C@@H]12 142923375 573722235 /nfs/dbraw/zinc/72/22/35/573722235.db2.gz NFPJKMSPHXLVOB-XMICXJGFSA-N 0 0 178.231 2.063 10 30 AEEERN CCN[C@]1(C#N)CSCCC1(C)C 86972078 573722273 /nfs/dbraw/zinc/72/22/73/573722273.db2.gz QBSNXWGDUIBSFE-SNVBAGLBSA-N 0 0 198.335 2.021 10 30 AEEERN N#C[C@]1(c2cccs2)CCCCN1 258892343 573722337 /nfs/dbraw/zinc/72/23/37/573722337.db2.gz YPYNDQNPBLIDNE-JTQLQIEISA-N 0 0 192.287 2.240 10 30 AEEERN N#CC#CCC1CCCC1 142905384 573722402 /nfs/dbraw/zinc/72/24/02/573722402.db2.gz RWWZTFKTKBSKNT-UHFFFAOYSA-N 0 0 133.194 2.094 10 30 AEEERN C=CCN1CCCc2ccc(O)cc21 142961031 573722459 /nfs/dbraw/zinc/72/24/59/573722459.db2.gz JXAOGPGJGMMJCJ-UHFFFAOYSA-N 0 0 189.258 2.331 10 30 AEEERN C=CC1=CC[C@H](C=O)CC1 238043550 573722478 /nfs/dbraw/zinc/72/24/78/573722478.db2.gz LDDGQAYLEBKARS-VIFPVBQESA-N 0 0 136.194 2.098 10 30 AEEERN Cc1ccsc1N(C)CCS 258892255 573722479 /nfs/dbraw/zinc/72/24/79/573722479.db2.gz NEPDIOLVHAYTLY-UHFFFAOYSA-N 0 0 187.333 2.423 10 30 AEEERN CCc1cc(CC#N)ccc1F 258105937 573722550 /nfs/dbraw/zinc/72/25/50/573722550.db2.gz YJQPVKIWNDPZQN-UHFFFAOYSA-N 0 0 163.195 2.454 10 30 AEEERN C=CC1=CC(=O)[C@@H]2CC=CC[C@@H]12 238044573 573722682 /nfs/dbraw/zinc/72/26/82/573722682.db2.gz FWGIZTUQRHZXKB-VHSXEESVSA-N 0 0 160.216 2.264 10 30 AEEERN C=CC1=CC(=O)[C@@H]2CC=CC[C@H]12 238044541 573722826 /nfs/dbraw/zinc/72/28/26/573722826.db2.gz FWGIZTUQRHZXKB-NXEZZACHSA-N 0 0 160.216 2.264 10 30 AEEERN C=C(C(C)=O)[C@H]([NH3+])c1ccc(C)cc1 238041876 573722841 /nfs/dbraw/zinc/72/28/41/573722841.db2.gz RTTPDRBHUUEVMS-LBPRGKRZSA-N 0 0 189.258 2.140 10 30 AEEERN C=CC1=CCC[C@@H](C=O)C1 238043297 573722873 /nfs/dbraw/zinc/72/28/73/573722873.db2.gz GKFSADSLYXAQKF-SECBINFHSA-N 0 0 136.194 2.098 10 30 AEEERN O=C[C@H]1O[C@H]1c1ccc(Cl)s1 142925570 573722879 /nfs/dbraw/zinc/72/28/79/573722879.db2.gz PFYLSNULVHXCBG-CLZZGJSISA-N 0 0 188.635 2.040 10 30 AEEERN CC(C)(C#N)C(=O)c1ccco1 258892104 573722899 /nfs/dbraw/zinc/72/28/99/573722899.db2.gz YMXOMIXRGUNGNX-UHFFFAOYSA-N 0 0 163.176 2.012 10 30 AEEERN C=C(C(C)=O)[C@H](O)c1ccccc1C 238042064 573722902 /nfs/dbraw/zinc/72/29/02/573722902.db2.gz VSTYPBWQIMQBSQ-LBPRGKRZSA-N 0 0 190.242 2.174 10 30 AEEERN O=C1C=C(O)[C@@H]2C3CCC(CC3)[C@@H]12 142923162 573722990 /nfs/dbraw/zinc/72/29/90/573722990.db2.gz NFPJKMSPHXLVOB-XFBKVQLDSA-N 0 0 178.231 2.063 10 30 AEEERN C/C=C/[C@@H]1[C@@H](C=O)C1(C)C 238044738 573722991 /nfs/dbraw/zinc/72/29/91/573722991.db2.gz SKQPUMJYNIIONK-IVZJMYDKSA-N 0 0 138.210 2.034 10 30 AEEERN C[C@@H]1C=C[C@H]([C@@H](C)C=O)CC1 238485650 573723002 /nfs/dbraw/zinc/72/30/02/573723002.db2.gz KNIJNDKZBZGZLH-UTLUCORTSA-N 0 0 152.237 2.424 10 30 AEEERN CCN[C@]1(C#N)CSCC(C)(C)C1 86976885 573723018 /nfs/dbraw/zinc/72/30/18/573723018.db2.gz HJXYXDAGAZPMTN-SNVBAGLBSA-N 0 0 198.335 2.021 10 30 AEEERN C=CC[C@]1(O)CSCCC1(C)C 86972658 573723073 /nfs/dbraw/zinc/72/30/73/573723073.db2.gz DUBSOJHOXMAOPK-JTQLQIEISA-N 0 0 186.320 2.457 10 30 AEEERN C=C(Cl)Cc1cc(N)ccc1O 142932183 573723092 /nfs/dbraw/zinc/72/30/92/573723092.db2.gz SHIQMOLLSPWELN-UHFFFAOYSA-N 0 0 183.638 2.269 10 30 AEEERN CC(C)(C)C#CC#C[C@@H](O)C(C)(C)C 142923306 573723107 /nfs/dbraw/zinc/72/31/07/573723107.db2.gz ALGOXGPYUNZMNK-LLVKDONJSA-N 0 0 192.302 2.446 10 30 AEEERN CC#C[C@@H](O)c1cccc(C)c1 238042337 573723108 /nfs/dbraw/zinc/72/31/08/573723108.db2.gz WEAYGAGXQYIMSX-LLVKDONJSA-N 0 0 160.216 2.052 10 30 AEEERN Cn1c(CS)cc2c(N)cccc21 258104826 573723110 /nfs/dbraw/zinc/72/31/10/573723110.db2.gz SHIBJALYQPZWKY-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN CC(=O)C1=CCc2ccccc21 108284309 573723160 /nfs/dbraw/zinc/72/31/60/573723160.db2.gz ITWQJJVSGURLET-UHFFFAOYSA-N 0 0 158.200 2.215 10 30 AEEERN CC(C)(C)C#CC#C[C@H](O)C(C)(C)C 142923076 573723207 /nfs/dbraw/zinc/72/32/07/573723207.db2.gz ALGOXGPYUNZMNK-NSHDSACASA-N 0 0 192.302 2.446 10 30 AEEERN Cc1nc(C(F)F)c(O)cc1CC#N 238495783 573723318 /nfs/dbraw/zinc/72/33/18/573723318.db2.gz TWFAYYOIMUEDIE-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1ccc([N+](=O)[O-])o1 215330522 573723346 /nfs/dbraw/zinc/72/33/46/573723346.db2.gz RJBGPYAMGOPDOS-MUWHJKNJSA-N 0 0 197.190 2.043 10 30 AEEERN C=CC[C@@H](C)[C@H](O)Cc1ccncc1 715005078 573724212 /nfs/dbraw/zinc/72/42/12/573724212.db2.gz KBDMBAILJPPSLJ-ZYHUDNBSSA-N 0 0 191.274 2.197 10 30 AEEERN C[C@@](F)(C=O)c1cccc(F)c1F 257858371 573724213 /nfs/dbraw/zinc/72/42/13/573724213.db2.gz QJLRCCHIHITVRL-SECBINFHSA-N 0 0 188.148 2.348 10 30 AEEERN Cc1c(F)cnc(C#N)c1C(F)F 238496122 573724236 /nfs/dbraw/zinc/72/42/36/573724236.db2.gz MFTBNEUTTLMYHG-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1cc(C2CCC2)nc(CC#N)n1 259173514 573724254 /nfs/dbraw/zinc/72/42/54/573724254.db2.gz UIODFDAXDFKRGV-UHFFFAOYSA-N 0 0 187.246 2.119 10 30 AEEERN C=C[C@](C)(/C=C/C)[C@H](C)O 238046994 573724300 /nfs/dbraw/zinc/72/43/00/573724300.db2.gz HGAYISBSCSCBJN-KSOOHAFHSA-N 0 0 140.226 2.136 10 30 AEEERN N#C[C@@]1(c2cccs2)CCCCN1 258892347 573724301 /nfs/dbraw/zinc/72/43/01/573724301.db2.gz YPYNDQNPBLIDNE-SNVBAGLBSA-N 0 0 192.287 2.240 10 30 AEEERN C=CCC(=O)c1ccc(C#N)cc1 238047087 573724323 /nfs/dbraw/zinc/72/43/23/573724323.db2.gz NEINEPDHGGXXKN-UHFFFAOYSA-N 0 0 171.199 2.317 10 30 AEEERN CCN[C@@]1(C#N)CSCC(C)(C)C1 86976883 573724491 /nfs/dbraw/zinc/72/44/91/573724491.db2.gz HJXYXDAGAZPMTN-JTQLQIEISA-N 0 0 198.335 2.021 10 30 AEEERN C=C(C)[C@@H]1COc2ccccc2N1 142920462 573724780 /nfs/dbraw/zinc/72/47/80/573724780.db2.gz DSXJNPYEIAXDHU-JTQLQIEISA-N 0 0 175.231 2.436 10 30 AEEERN COc1c(O)cc(Cl)c(C)c1C#N 258106195 573727384 /nfs/dbraw/zinc/72/73/84/573727384.db2.gz PCIJWTQVXGKQRL-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN N#Cc1ccnn1[C@H]1CCCC[C@H]1F 221397955 573725608 /nfs/dbraw/zinc/72/56/08/573725608.db2.gz MUCHUOHCJQMYHS-ZJUUUORDSA-N 0 0 193.225 2.208 10 30 AEEERN C/C=C/[C@H](O)[C@@H](C#N)c1ccccc1 238056941 573725916 /nfs/dbraw/zinc/72/59/16/573725916.db2.gz SIYIAPVKVJCEDE-AQZGPHHMSA-N 0 0 187.242 2.231 10 30 AEEERN C/C=C(/C)C#C/C=C(/C)[C@H](C)O 238058122 573725982 /nfs/dbraw/zinc/72/59/82/573725982.db2.gz OEULDRROCXZDNC-FOTOXZMNSA-N 0 0 164.248 2.283 10 30 AEEERN C=C(C)C(=O)C1=CC(=O)C(C)(C)C1 238059606 573725995 /nfs/dbraw/zinc/72/59/95/573725995.db2.gz VKKNGLNYGXUFFR-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN COCc1c(F)ccc(CC#N)c1F 258106192 573726011 /nfs/dbraw/zinc/72/60/11/573726011.db2.gz PCBLISBSQSWOKH-UHFFFAOYSA-N 0 0 197.184 2.177 10 30 AEEERN N#Cc1ccnn1[C@@H]1CCC[C@H](F)C1 221398021 573726029 /nfs/dbraw/zinc/72/60/29/573726029.db2.gz ZEZPLHBMOMXXOB-DTWKUNHWSA-N 0 0 193.225 2.208 10 30 AEEERN CC(=O)C1(S)CCCCC1 238057520 573726062 /nfs/dbraw/zinc/72/60/62/573726062.db2.gz YCMCMQQWVUZGQB-UHFFFAOYSA-N 0 0 158.266 2.208 10 30 AEEERN C=CC[C@H](C)[C@H](C)[C@H](C)O 715005105 573726137 /nfs/dbraw/zinc/72/61/37/573726137.db2.gz KHTHJOUASCDKJI-CIUDSAMLSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@@](C)(NC(C)=O)c1cccs1 238059373 573726185 /nfs/dbraw/zinc/72/61/85/573726185.db2.gz POMWGTGTTIGOLQ-SNVBAGLBSA-N 0 0 195.287 2.285 10 30 AEEERN C=C[C@H]([NH3+])c1cc2c(cc1C)OCC2 238485891 573726229 /nfs/dbraw/zinc/72/62/29/573726229.db2.gz OXSLJUJFPWYPAL-NSHDSACASA-N 0 0 189.258 2.116 10 30 AEEERN C=C[C@@H]1[NH2+][C@@H](C)Cc2ccccc21 238485835 573726264 /nfs/dbraw/zinc/72/62/64/573726264.db2.gz HLEARAYVZNEFEZ-CABZTGNLSA-N 0 0 173.259 2.448 10 30 AEEERN Cc1cc(C(=O)CC#N)c(C)s1 238485781 573726288 /nfs/dbraw/zinc/72/62/88/573726288.db2.gz POQZPJMLCSGNLW-UHFFFAOYSA-N 0 0 179.244 2.461 10 30 AEEERN C[C@]1(CCC=O)C(=O)[C@H]2C=C[C@@H]1CC2 238485827 573726382 /nfs/dbraw/zinc/72/63/82/573726382.db2.gz NSUNGOIKTQVLBS-HOSYDEDBSA-N 0 0 192.258 2.137 10 30 AEEERN CC#C/C(=C/C)[C@@H](O)C(C)(C)C 238057351 573730239 /nfs/dbraw/zinc/73/02/39/573730239.db2.gz KDSUKZNHOAFJHD-UJICNMFASA-N 0 0 166.264 2.363 10 30 AEEERN C[C@@H]1C[C@H]2CCCC2=CC1=O 238485928 573726404 /nfs/dbraw/zinc/72/64/04/573726404.db2.gz BDKRKMFFUMXVKU-HTQZYQBOSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCCOC1CCC1 238059133 573726431 /nfs/dbraw/zinc/72/64/31/573726431.db2.gz GDOZNUIHSRHFBT-UHFFFAOYSA-N 0 0 126.199 2.132 10 30 AEEERN CC(=O)C1=C(O)CCC[C@@H]1C 238485778 573726506 /nfs/dbraw/zinc/72/65/06/573726506.db2.gz SDXQFUHPKWTWOD-LURJTMIESA-N 0 0 154.209 2.208 10 30 AEEERN C=C1[C@@H](C)Cc2ccccc2[C@@H]1O 238485886 573726549 /nfs/dbraw/zinc/72/65/49/573726549.db2.gz YBWWYUHYXAHPCD-QPUJVOFHSA-N 0 0 174.243 2.468 10 30 AEEERN C[C@@H]1C=C[C@H]([C@H](C)C=O)CC1 238485779 573726589 /nfs/dbraw/zinc/72/65/89/573726589.db2.gz KNIJNDKZBZGZLH-BBBLOLIVSA-N 0 0 152.237 2.424 10 30 AEEERN CC#C/C=C/c1ccccc1CO 238051524 573732819 /nfs/dbraw/zinc/73/28/19/573732819.db2.gz CLHOZKNYPPNUIY-QPJJXVBHSA-N 0 0 172.227 2.215 10 30 AEEERN C/C=C/[C@H](O)[C@H](C#N)c1ccccc1 238058515 573726623 /nfs/dbraw/zinc/72/66/23/573726623.db2.gz SIYIAPVKVJCEDE-UNAJDXHTSA-N 0 0 187.242 2.231 10 30 AEEERN CC[C@@H](CC#N)C(F)F 257857220 573726765 /nfs/dbraw/zinc/72/67/65/573726765.db2.gz UHABVBFIZBRCAM-YFKPBYRVSA-N 0 0 133.141 2.191 10 30 AEEERN C=C(C)C#C[C@H](O)c1ccsc1 238057368 573726814 /nfs/dbraw/zinc/72/68/14/573726814.db2.gz QOQVRGJEYAOYAZ-JTQLQIEISA-N 0 0 178.256 2.361 10 30 AEEERN CCC(C)C(=O)C(=O)c1ccccc1 238059221 573726919 /nfs/dbraw/zinc/72/69/19/573726919.db2.gz HMLASJOSIONYHL-PPFSTCQPSA-N 0 0 190.242 2.255 10 30 AEEERN CC(=O)C1=C(C)[C@@H](C#N)CCC1 238060400 573727016 /nfs/dbraw/zinc/72/70/16/573727016.db2.gz PGHXMPWTGZETCU-SECBINFHSA-N 0 0 163.220 2.216 10 30 AEEERN C/C=C(/C)C#C[C@H](O)/C(C)=C/C 238058041 573727133 /nfs/dbraw/zinc/72/71/33/573727133.db2.gz PLECGDRFPIFIHO-WGBGGGPSSA-N 0 0 164.248 2.283 10 30 AEEERN C=C(C)C#Cc1ccccc1CO 238057748 573727246 /nfs/dbraw/zinc/72/72/46/573727246.db2.gz PTSGFFQRXFJXSB-UHFFFAOYSA-N 0 0 172.227 2.107 10 30 AEEERN C=C(C)C(N)=CC(=O)C(C)(C)C 238057882 573727420 /nfs/dbraw/zinc/72/74/20/573727420.db2.gz DISYLBXTAUXCBV-VURMDHGXSA-N 0 0 167.252 2.020 10 30 AEEERN CC#CC[N@H+](C)CCSCC(C)C 393500801 573727421 /nfs/dbraw/zinc/72/74/21/573727421.db2.gz YKKDUGNPQXJYHB-UHFFFAOYSA-N 0 0 199.363 2.331 10 30 AEEERN CC(=O)C1=C(C)C[C@@H](C#N)CC1 238059239 573727486 /nfs/dbraw/zinc/72/74/86/573727486.db2.gz ZWBSZXGOOLWRNY-VIFPVBQESA-N 0 0 163.220 2.216 10 30 AEEERN C=C1C[C@H](O)C[C@@H]2[C@@H](C)CC[C@@H]12 238488483 573727492 /nfs/dbraw/zinc/72/74/92/573727492.db2.gz QCIQEAIXLKHYFV-DMLMCSCLSA-N 0 0 166.264 2.360 10 30 AEEERN CCC(C)C(=O)C(=O)c1ccccc1 238059405 573727509 /nfs/dbraw/zinc/72/75/09/573727509.db2.gz HMLASJOSIONYHL-KNVNGTOESA-N 0 0 190.242 2.255 10 30 AEEERN C=C[C@@H](O)c1cc(OC)ccc1F 143088247 573727527 /nfs/dbraw/zinc/72/75/27/573727527.db2.gz DOIDQCIEGSWLBI-SNVBAGLBSA-N 0 0 182.194 2.054 10 30 AEEERN C[C@@H]1C=C2CCC(=O)C=C2C1 238488043 573727574 /nfs/dbraw/zinc/72/75/74/573727574.db2.gz NLWCVBCTXWUQSP-SSDOTTSWSA-N 0 0 148.205 2.242 10 30 AEEERN CC(=O)C1=C(C)CCC[C@H]1C#N 238058884 573728708 /nfs/dbraw/zinc/72/87/08/573728708.db2.gz JAUMAHCVSDKRCO-VIFPVBQESA-N 0 0 163.220 2.216 10 30 AEEERN C=CCc1cccc2c(=O)cc[nH]c12 143086886 573728711 /nfs/dbraw/zinc/72/87/11/573728711.db2.gz ZNNMGRDJQZMBDY-UHFFFAOYSA-N 0 0 185.226 2.257 10 30 AEEERN N#C[C@@H]1CCCc2scnc21 108285347 573730271 /nfs/dbraw/zinc/73/02/71/573730271.db2.gz SYXNPAOYPAIUDX-LURJTMIESA-N 0 0 164.233 2.087 10 30 AEEERN CC1=CC(=O)[C@H](C)C[C@H]2C[C@@H]12 238487701 573730282 /nfs/dbraw/zinc/73/02/82/573730282.db2.gz TUUPAKCMRWBMIS-VGMNWLOBSA-N 0 0 150.221 2.178 10 30 AEEERN N#C[C@@]12CCC[C@@H]1CC(=O)CC2 108285154 573728529 /nfs/dbraw/zinc/72/85/29/573728529.db2.gz KQJNHXGKWNETBJ-SCZZXKLOSA-N 0 0 163.220 2.049 10 30 AEEERN C=CCC[C@]1(C)CCCC(=O)[C@H]1O 238488393 573728539 /nfs/dbraw/zinc/72/85/39/573728539.db2.gz WXDRASFDSUJHLK-GHMZBOCLSA-N 0 0 182.263 2.073 10 30 AEEERN Cc1nc2cc(CCC=O)ccc2o1 258108668 573728545 /nfs/dbraw/zinc/72/85/45/573728545.db2.gz PKNKNHXJTLLPGU-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN C=C[C@@H](C)C[C@@H](O)/C=C/C 238056449 573728570 /nfs/dbraw/zinc/72/85/70/573728570.db2.gz DNIORZKWTYPSGV-OGSWXMBVSA-N 0 0 140.226 2.136 10 30 AEEERN O=C[C@@H]1CCC[C@H]1C(F)(F)F 108285777 573728581 /nfs/dbraw/zinc/72/85/81/573728581.db2.gz SODDPEOYGQGMMT-NTSWFWBYSA-N 0 0 166.142 2.164 10 30 AEEERN Cc1cc(O)c(C2(C#N)CC2)cc1F 238487334 573728589 /nfs/dbraw/zinc/72/85/89/573728589.db2.gz USUJSGLDQWBVOJ-UHFFFAOYSA-N 0 0 191.205 2.395 10 30 AEEERN C=CC[C@H](C)[C@H](C)[C@@H](C)O 715005108 573728663 /nfs/dbraw/zinc/72/86/63/573728663.db2.gz KHTHJOUASCDKJI-XHNCKOQMSA-N 0 0 142.242 2.216 10 30 AEEERN C=C(C)C(=O)CC[C@@H]1CS1 238059980 573728682 /nfs/dbraw/zinc/72/86/82/573728682.db2.gz GPFIQQWFYRIOQQ-SSDOTTSWSA-N 0 0 156.250 2.027 10 30 AEEERN C=C[C@H](C)C[C@@H](O)/C=C/C 238056282 573728722 /nfs/dbraw/zinc/72/87/22/573728722.db2.gz DNIORZKWTYPSGV-AIZLHNLISA-N 0 0 140.226 2.136 10 30 AEEERN N#Cc1ccnn1C1CCC(F)CC1 221397612 573728728 /nfs/dbraw/zinc/72/87/28/573728728.db2.gz GLUDNXVKSQTNFP-UHFFFAOYSA-N 0 0 193.225 2.208 10 30 AEEERN CC(=O)C1=C(C)C[C@H](C#N)CC1 238059367 573728922 /nfs/dbraw/zinc/72/89/22/573728922.db2.gz ZWBSZXGOOLWRNY-SECBINFHSA-N 0 0 163.220 2.216 10 30 AEEERN C=C(C)C(=O)CC[C@H]1CS1 238060010 573728944 /nfs/dbraw/zinc/72/89/44/573728944.db2.gz GPFIQQWFYRIOQQ-ZETCQYMHSA-N 0 0 156.250 2.027 10 30 AEEERN COC(=O)CC/C=C/[C@@H](C)CCC=O 238321488 573728953 /nfs/dbraw/zinc/72/89/53/573728953.db2.gz OKUAGSCLVOYZLD-QLCVYAKKSA-N 0 0 198.262 2.111 10 30 AEEERN CC(=CC(=O)C#N)c1ccccc1 238056942 573728969 /nfs/dbraw/zinc/72/89/69/573728969.db2.gz ZNHXMZXJIFMIJW-UHFFFAOYSA-N 0 0 171.199 2.183 10 30 AEEERN CC(=O)C1=C(C)CCSC1 238058982 573728991 /nfs/dbraw/zinc/72/89/91/573728991.db2.gz PRBNLBRAIFQUCP-UHFFFAOYSA-N 0 0 156.250 2.029 10 30 AEEERN N#Cc1ccnn1[C@H]1CCC[C@H](F)C1 221398070 573729027 /nfs/dbraw/zinc/72/90/27/573729027.db2.gz ZEZPLHBMOMXXOB-IUCAKERBSA-N 0 0 193.225 2.208 10 30 AEEERN N#CCCc1cc2c(cc1F)OCC2 259563691 573729107 /nfs/dbraw/zinc/72/91/07/573729107.db2.gz XBTIKVRWBSCPBJ-UHFFFAOYSA-N 0 0 191.205 2.217 10 30 AEEERN Cc1cc(C(C#N)C#N)cc(C)c1O 238488507 573729134 /nfs/dbraw/zinc/72/91/34/573729134.db2.gz KEAMLVLZDITCGA-UHFFFAOYSA-N 0 0 186.214 2.140 10 30 AEEERN N#Cc1ccnn1[C@@H]1CCC[C@@H](F)C1 221398123 573729146 /nfs/dbraw/zinc/72/91/46/573729146.db2.gz ZEZPLHBMOMXXOB-RKDXNWHRSA-N 0 0 193.225 2.208 10 30 AEEERN N#Cc1ccnn1[C@@H]1CCCC[C@H]1F 221397894 573729154 /nfs/dbraw/zinc/72/91/54/573729154.db2.gz MUCHUOHCJQMYHS-NXEZZACHSA-N 0 0 193.225 2.208 10 30 AEEERN C[C@H]1CC[C@H]2C1=CC(=O)[C@@H]2C 238487387 573729156 /nfs/dbraw/zinc/72/91/56/573729156.db2.gz SVZLLUVDNQGPGI-XLPZGREQSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1ccc(F)c(OCC[C@@H]2CO2)c1 308693622 573729229 /nfs/dbraw/zinc/72/92/29/573729229.db2.gz SEVSARUXAFSBHD-SECBINFHSA-N 0 0 196.221 2.302 10 30 AEEERN C=CCC[C@]1(C)CCCC(=O)[C@@H]1O 238488374 573729245 /nfs/dbraw/zinc/72/92/45/573729245.db2.gz WXDRASFDSUJHLK-WDEREUQCSA-N 0 0 182.263 2.073 10 30 AEEERN CSc1c(O)cccc1CC#N 258107734 573729261 /nfs/dbraw/zinc/72/92/61/573729261.db2.gz YOCVACLWLWREFG-UHFFFAOYSA-N 0 0 179.244 2.180 10 30 AEEERN N#Cc1cc2cc(N)c(O)cc2s1 306696049 573729296 /nfs/dbraw/zinc/72/92/96/573729296.db2.gz WTDPLOUKRPWLFH-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=C(C)C#C[C@H](O)C[C@H]1C=CCC1 238057238 573729320 /nfs/dbraw/zinc/72/93/20/573729320.db2.gz KMGNCZZHNUYLRH-RYUDHWBXSA-N 0 0 176.259 2.283 10 30 AEEERN N#C[C@@]12CCC[C@H]1CC(=O)CC2 108285156 573730294 /nfs/dbraw/zinc/73/02/94/573730294.db2.gz KQJNHXGKWNETBJ-WPRPVWTQSA-N 0 0 163.220 2.049 10 30 AEEERN Cc1cc(=O)[nH]c(CC#N)c1C(F)F 238487622 573729360 /nfs/dbraw/zinc/72/93/60/573729360.db2.gz VTAPOLQTFJUYCN-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN N#Cc1ccnn1[C@@H]1CCCC[C@@H]1F 221397784 573729367 /nfs/dbraw/zinc/72/93/67/573729367.db2.gz MUCHUOHCJQMYHS-VHSXEESVSA-N 0 0 193.225 2.208 10 30 AEEERN C=C(C)C#C[C@@H](O)c1ccsc1 238056626 573729419 /nfs/dbraw/zinc/72/94/19/573729419.db2.gz QOQVRGJEYAOYAZ-SNVBAGLBSA-N 0 0 178.256 2.361 10 30 AEEERN C=CC[C@H](C)[C@@H](C)[C@H](C)O 715005110 573729504 /nfs/dbraw/zinc/72/95/04/573729504.db2.gz KHTHJOUASCDKJI-YIZRAAEISA-N 0 0 142.242 2.216 10 30 AEEERN C[C@@]1(CCC#N)CCCC[C@H]1O 238487804 573729539 /nfs/dbraw/zinc/72/95/39/573729539.db2.gz ZLKYXFUDJTWBAV-ZJUUUORDSA-N 0 0 167.252 2.231 10 30 AEEERN CC(=O)C1=C(C)CCC[C@@H]1C#N 238058861 573729543 /nfs/dbraw/zinc/72/95/43/573729543.db2.gz JAUMAHCVSDKRCO-SECBINFHSA-N 0 0 163.220 2.216 10 30 AEEERN C#Cc1ccc(C(F)(F)F)nc1C 238488371 573729555 /nfs/dbraw/zinc/72/95/55/573729555.db2.gz RIKDGPKUYHVVMT-UHFFFAOYSA-N 0 0 185.148 2.390 10 30 AEEERN COc1ccc(C(C)C)c(C#N)c1O 258106284 573729612 /nfs/dbraw/zinc/72/96/12/573729612.db2.gz PEJZNJFEPQVMBV-UHFFFAOYSA-N 0 0 191.230 2.396 10 30 AEEERN C[C@@]1(CC=O)CCCC[C@@]1(C)C=O 238487380 573730328 /nfs/dbraw/zinc/73/03/28/573730328.db2.gz HNAGFPFBSFJBGM-QWRGUYRKSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@H]1CCCCC[C@@H](C#N)C1=O 238487877 573729819 /nfs/dbraw/zinc/72/98/19/573729819.db2.gz NXMXOUJCNASUPJ-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C=CCCC[C@H]1CCNC1=S 238056961 573729852 /nfs/dbraw/zinc/72/98/52/573729852.db2.gz YBYXAWPQOKBWGE-QMMMGPOBSA-N 0 0 169.293 2.280 10 30 AEEERN C[C@@]1(CCC#N)CCCC[C@@H]1O 238487776 573729854 /nfs/dbraw/zinc/72/98/54/573729854.db2.gz ZLKYXFUDJTWBAV-UWVGGRQHSA-N 0 0 167.252 2.231 10 30 AEEERN N#Cc1ccc(N)c2c1SC(=O)C2 306699097 573729987 /nfs/dbraw/zinc/72/99/87/573729987.db2.gz HXRSYDPUHNKEEK-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN O=C[C@@H]1CCC[C@@H]1C(F)(F)F 108285783 573729991 /nfs/dbraw/zinc/72/99/91/573729991.db2.gz SODDPEOYGQGMMT-WDSKDSINSA-N 0 0 166.142 2.164 10 30 AEEERN C=C1C(=O)C=CC(C)(C)C1C(C)=O 238058473 573730027 /nfs/dbraw/zinc/73/00/27/573730027.db2.gz GHALPNIYUQDOCK-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN C=C(C)C#Cc1ccccc1O 238057792 573730049 /nfs/dbraw/zinc/73/00/49/573730049.db2.gz BKALGRDFIFSFBL-UHFFFAOYSA-N 0 0 158.200 2.320 10 30 AEEERN C/C=C(/C)C#C[C@@H](O)/C(C)=C/C 238057982 573730059 /nfs/dbraw/zinc/73/00/59/573730059.db2.gz PLECGDRFPIFIHO-OCMIOQLGSA-N 0 0 164.248 2.283 10 30 AEEERN N#C[C@]12CCC[C@@H]1CC(=O)CC2 108285159 573730101 /nfs/dbraw/zinc/73/01/01/573730101.db2.gz KQJNHXGKWNETBJ-PSASIEDQSA-N 0 0 163.220 2.049 10 30 AEEERN Cc1nccc(C(F)F)c1CC#N 238488294 573730172 /nfs/dbraw/zinc/73/01/72/573730172.db2.gz GHMVTPMBIVZZHQ-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=C[C@H](O)c1cc(OC)ccc1F 143088446 573730173 /nfs/dbraw/zinc/73/01/73/573730173.db2.gz DOIDQCIEGSWLBI-JTQLQIEISA-N 0 0 182.194 2.054 10 30 AEEERN C#CCCc1ccc(NC(C)C)nc1 144783333 573734119 /nfs/dbraw/zinc/73/41/19/573734119.db2.gz JRYOGPBLXWANQM-UHFFFAOYSA-N 0 0 188.274 2.468 10 30 AEEERN CC(C)C1=CC(=O)[C@@H](C)C1 144748772 573734172 /nfs/dbraw/zinc/73/41/72/573734172.db2.gz WFMBSZNDXAIQEM-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC/C(=C/CO)C(F)(F)F 144788572 573732691 /nfs/dbraw/zinc/73/26/91/573732691.db2.gz PKEGJCWHWFAORM-XQRVVYSFSA-N 0 0 166.142 2.044 10 30 AEEERN CC1=CC(=O)C(=O)C(C(C)(C)C)=C1 238489278 573732763 /nfs/dbraw/zinc/73/27/63/573732763.db2.gz HIZVBXUBZXWYKP-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN N#Cc1cnn([C@H]2CCC[C@@H](F)C2)c1 221398654 573732804 /nfs/dbraw/zinc/73/28/04/573732804.db2.gz KQOKMJYBWWXEFK-ZJUUUORDSA-N 0 0 193.225 2.208 10 30 AEEERN Cc1nc([C@@H]2CCCO2)sc1C#N 82420649 573732924 /nfs/dbraw/zinc/73/29/24/573732924.db2.gz VQCFEANQCPYRMA-ZETCQYMHSA-N 0 0 194.259 2.175 10 30 AEEERN Cc1[nH]c(C(C#N)C#N)c(C)c1C 238488657 573732938 /nfs/dbraw/zinc/73/29/38/573732938.db2.gz RROGSIVHSIYARM-UHFFFAOYSA-N 0 0 173.219 2.071 10 30 AEEERN C=CCCC(C)(C)CCO 144712653 573732961 /nfs/dbraw/zinc/73/29/61/573732961.db2.gz ZUYZBQAVXJFCJS-UHFFFAOYSA-N 0 0 142.242 2.361 10 30 AEEERN N#Cc1cnn([C@@H]2CCC[C@H](F)C2)c1 221398496 573733028 /nfs/dbraw/zinc/73/30/28/573733028.db2.gz KQOKMJYBWWXEFK-VHSXEESVSA-N 0 0 193.225 2.208 10 30 AEEERN Cc1cn(C(C)C)c(CS)n1 257851542 573733090 /nfs/dbraw/zinc/73/30/90/573733090.db2.gz BVDXMABHKHXJCD-UHFFFAOYSA-N 0 0 170.281 2.202 10 30 AEEERN Cc1nc(C(F)F)c(C#N)cc1C=O 238489770 573733495 /nfs/dbraw/zinc/73/34/95/573733495.db2.gz XNJWWDILFQKDLG-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN O=C(CCC(F)(F)F)C1=CCCO1 168103346 573733557 /nfs/dbraw/zinc/73/35/57/573733557.db2.gz VLBAQWMZZSWFGI-UHFFFAOYSA-N 0 0 194.152 2.202 10 30 AEEERN C[C@@H](CC=O)c1ccc2c(c1)COC2 258110768 573733608 /nfs/dbraw/zinc/73/36/08/573733608.db2.gz PNIZGOCPFSNJCD-VIFPVBQESA-N 0 0 190.242 2.409 10 30 AEEERN C[C@@]1(CCC=O)CCCCC1=O 238488969 573733654 /nfs/dbraw/zinc/73/36/54/573733654.db2.gz NXYMJFSUTBMLAB-JTQLQIEISA-N 0 0 168.236 2.115 10 30 AEEERN O=CC(F)(F)Cc1ccccc1F 257854048 573733703 /nfs/dbraw/zinc/73/37/03/573733703.db2.gz PNCWHUQLQZIGMD-UHFFFAOYSA-N 0 0 188.148 2.202 10 30 AEEERN CC1=CC(C(C)(C)C)=CC(=O)C1=O 238489633 573733851 /nfs/dbraw/zinc/73/38/51/573733851.db2.gz CVEJSOZLLRZCDG-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN N#Cc1cnn([C@H]2CCCC[C@@H]2F)c1 221398316 573733933 /nfs/dbraw/zinc/73/39/33/573733933.db2.gz MVHIQKOYVRXHJH-UWVGGRQHSA-N 0 0 193.225 2.208 10 30 AEEERN CC(C)C1=CC(=O)[C@H](C)C1 144748957 573733950 /nfs/dbraw/zinc/73/39/50/573733950.db2.gz WFMBSZNDXAIQEM-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C/C(=C\c1ccccc1)C(=O)[C@@H](C)O 144737177 573733975 /nfs/dbraw/zinc/73/39/75/573733975.db2.gz ZTEZUBFBGOVHMO-AAXQSMANSA-N 0 0 190.242 2.040 10 30 AEEERN Cc1cc(C)c(NCC=O)cc1C 258897547 573733982 /nfs/dbraw/zinc/73/39/82/573733982.db2.gz NUPJTPWXRINOMY-UHFFFAOYSA-N 0 0 177.247 2.223 10 30 AEEERN C=CCC[C@@H](C)C[C@H](C[NH3+])CC(=O)[O-] 78174935 573734024 /nfs/dbraw/zinc/73/40/24/573734024.db2.gz LFUPHGVCYOENSK-ZJUUUORDSA-N 0 0 199.294 2.028 10 30 AEEERN COc1ccc2ncc(C#N)c(C)c2c1 257860397 573734189 /nfs/dbraw/zinc/73/41/89/573734189.db2.gz OMVNDWDVHITXBW-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN Cc1nc(C(F)F)c(C#N)cc1F 238489968 573734669 /nfs/dbraw/zinc/73/46/69/573734669.db2.gz HTRDCGDQXJTZMM-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C#CC[C@]1(C)CC[C@H](C)CC1=O 238489944 573734738 /nfs/dbraw/zinc/73/47/38/573734738.db2.gz WBQQOXPMCAAPJL-GXSJLCMTSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCCn1ccc2c1CCCC2=O 69791328 573734817 /nfs/dbraw/zinc/73/48/17/573734817.db2.gz MEFGBTNZRUNYBG-UHFFFAOYSA-N 0 0 187.242 2.030 10 30 AEEERN C=CC(=O)c1c(C)[nH]c(C)c1C 238489867 573734819 /nfs/dbraw/zinc/73/48/19/573734819.db2.gz AEXMKFRRFIVBAV-UHFFFAOYSA-N 0 0 163.220 2.309 10 30 AEEERN C#CCCNC(=O)C[C@@H](C)C(C)(C)C 69791935 573735754 /nfs/dbraw/zinc/73/57/54/573735754.db2.gz ALWMFSWTDUKWKU-SNVBAGLBSA-N 0 0 195.306 2.198 10 30 AEEERN N#C[C@H](N)c1ccc(C2CC2)cc1 87012151 573738178 /nfs/dbraw/zinc/73/81/78/573738178.db2.gz LGDPFQUCGSIXEP-NSHDSACASA-N 0 0 172.231 2.087 10 30 AEEERN C=C(C)C1=CC2(CC2)CC1=O 238074415 573738195 /nfs/dbraw/zinc/73/81/95/573738195.db2.gz PEWTYYNUGMZEOG-UHFFFAOYSA-N 0 0 148.205 2.242 10 30 AEEERN O=CCc1ccc(C2CC2)cc1 87013847 573738198 /nfs/dbraw/zinc/73/81/98/573738198.db2.gz NMXXQSZZQRRTJR-UHFFFAOYSA-N 0 0 160.216 2.305 10 30 AEEERN C=C1C[C@@]1(C)CCCC=O 238489343 573736792 /nfs/dbraw/zinc/73/67/92/573736792.db2.gz JJFAJYYVKZHIMU-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)C1=C(O)C[C@@H]2CCC[C@@H]12 238052930 573736885 /nfs/dbraw/zinc/73/68/85/573736885.db2.gz VZSDHXNFHGJMDX-XXGPSONHSA-N 0 0 166.220 2.208 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1ncccc1F 715006222 573736903 /nfs/dbraw/zinc/73/69/03/573736903.db2.gz SOEJYHCBQCPZMI-KCJUWKMLSA-N 0 0 195.237 2.466 10 30 AEEERN CC(=O)C1=C(O)C[C@@H]2CCC[C@H]12 238052985 573736909 /nfs/dbraw/zinc/73/69/09/573736909.db2.gz VZSDHXNFHGJMDX-WOHCZSAUSA-N 0 0 166.220 2.208 10 30 AEEERN N#C[C@H](N)c1cccc(C2CC2)c1 87012156 573736934 /nfs/dbraw/zinc/73/69/34/573736934.db2.gz LGBIMWCSLRDGKQ-NSHDSACASA-N 0 0 172.231 2.087 10 30 AEEERN C[Si](C)(C)C#C[C@H]1CCC[C@H]1O 197640515 573736944 /nfs/dbraw/zinc/73/69/44/573736944.db2.gz JDIGGKMUXMYUNY-NXEZZACHSA-N 0 0 182.339 2.028 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1ncccc1F 715006224 573736945 /nfs/dbraw/zinc/73/69/45/573736945.db2.gz SOEJYHCBQCPZMI-LDYMZIIASA-N 0 0 195.237 2.466 10 30 AEEERN C[C@@]1(c2ccc(F)cc2)C[C@H]1C=O 238500131 573738222 /nfs/dbraw/zinc/73/82/22/573738222.db2.gz CGHHCBQKWMIUBE-ONGXEEELSA-N 0 0 178.206 2.302 10 30 AEEERN CON=C1[C@@H](C)CCC[C@H]1C 143264503 573737101 /nfs/dbraw/zinc/73/71/01/573737101.db2.gz LAGGJNQCZDYVOO-OCAPTIKFSA-N 0 0 155.241 2.445 10 30 AEEERN C=C(C)[C@H]1CC[C@@H](CO)CC1 143223347 573737111 /nfs/dbraw/zinc/73/71/11/573737111.db2.gz GMYHXOPIKMGWOM-MGCOHNPYSA-N 0 0 154.253 2.361 10 30 AEEERN CN[C@H](C#N)c1ccccc1C1CC1 87015072 573737255 /nfs/dbraw/zinc/73/72/55/573737255.db2.gz YUIDQILZQZUUFG-GFCCVEGCSA-N 0 0 186.258 2.348 10 30 AEEERN COc1c(C#N)ccc(Cl)c1F 258113325 573737360 /nfs/dbraw/zinc/73/73/60/573737360.db2.gz PTIWXEDLRVLVML-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CN(CC(C)(C)C#N)c1cc[nH]c1 258899568 573737378 /nfs/dbraw/zinc/73/73/78/573737378.db2.gz KQHAPDYVYXZHBD-UHFFFAOYSA-N 0 0 177.251 2.001 10 30 AEEERN C[C@@H](CC=O)c1cc(F)ccc1C=O 258113396 573737405 /nfs/dbraw/zinc/73/74/05/573737405.db2.gz PVQUFXCKKLJGHA-QMMMGPOBSA-N 0 0 194.205 2.331 10 30 AEEERN Cc1cc(F)ccc1NC(=O)CS 84003350 573737477 /nfs/dbraw/zinc/73/74/77/573737477.db2.gz CEBOKTYKZYMROA-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN C[C@H](CC=O)c1cc(F)ccc1C=O 258113394 573737493 /nfs/dbraw/zinc/73/74/93/573737493.db2.gz PVQUFXCKKLJGHA-MRVPVSSYSA-N 0 0 194.205 2.331 10 30 AEEERN N#C[C@]12CCCC[C@H]1C[C@H](O)CC2 108292457 573737499 /nfs/dbraw/zinc/73/74/99/573737499.db2.gz BECUHYUSDSFGRL-HBNTYKKESA-N 0 0 179.263 2.231 10 30 AEEERN C=CCC[C@@H]1CC[C@@H](O)[C@@H]1C 224993234 573737508 /nfs/dbraw/zinc/73/75/08/573737508.db2.gz NQGYIJFFMPQBFV-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN COC(CCCC(C)(C)C=O)OC 238333379 573737566 /nfs/dbraw/zinc/73/75/66/573737566.db2.gz VZFSJZXZTCDEAS-UHFFFAOYSA-N 0 0 188.267 2.001 10 30 AEEERN C=C(C)C1=CC(=O)C1(Cl)Cl 238072521 573737623 /nfs/dbraw/zinc/73/76/23/573737623.db2.gz TYTFCGGOWOMOEC-UHFFFAOYSA-N 0 0 177.030 2.246 10 30 AEEERN Cc1cc(C)c(CCC=O)cc1C#N 258113365 573737743 /nfs/dbraw/zinc/73/77/43/573737743.db2.gz PUSUFZNRNZIZKI-UHFFFAOYSA-N 0 0 187.242 2.307 10 30 AEEERN C=C(C)C1CCC(CC(N)=O)CC1 238073865 573737754 /nfs/dbraw/zinc/73/77/54/573737754.db2.gz VDEQLRUAHJLQRR-UHFFFAOYSA-N 0 0 181.279 2.244 10 30 AEEERN CC/C=C\C(=O)c1cncc(OC)c1 308429879 573737761 /nfs/dbraw/zinc/73/77/61/573737761.db2.gz CHSQXBVRYYMWAG-PLNGDYQASA-N 0 0 191.230 2.239 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)/C1=C\C 238074935 573737818 /nfs/dbraw/zinc/73/78/18/573737818.db2.gz SEWYBSGJHBXPBU-OTOXVQDCSA-N 0 0 150.221 2.488 10 30 AEEERN CN[C@@H](C#N)c1ccc(C2CC2)cc1 87012158 573737832 /nfs/dbraw/zinc/73/78/32/573737832.db2.gz DQDAXYOCVLIDGM-LBPRGKRZSA-N 0 0 186.258 2.348 10 30 AEEERN CN[C@H](C#N)c1ccc(C2CC2)cc1 87012159 573737868 /nfs/dbraw/zinc/73/78/68/573737868.db2.gz DQDAXYOCVLIDGM-GFCCVEGCSA-N 0 0 186.258 2.348 10 30 AEEERN N#C[C@]12CCCC[C@H]1C[C@@H](O)CC2 108292452 573738245 /nfs/dbraw/zinc/73/82/45/573738245.db2.gz BECUHYUSDSFGRL-GARJFASQSA-N 0 0 179.263 2.231 10 30 AEEERN C=C(C)C/C=C(/C)CCO 238071257 573737996 /nfs/dbraw/zinc/73/79/96/573737996.db2.gz MGCQCIMQJKJYEC-UITAMQMPSA-N 0 0 140.226 2.281 10 30 AEEERN CN[C@@H](C#N)c1cccc(C2CC2)c1 87012161 573738070 /nfs/dbraw/zinc/73/80/70/573738070.db2.gz BCNBUFWSVFAWOX-LBPRGKRZSA-N 0 0 186.258 2.348 10 30 AEEERN Cc1nc(C(F)F)cc(F)c1C#N 238500250 573738079 /nfs/dbraw/zinc/73/80/79/573738079.db2.gz UAYMKGVXSBTCHW-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C[C@H](CC=O)c1ccc2n[nH]cc2c1 258113413 573738113 /nfs/dbraw/zinc/73/81/13/573738113.db2.gz PWJXDNOISNBIEU-MRVPVSSYSA-N 0 0 188.230 2.255 10 30 AEEERN N#CC[C@H]1CCc2scnc2C1 259619876 573740868 /nfs/dbraw/zinc/74/08/68/573740868.db2.gz GRSDAOKZQXYQGA-SSDOTTSWSA-N 0 0 178.260 2.162 10 30 AEEERN C#C[C@@H](O)C1=C(C(=C)C)CCC1 238072353 573740896 /nfs/dbraw/zinc/74/08/96/573740896.db2.gz QOKARTDFJSQDIR-LLVKDONJSA-N 0 0 162.232 2.037 10 30 AEEERN CC(=O)C1=CCc2ccc(F)cc21 108291240 573741008 /nfs/dbraw/zinc/74/10/08/573741008.db2.gz KOBWLCICPUKXEK-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN C#C[C@H](O)C1=C(C(=C)C)CCCC1 238072239 573740965 /nfs/dbraw/zinc/74/09/65/573740965.db2.gz CWCLZYXCLCOPGZ-LBPRGKRZSA-N 0 0 176.259 2.427 10 30 AEEERN C=C(C)C1=CC(=O)CCC1=C 238072576 573740969 /nfs/dbraw/zinc/74/09/69/573740969.db2.gz MTJFOMIQFSGLAJ-UHFFFAOYSA-N 0 0 148.205 2.408 10 30 AEEERN C=CCNC(=S)c1cccs1 238071477 573739725 /nfs/dbraw/zinc/73/97/25/573739725.db2.gz BYJSIJUOZDIBBA-UHFFFAOYSA-N 0 0 183.301 2.199 10 30 AEEERN CC(=O)C1=CN2CCCC[C@@H]2CC1 238072939 573739733 /nfs/dbraw/zinc/73/97/33/573739733.db2.gz ODZHTVKETFGQGB-LLVKDONJSA-N 0 0 179.263 2.108 10 30 AEEERN CC(C)=C1CCC(=O)CC1=O 238072150 573739793 /nfs/dbraw/zinc/73/97/93/573739793.db2.gz RSDXQOKLJXWCRD-UHFFFAOYSA-N 0 0 152.193 2.128 10 30 AEEERN C=C(C)C1(C=O)CCCC1 238071532 573739851 /nfs/dbraw/zinc/73/98/51/573739851.db2.gz WHMZEKUJBYGQCA-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CCSc1ccncc1[N+](=O)[O-] 308427183 573739856 /nfs/dbraw/zinc/73/98/56/573739856.db2.gz XUCUUVUWHAMBBF-UHFFFAOYSA-N 0 0 196.231 2.268 10 30 AEEERN C[C@@H](C#N)NCC(C)(C)C1CCC1 258898999 573739893 /nfs/dbraw/zinc/73/98/93/573739893.db2.gz XOLPVXDOTYXUQU-VIFPVBQESA-N 0 0 180.295 2.314 10 30 AEEERN C=C(C)CC#C[C@H](O)c1ccco1 238075436 573739906 /nfs/dbraw/zinc/73/99/06/573739906.db2.gz POJVHJSMTZWOTK-JTQLQIEISA-N 0 0 176.215 2.283 10 30 AEEERN OC[C@H](CS)C1CCCCC1 258115509 573739957 /nfs/dbraw/zinc/73/99/57/573739957.db2.gz FOMIUZSJDKLYAT-SECBINFHSA-N 0 0 174.309 2.105 10 30 AEEERN COc1c(C)cc(C#N)c(C)c1OC 258103765 573739966 /nfs/dbraw/zinc/73/99/66/573739966.db2.gz PBKNECBXVYEMHF-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN O=CCc1ccccc1C1CC1 87014862 573740069 /nfs/dbraw/zinc/74/00/69/573740069.db2.gz JCGSOWGXQHHGNM-UHFFFAOYSA-N 0 0 160.216 2.305 10 30 AEEERN CN[C@H](C#N)c1cccc(C2CC2)c1 87012163 573740095 /nfs/dbraw/zinc/74/00/95/573740095.db2.gz BCNBUFWSVFAWOX-GFCCVEGCSA-N 0 0 186.258 2.348 10 30 AEEERN O=C[C@H]1CC=C(C(F)(F)F)CC1 108291776 573740156 /nfs/dbraw/zinc/74/01/56/573740156.db2.gz AVKBPGQMBGPVTB-LURJTMIESA-N 0 0 178.153 2.474 10 30 AEEERN CC(C)[C@@H]1CCCCCN1CC#N 108293401 573740222 /nfs/dbraw/zinc/74/02/22/573740222.db2.gz KNKFEYDMEJPNIZ-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN N#C[C@]12CCCC[C@@H]1CC(=O)CC2 108291714 573740244 /nfs/dbraw/zinc/74/02/44/573740244.db2.gz SLBYFIPMPBOBJP-MWLCHTKSSA-N 0 0 177.247 2.440 10 30 AEEERN C#Cc1ccnc(C(C)(C)C)c1 143284020 573740267 /nfs/dbraw/zinc/74/02/67/573740267.db2.gz FRYRMBKEINOTRT-UHFFFAOYSA-N 0 0 159.232 2.360 10 30 AEEERN CC(=O)OCCC/C=C(\C)CCC=O 308427930 573740280 /nfs/dbraw/zinc/74/02/80/573740280.db2.gz VHNMAPLZAXTQCS-UXBLZVDNSA-N 0 0 198.262 2.255 10 30 AEEERN CC(C)(C=O)c1ccc2c(c1)CCO2 257858583 573740387 /nfs/dbraw/zinc/74/03/87/573740387.db2.gz QMPBCRBJGZZPRY-UHFFFAOYSA-N 0 0 190.242 2.098 10 30 AEEERN CN[C@@H](C#N)c1ccccc1C1CC1 87015070 573740389 /nfs/dbraw/zinc/74/03/89/573740389.db2.gz YUIDQILZQZUUFG-LBPRGKRZSA-N 0 0 186.258 2.348 10 30 AEEERN N#C[C@@H](N)c1ccc(C2CC2)cc1 87012150 573740411 /nfs/dbraw/zinc/74/04/11/573740411.db2.gz LGDPFQUCGSIXEP-LLVKDONJSA-N 0 0 172.231 2.087 10 30 AEEERN O=CCC[C@H](O)c1ccccc1Cl 393589559 573740414 /nfs/dbraw/zinc/74/04/14/573740414.db2.gz KFMXQOUBBWDMBU-JTQLQIEISA-N 0 0 198.649 2.353 10 30 AEEERN O=C[C@@H]1CC=C(C(F)(F)F)CC1 108291779 573740422 /nfs/dbraw/zinc/74/04/22/573740422.db2.gz AVKBPGQMBGPVTB-ZCFIWIBFSA-N 0 0 178.153 2.474 10 30 AEEERN Cc1nc2ccc(NCC#N)cc2o1 258898958 573740423 /nfs/dbraw/zinc/74/04/23/573740423.db2.gz XNEOCAGCWPTLAK-UHFFFAOYSA-N 0 0 187.202 2.072 10 30 AEEERN CC(=O)C1=Cc2ccc(F)cc2C1 108291243 573740459 /nfs/dbraw/zinc/74/04/59/573740459.db2.gz MIEFKNRDBFZCSN-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN CC(=O)C1=CCc2ccccc2C1 238072858 573740469 /nfs/dbraw/zinc/74/04/69/573740469.db2.gz ZBOOAXBDFDCGHS-UHFFFAOYSA-N 0 0 172.227 2.301 10 30 AEEERN Cc1ccc(C[C@@H](C)C=O)s1 84020511 573740588 /nfs/dbraw/zinc/74/05/88/573740588.db2.gz VNRMUGSMIGLPOH-SSDOTTSWSA-N 0 0 168.261 2.434 10 30 AEEERN N#C[C@H](N)c1ccccc1C1CC1 87015068 573740917 /nfs/dbraw/zinc/74/09/17/573740917.db2.gz GGCQZQAQNCATEZ-NSHDSACASA-N 0 0 172.231 2.087 10 30 AEEERN C=C(CC=O)Cc1cccc(O)c1 258102461 573740722 /nfs/dbraw/zinc/74/07/22/573740722.db2.gz HCTQQKKFMYMLJN-UHFFFAOYSA-N 0 0 176.215 2.080 10 30 AEEERN C=C1C(C)=CCC[C@@H]1C(C)=O 238072421 573740812 /nfs/dbraw/zinc/74/08/12/573740812.db2.gz OPRSRLLCYAKGCA-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H](C#N)NCC(C)(C)C1CCC1 258898996 573741105 /nfs/dbraw/zinc/74/11/05/573741105.db2.gz XOLPVXDOTYXUQU-SECBINFHSA-N 0 0 180.295 2.314 10 30 AEEERN C=CC1(NC(C)=O)CCCCC1 238072193 573741114 /nfs/dbraw/zinc/74/11/14/573741114.db2.gz HLTATMPJJCSGRT-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN C[C@@]1(c2ccccc2)C[C@@H]1C=O 238502304 573741203 /nfs/dbraw/zinc/74/12/03/573741203.db2.gz YLWGQJQQDLGSLU-MNOVXSKESA-N 0 0 160.216 2.163 10 30 AEEERN C[Si](C)(C)C#C[C@H]1CCC[C@@H]1O 197640503 573741382 /nfs/dbraw/zinc/74/13/82/573741382.db2.gz JDIGGKMUXMYUNY-ZJUUUORDSA-N 0 0 182.339 2.028 10 30 AEEERN C=C(C)[C@H]1CCC(=O)/C1=C\C 238072850 573741600 /nfs/dbraw/zinc/74/16/00/573741600.db2.gz SEWYBSGJHBXPBU-USYJTPIQSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)C1=CC[C@]1(C)CCO 238073187 573741643 /nfs/dbraw/zinc/74/16/43/573741643.db2.gz HGEQBDYXYFLSGH-SNVBAGLBSA-N 0 0 152.237 2.281 10 30 AEEERN Cc1ccc(CCC=O)s1 84020484 573741700 /nfs/dbraw/zinc/74/17/00/573741700.db2.gz KEVKKQAVCRWYRJ-UHFFFAOYSA-N 0 0 154.234 2.188 10 30 AEEERN CC(=O)C1=Cc2cc(F)ccc2C1 108291237 573741710 /nfs/dbraw/zinc/74/17/10/573741710.db2.gz AOLCNOHBBFLRCI-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN O=CCC[C@@H](O)c1ccccc1Cl 393589560 573741741 /nfs/dbraw/zinc/74/17/41/573741741.db2.gz KFMXQOUBBWDMBU-SNVBAGLBSA-N 0 0 198.649 2.353 10 30 AEEERN CC(C)(C)C(=O)c1cc(C#N)c[nH]1 259619382 573741770 /nfs/dbraw/zinc/74/17/70/573741770.db2.gz HUMCWCOBFGBDQX-UHFFFAOYSA-N 0 0 176.219 2.115 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1cncc(F)c1 715007470 573741778 /nfs/dbraw/zinc/74/17/78/573741778.db2.gz XXSJPHOIAJCZSG-LDYMZIIASA-N 0 0 195.237 2.466 10 30 AEEERN N#CC[C@@H]1CCc2scnc2C1 259619880 573741845 /nfs/dbraw/zinc/74/18/45/573741845.db2.gz GRSDAOKZQXYQGA-ZETCQYMHSA-N 0 0 178.260 2.162 10 30 AEEERN COc1c(C)ccc(F)c1C#N 258103742 573741884 /nfs/dbraw/zinc/74/18/84/573741884.db2.gz YBHGAOMLZRRCIK-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN Cc1ccc2c(C)c(C#N)cn2c1 259619337 573741903 /nfs/dbraw/zinc/74/19/03/573741903.db2.gz HTNYOPADZXEQPX-UHFFFAOYSA-N 0 0 170.215 2.428 10 30 AEEERN C=C(C)[C@H]1C[C@H]2[C@H]3C[C@@H]1C(=O)[C@@]23C 143261778 573741953 /nfs/dbraw/zinc/74/19/53/573741953.db2.gz GWZJPOAPXMSHHQ-LNGZZDABSA-N 0 0 176.259 2.424 10 30 AEEERN CCc1ccsc1C(=O)CC#N 87017150 573742048 /nfs/dbraw/zinc/74/20/48/573742048.db2.gz GSMWCTRKMGKIDH-UHFFFAOYSA-N 0 0 179.244 2.407 10 30 AEEERN C=CCCC(=O)O[C@@H](CC)CC#N 308427501 573742052 /nfs/dbraw/zinc/74/20/52/573742052.db2.gz RUFZBOKBZGUPDX-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN C=C[C@H]([NH3+])c1cnc(C)cc1Cl 238499944 573742094 /nfs/dbraw/zinc/74/20/94/573742094.db2.gz VCZDYPLKWWREIJ-VIFPVBQESA-N 0 0 182.654 2.229 10 30 AEEERN O/N=C/c1ccccc1C1CC1 87015568 573742121 /nfs/dbraw/zinc/74/21/21/573742121.db2.gz BKNAFDVOVRNPGB-YRNVUSSQSA-N 0 0 161.204 2.372 10 30 AEEERN N#C[C@@]12CCCC[C@H]1CC(=O)CC2 108291710 573742145 /nfs/dbraw/zinc/74/21/45/573742145.db2.gz SLBYFIPMPBOBJP-ONGXEEELSA-N 0 0 177.247 2.440 10 30 AEEERN C=CCCC(=O)O[C@H](CC)CC#N 308427498 573742165 /nfs/dbraw/zinc/74/21/65/573742165.db2.gz RUFZBOKBZGUPDX-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN Cc1ccsc1C[C@@H](C)C=O 87023011 573742188 /nfs/dbraw/zinc/74/21/88/573742188.db2.gz SUFKZAWEWZWSDW-SSDOTTSWSA-N 0 0 168.261 2.434 10 30 AEEERN C=CCCC(=O)CC(=C)C 238075653 573742430 /nfs/dbraw/zinc/74/24/30/573742430.db2.gz IALNTPPVDRNFPA-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN N#Cc1cc2c3c([nH]c2cc1N)CCC3 259564020 573744280 /nfs/dbraw/zinc/74/42/80/573744280.db2.gz FJTCXAFJAOIIKD-UHFFFAOYSA-N 0 0 197.241 2.110 10 30 AEEERN C=C(CO)c1cccc(C)c1 238500732 573743222 /nfs/dbraw/zinc/74/32/22/573743222.db2.gz RMXSCAFQWDIIPI-UHFFFAOYSA-N 0 0 148.205 2.001 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1cncc(F)c1 715007431 573743275 /nfs/dbraw/zinc/74/32/75/573743275.db2.gz XXSJPHOIAJCZSG-GZMMTYOYSA-N 0 0 195.237 2.466 10 30 AEEERN CSc1c(O)ccc(CC#N)c1F 258115888 573743306 /nfs/dbraw/zinc/74/33/06/573743306.db2.gz PZSMESSCLGZQKW-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CC[C@@H]1CCC(O)=C(C=O)C1 108300163 573743692 /nfs/dbraw/zinc/74/36/92/573743692.db2.gz BFWWPYKIIAPMPX-UQBZRGDZSA-N 0 0 154.209 2.208 10 30 AEEERN C=C[C@]1(C)C(=O)C[C@@H]1/C=C/C 238061044 573743697 /nfs/dbraw/zinc/74/36/97/573743697.db2.gz FRMHSUBFWOMVDI-KMPJEGIHSA-N 0 0 150.221 2.344 10 30 AEEERN Cc1ccc(C[C@H](C)C=O)s1 84020513 573743451 /nfs/dbraw/zinc/74/34/51/573743451.db2.gz VNRMUGSMIGLPOH-ZETCQYMHSA-N 0 0 168.261 2.434 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1cncc(F)c1 715007448 573743498 /nfs/dbraw/zinc/74/34/98/573743498.db2.gz XXSJPHOIAJCZSG-KCJUWKMLSA-N 0 0 195.237 2.466 10 30 AEEERN Cc1ccc2c(C)c(C(=O)C#N)[nH]c2c1 259564002 573743517 /nfs/dbraw/zinc/74/35/17/573743517.db2.gz FJBFXADKQGRHCI-UHFFFAOYSA-N 0 0 198.225 2.491 10 30 AEEERN Cc1cc(C)c2ncc(CC#N)n2c1 238500518 573744297 /nfs/dbraw/zinc/74/42/97/573744297.db2.gz PZGOWEWUTIOWOH-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1cncc(F)c1 715007469 573743711 /nfs/dbraw/zinc/74/37/11/573743711.db2.gz XXSJPHOIAJCZSG-KWQFWETISA-N 0 0 195.237 2.466 10 30 AEEERN COCc1cccc(/C=C\C(C)=O)c1 214536328 573743869 /nfs/dbraw/zinc/74/38/69/573743869.db2.gz QJNGHUBVLIQPGX-SREVYHEPSA-N 0 0 190.242 2.435 10 30 AEEERN Cc1cc(C(F)F)c(C=O)c(C#N)n1 238500734 573744032 /nfs/dbraw/zinc/74/40/32/573744032.db2.gz GQANQQQCENXPCH-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN COC1CCC(OCCCC#N)CC1 686255040 573744040 /nfs/dbraw/zinc/74/40/40/573744040.db2.gz UTJZWQYZADHPSK-UHFFFAOYSA-N 0 0 197.278 2.264 10 30 AEEERN N#Cc1cc(OCC2CC2)ccc1F 220103234 573744109 /nfs/dbraw/zinc/74/41/09/573744109.db2.gz HPDRGUPGBJVOMS-UHFFFAOYSA-N 0 0 191.205 2.486 10 30 AEEERN CC(=O)C1=C(C)[C@H](C#N)CCC1 238060565 573744136 /nfs/dbraw/zinc/74/41/36/573744136.db2.gz PGHXMPWTGZETCU-VIFPVBQESA-N 0 0 163.220 2.216 10 30 AEEERN C=CC[C@@H]1CC=C[C@@H]1C(C)=O 238069098 573745168 /nfs/dbraw/zinc/74/51/68/573745168.db2.gz MDMRGSSVYAABCA-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN C[Si](C)(C)C#Cc1cocc1C=O 238518269 573745184 /nfs/dbraw/zinc/74/51/84/573745184.db2.gz XMKWOMODMUXAFJ-UHFFFAOYSA-N 0 0 192.290 2.321 10 30 AEEERN Cc1cc(C(F)F)c(C=O)nc1C#N 238501046 573745038 /nfs/dbraw/zinc/74/50/38/573745038.db2.gz GLBCJSKLWACNNX-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=CCC[C@@]12CC[C@@H](C1)C2=O 238062562 573745193 /nfs/dbraw/zinc/74/51/93/573745193.db2.gz UFDBCWYFXSSIIC-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(CCO)c1cccc(C)c1 238500698 573746600 /nfs/dbraw/zinc/74/66/00/573746600.db2.gz CSSJBAKMEHAGGB-UHFFFAOYSA-N 0 0 162.232 2.391 10 30 AEEERN Cc1cnc(C(F)F)c(CC#N)c1 238501843 573746629 /nfs/dbraw/zinc/74/66/29/573746629.db2.gz LPBOOESLGXRNJU-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C[C@]12C=CC(=O)C(=CCC1)C2 238501678 573746689 /nfs/dbraw/zinc/74/66/89/573746689.db2.gz VNPICDQKYYVMBQ-PSASIEDQSA-N 0 0 148.205 2.098 10 30 AEEERN CCOc1ccc(CCC=O)c(F)c1 258115955 573746780 /nfs/dbraw/zinc/74/67/80/573746780.db2.gz QAVQMCXTVZRNIF-UHFFFAOYSA-N 0 0 196.221 2.356 10 30 AEEERN Cc1cc2c(F)cc(C#N)cc2[nH]1 238501700 573746849 /nfs/dbraw/zinc/74/68/49/573746849.db2.gz JZGAQYNKRQYNNO-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1cc(C(F)F)c(C#N)c(F)n1 238498164 573749842 /nfs/dbraw/zinc/74/98/42/573749842.db2.gz ORSUFFDRQQSZIW-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC(=O)C1=CC(=O)C=C(C)C1(C)C 238062808 573749867 /nfs/dbraw/zinc/74/98/67/573749867.db2.gz HLGISRVHAUXFRO-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN CC(=O)C1=CC=CC(C)(C)C1 238063549 573748521 /nfs/dbraw/zinc/74/85/21/573748521.db2.gz MWWZERLTFLMQEP-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1c(C(F)F)cc(C#N)nc1F 238497355 573748555 /nfs/dbraw/zinc/74/85/55/573748555.db2.gz VFVWNMMDNUBHDD-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C[C@@H](C#N)N1C[C@H](C)CC[C@H]1C 84047617 573748584 /nfs/dbraw/zinc/74/85/84/573748584.db2.gz JHLOKJAKPCEYKT-BBBLOLIVSA-N 0 0 166.268 2.019 10 30 AEEERN CC[C@H](C#N)N1C[C@H](C)CC[C@@H]1C 84047648 573748611 /nfs/dbraw/zinc/74/86/11/573748611.db2.gz ZRIGDHHGCXYCTC-OUAUKWLOSA-N 0 0 180.295 2.409 10 30 AEEERN C=C[C@H]1CC(=O)C[C@@H](C)C1 238496759 573748840 /nfs/dbraw/zinc/74/88/40/573748840.db2.gz VFKXASDLWHVPDM-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1cnc(C#N)c(F)c1C(F)F 238497579 573748858 /nfs/dbraw/zinc/74/88/58/573748858.db2.gz DVXWHNANFVZFLN-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1cnc(C#N)cc1C(F)F 238497756 573748918 /nfs/dbraw/zinc/74/89/18/573748918.db2.gz WJFHYNXLARIBPG-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CC(=O)C1=CC=CCC1(C)C 238063644 573748932 /nfs/dbraw/zinc/74/89/32/573748932.db2.gz KXWWFKKMRLQSJK-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]2C#N 238497959 573749003 /nfs/dbraw/zinc/74/90/03/573749003.db2.gz KQFAPUCKBJUVNT-NGZCFLSTSA-N 0 0 175.231 2.071 10 30 AEEERN C=CCCc1ccccc1NC=O 238064693 573749066 /nfs/dbraw/zinc/74/90/66/573749066.db2.gz PWGBXFJNLPDYNL-UHFFFAOYSA-N 0 0 175.231 2.374 10 30 AEEERN C=C[C@@H](O)C1C(C)(C)C1(C)C 122455350 573749104 /nfs/dbraw/zinc/74/91/04/573749104.db2.gz LZJXOSUGZLPOND-SSDOTTSWSA-N 0 0 154.253 2.216 10 30 AEEERN C=C1CC[C@H]2CC(=O)C=C[C@]12C 238497923 573749106 /nfs/dbraw/zinc/74/91/06/573749106.db2.gz QODXZGVPCVSJSO-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN Cc1nc(C(F)F)cc(C#N)c1C=O 238497166 573749172 /nfs/dbraw/zinc/74/91/72/573749172.db2.gz RHPPXFUWXGNYMW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN CC1=CC[C@H](C=O)C[C@@H]1C 238496939 573749180 /nfs/dbraw/zinc/74/91/80/573749180.db2.gz QNNZDYRJSUMMJS-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)c1cscn1 127025094 573749797 /nfs/dbraw/zinc/74/97/97/573749797.db2.gz GSKKXUXPNIZXTG-VXNVDRBHSA-N 0 0 196.275 2.116 10 30 AEEERN C=C1CC[C@@H]2CC(=O)C=C[C@]12C 238497986 573749270 /nfs/dbraw/zinc/74/92/70/573749270.db2.gz QODXZGVPCVSJSO-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C[C@@H]1C=CC(C)(C)[C@H](C=O)C1 238496890 573749275 /nfs/dbraw/zinc/74/92/75/573749275.db2.gz OYQOVFPMKMUIOE-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@@H](C#N)CN(C)c1ccccn1 258907493 573749393 /nfs/dbraw/zinc/74/93/93/573749393.db2.gz FNEUHMOKXLSKNT-JTQLQIEISA-N 0 0 189.262 2.068 10 30 AEEERN CCC[C@H](C#N)[C@H](O)c1cscn1 127024712 573749446 /nfs/dbraw/zinc/74/94/46/573749446.db2.gz GSKKXUXPNIZXTG-APPZFPTMSA-N 0 0 196.275 2.116 10 30 AEEERN C=CCC[C@H]1CC=CCC1=O 238062861 573749451 /nfs/dbraw/zinc/74/94/51/573749451.db2.gz NNZWFEOEEZZMAY-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=CC1=CC[C@H](C=O)C[C@@H]1C 238496957 573749485 /nfs/dbraw/zinc/74/94/85/573749485.db2.gz OKRJZPFDYHXJHM-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN CC(=O)Nc1c(C)cc(C)cc1C#N 238066766 573749522 /nfs/dbraw/zinc/74/95/22/573749522.db2.gz PUFLHPWYJFAVGR-UHFFFAOYSA-N 0 0 188.230 2.134 10 30 AEEERN Cc1cnc(C#N)c(C(F)F)c1 238496902 573749562 /nfs/dbraw/zinc/74/95/62/573749562.db2.gz CRLSGLHKYWBFBP-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C=CCCC(Cl)(Cl)C=O 238496978 573749723 /nfs/dbraw/zinc/74/97/23/573749723.db2.gz RKFVCNRENXECQL-UHFFFAOYSA-N 0 0 167.035 2.325 10 30 AEEERN Cc1ccc(C(=O)C(=O)C(C)C)cc1 238067884 573749755 /nfs/dbraw/zinc/74/97/55/573749755.db2.gz YTUHIJFFAGQIOT-LBPRGKRZSA-N 0 0 190.242 2.174 10 30 AEEERN CC(=O)C/C(C)=N/c1ccccc1N 238078985 573753111 /nfs/dbraw/zinc/75/31/11/573753111.db2.gz UIUDCRNWVZQFAA-MDWZMJQESA-N 0 0 190.246 2.340 10 30 AEEERN C=C[C@@H]1Cc2cc(O)c(C)c(C)c2O1 238497970 573751642 /nfs/dbraw/zinc/75/16/42/573751642.db2.gz IVRKPPNQMAMUGP-SNVBAGLBSA-N 0 0 190.242 2.499 10 30 AEEERN C=C/C=C1\C[C@@H]2C[C@H](C=O)O[C@@]2(C)C1 238499195 573753163 /nfs/dbraw/zinc/75/31/63/573753163.db2.gz YGWWHBQNLGWUGG-ZPAUTFHESA-N 0 0 192.258 2.255 10 30 AEEERN C=CC[C@H]1CCC=C1C(C)=O 238064366 573751721 /nfs/dbraw/zinc/75/17/21/573751721.db2.gz HZAPQBLMBKTHKB-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C/C=C/[C@H]1[C@@H](C=O)C1(C)C 238064523 573751736 /nfs/dbraw/zinc/75/17/36/573751736.db2.gz SKQPUMJYNIIONK-ODAVYXMRSA-N 0 0 138.210 2.034 10 30 AEEERN C=CCC[C@H]1CCC=CC1=O 238063044 573751861 /nfs/dbraw/zinc/75/18/61/573751861.db2.gz KUQMKZXIEOKNRJ-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN Cc1cn([C@H](C#N)CC(C)C)c(=O)[nH]1 259564052 573751882 /nfs/dbraw/zinc/75/18/82/573751882.db2.gz FLAMOWYCDWWYMT-VIFPVBQESA-N 0 0 193.250 2.008 10 30 AEEERN Cc1cn([C@@H](C#N)CC(C)C)c(=O)[nH]1 259564051 573751897 /nfs/dbraw/zinc/75/18/97/573751897.db2.gz FLAMOWYCDWWYMT-SECBINFHSA-N 0 0 193.250 2.008 10 30 AEEERN C/C=C/[C@H]1[C@H](C=O)C1(C)C 238064773 573751915 /nfs/dbraw/zinc/75/19/15/573751915.db2.gz SKQPUMJYNIIONK-VEVSIANRSA-N 0 0 138.210 2.034 10 30 AEEERN C=C(C)C(=O)OC/C(Cl)=C/Cl 238066464 573751988 /nfs/dbraw/zinc/75/19/88/573751988.db2.gz FPOAQVROKGFGBO-UTCJRWHESA-N 0 0 195.045 2.425 10 30 AEEERN CC(=O)CC#CCc1ccccc1 238078204 573753204 /nfs/dbraw/zinc/75/32/04/573753204.db2.gz VXSTUBVNAKMICC-UHFFFAOYSA-N 0 0 172.227 2.212 10 30 AEEERN C=C(C)CC(=O)[C@H](OCC)C1CC1 132185443 573752206 /nfs/dbraw/zinc/75/22/06/573752206.db2.gz QHYQIZDYGYPFRL-LLVKDONJSA-N 0 0 182.263 2.337 10 30 AEEERN CC(=O)[C@H]1CC[C@H](C(C)(C)C=O)C1 238078112 573753211 /nfs/dbraw/zinc/75/32/11/573753211.db2.gz XWDFURAVIZPPFE-UWVGGRQHSA-N 0 0 182.263 2.217 10 30 AEEERN CCc1cc(NCC#N)ccc1OC 258907597 573752274 /nfs/dbraw/zinc/75/22/74/573752274.db2.gz YMUDLFRFLJXRLY-UHFFFAOYSA-N 0 0 190.246 2.193 10 30 AEEERN CC[C@@H](C#N)[C@@H](N)c1ccc(C)o1 259181699 573752330 /nfs/dbraw/zinc/75/23/30/573752330.db2.gz CSXNPIMBUHSNOF-WCBMZHEXSA-N 0 0 178.235 2.138 10 30 AEEERN C[C@@]1([C@H]2C=CCC2)CCC(=O)C1=O 238498726 573752341 /nfs/dbraw/zinc/75/23/41/573752341.db2.gz LNGYPSRUIGKEAE-KWQFWETISA-N 0 0 178.231 2.374 10 30 AEEERN CN(CCC#N)c1ccc(F)c(F)c1 258907114 573753215 /nfs/dbraw/zinc/75/32/15/573753215.db2.gz LNWPRYJJYIWJCH-UHFFFAOYSA-N 0 0 196.200 2.315 10 30 AEEERN Cc1cnc(C(F)F)c(C#N)c1F 238499716 573752591 /nfs/dbraw/zinc/75/25/91/573752591.db2.gz DKLPMWBNIBNNSL-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C=C(Br)C[C@@H](C)C=O 143345713 573752618 /nfs/dbraw/zinc/75/26/18/573752618.db2.gz GMTSYKQXFFOUQG-RXMQYKEDSA-N 0 0 177.041 2.120 10 30 AEEERN COCc1ccccc1/C=C\C(C)=O 214537320 573752825 /nfs/dbraw/zinc/75/28/25/573752825.db2.gz DRFFWXQAUIARFO-FPLPWBNLSA-N 0 0 190.242 2.435 10 30 AEEERN C=CC[C@H](CO)CCCC 143391145 573752835 /nfs/dbraw/zinc/75/28/35/573752835.db2.gz LAMUJAUIMMCRML-VIFPVBQESA-N 0 0 142.242 2.361 10 30 AEEERN C/C=C1\C(=O)C[C@@H]2CCC[C@H]12 238078771 573752907 /nfs/dbraw/zinc/75/29/07/573752907.db2.gz OOKOBJNIAYNUBG-GNZAQCEWSA-N 0 0 150.221 2.322 10 30 AEEERN C#CCN(c1cccc(O)c1)C(C)C 143441692 573752929 /nfs/dbraw/zinc/75/29/29/573752929.db2.gz CGGJHKAMRVMSSX-UHFFFAOYSA-N 0 0 189.258 2.240 10 30 AEEERN C=C(CC(C)=O)[Si](C)(C)C 238079241 573753224 /nfs/dbraw/zinc/75/32/24/573753224.db2.gz VYCXVAFYCWHXDA-UHFFFAOYSA-N 0 0 156.301 2.399 10 30 AEEERN C=C/C=C1\C[C@@H]2C[C@@H](C=O)O[C@@]2(C)C1 238499187 573753225 /nfs/dbraw/zinc/75/32/25/573753225.db2.gz YGWWHBQNLGWUGG-QFKCABGHSA-N 0 0 192.258 2.255 10 30 AEEERN CC#CCC(=O)[C@@H](OC)C(C)(C)C 132200785 573763330 /nfs/dbraw/zinc/76/33/30/573763330.db2.gz SHMRWROMKIPTQM-SNVBAGLBSA-N 0 0 182.263 2.030 10 30 AEEERN CCCCN(C)c1ncc(C#N)s1 258914462 573757636 /nfs/dbraw/zinc/75/76/36/573757636.db2.gz HUVFYTWIYOHYPJ-UHFFFAOYSA-N 0 0 195.291 2.251 10 30 AEEERN Cc1cccc(N(C)CS)c1 258915891 573757650 /nfs/dbraw/zinc/75/76/50/573757650.db2.gz MYPPAGZEXRVGFW-UHFFFAOYSA-N 0 0 167.277 2.319 10 30 AEEERN C=C1CCC[C@]2(C)C(=O)C=C[C@@H]12 238505677 573757725 /nfs/dbraw/zinc/75/77/25/573757725.db2.gz FNTWNBPVORAYOV-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN Cc1ccc([C@H]2O[C@@H]2C)c(O)c1 238505145 573757772 /nfs/dbraw/zinc/75/77/72/573757772.db2.gz CYGPIDDVIFWYQK-XCBNKYQSSA-N 0 0 164.204 2.160 10 30 AEEERN CCOc1ccc(NCC=O)cc1C 258910149 573757798 /nfs/dbraw/zinc/75/77/98/573757798.db2.gz PFCUSKHYJJBPFE-UHFFFAOYSA-N 0 0 193.246 2.005 10 30 AEEERN N#C[C@H]1CCc2c(F)cccc2OC1 259620286 573757851 /nfs/dbraw/zinc/75/78/51/573757851.db2.gz HEVFMKJNGZTTBK-MRVPVSSYSA-N 0 0 191.205 2.290 10 30 AEEERN Cc1cnc(C(F)F)c(F)c1C#N 238505859 573757911 /nfs/dbraw/zinc/75/79/11/573757911.db2.gz YPYSMIYRZNEDOE-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC[C@H](C#N)CN(C)c1cccnc1 258910610 573758064 /nfs/dbraw/zinc/75/80/64/573758064.db2.gz FVJBSXHCDZEEOX-SNVBAGLBSA-N 0 0 189.262 2.068 10 30 AEEERN CC(=N)Nc1c(F)cc(F)cc1F 84057367 573758068 /nfs/dbraw/zinc/75/80/68/573758068.db2.gz IXGQFIBYJLHSBZ-UHFFFAOYSA-N 0 0 188.152 2.113 10 30 AEEERN N#CC1([C@H]2CCCSC2)CC1 259564883 573758089 /nfs/dbraw/zinc/75/80/89/573758089.db2.gz CPUNTXULTVAOSX-QMMMGPOBSA-N 0 0 167.277 2.433 10 30 AEEERN C#CCCCC=C=CC(C)=O 238077701 573758103 /nfs/dbraw/zinc/75/81/03/573758103.db2.gz CYNNOAKBXNLGEW-UHFFFAOYSA-N 0 0 148.205 2.090 10 30 AEEERN C[C@@H](S)c1cc[nH]c1 259181996 573758171 /nfs/dbraw/zinc/75/81/71/573758171.db2.gz KASOHQRMDUHBER-RXMQYKEDSA-N 0 0 127.212 2.006 10 30 AEEERN N#Cc1cnc(N2CCCCC2)s1 258911707 573758305 /nfs/dbraw/zinc/75/83/05/573758305.db2.gz HOCAORPPFPFFON-UHFFFAOYSA-N 0 0 193.275 2.005 10 30 AEEERN C[C@@H]1Cc2ccccc2N1CCS 87055954 573758465 /nfs/dbraw/zinc/75/84/65/573758465.db2.gz GIABXBZAWICEBK-SECBINFHSA-N 0 0 193.315 2.367 10 30 AEEERN C[C@H](S)c1cc[nH]c1 259181998 573758536 /nfs/dbraw/zinc/75/85/36/573758536.db2.gz KASOHQRMDUHBER-YFKPBYRVSA-N 0 0 127.212 2.006 10 30 AEEERN N#CC(=O)C1(Cl)CCCCC1 238505874 573758549 /nfs/dbraw/zinc/75/85/49/573758549.db2.gz AZGRXNCSXMSCCF-UHFFFAOYSA-N 0 0 171.627 2.021 10 30 AEEERN C[C@@]12CC[C@H]3C[C@H]3C1=CC(=O)C2 238506273 573758556 /nfs/dbraw/zinc/75/85/56/573758556.db2.gz YNECJHBMFMKGAH-NMLBEHRDSA-N 0 0 162.232 2.322 10 30 AEEERN C=CC[C@@H]1OC(=O)N[C@@H]1C(C)(C)C 238098215 573758572 /nfs/dbraw/zinc/75/85/72/573758572.db2.gz MTZLCVGJWYMTDA-YUMQZZPRSA-N 0 0 183.251 2.086 10 30 AEEERN Cc1ccc(N)c(C2(C#N)CC2)c1 238506196 573758716 /nfs/dbraw/zinc/75/87/16/573758716.db2.gz RGZZRUCFXYRWHD-UHFFFAOYSA-N 0 0 172.231 2.132 10 30 AEEERN Cc1cc2ccc(CC=O)cc2[nH]1 258120528 573758747 /nfs/dbraw/zinc/75/87/47/573758747.db2.gz PBYOIKRIRDPGCL-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C=C1C[C@@]2(C)CCCC(=O)[C@H]12 238506132 573758834 /nfs/dbraw/zinc/75/88/34/573758834.db2.gz NCBHKVFLTCEQPS-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@]12C=CC(=O)C=C1C=CCC2 238505218 573758886 /nfs/dbraw/zinc/75/88/86/573758886.db2.gz FGQDHYDLPWDBFO-LLVKDONJSA-N 0 0 160.216 2.408 10 30 AEEERN CC[C@@]1(COC)CC[C@](C)(CC#N)O1 308697192 573758917 /nfs/dbraw/zinc/75/89/17/573758917.db2.gz UBHLFWQPGYCRKV-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN C=C1C[C@@]2(C)CCCC(=O)[C@@H]12 238506617 573758957 /nfs/dbraw/zinc/75/89/57/573758957.db2.gz NCBHKVFLTCEQPS-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)CSc1cc(C#N)ncn1 306706366 573758991 /nfs/dbraw/zinc/75/89/91/573758991.db2.gz JOCBXMDGRBUPNI-UHFFFAOYSA-N 0 0 193.275 2.096 10 30 AEEERN CC(C)c1sncc1CC#N 259564814 573759110 /nfs/dbraw/zinc/75/91/10/573759110.db2.gz CPHFPWHPKFPAOG-UHFFFAOYSA-N 0 0 166.249 2.333 10 30 AEEERN CC(C)Cc1ccnc(CCC#N)n1 259183877 573759147 /nfs/dbraw/zinc/75/91/47/573759147.db2.gz VDMZPVDNGBIEAY-UHFFFAOYSA-N 0 0 189.262 2.131 10 30 AEEERN CN(CCC#N)c1cc(F)ccc1F 258914021 573759860 /nfs/dbraw/zinc/75/98/60/573759860.db2.gz MQINJXOLRCHVQC-UHFFFAOYSA-N 0 0 196.200 2.315 10 30 AEEERN Cc1cc(C(F)F)c(F)nc1C#N 238506152 573759236 /nfs/dbraw/zinc/75/92/36/573759236.db2.gz KFODJANGNPAHCH-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC[C@@]1(COC)CC[C@@](C)(CC#N)O1 308697195 573759248 /nfs/dbraw/zinc/75/92/48/573759248.db2.gz UBHLFWQPGYCRKV-QWRGUYRKSA-N 0 0 197.278 2.264 10 30 AEEERN C=C1CCC[C@]2(C)C(=O)C=C[C@H]12 238505892 573759395 /nfs/dbraw/zinc/75/93/95/573759395.db2.gz FNTWNBPVORAYOV-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN O=C1C=C[C@H]2CCCC[C@@]12Cl 238505560 573759431 /nfs/dbraw/zinc/75/94/31/573759431.db2.gz LWGHSYWPSAZEPC-APPZFPTMSA-N 0 0 170.639 2.293 10 30 AEEERN C=CC[C@@H]1C=CC(=O)C2(CCC2)O1 238097686 573759504 /nfs/dbraw/zinc/75/95/04/573759504.db2.gz ZGGMVWSTAUANMN-SECBINFHSA-N 0 0 178.231 2.009 10 30 AEEERN CC(=O)C=C=C[Si](C)(C)C 238077821 573759572 /nfs/dbraw/zinc/75/95/72/573759572.db2.gz HCSVNZAKNKPIPU-UHFFFAOYSA-N 0 0 154.285 2.164 10 30 AEEERN CO[C@@](C)(CC=O)c1ccccc1C 257868130 573759643 /nfs/dbraw/zinc/75/96/43/573759643.db2.gz SLTJPYSHKZQPOT-LBPRGKRZSA-N 0 0 192.258 2.446 10 30 AEEERN N#CCCc1nccc(C2CCC2)n1 259183855 573759710 /nfs/dbraw/zinc/75/97/10/573759710.db2.gz VDDQBVYFHGNIPT-UHFFFAOYSA-N 0 0 187.246 2.200 10 30 AEEERN N#C[C@@H]1CCc2c(F)cccc2OC1 259620289 573759825 /nfs/dbraw/zinc/75/98/25/573759825.db2.gz HEVFMKJNGZTTBK-QMMMGPOBSA-N 0 0 191.205 2.290 10 30 AEEERN Cc1cc(C(F)F)c(F)c(C#N)n1 238505648 573759839 /nfs/dbraw/zinc/75/98/39/573759839.db2.gz MMDJRBPXDWGYHR-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C=CCN(CC)C(=O)NC(C)(C)C 130996244 573763509 /nfs/dbraw/zinc/76/35/09/573763509.db2.gz QICARBPFAPBBIR-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN COCC[C@@]1(C)CC[C@@](C)(CC#N)O1 308709817 573761125 /nfs/dbraw/zinc/76/11/25/573761125.db2.gz YBHOHAFOPKUOBH-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN C=CC[C@@H]1C[C@@H](C=C)CC1=O 238088134 573760708 /nfs/dbraw/zinc/76/07/08/573760708.db2.gz VOMKFXUGEKUPFY-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN CN(CC1(C#N)CCC1)c1ccc[nH]1 258916353 573760807 /nfs/dbraw/zinc/76/08/07/573760807.db2.gz MTBKOJYZBONEFB-UHFFFAOYSA-N 0 0 189.262 2.145 10 30 AEEERN C#CC(C)(C)[C@@H](O)Cc1ccccc1 238089510 573760843 /nfs/dbraw/zinc/76/08/43/573760843.db2.gz LKZCRMSEHJTPMU-LBPRGKRZSA-N 0 0 188.270 2.249 10 30 AEEERN Cc1cccc2c([C@H](N)C#N)ccnc12 259566251 573763523 /nfs/dbraw/zinc/76/35/23/573763523.db2.gz IUCNCSZYNPVJRN-LLVKDONJSA-N 0 0 197.241 2.067 10 30 AEEERN C=CC[C@@H]1CC=CCCC1=O 238086470 573761163 /nfs/dbraw/zinc/76/11/63/573761163.db2.gz BFXJRPDFNWOQSN-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1coc2c(CC=O)cccc12 258122774 573761255 /nfs/dbraw/zinc/76/12/55/573761255.db2.gz PFUWHBAOZSGDII-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C=CC[C@@H]1CCCC2(C1)OCCO2 238086879 573761259 /nfs/dbraw/zinc/76/12/59/573761259.db2.gz JCORHRAPRDQTMZ-SNVBAGLBSA-N 0 0 182.263 2.496 10 30 AEEERN CC(C)(C#N)C1CCC(=O)CC1 238090838 573761303 /nfs/dbraw/zinc/76/13/03/573761303.db2.gz WXTBHXUWWBDFKF-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN C#CC(C)(C)[C@H]1CCCCC1=O 238090083 573761447 /nfs/dbraw/zinc/76/14/47/573761447.db2.gz HKCHLYYJSQFAFL-VIFPVBQESA-N 0 0 164.248 2.405 10 30 AEEERN Cn1c(CC#N)ccc1-c1ccccn1 259620347 573761451 /nfs/dbraw/zinc/76/14/51/573761451.db2.gz HFPUCERJEPWSKE-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN C/N=C1/C(=O)[C@]2(C)CC[C@H]1C2(C)C 238086469 573761533 /nfs/dbraw/zinc/76/15/33/573761533.db2.gz YWKWLWKJEPWPKW-GEQGLWRUSA-N 0 0 179.263 2.082 10 30 AEEERN CC1=Cc2cc(F)ccc2C1=O 238507605 573761540 /nfs/dbraw/zinc/76/15/40/573761540.db2.gz RDTRACOKBDBOPP-UHFFFAOYSA-N 0 0 162.163 2.425 10 30 AEEERN C[C@]12CCCCC1=CC(O)=C(C=O)C2 238507925 573761593 /nfs/dbraw/zinc/76/15/93/573761593.db2.gz KLHGXAOBVRBAET-JOYOIKCWSA-N 0 0 192.258 2.281 10 30 AEEERN C=CC[C@@H]1C[C@H](C=C)CC1=O 238088322 573761637 /nfs/dbraw/zinc/76/16/37/573761637.db2.gz VOMKFXUGEKUPFY-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN COC[C@@]1(C(C)C)CC[C@H](CC#N)O1 308709452 573765837 /nfs/dbraw/zinc/76/58/37/573765837.db2.gz XYBNHHJYUOLODT-GHMZBOCLSA-N 0 0 197.278 2.120 10 30 AEEERN CC(C)(Br)CCC=O 238088789 573761773 /nfs/dbraw/zinc/76/17/73/573761773.db2.gz OCDYTZZIKXYKFD-UHFFFAOYSA-N 0 0 179.057 2.139 10 30 AEEERN Cc1c(F)ccc(C2(C#N)CC2)c1O 238507854 573761778 /nfs/dbraw/zinc/76/17/78/573761778.db2.gz AQXGHEMECHYMGZ-UHFFFAOYSA-N 0 0 191.205 2.395 10 30 AEEERN C=C[C@@H]1CCC(=O)C1(Cl)Cl 238506906 573761813 /nfs/dbraw/zinc/76/18/13/573761813.db2.gz BYJPMPUUNUTGBC-RXMQYKEDSA-N 0 0 179.046 2.325 10 30 AEEERN C[C@H]1Cc2c(CC=O)cccc2S1 258122778 573761816 /nfs/dbraw/zinc/76/18/16/573761816.db2.gz PFVATSAUEVZQDS-QMMMGPOBSA-N 0 0 192.283 2.465 10 30 AEEERN Cc1ccccc1C(F)(F)C=O 258423919 573761831 /nfs/dbraw/zinc/76/18/31/573761831.db2.gz CENYXQSAOCDEKQ-UHFFFAOYSA-N 0 0 170.158 2.286 10 30 AEEERN C=C[C@H]1CCC(=O)C1(Cl)Cl 238506830 573761921 /nfs/dbraw/zinc/76/19/21/573761921.db2.gz BYJPMPUUNUTGBC-YFKPBYRVSA-N 0 0 179.046 2.325 10 30 AEEERN C[C@@H]1Cc2c(CC=O)cccc2S1 258122776 573761924 /nfs/dbraw/zinc/76/19/24/573761924.db2.gz PFVATSAUEVZQDS-MRVPVSSYSA-N 0 0 192.283 2.465 10 30 AEEERN C=CC[C@@H]1C[C@@H]1CCC=O 238088227 573761998 /nfs/dbraw/zinc/76/19/98/573761998.db2.gz OSJFCAWAJCATBB-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1[C@H](C(C)=O)C1(C)C 238088594 573762028 /nfs/dbraw/zinc/76/20/28/573762028.db2.gz DDHSSFXNBYUHKT-YUMQZZPRSA-N 0 0 138.210 2.034 10 30 AEEERN CC(=O)CCC#CC1=CCCC1 238090604 573762207 /nfs/dbraw/zinc/76/22/07/573762207.db2.gz QWDPZQMLFQUACA-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN C#CC(C)(C)[C@@H]1CCCC1=O 238089687 573762214 /nfs/dbraw/zinc/76/22/14/573762214.db2.gz HKUPOYCOHRYABK-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN C=CCC1(CC(C)=O)CC1 238088254 573762238 /nfs/dbraw/zinc/76/22/38/573762238.db2.gz KWSNXZOSNXYKRS-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@]12Nc3ccccc3[C@]1(C)O2 238508044 573762276 /nfs/dbraw/zinc/76/22/76/573762276.db2.gz IXQRCPCXNANNPE-UWVGGRQHSA-N 0 0 161.204 2.074 10 30 AEEERN COC[C@]1(C(C)C)CC[C@H](CC#N)O1 308709457 573762322 /nfs/dbraw/zinc/76/23/22/573762322.db2.gz XYBNHHJYUOLODT-MNOVXSKESA-N 0 0 197.278 2.120 10 30 AEEERN C=C1[C@@H](C(C)=O)[C@H]1C(C)(C)C 238087578 573762338 /nfs/dbraw/zinc/76/23/38/573762338.db2.gz AXNFEWYXAJBXHG-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C#CC(C)(C)[C@@H]1CCCCC1=O 238089737 573762469 /nfs/dbraw/zinc/76/24/69/573762469.db2.gz HKCHLYYJSQFAFL-SECBINFHSA-N 0 0 164.248 2.405 10 30 AEEERN CCN(C)c1[nH]c2ccccc2c1C#N 258919288 573762471 /nfs/dbraw/zinc/76/24/71/573762471.db2.gz WHJDBZHOAYVRGC-UHFFFAOYSA-N 0 0 199.257 2.496 10 30 AEEERN C=CC(=C)CCC(C)=O 238090810 573762515 /nfs/dbraw/zinc/76/25/15/573762515.db2.gz RSKHDXVQTSQBPS-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN COCc1ccc(CCC=O)c(F)c1 258123881 573762712 /nfs/dbraw/zinc/76/27/12/573762712.db2.gz QVEWAKSZRMKIBT-UHFFFAOYSA-N 0 0 196.221 2.104 10 30 AEEERN C=C[C@H]1CC(C)(C)[C@H]1C(C)=O 238087652 573762804 /nfs/dbraw/zinc/76/28/04/573762804.db2.gz QWRQRCNZANUJAR-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN CSc1ccc(CNCC#N)cc1 258918884 573762883 /nfs/dbraw/zinc/76/28/83/573762883.db2.gz ZYQMTCFGHDKMPL-UHFFFAOYSA-N 0 0 192.287 2.022 10 30 AEEERN N#Cc1cc2c(O)ccc(N)c2s1 306706302 573762892 /nfs/dbraw/zinc/76/28/92/573762892.db2.gz PZNQQDHBKNRYBG-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=CC[C@@H]1CCCCCCC(=O)N1 238087037 573762940 /nfs/dbraw/zinc/76/29/40/573762940.db2.gz PWXRGDPHCFUUAD-SNVBAGLBSA-N 0 0 181.279 2.402 10 30 AEEERN C=CC[C@@H]1CCC=C2CCC(=O)N21 238086775 573762954 /nfs/dbraw/zinc/76/29/54/573762954.db2.gz WPPLNQAKUFHARC-SECBINFHSA-N 0 0 177.247 2.231 10 30 AEEERN Cc1cc2c(cc1CCC#N)CCO2 259565911 573763004 /nfs/dbraw/zinc/76/30/04/573763004.db2.gz XFHPFCTZUVXTNG-UHFFFAOYSA-N 0 0 187.242 2.386 10 30 AEEERN N#Cc1cc(F)c(OCF)c(F)c1 306703758 573763025 /nfs/dbraw/zinc/76/30/25/573763025.db2.gz NBURQTQCDWXMAB-UHFFFAOYSA-N 0 0 187.120 2.142 10 30 AEEERN C=C[C@@H]1CC(C)(C)[C@H]1C(C)=O 238088613 573763105 /nfs/dbraw/zinc/76/31/05/573763105.db2.gz QWRQRCNZANUJAR-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN N#Cc1ccc(N)c(Nc2ccc[nH]2)c1 258918832 573763126 /nfs/dbraw/zinc/76/31/26/573763126.db2.gz ZXPWAWTYTPNCPS-UHFFFAOYSA-N 0 0 198.229 2.212 10 30 AEEERN C=CC[C@@H]1CC[C@H]2CC(=O)C=C12 238087859 573763168 /nfs/dbraw/zinc/76/31/68/573763168.db2.gz BZBAXSOOMUSKDN-BDAKNGLRSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC[C@@H]1CC[C@@H]2CC(=O)C=C12 238087700 573763219 /nfs/dbraw/zinc/76/32/19/573763219.db2.gz BZBAXSOOMUSKDN-RKDXNWHRSA-N 0 0 162.232 2.488 10 30 AEEERN C[C@@]12C=CC(=O)C=C1CCC2 238507216 573763228 /nfs/dbraw/zinc/76/32/28/573763228.db2.gz AVAWGUCUMWPLLE-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN C=CC(C)(C)C(=O)/C=C\C 215873037 573763313 /nfs/dbraw/zinc/76/33/13/573763313.db2.gz WDLXPHHTFAXZES-ALCCZGGFSA-N 0 0 138.210 2.344 10 30 AEEERN C#CC(C)(C)[C@H](O)Cc1ccccc1 238089917 573763317 /nfs/dbraw/zinc/76/33/17/573763317.db2.gz LKZCRMSEHJTPMU-GFCCVEGCSA-N 0 0 188.270 2.249 10 30 AEEERN C#CC(C)(C)[C@@H]1C=CC(=O)CC1 238089991 573763496 /nfs/dbraw/zinc/76/34/96/573763496.db2.gz LPFUPSWWVMMJEJ-SECBINFHSA-N 0 0 162.232 2.181 10 30 AEEERN Cc1ccsc1N(C)CCC#N 258930397 573763372 /nfs/dbraw/zinc/76/33/72/573763372.db2.gz OVQKAQKOJLBXKG-UHFFFAOYSA-N 0 0 180.276 2.406 10 30 AEEERN COc1ccccc1[C@]1(C)C[C@@H]1C=O 257869005 573763390 /nfs/dbraw/zinc/76/33/90/573763390.db2.gz SPLHWOLNYSWRAJ-BXKDBHETSA-N 0 0 190.242 2.172 10 30 AEEERN C=C(C)COc1ccc(C#N)cc1O 238091341 573763402 /nfs/dbraw/zinc/76/34/02/573763402.db2.gz BJXYPHPWFBNSOY-UHFFFAOYSA-N 0 0 189.214 2.219 10 30 AEEERN COc1ccccc1[C@]1(C)C[C@H]1C=O 257869007 573763411 /nfs/dbraw/zinc/76/34/11/573763411.db2.gz SPLHWOLNYSWRAJ-JOYOIKCWSA-N 0 0 190.242 2.172 10 30 AEEERN C#CC(C)(C)[C@H]1C=CC(=O)CC1 238089604 573763438 /nfs/dbraw/zinc/76/34/38/573763438.db2.gz LPFUPSWWVMMJEJ-VIFPVBQESA-N 0 0 162.232 2.181 10 30 AEEERN C#CC(C)(C)[C@H]1CCCC1=O 238090053 573763612 /nfs/dbraw/zinc/76/36/12/573763612.db2.gz HKUPOYCOHRYABK-QMMMGPOBSA-N 0 0 150.221 2.015 10 30 AEEERN C=C(C)CC/C=C/CCO 238086529 573764458 /nfs/dbraw/zinc/76/44/58/573764458.db2.gz KGMUAOKSAZHNSO-ONEGZZNKSA-N 0 0 140.226 2.281 10 30 AEEERN C=CC[C@@H]1[C@H]2C=C[C@@H]1[C@@H](C=O)C2 238089600 573764491 /nfs/dbraw/zinc/76/44/91/573764491.db2.gz WLMMWWDXINWHCX-LNFKQOIKSA-N 0 0 162.232 2.200 10 30 AEEERN C=CC[C@H]1C(=O)CC[C@H]1C=C 238089658 573764573 /nfs/dbraw/zinc/76/45/73/573764573.db2.gz JQBLRRQHSWALKV-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@]12CCCCC1=CC(=O)C(=O)C2 238507798 573764600 /nfs/dbraw/zinc/76/46/00/573764600.db2.gz AWNYMPUYZRPOGN-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN C=CC[C@H]1C=CC(=O)C2(CCC2)O1 238091104 573764622 /nfs/dbraw/zinc/76/46/22/573764622.db2.gz ZGGMVWSTAUANMN-VIFPVBQESA-N 0 0 178.231 2.009 10 30 AEEERN C=C[C@@H]1[C@H](C(C)=O)C1(C)C 238087612 573764656 /nfs/dbraw/zinc/76/46/56/573764656.db2.gz DDHSSFXNBYUHKT-SFYZADRCSA-N 0 0 138.210 2.034 10 30 AEEERN C=CC[C@@H]1C[C@H]1CCC=O 238088384 573764725 /nfs/dbraw/zinc/76/47/25/573764725.db2.gz OSJFCAWAJCATBB-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN COCC[C@]1(C)CC[C@@](C)(CC#N)O1 308709815 573764814 /nfs/dbraw/zinc/76/48/14/573764814.db2.gz YBHOHAFOPKUOBH-QWRGUYRKSA-N 0 0 197.278 2.264 10 30 AEEERN CC(C)(C#N)[C@H]1C=CC(=O)CC1 238091227 573764900 /nfs/dbraw/zinc/76/49/00/573764900.db2.gz SQTSXWLFCYTHNS-QMMMGPOBSA-N 0 0 163.220 2.071 10 30 AEEERN O=C1C=C(Cl)C=CCC1 238508131 573764908 /nfs/dbraw/zinc/76/49/08/573764908.db2.gz SCPKLVZVPRUIMH-UHFFFAOYSA-N 0 0 142.585 2.028 10 30 AEEERN C=CC[C@@H]1CCCC(=O)C1=C 238086830 573764916 /nfs/dbraw/zinc/76/49/16/573764916.db2.gz QFNSKIDANWUXQW-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN COC[C@]1(C(C)C)CC[C@@H](CC#N)O1 308709458 573764966 /nfs/dbraw/zinc/76/49/66/573764966.db2.gz XYBNHHJYUOLODT-QWRGUYRKSA-N 0 0 197.278 2.120 10 30 AEEERN C[C@]12CCCC=C1C=CC2=O 238507330 573764995 /nfs/dbraw/zinc/76/49/95/573764995.db2.gz CBXPZFFBRGOARW-JTQLQIEISA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@@H]1OCCCCCC1=O 238089183 573765050 /nfs/dbraw/zinc/76/50/50/573765050.db2.gz JBGSROVBUVRPPO-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CCc1c(C#N)c[nH]c1C(=O)C(C)C 259620371 573765071 /nfs/dbraw/zinc/76/50/71/573765071.db2.gz HFUJCXZLTRLLQT-UHFFFAOYSA-N 0 0 190.246 2.287 10 30 AEEERN CC(C)(C#N)[C@@H]1CC[C@@]1(C)C=O 238091401 573765094 /nfs/dbraw/zinc/76/50/94/573765094.db2.gz LWQLUGHLZYGYGY-WPRPVWTQSA-N 0 0 165.236 2.151 10 30 AEEERN C#CC(C)(C)c1ccc(O)cc1 238090281 573765184 /nfs/dbraw/zinc/76/51/84/573765184.db2.gz BCCVANMUSKLWLB-UHFFFAOYSA-N 0 0 160.216 2.303 10 30 AEEERN C[C@]12CCCCC1=CC(O)=C(C=O)C2 238507887 573765190 /nfs/dbraw/zinc/76/51/90/573765190.db2.gz KLHGXAOBVRBAET-BXKDBHETSA-N 0 0 192.258 2.281 10 30 AEEERN Cc1cccc2c([C@@H](N)C#N)ccnc12 259566254 573765197 /nfs/dbraw/zinc/76/51/97/573765197.db2.gz IUCNCSZYNPVJRN-NSHDSACASA-N 0 0 197.241 2.067 10 30 AEEERN C=C1[C@@H](C(C)=O)[C@@H]1C(C)(C)C 238088561 573765226 /nfs/dbraw/zinc/76/52/26/573765226.db2.gz AXNFEWYXAJBXHG-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC[C@@H]1SCCCC1=O 238089379 573765276 /nfs/dbraw/zinc/76/52/76/573765276.db2.gz PWMJPNKHOMLVRS-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN N#CCc1c[nH]c2cc3c(cc12)OCC3 259566016 573765325 /nfs/dbraw/zinc/76/53/25/573765325.db2.gz XHIXZNMWPGIYIT-UHFFFAOYSA-N 0 0 198.225 2.169 10 30 AEEERN Nc1ccc2[nH]c(CS)cc2c1 258122125 573765458 /nfs/dbraw/zinc/76/54/58/573765458.db2.gz UIBPJWCMRBOSBX-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN Cc1c(C#N)cc2c(c1Cl)OCO2 258123791 573765652 /nfs/dbraw/zinc/76/56/52/573765652.db2.gz QTZIAZNYQTULBU-UHFFFAOYSA-N 0 0 195.605 2.249 10 30 AEEERN Cc1cccc(N(C)CCS)c1 87072943 573765544 /nfs/dbraw/zinc/76/55/44/573765544.db2.gz MYTDQRGWELEGFK-UHFFFAOYSA-N 0 0 181.304 2.361 10 30 AEEERN CC(C)[C@H](C#N)CNc1ccc[nH]1 258927399 573765599 /nfs/dbraw/zinc/76/55/99/573765599.db2.gz HLMJZEYSHIZBKT-SECBINFHSA-N 0 0 177.251 2.222 10 30 AEEERN COc1ccccc1[C@@]1(C)C[C@H]1C=O 257869006 573765626 /nfs/dbraw/zinc/76/56/26/573765626.db2.gz SPLHWOLNYSWRAJ-CABZTGNLSA-N 0 0 190.242 2.172 10 30 AEEERN C=C(C)COc1ccc(CON)cc1 258123901 573765703 /nfs/dbraw/zinc/76/57/03/573765703.db2.gz QVRLBKSJWHUJPP-UHFFFAOYSA-N 0 0 193.246 2.032 10 30 AEEERN C[C@]12CCCC(=O)[C@H]1C[C@@H](C=O)CC2 238506790 573765719 /nfs/dbraw/zinc/76/57/19/573765719.db2.gz ACMYWNLIFSFFDW-HOSYDEDBSA-N 0 0 194.274 2.361 10 30 AEEERN Cc1ccc(N(C)CCS)cc1 87072231 573765724 /nfs/dbraw/zinc/76/57/24/573765724.db2.gz JHRDQSZOTHAKFK-UHFFFAOYSA-N 0 0 181.304 2.361 10 30 AEEERN Cc1ncsc1N=[N+]=[N-] 238508324 573765785 /nfs/dbraw/zinc/76/57/85/573765785.db2.gz HUYCBSYWRWBLML-UHFFFAOYSA-N 0 0 140.171 2.393 10 30 AEEERN C=CC[C@@]12CCCC[C@@H]1CCC(=O)N2 238092086 573765788 /nfs/dbraw/zinc/76/57/88/573765788.db2.gz IUFNYLMEKQQGPM-ZYHUDNBSSA-N 0 0 193.290 2.402 10 30 AEEERN C[C@]1(C#N)C[C@@H]1c1ccc[nH]1 258926899 573765816 /nfs/dbraw/zinc/76/58/16/573765816.db2.gz ABNGMGYGBZJSNF-VXNVDRBHSA-N 0 0 146.193 2.032 10 30 AEEERN COCC[C@@]1(C)CC[C@](C)(CC#N)O1 308709697 573765828 /nfs/dbraw/zinc/76/58/28/573765828.db2.gz YBHOHAFOPKUOBH-GHMZBOCLSA-N 0 0 197.278 2.264 10 30 AEEERN C/C=C\C(=O)C#Cc1ccccc1 205768960 573765861 /nfs/dbraw/zinc/76/58/61/573765861.db2.gz JVFQHXGHLZGVQY-KXFIGUGUSA-N 0 0 170.211 2.183 10 30 AEEERN COCC[C@]1(C)CC[C@](C)(CC#N)O1 308709812 573765867 /nfs/dbraw/zinc/76/58/67/573765867.db2.gz YBHOHAFOPKUOBH-MNOVXSKESA-N 0 0 197.278 2.264 10 30 AEEERN C=CC[C@H]1C(=C)CC(=O)CCC1=O 238093685 573766904 /nfs/dbraw/zinc/76/69/04/573766904.db2.gz NZRGIYNVCLOASC-JTQLQIEISA-N 0 0 178.231 2.057 10 30 AEEERN C=C(C)CSCCC(C)=O 238092077 573765944 /nfs/dbraw/zinc/76/59/44/573765944.db2.gz MSNKYABWPZWCIU-UHFFFAOYSA-N 0 0 158.266 2.275 10 30 AEEERN C[C@]1(C#N)C[C@H]1c1ccc[nH]1 258926898 573766124 /nfs/dbraw/zinc/76/61/24/573766124.db2.gz ABNGMGYGBZJSNF-IONNQARKSA-N 0 0 146.193 2.032 10 30 AEEERN C=CC[C@H](C#N)[C@@H]1CCCC(=O)C1 238092857 573766135 /nfs/dbraw/zinc/76/61/35/573766135.db2.gz SXMAHBSZTNASMB-NXEZZACHSA-N 0 0 177.247 2.462 10 30 AEEERN CC(C)(C#N)c1c(O)cccc1F 238093360 573766217 /nfs/dbraw/zinc/76/62/17/573766217.db2.gz HIVGOIVYPMXKIU-UHFFFAOYSA-N 0 0 179.194 2.332 10 30 AEEERN CC(C)(C)[C@H]1CCC[C@@](N)(C#N)C1 238091452 573766231 /nfs/dbraw/zinc/76/62/31/573766231.db2.gz VJJIGVCRYHUXLW-ONGXEEELSA-N 0 0 180.295 2.444 10 30 AEEERN C=CC[C@H](C#N)[C@H]1CCC(=O)C1 238092877 573766240 /nfs/dbraw/zinc/76/62/40/573766240.db2.gz LJYRWJTWUNGFCL-DTWKUNHWSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@@]12CCCC[C@H]1CCC(=O)N2 238092136 573766250 /nfs/dbraw/zinc/76/62/50/573766250.db2.gz IUFNYLMEKQQGPM-CMPLNLGQSA-N 0 0 193.290 2.402 10 30 AEEERN CC(C)(C#N)c1c(N)cccc1F 238092796 573766286 /nfs/dbraw/zinc/76/62/86/573766286.db2.gz INWGMDBLQQPTML-UHFFFAOYSA-N 0 0 178.210 2.209 10 30 AEEERN CC(C)(C)[C@H]1CC[C@H](C=O)OC1 238094100 573766312 /nfs/dbraw/zinc/76/63/12/573766312.db2.gz SSBIQSOHUIMWHJ-DTWKUNHWSA-N 0 0 170.252 2.027 10 30 AEEERN CN(CCS)c1ccccc1F 87073639 573766449 /nfs/dbraw/zinc/76/64/49/573766449.db2.gz FFMMMLCNYUBXIT-UHFFFAOYSA-N 0 0 185.267 2.192 10 30 AEEERN C=C(C)C[C@H](C#C[Si](C)(C)C)CO 238093333 573766506 /nfs/dbraw/zinc/76/65/06/573766506.db2.gz HYJNVQZULQUHIL-NSHDSACASA-N 0 0 196.366 2.442 10 30 AEEERN C[C@@]1(C#N)C[C@@H]1c1ccc[nH]1 258926893 573766628 /nfs/dbraw/zinc/76/66/28/573766628.db2.gz ABNGMGYGBZJSNF-APPZFPTMSA-N 0 0 146.193 2.032 10 30 AEEERN CC(=O)C1C(=O)CCC=C[C@H]1C 100046706 573766810 /nfs/dbraw/zinc/76/68/10/573766810.db2.gz MPRUABGNDNOMBF-JAGWFPCYSA-N 0 0 166.220 2.374 10 30 AEEERN CC(C)(C#N)[C@H]1CC[C@@]1(C)C=O 238091758 573766827 /nfs/dbraw/zinc/76/68/27/573766827.db2.gz LWQLUGHLZYGYGY-SCZZXKLOSA-N 0 0 165.236 2.151 10 30 AEEERN CN(CCS)c1cccc(F)c1 87073995 573766830 /nfs/dbraw/zinc/76/68/30/573766830.db2.gz YPPIFTUYSBCJHY-UHFFFAOYSA-N 0 0 185.267 2.192 10 30 AEEERN CC(C)(C)[C@H]1CC[C@@H](CC=O)O1 238092549 573767058 /nfs/dbraw/zinc/76/70/58/573767058.db2.gz KTYOBRWFLJCRRO-DTWKUNHWSA-N 0 0 170.252 2.169 10 30 AEEERN Cc1cc2ccc(F)c(C#N)c2[nH]1 238510082 573766973 /nfs/dbraw/zinc/76/69/73/573766973.db2.gz QXZSOPAHJJUGHY-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CC(=O)C1C(=O)CCC=C[C@@H]1C 100046708 573766989 /nfs/dbraw/zinc/76/69/89/573766989.db2.gz MPRUABGNDNOMBF-SGXDDJEGSA-N 0 0 166.220 2.374 10 30 AEEERN CC(C)(C#N)c1cc(O)c(F)c(F)c1 238097396 573769235 /nfs/dbraw/zinc/76/92/35/573769235.db2.gz IKPPTYZWJJPSHI-UHFFFAOYSA-N 0 0 197.184 2.472 10 30 AEEERN C=C(CCO)Cc1cccc(C)c1 258124995 573769209 /nfs/dbraw/zinc/76/92/09/573769209.db2.gz IQQQBYGOBOYDFR-UHFFFAOYSA-N 0 0 176.259 2.476 10 30 AEEERN SCC1(Cn2cccn2)CCCC1 87090928 573769211 /nfs/dbraw/zinc/76/92/11/573769211.db2.gz UDLINUSVMAFHRE-UHFFFAOYSA-N 0 0 196.319 2.373 10 30 AEEERN C=CC(=O)c1occc1Cl 238509091 573768803 /nfs/dbraw/zinc/76/88/03/573768803.db2.gz DTDINZUMZHNSML-UHFFFAOYSA-N 0 0 156.568 2.302 10 30 AEEERN CC(C)COC/C=C/CS 87079435 573768754 /nfs/dbraw/zinc/76/87/54/573768754.db2.gz UBLKZDHWYQWEII-ONEGZZNKSA-N 0 0 160.282 2.145 10 30 AEEERN CC(C)COC[C@@H](C)CS 87079412 573768760 /nfs/dbraw/zinc/76/87/60/573768760.db2.gz DDBWUSALMLIJCZ-MRVPVSSYSA-N 0 0 162.298 2.225 10 30 AEEERN Cc1ccc(F)c(OCCS)c1 87082755 573768783 /nfs/dbraw/zinc/76/87/83/573768783.db2.gz ZZIBBGUPLLGFCT-UHFFFAOYSA-N 0 0 186.251 2.443 10 30 AEEERN SCCOc1cncc(Cl)c1 87082716 573768806 /nfs/dbraw/zinc/76/88/06/573768806.db2.gz JVWNWTNSPSZMIL-UHFFFAOYSA-N 0 0 189.667 2.044 10 30 AEEERN CC[C@H](CS)COC(C)C 87079500 573768839 /nfs/dbraw/zinc/76/88/39/573768839.db2.gz XHQOWSSNSZLREK-QMMMGPOBSA-N 0 0 162.298 2.367 10 30 AEEERN C=C(CC(=O)OC)c1ccccc1F 258124915 573768869 /nfs/dbraw/zinc/76/88/69/573768869.db2.gz IOZLKIALRVEHLD-UHFFFAOYSA-N 0 0 194.205 2.402 10 30 AEEERN COCCCCCCS 87079101 573768944 /nfs/dbraw/zinc/76/89/44/573768944.db2.gz OGRUKCUOVQSDIN-UHFFFAOYSA-N 0 0 148.271 2.123 10 30 AEEERN Cc1cc(C)n(C[C@@H](C)CS)n1 87091196 573768968 /nfs/dbraw/zinc/76/89/68/573768968.db2.gz KPUYHYSDRLCBAB-SSDOTTSWSA-N 0 0 184.308 2.066 10 30 AEEERN C=CC[C@@H]1C(=O)CC[C@H]1C=C 238096112 573769200 /nfs/dbraw/zinc/76/92/00/573769200.db2.gz JQBLRRQHSWALKV-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN N#Cc1c(F)cccc1OCCS 87080660 573769046 /nfs/dbraw/zinc/76/90/46/573769046.db2.gz TXEHUSVPCFMXMS-UHFFFAOYSA-N 0 0 197.234 2.006 10 30 AEEERN C[C@@H](C#N)NC[C@@H](C)c1ccccc1 127073272 573769054 /nfs/dbraw/zinc/76/90/54/573769054.db2.gz ZGJCTKACVJXAGS-MNOVXSKESA-N 0 0 188.274 2.292 10 30 AEEERN CC(C)(C#N)c1cc(F)ccc1C#N 238096780 573769056 /nfs/dbraw/zinc/76/90/56/573769056.db2.gz BJQMUROMRCFXNT-UHFFFAOYSA-N 0 0 188.205 2.499 10 30 AEEERN Cc1cc(C)n(CC(C)(C)CS)n1 87091163 573769084 /nfs/dbraw/zinc/76/90/84/573769084.db2.gz ABIVHDAZQSHXOF-UHFFFAOYSA-N 0 0 198.335 2.456 10 30 AEEERN CC[C@@H](C)OC[C@H](C)CS 87080729 573769092 /nfs/dbraw/zinc/76/90/92/573769092.db2.gz GNNWBSZGBXMVNP-JGVFFNPUSA-N 0 0 162.298 2.367 10 30 AEEERN CC(C)c1nccn1CCCS 87092030 573769106 /nfs/dbraw/zinc/76/91/06/573769106.db2.gz CHCRGXZXENOVGY-UHFFFAOYSA-N 0 0 184.308 2.326 10 30 AEEERN CC(C)(C#N)c1cc(N)cc(F)c1F 238097302 573769166 /nfs/dbraw/zinc/76/91/66/573769166.db2.gz RDLQKEZNHNVIMA-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN CCCCCOCCS 87080516 573770115 /nfs/dbraw/zinc/77/01/15/573770115.db2.gz DLOIDNREGHBXNX-UHFFFAOYSA-N 0 0 148.271 2.123 10 30 AEEERN C=C(C)C[C@@H](O)c1ccc(CO)cc1 238096605 573770049 /nfs/dbraw/zinc/77/00/49/573770049.db2.gz OMVFNKNIVRJGDE-GFCCVEGCSA-N 0 0 192.258 2.179 10 30 AEEERN C/C=C/COC[C@@H](C)CS 87080796 573770059 /nfs/dbraw/zinc/77/00/59/573770059.db2.gz WCJYAYUJGRGWEX-MPJRPATESA-N 0 0 160.282 2.145 10 30 AEEERN C=C(C)C[C@@H]1C=CNC(Cl)=N1 238097126 573770060 /nfs/dbraw/zinc/77/00/60/573770060.db2.gz VATNZCQLWJYNAN-ZETCQYMHSA-N 0 0 170.643 2.033 10 30 AEEERN C=C=C(C)C[C@@H](O)CC(=C)C 238102150 573771512 /nfs/dbraw/zinc/77/15/12/573771512.db2.gz CGDIGOJGIRXGRL-JTQLQIEISA-N 0 0 152.237 2.435 10 30 AEEERN SCCOCc1cccs1 87082174 573771770 /nfs/dbraw/zinc/77/17/70/573771770.db2.gz KAZMLANVGDKJED-UHFFFAOYSA-N 0 0 174.290 2.195 10 30 AEEERN C[C@H](CN[C@H](C)C#N)c1ccccc1 127073699 573771775 /nfs/dbraw/zinc/77/17/75/573771775.db2.gz ZGJCTKACVJXAGS-GHMZBOCLSA-N 0 0 188.274 2.292 10 30 AEEERN CCC[C@@H]1C[C@@]1(C)C#N 258932725 573771103 /nfs/dbraw/zinc/77/11/03/573771103.db2.gz AYSQPMDVZDMZPZ-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN CCC[C@H]1C[C@@]1(C)C#N 258932726 573771119 /nfs/dbraw/zinc/77/11/19/573771119.db2.gz AYSQPMDVZDMZPZ-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN Cc1ccc2[nH]c(C)c(C#N)c2c1O 238508589 573771133 /nfs/dbraw/zinc/77/11/33/573771133.db2.gz CBIFLYPORMTBHL-UHFFFAOYSA-N 0 0 186.214 2.362 10 30 AEEERN CCCCNN=C[C@H](C)CCC#N 308435247 573772351 /nfs/dbraw/zinc/77/23/51/573772351.db2.gz WAWBZVLFGVVZIN-SNVBAGLBSA-N 0 0 181.283 2.302 10 30 AEEERN CCC[C@@H](CS)COCC 87079119 573771207 /nfs/dbraw/zinc/77/12/07/573771207.db2.gz DKJYMEBOZSXFML-MRVPVSSYSA-N 0 0 162.298 2.369 10 30 AEEERN CCOCC[C@@H](C)CCS 87079123 573771211 /nfs/dbraw/zinc/77/12/11/573771211.db2.gz FARIESKUMWMJIE-MRVPVSSYSA-N 0 0 162.298 2.369 10 30 AEEERN CC(C)OCC1(CS)CC1 87079490 573771249 /nfs/dbraw/zinc/77/12/49/573771249.db2.gz YVSJRTPWJFYRKY-UHFFFAOYSA-N 0 0 160.282 2.121 10 30 AEEERN CC(C)C[C@H](C)OCCS 87079666 573771273 /nfs/dbraw/zinc/77/12/73/573771273.db2.gz AJXNWRSZRYEANF-QMMMGPOBSA-N 0 0 162.298 2.367 10 30 AEEERN C=CCCCOCCCS 87082868 573771291 /nfs/dbraw/zinc/77/12/91/573771291.db2.gz DYCLTZHYQYPWNA-UHFFFAOYSA-N 0 0 160.282 2.289 10 30 AEEERN CC(C)(C)OC/C=C/CS 87079948 573771298 /nfs/dbraw/zinc/77/12/98/573771298.db2.gz ZSKIBRLYHHVQIZ-SNAWJCMRSA-N 0 0 160.282 2.288 10 30 AEEERN SCC1(COC2CCC2)CC1 87080846 573771322 /nfs/dbraw/zinc/77/13/22/573771322.db2.gz AYBTUJJNPUNITG-UHFFFAOYSA-N 0 0 172.293 2.266 10 30 AEEERN CC[C@H](C)OC[C@@H](C)CS 87080728 573771345 /nfs/dbraw/zinc/77/13/45/573771345.db2.gz GNNWBSZGBXMVNP-SFYZADRCSA-N 0 0 162.298 2.367 10 30 AEEERN C[C@@H](CS)COC(C)(C)C 87079925 573771396 /nfs/dbraw/zinc/77/13/96/573771396.db2.gz SDSMDIXTSGZIPT-SSDOTTSWSA-N 0 0 162.298 2.367 10 30 AEEERN C=C(Cc1ccccc1F)C(=O)OC 258127653 573772353 /nfs/dbraw/zinc/77/23/53/573772353.db2.gz ITOSKXFVJITZLJ-UHFFFAOYSA-N 0 0 194.205 2.097 10 30 AEEERN C=CCCOC[C@H](C)CS 87077886 573771452 /nfs/dbraw/zinc/77/14/52/573771452.db2.gz ANMGDUWRFULEQK-QMMMGPOBSA-N 0 0 160.282 2.145 10 30 AEEERN C[C@]12CCCC[C@H]1CC(O)=C(C=O)C2 238510972 573771468 /nfs/dbraw/zinc/77/14/68/573771468.db2.gz DLOJNCAGHRZILL-JFGNBEQYSA-N 0 0 194.274 2.361 10 30 AEEERN CC(C)(C)CCOCCS 87083092 573771497 /nfs/dbraw/zinc/77/14/97/573771497.db2.gz BKCJARCBXBRKKN-UHFFFAOYSA-N 0 0 162.298 2.369 10 30 AEEERN CC(C)O/C=C1\C=CC(=O)CC1 224661537 573771498 /nfs/dbraw/zinc/77/14/98/573771498.db2.gz RTLPYSLLCAJDDK-VQHVLOKHSA-N 0 0 166.220 2.214 10 30 AEEERN C/C=C/COC[C@H](C)CS 87080797 573771504 /nfs/dbraw/zinc/77/15/04/573771504.db2.gz WCJYAYUJGRGWEX-RTMURIBGSA-N 0 0 160.282 2.145 10 30 AEEERN CC(=O)[C@]1(C)CCC(C)(C)[C@@H]1C=O 238100267 573771580 /nfs/dbraw/zinc/77/15/80/573771580.db2.gz RSYDURYKFRWTHU-ONGXEEELSA-N 0 0 182.263 2.217 10 30 AEEERN Cc1nccn1CC1(CS)CCC1 87091238 573771590 /nfs/dbraw/zinc/77/15/90/573771590.db2.gz VPUQLZSNRZMFRK-UHFFFAOYSA-N 0 0 196.319 2.292 10 30 AEEERN C#CCN[C@H](CC)c1ncc(C)s1 308436047 573771593 /nfs/dbraw/zinc/77/15/93/573771593.db2.gz WLFJZXBNKRRWDH-SECBINFHSA-N 0 0 194.303 2.125 10 30 AEEERN CCOCC1(CS)CCC1 87079138 573771648 /nfs/dbraw/zinc/77/16/48/573771648.db2.gz TZEFKSJGAODOBZ-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN CCC(CC)(CS)COC 87079102 573771672 /nfs/dbraw/zinc/77/16/72/573771672.db2.gz KYDCNRPOQVOQCT-UHFFFAOYSA-N 0 0 162.298 2.369 10 30 AEEERN CCCOCC(C)(C)CS 87080478 573771676 /nfs/dbraw/zinc/77/16/76/573771676.db2.gz AHERPLHMLQFOOH-UHFFFAOYSA-N 0 0 162.298 2.369 10 30 AEEERN C=CCc1c[nH]c2ccccc2c1=O 238100088 573771681 /nfs/dbraw/zinc/77/16/81/573771681.db2.gz SILONDBTRSEAIP-UHFFFAOYSA-N 0 0 185.226 2.257 10 30 AEEERN CCC[C@H](CS)COCC 87079118 573771690 /nfs/dbraw/zinc/77/16/90/573771690.db2.gz DKJYMEBOZSXFML-QMMMGPOBSA-N 0 0 162.298 2.369 10 30 AEEERN C[C@]12CCCC[C@H]1CC(=O)[C@@H]2C#N 238511007 573771731 /nfs/dbraw/zinc/77/17/31/573771731.db2.gz YKOYDVMTLGFFNE-QXEWZRGKSA-N 0 0 177.247 2.295 10 30 AEEERN C=C1C[C@@H](c2ccc(C)cc2)NC1=O 238510263 573771740 /nfs/dbraw/zinc/77/17/40/573771740.db2.gz NORRZOIZUDFFNS-NSHDSACASA-N 0 0 187.242 2.112 10 30 AEEERN C/N=C(\SC)c1ccc(C)o1 259180969 573772257 /nfs/dbraw/zinc/77/22/57/573772257.db2.gz MBIGSIHDXHGFKX-HJWRWDBZSA-N 0 0 169.249 2.327 10 30 AEEERN CC/C=C\C(=O)c1cc(C)cnc1N 308436488 573771847 /nfs/dbraw/zinc/77/18/47/573771847.db2.gz PVYWVBLUAXUPMZ-PLNGDYQASA-N 0 0 190.246 2.121 10 30 AEEERN C=CCc1ccc2c(c1)NCC2 238100329 573771849 /nfs/dbraw/zinc/77/18/49/573771849.db2.gz JWYVGWGQHNLPLO-UHFFFAOYSA-N 0 0 159.232 2.383 10 30 AEEERN C=CCOCC(C)(C)CS 87078936 573771863 /nfs/dbraw/zinc/77/18/63/573771863.db2.gz XXVLDSUGRUMDPW-UHFFFAOYSA-N 0 0 160.282 2.145 10 30 AEEERN CC(C)(C)OCCCS 87079927 573771868 /nfs/dbraw/zinc/77/18/68/573771868.db2.gz VEWHQDKHOIXHOB-UHFFFAOYSA-N 0 0 148.271 2.121 10 30 AEEERN CC/C=C\C(=O)c1nccn1CCC 308436154 573771942 /nfs/dbraw/zinc/77/19/42/573771942.db2.gz OUWDSXUMHUEEOS-WAYWQWQTSA-N 0 0 192.262 2.442 10 30 AEEERN CCCCOC[C@H](C)CS 87080546 573771966 /nfs/dbraw/zinc/77/19/66/573771966.db2.gz MKXYJKHCXSDXBO-QMMMGPOBSA-N 0 0 162.298 2.369 10 30 AEEERN C=C[C@H](CO)Nc1c(C)cccc1C 238510396 573771985 /nfs/dbraw/zinc/77/19/85/573771985.db2.gz WXBLBHDJVJZMLX-LLVKDONJSA-N 0 0 191.274 2.262 10 30 AEEERN CCCOC[C@@H](CC)CS 87080480 573771989 /nfs/dbraw/zinc/77/19/89/573771989.db2.gz HRMASHHYAAKCAV-MRVPVSSYSA-N 0 0 162.298 2.369 10 30 AEEERN C=CCOC[C@@H](CC)CS 87078939 573772017 /nfs/dbraw/zinc/77/20/17/573772017.db2.gz FIVSESLLVNVWSX-MRVPVSSYSA-N 0 0 160.282 2.145 10 30 AEEERN C=CCc1c[nH]c2ccsc2c1=O 238100149 573772020 /nfs/dbraw/zinc/77/20/20/573772020.db2.gz VCGSILOLTPMVDV-UHFFFAOYSA-N 0 0 191.255 2.318 10 30 AEEERN CC[C@@H](C)OC/C=C/CS 87080775 573772075 /nfs/dbraw/zinc/77/20/75/573772075.db2.gz DEBRQSIXMGFYIV-WTSVBCDHSA-N 0 0 160.282 2.288 10 30 AEEERN C[C@]1(C=O)CCCCCS1 258422333 573772090 /nfs/dbraw/zinc/77/20/90/573772090.db2.gz CCHAFFPHBVGMGG-MRVPVSSYSA-N 0 0 158.266 2.251 10 30 AEEERN CC/C=C\C(=O)c1ccnn1CCC 308435804 573772102 /nfs/dbraw/zinc/77/21/02/573772102.db2.gz OAYSDAOKLUGBQC-WAYWQWQTSA-N 0 0 192.262 2.442 10 30 AEEERN Fc1cccc(OCCS)c1F 87081948 573772142 /nfs/dbraw/zinc/77/21/42/573772142.db2.gz XANFPOSUPONLDO-UHFFFAOYSA-N 0 0 190.214 2.273 10 30 AEEERN C#CC(C)(C)CC#C[C@@H](O)CC(=C)C 238101770 573772161 /nfs/dbraw/zinc/77/21/61/573772161.db2.gz ZDRWQIQXQKYDSZ-GFCCVEGCSA-N 0 0 190.286 2.366 10 30 AEEERN COCC1(CS)CCCC1 87079110 573772183 /nfs/dbraw/zinc/77/21/83/573772183.db2.gz HMWXOCMGVZBXNZ-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN CCc1ccc2ncc(C#N)c(N)c2c1 50842249 573772294 /nfs/dbraw/zinc/77/22/94/573772294.db2.gz VRMPTEQAMMBSNC-UHFFFAOYSA-N 0 0 197.241 2.251 10 30 AEEERN CC(C)(C#N)c1ccc(N)c(F)c1 238099914 573774020 /nfs/dbraw/zinc/77/40/20/573774020.db2.gz XQFGTYUZKARPIS-UHFFFAOYSA-N 0 0 178.210 2.209 10 30 AEEERN C[C@H]1C[C@]1(C#N)c1ccc2c(c1)CCO2 258931807 573774066 /nfs/dbraw/zinc/77/40/66/573774066.db2.gz ATGFXJWJWSVMRF-TVQRCGJNSA-N 0 0 199.253 2.423 10 30 AEEERN C=C[C@](C)(O)Cc1cccs1 689891918 573776127 /nfs/dbraw/zinc/77/61/27/573776127.db2.gz HVWIMTNIQDBLTO-VIFPVBQESA-N 0 0 168.261 2.228 10 30 AEEERN COc1cc(CF)cc(C#N)c1OC 258126482 573775855 /nfs/dbraw/zinc/77/58/55/573775855.db2.gz RBJPAGITSHFVLT-UHFFFAOYSA-N 0 0 195.193 2.045 10 30 AEEERN C=C1C=CCC[C@@]1(C)C(C)=O 238100352 573776228 /nfs/dbraw/zinc/77/62/28/573776228.db2.gz PQZMKZURESTSTB-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@@](C)(O)Cc1cccs1 689891898 573775750 /nfs/dbraw/zinc/77/57/50/573775750.db2.gz HVWIMTNIQDBLTO-SECBINFHSA-N 0 0 168.261 2.228 10 30 AEEERN SCCCSC1CCOCC1 87098695 573775759 /nfs/dbraw/zinc/77/57/59/573775759.db2.gz QZPHOPABDWPRJX-UHFFFAOYSA-N 0 0 192.349 2.219 10 30 AEEERN C#CC(=O)c1ccccc1CC=C 238099532 573775961 /nfs/dbraw/zinc/77/59/61/573775961.db2.gz MEIFVMZETSAIKT-UHFFFAOYSA-N 0 0 170.211 2.231 10 30 AEEERN Cc1nn(CCS)c(C)c1Cl 87092820 573776087 /nfs/dbraw/zinc/77/60/87/573776087.db2.gz XYONRJNOFQBINF-UHFFFAOYSA-N 0 0 190.699 2.083 10 30 AEEERN C=C(C)C[C@H](O)C#Cc1ccccc1 238101888 573776183 /nfs/dbraw/zinc/77/61/83/573776183.db2.gz JUNYQVDQPNBOAJ-CYBMUJFWSA-N 0 0 186.254 2.365 10 30 AEEERN Cc1cnn(CC2(CS)CCC2)c1 87092652 573776206 /nfs/dbraw/zinc/77/62/06/573776206.db2.gz ZTVLQMFQNUJXRD-UHFFFAOYSA-N 0 0 196.319 2.292 10 30 AEEERN CCSC[C@@H](C)CS 87097213 573776208 /nfs/dbraw/zinc/77/62/08/573776208.db2.gz IPVXPYYYCNJRPT-LURJTMIESA-N 0 0 150.312 2.305 10 30 AEEERN C#CC[C@@H]1[C@H](C=C)CCC[C@@H]1C=O 238107857 573777206 /nfs/dbraw/zinc/77/72/06/573777206.db2.gz LDJSJALSDCXEJI-IJLUTSLNSA-N 0 0 176.259 2.427 10 30 AEEERN Cc1ccc([C@@]2(C)C[C@H]2C#N)o1 258936077 573777419 /nfs/dbraw/zinc/77/74/19/573777419.db2.gz BOYRGHFYKGTVOR-WPRPVWTQSA-N 0 0 161.204 2.389 10 30 AEEERN CC(C)C1C(=O)C(=O)CC[C@@H]1C 238106426 573777456 /nfs/dbraw/zinc/77/74/56/573777456.db2.gz JNTNWHKEFPJJRT-ZETCQYMHSA-N 0 0 168.236 2.454 10 30 AEEERN C#CC[C@@H]1C(=O)CCC[C@H]1C=C 238107356 573777168 /nfs/dbraw/zinc/77/71/68/573777168.db2.gz OFYYKXTXNDQDIL-ZJUUUORDSA-N 0 0 162.232 2.181 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1C=NN 401901467 573777226 /nfs/dbraw/zinc/77/72/26/573777226.db2.gz MORNPOKUOAVGKH-RKDXNWHRSA-N 0 0 154.257 2.147 10 30 AEEERN C=CC[C@@H](O)C(=C)C#C[Si](C)(C)C 238512809 573777273 /nfs/dbraw/zinc/77/72/73/573777273.db2.gz FRSDHOCXJMZDFW-LLVKDONJSA-N 0 0 194.350 2.360 10 30 AEEERN C/C=C\C(=O)/C=C/CC 205766531 573777325 /nfs/dbraw/zinc/77/73/25/573777325.db2.gz HIHGJPMEFFCGEZ-XGXWUAJZSA-N 0 0 124.183 2.098 10 30 AEEERN C=C[C@@H]1CCC(=O)c2cccn21 238107152 573777347 /nfs/dbraw/zinc/77/73/47/573777347.db2.gz RGTVMTCQOUAYCB-MRVPVSSYSA-N 0 0 161.204 2.192 10 30 AEEERN O=C[C@@H]1CCCc2ccc(F)cc21 108369238 573777367 /nfs/dbraw/zinc/77/73/67/573777367.db2.gz PCJNWMBJSWJFKR-VIFPVBQESA-N 0 0 178.206 2.445 10 30 AEEERN O=C[C@@H]1CCCc2cccc(F)c21 108369249 573778233 /nfs/dbraw/zinc/77/82/33/573778233.db2.gz JDNSEEBTYCWCBX-VIFPVBQESA-N 0 0 178.206 2.445 10 30 AEEERN C[C@H]1CCC[C@@H](C)[C@H]1C=O 100208430 573777514 /nfs/dbraw/zinc/77/75/14/573777514.db2.gz XXGMGNSKVTYPDN-AYMMMOKOSA-N 0 0 140.226 2.258 10 30 AEEERN C=CC[C@@H](C)[C@@H](CC)CO 715011129 573777551 /nfs/dbraw/zinc/77/75/51/573777551.db2.gz SEYYCXYZVZRJTO-BDAKNGLRSA-N 0 0 142.242 2.217 10 30 AEEERN Fc1cccc(SC[C@@H]2CO2)c1 87112026 573777553 /nfs/dbraw/zinc/77/75/53/573777553.db2.gz ATOBTGHDNUZYKP-QMMMGPOBSA-N 0 0 184.235 2.317 10 30 AEEERN C=C1C[C@@]2(C(C)=O)CCC[C@@H]12 238107981 573777623 /nfs/dbraw/zinc/77/76/23/573777623.db2.gz OWVFHTRWIABDBS-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)C1=CC(=O)[C@@H](C)[C@H]1C 238107336 573777665 /nfs/dbraw/zinc/77/76/65/573777665.db2.gz DHQCOZFQOYWYJT-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN N#C[C@@H]1CCc2c(F)cccc2C1 108368762 573777666 /nfs/dbraw/zinc/77/76/66/573777666.db2.gz NANYJHWGWDBCON-MRVPVSSYSA-N 0 0 175.206 2.454 10 30 AEEERN Cc1cc(C(F)F)nc(C#N)c1C=O 238513096 573777671 /nfs/dbraw/zinc/77/76/71/573777671.db2.gz BMNQSZMIEMCPAG-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C[Si](C)(C)C#CC1=C(CO)CCC1 238513351 573777695 /nfs/dbraw/zinc/77/76/95/573777695.db2.gz FBQPOKOHPGVAGQ-UHFFFAOYSA-N 0 0 194.350 2.340 10 30 AEEERN CC[C@H]1CCCC[C@@H]1C=NN 401901458 573777704 /nfs/dbraw/zinc/77/77/04/573777704.db2.gz MORNPOKUOAVGKH-DTWKUNHWSA-N 0 0 154.257 2.147 10 30 AEEERN CC(C)=C1CCC(=O)[C@@](C)(C=O)C1 238120242 573777811 /nfs/dbraw/zinc/77/78/11/573777811.db2.gz UEOQSLUZXPEMKN-LLVKDONJSA-N 0 0 180.247 2.281 10 30 AEEERN C#C[C@@H]1[C@H](CCC(C)=O)C1(C)C 238105880 573777828 /nfs/dbraw/zinc/77/78/28/573777828.db2.gz CCSQBDGJZXSDTN-ZJUUUORDSA-N 0 0 164.248 2.261 10 30 AEEERN Cc1cc(C(F)F)cnc1CC#N 238512084 573777952 /nfs/dbraw/zinc/77/79/52/573777952.db2.gz DNRKBWNJMFZBIO-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=CC[C@@H](C)[C@H](CC)CO 715011197 573777979 /nfs/dbraw/zinc/77/79/79/573777979.db2.gz SEYYCXYZVZRJTO-RKDXNWHRSA-N 0 0 142.242 2.217 10 30 AEEERN Cc1cc(C(F)F)nc(C#N)c1F 238513247 573778004 /nfs/dbraw/zinc/77/80/04/573778004.db2.gz DKJJCTFIXONNCO-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN CC(C)C1=CC(=O)[C@H]2[C@@H]1C2(C)C 238107775 573778006 /nfs/dbraw/zinc/77/80/06/573778006.db2.gz ANZBILKKGORUFP-ZJUUUORDSA-N 0 0 164.248 2.424 10 30 AEEERN C#C[C@@](O)(/C=C/Cl)C(C)(C)C 238107191 573778066 /nfs/dbraw/zinc/77/80/66/573778066.db2.gz LYGSDSOXSUNBHV-XCODYQFDSA-N 0 0 172.655 2.149 10 30 AEEERN N#C[C@@H]1CCc2ccc(F)cc2C1 108368766 573778075 /nfs/dbraw/zinc/77/80/75/573778075.db2.gz ZCSXGMNGYCFPPC-MRVPVSSYSA-N 0 0 175.206 2.454 10 30 AEEERN C=C[C@@H]1C[C@@H](C=C)C[C@@H]1C=O 238109080 573778228 /nfs/dbraw/zinc/77/82/28/573778228.db2.gz AMCGNNUIRVFOGD-OPRDCNLKSA-N 0 0 150.221 2.200 10 30 AEEERN C#C[C@H]1[C@H](CCC(C)=O)C1(C)C 238105966 573778115 /nfs/dbraw/zinc/77/81/15/573778115.db2.gz CCSQBDGJZXSDTN-UWVGGRQHSA-N 0 0 164.248 2.261 10 30 AEEERN CC(C)C1CC(C)(C)C(=O)C1=O 238106353 573778122 /nfs/dbraw/zinc/77/81/22/573778122.db2.gz IEUJCUITFSVNSW-UHFFFAOYSA-N 0 0 168.236 2.454 10 30 AEEERN Cc1ccc([C@]2(C)C[C@@H]2C#N)o1 258936065 573778174 /nfs/dbraw/zinc/77/81/74/573778174.db2.gz BOYRGHFYKGTVOR-PSASIEDQSA-N 0 0 161.204 2.389 10 30 AEEERN N#C[C@@H]1CCCc2nc(C3CC3)cn21 259619934 573778178 /nfs/dbraw/zinc/77/81/78/573778178.db2.gz GSBKKXRDGBJHBL-VIFPVBQESA-N 0 0 187.246 2.161 10 30 AEEERN C=C[C@H]1CC(=O)C[C@H](C=C)C1 238109051 573778216 /nfs/dbraw/zinc/77/82/16/573778216.db2.gz ZAPMFXBEMINWBJ-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H]1CC[C@@H]2C(=O)CC[C@@H]12 238108570 573779492 /nfs/dbraw/zinc/77/94/92/573779492.db2.gz IJVJWLNYDMGSKD-VGMNWLOBSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(CC=O)c1cccc(F)c1 258118515 573779124 /nfs/dbraw/zinc/77/91/24/573779124.db2.gz IGMQSVKYEUBEBF-UHFFFAOYSA-N 0 0 164.179 2.428 10 30 AEEERN C[Si](C)(C)C#CC1=C[C@@H](O)CCC1 238513416 573779133 /nfs/dbraw/zinc/77/91/33/573779133.db2.gz VFVYEHHSUVAKGB-NSHDSACASA-N 0 0 194.350 2.338 10 30 AEEERN CC(C)C1C(=O)C(=O)CC[C@H]1C 238106447 573779186 /nfs/dbraw/zinc/77/91/86/573779186.db2.gz JNTNWHKEFPJJRT-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 AEEERN CC(C)C1=CC(=O)[C@]2(C)C[C@H]12 238107881 573779190 /nfs/dbraw/zinc/77/91/90/573779190.db2.gz QNATXYMQRBUFPK-PSASIEDQSA-N 0 0 150.221 2.178 10 30 AEEERN CC[C@@H]1CCCC[C@H]1C=NN 401901455 573779199 /nfs/dbraw/zinc/77/91/99/573779199.db2.gz MORNPOKUOAVGKH-BDAKNGLRSA-N 0 0 154.257 2.147 10 30 AEEERN C=C[C@@H]1CCC[C@H]2C(=O)C=C[C@H]12 238107781 573779240 /nfs/dbraw/zinc/77/92/40/573779240.db2.gz OTDHAQNWKYIGRI-OPRDCNLKSA-N 0 0 162.232 2.344 10 30 AEEERN Cc1ccc2c(c1)CC[C@H](C=O)C2 108368689 573779208 /nfs/dbraw/zinc/77/92/08/573779208.db2.gz STGLRKCGGXDIFF-JTQLQIEISA-N 0 0 174.243 2.299 10 30 AEEERN CC(C)C1=CC(=O)[C@@H](C)[C@@H]1C 238107273 573779232 /nfs/dbraw/zinc/77/92/32/573779232.db2.gz DHQCOZFQOYWYJT-YUMQZZPRSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@]1(C#N)C[C@H]1c1ccncc1 258937762 573779241 /nfs/dbraw/zinc/77/92/41/573779241.db2.gz BYQNMFCEGJUNFQ-UWVGGRQHSA-N 0 0 158.204 2.099 10 30 AEEERN C=C1C[C@@H]2CCC[C@]12C(C)=O 238108061 573779381 /nfs/dbraw/zinc/77/93/81/573779381.db2.gz DLIXSJYBNHGMEV-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1cn(C)c2cc(CC=O)ccc12 258118341 573779430 /nfs/dbraw/zinc/77/94/30/573779430.db2.gz PATPLBQEGXNAKY-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN Cc1ccc2c(c1)CC[C@@H](C=O)C2 108368691 573779590 /nfs/dbraw/zinc/77/95/90/573779590.db2.gz STGLRKCGGXDIFF-SNVBAGLBSA-N 0 0 174.243 2.299 10 30 AEEERN Cn1cc(CS)c2cccc(O)c21 257877132 573779594 /nfs/dbraw/zinc/77/95/94/573779594.db2.gz JKJOGUDLINBODB-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN O=C[C@@H]1CCCc2cc(O)ccc21 108368939 573779633 /nfs/dbraw/zinc/77/96/33/573779633.db2.gz UYXAPWKBXUVOPM-VIFPVBQESA-N 0 0 176.215 2.011 10 30 AEEERN CC(C)C1=CC(=O)[C@@H](C)[C@H](C#N)C1 238107295 573779664 /nfs/dbraw/zinc/77/96/64/573779664.db2.gz IFKXAARVLHWJDW-WPRPVWTQSA-N 0 0 177.247 2.317 10 30 AEEERN C=CC[C@H](C)[C@@H](CC)CO 715011132 573779750 /nfs/dbraw/zinc/77/97/50/573779750.db2.gz SEYYCXYZVZRJTO-IUCAKERBSA-N 0 0 142.242 2.217 10 30 AEEERN CC(C)C1=CC(=O)C[C@H]1C 238107038 573779844 /nfs/dbraw/zinc/77/98/44/573779844.db2.gz WHOYRQKQMZMTHH-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)C1=CC(=O)[C@@]2(C)C[C@@H]12 238107523 573779852 /nfs/dbraw/zinc/77/98/52/573779852.db2.gz QNATXYMQRBUFPK-WPRPVWTQSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)(S)Cc1cccnc1 258940000 573779858 /nfs/dbraw/zinc/77/98/58/573779858.db2.gz YDILHJVEOGBFCB-UHFFFAOYSA-N 0 0 167.277 2.333 10 30 AEEERN C=C[C@@H]1CC=CC[C@H]1CC=O 238106968 573779873 /nfs/dbraw/zinc/77/98/73/573779873.db2.gz WNLPXMJASJENCN-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H]1CCCC(=O)[C@H]1C=C 238107337 573779907 /nfs/dbraw/zinc/77/99/07/573779907.db2.gz VPILMPIEEPWFGA-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@@H](CC#N)Sc1ccncc1 87110263 573779918 /nfs/dbraw/zinc/77/99/18/573779918.db2.gz VNHDBBVJNFLIKA-QMMMGPOBSA-N 0 0 178.260 2.476 10 30 AEEERN C=CC(=O)c1cc(Cl)co1 238513605 573779957 /nfs/dbraw/zinc/77/99/57/573779957.db2.gz LXTCUFQBWUNLKC-UHFFFAOYSA-N 0 0 156.568 2.302 10 30 AEEERN C[C@]1(C#N)C[C@H]1c1ccncc1 258937764 573779982 /nfs/dbraw/zinc/77/99/82/573779982.db2.gz BYQNMFCEGJUNFQ-VHSXEESVSA-N 0 0 158.204 2.099 10 30 AEEERN C[C@]12CCCC[C@H]1[C@@]2(Cl)C=O 238512151 573779992 /nfs/dbraw/zinc/77/99/92/573779992.db2.gz JNMQWVVVNRFDGJ-VGMNWLOBSA-N 0 0 172.655 2.373 10 30 AEEERN SCCSc1ccncc1 87111273 573780022 /nfs/dbraw/zinc/78/00/22/573780022.db2.gz DFDPBTAULWQPOA-UHFFFAOYSA-N 0 0 171.290 2.104 10 30 AEEERN CC(C)C1=CC(=O)C[C@@H]1C 238106984 573780082 /nfs/dbraw/zinc/78/00/82/573780082.db2.gz WHOYRQKQMZMTHH-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN N#C[C@@H]1CC[C@@H](c2ccccc2)NC1 258938114 573780093 /nfs/dbraw/zinc/78/00/93/573780093.db2.gz WUTKBZSECAVNPY-JQWIXIFHSA-N 0 0 186.258 2.251 10 30 AEEERN CC(C)C1=CC(=O)[C@H](C)[C@H]1C 238107673 573780095 /nfs/dbraw/zinc/78/00/95/573780095.db2.gz DHQCOZFQOYWYJT-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN O=C[C@@H]1CCCc2c(F)cccc21 108369212 573780107 /nfs/dbraw/zinc/78/01/07/573780107.db2.gz HODJRDGAZKCTIU-QMMMGPOBSA-N 0 0 178.206 2.445 10 30 AEEERN C=C(C)Cc1cc(N)cc(O)c1 238106783 573780257 /nfs/dbraw/zinc/78/02/57/573780257.db2.gz LTGMMMJVHNGMEX-UHFFFAOYSA-N 0 0 163.220 2.093 10 30 AEEERN CC(C)/C=C1/CCC=CC1=O 100218851 573780316 /nfs/dbraw/zinc/78/03/16/573780316.db2.gz HOIPQGISWKTMJT-CLFYSBASSA-N 0 0 150.221 2.488 10 30 AEEERN N#C[C@H]1CCc2c(F)cccc2C1 108368759 573780320 /nfs/dbraw/zinc/78/03/20/573780320.db2.gz NANYJHWGWDBCON-QMMMGPOBSA-N 0 0 175.206 2.454 10 30 AEEERN CC(C)C1=CC(=O)[C@H](C)[C@@H]1C 238107610 573780331 /nfs/dbraw/zinc/78/03/31/573780331.db2.gz DHQCOZFQOYWYJT-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN O=C[C@H]1CCCc2cccc(F)c21 108369251 573780395 /nfs/dbraw/zinc/78/03/95/573780395.db2.gz JDNSEEBTYCWCBX-SECBINFHSA-N 0 0 178.206 2.445 10 30 AEEERN SCCCSc1ccncc1 87111272 573780414 /nfs/dbraw/zinc/78/04/14/573780414.db2.gz JZJRVJUDPZRZDI-UHFFFAOYSA-N 0 0 185.317 2.494 10 30 AEEERN N#C[C@H]1CCCc2nc(C3CC3)cn21 259619930 573780428 /nfs/dbraw/zinc/78/04/28/573780428.db2.gz GSBKKXRDGBJHBL-SECBINFHSA-N 0 0 187.246 2.161 10 30 AEEERN CC(C)(C)[C@](O)(C=O)c1ccccc1 238106918 573780430 /nfs/dbraw/zinc/78/04/30/573780430.db2.gz QEUFWUPOKJZZOM-LBPRGKRZSA-N 0 0 192.258 2.119 10 30 AEEERN C=C[C@@H]1CCCC(=O)[C@@H]1C=C 238107287 573780434 /nfs/dbraw/zinc/78/04/34/573780434.db2.gz VPILMPIEEPWFGA-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C[Si](C)(C)C#CC1=C[C@H](O)CCC1 238513438 573780438 /nfs/dbraw/zinc/78/04/38/573780438.db2.gz VFVYEHHSUVAKGB-LLVKDONJSA-N 0 0 194.350 2.338 10 30 AEEERN C[C@@H](C#N)CSc1ccncc1 87110257 573780462 /nfs/dbraw/zinc/78/04/62/573780462.db2.gz IEEVSWHTZAXOCS-QMMMGPOBSA-N 0 0 178.260 2.333 10 30 AEEERN C[C@@H]1C[C@H]2C[C@H](C=CC2=O)C1 238512686 573780478 /nfs/dbraw/zinc/78/04/78/573780478.db2.gz FCQUDKAEQKKNRJ-YIZRAAEISA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@@H]1CC2=C(C1)C(=O)CC2 238106903 573780486 /nfs/dbraw/zinc/78/04/86/573780486.db2.gz ZQMOLLZZKRJCHA-SSDOTTSWSA-N 0 0 148.205 2.242 10 30 AEEERN C=C[C@@H]1CCC[C@@H]2C(=O)C=C[C@H]12 238107940 573780501 /nfs/dbraw/zinc/78/05/01/573780501.db2.gz OTDHAQNWKYIGRI-BBBLOLIVSA-N 0 0 162.232 2.344 10 30 AEEERN O=C[C@H]1CCCc2cc(O)ccc21 108368937 573780502 /nfs/dbraw/zinc/78/05/02/573780502.db2.gz UYXAPWKBXUVOPM-SECBINFHSA-N 0 0 176.215 2.011 10 30 AEEERN N#C[C@@H]1CC[C@H](c2ccccc2)NC1 258938111 573780961 /nfs/dbraw/zinc/78/09/61/573780961.db2.gz WUTKBZSECAVNPY-CMPLNLGQSA-N 0 0 186.258 2.251 10 30 AEEERN CC(=O)/C=C/c1scnc1C 84149251 573780517 /nfs/dbraw/zinc/78/05/17/573780517.db2.gz GFKKHCJTSPUWGP-ONEGZZNKSA-N 0 0 167.233 2.054 10 30 AEEERN N#C[C@H]1CC[C@@H](c2ccccc2)NC1 258938117 573780535 /nfs/dbraw/zinc/78/05/35/573780535.db2.gz WUTKBZSECAVNPY-PWSUYJOCSA-N 0 0 186.258 2.251 10 30 AEEERN C[C@]12CCCC[C@H]1[C@@H]2C=O 238512001 573780540 /nfs/dbraw/zinc/78/05/40/573780540.db2.gz RSZFPMOZQUALEE-CIUDSAMLSA-N 0 0 138.210 2.012 10 30 AEEERN C[C@]1(C#N)C[C@@H]1c1ccncc1 258937760 573780626 /nfs/dbraw/zinc/78/06/26/573780626.db2.gz BYQNMFCEGJUNFQ-NXEZZACHSA-N 0 0 158.204 2.099 10 30 AEEERN C=C1C[C@H]2CCC[C@]12C(C)=O 238107625 573780643 /nfs/dbraw/zinc/78/06/43/573780643.db2.gz DLIXSJYBNHGMEV-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H]1[C@@H](C=O)[C@@H]1CC1CCC1 238512636 573780654 /nfs/dbraw/zinc/78/06/54/573780654.db2.gz RBLNWIKMGVYMNG-FXBDTBDDSA-N 0 0 152.237 2.258 10 30 AEEERN CC(C)(C)[C@](F)(Cl)C=O 238106673 573780669 /nfs/dbraw/zinc/78/06/69/573780669.db2.gz QPXKVRTZRQJRDY-LURJTMIESA-N 0 0 152.596 2.136 10 30 AEEERN O=C[C@H]1CCCc2ccc(F)cc21 108369241 573780687 /nfs/dbraw/zinc/78/06/87/573780687.db2.gz PCJNWMBJSWJFKR-SECBINFHSA-N 0 0 178.206 2.445 10 30 AEEERN N#C[C@H]1CCc2ccc(F)cc2C1 108368768 573780726 /nfs/dbraw/zinc/78/07/26/573780726.db2.gz ZCSXGMNGYCFPPC-QMMMGPOBSA-N 0 0 175.206 2.454 10 30 AEEERN O=C[C@@H]1CCCc2cc(F)ccc21 108369229 573780771 /nfs/dbraw/zinc/78/07/71/573780771.db2.gz RXIACMKUCAUOLS-VIFPVBQESA-N 0 0 178.206 2.445 10 30 AEEERN C[C@H](CC#N)Sc1ccncc1 87110264 573780782 /nfs/dbraw/zinc/78/07/82/573780782.db2.gz VNHDBBVJNFLIKA-MRVPVSSYSA-N 0 0 178.260 2.476 10 30 AEEERN CC(C)(c1ccccc1)[C@H]1CO1 238106813 573780853 /nfs/dbraw/zinc/78/08/53/573780853.db2.gz SQUZZGIPHODFMG-SNVBAGLBSA-N 0 0 162.232 2.363 10 30 AEEERN C[C@@]1(C#N)C[C@@H]1c1ccncc1 258937766 573782897 /nfs/dbraw/zinc/78/28/97/573782897.db2.gz BYQNMFCEGJUNFQ-ZJUUUORDSA-N 0 0 158.204 2.099 10 30 AEEERN Cc1ccc2c(c1)C[C@H](C=O)S2 238502783 573782762 /nfs/dbraw/zinc/78/27/62/573782762.db2.gz VGRNCAMXPCCLSI-SECBINFHSA-N 0 0 178.256 2.211 10 30 AEEERN CC(=O)/C(C)=C\[Si](C)(C)C 215403490 573782747 /nfs/dbraw/zinc/78/27/47/573782747.db2.gz KPHPQDGEJTWECS-SREVYHEPSA-N 0 0 156.301 2.399 10 30 AEEERN CC(C)c1[nH]c2c(c1C#N)CCC2 259570305 573782907 /nfs/dbraw/zinc/78/29/07/573782907.db2.gz DDCRJVAOMLFHIG-UHFFFAOYSA-N 0 0 174.247 2.498 10 30 AEEERN C=CC[C@@H]1C=C[C@H](O)C[C@@H]1C 238502588 573782949 /nfs/dbraw/zinc/78/29/49/573782949.db2.gz RCXSGNCNXYLZRB-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN CC(C)(C)C(C)(C)C(=O)NCCC#N 308741311 573782958 /nfs/dbraw/zinc/78/29/58/573782958.db2.gz OXEIZRUXDVSGIM-UHFFFAOYSA-N 0 0 196.294 2.089 10 30 AEEERN COc1cccc2c1[C@@H](C=O)CCC2 108372324 573785458 /nfs/dbraw/zinc/78/54/58/573785458.db2.gz YXLNDGKLNOVVOD-SNVBAGLBSA-N 0 0 190.242 2.314 10 30 AEEERN CC=CC(=O)Cc1ccsc1 100242220 573784595 /nfs/dbraw/zinc/78/45/95/573784595.db2.gz KQXVJWFPDZWHHH-NSCUHMNNSA-N 0 0 166.245 2.436 10 30 AEEERN N#CC1(c2ccc3[nH]ccc3c2O)CC1 238713229 573784597 /nfs/dbraw/zinc/78/45/97/573784597.db2.gz JHBQDPRCNCTPPB-UHFFFAOYSA-N 0 0 198.225 2.429 10 30 AEEERN Cc1c(F)cc2c(c1C#N)C(=O)CC2 238502726 573784605 /nfs/dbraw/zinc/78/46/05/573784605.db2.gz ZBPJVYGQKXOLQJ-UHFFFAOYSA-N 0 0 189.189 2.135 10 30 AEEERN CC(C)[C@@H]1C=CC(=O)C[C@H]1C 100264709 573784623 /nfs/dbraw/zinc/78/46/23/573784623.db2.gz XQTVBJNIDHXCNX-SCZZXKLOSA-N 0 0 152.237 2.424 10 30 AEEERN C/C=C\[C@H](O)C#CCCCC 215402798 573784703 /nfs/dbraw/zinc/78/47/03/573784703.db2.gz RLRXTIZYQUFVBM-PENHIPQLSA-N 0 0 152.237 2.117 10 30 AEEERN C=CCC[C@@H](C=O)C(=C)C 238111649 573784743 /nfs/dbraw/zinc/78/47/43/573784743.db2.gz PDSNTAAUABCKSB-VIFPVBQESA-N 0 0 138.210 2.344 10 30 AEEERN C=CCCCNc1cc(C)c(C)nn1 308737444 573784761 /nfs/dbraw/zinc/78/47/61/573784761.db2.gz MJONDWKKMAFRCA-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN Cc1[nH]c(C(F)F)cc(=O)c1CC#N 238504292 573784774 /nfs/dbraw/zinc/78/47/74/573784774.db2.gz AWQSWCOSPCOTGF-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CC(=O)NCCCCCCC 80211317 573784826 /nfs/dbraw/zinc/78/48/26/573784826.db2.gz ABUMECXPQVMMIN-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN Cc1cc2c(N)ccc(C#N)c2o1 238502645 573784879 /nfs/dbraw/zinc/78/48/79/573784879.db2.gz MBDCOYUXXZSRPF-UHFFFAOYSA-N 0 0 172.187 2.195 10 30 AEEERN Nc1cccc2occ(CS)c12 258946795 573784895 /nfs/dbraw/zinc/78/48/95/573784895.db2.gz XDJVAGRQVTVZRI-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN N#CC1(CNc2ccc[nH]2)CCC1 258940184 573784927 /nfs/dbraw/zinc/78/49/27/573784927.db2.gz PRSGPHKOONOGRL-UHFFFAOYSA-N 0 0 175.235 2.120 10 30 AEEERN CC(C)[C@@H](CS)COCC(F)F 131102856 573785218 /nfs/dbraw/zinc/78/52/18/573785218.db2.gz AIBVPXVTFLFAAB-SSDOTTSWSA-N 0 0 198.278 2.470 10 30 AEEERN CC[C@H](CS)COCC(F)F 131101614 573785271 /nfs/dbraw/zinc/78/52/71/573785271.db2.gz PLFHIGRQCGKNFZ-LURJTMIESA-N 0 0 184.251 2.224 10 30 AEEERN Cc1nc(C=O)c(C(F)F)cc1C#N 238513840 573785317 /nfs/dbraw/zinc/78/53/17/573785317.db2.gz JKKYEGKMQIKWJF-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN O=C1C=C(Cl)CC=C1Cl 100240744 573785324 /nfs/dbraw/zinc/78/53/24/573785324.db2.gz ITXLUJJCSGXKBF-UHFFFAOYSA-N 0 0 163.003 2.205 10 30 AEEERN CC[N@H+](CCC#N)[C@@H]1CC[C@H](C)C1 308431634 573785390 /nfs/dbraw/zinc/78/53/90/573785390.db2.gz UFLLCJJAVGFENK-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN C=C[C@H]1C[C@H](C=O)[C@@H](C=C)C1 238110133 573785401 /nfs/dbraw/zinc/78/54/01/573785401.db2.gz AMCGNNUIRVFOGD-KXUCPTDWSA-N 0 0 150.221 2.200 10 30 AEEERN CC(C)=C1CC(C)=C(C)C1=O 100264471 573785561 /nfs/dbraw/zinc/78/55/61/573785561.db2.gz WJBRZAYODUSEMK-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN CC(=O)C=C(C)NCC(C)(C)C 238112961 573785583 /nfs/dbraw/zinc/78/55/83/573785583.db2.gz SOYWWUJAARKIMY-VURMDHGXSA-N 0 0 169.268 2.115 10 30 AEEERN C=C[C@@H]1C[C@@H]1C1=CC(=O)[C@@H]2C=C[C@@H]12 238109449 573785639 /nfs/dbraw/zinc/78/56/39/573785639.db2.gz ZVMHLLGRLIHBNB-KYXWUPHJSA-N 0 0 172.227 2.120 10 30 AEEERN CC[C@H](C#N)NCC12CCC(CC1)C2 308739953 573785734 /nfs/dbraw/zinc/78/57/34/573785734.db2.gz NYLZBBRPFMATCZ-MOENNCHZSA-N 0 0 192.306 2.458 10 30 AEEERN C#CCC[C@@H](NN)C(C)(C)C(C)(C)C 308740834 573786164 /nfs/dbraw/zinc/78/61/64/573786164.db2.gz OQTLJHQZUWIVRZ-SNVBAGLBSA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@@H]1OC(=O)N[C@H]1C1CCCCC1 238111643 573785813 /nfs/dbraw/zinc/78/58/13/573785813.db2.gz DUWKDCCNQXUUSS-UWVGGRQHSA-N 0 0 195.262 2.230 10 30 AEEERN N#CC[C@@H]1CCCc2csnc21 259620081 573785885 /nfs/dbraw/zinc/78/58/85/573785885.db2.gz GUGDGJOKRSVRJW-ZETCQYMHSA-N 0 0 178.260 2.477 10 30 AEEERN C[C@]12CCC(=O)C[C@H]1CC[C@@H]2C#N 238503159 573785893 /nfs/dbraw/zinc/78/58/93/573785893.db2.gz QCNSXVOTHKHYNX-KKZNHRDASA-N 0 0 177.247 2.295 10 30 AEEERN CC(C)Cc1c[nH]c(CCS)n1 259187145 573786090 /nfs/dbraw/zinc/78/60/90/573786090.db2.gz WPPGZCQKPMWNKZ-UHFFFAOYSA-N 0 0 184.308 2.081 10 30 AEEERN C[C@H]1CC[C@H](c2noc(CC#N)n2)C1 235647542 573786199 /nfs/dbraw/zinc/78/61/99/573786199.db2.gz MQYBTOHHNHVARG-YUMQZZPRSA-N 0 0 191.234 2.039 10 30 AEEERN Cc1nc(CC#N)c(C(F)F)cc1O 238518102 573789365 /nfs/dbraw/zinc/78/93/65/573789365.db2.gz YRRLHGHMGNCUEL-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C(C)[C@@H](O)C(=O)c1ccc(C)cc1 238114323 573788262 /nfs/dbraw/zinc/78/82/62/573788262.db2.gz FBUSLRYVDVJXGX-LLVKDONJSA-N 0 0 190.242 2.115 10 30 AEEERN O=C1C=C(Cl)[C@@H]2CCCC[C@H]12 238517929 573788026 /nfs/dbraw/zinc/78/80/26/573788026.db2.gz BYPDUYUIJPJATN-RQJHMYQMSA-N 0 0 170.639 2.498 10 30 AEEERN Cc1nc(C)c([C@H](C#N)C2CC2)o1 259568482 573788033 /nfs/dbraw/zinc/78/80/33/573788033.db2.gz DBSNKCBVPNZGFV-SECBINFHSA-N 0 0 176.219 2.309 10 30 AEEERN Cc1c(N)cccc1C1(C#N)CC1 238521448 573788081 /nfs/dbraw/zinc/78/80/81/573788081.db2.gz CBSQTBDICOPODI-UHFFFAOYSA-N 0 0 172.231 2.132 10 30 AEEERN O=C1C=C(Cl)[C@H]2CC=CC[C@@H]12 238517713 573788140 /nfs/dbraw/zinc/78/81/40/573788140.db2.gz MEZWVUKYJBACKZ-NKWVEPMBSA-N 0 0 168.623 2.274 10 30 AEEERN Cc1cc(C(F)F)nc(F)c1C#N 238517704 573788199 /nfs/dbraw/zinc/78/81/99/573788199.db2.gz RUWQKXAYAVOPJV-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C=C[C@H](C)c1noc([C@@H](C)OC)n1 308434295 573788205 /nfs/dbraw/zinc/78/82/05/573788205.db2.gz VGPOIJKTKWGIHL-NKWVEPMBSA-N 0 0 182.223 2.067 10 30 AEEERN C=CC[C@@H](C)[C@@]1(CO)CCCCO1 715012034 573788208 /nfs/dbraw/zinc/78/82/08/573788208.db2.gz WZDSYPLVYRPLJO-MNOVXSKESA-N 0 0 184.279 2.130 10 30 AEEERN CC1=C[C@H]2CCCC[C@@H]2C1=O 100274315 573788306 /nfs/dbraw/zinc/78/83/06/573788306.db2.gz DPMILSDXZZINDD-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@@H]1COc2ccccc2N1 238114446 573788344 /nfs/dbraw/zinc/78/83/44/573788344.db2.gz SBZNXNCEVJHXAE-MRVPVSSYSA-N 0 0 161.204 2.046 10 30 AEEERN O=C1C(Cl)=CC[C@H]2CC=C1C2 238518229 573788367 /nfs/dbraw/zinc/78/83/67/573788367.db2.gz NUNISQRTLDMKMB-RQJHMYQMSA-N 0 0 168.623 2.274 10 30 AEEERN C#C[C@@H](CC)OC(=O)CC1(C)CC1 308433821 573789658 /nfs/dbraw/zinc/78/96/58/573789658.db2.gz VAFLQGJZDGDTNI-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN CC1CCC(CC=O)CC1 79272437 573788445 /nfs/dbraw/zinc/78/84/45/573788445.db2.gz JJYINMRODRODBP-UHFFFAOYSA-N 0 0 140.226 2.402 10 30 AEEERN CC1=C[C@@H]2CCCC[C@H]2C1=O 100274320 573788510 /nfs/dbraw/zinc/78/85/10/573788510.db2.gz DPMILSDXZZINDD-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN C#C[C@H](CC)OC(=O)CC1(C)CC1 308433816 573788583 /nfs/dbraw/zinc/78/85/83/573788583.db2.gz VAFLQGJZDGDTNI-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C=CC(C)(C=C)[C@H](O)C(=C)C 238114485 573788691 /nfs/dbraw/zinc/78/86/91/573788691.db2.gz BXACMHTUBLLTEI-SECBINFHSA-N 0 0 152.237 2.302 10 30 AEEERN O=CC1C2CCCC1CCC2 79272692 573788706 /nfs/dbraw/zinc/78/87/06/573788706.db2.gz MRUPUBJFQJLFJO-UHFFFAOYSA-N 0 0 152.237 2.402 10 30 AEEERN Cc1nc(C)c([C@@H](C#N)C2CC2)o1 259568485 573788712 /nfs/dbraw/zinc/78/87/12/573788712.db2.gz DBSNKCBVPNZGFV-VIFPVBQESA-N 0 0 176.219 2.309 10 30 AEEERN Cc1cnc(CC#N)cc1C(F)F 238516908 573788713 /nfs/dbraw/zinc/78/87/13/573788713.db2.gz TZRGYLHCXFQEAO-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C=CC[C@H](C)[C@@]1(CO)CCCCO1 715012036 573788749 /nfs/dbraw/zinc/78/87/49/573788749.db2.gz WZDSYPLVYRPLJO-QWRGUYRKSA-N 0 0 184.279 2.130 10 30 AEEERN C=C[C@@H]1CC[C@H]2C=CC(=O)[C@@H]2C1 238114171 573788780 /nfs/dbraw/zinc/78/87/80/573788780.db2.gz WVLDCHPKQMFVBA-KXUCPTDWSA-N 0 0 162.232 2.344 10 30 AEEERN N#Cc1scnc1-c1cccnc1 259185404 573788840 /nfs/dbraw/zinc/78/88/40/573788840.db2.gz KBTCTPLUNCJUTG-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN C=C(C)[C@@H](O)C1=C(C)C1(C)C 238114889 573788916 /nfs/dbraw/zinc/78/89/16/573788916.db2.gz UPNDLCBFHXVUSF-SECBINFHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)CC[C@H](NN)C1(CC)CC1 393590136 573788939 /nfs/dbraw/zinc/78/89/39/573788939.db2.gz MGMVAUDGQWGAHB-JTQLQIEISA-N 0 0 182.311 2.365 10 30 AEEERN N#Cc1cccn1COC1CCCC1 306185720 573788999 /nfs/dbraw/zinc/78/89/99/573788999.db2.gz INTLUUYJMVBHJZ-UHFFFAOYSA-N 0 0 190.246 2.276 10 30 AEEERN O=C1C=C(Cl)[C@@H]2CCCC[C@@H]12 238517783 573789017 /nfs/dbraw/zinc/78/90/17/573789017.db2.gz BYPDUYUIJPJATN-RNFRBKRXSA-N 0 0 170.639 2.498 10 30 AEEERN CC1CC(=O)C(C(C)C)C(=O)C1 100267318 573789069 /nfs/dbraw/zinc/78/90/69/573789069.db2.gz VRVKTBJLIKYKLI-ZETCQYMHSA-N 0 0 168.236 2.454 10 30 AEEERN O/N=C\C1CCCCC1 108470115 573789101 /nfs/dbraw/zinc/78/91/01/573789101.db2.gz NOVKEGXMRQTKSK-VURMDHGXSA-N 0 0 127.187 2.027 10 30 AEEERN O=C(C(F)=C(F)F)C(F)(F)F 238518045 573789102 /nfs/dbraw/zinc/78/91/02/573789102.db2.gz PHEPUOISFCJTRH-UHFFFAOYSA-N 0 0 178.031 2.195 10 30 AEEERN Cc1cc(Cl)nc(N=[N+]=[N-])n1 238517868 573789350 /nfs/dbraw/zinc/78/93/50/573789350.db2.gz GCAXZHDZJNCISK-UHFFFAOYSA-N 0 0 169.575 2.380 10 30 AEEERN O=C1C(Cl)=CC[C@H]2CC=C1C2 238518210 573789159 /nfs/dbraw/zinc/78/91/59/573789159.db2.gz NUNISQRTLDMKMB-RNFRBKRXSA-N 0 0 168.623 2.274 10 30 AEEERN N#C[C@@H](N)Cc1cccc2ccccc12 259189955 573789353 /nfs/dbraw/zinc/78/93/53/573789353.db2.gz XXVMBFRPDNKBLC-LBPRGKRZSA-N 0 0 196.253 2.233 10 30 AEEERN CCCCC1=C(O)CCC1=O 100274959 573789197 /nfs/dbraw/zinc/78/91/97/573789197.db2.gz RUNGWHOPTDIYFM-UHFFFAOYSA-N 0 0 154.209 2.352 10 30 AEEERN CC(C)CN(CCC#N)CC(F)F 43419710 573789223 /nfs/dbraw/zinc/78/92/23/573789223.db2.gz RSRYAGTWQNTXSW-UHFFFAOYSA-N 0 0 190.237 2.123 10 30 AEEERN O=C1C=C(Cl)[C@@H]2CC=CC[C@H]12 238517894 573789281 /nfs/dbraw/zinc/78/92/81/573789281.db2.gz MEZWVUKYJBACKZ-RQJHMYQMSA-N 0 0 168.623 2.274 10 30 AEEERN C[Si](C)(C)C#Cc1cocc1CO 238518304 573789423 /nfs/dbraw/zinc/78/94/23/573789423.db2.gz AFMKATPJZXARAP-UHFFFAOYSA-N 0 0 194.306 2.001 10 30 AEEERN CC(C)(C)C#C[C@H](O)c1cccnc1 238117241 573789631 /nfs/dbraw/zinc/78/96/31/573789631.db2.gz ICNYZZUURUXWHH-NSHDSACASA-N 0 0 189.258 2.165 10 30 AEEERN CC(=O)C[C@@H]1CCCC[C@]1(C)C=O 238117341 573789654 /nfs/dbraw/zinc/78/96/54/573789654.db2.gz HZJKMARWEKRFBB-WDEREUQCSA-N 0 0 182.263 2.361 10 30 AEEERN CC(=O)C[C@@H]1CC2CCC1(C=O)CC2 238116342 573789662 /nfs/dbraw/zinc/78/96/62/573789662.db2.gz QKNCJGMIWUQWEN-MOENNCHZSA-N 0 0 194.274 2.361 10 30 AEEERN C=C[C@@H]1[C@H]2CCCCC(=O)[C@@H]12 238116310 573790689 /nfs/dbraw/zinc/79/06/89/573790689.db2.gz ZGCLQUBBPHROFY-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1c(N)ccc(C2(C#N)CC2)c1F 238504790 573789712 /nfs/dbraw/zinc/78/97/12/573789712.db2.gz VCIWOKKQUHANPP-UHFFFAOYSA-N 0 0 190.221 2.272 10 30 AEEERN C=C[C@@]12CC(=C)C[C@H]1CC(=O)C2 238116846 573789755 /nfs/dbraw/zinc/78/97/55/573789755.db2.gz UQZBTFAKYCWATL-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC[C@](C)(O)c1ccc(O)c(C)c1 238517085 573789782 /nfs/dbraw/zinc/78/97/82/573789782.db2.gz GGQFFRNGXKGDNY-LBPRGKRZSA-N 0 0 192.258 2.484 10 30 AEEERN C#CCCC[C@@H](C[C@@H](C)CC)NN 161015471 573789784 /nfs/dbraw/zinc/78/97/84/573789784.db2.gz ZLQTUOWIFCCYER-QWRGUYRKSA-N 0 0 182.311 2.058 10 30 AEEERN O=C1C=C(Cl)[C@H]2CCCC[C@H]12 238517914 573789793 /nfs/dbraw/zinc/78/97/93/573789793.db2.gz BYPDUYUIJPJATN-BQBZGAKWSA-N 0 0 170.639 2.498 10 30 AEEERN CCC(C)(CC)C1=NOC(=O)C1 100280246 573789805 /nfs/dbraw/zinc/78/98/05/573789805.db2.gz DEMJYGRMLPQRSJ-UHFFFAOYSA-N 0 0 169.224 2.116 10 30 AEEERN C=C(C)[C@@H](O)[C@H]1C=CCCC1 238117152 573789809 /nfs/dbraw/zinc/78/98/09/573789809.db2.gz LYUVKGQFPPLAJG-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@@H](O)Cc1occc1C 238116678 573789826 /nfs/dbraw/zinc/78/98/26/573789826.db2.gz LAFUGMZADJIVKJ-VIFPVBQESA-N 0 0 166.220 2.068 10 30 AEEERN CCCC1C(=O)CCCC1=O 100287719 573789838 /nfs/dbraw/zinc/78/98/38/573789838.db2.gz TWFGLSVVERALEV-UHFFFAOYSA-N 0 0 154.209 2.352 10 30 AEEERN CC(C)CC[C@@H]1CC(=O)C=C1O 238116844 573789853 /nfs/dbraw/zinc/78/98/53/573789853.db2.gz ZUIDDBOGPNVTHX-MRVPVSSYSA-N 0 0 168.236 2.454 10 30 AEEERN C=C(/C=C/C=C(C)C)CCO 238117279 573789925 /nfs/dbraw/zinc/78/99/25/573789925.db2.gz FXWNTXFGSILRFX-GQCTYLIASA-N 0 0 152.237 2.447 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@]1(C)C[C@@H]1F 715010731 573789989 /nfs/dbraw/zinc/78/99/89/573789989.db2.gz PVHLSVBCBGABPX-AATLWQCWSA-N 0 0 172.243 2.308 10 30 AEEERN CC(C)C1CC[C@H](C)C(=O)C1=O 100267306 573790014 /nfs/dbraw/zinc/79/00/14/573790014.db2.gz POVACFJTDXZOQT-ZETCQYMHSA-N 0 0 168.236 2.454 10 30 endogenous,in-man AEEERN CC(=O)C[C@@H]1CCCC[C@@]1(C)C=O 238117267 573790038 /nfs/dbraw/zinc/79/00/38/573790038.db2.gz HZJKMARWEKRFBB-QWRGUYRKSA-N 0 0 182.263 2.361 10 30 AEEERN O=C1C=C(Cl)[C@H]2CCCC[C@@H]12 238517762 573790075 /nfs/dbraw/zinc/79/00/75/573790075.db2.gz BYPDUYUIJPJATN-NKWVEPMBSA-N 0 0 170.639 2.498 10 30 AEEERN CC(C)(C)C#C[C@@H](O)c1cccnc1 238116480 573790120 /nfs/dbraw/zinc/79/01/20/573790120.db2.gz ICNYZZUURUXWHH-LLVKDONJSA-N 0 0 189.258 2.165 10 30 AEEERN C=C[C@@]12CC(=C)C[C@@H]1CC(=O)C2 238116817 573790168 /nfs/dbraw/zinc/79/01/68/573790168.db2.gz UQZBTFAKYCWATL-KOLCDFICSA-N 0 0 162.232 2.488 10 30 AEEERN CC(C)(C)C#C[C@H](O)c1ccncc1 238117268 573790177 /nfs/dbraw/zinc/79/01/77/573790177.db2.gz ALABOWBROHDTKH-NSHDSACASA-N 0 0 189.258 2.165 10 30 AEEERN C=C[C@H]1C=CC[C@H]1CC(C)=O 238116454 573790220 /nfs/dbraw/zinc/79/02/20/573790220.db2.gz ZZDFHSGCTFRETH-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1CC[C@@H](CC(C)=O)[C@@]1(C)C=O 238116559 573790280 /nfs/dbraw/zinc/79/02/80/573790280.db2.gz KQWJTJAZXNXHPL-QWRGUYRKSA-N 0 0 180.247 2.137 10 30 AEEERN CC(=O)C(C)=C=CC(C)C 238116955 573790289 /nfs/dbraw/zinc/79/02/89/573790289.db2.gz ZGIKBAAKXNSMFY-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN C[Si](C)(C)C#Cc1ccnc(F)c1 238518023 573790368 /nfs/dbraw/zinc/79/03/68/573790368.db2.gz FHQBTHYOZIYDKC-UHFFFAOYSA-N 0 0 193.297 2.450 10 30 AEEERN C=C(C)CCCC(=O)C[C@H](C)O 215377552 573790370 /nfs/dbraw/zinc/79/03/70/573790370.db2.gz XOEGNIMVVCNURN-VIFPVBQESA-N 0 0 170.252 2.073 10 30 AEEERN O=C1C=C(Cl)[C@@H]2CC=CC[C@@H]12 238517732 573790516 /nfs/dbraw/zinc/79/05/16/573790516.db2.gz MEZWVUKYJBACKZ-RNFRBKRXSA-N 0 0 168.623 2.274 10 30 AEEERN CCCc1ccc(N(C)CC=O)cc1 258944107 573790524 /nfs/dbraw/zinc/79/05/24/573790524.db2.gz UARFDVIEWVOYJP-UHFFFAOYSA-N 0 0 191.274 2.274 10 30 AEEERN C/C=C(/CC)C(=O)c1ccnn1CC 308434515 573790565 /nfs/dbraw/zinc/79/05/65/573790565.db2.gz IGTOBNKVWZRSBU-WTKPLQERSA-N 0 0 192.262 2.442 10 30 AEEERN C=CC(=O)[C@@H]1CC=C[C@@H](C)C1 238518180 573790708 /nfs/dbraw/zinc/79/07/08/573790708.db2.gz JJOFMZHZRFXHAZ-RKDXNWHRSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@@H]1c2ccccc2C(=O)[C@@H]1C#N 238518101 573790731 /nfs/dbraw/zinc/79/07/31/573790731.db2.gz JQHAFXALOXQPPU-GMSGAONNSA-N 0 0 171.199 2.126 10 30 AEEERN CC(C)(C)C#C[C@@H](O)c1ccncc1 238116525 573790732 /nfs/dbraw/zinc/79/07/32/573790732.db2.gz ALABOWBROHDTKH-LLVKDONJSA-N 0 0 189.258 2.165 10 30 AEEERN C=C[C@@H]1C=CC[C@H]1CC(C)=O 238116507 573790779 /nfs/dbraw/zinc/79/07/79/573790779.db2.gz ZZDFHSGCTFRETH-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN O=C1C(Cl)=CC[C@H]2CC[C@@H]1C2 238518292 573790805 /nfs/dbraw/zinc/79/08/05/573790805.db2.gz LKKDGHRGBKYQJN-RNFRBKRXSA-N 0 0 170.639 2.498 10 30 AEEERN C=C(C)CC[C@@H](NN)C1(CC)CC1 393590138 573790807 /nfs/dbraw/zinc/79/08/07/573790807.db2.gz MGMVAUDGQWGAHB-SNVBAGLBSA-N 0 0 182.311 2.365 10 30 AEEERN Cc1c(C(F)F)cnc(C=O)c1C#N 238518248 573790875 /nfs/dbraw/zinc/79/08/75/573790875.db2.gz OJGUZKFZFBYFFC-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C#Cc1ccccc1C[C@H](O)C(=C)C 238116569 573790887 /nfs/dbraw/zinc/79/08/87/573790887.db2.gz PYESKSNRTXTNCE-ZDUSSCGKSA-N 0 0 186.254 2.147 10 30 AEEERN C[C@]12CCC[C@H]1CC=CC2=O 238518345 573790891 /nfs/dbraw/zinc/79/08/91/573790891.db2.gz GVYPRINVENBDIT-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN CCCCCN=Nc1cnn(C)c1 308440210 573790934 /nfs/dbraw/zinc/79/09/34/573790934.db2.gz YPNICKPGNCMISM-UHFFFAOYSA-N 0 0 180.255 2.008 10 30 AEEERN C=C[C@@H](C)c1noc([C@H](C)OC)n1 308434301 573790975 /nfs/dbraw/zinc/79/09/75/573790975.db2.gz VGPOIJKTKWGIHL-RQJHMYQMSA-N 0 0 182.223 2.067 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@@]1(C)C[C@@H]1F 715010738 573792013 /nfs/dbraw/zinc/79/20/13/573792013.db2.gz PVHLSVBCBGABPX-XKNYDFJKSA-N 0 0 172.243 2.308 10 30 AEEERN C=C[C@@]12C=CC=C[C@@H](C=C1)C2=O 238116743 573791003 /nfs/dbraw/zinc/79/10/03/573791003.db2.gz ASLYKPXKYHGLNS-GXSJLCMTSA-N 0 0 158.200 2.040 10 30 AEEERN C=C(C)[C@@H](O)Cc1cc(C)ccc1O 238116496 573791047 /nfs/dbraw/zinc/79/10/47/573791047.db2.gz KCHVSFNEBCIINH-LBPRGKRZSA-N 0 0 192.258 2.180 10 30 AEEERN C=C(C)[C@@H](O)[C@@H](C#N)c1ccccc1 238116831 573791143 /nfs/dbraw/zinc/79/11/43/573791143.db2.gz REUKSPHDJOGLOM-NWDGAFQWSA-N 0 0 187.242 2.231 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@@]1(C)C[C@H]1F 715010733 573791179 /nfs/dbraw/zinc/79/11/79/573791179.db2.gz PVHLSVBCBGABPX-JXUBOQSCSA-N 0 0 172.243 2.308 10 30 AEEERN CSc1cc(C#N)cc2[nH]cnc12 306712001 573791201 /nfs/dbraw/zinc/79/12/01/573791201.db2.gz YMZHSJJPPUCWRY-UHFFFAOYSA-N 0 0 189.243 2.156 10 30 AEEERN CC(C)(C)O[C@@H]1CC[C@@H]2[C@@H](C=O)[C@@H]21 238116390 573791214 /nfs/dbraw/zinc/79/12/14/573791214.db2.gz ZICUMGWBFPNRFQ-ZYUZMQFOSA-N 0 0 182.263 2.025 10 30 AEEERN N#Cc1cc(C#N)c2sc(N)cc2c1 306712883 573791223 /nfs/dbraw/zinc/79/12/23/573791223.db2.gz ABLPCZJJJVXGPQ-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C=CCNc1nc(C)cc(Cl)n1 238517946 573791361 /nfs/dbraw/zinc/79/13/61/573791361.db2.gz QTXLRMQVWGHDSE-UHFFFAOYSA-N 0 0 183.642 2.036 10 30 AEEERN C=CC[C@@H](C)[C@]1(CO)CCCCO1 715012033 573791427 /nfs/dbraw/zinc/79/14/27/573791427.db2.gz WZDSYPLVYRPLJO-GHMZBOCLSA-N 0 0 184.279 2.130 10 30 AEEERN Cc1nc(CC#N)c(O)cc1C(F)F 238518359 573792058 /nfs/dbraw/zinc/79/20/58/573792058.db2.gz KCXQCSLRBIPOGG-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C[C@@H]1C=C[C@H](CC(C)=O)C1 238119913 573791745 /nfs/dbraw/zinc/79/17/45/573791745.db2.gz SEOLTBAYUUIMFV-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN N#C[C@H](N)Cc1cccc2ccccc12 259189953 573792062 /nfs/dbraw/zinc/79/20/62/573792062.db2.gz XXVMBFRPDNKBLC-GFCCVEGCSA-N 0 0 196.253 2.233 10 30 AEEERN C=CCCCNC(=O)C[C@@H]1C[C@@H]1C 393562893 573791829 /nfs/dbraw/zinc/79/18/29/573791829.db2.gz BSTMEQPIDKGNLM-UWVGGRQHSA-N 0 0 181.279 2.115 10 30 AEEERN O=C1C(Cl)=CNCc2ccsc21 238518445 573791884 /nfs/dbraw/zinc/79/18/84/573791884.db2.gz YFTUOHTYEPLWAE-UHFFFAOYSA-N 0 0 199.662 2.114 10 30 AEEERN CCC=CCCNc1n[nH]cc1C#N 308727494 573793310 /nfs/dbraw/zinc/79/33/10/573793310.db2.gz HIPFTJPHSKXVDW-ARJAWSKDSA-N 0 0 190.250 2.050 10 30 AEEERN C=C1CCC(=C(C)C)C[C@@H]1O 238119985 573793030 /nfs/dbraw/zinc/79/30/30/573793030.db2.gz DKQIVRSQASTTIZ-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN CN[C@H](S)c1cc(F)ccc1F 259621285 573793140 /nfs/dbraw/zinc/79/31/40/573793140.db2.gz YVWJIWMGXOSADZ-MRVPVSSYSA-N 0 0 189.230 2.113 10 30 AEEERN CC(C)[C@@H]1C=C(Cl)C(=O)C1 100294208 573793178 /nfs/dbraw/zinc/79/31/78/573793178.db2.gz XQTXPKQCWVIUCJ-ZCFIWIBFSA-N 0 0 158.628 2.354 10 30 AEEERN C=CC(C)(C)[C@@H](O)[C@H](O)C(C)(C)C=C 308440693 573796408 /nfs/dbraw/zinc/79/64/08/573796408.db2.gz DPJVMRZTVOLSFA-UWVGGRQHSA-N 0 0 198.306 2.133 10 30 AEEERN C=C(CC#CCO)C[Si](C)(C)C 238522302 573796417 /nfs/dbraw/zinc/79/64/17/573796417.db2.gz HIFJEPTZAMWFEM-UHFFFAOYSA-N 0 0 182.339 2.267 10 30 AEEERN Cc1c(C#N)ccc2[nH]c(=S)[nH]c12 238520677 573796431 /nfs/dbraw/zinc/79/64/31/573796431.db2.gz FPOYDMGXJHXLLO-UHFFFAOYSA-N 0 0 189.243 2.032 10 30 AEEERN Cc1c(C#N)ccc2cnsc12 238520527 573796482 /nfs/dbraw/zinc/79/64/82/573796482.db2.gz JRAXRTCPRIFGCN-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN C[C@@H](C#N)c1cccc2ccc(=O)oc12 214965836 573798091 /nfs/dbraw/zinc/79/80/91/573798091.db2.gz ARDCSXQDMXABOE-QMMMGPOBSA-N 0 0 199.209 2.420 10 30 AEEERN N[C@H](C=O)c1cccc2ccccc12 78644781 573798102 /nfs/dbraw/zinc/79/81/02/573798102.db2.gz LHCDCWVOZAXFKC-GFCCVEGCSA-N 0 0 185.226 2.039 10 30 AEEERN CC/C=C\C(=O)c1cnn(CCC)c1 308441837 573796577 /nfs/dbraw/zinc/79/65/77/573796577.db2.gz JWXPXEPIHSPJRM-WAYWQWQTSA-N 0 0 192.262 2.442 10 30 AEEERN CC(C)(C)C1=CC=CC1=O 238126668 573796724 /nfs/dbraw/zinc/79/67/24/573796724.db2.gz GEDAQASISUUMSB-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN Cc1c(C#N)ccc2cnoc12 238520503 573796791 /nfs/dbraw/zinc/79/67/91/573796791.db2.gz FJOCXAGBIQCNRJ-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN C=C(C)C(=O)[C@H](OC)C(C)(C)C 132222947 573796863 /nfs/dbraw/zinc/79/68/63/573796863.db2.gz CACFRWNTIMJVTG-VIFPVBQESA-N 0 0 170.252 2.193 10 30 AEEERN C[C@@H]1C(=O)C=CN[C@@H]1c1ccccc1 238514045 573798126 /nfs/dbraw/zinc/79/81/26/573798126.db2.gz XVPBQZAHNOSDKY-SKDRFNHKSA-N 0 0 187.242 2.050 10 30 AEEERN CC/C=C\C(=O)OCCCCC#N 308440840 573797059 /nfs/dbraw/zinc/79/70/59/573797059.db2.gz YWRDHXYQRAUWIE-CLTKARDFSA-N 0 0 181.235 2.190 10 30 AEEERN CN(CCCC#N)c1cccc(N)c1 41023109 573797078 /nfs/dbraw/zinc/79/70/78/573797078.db2.gz QNLZQUJYMQMUFY-UHFFFAOYSA-N 0 0 189.262 2.009 10 30 AEEERN Cc1cc2c(cc1C)C[C@H]1O[C@H]1C2 238521365 573797127 /nfs/dbraw/zinc/79/71/27/573797127.db2.gz DWHQLYVSIAKKIB-TXEJJXNPSA-N 0 0 174.243 2.169 10 30 AEEERN Cc1cc(C(F)F)[nH]c(=O)c1CC#N 238520256 573797163 /nfs/dbraw/zinc/79/71/63/573797163.db2.gz VJTHKWAOJCJESO-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN NC(=O)N=Cc1ccc2ccccc2c1 308745948 573797210 /nfs/dbraw/zinc/79/72/10/573797210.db2.gz DZGKUJPPOASHLR-UHFFFAOYSA-N 0 0 198.225 2.337 10 30 AEEERN C[C@@H]1CC(C=O)=C(O)[C@@H](C)C1 238520836 573797284 /nfs/dbraw/zinc/79/72/84/573797284.db2.gz HTIGJZWUZCGEKE-CWOHMAISSA-N 0 0 154.209 2.063 10 30 AEEERN CN[C@@H](S)c1cc(F)ccc1F 259621287 573797417 /nfs/dbraw/zinc/79/74/17/573797417.db2.gz YVWJIWMGXOSADZ-QMMMGPOBSA-N 0 0 189.230 2.113 10 30 AEEERN C=C(C)C(=O)[C@@H](OC)C(C)(C)C 132223128 573798150 /nfs/dbraw/zinc/79/81/50/573798150.db2.gz CACFRWNTIMJVTG-SECBINFHSA-N 0 0 170.252 2.193 10 30 AEEERN CC1(C)C[C@]1(C#N)C1CCOCC1 258952559 573797464 /nfs/dbraw/zinc/79/74/64/573797464.db2.gz FFRCMEQVDKCWOA-NSHDSACASA-N 0 0 179.263 2.353 10 30 AEEERN CC1(C)C[C@@]1(C#N)C1CCOCC1 258952557 573797480 /nfs/dbraw/zinc/79/74/80/573797480.db2.gz FFRCMEQVDKCWOA-LLVKDONJSA-N 0 0 179.263 2.353 10 30 AEEERN N#Cc1cc2c(cc1C(F)F)OCO2 258131245 573797513 /nfs/dbraw/zinc/79/75/13/573797513.db2.gz RMWLCLUHKIIWMO-UHFFFAOYSA-N 0 0 197.140 2.225 10 30 AEEERN CC(C)=C1C(C)=C(C)C(=O)[C@H]1CCO 238127018 573797558 /nfs/dbraw/zinc/79/75/58/573797558.db2.gz GFACLEYKEAKURB-JTQLQIEISA-N 0 0 194.274 2.241 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(F)[C@@H](O)C1 238125927 573797593 /nfs/dbraw/zinc/79/75/93/573797593.db2.gz GEZSNFYPFHCVDU-UTLUCORTSA-N 0 0 172.243 2.452 10 30 AEEERN C=C[C@H]1OC(=O)N[C@@H]1C1CCCCC1 238124813 573797698 /nfs/dbraw/zinc/79/76/98/573797698.db2.gz DUWKDCCNQXUUSS-NXEZZACHSA-N 0 0 195.262 2.230 10 30 AEEERN COCc1ccc(CC#N)c(F)c1F 258131017 573797718 /nfs/dbraw/zinc/79/77/18/573797718.db2.gz RLINLWIBXZQHKF-UHFFFAOYSA-N 0 0 197.184 2.177 10 30 AEEERN C/C=C\COC[C@H](C)CS 211643747 573797806 /nfs/dbraw/zinc/79/78/06/573797806.db2.gz WCJYAYUJGRGWEX-VEMNSZJBSA-N 0 0 160.282 2.145 10 30 AEEERN C=C(C)C[C@]1(C)CC(=O)C=CC1=O 238105266 573800663 /nfs/dbraw/zinc/80/06/63/573800663.db2.gz QXOAMOXDNDGOQP-LLVKDONJSA-N 0 0 178.231 2.057 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(C=O)C(=O)C1 238125760 573797827 /nfs/dbraw/zinc/79/78/27/573797827.db2.gz XQXOMXFJZIRZQR-MWLCHTKSSA-N 0 0 180.247 2.137 10 30 AEEERN C=C[C@@H](C=O)C1SCCCS1 238105199 573797850 /nfs/dbraw/zinc/79/78/50/573797850.db2.gz MBRKMFXDOMOFDS-ZETCQYMHSA-N 0 0 188.317 2.184 10 30 AEEERN CC(=O)/C=C1\CCc2cccnc21 716181816 573797864 /nfs/dbraw/zinc/79/78/64/573797864.db2.gz ZFSWKEJVHLIJQO-JXMROGBWSA-N 0 0 173.215 2.000 10 30 AEEERN C=C[C@](C)(C=O)C(C)(C)C 238105190 573797878 /nfs/dbraw/zinc/79/78/78/573797878.db2.gz FAIQADJUOYTHDS-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@@]1(C2CCC2)C[C@H]1C#N 258951689 573797923 /nfs/dbraw/zinc/79/79/23/573797923.db2.gz FDDDWNIAHYHMAG-IUCAKERBSA-N 0 0 135.210 2.336 10 30 AEEERN Cc1cc(C2(C#N)CC2)ccc1C#N 238515199 573797958 /nfs/dbraw/zinc/79/79/58/573797958.db2.gz MRKBSEWDMIFDDF-UHFFFAOYSA-N 0 0 182.226 2.422 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C=O)C1 238125410 573798038 /nfs/dbraw/zinc/79/80/38/573798038.db2.gz DEFKQDSBSYNCTN-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)c1ccc(N(C)CC=O)cc1 258951017 573798187 /nfs/dbraw/zinc/79/81/87/573798187.db2.gz USHGAAMVOLDBAN-UHFFFAOYSA-N 0 0 191.274 2.445 10 30 AEEERN ON=C1CCC[C@@H](O)c2ccccc21 308443104 573798680 /nfs/dbraw/zinc/79/86/80/573798680.db2.gz HSRKMGRQCYTDMF-LLVKDONJSA-N 0 0 191.230 2.082 10 30 AEEERN C=C(C)C[C@](C)(O)c1ccccc1N 238105025 573798227 /nfs/dbraw/zinc/79/82/27/573798227.db2.gz FWDFJWDPFWPXCI-LBPRGKRZSA-N 0 0 191.274 2.443 10 30 AEEERN Cc1c(N)cccc1C(C)(C)C#N 238521298 573798248 /nfs/dbraw/zinc/79/82/48/573798248.db2.gz RLOXZSPSMRZNSV-UHFFFAOYSA-N 0 0 174.247 2.378 10 30 AEEERN C#CC[C@H](O)CCC#C[Si](C)(C)C 238513922 573798320 /nfs/dbraw/zinc/79/83/20/573798320.db2.gz AXWMOLQOBSWRLJ-NSHDSACASA-N 0 0 194.350 2.032 10 30 AEEERN Cc1cc(C(F)F)nc(C=O)c1C#N 238514736 573798337 /nfs/dbraw/zinc/79/83/37/573798337.db2.gz WQHHXWNCBFJHTC-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C#CCC[C@@H](O)CC#C[Si](C)(C)C 238514583 573798347 /nfs/dbraw/zinc/79/83/47/573798347.db2.gz IDLZJNYAQPVWJO-LLVKDONJSA-N 0 0 194.350 2.032 10 30 AEEERN Cc1ccc2cc(CC=O)n(C)c2c1 258131405 573798383 /nfs/dbraw/zinc/79/83/83/573798383.db2.gz KFXYHZABQYWWRC-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN CC(=O)/C=C1/CCc2cccnc21 716181818 573798367 /nfs/dbraw/zinc/79/83/67/573798367.db2.gz ZFSWKEJVHLIJQO-YFHOEESVSA-N 0 0 173.215 2.000 10 30 AEEERN C=CCCCn1cc(C#N)c(C)n1 393563275 573798374 /nfs/dbraw/zinc/79/83/74/573798374.db2.gz DMAUCRCDOVRZJD-UHFFFAOYSA-N 0 0 175.235 2.029 10 30 AEEERN CC(C)=C1C(C)=C(C)C(=O)[C@@H]1CCO 238125806 573798414 /nfs/dbraw/zinc/79/84/14/573798414.db2.gz GFACLEYKEAKURB-SNVBAGLBSA-N 0 0 194.274 2.241 10 30 AEEERN COCCON=Cc1sccc1C 308443475 573798468 /nfs/dbraw/zinc/79/84/68/573798468.db2.gz ABMLMYNPBPOFCJ-UHFFFAOYSA-N 0 0 199.275 2.053 10 30 AEEERN CC(C)CC[C@H]1CC(=O)C=C1O 238124926 573798608 /nfs/dbraw/zinc/79/86/08/573798608.db2.gz ZUIDDBOGPNVTHX-QMMMGPOBSA-N 0 0 168.236 2.454 10 30 AEEERN C[C@]1(C2CCC2)C[C@H]1C#N 258951688 573798667 /nfs/dbraw/zinc/79/86/67/573798667.db2.gz FDDDWNIAHYHMAG-DTWKUNHWSA-N 0 0 135.210 2.336 10 30 AEEERN C/C=C/C=C/C[NH2+][C@@H](CC)CC#N 308438625 573798732 /nfs/dbraw/zinc/79/87/32/573798732.db2.gz XXVDAUHWLMBRNV-ZLCMXGLFSA-N 0 0 178.279 2.401 10 30 AEEERN C#CC[C@@H](O)CCC#C[Si](C)(C)C 238514010 573798742 /nfs/dbraw/zinc/79/87/42/573798742.db2.gz AXWMOLQOBSWRLJ-LLVKDONJSA-N 0 0 194.350 2.032 10 30 AEEERN Cc1ccc2c(C#N)c[nH]c2c1F 238514541 573798770 /nfs/dbraw/zinc/79/87/70/573798770.db2.gz YVZIELGPJWSPOT-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1cc(C)c(CCCO)cc1C#N 258131118 573798807 /nfs/dbraw/zinc/79/88/07/573798807.db2.gz RLYMSULOGHXMGS-UHFFFAOYSA-N 0 0 189.258 2.100 10 30 AEEERN C=C[C@H]1CC(=O)C[C@@]2(C=CCC2)O1 238125820 573798825 /nfs/dbraw/zinc/79/88/25/573798825.db2.gz BXFBRJQTJMUSFB-QWRGUYRKSA-N 0 0 178.231 2.009 10 30 AEEERN N#CCc1c(O)ccc2ccc(O)cc12 214965763 573799595 /nfs/dbraw/zinc/79/95/95/573799595.db2.gz SCYNPDZORJIQKC-UHFFFAOYSA-N 0 0 199.209 2.317 10 30 AEEERN COC/C(=C\C(C)=O)c1ccccc1 308438680 573799604 /nfs/dbraw/zinc/79/96/04/573799604.db2.gz VLLRISZLHJWYOX-XYOKQWHBSA-N 0 0 190.242 2.305 10 30 AEEERN CC(C)=C1C(C)=C(C)C(=O)[C@H]1CC=O 238126992 573799613 /nfs/dbraw/zinc/79/96/13/573799613.db2.gz FWMPNZISPIGRFG-JTQLQIEISA-N 0 0 192.258 2.447 10 30 AEEERN CC(C)(C)[C@](C)(Cl)C=O 238105530 573800789 /nfs/dbraw/zinc/80/07/89/573800789.db2.gz DCRFXGJVCWAJCB-SSDOTTSWSA-N 0 0 148.633 2.229 10 30 AEEERN CN[C@@H](S)c1cccc(C)c1 259193381 573800768 /nfs/dbraw/zinc/80/07/68/573800768.db2.gz FBUJCGDDEWBCEL-VIFPVBQESA-N 0 0 167.277 2.143 10 30 AEEERN C=C1C[C@]2(C(C)=O)C=CC=C[C@H]12 238105071 573800576 /nfs/dbraw/zinc/80/05/76/573800576.db2.gz DRAUZKAIQDORPQ-MNOVXSKESA-N 0 0 160.216 2.264 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(CC=O)[C@@H](O)C1 238125830 573800772 /nfs/dbraw/zinc/80/07/72/573800772.db2.gz ZSOSFVRIXIYUOJ-GRYCIOLGSA-N 0 0 196.290 2.319 10 30 AEEERN C=C[C@H]1OC(=O)N[C@H]1C1CCCCC1 238124856 573800654 /nfs/dbraw/zinc/80/06/54/573800654.db2.gz DUWKDCCNQXUUSS-ZJUUUORDSA-N 0 0 195.262 2.230 10 30 AEEERN C=C[C@@H](CC=O)OCc1ccccc1 238105318 573800779 /nfs/dbraw/zinc/80/07/79/573800779.db2.gz UBDWAUKGPGWHCJ-LBPRGKRZSA-N 0 0 190.242 2.347 10 30 AEEERN CC[C@@H](NCC#N)c1ncc(C)s1 308443410 573801994 /nfs/dbraw/zinc/80/19/94/573801994.db2.gz ZXSIYIDEGZNJAG-MRVPVSSYSA-N 0 0 195.291 2.016 10 30 AEEERN Cc1cc(C2(C#N)CC2)ccc1O 238515320 573802002 /nfs/dbraw/zinc/80/20/02/573802002.db2.gz ACZPFXQEUNZWDN-UHFFFAOYSA-N 0 0 173.215 2.256 10 30 AEEERN C=C[C@]1(C)C[C@H](C)C(=O)[C@@H]1C 238514229 573802049 /nfs/dbraw/zinc/80/20/49/573802049.db2.gz BYOGJJUEVPPVJN-OYNCUSHFSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@@H]2CC(=O)[C@@H](C)[C@@H]2C1 238515027 573801886 /nfs/dbraw/zinc/80/18/86/573801886.db2.gz LVSYSZSHKKCALS-YIZRAAEISA-N 0 0 150.221 2.178 10 30 AEEERN C=CCCCC(=O)N(CC)CC=C 393563360 573801927 /nfs/dbraw/zinc/80/19/27/573801927.db2.gz KKYIBNOSSOTBSG-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C#CCCCC(=O)[C@@H](OC)C(C)(C)C 132229050 573801967 /nfs/dbraw/zinc/80/19/67/573801967.db2.gz JEXKOIYAQHLJNT-LLVKDONJSA-N 0 0 196.290 2.420 10 30 AEEERN CC(C)[C@@H](C#N)CNc1ccccn1 258954810 573802880 /nfs/dbraw/zinc/80/28/80/573802880.db2.gz JUNKWXHTPNXSMY-JTQLQIEISA-N 0 0 189.262 2.289 10 30 AEEERN C=C[C@@H]1C[C@@H]1C(=O)C(C)(C)C 238132689 573802882 /nfs/dbraw/zinc/80/28/82/573802882.db2.gz INKNDJHACVGVMV-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1ccc(C#C[C@@H](O)C2CC2)cc1 238528210 573805367 /nfs/dbraw/zinc/80/53/67/573805367.db2.gz DVDDXXCGKGSGHM-CYBMUJFWSA-N 0 0 186.254 2.117 10 30 AEEERN N#CCc1cnc2oc(C3CC3)nc2c1 214967019 573805393 /nfs/dbraw/zinc/80/53/93/573805393.db2.gz FGEULNZCSWPVQN-UHFFFAOYSA-N 0 0 199.213 2.166 10 30 AEEERN C#COc1ccc(C(C)(C)C)[nH]1 238123988 573808600 /nfs/dbraw/zinc/80/86/00/573808600.db2.gz KAWWQUOQXKQRDA-UHFFFAOYSA-N 0 0 163.220 2.282 10 30 AEEERN O=CC/C=C\C[C@@H]1CCCS1 258134680 573805458 /nfs/dbraw/zinc/80/54/58/573805458.db2.gz JGFGSIRNZPRZQD-JKERVTFKSA-N 0 0 170.277 2.417 10 30 AEEERN C=C1CC[C@H](CC(C)=O)[C@@]1(C)C=O 238128501 573805608 /nfs/dbraw/zinc/80/56/08/573805608.db2.gz KQWJTJAZXNXHPL-MNOVXSKESA-N 0 0 180.247 2.137 10 30 AEEERN CC(C)Cc1csc(C#N)n1 259194239 573805674 /nfs/dbraw/zinc/80/56/74/573805674.db2.gz KPXPTCXJVYZVSC-UHFFFAOYSA-N 0 0 166.249 2.213 10 30 AEEERN C=CCN(CC1CC1)C(=O)OCC 308439513 573805700 /nfs/dbraw/zinc/80/57/00/573805700.db2.gz YIUQEKLMWNSKKT-UHFFFAOYSA-N 0 0 183.251 2.041 10 30 AEEERN COc1ccc(C)cc1[C@H]1O[C@H]1C 258955166 573808537 /nfs/dbraw/zinc/80/85/37/573808537.db2.gz ZFFWDNNRQWZJNL-KWQFWETISA-N 0 0 178.231 2.463 10 30 AEEERN C#CCC(=O)[C@@H](OCC)C(C)(C)C 132266420 573808630 /nfs/dbraw/zinc/80/86/30/573808630.db2.gz DDFKEUBZJMTDPZ-SNVBAGLBSA-N 0 0 182.263 2.030 10 30 AEEERN SCNc1ccc2ncoc2c1 258955723 573808657 /nfs/dbraw/zinc/80/86/57/573808657.db2.gz SBVHMJWYYSFYRI-UHFFFAOYSA-N 0 0 180.232 2.127 10 30 AEEERN C#Cc1ccnc(Cl)c1C 209743710 573808700 /nfs/dbraw/zinc/80/87/00/573808700.db2.gz KPHOFELPVINNSK-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN N#Cc1c(F)cccc1C1(C#N)CC1 238529634 573808815 /nfs/dbraw/zinc/80/88/15/573808815.db2.gz HKPIUXYXFHEFQL-UHFFFAOYSA-N 0 0 186.189 2.253 10 30 AEEERN C=C[C@H]1C[C@@]1(C=O)c1ccccc1 238123176 573808855 /nfs/dbraw/zinc/80/88/55/573808855.db2.gz URKFWBZVHVSUJR-JQWIXIFHSA-N 0 0 172.227 2.329 10 30 AEEERN CC(=O)Cc1cc(C#N)cc(C)c1C 258140970 573813656 /nfs/dbraw/zinc/81/36/56/573813656.db2.gz SNHHCJFTMFXRMQ-UHFFFAOYSA-N 0 0 187.242 2.307 10 30 AEEERN C=C(C)C#C[C@@H](O)CCC(C)C 238123821 573808951 /nfs/dbraw/zinc/80/89/51/573808951.db2.gz DOOZYIYRVRBVCK-LLVKDONJSA-N 0 0 166.264 2.363 10 30 AEEERN Cc1cccc([S@](=O)CCC#N)c1 84266635 573808998 /nfs/dbraw/zinc/80/89/98/573808998.db2.gz JXRFBYMVYMMWIB-ZDUSSCGKSA-N 0 0 193.271 2.016 10 30 AEEERN C=CCCSCc1nnc(CC)[nH]1 308443815 573809043 /nfs/dbraw/zinc/80/90/43/573809043.db2.gz AHMSZLBKVIPGNJ-UHFFFAOYSA-N 0 0 197.307 2.176 10 30 AEEERN C#CCCC(=O)[C@@H](OCC)C(C)(C)C 132255826 573811207 /nfs/dbraw/zinc/81/12/07/573811207.db2.gz XOVANNQSPNTSOS-LLVKDONJSA-N 0 0 196.290 2.420 10 30 AEEERN COc1cc(CCC=O)cc(C)c1C 258136166 573811239 /nfs/dbraw/zinc/81/12/39/573811239.db2.gz RYBMWNWQVBFWCL-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN CC(C)=C1CC[C@@H](C=O)C1 238121798 573811251 /nfs/dbraw/zinc/81/12/51/573811251.db2.gz UYWYLKILIMSWMI-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CCCc1ccc(C(=O)[C@@H]2CO2)cc1 259194556 573811080 /nfs/dbraw/zinc/81/10/80/573811080.db2.gz MWIKGUZDIKWKSP-NSHDSACASA-N 0 0 190.242 2.221 10 30 AEEERN CC[C@H](C)C(=O)[C@H](C#N)C(C)C 41045740 573811148 /nfs/dbraw/zinc/81/11/48/573811148.db2.gz SRLDRSQBERNYPB-DTWKUNHWSA-N 0 0 167.252 2.397 10 30 AEEERN N#C[C@H](NCc1cccs1)C1CC1 41047375 573811336 /nfs/dbraw/zinc/81/13/36/573811336.db2.gz FQFGXHHNURZUCT-JTQLQIEISA-N 0 0 192.287 2.140 10 30 AEEERN CCCc1ccc(C(=O)[C@H]2CO2)cc1 259194550 573811356 /nfs/dbraw/zinc/81/13/56/573811356.db2.gz MWIKGUZDIKWKSP-LLVKDONJSA-N 0 0 190.242 2.221 10 30 AEEERN CCC[S@@](=O)[C@@H]1CCCC[C@@H]1C#N 84262058 573811382 /nfs/dbraw/zinc/81/13/82/573811382.db2.gz DTGZMSBZDYYWMV-BREBYQMCSA-N 0 0 199.319 2.227 10 30 AEEERN C=C[C@H]1C[C@@H]1C(=O)Nc1ccccc1 238122684 573811526 /nfs/dbraw/zinc/81/15/26/573811526.db2.gz IBTXYQWPWFCSIU-ONGXEEELSA-N 0 0 187.242 2.447 10 30 AEEERN N#C[C@@H](NCc1cccs1)C1CC1 41047376 573813024 /nfs/dbraw/zinc/81/30/24/573813024.db2.gz FQFGXHHNURZUCT-SNVBAGLBSA-N 0 0 192.287 2.140 10 30 AEEERN CC(C)=C1CC[C@H](C=O)C1 238122692 573812575 /nfs/dbraw/zinc/81/25/75/573812575.db2.gz UYWYLKILIMSWMI-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)(S)C1CCC1 259198638 573812654 /nfs/dbraw/zinc/81/26/54/573812654.db2.gz KRGTWSFPIAHRDE-UHFFFAOYSA-N 0 0 130.256 2.495 10 30 AEEERN C=C[C@H]1CCC[C@@H]2C(=O)C=C[C@@H]21 238121629 573812697 /nfs/dbraw/zinc/81/26/97/573812697.db2.gz OTDHAQNWKYIGRI-AEJSXWLSSA-N 0 0 162.232 2.344 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@](C)(C=O)C1 238121670 573812703 /nfs/dbraw/zinc/81/27/03/573812703.db2.gz DBBKIVIJRKCHQR-KOLCDFICSA-N 0 0 180.247 2.137 10 30 AEEERN CC(C)CC(=O)[C@@H](C#N)C(C)C 41045719 573812791 /nfs/dbraw/zinc/81/27/91/573812791.db2.gz XGTJJIBETMRELM-VIFPVBQESA-N 0 0 167.252 2.397 10 30 AEEERN CCn1nc(C)c(Cl)c1CCC#N 84279589 573812904 /nfs/dbraw/zinc/81/29/04/573812904.db2.gz RJXAGRHZGLODNY-UHFFFAOYSA-N 0 0 197.669 2.321 10 30 AEEERN N#Cc1cc(F)c(OCF)cc1F 306921028 573812918 /nfs/dbraw/zinc/81/29/18/573812918.db2.gz OWYKZYQYYSHFSC-UHFFFAOYSA-N 0 0 187.120 2.142 10 30 AEEERN C[C@](F)(C=O)c1ccc2c(c1)CCO2 257881444 573812947 /nfs/dbraw/zinc/81/29/47/573812947.db2.gz VKQGYZJTJWMCDB-NSHDSACASA-N 0 0 194.205 2.005 10 30 AEEERN Cc1nc(CC2=CC(=O)CC2)cs1 84276659 573812981 /nfs/dbraw/zinc/81/29/81/573812981.db2.gz QMRYNDRXVWFYEY-UHFFFAOYSA-N 0 0 193.271 2.283 10 30 AEEERN C[C@@](F)(C=O)c1ccc2c(c1)CCO2 257880492 573813011 /nfs/dbraw/zinc/81/30/11/573813011.db2.gz VKQGYZJTJWMCDB-LLVKDONJSA-N 0 0 194.205 2.005 10 30 AEEERN CC(C)Cc1ccnc(CCS)n1 259199019 573813058 /nfs/dbraw/zinc/81/30/58/573813058.db2.gz WITZKKMPSFVGJZ-UHFFFAOYSA-N 0 0 196.319 2.147 10 30 AEEERN CC1(C)C[C@@]1(C#N)c1ccncc1 258941773 573813063 /nfs/dbraw/zinc/81/30/63/573813063.db2.gz CNTIPDUNZMRTQR-LLVKDONJSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@@]1(c2ccc(O)cc2)C[C@H]1C=O 257885346 573813064 /nfs/dbraw/zinc/81/30/64/573813064.db2.gz WECXCBZGCRBVDG-JQWIXIFHSA-N 0 0 190.242 2.259 10 30 AEEERN C[C@H](CC=O)c1cccc2c[nH]nc12 258140990 573813102 /nfs/dbraw/zinc/81/31/02/573813102.db2.gz SODPZYCDQXSKQL-MRVPVSSYSA-N 0 0 188.230 2.255 10 30 AEEERN Cc1ccc(OCCCC#N)c(N)c1 41045832 573813186 /nfs/dbraw/zinc/81/31/86/573813186.db2.gz UHOKYXTXOAQKFI-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN CC[C@@](C)(C#N)Cc1cc(C)nn1C 84270089 573813293 /nfs/dbraw/zinc/81/32/93/573813293.db2.gz MTDQPVDWQOTREA-LLVKDONJSA-N 0 0 191.278 2.211 10 30 AEEERN N#CCc1c(C=O)[nH]c2ccccc12 259622862 573813311 /nfs/dbraw/zinc/81/33/11/573813311.db2.gz GXXSZKCJPLPEJK-UHFFFAOYSA-N 0 0 184.198 2.046 10 30 AEEERN N#CCc1c[nH]c2c(Cl)nccc12 238522243 573813362 /nfs/dbraw/zinc/81/33/62/573813362.db2.gz UZNKJONZEYPCHP-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN Cc1c(C#N)cnc(C=O)c1C(F)F 238522888 573813376 /nfs/dbraw/zinc/81/33/76/573813376.db2.gz TUPDFCREPGZJTC-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=C1[C@@H]2C=C[C@@H](C2)[C@@H]1CC(C)=O 238132860 573813400 /nfs/dbraw/zinc/81/34/00/573813400.db2.gz OJYLXQATXQENDR-OUAUKWLOSA-N 0 0 162.232 2.344 10 30 AEEERN CC[C@](C)(C#N)Cc1cc(C)nn1C 84270088 573813742 /nfs/dbraw/zinc/81/37/42/573813742.db2.gz MTDQPVDWQOTREA-NSHDSACASA-N 0 0 191.278 2.211 10 30 AEEERN CC(C)C[C@@H](C#N)c1nccn1C 259199396 573813434 /nfs/dbraw/zinc/81/34/34/573813434.db2.gz QBUIMMZZMNOGPF-VIFPVBQESA-N 0 0 177.251 2.073 10 30 AEEERN C=CCNC(=O)SC(C)(C)C 238124555 573813443 /nfs/dbraw/zinc/81/34/43/573813443.db2.gz MQAPZSUVWYTLLH-UHFFFAOYSA-N 0 0 173.281 2.414 10 30 AEEERN Cc1ccc(O)c(C(=O)CCC#N)c1 238522484 573813506 /nfs/dbraw/zinc/81/35/06/573813506.db2.gz HSSLXNIQNPHZKX-UHFFFAOYSA-N 0 0 189.214 2.187 10 30 AEEERN N#CC1(c2nc(C3CCC3)c[nH]2)CC1 259198427 573813572 /nfs/dbraw/zinc/81/35/72/573813572.db2.gz XKEZPMLKFFYXGI-UHFFFAOYSA-N 0 0 187.246 2.232 10 30 AEEERN C=C[C@](C)(NC(C)=O)c1cccs1 238132833 573813578 /nfs/dbraw/zinc/81/35/78/573813578.db2.gz POMWGTGTTIGOLQ-JTQLQIEISA-N 0 0 195.287 2.285 10 30 AEEERN CC[C@H](C)C(=O)[C@@H](C#N)C(C)C 41045738 573813585 /nfs/dbraw/zinc/81/35/85/573813585.db2.gz SRLDRSQBERNYPB-IUCAKERBSA-N 0 0 167.252 2.397 10 30 AEEERN C[Si](C)(C)C1=C[C@H]2C=C[C@@H]2C1=O 238521840 573813625 /nfs/dbraw/zinc/81/36/25/573813625.db2.gz KLCHLMHXISKFKP-SFYZADRCSA-N 0 0 178.307 2.175 10 30 AEEERN CN(C)c1ccc(F)cc1CCC=O 258145355 573816184 /nfs/dbraw/zinc/81/61/84/573816184.db2.gz SVUSXNCJDJOTLU-UHFFFAOYSA-N 0 0 195.237 2.023 10 30 AEEERN N#Cc1csc(-c2ccc[nH]2)n1 259200652 573817605 /nfs/dbraw/zinc/81/76/05/573817605.db2.gz HIPHMIPRTWGYMK-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN COc1cccc2occ(CC=O)c12 258146730 573817991 /nfs/dbraw/zinc/81/79/91/573817991.db2.gz LCAIVGCZDQKDLK-UHFFFAOYSA-N 0 0 190.198 2.183 10 30 AEEERN CC[C@H](C)[C@@H](C#N)NCC(C)C 41050066 573818456 /nfs/dbraw/zinc/81/84/56/573818456.db2.gz HTWPUQYOVUCFHP-VHSXEESVSA-N 0 0 168.284 2.170 10 30 AEEERN Cc1c(C#N)ccnc1C(F)F 238522481 573814554 /nfs/dbraw/zinc/81/45/54/573814554.db2.gz SOJZJTXONHBWNS-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CC[C@H](C#N)Cc1cc[nH]c1 259199197 573814565 /nfs/dbraw/zinc/81/45/65/573814565.db2.gz FZPWEXWGELAPIZ-QMMMGPOBSA-N 0 0 148.209 2.107 10 30 AEEERN C=C(C[C@H](C)O)c1ccc(C#N)cc1 225000521 573814587 /nfs/dbraw/zinc/81/45/87/573814587.db2.gz IYLSGYHPSBUKQJ-JTQLQIEISA-N 0 0 187.242 2.342 10 30 AEEERN COc1cc(C#N)c(OC)c(C)c1C 258145523 573818495 /nfs/dbraw/zinc/81/84/95/573818495.db2.gz SZDNRCQIJXLLCZ-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN Cc1cc(O)c([C@H](C)CC=O)cc1O 258140817 573814593 /nfs/dbraw/zinc/81/45/93/573814593.db2.gz SIRKJSFQXHTWIQ-SSDOTTSWSA-N 0 0 194.230 2.099 10 30 AEEERN C[C@@H](CC=O)c1cccc2c[nH]nc12 258140991 573814601 /nfs/dbraw/zinc/81/46/01/573814601.db2.gz SODPZYCDQXSKQL-QMMMGPOBSA-N 0 0 188.230 2.255 10 30 AEEERN N#Cc1c(O)c(N)cc2sccc12 306930015 573814681 /nfs/dbraw/zinc/81/46/81/573814681.db2.gz BELPZFJORBPGKA-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(C=O)C(=O)C1 238124485 573814705 /nfs/dbraw/zinc/81/47/05/573814705.db2.gz XQXOMXFJZIRZQR-KOLCDFICSA-N 0 0 180.247 2.137 10 30 AEEERN CC(C)C[C@H](C#N)c1nccn1C 259199394 573814840 /nfs/dbraw/zinc/81/48/40/573814840.db2.gz QBUIMMZZMNOGPF-SECBINFHSA-N 0 0 177.251 2.073 10 30 AEEERN CCc1cc(CC(C)(C)C#N)n(C)n1 84270071 573814845 /nfs/dbraw/zinc/81/48/45/573814845.db2.gz LYKKGELOUPKZSZ-UHFFFAOYSA-N 0 0 191.278 2.075 10 30 AEEERN N#Cc1[nH]ccc1-c1cscn1 259572369 573815032 /nfs/dbraw/zinc/81/50/32/573815032.db2.gz DKEKOVMGTGRLAD-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN CC(C)(C)C(N)(C#N)C(C)(C)C 238135395 573818673 /nfs/dbraw/zinc/81/86/73/573818673.db2.gz FTOQPTDBLNWGIU-UHFFFAOYSA-N 0 0 168.284 2.300 10 30 AEEERN CC[C@@H](O)/C=C\C#Cc1ccccc1 308444199 573815315 /nfs/dbraw/zinc/81/53/15/573815315.db2.gz JHWMDOKDUQGXLE-LWMSPQMPSA-N 0 0 186.254 2.365 10 30 AEEERN [N-]=[N+]=Nc1ccnc(Cl)c1C=O 238521810 573815378 /nfs/dbraw/zinc/81/53/78/573815378.db2.gz BZKPIZBLWVSHMR-UHFFFAOYSA-N 0 0 182.570 2.489 10 30 AEEERN COc1cc(C)c(C)cc1C(=O)C#N 259198960 573815431 /nfs/dbraw/zinc/81/54/31/573815431.db2.gz OLXSWBGMHPKGSW-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN C[C@@]12CCC(=O)C=C1C[C@H](CO)CC2 238522525 573815427 /nfs/dbraw/zinc/81/54/27/573815427.db2.gz KXYOGHXCBOHVRR-BXKDBHETSA-N 0 0 194.274 2.074 10 30 AEEERN C=C(C[C@@H](C)O)c1ccc(C#N)cc1 225000559 573815495 /nfs/dbraw/zinc/81/54/95/573815495.db2.gz IYLSGYHPSBUKQJ-SNVBAGLBSA-N 0 0 187.242 2.342 10 30 AEEERN C=C(C)[C@@H]1CNc2ccccc2N1 238131861 573815516 /nfs/dbraw/zinc/81/55/16/573815516.db2.gz SDABCKUHAFBXAD-NSHDSACASA-N 0 0 174.247 2.469 10 30 AEEERN C[Si](C)(C)C1=C[C@H]2C=C[C@H]2C1=O 238521858 573815553 /nfs/dbraw/zinc/81/55/53/573815553.db2.gz KLCHLMHXISKFKP-HTQZYQBOSA-N 0 0 178.307 2.175 10 30 AEEERN C[C@@H](O)C/C=C/c1ccc(C#N)cc1 225000344 573815610 /nfs/dbraw/zinc/81/56/10/573815610.db2.gz YQZVCEYZJPEICU-XCRNYIDWSA-N 0 0 187.242 2.342 10 30 AEEERN CCC(CC)[C@H](C#N)NCC1CC1 41049756 573815638 /nfs/dbraw/zinc/81/56/38/573815638.db2.gz QYGJSCFUEQQDMF-NSHDSACASA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@@H](C#N)NCc1cccs1 41049485 573815710 /nfs/dbraw/zinc/81/57/10/573815710.db2.gz PSGVGRBKRKPVHZ-SNVBAGLBSA-N 0 0 194.303 2.386 10 30 AEEERN CCC(CC)[C@@H](C#N)NC1CC1 41049689 573815803 /nfs/dbraw/zinc/81/58/03/573815803.db2.gz XDVJMOSOQMMNJP-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN C=C(C)[C@@](C)(O)CNc1ccccc1 238133373 573815992 /nfs/dbraw/zinc/81/59/92/573815992.db2.gz ZHXFDMOBVVDVQJ-LBPRGKRZSA-N 0 0 191.274 2.426 10 30 AEEERN C[Si](C)(C)C1=C[C@@H]2C=C[C@@H]2C1=O 238521793 573816021 /nfs/dbraw/zinc/81/60/21/573816021.db2.gz KLCHLMHXISKFKP-YUMQZZPRSA-N 0 0 178.307 2.175 10 30 AEEERN C[C@@]12CCC(=O)C=C1C[C@H](C=O)CC2 238522090 573816033 /nfs/dbraw/zinc/81/60/33/573816033.db2.gz VAQQCGNLRMFUPH-BXKDBHETSA-N 0 0 192.258 2.281 10 30 AEEERN CCc1nn(C)c(CCC#N)c1Cl 84296100 573816041 /nfs/dbraw/zinc/81/60/41/573816041.db2.gz OJGCNRADNCBWCU-UHFFFAOYSA-N 0 0 197.669 2.092 10 30 AEEERN C=CCC[C@H](O)c1ncccc1F 131207397 573816053 /nfs/dbraw/zinc/81/60/53/573816053.db2.gz SSVJKGYJPOAQBY-VIFPVBQESA-N 0 0 181.210 2.220 10 30 AEEERN CCCC[C@@H](CC)C/C(N)=N/O 43455016 573816096 /nfs/dbraw/zinc/81/60/96/573816096.db2.gz HUDODAPSJQDGSH-MRVPVSSYSA-N 0 0 172.272 2.339 10 30 AEEERN CC(C)[C@H](C#N)NCc1cccs1 41049486 573816245 /nfs/dbraw/zinc/81/62/45/573816245.db2.gz PSGVGRBKRKPVHZ-JTQLQIEISA-N 0 0 194.303 2.386 10 30 AEEERN Cc1ccc(C(=O)[C@@H]2CO2)c(C)c1C 259198031 573816247 /nfs/dbraw/zinc/81/62/47/573816247.db2.gz NDIMJIIPDHWUDX-NSHDSACASA-N 0 0 190.242 2.193 10 30 AEEERN CC#CCC[C@H](O)CCC(F)(F)F 161024266 573816305 /nfs/dbraw/zinc/81/63/05/573816305.db2.gz CGYUQTGESKQZJD-QMMMGPOBSA-N 0 0 194.196 2.493 10 30 AEEERN CC(C)=CC(=O)C(C)(C)CC#N 238133989 573816355 /nfs/dbraw/zinc/81/63/55/573816355.db2.gz HWXLTTXALTZCDB-UHFFFAOYSA-N 0 0 165.236 2.462 10 30 AEEERN CC(C)=C=CCCC=O 238132102 573816454 /nfs/dbraw/zinc/81/64/54/573816454.db2.gz PGDKKMBAPKNOGL-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN C=C(C)[C@@]1(C)CCC=CC1=O 238133944 573816507 /nfs/dbraw/zinc/81/65/07/573816507.db2.gz MNYQXIACWOWPJB-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(CC=O)[C@@H](O)C1 238124589 573816516 /nfs/dbraw/zinc/81/65/16/573816516.db2.gz ZSOSFVRIXIYUOJ-WOPDTQHZSA-N 0 0 196.290 2.319 10 30 AEEERN C=C[C@H]1C[C@@H]1C(=O)C(C)(C)C 238132455 573816573 /nfs/dbraw/zinc/81/65/73/573816573.db2.gz INKNDJHACVGVMV-YUMQZZPRSA-N 0 0 152.237 2.424 10 30 AEEERN CCn1nc(C)cc1CC(C)(C)C#N 84270074 573816576 /nfs/dbraw/zinc/81/65/76/573816576.db2.gz ZNMUASRFBFRLSR-UHFFFAOYSA-N 0 0 191.278 2.304 10 30 AEEERN CCC(CC)[C@@H](C#N)NCC1CC1 41049755 573816645 /nfs/dbraw/zinc/81/66/45/573816645.db2.gz QYGJSCFUEQQDMF-LLVKDONJSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)=CC(=O)C(=O)C=C(C)C 238133858 573816655 /nfs/dbraw/zinc/81/66/55/573816655.db2.gz KLNTZSJKHSZQBH-UHFFFAOYSA-N 0 0 166.220 2.057 10 30 AEEERN CC[C@@H](C#N)Cc1cc[nH]c1 259199195 573816725 /nfs/dbraw/zinc/81/67/25/573816725.db2.gz FZPWEXWGELAPIZ-MRVPVSSYSA-N 0 0 148.209 2.107 10 30 AEEERN C=C(C)[C@@]1(C)CC(=O)C(C)(C)O1 238133802 573816784 /nfs/dbraw/zinc/81/67/84/573816784.db2.gz HNZCZYYNJXJHMX-SNVBAGLBSA-N 0 0 168.236 2.089 10 30 AEEERN CCc1nn(CC)c(CC#N)c1Cl 84298306 573816833 /nfs/dbraw/zinc/81/68/33/573816833.db2.gz JRSJBJWRYJIPLC-UHFFFAOYSA-N 0 0 197.669 2.185 10 30 AEEERN CCC(CC)[C@@H](C#N)NC(C)C 41049687 573816841 /nfs/dbraw/zinc/81/68/41/573816841.db2.gz PGABVWANYSZOSB-SNVBAGLBSA-N 0 0 168.284 2.313 10 30 AEEERN C/C=N/c1cnc2ccccn12 100721042 573816903 /nfs/dbraw/zinc/81/69/03/573816903.db2.gz MZXMZGOZALCJTF-WTDSWWLTSA-N 0 0 159.192 2.057 10 30 AEEERN C=C[C@](C)(NC(C)=O)c1ccccc1 238132778 573816906 /nfs/dbraw/zinc/81/69/06/573816906.db2.gz BPJVPYCIZISUQH-LBPRGKRZSA-N 0 0 189.258 2.224 10 30 AEEERN Cc1c(C#N)cnc(C(F)F)c1C=O 238522650 573817376 /nfs/dbraw/zinc/81/73/76/573817376.db2.gz SJXLPAHSJXXBSQ-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=C(C)[C@@H]1Cc2cc(O)ccc2O1 238132427 573817055 /nfs/dbraw/zinc/81/70/55/573817055.db2.gz GTORZDYJLNSWKR-NSHDSACASA-N 0 0 176.215 2.272 10 30 AEEERN CC(C)=C=CCCCC=O 238132143 573817071 /nfs/dbraw/zinc/81/70/71/573817071.db2.gz RSVQNUJPTDPVAB-UHFFFAOYSA-N 0 0 138.210 2.477 10 30 AEEERN CCC(CC)[C@H](C#N)NC1CC1 41049690 573817126 /nfs/dbraw/zinc/81/71/26/573817126.db2.gz XDVJMOSOQMMNJP-JTQLQIEISA-N 0 0 166.268 2.067 10 30 AEEERN C=C(C)[C@H]1C(=O)N[C@H]1c1ccccc1 238132628 573817142 /nfs/dbraw/zinc/81/71/42/573817142.db2.gz HOBCACXTPFYKNA-MNOVXSKESA-N 0 0 187.242 2.050 10 30 AEEERN C=C(C)[C@@](C)(O)[C@@H](O)c1ccccc1 238133442 573817184 /nfs/dbraw/zinc/81/71/84/573817184.db2.gz UZGJTPNZLPDHDK-NWDGAFQWSA-N 0 0 192.258 2.047 10 30 AEEERN Cc1ccsc1CN(C)CS 258961319 573817216 /nfs/dbraw/zinc/81/72/16/573817216.db2.gz SUXCXDVEPIOOBZ-UHFFFAOYSA-N 0 0 187.333 2.376 10 30 AEEERN C=C(C)[C@@]1(C)CCC(=O)C1 238133902 573817239 /nfs/dbraw/zinc/81/72/39/573817239.db2.gz SIHVPCPVEGXFEH-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C/C[C@@H](C)CCS 79378760 573817311 /nfs/dbraw/zinc/81/73/11/573817311.db2.gz YAYHMLFOEJGDTJ-RYEJSQLPSA-N 0 0 172.293 2.478 10 30 AEEERN Cc1cccc2c1c(CC=O)cn2C 258147169 573817424 /nfs/dbraw/zinc/81/74/24/573817424.db2.gz LEPNNQSVPKTCLJ-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN Cc1cc2oc(=O)sc2cc1C#N 238522920 573817461 /nfs/dbraw/zinc/81/74/61/573817461.db2.gz PWPSTDGHQFKPGH-UHFFFAOYSA-N 0 0 191.211 2.035 10 30 AEEERN CC[C@H](C)N[C@@H](C#N)C(C)(C)C 41051771 573817543 /nfs/dbraw/zinc/81/75/43/573817543.db2.gz LGXZVXZHAGASFY-IUCAKERBSA-N 0 0 168.284 2.313 10 30 AEEERN Cc1ccc2cc(CC=O)oc2c1 258146930 573817590 /nfs/dbraw/zinc/81/75/90/573817590.db2.gz LDLAGONQENUWDJ-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN Cc1cc(F)c(C#N)c(C(F)F)n1 238522040 573817601 /nfs/dbraw/zinc/81/76/01/573817601.db2.gz TYHPGWXDACOTBE-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1ccc2c(N)c(C#N)oc2c1 238521787 573817636 /nfs/dbraw/zinc/81/76/36/573817636.db2.gz SCCPIIKIXXRZBQ-UHFFFAOYSA-N 0 0 172.187 2.195 10 30 AEEERN CC[C@H](C)[C@H](C#N)N(CC)CC 41050451 573821749 /nfs/dbraw/zinc/82/17/49/573821749.db2.gz MOFCCXIJERBZSJ-UWVGGRQHSA-N 0 0 168.284 2.266 10 30 AEEERN CC(C)(C)[C@H](C#N)NCC(F)(F)F 41051767 573817704 /nfs/dbraw/zinc/81/77/04/573817704.db2.gz FKIPNPATFKMRTK-LURJTMIESA-N 0 0 194.200 2.077 10 30 AEEERN COc1cc(CCC=O)c(F)cc1C 258145430 573817710 /nfs/dbraw/zinc/81/77/10/573817710.db2.gz SXLJYSKGYLVJFN-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CCCc1[nH]c2cccnc2c1C#N 306923343 573817759 /nfs/dbraw/zinc/81/77/59/573817759.db2.gz ZPPYKXHUWFJWPH-UHFFFAOYSA-N 0 0 185.230 2.387 10 30 AEEERN CCCC[C@@H](C#N)NCC(C)C 41053244 573817801 /nfs/dbraw/zinc/81/78/01/573817801.db2.gz KHAMPRJIMWRSNR-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN CC(C)CN[C@H](C#N)C(C)(C)C 41051685 573817828 /nfs/dbraw/zinc/81/78/28/573817828.db2.gz ZOZCWFNSIACSPU-SECBINFHSA-N 0 0 168.284 2.170 10 30 AEEERN CCC(=O)c1ccc(F)cc1C#N 306930368 573817858 /nfs/dbraw/zinc/81/78/58/573817858.db2.gz BTRSDMWIVUHQOI-UHFFFAOYSA-N 0 0 177.178 2.290 10 30 AEEERN CC[C@@H](C)[C@@H](C#N)NC1CCCC1 41050169 573818467 /nfs/dbraw/zinc/81/84/67/573818467.db2.gz PDWKNRUUXHINOG-MWLCHTKSSA-N 0 0 180.295 2.457 10 30 AEEERN C=C(C)[C@]1(C)C(=O)[C@@H]2CC=C[C@@H]21 238137009 573818074 /nfs/dbraw/zinc/81/80/74/573818074.db2.gz LBRWRLQVRIXCFS-YWVKMMECSA-N 0 0 162.232 2.344 10 30 AEEERN N#Cc1cc(C(F)F)c2nc[nH]c2c1 306922897 573818245 /nfs/dbraw/zinc/81/82/45/573818245.db2.gz XRMOFEUHMPSYGV-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN CC12[C@H]3CC(C[C@H]31)[C@@]2(C)CC=O 100781111 573818374 /nfs/dbraw/zinc/81/83/74/573818374.db2.gz WTFMBIIXZCPCMT-BAUKGFNRSA-N 0 0 164.248 2.258 10 30 endogenous,in-man AEEERN N#Cc1c(F)cc(N)c2sccc12 306922652 573818386 /nfs/dbraw/zinc/81/83/86/573818386.db2.gz WFNGRUWTKRABKX-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=CCc1cc(F)cc(C(C)=O)c1O 238135034 573818615 /nfs/dbraw/zinc/81/86/15/573818615.db2.gz ZGTNHIATSVSHEZ-UHFFFAOYSA-N 0 0 194.205 2.462 10 30 AEEERN CON=C1CCC=C1CCCCCO 308447503 573818707 /nfs/dbraw/zinc/81/87/07/573818707.db2.gz OELPPHOEQYKVPL-UHFFFAOYSA-N 0 0 197.278 2.262 10 30 AEEERN CC(C)(C#N)Cc1cccc(O)c1 87184587 573818718 /nfs/dbraw/zinc/81/87/18/573818718.db2.gz KXRCGZLKVGCQHR-UHFFFAOYSA-N 0 0 175.231 2.484 10 30 AEEERN CC[C@]1(c2ccc(O)cc2)C[C@@H]1C=O 257885351 573819642 /nfs/dbraw/zinc/81/96/42/573819642.db2.gz WECXCBZGCRBVDG-ZYHUDNBSSA-N 0 0 190.242 2.259 10 30 AEEERN N#CC[C@H]1CCOC[C@]12CCSC2 259622660 573819650 /nfs/dbraw/zinc/81/96/50/573819650.db2.gz HJKCWARYTUFMRN-UWVGGRQHSA-N 0 0 197.303 2.060 10 30 AEEERN O=CC[C@@H]1COc2ccc(Cl)cc21 258146115 573819664 /nfs/dbraw/zinc/81/96/64/573819664.db2.gz QSEANUDJBQADCN-SSDOTTSWSA-N 0 0 196.633 2.405 10 30 AEEERN N#CC[C@H]1CCOC[C@@]12CCSC2 259622663 573819674 /nfs/dbraw/zinc/81/96/74/573819674.db2.gz HJKCWARYTUFMRN-VHSXEESVSA-N 0 0 197.303 2.060 10 30 AEEERN C=CC(=O)CC[Si](C)(C)C 238523206 573819683 /nfs/dbraw/zinc/81/96/83/573819683.db2.gz AHFZDTCBUWKBDT-UHFFFAOYSA-N 0 0 156.301 2.470 10 30 AEEERN CC[C@H](C)[C@@H](C#N)NC1CCCC1 41050170 573819701 /nfs/dbraw/zinc/81/97/01/573819701.db2.gz PDWKNRUUXHINOG-GXSJLCMTSA-N 0 0 180.295 2.457 10 30 AEEERN Cc1c(C#N)cncc1C(F)F 238523258 573819722 /nfs/dbraw/zinc/81/97/22/573819722.db2.gz LLPBFUCVGZKSPX-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CC[C@@H](C)[C@@H](C#N)NCC(C)C 41050065 573820582 /nfs/dbraw/zinc/82/05/82/573820582.db2.gz HTWPUQYOVUCFHP-NXEZZACHSA-N 0 0 168.284 2.170 10 30 AEEERN CC(C)C1CC[C@@H](C)C(=O)C1=O 100781734 573819838 /nfs/dbraw/zinc/81/98/38/573819838.db2.gz POVACFJTDXZOQT-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 endogenous,in-man AEEERN CC(C)(C)C(O)(C#CC=O)C(C)(C)C 238135544 573819919 /nfs/dbraw/zinc/81/99/19/573819919.db2.gz IFMAUXLUMXLDHT-UHFFFAOYSA-N 0 0 196.290 2.012 10 30 AEEERN CCc1noc2c1CC[C@@H](CC#N)C2 259622574 573820063 /nfs/dbraw/zinc/82/00/63/573820063.db2.gz HIIFJBKDNBZCKA-QMMMGPOBSA-N 0 0 190.246 2.256 10 30 AEEERN CC[C@@H](C)N[C@H](C#N)C(C)(C)C 41051772 573820068 /nfs/dbraw/zinc/82/00/68/573820068.db2.gz LGXZVXZHAGASFY-RKDXNWHRSA-N 0 0 168.284 2.313 10 30 AEEERN Cc1cc(CC=O)c2[nH]ccc2c1 238523040 573820118 /nfs/dbraw/zinc/82/01/18/573820118.db2.gz MFHCUWNZQYTYSQ-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1ccnnc1C 715020379 573820127 /nfs/dbraw/zinc/82/01/27/573820127.db2.gz CCKQTSBONYURQT-LDYMZIIASA-N 0 0 192.262 2.031 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1ccnnc1C 715020376 573820132 /nfs/dbraw/zinc/82/01/32/573820132.db2.gz CCKQTSBONYURQT-KCJUWKMLSA-N 0 0 192.262 2.031 10 30 AEEERN C[C@@]12CC[C@]1(C)C[C@@H]2C=O 238524126 573820162 /nfs/dbraw/zinc/82/01/62/573820162.db2.gz VFZWATWGYJRVHB-HLTSFMKQSA-N 0 0 138.210 2.012 10 30 AEEERN Cc1csc2c1C(=O)C[C@@H](C#N)C2 259622693 573820282 /nfs/dbraw/zinc/82/02/82/573820282.db2.gz HJQHJIRWEQLKHO-SSDOTTSWSA-N 0 0 191.255 2.325 10 30 AEEERN C=CC#CCCNC(=S)C=C(C)C 238137843 573820335 /nfs/dbraw/zinc/82/03/35/573820335.db2.gz WIANDKJDWDQRJM-UHFFFAOYSA-N 0 0 193.315 2.449 10 30 AEEERN CC[C@@H](C)[C@@H](C#N)N(CC)CC 41050448 573820345 /nfs/dbraw/zinc/82/03/45/573820345.db2.gz MOFCCXIJERBZSJ-NXEZZACHSA-N 0 0 168.284 2.266 10 30 AEEERN C=C(C)[C@]1(C)C(=O)[C@H]2CC=C[C@@H]21 238136980 573820358 /nfs/dbraw/zinc/82/03/58/573820358.db2.gz LBRWRLQVRIXCFS-QXEWZRGKSA-N 0 0 162.232 2.344 10 30 AEEERN C=C[C@@H](O)c1cc(C)c(O)c(C)c1 238524438 573820466 /nfs/dbraw/zinc/82/04/66/573820466.db2.gz VKANCPSUCXTEEA-SNVBAGLBSA-N 0 0 178.231 2.228 10 30 AEEERN N#CCc1ccsc1-c1cc[nH]n1 259622655 573820428 /nfs/dbraw/zinc/82/04/28/573820428.db2.gz HJIDFDPMYDLPED-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN OCCC/C=C\C#Cc1ccccc1 308447507 573822358 /nfs/dbraw/zinc/82/23/58/573822358.db2.gz OFEQPDUBANNXEX-UPHRSURJSA-N 0 0 186.254 2.367 10 30 AEEERN C=C(CCC(C)C)[C@H](C)O 238135374 573821466 /nfs/dbraw/zinc/82/14/66/573821466.db2.gz BVUNQXAIDZXQBS-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN N#CC1(CNc2cc[nH]c2)CCC1 258963343 573821485 /nfs/dbraw/zinc/82/14/85/573821485.db2.gz RZKQEZJKVAAGFN-UHFFFAOYSA-N 0 0 175.235 2.120 10 30 AEEERN N#Cc1ncc(F)cc1C(F)(F)F 85344999 573821521 /nfs/dbraw/zinc/82/15/21/573821521.db2.gz COQZJFJCFXHKLO-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN CC(C)(C)[C@@H](C#N)NCC(F)(F)F 41051766 573821542 /nfs/dbraw/zinc/82/15/42/573821542.db2.gz FKIPNPATFKMRTK-ZCFIWIBFSA-N 0 0 194.200 2.077 10 30 AEEERN Cc1cc(CC=O)c2c(ccn2C)c1 238523064 573821554 /nfs/dbraw/zinc/82/15/54/573821554.db2.gz YEISZDRJIBGZRT-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN C=CC#CCCNC(=O)OC(C)(C)C 238135549 573821579 /nfs/dbraw/zinc/82/15/79/573821579.db2.gz KEIUXVWIVVETDY-UHFFFAOYSA-N 0 0 195.262 2.091 10 30 AEEERN CO[C@H](CC=O)c1ccc(C)cc1 257883347 573821599 /nfs/dbraw/zinc/82/15/99/573821599.db2.gz MKPZMMATOBYGRG-LLVKDONJSA-N 0 0 178.231 2.272 10 30 AEEERN CCCC[C@@H](C#N)NCCC 41053206 573821603 /nfs/dbraw/zinc/82/16/03/573821603.db2.gz GTUSOXIRWPTOEC-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN Cc1nc(C2(C#N)CCC2)cs1 259204047 573821625 /nfs/dbraw/zinc/82/16/25/573821625.db2.gz HMUDYZCXZLUCHQ-UHFFFAOYSA-N 0 0 178.260 2.397 10 30 AEEERN Cc1cc(CC=O)c2occc2c1 238523095 573821678 /nfs/dbraw/zinc/82/16/78/573821678.db2.gz WQRTYXIKHGBKLF-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN CC1=CC(=O)c2ccsc2C1=O 238523020 573821851 /nfs/dbraw/zinc/82/18/51/573821851.db2.gz XCTMQXNRDIBPMV-UHFFFAOYSA-N 0 0 178.212 2.073 10 30 AEEERN Cc1c(C#N)ncc(C(F)F)c1C=O 238523934 573821880 /nfs/dbraw/zinc/82/18/80/573821880.db2.gz QPQSEGWDTXOYFF-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN COc1c(C)ccc2c(C#N)nccc12 259622729 573821929 /nfs/dbraw/zinc/82/19/29/573821929.db2.gz HKEZKDSDIOUACN-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN Cc1c(C#N)ncc(C=O)c1C(F)F 238524105 573822114 /nfs/dbraw/zinc/82/21/14/573822114.db2.gz FFJDHVWQXJFUGG-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN N#Cc1cc2c(cc1O)CC(=O)S2 306935347 573822119 /nfs/dbraw/zinc/82/21/19/573822119.db2.gz HDQHZHXGOVEMGO-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN CCOc1ccccc1[C@@H](F)C=O 257883343 573822128 /nfs/dbraw/zinc/82/21/28/573822128.db2.gz MKJHBEXKXKLWOU-VIFPVBQESA-N 0 0 182.194 2.295 10 30 AEEERN CC[C@H](C)[C@@H](C#N)N(CC)CC 41050449 573822136 /nfs/dbraw/zinc/82/21/36/573822136.db2.gz MOFCCXIJERBZSJ-VHSXEESVSA-N 0 0 168.284 2.266 10 30 AEEERN CC[C@H](C)N[C@H](C#N)C(C)(C)C 41051773 573822144 /nfs/dbraw/zinc/82/21/44/573822144.db2.gz LGXZVXZHAGASFY-DTWKUNHWSA-N 0 0 168.284 2.313 10 30 AEEERN C[C@@]12CC[C@H](C=O)CC1=C[C@H](O)CC2 238523067 573822148 /nfs/dbraw/zinc/82/21/48/573822148.db2.gz VMTNYDZKNUSORR-WCQGTBRESA-N 0 0 194.274 2.073 10 30 AEEERN C=C[C@]12CC(=C)C[C@H]1CC(=O)C2 238129248 573824188 /nfs/dbraw/zinc/82/41/88/573824188.db2.gz UQZBTFAKYCWATL-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN CC[C@H](C)C[C@@H]1CC[C@H](C=O)O1 394401732 573824223 /nfs/dbraw/zinc/82/42/23/573824223.db2.gz IPGRUUBOVDZGPY-LPEHRKFASA-N 0 0 170.252 2.169 10 30 AEEERN Cc1ccc([C@@H](C)C=O)s1 84324885 573823958 /nfs/dbraw/zinc/82/39/58/573823958.db2.gz FIZLJMKHUGXKFV-LURJTMIESA-N 0 0 154.234 2.359 10 30 AEEERN N#Cc1ccc(CC=O)s1 306931012 573824007 /nfs/dbraw/zinc/82/40/07/573824007.db2.gz CGBHVDZHJGREBK-ONEGZZNKSA-N 0 0 151.190 2.148 10 30 AEEERN C=C[C@]12C=CC=C[C@H](C=C1)C2=O 238129192 573824024 /nfs/dbraw/zinc/82/40/24/573824024.db2.gz ASLYKPXKYHGLNS-KOLCDFICSA-N 0 0 158.200 2.040 10 30 AEEERN C=C(C)[C@@H]1O[C@@H]1/C=C/Br 238130249 573824067 /nfs/dbraw/zinc/82/40/67/573824067.db2.gz ZEOSKUHOFQPEKP-OHUBKANTSA-N 0 0 189.052 2.239 10 30 AEEERN CSc1cc(CS)ccc1N 259202966 573824110 /nfs/dbraw/zinc/82/41/10/573824110.db2.gz NFCPRCSRFLKJSO-UHFFFAOYSA-N 0 0 185.317 2.421 10 30 AEEERN C=C(C)[C@@H]1C[C@H](C=O)C1(C)C 238129008 573824124 /nfs/dbraw/zinc/82/41/24/573824124.db2.gz LQQWOXOBMYXGDW-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H](C=O)[C@@H]1Cc2cccc(F)c2C1 257884461 573824125 /nfs/dbraw/zinc/82/41/25/573824125.db2.gz VYPFIJVGZNKYQD-WCBMZHEXSA-N 0 0 192.233 2.376 10 30 AEEERN C=C[C@]12CC(=C)C[C@@H]1CC(=O)C2 238129219 573824149 /nfs/dbraw/zinc/82/41/49/573824149.db2.gz UQZBTFAKYCWATL-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN CCCC[C@@H](C#N)NCC1CC1 41053312 573825206 /nfs/dbraw/zinc/82/52/06/573825206.db2.gz MVJNVWABMGUPKL-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN [N-]=[N+]=Nc1nccnc1Cl 238525306 573825133 /nfs/dbraw/zinc/82/51/33/573825133.db2.gz PGROBCANZPUAMB-UHFFFAOYSA-N 0 0 155.548 2.072 10 30 AEEERN C[C@]12C=C[C@H](CC1)C[C@@]2(C#N)C=O 238525665 573825250 /nfs/dbraw/zinc/82/52/50/573825250.db2.gz UCQSYIGQSOKLML-OUAUKWLOSA-N 0 0 175.231 2.071 10 30 AEEERN CCCCC[C@@H](C)N[C@H](C)C#N 43515382 573826887 /nfs/dbraw/zinc/82/68/87/573826887.db2.gz JLENNJBEOCWEDP-NXEZZACHSA-N 0 0 168.284 2.457 10 30 AEEERN Cc1cc(F)c([C@@H]2CO2)cc1F 87206981 573827763 /nfs/dbraw/zinc/82/77/63/573827763.db2.gz BUTVFMWNEOOJHP-VIFPVBQESA-N 0 0 170.158 2.345 10 30 AEEERN CO[C@H](Cc1ccccc1)[C@H](C)C=O 215412710 573827808 /nfs/dbraw/zinc/82/78/08/573827808.db2.gz JMMNKZDECGLJTL-ZYHUDNBSSA-N 0 0 192.258 2.079 10 30 AEEERN C=C[C@@H]1C(=O)N[C@@H]1/C=C\c1ccccc1 308754295 573828001 /nfs/dbraw/zinc/82/80/01/573828001.db2.gz PZDBUXSELULTIH-RZRXIGATSA-N 0 0 199.253 2.000 10 30 AEEERN C/C=C(/CC)C(=O)c1cnn(CC)c1 308445698 573828057 /nfs/dbraw/zinc/82/80/57/573828057.db2.gz NZHFBHHNOFKIOI-WTKPLQERSA-N 0 0 192.262 2.442 10 30 AEEERN Cc1ccc2cc[nH]c2c1C#N 238526974 573828118 /nfs/dbraw/zinc/82/81/18/573828118.db2.gz OQWNBJBWYZFSLO-UHFFFAOYSA-N 0 0 156.188 2.348 10 30 AEEERN CCc1cc([C@@H](C#N)C2CC2)on1 259573867 573828175 /nfs/dbraw/zinc/82/81/75/573828175.db2.gz DNVXRSILUUJVAI-VIFPVBQESA-N 0 0 176.219 2.254 10 30 AEEERN Cc1ccc2cnoc2c1C#N 238531372 573828221 /nfs/dbraw/zinc/82/82/21/573828221.db2.gz ODNBJHPGTBCIRQ-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN Cn1c(CCC=O)cc2ccccc21 238531167 573828241 /nfs/dbraw/zinc/82/82/41/573828241.db2.gz ACCFYIKMUVWVNF-UHFFFAOYSA-N 0 0 187.242 2.310 10 30 AEEERN CCCC[C@H](C#N)N[C@H](C)CC 41053335 573828310 /nfs/dbraw/zinc/82/83/10/573828310.db2.gz BMFQVIOUHKWRMR-NXEZZACHSA-N 0 0 168.284 2.457 10 30 AEEERN Cc1cccc(F)c1CCC=O 238526706 573828345 /nfs/dbraw/zinc/82/83/45/573828345.db2.gz AEBIAZWAHXFFQW-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN CCCC[C@H](C#N)N(CC)CC 41053497 573828392 /nfs/dbraw/zinc/82/83/92/573828392.db2.gz CFARCVWSLVRDAB-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN CC(C)[C@H](C#N)c1ccncc1 84329642 573828422 /nfs/dbraw/zinc/82/84/22/573828422.db2.gz PSJPCGFUNJXNKO-JTQLQIEISA-N 0 0 160.220 2.345 10 30 AEEERN N#CCc1nccc(C(F)F)c1F 238526900 573828433 /nfs/dbraw/zinc/82/84/33/573828433.db2.gz IAHYGSFHIWKVOM-UHFFFAOYSA-N 0 0 186.136 2.224 10 30 AEEERN C=CCc1cccc(C(C)=O)n1 238146384 573828537 /nfs/dbraw/zinc/82/85/37/573828537.db2.gz DPTKJYGSCLBYDQ-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CC[C@H]1C 715022510 573828624 /nfs/dbraw/zinc/82/86/24/573828624.db2.gz IJFVXBGVNRSWFB-IVZWLZJFSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](O)CCCC(C)C 238147697 573828673 /nfs/dbraw/zinc/82/86/73/573828673.db2.gz VBZPBTKMXKCXOP-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN Cc1ccc([C@@]2(C)C[C@@H]2C=O)cc1 238526836 573828814 /nfs/dbraw/zinc/82/88/14/573828814.db2.gz WLOIQNZHWMUBKT-VXGBXAGGSA-N 0 0 174.243 2.472 10 30 AEEERN CC(C)[C@@H](C#N)c1ccncc1 84329640 573828972 /nfs/dbraw/zinc/82/89/72/573828972.db2.gz PSJPCGFUNJXNKO-SNVBAGLBSA-N 0 0 160.220 2.345 10 30 AEEERN CC(C)(C)[C@@H](O)CC#Cn1cccc1 238146551 573828976 /nfs/dbraw/zinc/82/89/76/573828976.db2.gz VTQRJGCLXBEDGG-NSHDSACASA-N 0 0 191.274 2.094 10 30 AEEERN N#CCc1cc(C(F)F)ccn1 238526724 573829208 /nfs/dbraw/zinc/82/92/08/573829208.db2.gz BEOVEIFCLZRLPW-UHFFFAOYSA-N 0 0 168.146 2.085 10 30 AEEERN O=C[C@](F)(Cl)Cc1ccccc1 238531502 573829264 /nfs/dbraw/zinc/82/92/64/573829264.db2.gz ZYQYEFVXOKNJPR-VIFPVBQESA-N 0 0 186.613 2.333 10 30 AEEERN CC(C)=CC(=O)[C@]1(C)CCCO1 87226690 573833989 /nfs/dbraw/zinc/83/39/89/573833989.db2.gz XGCONRNFUUOIHU-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CCCCCCO[C@H](C)C#N 43522639 573832633 /nfs/dbraw/zinc/83/26/33/573832633.db2.gz KLRYQGZRYZIEOK-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN Cc1ccc([C@@H](O)CS)s1 258142662 573832682 /nfs/dbraw/zinc/83/26/82/573832682.db2.gz MONKCVQIMATEHI-LURJTMIESA-N 0 0 174.290 2.020 10 30 AEEERN C#Cc1cc(C=O)c(C)cc1C 238533222 573832687 /nfs/dbraw/zinc/83/26/87/573832687.db2.gz ROCQJUVPUGTOMC-UHFFFAOYSA-N 0 0 158.200 2.097 10 30 AEEERN C=C(C)COc1cccc(CNO)c1 258142935 573832690 /nfs/dbraw/zinc/83/26/90/573832690.db2.gz SQWMLYCCPMQOPL-UHFFFAOYSA-N 0 0 193.246 2.120 10 30 AEEERN Cc1c(CC#N)cnc(C(F)F)c1O 238533365 573832694 /nfs/dbraw/zinc/83/26/94/573832694.db2.gz WDXCOQLYSBPAMJ-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C(C)[C@H]1CC[C@](C)(C=O)C(=O)C1 238147687 573832714 /nfs/dbraw/zinc/83/27/14/573832714.db2.gz XQXOMXFJZIRZQR-GXSJLCMTSA-N 0 0 180.247 2.137 10 30 AEEERN CC[C@@H]1CC2=C(NCCCC2)C1=O 100828328 573832798 /nfs/dbraw/zinc/83/27/98/573832798.db2.gz RXFDRMNPYAIRFJ-MRVPVSSYSA-N 0 0 179.263 2.013 10 30 endogenous,in-man AEEERN Cc1cc(C#N)cc(C)c1N(C)C 5159978 573832949 /nfs/dbraw/zinc/83/29/49/573832949.db2.gz GQYWEARFXOQOMB-UHFFFAOYSA-N 0 0 174.247 2.241 10 30 AEEERN C=C(C)[C@H]1C[C@@H](C=O)C1(C)C 238149206 573832996 /nfs/dbraw/zinc/83/29/96/573832996.db2.gz LQQWOXOBMYXGDW-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN C[NH+](C)[C@H](CCS)c1cccnc1 259206663 573833046 /nfs/dbraw/zinc/83/30/46/573833046.db2.gz AAQKAHVWHRHUAZ-SNVBAGLBSA-N 0 0 196.319 2.004 10 30 AEEERN CC(C)CCCO[C@@H](C)C#N 43522627 573833101 /nfs/dbraw/zinc/83/31/01/573833101.db2.gz PMQHRSIJQRIMJW-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CCC[C@@H](O)CN=Nc1ccccc1 308446183 573833103 /nfs/dbraw/zinc/83/31/03/573833103.db2.gz MIYFJWRJEVKUHQ-LLVKDONJSA-N 0 0 192.262 2.245 10 30 AEEERN COc1ccc(CO[C@H](C)C#N)cc1 43522594 573833180 /nfs/dbraw/zinc/83/31/80/573833180.db2.gz APBYXTSHPSFRQR-SECBINFHSA-N 0 0 191.230 2.124 10 30 AEEERN CC(C)N(CC(F)(F)F)[C@H](C)C#N 43522419 573833226 /nfs/dbraw/zinc/83/32/26/573833226.db2.gz XXQIWCKDOCLWIX-SSDOTTSWSA-N 0 0 194.200 2.171 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CC[C@@H]1C 715022512 573833281 /nfs/dbraw/zinc/83/32/81/573833281.db2.gz IJFVXBGVNRSWFB-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN N#Cc1ccc2c(c1)sc1nccn12 259205901 573833431 /nfs/dbraw/zinc/83/34/31/573833431.db2.gz NOEZBUVIDIVDMH-UHFFFAOYSA-N 0 0 199.238 2.421 10 30 AEEERN C1CCCC([C@@H]2CO2)CC1 84330607 573833536 /nfs/dbraw/zinc/83/35/36/573833536.db2.gz ZAGSVJVGAXKZGL-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN N#Cc1cc(Cl)cc2c[nH]nc12 238533666 573833600 /nfs/dbraw/zinc/83/36/00/573833600.db2.gz YHAJIQALERJHBV-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN Cc1nc(C#N)c(-c2occc2C)o1 259622900 573833605 /nfs/dbraw/zinc/83/36/05/573833605.db2.gz GYNFXXHUSXJITN-UHFFFAOYSA-N 0 0 188.186 2.423 10 30 AEEERN C1CCCC([C@H]2CO2)CC1 84330609 573833625 /nfs/dbraw/zinc/83/36/25/573833625.db2.gz ZAGSVJVGAXKZGL-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN CCCN(CC(F)(F)F)[C@H](C)C#N 43522415 573833628 /nfs/dbraw/zinc/83/36/28/573833628.db2.gz WGVLVKKHQXAPDE-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN C=C[C@]1(C)C[C@H]1[C@@H](O)C(=C)C 238141735 573833635 /nfs/dbraw/zinc/83/36/35/573833635.db2.gz NGPIIVKUVBIKLG-LPEHRKFASA-N 0 0 152.237 2.136 10 30 AEEERN Cc1ncsc1[C@@H](C)CC#N 84331048 573833661 /nfs/dbraw/zinc/83/36/61/573833661.db2.gz YIOBMVDWGXLOOA-LURJTMIESA-N 0 0 166.249 2.469 10 30 AEEERN CC(C)(C=O)C1CCSCC1 238156188 573833734 /nfs/dbraw/zinc/83/37/34/573833734.db2.gz MAGAWIXBWAQKGE-UHFFFAOYSA-N 0 0 172.293 2.355 10 30 AEEERN CC(C)(C)c1ccnc(CCC#N)n1 259206527 573833837 /nfs/dbraw/zinc/83/38/37/573833837.db2.gz WYXLWHDSXVTSBM-UHFFFAOYSA-N 0 0 189.262 2.230 10 30 AEEERN N#C[C@@H]1CCc2nc(Cl)ccc21 238533052 573833873 /nfs/dbraw/zinc/83/38/73/573833873.db2.gz MWBKPPOSHZMKLS-LURJTMIESA-N 0 0 178.622 2.288 10 30 AEEERN C=CC/C(=C\C(=C)C)CO 238155414 573833893 /nfs/dbraw/zinc/83/38/93/573833893.db2.gz DKNFUWXQRLZCGY-RMKNXTFCSA-N 0 0 138.210 2.057 10 30 AEEERN CC(C)(C=O)C(=O)c1cccs1 238155717 573834121 /nfs/dbraw/zinc/83/41/21/573834121.db2.gz RDKRCDLKJAFSAV-UHFFFAOYSA-N 0 0 182.244 2.156 10 30 AEEERN C#Cc1cc(C)cc2cc[nH]c12 238533515 573834141 /nfs/dbraw/zinc/83/41/41/573834141.db2.gz JAEKQQAZNASWEK-UHFFFAOYSA-N 0 0 155.200 2.458 10 30 AEEERN COc1ccc(CO[C@@H](C)C#N)cc1 43522592 573834182 /nfs/dbraw/zinc/83/41/82/573834182.db2.gz APBYXTSHPSFRQR-VIFPVBQESA-N 0 0 191.230 2.124 10 30 AEEERN COc1cc(C)cc(C)c1[C@@H](N)S 259573403 573834260 /nfs/dbraw/zinc/83/42/60/573834260.db2.gz VTRVICIQELIGQQ-JTQLQIEISA-N 0 0 197.303 2.199 10 30 AEEERN O=C[C@]1(F)CCCc2ccccc21 238532618 573834419 /nfs/dbraw/zinc/83/44/19/573834419.db2.gz JXYXXZKUXODEFD-LLVKDONJSA-N 0 0 178.206 2.387 10 30 AEEERN C=CCc1ccc(C(C)=O)cn1 238140795 573834329 /nfs/dbraw/zinc/83/43/29/573834329.db2.gz OIJHTWGVRGCOOJ-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN CC1CCC([C@@H](C#N)NC2CC2)CC1 84339563 573834369 /nfs/dbraw/zinc/83/43/69/573834369.db2.gz LQQGBKWUJHBLAH-RTYFJBAXSA-N 0 0 192.306 2.457 10 30 AEEERN C[NH+](C)[C@@H](CCS)c1cccnc1 259206660 573834397 /nfs/dbraw/zinc/83/43/97/573834397.db2.gz AAQKAHVWHRHUAZ-JTQLQIEISA-N 0 0 196.319 2.004 10 30 AEEERN N#Cc1nccc2oc3c(c12)CCC3 259622921 573834442 /nfs/dbraw/zinc/83/44/42/573834442.db2.gz GYXIOMVOTHBJSN-UHFFFAOYSA-N 0 0 184.198 2.188 10 30 AEEERN C=CCC(=O)Nc1ccc(F)cc1 238531968 573836042 /nfs/dbraw/zinc/83/60/42/573836042.db2.gz RKCYFRWXAQGTDW-UHFFFAOYSA-N 0 0 179.194 2.340 10 30 AEEERN C=C[C@H](F)CCCCC=O 238533579 573836080 /nfs/dbraw/zinc/83/60/80/573836080.db2.gz GRZQOKXGRQXOIO-QMMMGPOBSA-N 0 0 144.189 2.270 10 30 AEEERN C=CC(C)(C)[C@@H]1C=CNC(Cl)=N1 238154630 573837311 /nfs/dbraw/zinc/83/73/11/573837311.db2.gz FVLXYSSDNCUEGG-ZETCQYMHSA-N 0 0 184.670 2.279 10 30 AEEERN COc1cc(O)ccc1[C@H](C)CC=O 258152896 573836181 /nfs/dbraw/zinc/83/61/81/573836181.db2.gz UFBWCCVLPGUWST-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN CC1CCC([C@@H](C#N)N(C)C)CC1 84339724 573836213 /nfs/dbraw/zinc/83/62/13/573836213.db2.gz RVVIOWYKGTWBBF-VQXHTEKXSA-N 0 0 180.295 2.266 10 30 AEEERN Cc1cc2cccc(CC=O)c2o1 258152571 573836217 /nfs/dbraw/zinc/83/62/17/573836217.db2.gz RBGPVKRFIHMJGA-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN C=C(C)[C@@]12C=C[C@@H](CC1=O)C2 238154889 573836249 /nfs/dbraw/zinc/83/62/49/573836249.db2.gz HDRFPWVREKSSGB-WPRPVWTQSA-N 0 0 148.205 2.098 10 30 AEEERN COc1cc(C)cc(C)c1[C@H](N)S 259573405 573836284 /nfs/dbraw/zinc/83/62/84/573836284.db2.gz VTRVICIQELIGQQ-SNVBAGLBSA-N 0 0 197.303 2.199 10 30 AEEERN COCc1cc(F)ccc1CCC=O 258153086 573837317 /nfs/dbraw/zinc/83/73/17/573837317.db2.gz UKNOVTAIWHDELF-UHFFFAOYSA-N 0 0 196.221 2.104 10 30 AEEERN CCCN(CC(F)(F)F)[C@@H](C)C#N 43522413 573836478 /nfs/dbraw/zinc/83/64/78/573836478.db2.gz WGVLVKKHQXAPDE-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN C=CC(C)(C)[C@H]1SCCC1=O 238154657 573836480 /nfs/dbraw/zinc/83/64/80/573836480.db2.gz KMASVYKYOKAMDO-QMMMGPOBSA-N 0 0 170.277 2.273 10 30 AEEERN CCC[C@@H](C)C(=O)OC(C)(C)C#N 308449354 573836489 /nfs/dbraw/zinc/83/64/89/573836489.db2.gz CSVRGERAMFIADW-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@H](CC=O)[C@@H](O)C1 238155416 573836522 /nfs/dbraw/zinc/83/65/22/573836522.db2.gz JLGPHRVTSWOOCG-MXWKQRLJSA-N 0 0 198.306 2.399 10 30 AEEERN CC1CCC([C@H](C#N)N(C)C)CC1 84339725 573836676 /nfs/dbraw/zinc/83/66/76/573836676.db2.gz RVVIOWYKGTWBBF-ILDUYXDCSA-N 0 0 180.295 2.266 10 30 AEEERN CC1CCC([C@H](C#N)NC2CC2)CC1 84339564 573837334 /nfs/dbraw/zinc/83/73/34/573837334.db2.gz LQQGBKWUJHBLAH-CBINBANVSA-N 0 0 192.306 2.457 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@H](CC=O)O1 238155391 573836812 /nfs/dbraw/zinc/83/68/12/573836812.db2.gz KTYOBRWFLJCRRO-BDAKNGLRSA-N 0 0 170.252 2.169 10 30 AEEERN COc1cccc2c(C)c(C#N)cnc12 257886678 573836840 /nfs/dbraw/zinc/83/68/40/573836840.db2.gz SUBHLRZJQZLDDW-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN CCN[C@H](C#N)C1CCC(C)CC1 84339558 573836889 /nfs/dbraw/zinc/83/68/89/573836889.db2.gz UUTMCFNHIAADFY-VQXHTEKXSA-N 0 0 180.295 2.314 10 30 AEEERN Cc1c[nH]c(=O)c(C(F)F)c1CC#N 238533340 573836957 /nfs/dbraw/zinc/83/69/57/573836957.db2.gz BAZZGZMSVKKTHO-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1nc([C@H](C)CC#N)oc1C 84330194 573836976 /nfs/dbraw/zinc/83/69/76/573836976.db2.gz FQMGOXHQNWEEPE-ZCFIWIBFSA-N 0 0 164.208 2.309 10 30 AEEERN C=C(C)[C@H](O)[C@@H](C#N)c1ccccc1 238141400 573836979 /nfs/dbraw/zinc/83/69/79/573836979.db2.gz REUKSPHDJOGLOM-RYUDHWBXSA-N 0 0 187.242 2.231 10 30 AEEERN CC(C)[C@@H](C#C[Si](C)(C)C)CO 238154644 573837008 /nfs/dbraw/zinc/83/70/08/573837008.db2.gz TWBBSWRHYJEEBO-JTQLQIEISA-N 0 0 184.355 2.132 10 30 AEEERN C#CCONC[C@H](CC)CCCC 308448058 573837010 /nfs/dbraw/zinc/83/70/10/573837010.db2.gz CBPHEALLRSAOFD-LLVKDONJSA-N 0 0 183.295 2.357 10 30 AEEERN C=C1C(=O)C(C)=CC(C)=C1C 238532800 573837011 /nfs/dbraw/zinc/83/70/11/573837011.db2.gz QFPUTPSLNYKYBD-UHFFFAOYSA-N 0 0 148.205 2.408 10 30 AEEERN Cc1cc(C)c(C#CC=O)c(C)c1 238533299 573837036 /nfs/dbraw/zinc/83/70/36/573837036.db2.gz HDBRXARMUILYTE-UHFFFAOYSA-N 0 0 172.227 2.162 10 30 AEEERN CC(C)(C=O)C1=CCCC1 238155995 573837056 /nfs/dbraw/zinc/83/70/56/573837056.db2.gz UQIVFMWQDAMKOO-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C/C(=C\c1ccccc1)[C@@H](O)CC#N 308448429 573837099 /nfs/dbraw/zinc/83/70/99/573837099.db2.gz OIFVDUOAAVYZEC-VMPCVLLUSA-N 0 0 187.242 2.364 10 30 AEEERN C=CC[C@H](C)[C@]1(O)C[C@H](C)O[C@H]1C 715024363 573837133 /nfs/dbraw/zinc/83/71/33/573837133.db2.gz NDSHKULNZRAIOZ-XWLWVQCSSA-N 0 0 184.279 2.127 10 30 AEEERN CCN[C@@H](C#N)C1CCC(C)CC1 84339557 573837200 /nfs/dbraw/zinc/83/72/00/573837200.db2.gz UUTMCFNHIAADFY-ILDUYXDCSA-N 0 0 180.295 2.314 10 30 AEEERN CO[C@H](CC=O)C1CCCCC1 258443207 573848915 /nfs/dbraw/zinc/84/89/15/573848915.db2.gz FEMYSNVUBYPHBI-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN Cc1nsc2ncc(C#N)c(C)c12 238534337 573839738 /nfs/dbraw/zinc/83/97/38/573839738.db2.gz KAYCKJXCLDDUDM-UHFFFAOYSA-N 0 0 189.243 2.180 10 30 AEEERN Cc1cc(C)c(C(C#N)C#N)cc1O 238534511 573838113 /nfs/dbraw/zinc/83/81/13/573838113.db2.gz VBNKQQSLHKBQTR-UHFFFAOYSA-N 0 0 186.214 2.140 10 30 AEEERN CC[C@@H](C#N)NCCc1ccccc1 43539256 573838136 /nfs/dbraw/zinc/83/81/36/573838136.db2.gz SSOKBBBEYGQOPV-LBPRGKRZSA-N 0 0 188.274 2.121 10 30 AEEERN CN[C@@H](C#N)C[C@H](C)c1ccccc1 43535151 573838253 /nfs/dbraw/zinc/83/82/53/573838253.db2.gz UQUCPIFPDIPFCW-CMPLNLGQSA-N 0 0 188.274 2.292 10 30 AEEERN C=CCc1ccc(C#N)c(C)c1O 238534483 573838327 /nfs/dbraw/zinc/83/83/27/573838327.db2.gz QQVHIVYHSVXSCG-UHFFFAOYSA-N 0 0 173.215 2.301 10 30 AEEERN CC[C@@H](C#N)NCc1ccc(C)cc1 43539346 573838310 /nfs/dbraw/zinc/83/83/10/573838310.db2.gz XJEBGTPPCQTYKX-LBPRGKRZSA-N 0 0 188.274 2.387 10 30 AEEERN CC[C@H](C#N)N[C@H](C)c1ccco1 43540049 573838317 /nfs/dbraw/zinc/83/83/17/573838317.db2.gz CPYQYAOTHFNQSV-RKDXNWHRSA-N 0 0 178.235 2.232 10 30 AEEERN CC[C@H](C#N)N[C@H](C)c1ccccn1 43540007 573838357 /nfs/dbraw/zinc/83/83/57/573838357.db2.gz OUADBTVHNRFZLI-NXEZZACHSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@H](C#N)N[C@H](C)c1cccnc1 43539981 573838397 /nfs/dbraw/zinc/83/83/97/573838397.db2.gz SZZZHFAJAOGMPX-MWLCHTKSSA-N 0 0 189.262 2.034 10 30 AEEERN CCCC[C@H](COC)N[C@@H](C#N)CC 308764567 573838406 /nfs/dbraw/zinc/83/84/06/573838406.db2.gz ZROTXCJAYDWHSB-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN N#Cc1cc(Cl)cc2cnoc12 238533995 573839857 /nfs/dbraw/zinc/83/98/57/573839857.db2.gz YHOTWBMUQQBPOY-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN Cc1cc(C#N)c2[nH]c(=S)[nH]c2c1 238534312 573839252 /nfs/dbraw/zinc/83/92/52/573839252.db2.gz XTTUESKIVWHAIM-UHFFFAOYSA-N 0 0 189.243 2.032 10 30 AEEERN CC[C@H](C#N)NCC1CCCC1 43539817 573839340 /nfs/dbraw/zinc/83/93/40/573839340.db2.gz WHUMTNLKWIUXAN-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)c1ccccn1 43540005 573839349 /nfs/dbraw/zinc/83/93/49/573839349.db2.gz OUADBTVHNRFZLI-VHSXEESVSA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(CC#N)NCc1ccccc1 238158932 573839384 /nfs/dbraw/zinc/83/93/84/573839384.db2.gz QKTNZGYFKSFIBG-UHFFFAOYSA-N 0 0 188.274 2.468 10 30 AEEERN CC(C)=CC[C@]12O[C@H]1CC=CC2=O 238158424 573839397 /nfs/dbraw/zinc/83/93/97/573839397.db2.gz SSZHQSZCYUIKIL-WDEREUQCSA-N 0 0 178.231 2.009 10 30 AEEERN N#Cc1ncc(C(F)F)cc1F 238534822 573839438 /nfs/dbraw/zinc/83/94/38/573839438.db2.gz UXOVNCHCLHRDLF-UHFFFAOYSA-N 0 0 172.109 2.030 10 30 AEEERN Cc1cc(C#N)c2c(c1)C(=O)CCC2 238533792 573839444 /nfs/dbraw/zinc/83/94/44/573839444.db2.gz IUMOHAGWWDRKRH-UHFFFAOYSA-N 0 0 185.226 2.386 10 30 AEEERN CC[C@H](C#N)NCC1CCCCC1 43539825 573839465 /nfs/dbraw/zinc/83/94/65/573839465.db2.gz XNNQJTJYSPOUST-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)CC(C)C 43539832 573839514 /nfs/dbraw/zinc/83/95/14/573839514.db2.gz WSNWJDUVNNLDDU-UWVGGRQHSA-N 0 0 168.284 2.313 10 30 AEEERN C=C(C)c1cc(C)nc(C)c1N 238157023 573839517 /nfs/dbraw/zinc/83/95/17/573839517.db2.gz DPJBVDMJSVAZNT-UHFFFAOYSA-N 0 0 162.236 2.314 10 30 AEEERN Cc1cc([C@H](C#N)C(C)C)on1 259573891 573839552 /nfs/dbraw/zinc/83/95/52/573839552.db2.gz DONQKDRHRTWJJV-MRVPVSSYSA-N 0 0 164.208 2.246 10 30 AEEERN O=C[C@H]1CNc2cccc(Cl)c21 258150220 573839688 /nfs/dbraw/zinc/83/96/88/573839688.db2.gz QXEYMEXWMZHIKZ-ZCFIWIBFSA-N 0 0 181.622 2.048 10 30 AEEERN CC[C@@H](C#N)NCC1CCCC1 43539816 573839824 /nfs/dbraw/zinc/83/98/24/573839824.db2.gz WHUMTNLKWIUXAN-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN C#CCCNC(=O)C(C)(C)C(C)(C)C 308760224 573840674 /nfs/dbraw/zinc/84/06/74/573840674.db2.gz XPHAKWUNSKMSGC-UHFFFAOYSA-N 0 0 195.306 2.198 10 30 AEEERN Cc1cc(C#N)c2cccnc2c1O 238534609 573840688 /nfs/dbraw/zinc/84/06/88/573840688.db2.gz VOKBTKGJQVFIBZ-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN Cc1cc(C#N)c2sncc2c1 238535025 573840733 /nfs/dbraw/zinc/84/07/33/573840733.db2.gz GBUDTMSQVRGLQV-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN CC[C@@H](C#N)NCCC1CCCC1 43540370 573840737 /nfs/dbraw/zinc/84/07/37/573840737.db2.gz MKEHKJKHIYIMGM-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN C=C(C)c1ccc(C)c(O)c1CO 238157648 573840771 /nfs/dbraw/zinc/84/07/71/573840771.db2.gz WJWHDOIIMOAZIC-UHFFFAOYSA-N 0 0 178.231 2.226 10 30 AEEERN CC[C@H](C#N)NCCc1cccs1 43539285 573840785 /nfs/dbraw/zinc/84/07/85/573840785.db2.gz NBYYWCSJBIINCB-SECBINFHSA-N 0 0 194.303 2.182 10 30 AEEERN CO/C=C\C#C[Si](C)(C)C 205399228 573840812 /nfs/dbraw/zinc/84/08/12/573840812.db2.gz KHAWMPYFFORPIN-ALCCZGGFSA-N 0 0 154.285 2.027 10 30 AEEERN CC[C@H](C#N)NCc1cccc(C)c1 43540349 573840994 /nfs/dbraw/zinc/84/09/94/573840994.db2.gz DRQAWCRPYDDXAO-GFCCVEGCSA-N 0 0 188.274 2.387 10 30 AEEERN Cc1cc(C#N)c2cnoc2c1 238534690 573841039 /nfs/dbraw/zinc/84/10/39/573841039.db2.gz BJWBLJVNYYQEMR-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN C=C(C)c1ccc(O)c(C#N)c1 238158058 573841044 /nfs/dbraw/zinc/84/10/44/573841044.db2.gz CVIJRQRBOSVPSS-UHFFFAOYSA-N 0 0 159.188 2.297 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)CC(C)C 43539833 573841055 /nfs/dbraw/zinc/84/10/55/573841055.db2.gz WSNWJDUVNNLDDU-VHSXEESVSA-N 0 0 168.284 2.313 10 30 AEEERN Cc1cc(C#N)c2cnsc2c1 238534703 573841060 /nfs/dbraw/zinc/84/10/60/573841060.db2.gz GQRCVOUPRCATKH-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN C=C(C)c1ccc(C(C)(C)O)nc1 238157438 573841083 /nfs/dbraw/zinc/84/10/83/573841083.db2.gz QIPZUTUDTFRHTN-UHFFFAOYSA-N 0 0 177.247 2.342 10 30 AEEERN C=CC(=O)c1oc(C)cc1C 238533955 573841095 /nfs/dbraw/zinc/84/10/95/573841095.db2.gz CYPSWNMCHCZXHP-UHFFFAOYSA-N 0 0 150.177 2.265 10 30 AEEERN Cc1c(C(F)F)cnc(CC#N)c1O 238534348 573841110 /nfs/dbraw/zinc/84/11/10/573841110.db2.gz KHCQSBVJIXQQCB-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CCNC(=O)CCC[Si](C)(C)C 238523280 573841125 /nfs/dbraw/zinc/84/11/25/573841125.db2.gz RINMLNHDLKBAEQ-UHFFFAOYSA-N 0 0 199.370 2.407 10 30 AEEERN Cc1cccc(CC2(C#N)COC2)c1 259210465 573841205 /nfs/dbraw/zinc/84/12/05/573841205.db2.gz SOTNHUYWSXGHEK-UHFFFAOYSA-N 0 0 187.242 2.078 10 30 AEEERN C[C@H]1CCC[C@H](/C=N/O)C1 84346578 573841221 /nfs/dbraw/zinc/84/12/21/573841221.db2.gz DTEBHSSFDSGHSO-YCZQLVKWSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@@H]1CCC[C@H]([C@@H](C#N)N(C)C)C1 84345059 573841378 /nfs/dbraw/zinc/84/13/78/573841378.db2.gz XUDQFMFFGJTEAL-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN CC(C)c1ccc(C[C@@H](N)C#N)cc1 259207828 573841380 /nfs/dbraw/zinc/84/13/80/573841380.db2.gz ZMEHPSAMZMHXAZ-GFCCVEGCSA-N 0 0 188.274 2.203 10 30 AEEERN CC1=NC(c2ccccc2)=CC1=O 238535142 573841382 /nfs/dbraw/zinc/84/13/82/573841382.db2.gz SXDVBEYJMQTFAP-UHFFFAOYSA-N 0 0 171.199 2.071 10 30 AEEERN C[C@@H]1CCC[C@H](/C=N/O)C1 84346575 573841390 /nfs/dbraw/zinc/84/13/90/573841390.db2.gz DTEBHSSFDSGHSO-HWSTVNFDSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@@H]1CCC[C@H]([C@@H](C#N)NC2CC2)C1 84343721 573841446 /nfs/dbraw/zinc/84/14/46/573841446.db2.gz CJCNJKRUVRAJMR-JFGNBEQYSA-N 0 0 192.306 2.457 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CCCC[C@@H]1C 43539280 573841471 /nfs/dbraw/zinc/84/14/71/573841471.db2.gz KLIYSONRGZHWOX-DCAQKATOSA-N 0 0 180.295 2.457 10 30 AEEERN CC1CCC(/C=N/O)CC1 84339974 573841481 /nfs/dbraw/zinc/84/14/81/573841481.db2.gz YGBVLMXFVSZDRO-RMKNXTFCSA-N 0 0 141.214 2.273 10 30 AEEERN C#C[C@H](O)c1ccccc1C(=C)C 238159187 573841520 /nfs/dbraw/zinc/84/15/20/573841520.db2.gz TZBDDBGQKSTNHZ-LBPRGKRZSA-N 0 0 172.227 2.386 10 30 AEEERN CC(C)c1ccc(C[C@H](N)C#N)cc1 259207829 573842555 /nfs/dbraw/zinc/84/25/55/573842555.db2.gz ZMEHPSAMZMHXAZ-LBPRGKRZSA-N 0 0 188.274 2.203 10 30 AEEERN Cc1cc(C)c(C(=O)C#N)cc1C 259209093 573842621 /nfs/dbraw/zinc/84/26/21/573842621.db2.gz PBKSTBWRJANLCU-UHFFFAOYSA-N 0 0 173.215 2.318 10 30 AEEERN CC(C)[C@@H]1C[C@@H](C)C=CC1=O 238158656 573842626 /nfs/dbraw/zinc/84/26/26/573842626.db2.gz HHWMEPKRDOLWKU-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@@H]1CCC[C@@H](/C=N/O)C1 84346582 573842641 /nfs/dbraw/zinc/84/26/41/573842641.db2.gz DTEBHSSFDSGHSO-KCLFSUMYSA-N 0 0 141.214 2.273 10 30 AEEERN COc1ccc(OC)c(C#N)c1Cl 258150636 573842650 /nfs/dbraw/zinc/84/26/50/573842650.db2.gz UCJATNQJNSDSEB-UHFFFAOYSA-N 0 0 197.621 2.229 10 30 AEEERN CC(C)C[C@H](C#N)c1ncc[nH]1 259207875 573842668 /nfs/dbraw/zinc/84/26/68/573842668.db2.gz QSJJXOVGYXYGCD-MRVPVSSYSA-N 0 0 163.224 2.063 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)c1cccnc1 43539980 573842694 /nfs/dbraw/zinc/84/26/94/573842694.db2.gz SZZZHFAJAOGMPX-KOLCDFICSA-N 0 0 189.262 2.034 10 30 AEEERN CC/C=C\COC(=O)CCCC#N 308449707 573842710 /nfs/dbraw/zinc/84/27/10/573842710.db2.gz CTTBVFPBNRHYBW-UTCJRWHESA-N 0 0 181.235 2.190 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)c1ccco1 43540048 573842721 /nfs/dbraw/zinc/84/27/21/573842721.db2.gz CPYQYAOTHFNQSV-BDAKNGLRSA-N 0 0 178.235 2.232 10 30 AEEERN C[C@H]1CCC[C@@H](/C=N/O)C1 84346586 573842817 /nfs/dbraw/zinc/84/28/17/573842817.db2.gz DTEBHSSFDSGHSO-HNEQRXQUSA-N 0 0 141.214 2.273 10 30 AEEERN CC[C@H](C#N)NCc1ccccc1C 43540339 573842882 /nfs/dbraw/zinc/84/28/82/573842882.db2.gz LDYUFMHKVOSSSY-GFCCVEGCSA-N 0 0 188.274 2.387 10 30 AEEERN C[C@@H]1CCC[C@@H]([C@@H](C#N)N(C)C)C1 84345068 573842909 /nfs/dbraw/zinc/84/29/09/573842909.db2.gz XUDQFMFFGJTEAL-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN COCc1cc(Cl)ccc1C#N 258150573 573842967 /nfs/dbraw/zinc/84/29/67/573842967.db2.gz UAOKBFMGKJHTTF-UHFFFAOYSA-N 0 0 181.622 2.358 10 30 AEEERN C=C(C)c1ccccc(=O)c1 238158675 573842977 /nfs/dbraw/zinc/84/29/77/573842977.db2.gz HVPJISGFCBQZBB-UHFFFAOYSA-N 0 0 146.189 2.080 10 30 AEEERN [N-]=[N+]=Nc1ccccc1-c1nc[nH]n1 238536501 573843013 /nfs/dbraw/zinc/84/30/13/573843013.db2.gz YRJYKAXORGDCFD-UHFFFAOYSA-N 0 0 186.178 2.414 10 30 AEEERN Cc1nc(-c2ccoc2)oc1CC#N 238537169 573843022 /nfs/dbraw/zinc/84/30/22/573843022.db2.gz SLEGZBIAHJDJGU-UHFFFAOYSA-N 0 0 188.186 2.309 10 30 AEEERN Cc1nc(F)c(C(F)F)cc1C#N 238536465 573843062 /nfs/dbraw/zinc/84/30/62/573843062.db2.gz XRXYKKIMKBCZKH-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1cc(C)cc(-n2ccc(C#N)n2)c1 258967462 573843093 /nfs/dbraw/zinc/84/30/93/573843093.db2.gz COJTYOPYFNJVMJ-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=CC[C@H]1OC(=O)N[C@H]1C(C)(C)C 238157901 573843127 /nfs/dbraw/zinc/84/31/27/573843127.db2.gz MTZLCVGJWYMTDA-HTQZYQBOSA-N 0 0 183.251 2.086 10 30 AEEERN Cc1ccc2nc(N=[N+]=[N-])nnc2c1 238535965 573843165 /nfs/dbraw/zinc/84/31/65/573843165.db2.gz UJQQQLIFCSTYLK-UHFFFAOYSA-N 0 0 186.178 2.275 10 30 AEEERN CCC[C@H](C#N)OC(=O)C=C(C)C 308450546 573843185 /nfs/dbraw/zinc/84/31/85/573843185.db2.gz DHSOJWYLVGTVDG-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCOc1c(C)cccc1O 238535658 573843222 /nfs/dbraw/zinc/84/32/22/573843222.db2.gz AWZMFTWLBRLVLR-UHFFFAOYSA-N 0 0 164.204 2.265 10 30 AEEERN [N-]=[N+]=Nc1cccnc1-n1cccn1 238536615 573843357 /nfs/dbraw/zinc/84/33/57/573843357.db2.gz CSKRBFAXYPLRQW-UHFFFAOYSA-N 0 0 186.178 2.209 10 30 AEEERN CCOc1cccc([C@@](C)(F)C=O)c1 257887479 573843370 /nfs/dbraw/zinc/84/33/70/573843370.db2.gz WLYTVCOTOGHGOT-NSHDSACASA-N 0 0 196.221 2.469 10 30 AEEERN CCOc1ccc([C@H](F)C=O)cc1 257887329 573843442 /nfs/dbraw/zinc/84/34/42/573843442.db2.gz MWIUPOYPNQROHT-SNVBAGLBSA-N 0 0 182.194 2.295 10 30 AEEERN CC[C@H](C#N)Oc1ccc(OC)cc1 43557051 573843483 /nfs/dbraw/zinc/84/34/83/573843483.db2.gz YRJWBJJEWDIHJG-SECBINFHSA-N 0 0 191.230 2.376 10 30 AEEERN Cc1nc2ccccn2c1C(C)(C)C#N 214982463 573843546 /nfs/dbraw/zinc/84/35/46/573843546.db2.gz YAWZQNJASMKMGZ-UHFFFAOYSA-N 0 0 199.257 2.444 10 30 AEEERN CCOc1cccc([C@](C)(F)C=O)c1 257887478 573843678 /nfs/dbraw/zinc/84/36/78/573843678.db2.gz WLYTVCOTOGHGOT-LLVKDONJSA-N 0 0 196.221 2.469 10 30 AEEERN CC[C@H](C#N)Oc1cccc(OC)c1 43556980 573843842 /nfs/dbraw/zinc/84/38/42/573843842.db2.gz UPLFPLOQNPRDGC-SECBINFHSA-N 0 0 191.230 2.376 10 30 AEEERN CCCCCO[C@@H](C#N)CC 43557319 573843849 /nfs/dbraw/zinc/84/38/49/573843849.db2.gz AIYVJVDNIPPQRQ-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN CC[C@@H](C#N)N(CC)Cc1ccco1 43556507 573843899 /nfs/dbraw/zinc/84/38/99/573843899.db2.gz HTHBWXHZJMJAMG-JTQLQIEISA-N 0 0 192.262 2.404 10 30 AEEERN CC[C@H](C#N)N(CC1CC1)C(C)C 43556769 573843906 /nfs/dbraw/zinc/84/39/06/573843906.db2.gz MTZYFVKRZUNXAD-LLVKDONJSA-N 0 0 180.295 2.409 10 30 AEEERN C/C=C\C(=O)[C@@H]1Cc2ccccc2O1 221403661 573844765 /nfs/dbraw/zinc/84/47/65/573844765.db2.gz YAZBCVHBWODWIT-PZBKNZOISA-N 0 0 188.226 2.135 10 30 AEEERN CC[C@H](C#N)N(C)[C@@H](C)C1CC1 43556340 573844724 /nfs/dbraw/zinc/84/47/24/573844724.db2.gz VXRRKPUEZJNPJJ-WCBMZHEXSA-N 0 0 166.268 2.019 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1ccc(C)o1 43556298 573844738 /nfs/dbraw/zinc/84/47/38/573844738.db2.gz KRQSSSXWLXFGIK-JTQLQIEISA-N 0 0 192.262 2.322 10 30 AEEERN C=C[C@H](C=C(C)C)CCO 238168560 573844739 /nfs/dbraw/zinc/84/47/39/573844739.db2.gz KRCCQTZUMRSWOJ-VIFPVBQESA-N 0 0 140.226 2.137 10 30 AEEERN CCCCCN(C)[C@H](C#N)CC 43556273 573844807 /nfs/dbraw/zinc/84/48/07/573844807.db2.gz YQTZDPJALDLORO-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN COc1cccc(C2(C=O)CCC2)c1 84350030 573844831 /nfs/dbraw/zinc/84/48/31/573844831.db2.gz RVMAJTQIFTWHCY-UHFFFAOYSA-N 0 0 190.242 2.316 10 30 AEEERN CC[C@H](C#N)N(C)[C@@H](C)C(C)C 43556344 573844844 /nfs/dbraw/zinc/84/48/44/573844844.db2.gz UBUULQZNLGWRIX-VHSXEESVSA-N 0 0 168.284 2.265 10 30 AEEERN SC1(C2CCCCC2)COC1 258517050 573844848 /nfs/dbraw/zinc/84/48/48/573844848.db2.gz GPYLFKOSPXFXET-UHFFFAOYSA-N 0 0 172.293 2.266 10 30 AEEERN N#CC[C@@H]1CCSCC[C@H]1F 259623347 573844849 /nfs/dbraw/zinc/84/48/49/573844849.db2.gz GJOQLKQEAXLEFT-HTQZYQBOSA-N 0 0 173.256 2.381 10 30 AEEERN C=CCC[C@@H]([NH3+])c1ncccc1F 131345325 573844870 /nfs/dbraw/zinc/84/48/70/573844870.db2.gz FTYKTSWLUHNADJ-SECBINFHSA-N 0 0 180.226 2.187 10 30 AEEERN N#Cc1c(Cl)ccc2cnoc12 238537398 573844900 /nfs/dbraw/zinc/84/49/00/573844900.db2.gz BXWBLBHTQXEXNP-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN Cc1nc(F)cc(C#N)c1C(F)F 238537762 573847923 /nfs/dbraw/zinc/84/79/23/573847923.db2.gz OTVXCYNAFMZJAW-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1cc(CCC=O)cc(C#N)c1C 258160680 573844989 /nfs/dbraw/zinc/84/49/89/573844989.db2.gz VBMLPRPLSXQBMH-UHFFFAOYSA-N 0 0 187.242 2.307 10 30 AEEERN CC[C@@H](C#N)Oc1ccccc1OC 43557039 573845010 /nfs/dbraw/zinc/84/50/10/573845010.db2.gz WIUADZZFYZJHMO-VIFPVBQESA-N 0 0 191.230 2.376 10 30 AEEERN C=C(C)c1ccccc1[C@H](N)C#N 238159276 573845025 /nfs/dbraw/zinc/84/50/25/573845025.db2.gz CVXQYANELSHNNQ-LLVKDONJSA-N 0 0 172.231 2.243 10 30 AEEERN C=C(C)c1cnccc1CC#N 238159874 573845038 /nfs/dbraw/zinc/84/50/38/573845038.db2.gz SYUKAZYPEOVZEF-UHFFFAOYSA-N 0 0 158.204 2.181 10 30 AEEERN CO[C@@H](C)c1cccc(CC#N)c1 259574078 573845065 /nfs/dbraw/zinc/84/50/65/573845065.db2.gz WRQQMWHQTGAYNZ-VIFPVBQESA-N 0 0 175.231 2.460 10 30 AEEERN C=C(C)c1nnc([C@@H](N)C(C)(C)C)o1 238160361 573845076 /nfs/dbraw/zinc/84/50/76/573845076.db2.gz GZDABMVWHZMFDK-SSDOTTSWSA-N 0 0 195.266 2.149 10 30 AEEERN C=C(C)c1cnc(Cl)cc1N 238159600 573845146 /nfs/dbraw/zinc/84/51/46/573845146.db2.gz SKYNJWOXQCAQAZ-UHFFFAOYSA-N 0 0 168.627 2.350 10 30 AEEERN C=C(C)c1cnc2ccccn12 238159735 573845188 /nfs/dbraw/zinc/84/51/88/573845188.db2.gz IYMRPIHKLWJPSU-UHFFFAOYSA-N 0 0 158.204 2.367 10 30 AEEERN Cc1nc(-c2ccco2)oc1CC#N 238536445 573845211 /nfs/dbraw/zinc/84/52/11/573845211.db2.gz IKMMLPLSBIQOMO-UHFFFAOYSA-N 0 0 188.186 2.309 10 30 AEEERN C=CCCC1CSC(=NCC)N=N1 308452410 573845249 /nfs/dbraw/zinc/84/52/49/573845249.db2.gz DXSRFOXLNJOWGP-UHFFFAOYSA-N 0 0 197.307 2.021 10 30 AEEERN N#Cc1c(Cl)ccc2c[nH]nc12 238537135 573845263 /nfs/dbraw/zinc/84/52/63/573845263.db2.gz AIEGZLAZFZPMPU-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN O=CC[NH2+]Cc1ccc2ccccc2c1 258970076 573845276 /nfs/dbraw/zinc/84/52/76/573845276.db2.gz WXPKDVFFRUIGHP-UHFFFAOYSA-N 0 0 199.253 2.128 10 30 AEEERN CC[C@H](C#N)OCCC(C)C 43557097 573845288 /nfs/dbraw/zinc/84/52/88/573845288.db2.gz QTYSXFNRPCDMQH-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN CO[C@H](C)c1cccc(CC#N)c1 259574076 573845343 /nfs/dbraw/zinc/84/53/43/573845343.db2.gz WRQQMWHQTGAYNZ-SECBINFHSA-N 0 0 175.231 2.460 10 30 AEEERN N#CC[C@@H]1CCSCC[C@@H]1F 259623368 573845399 /nfs/dbraw/zinc/84/53/99/573845399.db2.gz GJOQLKQEAXLEFT-SFYZADRCSA-N 0 0 173.256 2.381 10 30 AEEERN Cc1onc2ccc(C#N)cc12 84326882 573845404 /nfs/dbraw/zinc/84/54/04/573845404.db2.gz OBUFRNZDQDRNCG-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN COc1cccc(CF)c1CCC=O 258160617 573845408 /nfs/dbraw/zinc/84/54/08/573845408.db2.gz UZRNNJOSOPEDHQ-UHFFFAOYSA-N 0 0 196.221 2.296 10 30 AEEERN CCCN(CC1CC1)[C@@H](C#N)CC 43556586 573845456 /nfs/dbraw/zinc/84/54/56/573845456.db2.gz FULKUTLDLIJUCF-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)N(C)Cc1cccs1 43556308 573845498 /nfs/dbraw/zinc/84/54/98/573845498.db2.gz IQCKORMGWUSNPN-SECBINFHSA-N 0 0 194.303 2.482 10 30 AEEERN Cc1cc2c(cc1NCS)OCO2 258970430 573845642 /nfs/dbraw/zinc/84/56/42/573845642.db2.gz VAYMZXHMTSYWTL-UHFFFAOYSA-N 0 0 197.259 2.023 10 30 AEEERN CCCCN(C)[C@H](C#N)CC 43556049 573845634 /nfs/dbraw/zinc/84/56/34/573845634.db2.gz BWZFNWZDTAXVHM-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN CC(C)c1ccc(/C=N/C(N)=O)cc1 238161240 573845648 /nfs/dbraw/zinc/84/56/48/573845648.db2.gz XIVOBUCWTZRMPR-NTUHNPAUSA-N 0 0 190.246 2.308 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(OC)cc1 43557049 573847932 /nfs/dbraw/zinc/84/79/32/573847932.db2.gz YRJWBJJEWDIHJG-VIFPVBQESA-N 0 0 191.230 2.376 10 30 AEEERN Cc1c(C(F)F)[nH]c(CC#N)cc1=O 238537544 573847940 /nfs/dbraw/zinc/84/79/40/573847940.db2.gz LYMFISIYAVXPKU-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1c(C#N)cc(Cl)c2c1OCO2 258158085 573848649 /nfs/dbraw/zinc/84/86/49/573848649.db2.gz UWDHBYWYFZURNY-UHFFFAOYSA-N 0 0 195.605 2.249 10 30 AEEERN N#CC[C@H]1CCSCC[C@@H]1F 259623384 573847956 /nfs/dbraw/zinc/84/79/56/573847956.db2.gz GJOQLKQEAXLEFT-YUMQZZPRSA-N 0 0 173.256 2.381 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1ccsc1 43556310 573847968 /nfs/dbraw/zinc/84/79/68/573847968.db2.gz OTZIULHXGMYPDK-JTQLQIEISA-N 0 0 194.303 2.482 10 30 AEEERN CCC(CC)N(C)[C@@H](C#N)CC 43556347 573848050 /nfs/dbraw/zinc/84/80/50/573848050.db2.gz OOVMZWUSVXQBMI-SNVBAGLBSA-N 0 0 168.284 2.409 10 30 AEEERN N#[N+]N=c1ccc(N2CCCC2)n[n-]1 238537617 573848094 /nfs/dbraw/zinc/84/80/94/573848094.db2.gz WDTKUTJNUSLIEL-UHFFFAOYSA-N 0 0 190.210 2.019 10 30 AEEERN N#CCC#Cc1cccc(F)c1 238537830 573848115 /nfs/dbraw/zinc/84/81/15/573848115.db2.gz DGOYDFDCGJIBDS-UHFFFAOYSA-N 0 0 159.163 2.091 10 30 AEEERN CC[C@@H](C#N)Oc1ccccc1C=O 43542727 573848179 /nfs/dbraw/zinc/84/81/79/573848179.db2.gz GTVFPBOTXXIASL-JTQLQIEISA-N 0 0 189.214 2.180 10 30 AEEERN CO[C@@H](CC=O)C1CCCCC1 258443203 573848250 /nfs/dbraw/zinc/84/82/50/573848250.db2.gz FEMYSNVUBYPHBI-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN C=C(C)[C@](C)(O)[C@@H](O)c1ccccc1 238153096 573848267 /nfs/dbraw/zinc/84/82/67/573848267.db2.gz UZGJTPNZLPDHDK-RYUDHWBXSA-N 0 0 192.258 2.047 10 30 AEEERN CC(C)(C)[C@@H]1CC(=O)[C@@](C)(C=O)C1 238150660 573848429 /nfs/dbraw/zinc/84/84/29/573848429.db2.gz UHHBYBDVPMOHBT-LDYMZIIASA-N 0 0 182.263 2.217 10 30 AEEERN CC[C@H](C#N)N(C)Cc1ccc(C)o1 43556300 573848444 /nfs/dbraw/zinc/84/84/44/573848444.db2.gz KRQSSSXWLXFGIK-SNVBAGLBSA-N 0 0 192.262 2.322 10 30 AEEERN CCCN(CCC)[C@H](C#N)CC 43556023 573848693 /nfs/dbraw/zinc/84/86/93/573848693.db2.gz NGCXOIHYMXSGCW-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN CON(CC(C)(C)C)[C@H](C)CC#N 308453082 573848715 /nfs/dbraw/zinc/84/87/15/573848715.db2.gz FCTOADGDMPRFIR-SECBINFHSA-N 0 0 184.283 2.198 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(C=O)c1 43542711 573848813 /nfs/dbraw/zinc/84/88/13/573848813.db2.gz VXJHELBGYBKVNL-JTQLQIEISA-N 0 0 189.214 2.180 10 30 AEEERN CC[C@H](C#N)Oc1ccc(C=O)cc1 43542701 573848819 /nfs/dbraw/zinc/84/88/19/573848819.db2.gz QYQNMRGEMHMGHS-SNVBAGLBSA-N 0 0 189.214 2.180 10 30 AEEERN CC[C@H](C#N)Oc1ccccc1C=O 43542728 573848908 /nfs/dbraw/zinc/84/89/08/573848908.db2.gz GTVFPBOTXXIASL-SNVBAGLBSA-N 0 0 189.214 2.180 10 30 AEEERN C[C@H](CC#N)C(F)(F)F 84327395 573854474 /nfs/dbraw/zinc/85/44/74/573854474.db2.gz OOBDXEOCTPSMHN-SCSAIBSYSA-N 0 0 137.104 2.098 10 30 AEEERN C[C@H]1C[C@]1(C#N)c1cccc(O)c1 259574862 573849711 /nfs/dbraw/zinc/84/97/11/573849711.db2.gz JQWIPDHSQIHQKO-GZMMTYOYSA-N 0 0 173.215 2.193 10 30 AEEERN CCCN(C1CC1)[C@H](C#N)CC 43556249 573849713 /nfs/dbraw/zinc/84/97/13/573849713.db2.gz UALOFDJLXZIQJU-VIFPVBQESA-N 0 0 166.268 2.163 10 30 AEEERN C=CCCCC(=O)N(C)CCC=C 308452346 573849732 /nfs/dbraw/zinc/84/97/32/573849732.db2.gz DVYZOHQKSYKYFH-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C=C(C)[C@H]1O[C@H]1/C=C/Br 238150676 573849768 /nfs/dbraw/zinc/84/97/68/573849768.db2.gz ZEOSKUHOFQPEKP-HKFDCFJWSA-N 0 0 189.052 2.239 10 30 AEEERN C#CCCCN(OC)C1CCCC1 308453001 573849821 /nfs/dbraw/zinc/84/98/21/573849821.db2.gz FCKRFIWVYYLFTA-UHFFFAOYSA-N 0 0 181.279 2.206 10 30 AEEERN C=C1CC[C@@H]1[C@H](O)CC(C)C 238152970 573849959 /nfs/dbraw/zinc/84/99/59/573849959.db2.gz OGBFEHSEPNUYMN-VHSXEESVSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)(C)[C@@H]1CCC(=O)/C(=N/O)C1 238151767 573850105 /nfs/dbraw/zinc/85/01/05/573850105.db2.gz VBEDBMDDUBRMDB-UEDIXRFOSA-N 0 0 183.251 2.232 10 30 AEEERN CC(C)(C)[C@@H]1CCCC(=O)C1=O 238152256 573850546 /nfs/dbraw/zinc/85/05/46/573850546.db2.gz UTXYMCRKDSBWRV-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 AEEERN C=CC(C)(C)[C@@H](O)C1(C)CC1 238153380 573850143 /nfs/dbraw/zinc/85/01/43/573850143.db2.gz OVIDFNVVWCHIBX-MRVPVSSYSA-N 0 0 154.253 2.360 10 30 AEEERN CC[C@H](C)[N@@H+]1CC[C@H](C#N)[C@@H]1C 259210731 573850189 /nfs/dbraw/zinc/85/01/89/573850189.db2.gz JORWSEXYADZSEG-LPEHRKFASA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)c1cccc(O)c1 259574865 573850249 /nfs/dbraw/zinc/85/02/49/573850249.db2.gz JQWIPDHSQIHQKO-KCJUWKMLSA-N 0 0 173.215 2.193 10 30 AEEERN O=C[C@H]1[C@@H](c2ccccc2)C1(F)F 101151044 573850282 /nfs/dbraw/zinc/85/02/82/573850282.db2.gz PIUAUYYLLNOTIU-DTWKUNHWSA-N 0 0 182.169 2.234 10 30 AEEERN C[C@@H]1C[C@]1(C#N)c1cccc(O)c1 259574871 573850308 /nfs/dbraw/zinc/85/03/08/573850308.db2.gz JQWIPDHSQIHQKO-LDYMZIIASA-N 0 0 173.215 2.193 10 30 AEEERN O[C@@H](CCS)c1ccccc1F 259213040 573850344 /nfs/dbraw/zinc/85/03/44/573850344.db2.gz QZBAIAOASCRFIO-VIFPVBQESA-N 0 0 186.251 2.179 10 30 AEEERN C=C(C)[C@@H]1C(=O)N[C@@H]1c1ccccc1 238152389 573850364 /nfs/dbraw/zinc/85/03/64/573850364.db2.gz HOBCACXTPFYKNA-WDEREUQCSA-N 0 0 187.242 2.050 10 30 AEEERN Cc1cc2c(cc1C#N)CCCC2=O 238539813 573850484 /nfs/dbraw/zinc/85/04/84/573850484.db2.gz VNAXTXRUYPLABZ-UHFFFAOYSA-N 0 0 185.226 2.386 10 30 AEEERN O=C[C@H]1Cc2c(Cl)cccc21 258437064 573850490 /nfs/dbraw/zinc/85/04/90/573850490.db2.gz DQUUUQBQFODJTC-ZCFIWIBFSA-N 0 0 166.607 2.179 10 30 AEEERN C=C(C)[C@](C)(C=O)c1ccco1 238152668 573850492 /nfs/dbraw/zinc/85/04/92/573850492.db2.gz QCTJLGKUAUFNLB-JTQLQIEISA-N 0 0 164.204 2.312 10 30 AEEERN CC[C@@H](CC#N)[N@@H+]1CCC(C)(C)C1 87254238 573851803 /nfs/dbraw/zinc/85/18/03/573851803.db2.gz CTPHFSPEBLZAAQ-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN N#Cc1nc(-c2cccc(F)c2)c[nH]1 238539974 573852379 /nfs/dbraw/zinc/85/23/79/573852379.db2.gz GTTCZHVPYKWQCZ-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN C=C(C)[C@@H]1C(=O)N[C@H]1c1ccccc1 238152444 573851448 /nfs/dbraw/zinc/85/14/48/573851448.db2.gz HOBCACXTPFYKNA-QWRGUYRKSA-N 0 0 187.242 2.050 10 30 AEEERN C#Cc1ccccc1[C@@H](O)C#CC1CC1 238717338 573851471 /nfs/dbraw/zinc/85/14/71/573851471.db2.gz RUCJJVSIHAGUFO-AWEZNQCLSA-N 0 0 196.249 2.115 10 30 AEEERN CC(C)[C@H](C#C[Si](C)(C)C)CO 238151421 573851484 /nfs/dbraw/zinc/85/14/84/573851484.db2.gz TWBBSWRHYJEEBO-SNVBAGLBSA-N 0 0 184.355 2.132 10 30 AEEERN COc1cc(Cl)cc(C#N)c1F 258163125 573851499 /nfs/dbraw/zinc/85/14/99/573851499.db2.gz VGIOYCYKZBZOPS-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN C=CC[C@](F)(C=O)C(=C)C 238153179 573851714 /nfs/dbraw/zinc/85/17/14/573851714.db2.gz OERAEBPSFCKOFR-QMMMGPOBSA-N 0 0 142.173 2.046 10 30 AEEERN Cc1ccc2sc(N)nc2c1C#N 238541431 573851718 /nfs/dbraw/zinc/85/17/18/573851718.db2.gz IHUWZLOVPXSMQJ-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN Cc1nc2c(s1)C[C@@H](C#N)CC2 238540003 573851726 /nfs/dbraw/zinc/85/17/26/573851726.db2.gz KRZGHEZQJQYIPQ-ZETCQYMHSA-N 0 0 178.260 2.080 10 30 AEEERN C=C(C)[C@H]1OC(C)(C)C[C@@]1(C)C=O 238150457 573851739 /nfs/dbraw/zinc/85/17/39/573851739.db2.gz FQMYHPRVNUBMCE-KOLCDFICSA-N 0 0 182.263 2.335 10 30 AEEERN Cc1nc2c(s1)C[C@H](C#N)CC2 238539861 573851878 /nfs/dbraw/zinc/85/18/78/573851878.db2.gz KRZGHEZQJQYIPQ-SSDOTTSWSA-N 0 0 178.260 2.080 10 30 AEEERN O=C[C@@H]1Cc2c(Cl)cccc21 258437061 573853652 /nfs/dbraw/zinc/85/36/52/573853652.db2.gz DQUUUQBQFODJTC-LURJTMIESA-N 0 0 166.607 2.179 10 30 AEEERN C[C@H](C=O)c1ccc(O)c(Cl)c1 257889363 573853506 /nfs/dbraw/zinc/85/35/06/573853506.db2.gz NEHRIKVVAFKMAK-ZCFIWIBFSA-N 0 0 184.622 2.348 10 30 AEEERN Cc1cc(F)cc2c(C#N)c[nH]c12 238530689 573853524 /nfs/dbraw/zinc/85/35/24/573853524.db2.gz MKSHDSPLRKSCDA-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CO/C(=C\CCCCCCC#N)CO 308454274 573853555 /nfs/dbraw/zinc/85/35/55/573853555.db2.gz URYXLMLOZJFFSE-FLIBITNWSA-N 0 0 197.278 2.373 10 30 AEEERN Cc1cc2c(cc1C)C(=O)C(=O)C=C2 101224595 573853580 /nfs/dbraw/zinc/85/35/80/573853580.db2.gz RFVBUXXDDFBOEY-UHFFFAOYSA-N 0 0 186.210 2.082 10 30 AEEERN CC[C@H](CC#N)[N@@H+]1CCC(C)(C)C1 87254240 573853619 /nfs/dbraw/zinc/85/36/19/573853619.db2.gz CTPHFSPEBLZAAQ-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C#C[C@](C)(C=O)C(C)(C)C=C 238153981 573853620 /nfs/dbraw/zinc/85/36/20/573853620.db2.gz UQLKCHFQUJWZQD-SNVBAGLBSA-N 0 0 150.221 2.037 10 30 AEEERN CC(C)C[C@@](C)(Br)C=O 238166484 573853623 /nfs/dbraw/zinc/85/36/23/573853623.db2.gz STDYLJLJFMTIOM-SSDOTTSWSA-N 0 0 193.084 2.385 10 30 AEEERN CC(C)(C)[C@@H]1CCC[C@](N)(C#N)C1 238154120 573853636 /nfs/dbraw/zinc/85/36/36/573853636.db2.gz VJJIGVCRYHUXLW-MWLCHTKSSA-N 0 0 180.295 2.444 10 30 AEEERN Cc1ccc(C#N)c(C(F)F)n1 238541841 573854419 /nfs/dbraw/zinc/85/44/19/573854419.db2.gz RTUMIURSCCMDCG-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C=CC(C)(C)[C@H](O)C#C[Si](C)(C)C 238154205 573853863 /nfs/dbraw/zinc/85/38/63/573853863.db2.gz BLMOBECRGNDXOG-SNVBAGLBSA-N 0 0 196.366 2.440 10 30 AEEERN C=CCc1cncc(C(C)=O)c1 238154365 573853940 /nfs/dbraw/zinc/85/39/40/573853940.db2.gz PMHQCRPNFHPCHK-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN C=CC(C)(C)[C@H]1C=CNC(Cl)=N1 238153856 573853953 /nfs/dbraw/zinc/85/39/53/573853953.db2.gz FVLXYSSDNCUEGG-SSDOTTSWSA-N 0 0 184.670 2.279 10 30 AEEERN CC(C)[C@@H](C#N)C1CC1 84327135 573854076 /nfs/dbraw/zinc/85/40/76/573854076.db2.gz MUPJEWSYBPMZQQ-MRVPVSSYSA-N 0 0 123.199 2.192 10 30 AEEERN CC(=O)[C@@H]1CC[C@](C)(C=O)C1(C)C 238167109 573854082 /nfs/dbraw/zinc/85/40/82/573854082.db2.gz HLZPJZAPIVKGTB-GXSJLCMTSA-N 0 0 182.263 2.217 10 30 AEEERN C[C@]12CCC[C@@]13C=COC3=CC2=O 238543044 573854366 /nfs/dbraw/zinc/85/43/66/573854366.db2.gz WLMRJBMKJABTSA-MNOVXSKESA-N 0 0 176.215 2.174 10 30 AEEERN O=c1[nH]c2ccccc2cc1CS 259212445 573854392 /nfs/dbraw/zinc/85/43/92/573854392.db2.gz BQFHRMXBULMOOE-UHFFFAOYSA-N 0 0 191.255 2.370 10 30 AEEERN C=CC(C)(C)[C@@H]1SCCC1=O 238153901 573855267 /nfs/dbraw/zinc/85/52/67/573855267.db2.gz KMASVYKYOKAMDO-MRVPVSSYSA-N 0 0 170.277 2.273 10 30 AEEERN C=CC(C)(C)[C@@H](O)c1ccccn1 238153624 573855275 /nfs/dbraw/zinc/85/52/75/573855275.db2.gz YBVVEMUXANAAQV-JTQLQIEISA-N 0 0 177.247 2.327 10 30 AEEERN C=CC(C)(C)[C@H](O)c1ccccn1 238154444 573855329 /nfs/dbraw/zinc/85/53/29/573855329.db2.gz YBVVEMUXANAAQV-SNVBAGLBSA-N 0 0 177.247 2.327 10 30 AEEERN Cc1cc(CC#N)cc(N(C)C)c1C 259576018 573855342 /nfs/dbraw/zinc/85/53/42/573855342.db2.gz WTMCARZXGOSSEG-UHFFFAOYSA-N 0 0 188.274 2.436 10 30 AEEERN CC[C@H](C)[N@@H+]1CC[C@@H](C#N)[C@H]1C 259210722 573855512 /nfs/dbraw/zinc/85/55/12/573855512.db2.gz JORWSEXYADZSEG-AEJSXWLSSA-N 0 0 166.268 2.019 10 30 AEEERN CC1(C)CC[N@@H+]([C@H]2CCC[C@@H]2C#N)C1 87254236 573856212 /nfs/dbraw/zinc/85/62/12/573856212.db2.gz SVHDHVVINXKRDK-MNOVXSKESA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H](CC#N)C(F)(F)F 84327393 573855649 /nfs/dbraw/zinc/85/56/49/573855649.db2.gz OOBDXEOCTPSMHN-BYPYZUCNSA-N 0 0 137.104 2.098 10 30 AEEERN C=C(C)[C@]1(C)CCCC1=O 238153484 573855650 /nfs/dbraw/zinc/85/56/50/573855650.db2.gz SVKJPMCXOOCHQZ-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN CC=C=CC(=O)C=Cc1ccc(N)cc1 308768638 573855664 /nfs/dbraw/zinc/85/56/64/573855664.db2.gz WIULEUACMHKHNH-YFHOEESVSA-N 0 0 199.253 2.265 10 30 AEEERN CC(C)[C@H](C#N)C1CC1 84327136 573855737 /nfs/dbraw/zinc/85/57/37/573855737.db2.gz MUPJEWSYBPMZQQ-QMMMGPOBSA-N 0 0 123.199 2.192 10 30 AEEERN C[C@H](CC=O)c1ccc2c(c1)CCO2 258157931 573855756 /nfs/dbraw/zinc/85/57/56/573855756.db2.gz USNPTLHXIODETL-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@@H](CC=O)O1 238154579 573855930 /nfs/dbraw/zinc/85/59/30/573855930.db2.gz KTYOBRWFLJCRRO-IUCAKERBSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@H](C#N)C[C@@H]1CCCCC1=O 197067988 573856001 /nfs/dbraw/zinc/85/60/01/573856001.db2.gz WCEIGNLPFWCGNZ-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CO[C@H](C2CC2)C1 715028384 573855862 /nfs/dbraw/zinc/85/58/62/573855862.db2.gz IZPHNNHERVAWPD-ZMLRMANQSA-N 0 0 196.290 2.129 10 30 AEEERN C=C/C=C/[C@H](O)C(C)(C)C=C 238153566 573855875 /nfs/dbraw/zinc/85/58/75/573855875.db2.gz BDDGNYORVAZNOZ-FLOXNTQESA-N 0 0 152.237 2.302 10 30 AEEERN CC(C)(C)[C@@]1(c2ccoc2)O[C@@H]1C=O 238166759 573855957 /nfs/dbraw/zinc/85/59/57/573855957.db2.gz FQHKGOWXGITDOW-KOLCDFICSA-N 0 0 194.230 2.119 10 30 AEEERN CC(C)(C)[C@@H]1CCC[C@@](N)(C#N)C1 238153780 573855984 /nfs/dbraw/zinc/85/59/84/573855984.db2.gz VJJIGVCRYHUXLW-KOLCDFICSA-N 0 0 180.295 2.444 10 30 AEEERN CC(=O)C(CCC#N)=C(C)C 101234243 573856230 /nfs/dbraw/zinc/85/62/30/573856230.db2.gz KUCVOFQBHZSFTM-UHFFFAOYSA-N 0 0 151.209 2.216 10 30 AEEERN COCSc1ccc(C#N)cc1F 306453385 573856003 /nfs/dbraw/zinc/85/60/03/573856003.db2.gz YGVZLMRMJKUHIE-UHFFFAOYSA-N 0 0 197.234 2.393 10 30 AEEERN Oc1ccc2cc(CS)[nH]c2c1 258155720 573856020 /nfs/dbraw/zinc/85/60/20/573856020.db2.gz WZZGOBOBAIFKNW-UHFFFAOYSA-N 0 0 179.244 2.303 10 30 AEEERN C=C[C@H](C=O)C(C)(C)C=C 238154037 573856026 /nfs/dbraw/zinc/85/60/26/573856026.db2.gz HZBJCSYPNVFRJO-MRVPVSSYSA-N 0 0 138.210 2.200 10 30 AEEERN C#CC(C)(C)Nc1ccccc1N 238166718 573856113 /nfs/dbraw/zinc/85/61/13/573856113.db2.gz LLKZXIWDDVMFMJ-UHFFFAOYSA-N 0 0 174.247 2.093 10 30 AEEERN Cc1ccc(C#N)c2cnoc12 238543891 573857966 /nfs/dbraw/zinc/85/79/66/573857966.db2.gz IKRFCCXQGBQRKR-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN CCOc1cc(C#N)c(N)cc1Cl 306455990 573857935 /nfs/dbraw/zinc/85/79/35/573857935.db2.gz RFFXRWMXUFXSDB-UHFFFAOYSA-N 0 0 196.637 2.193 10 30 AEEERN C=CC[C@H](C=O)C(C)(C)C 238167563 573857973 /nfs/dbraw/zinc/85/79/73/573857973.db2.gz UXRQGLJRNAKYGS-MRVPVSSYSA-N 0 0 140.226 2.424 10 30 AEEERN CC(C)(C)[C@H](C#N)c1cccnn1 259213554 573857975 /nfs/dbraw/zinc/85/79/75/573857975.db2.gz RBZYMPHEERHMCW-MRVPVSSYSA-N 0 0 175.235 2.130 10 30 AEEERN COc1cc2c(cc1C#N)CCCC2 258155529 573859464 /nfs/dbraw/zinc/85/94/64/573859464.db2.gz UPZPNNHZUJWQAU-UHFFFAOYSA-N 0 0 187.242 2.446 10 30 AEEERN COCCCCC1(C#N)CCOCC1 131374743 573859872 /nfs/dbraw/zinc/85/98/72/573859872.db2.gz FCRSIFSVSQVXQF-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN CN1C[C@@H](C=O)c2c(Cl)cccc21 258157637 573859379 /nfs/dbraw/zinc/85/93/79/573859379.db2.gz RITNGQAZFJTPCJ-ZETCQYMHSA-N 0 0 195.649 2.072 10 30 AEEERN N#Cc1cc2cnsc2cc1F 238547573 573859430 /nfs/dbraw/zinc/85/94/30/573859430.db2.gz SHIMQRZAQPFGMK-UHFFFAOYSA-N 0 0 178.191 2.307 10 30 AEEERN C[Si](C)(C)c1cc(F)cc(C#N)c1 205348031 573859530 /nfs/dbraw/zinc/85/95/30/573859530.db2.gz ZAHFXMUMXGOICB-UHFFFAOYSA-N 0 0 193.297 2.243 10 30 AEEERN C=C1CC2=C(CCC2=O)OC1(C)C 238169680 573859627 /nfs/dbraw/zinc/85/96/27/573859627.db2.gz VWDHAJIRZVDFQQ-UHFFFAOYSA-N 0 0 178.231 2.359 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CO[C@H](C2CC2)C1 715028381 573859724 /nfs/dbraw/zinc/85/97/24/573859724.db2.gz IZPHNNHERVAWPD-DLOVCJGASA-N 0 0 196.290 2.129 10 30 AEEERN N#CCCc1c[nH]c2ncccc12 238546334 573859811 /nfs/dbraw/zinc/85/98/11/573859811.db2.gz OHLXKMMBMYLWQX-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CO[C@@H](C2CC2)C1 715028383 573859924 /nfs/dbraw/zinc/85/99/24/573859924.db2.gz IZPHNNHERVAWPD-WCQGTBRESA-N 0 0 196.290 2.129 10 30 AEEERN N#CCOc1ccccc1C1CC1 238547424 573859932 /nfs/dbraw/zinc/85/99/32/573859932.db2.gz MEPBPBVEALFFOB-UHFFFAOYSA-N 0 0 173.215 2.466 10 30 AEEERN CCCCCCCC(N)=CC(=O)OC 308456618 573859935 /nfs/dbraw/zinc/85/99/35/573859935.db2.gz XNKAEJYXEJHHBQ-MDZDMXLPSA-N 0 0 199.294 2.363 10 30 AEEERN N#CCC[C@]1(C#N)Cc2ccccc21 238546310 573859944 /nfs/dbraw/zinc/85/99/44/573859944.db2.gz GRTYWYFOUBTAOL-GFCCVEGCSA-N 0 0 182.226 2.308 10 30 AEEERN COCCCC[C@]1(C#N)CCCC1=O 131376627 573859955 /nfs/dbraw/zinc/85/99/55/573859955.db2.gz DERWVCBKMMQJNH-LLVKDONJSA-N 0 0 195.262 2.066 10 30 AEEERN O=CC[C@H]1Cc2c(F)cccc2S1 258157768 573860180 /nfs/dbraw/zinc/86/01/80/573860180.db2.gz LMZYYRMFSKXIHA-ZETCQYMHSA-N 0 0 196.246 2.432 10 30 AEEERN CC(C)[C@H]1C[C@@H](C)C=CC1=O 238167916 573860201 /nfs/dbraw/zinc/86/02/01/573860201.db2.gz HHWMEPKRDOLWKU-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1cccc(C2(C#N)CC2)c1N 238546316 573860216 /nfs/dbraw/zinc/86/02/16/573860216.db2.gz INIPUWAGXRCBQW-UHFFFAOYSA-N 0 0 172.231 2.132 10 30 AEEERN CCc1nsc(S[C@@H](C)C#N)n1 87265395 573860219 /nfs/dbraw/zinc/86/02/19/573860219.db2.gz XYWNUKFZDCNVFA-YFKPBYRVSA-N 0 0 199.304 2.105 10 30 AEEERN CC(C)(C)[C@@H](C#N)c1cccnn1 259213557 573860295 /nfs/dbraw/zinc/86/02/95/573860295.db2.gz RBZYMPHEERHMCW-QMMMGPOBSA-N 0 0 175.235 2.130 10 30 AEEERN CC(C)=C[C@@]1(C=O)CCCC[C@@H]1O 238167791 573860316 /nfs/dbraw/zinc/86/03/16/573860316.db2.gz OKQJEHQRCNSASM-WDEREUQCSA-N 0 0 182.263 2.073 10 30 AEEERN C=C[C@H](C=C(C)C)CC=O 238168523 573860548 /nfs/dbraw/zinc/86/05/48/573860548.db2.gz ZVYKFOOBUNAXDX-VIFPVBQESA-N 0 0 138.210 2.344 10 30 AEEERN CC(=O)[C@H](C=C(C)C)CC#N 238168439 573860625 /nfs/dbraw/zinc/86/06/25/573860625.db2.gz FPINWRIULJFFCX-VIFPVBQESA-N 0 0 151.209 2.071 10 30 AEEERN CC[C@@H](O)C(=O)/C=C\c1ccccc1 308458321 573860678 /nfs/dbraw/zinc/86/06/78/573860678.db2.gz YPLDNGFADVJDRZ-TYBABMIJSA-N 0 0 190.242 2.040 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1OCC=O 43803642 573860713 /nfs/dbraw/zinc/86/07/13/573860713.db2.gz JQGWZWZNHAOBJE-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN CC(C)=C[C@H](O)C(C)(C)CC#N 238169069 573860739 /nfs/dbraw/zinc/86/07/39/573860739.db2.gz ZXZJEGUSPGJFJD-VIFPVBQESA-N 0 0 167.252 2.253 10 30 AEEERN C=CC[C@@H](C)C1(CO)CCC(O)CC1 715030887 573863440 /nfs/dbraw/zinc/86/34/40/573863440.db2.gz SLSOIAIRNZPJJQ-VOMCLLRMSA-N 0 0 198.306 2.112 10 30 AEEERN CC(C)=C[C@@H]1C[C@H]1CC=O 238164770 573872042 /nfs/dbraw/zinc/87/20/42/573872042.db2.gz YXUCZIXYYBTZFO-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(-c2ccnc(C#N)n2)cc1 259214553 573862532 /nfs/dbraw/zinc/86/25/32/573862532.db2.gz XNWYFZDUCPZEFE-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN C/C=C/[C@@H](O)CC(CCC)=NN(C)C 308457319 573863432 /nfs/dbraw/zinc/86/34/32/573863432.db2.gz YEVPBAHYVSALRV-JGRRBYBLSA-N 0 0 198.310 2.031 10 30 AEEERN C#C/C(=C\CO)c1ccc(C)cc1 238547356 573863437 /nfs/dbraw/zinc/86/34/37/573863437.db2.gz FDTPYESUNZFSFB-DHZHZOJOSA-N 0 0 172.227 2.004 10 30 AEEERN SCNCc1ccc2c(c1)CCC2 258974174 573862385 /nfs/dbraw/zinc/86/23/85/573862385.db2.gz VNFNBQLRVOIZES-UHFFFAOYSA-N 0 0 193.315 2.152 10 30 AEEERN Cc1ccc(C#N)nc1C(F)F 238546722 573862454 /nfs/dbraw/zinc/86/24/54/573862454.db2.gz DYECYYVTFDXOQP-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN C=CC[C@H](C)[C@]1(CO)C[C@H](C)O[C@@H]1C 715030234 573862469 /nfs/dbraw/zinc/86/24/69/573862469.db2.gz QCDVKDSEWKHAPO-NNYUYHANSA-N 0 0 198.306 2.375 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@H]1CCOC1(C)C 715030981 573862534 /nfs/dbraw/zinc/86/25/34/573862534.db2.gz TWVZZPHYTDTRJX-AXFHLTTASA-N 0 0 198.306 2.375 10 30 AEEERN N#CCC[C@H]1CCCC2(C1)OCCO2 238546211 573862546 /nfs/dbraw/zinc/86/25/46/573862546.db2.gz HWARTLPEUPZQBD-SNVBAGLBSA-N 0 0 195.262 2.223 10 30 AEEERN C=CCC[C@H](O)C1=CC1(C)C 238171243 573862563 /nfs/dbraw/zinc/86/25/63/573862563.db2.gz HRMULCUBVPNKAT-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@H](C)[C@]1(CO)C[C@@H](C)O[C@@H]1C 715030228 573862650 /nfs/dbraw/zinc/86/26/50/573862650.db2.gz QCDVKDSEWKHAPO-IRCOFANPSA-N 0 0 198.306 2.375 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CO[C@@H](C(C)C)C1 715029327 573862658 /nfs/dbraw/zinc/86/26/58/573862658.db2.gz PWXFEUBXIWLVFM-TUAOUCFPSA-N 0 0 198.306 2.375 10 30 AEEERN CC[C@H](O)C(=O)/C=C\c1ccccc1 308458320 573862697 /nfs/dbraw/zinc/86/26/97/573862697.db2.gz YPLDNGFADVJDRZ-IQQGHNRFSA-N 0 0 190.242 2.040 10 30 AEEERN O=CC(F)(F)Cc1ccccc1 238547458 573862725 /nfs/dbraw/zinc/86/27/25/573862725.db2.gz OLLMPOCIHYDFIK-UHFFFAOYSA-N 0 0 170.158 2.063 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1cscn1 715029058 573862750 /nfs/dbraw/zinc/86/27/50/573862750.db2.gz NQGUMRFCHZRPSZ-IONNQARKSA-N 0 0 183.276 2.389 10 30 AEEERN C=CCC[C@@H](O)C1=CC1(C)C 238171359 573862758 /nfs/dbraw/zinc/86/27/58/573862758.db2.gz HRMULCUBVPNKAT-SECBINFHSA-N 0 0 152.237 2.280 10 30 AEEERN Cc1ccc(C#N)n1C(F)F 238546563 573862760 /nfs/dbraw/zinc/86/27/60/573862760.db2.gz FBCBDTYIVCFQHW-UHFFFAOYSA-N 0 0 156.135 2.063 10 30 AEEERN CC1(C)C=CC(=O)[C@@H]1CCC#N 238171817 573864101 /nfs/dbraw/zinc/86/41/01/573864101.db2.gz WYKDQQJSHVMYGQ-QMMMGPOBSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@@H](O)c1cccc(C)c1O 238547477 573862916 /nfs/dbraw/zinc/86/29/16/573862916.db2.gz NHSBXJODLDFQAJ-SNVBAGLBSA-N 0 0 178.231 2.310 10 30 AEEERN N#CCC[C@@]1(C#N)Cc2ccccc21 238546146 573862986 /nfs/dbraw/zinc/86/29/86/573862986.db2.gz GRTYWYFOUBTAOL-LBPRGKRZSA-N 0 0 182.226 2.308 10 30 AEEERN Cc1c(CC#N)c(C(F)F)c[nH]c1=O 238546915 573863035 /nfs/dbraw/zinc/86/30/35/573863035.db2.gz HDCOIMWDISGNNZ-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1cc(C#N)cc(CC(C)C)n1 238170037 573863069 /nfs/dbraw/zinc/86/30/69/573863069.db2.gz DVDOLBYWVAAAMK-UHFFFAOYSA-N 0 0 174.247 2.460 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1cscn1 715029057 573863120 /nfs/dbraw/zinc/86/31/20/573863120.db2.gz NQGUMRFCHZRPSZ-CBAPKCEASA-N 0 0 183.276 2.389 10 30 AEEERN Cc1cccc([C@H](N)CC#N)c1F 238546229 573863356 /nfs/dbraw/zinc/86/33/56/573863356.db2.gz NWZAZRNNKZDRGD-SECBINFHSA-N 0 0 178.210 2.048 10 30 AEEERN Cc1ccc([C@@](C)(O)CC#N)cc1F 87285523 573863197 /nfs/dbraw/zinc/86/31/97/573863197.db2.gz DWVJYQUYFINORZ-NSHDSACASA-N 0 0 193.221 2.255 10 30 AEEERN C=C1C[C@H](O)O[C@@H](C=C(C)C)C1 238169943 573863314 /nfs/dbraw/zinc/86/33/14/573863314.db2.gz XLFVJWNYUWDNCZ-VHSXEESVSA-N 0 0 168.236 2.006 10 30 AEEERN O=CC(F)(F)C[C@@H]1CCCSC1 257890706 573863478 /nfs/dbraw/zinc/86/34/78/573863478.db2.gz XAIKTDRLNFTIEJ-ZETCQYMHSA-N 0 0 194.246 2.354 10 30 AEEERN C=C(C)C(=O)c1ccc(Cl)cn1 87285671 573864147 /nfs/dbraw/zinc/86/41/47/573864147.db2.gz XCQCGTZEKLVSOL-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1cscn1 715029056 573863789 /nfs/dbraw/zinc/86/37/89/573863789.db2.gz NQGUMRFCHZRPSZ-APPZFPTMSA-N 0 0 183.276 2.389 10 30 AEEERN CCCCC[C@@H](O)C=NN1CCCC1 308457253 573864128 /nfs/dbraw/zinc/86/41/28/573864128.db2.gz XOIGILJPRCWHLB-LLVKDONJSA-N 0 0 198.310 2.009 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1cnc(C)cn1 715029193 573863813 /nfs/dbraw/zinc/86/38/13/573863813.db2.gz LTUZZWJPHRKLEW-GZMMTYOYSA-N 0 0 192.262 2.031 10 30 AEEERN CCCCC[C@H](O)C=NN1CCCC1 308457254 573863927 /nfs/dbraw/zinc/86/39/27/573863927.db2.gz XOIGILJPRCWHLB-NSHDSACASA-N 0 0 198.310 2.009 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1cscn1 715029059 573863959 /nfs/dbraw/zinc/86/39/59/573863959.db2.gz NQGUMRFCHZRPSZ-VXNVDRBHSA-N 0 0 183.276 2.389 10 30 AEEERN CC1(C)C=CC(=O)[C@H]1CCC#N 238171930 573863989 /nfs/dbraw/zinc/86/39/89/573863989.db2.gz WYKDQQJSHVMYGQ-MRVPVSSYSA-N 0 0 163.220 2.071 10 30 AEEERN CC(C)=C[C@H]1C[C@H]1CC=O 238170633 573864105 /nfs/dbraw/zinc/86/41/05/573864105.db2.gz YXUCZIXYYBTZFO-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@@H]1CCCC[C@H]1OCC=O 43803649 573864020 /nfs/dbraw/zinc/86/40/20/573864020.db2.gz JQGWZWZNHAOBJE-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN C/C=C\[C@@H](O)CC(CCC)=NN(C)C 308457317 573864021 /nfs/dbraw/zinc/86/40/21/573864021.db2.gz YEVPBAHYVSALRV-DABBXFRISA-N 0 0 198.310 2.031 10 30 AEEERN N#Cc1cc2c(N)c(C#N)ccc2s1 306735255 573864033 /nfs/dbraw/zinc/86/40/33/573864033.db2.gz PCCLRPCLNXBOBS-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CN(CC1(C#N)CCC1)c1cc[nH]c1 258974814 573864061 /nfs/dbraw/zinc/86/40/61/573864061.db2.gz TZPXQVITGOXNDQ-UHFFFAOYSA-N 0 0 189.262 2.145 10 30 AEEERN N#Cc1c(Cl)ccc2oncc12 238540608 573867562 /nfs/dbraw/zinc/86/75/62/573867562.db2.gz CUJKZJPHMCWXJB-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN CC(C)=C[C@@H](O)C(C)(C)CC#N 238162295 573868534 /nfs/dbraw/zinc/86/85/34/573868534.db2.gz ZXZJEGUSPGJFJD-SECBINFHSA-N 0 0 167.252 2.253 10 30 AEEERN Cc1c(O)ccc2c(C#N)c[nH]c12 238540863 573868527 /nfs/dbraw/zinc/86/85/27/573868527.db2.gz KEFQCBRFDHFQSI-UHFFFAOYSA-N 0 0 172.187 2.054 10 30 AEEERN C=CC[N@H+](C)CCNc1ccccc1 131437696 573868986 /nfs/dbraw/zinc/86/89/86/573868986.db2.gz GSXQTQXCWHRBBL-UHFFFAOYSA-N 0 0 190.290 2.216 10 30 AEEERN C=C[C@@H](C=C(C)C)CCO 238161462 573867459 /nfs/dbraw/zinc/86/74/59/573867459.db2.gz KRCCQTZUMRSWOJ-SECBINFHSA-N 0 0 140.226 2.137 10 30 AEEERN C=C[C@](C)(C=C(C)C)CO 238172178 573867430 /nfs/dbraw/zinc/86/74/30/573867430.db2.gz SOCGVZHEKJQVFY-SECBINFHSA-N 0 0 140.226 2.137 10 30 AEEERN Cc1ccc(C#CCC#N)cc1 238540887 573867616 /nfs/dbraw/zinc/86/76/16/573867616.db2.gz ZYFYHPHQZKBKIT-UHFFFAOYSA-N 0 0 155.200 2.260 10 30 AEEERN Cc1cccc(/C=N/C(C)(C)CO)c1 238548697 573867631 /nfs/dbraw/zinc/86/76/31/573867631.db2.gz XRWOAGBOWXEISX-MDWZMJQESA-N 0 0 191.274 2.185 10 30 AEEERN CCCC(CO)N=Nc1ccccc1 308455298 573867638 /nfs/dbraw/zinc/86/76/38/573867638.db2.gz VZMHBCWGUFUUOP-UHFFFAOYSA-N 0 0 192.262 2.247 10 30 AEEERN C=CC[C@@H](C)[C@H](O)COC1CCC1 715031848 573867680 /nfs/dbraw/zinc/86/76/80/573867680.db2.gz ZIDIHCDIUAEOHP-MWLCHTKSSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1cnc(C#N)cc1NCC(C)C 306340512 573867693 /nfs/dbraw/zinc/86/76/93/573867693.db2.gz KVHWBSIWJPKQLM-UHFFFAOYSA-N 0 0 189.262 2.330 10 30 AEEERN N#Cc1ccc2c(N)csc2c1C#N 306740457 573867783 /nfs/dbraw/zinc/86/77/83/573867783.db2.gz TXKDTHNKSNUEHV-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN N#Cc1ccc(C#N)c2c(N)csc12 306737492 573867821 /nfs/dbraw/zinc/86/78/21/573867821.db2.gz RIWDSIYYZQWNFN-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@@H]1CCOC[C@@H]1C 715031867 573867831 /nfs/dbraw/zinc/86/78/31/573867831.db2.gz ZNZQYWCDCNVODT-YFKTTZPYSA-N 0 0 198.306 2.232 10 30 AEEERN C=CC[C@H](C)[C@@H](O)COC1CCC1 715031849 573867878 /nfs/dbraw/zinc/86/78/78/573867878.db2.gz ZIDIHCDIUAEOHP-ONGXEEELSA-N 0 0 184.279 2.129 10 30 AEEERN C=C=C(C)C(C)(C)CC=O 238162919 573867956 /nfs/dbraw/zinc/86/79/56/573867956.db2.gz QTGFFBBUMJJARB-UHFFFAOYSA-N 0 0 138.210 2.333 10 30 AEEERN C=C(C)c1cnc2nc(C)cn2c1 238161707 573868007 /nfs/dbraw/zinc/86/80/07/573868007.db2.gz UUJSSNHEDINBBR-UHFFFAOYSA-N 0 0 173.219 2.071 10 30 AEEERN C=C1C(C)=CCC[C@H]1C(C)=O 238162436 573868124 /nfs/dbraw/zinc/86/81/24/573868124.db2.gz OPRSRLLCYAKGCA-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)c1cnc2nc(C)c(C)n2c1 238161673 573868163 /nfs/dbraw/zinc/86/81/63/573868163.db2.gz LEDACKGZBWYFPR-UHFFFAOYSA-N 0 0 187.246 2.379 10 30 AEEERN C#Cc1ccc(C)nc1C(F)(F)F 238540251 573868184 /nfs/dbraw/zinc/86/81/84/573868184.db2.gz PLXMSBBPPACZHY-UHFFFAOYSA-N 0 0 185.148 2.390 10 30 AEEERN C[C@H](CS)Cc1cccnc1 79739626 573868250 /nfs/dbraw/zinc/86/82/50/573868250.db2.gz ZEBNCRVUTJQFNU-QMMMGPOBSA-N 0 0 167.277 2.190 10 30 AEEERN C=CC[C@H](C)[C@H](O)COC1CCC1 715031846 573868299 /nfs/dbraw/zinc/86/82/99/573868299.db2.gz ZIDIHCDIUAEOHP-GXSJLCMTSA-N 0 0 184.279 2.129 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CC[C@H]2C[C@H]21 715030682 573868646 /nfs/dbraw/zinc/86/86/46/573868646.db2.gz XRSOWUYDRYMPJF-UKKRHICBSA-N 0 0 166.264 2.360 10 30 AEEERN C=C1C[C@H](C(C)=O)CC=C1C 238161408 573868780 /nfs/dbraw/zinc/86/87/80/573868780.db2.gz DEMOMELQTCZNJZ-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)COC1CCC1 715031847 573868926 /nfs/dbraw/zinc/86/89/26/573868926.db2.gz ZIDIHCDIUAEOHP-KOLCDFICSA-N 0 0 184.279 2.129 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CC[C@@H]2C[C@@H]21 715030686 573868942 /nfs/dbraw/zinc/86/89/42/573868942.db2.gz XRSOWUYDRYMPJF-ZRUFSTJUSA-N 0 0 166.264 2.360 10 30 AEEERN C=C[C@@H](C=C(C)C)CC=O 238161407 573868966 /nfs/dbraw/zinc/86/89/66/573868966.db2.gz ZVYKFOOBUNAXDX-SECBINFHSA-N 0 0 138.210 2.344 10 30 AEEERN N#Cc1c(F)ncc(C(F)F)c1F 238549648 573869273 /nfs/dbraw/zinc/86/92/73/573869273.db2.gz IIDGUKIFUNDXKJ-UHFFFAOYSA-N 0 0 190.099 2.169 10 30 AEEERN N#CCc1cc(C(F)F)cnc1F 238550333 573869361 /nfs/dbraw/zinc/86/93/61/573869361.db2.gz RSPSBIODPFHNJJ-UHFFFAOYSA-N 0 0 186.136 2.224 10 30 AEEERN CC(C)(C)[C@@H]1C[C@H]2C(=O)[C@@]2(C#N)C1 238162235 573869364 /nfs/dbraw/zinc/86/93/64/573869364.db2.gz LIICDPZFNJZYPI-VHSKPIJISA-N 0 0 177.247 2.151 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@H]1CCSC1 715033919 573869426 /nfs/dbraw/zinc/86/94/26/573869426.db2.gz CIQKSQQTCFSYJW-LPEHRKFASA-N 0 0 186.320 2.313 10 30 AEEERN C[C@H]1CCCN(C(C)(C)C#N)C1 306454351 573869519 /nfs/dbraw/zinc/86/95/19/573869519.db2.gz PGXNUNNYUYBGET-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C=C(C)c1cnc2ccn(C)c2n1 238161635 573869555 /nfs/dbraw/zinc/86/95/55/573869555.db2.gz BGSPCXMALQWJMO-UHFFFAOYSA-N 0 0 173.219 2.001 10 30 AEEERN Cc1cc(C#N)c(=O)[nH]c1[C@H]1C[C@@H]1C 306748577 573870966 /nfs/dbraw/zinc/87/09/66/573870966.db2.gz GVIHQHMLZXSXBX-RCOVLWMOSA-N 0 0 188.230 2.091 10 30 AEEERN Cc1ccc(C#CCF)cc1 238541176 573869609 /nfs/dbraw/zinc/86/96/09/573869609.db2.gz NXPCSNUWQXUBKC-UHFFFAOYSA-N 0 0 148.180 2.316 10 30 AEEERN C=CCC#CC[C@H](O)C=C(C)C 238162701 573869634 /nfs/dbraw/zinc/86/96/34/573869634.db2.gz CSYJOEGOGGXAAW-NSHDSACASA-N 0 0 164.248 2.283 10 30 AEEERN CC(C)CCN1CCCC[C@H]1C#N 79811480 573869843 /nfs/dbraw/zinc/86/98/43/573869843.db2.gz VIKNTURRQARNMS-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN C=C(C)c1cccc2nc(N)nc-2c1 238161442 573869975 /nfs/dbraw/zinc/86/99/75/573869975.db2.gz KNZVMMFLJLQJPP-UHFFFAOYSA-N 0 0 185.230 2.197 10 30 AEEERN Cc1coc2cc(C#CCO)ccc12 238550274 573870016 /nfs/dbraw/zinc/87/00/16/573870016.db2.gz OJGIDHTVLIGARE-UHFFFAOYSA-N 0 0 186.210 2.085 10 30 AEEERN CC(C)c1cccc(C#CCO)c1 238161670 573870039 /nfs/dbraw/zinc/87/00/39/573870039.db2.gz AGYARDDZCCOMGT-UHFFFAOYSA-N 0 0 174.243 2.154 10 30 AEEERN CC/C=C/[C@@H](C)CC=O 101462881 573870097 /nfs/dbraw/zinc/87/00/97/573870097.db2.gz VYHBACUSPDJUFF-WTSVBCDHSA-N 0 0 126.199 2.178 10 30 AEEERN CCCCO/C=C\C#C[C@@H](O)CCC 308455361 573870105 /nfs/dbraw/zinc/87/01/05/573870105.db2.gz WDNFRXMIUHIGEC-RDQDRAATSA-N 0 0 196.290 2.481 10 30 AEEERN C=C1C=CCC[C@H]1C(C)=O 238162618 573870141 /nfs/dbraw/zinc/87/01/41/573870141.db2.gz AEQIVVUVEJPKKJ-SECBINFHSA-N 0 0 136.194 2.098 10 30 AEEERN CC(C)CCN1CCCC[C@@H]1C#N 79811478 573870148 /nfs/dbraw/zinc/87/01/48/573870148.db2.gz VIKNTURRQARNMS-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1cc(C)cc([C@H](C#N)C=O)c1 238550003 573870169 /nfs/dbraw/zinc/87/01/69/573870169.db2.gz RRJZKNIABQXYJW-LLVKDONJSA-N 0 0 173.215 2.110 10 30 AEEERN CC(C)(C=O)CC1=CC=CC1 238162742 573870190 /nfs/dbraw/zinc/87/01/90/573870190.db2.gz YQRRARKBFZJXHK-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1cc(C#N)c(=O)[nH]c1[C@@H]1C[C@H]1C 306748572 573870284 /nfs/dbraw/zinc/87/02/84/573870284.db2.gz GVIHQHMLZXSXBX-HZGVNTEJSA-N 0 0 188.230 2.091 10 30 AEEERN N#CC1([C@@H](N)c2cccs2)CCC1 259624564 573870469 /nfs/dbraw/zinc/87/04/69/573870469.db2.gz YBUPFPREUSIVKY-VIFPVBQESA-N 0 0 192.287 2.442 10 30 AEEERN CC(C)[C@@H]1C[C@H](C)C=CC1=O 238161500 573870619 /nfs/dbraw/zinc/87/06/19/573870619.db2.gz HHWMEPKRDOLWKU-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN N#CC1([C@H](N)c2cccs2)CCC1 259624561 573870893 /nfs/dbraw/zinc/87/08/93/573870893.db2.gz YBUPFPREUSIVKY-SECBINFHSA-N 0 0 192.287 2.442 10 30 AEEERN CC1(C)CCC[C@]2(C)O[C@]12/C=C\CO 308455270 573870776 /nfs/dbraw/zinc/87/07/76/573870776.db2.gz VXSTXDSBQRPRQG-HJLXKUKWSA-N 0 0 196.290 2.273 10 30 AEEERN C[C@H](F)[C@H](C=O)C1CCCC1 258441165 573870777 /nfs/dbraw/zinc/87/07/77/573870777.db2.gz FCISDDUDFXQTJZ-CBAPKCEASA-N 0 0 158.216 2.350 10 30 AEEERN Cc1cc(C)cc([C@@H](C#N)C=O)c1 238550337 573872096 /nfs/dbraw/zinc/87/20/96/573872096.db2.gz RRJZKNIABQXYJW-NSHDSACASA-N 0 0 173.215 2.110 10 30 AEEERN N#Cc1coc2cccc(F)c12 238555598 573872110 /nfs/dbraw/zinc/87/21/10/573872110.db2.gz SZVOXRDKKPASAK-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN C=C1C[C@@H](C=C(C)C)O[C@@H](O)C1 238163770 573871870 /nfs/dbraw/zinc/87/18/70/573871870.db2.gz XLFVJWNYUWDNCZ-NXEZZACHSA-N 0 0 168.236 2.006 10 30 AEEERN CC(C)(C)[C@H](O)C(C)(C)CS 238178586 573880298 /nfs/dbraw/zinc/88/02/98/573880298.db2.gz CLYMZKYJFNQODU-ZETCQYMHSA-N 0 0 176.325 2.349 10 30 AEEERN CC1(C)C[C@@]1(C#N)c1cc[nH]c1 258976389 573873185 /nfs/dbraw/zinc/87/31/85/573873185.db2.gz IZAWBWIHNVFANK-SNVBAGLBSA-N 0 0 160.220 2.206 10 30 AEEERN C=CCc1c[nH]c2ncc(F)cc12 238550576 573873199 /nfs/dbraw/zinc/87/31/99/573873199.db2.gz PSHMKNNHMBVGBG-UHFFFAOYSA-N 0 0 176.194 2.431 10 30 AEEERN CC(C)(CC=O)c1ccc(C#N)cc1 238164930 573873202 /nfs/dbraw/zinc/87/32/02/573873202.db2.gz BZVDQJQBELVYGY-UHFFFAOYSA-N 0 0 187.242 2.425 10 30 AEEERN CCCCOC(=O)CCCS 80016909 573873244 /nfs/dbraw/zinc/87/32/44/573873244.db2.gz IPMDUIMLZSRYTP-UHFFFAOYSA-N 0 0 176.281 2.040 10 30 AEEERN Cc1cc(C#N)c(=O)[nH]c1[C@@H]1C[C@@H]1C 306748574 573873259 /nfs/dbraw/zinc/87/32/59/573873259.db2.gz GVIHQHMLZXSXBX-IMTBSYHQSA-N 0 0 188.230 2.091 10 30 AEEERN CC(C)/C=N/[C@@H](CO)c1ccccc1 308460549 573873329 /nfs/dbraw/zinc/87/33/29/573873329.db2.gz KSUPUKGJXGHKJX-OXBCTQFSSA-N 0 0 191.274 2.447 10 30 AEEERN Cc1coc2ccnc(CC#N)c12 238550656 573873544 /nfs/dbraw/zinc/87/35/44/573873544.db2.gz MLFLONUMGLBDSL-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN CC(=C=CC#CCO)C(C)(C)C 238164006 573874748 /nfs/dbraw/zinc/87/47/48/573874748.db2.gz JILHBIITWUIVPV-UHFFFAOYSA-N 0 0 164.248 2.130 10 30 AEEERN CC(C)(C)[C@@](O)(C=O)c1ccccc1 238164562 573874760 /nfs/dbraw/zinc/87/47/60/573874760.db2.gz QEUFWUPOKJZZOM-GFCCVEGCSA-N 0 0 192.258 2.119 10 30 AEEERN C=CCC(C)(C)/C=C/CO 238164560 573874722 /nfs/dbraw/zinc/87/47/22/573874722.db2.gz BTBYCSPCRQJXQN-FNORWQNLSA-N 0 0 140.226 2.137 10 30 AEEERN CC1=CC(=O)[C@@H](C)[C@H]1C(C)C 238176547 573877064 /nfs/dbraw/zinc/87/70/64/573877064.db2.gz UKVOHBJJWNYKLT-SCZZXKLOSA-N 0 0 152.237 2.424 10 30 AEEERN CN1CC[C@H](C#N)[C@H]1c1cccs1 259624629 573877123 /nfs/dbraw/zinc/87/71/23/573877123.db2.gz HMKNRCRZRYBDKR-SCZZXKLOSA-N 0 0 192.287 2.264 10 30 AEEERN N#C[C@@H]1Cc2cccc(F)c2C1 238551483 573876657 /nfs/dbraw/zinc/87/66/57/573876657.db2.gz SKJBSZAHJSCUPT-SSDOTTSWSA-N 0 0 161.179 2.064 10 30 AEEERN N#C[C@H]1CCc2cccc(F)c21 238551236 573876662 /nfs/dbraw/zinc/87/66/62/573876662.db2.gz HTFOXAKMXJJQKB-MRVPVSSYSA-N 0 0 161.179 2.379 10 30 AEEERN N#Cc1nccc(-c2cccs2)n1 258983133 573876738 /nfs/dbraw/zinc/87/67/38/573876738.db2.gz BOUWPVJIWNSFNB-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CS[C@@H](C)C1 715040394 573876927 /nfs/dbraw/zinc/87/69/27/573876927.db2.gz ZRTCYLRDNKMCNO-GUBZILKMSA-N 0 0 186.320 2.455 10 30 AEEERN CC(C)Cc1ccc([C@@H](N)C#N)cc1 87315250 573876983 /nfs/dbraw/zinc/87/69/83/573876983.db2.gz PTQWBFFYPVWBAV-LBPRGKRZSA-N 0 0 188.274 2.408 10 30 AEEERN C=C[C@@]1(C)CO[C@](C)(CC)O1 222768968 573879135 /nfs/dbraw/zinc/87/91/35/573879135.db2.gz NHIBFGBOXZMYQP-IUCAKERBSA-N 0 0 156.225 2.104 10 30 AEEERN O=C1C=C2C3CC(C3)C[C@@H]2CC1 101740115 573879067 /nfs/dbraw/zinc/87/90/67/573879067.db2.gz OFGGRGVQQRZIIG-MGURRDGZSA-N 0 0 162.232 2.322 10 30 AEEERN C=CC[C@H](C)[C@@](C)(O)CCCOC 715040389 573878766 /nfs/dbraw/zinc/87/87/66/573878766.db2.gz ZMTBYSMXSOYJPI-QWRGUYRKSA-N 0 0 186.295 2.376 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CS[C@H](C)C1 715040392 573878829 /nfs/dbraw/zinc/87/88/29/573878829.db2.gz ZRTCYLRDNKMCNO-AEJSXWLSSA-N 0 0 186.320 2.455 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1ccncc1 715040438 573878923 /nfs/dbraw/zinc/87/89/23/573878923.db2.gz ZYRJDMLPIUNCMB-MWLCHTKSSA-N 0 0 177.247 2.327 10 30 AEEERN C=CC[C@H](C)[N@@H+](CC(=O)[O-])[C@H](C)CC 715039142 573878931 /nfs/dbraw/zinc/87/89/31/573878931.db2.gz WWMVQVWQLDJVDT-ZJUUUORDSA-N 0 0 199.294 2.136 10 30 AEEERN Cc1cscc1CN[C@H](C)C#N 87310641 573878954 /nfs/dbraw/zinc/87/89/54/573878954.db2.gz RFLUIJOYLIODHX-MRVPVSSYSA-N 0 0 180.276 2.058 10 30 AEEERN C=CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H](C)CC 715039137 573879018 /nfs/dbraw/zinc/87/90/18/573879018.db2.gz WWMVQVWQLDJVDT-UWVGGRQHSA-N 0 0 199.294 2.136 10 30 AEEERN CC1=C[C@@H]2CC=CC(=O)[C@@H]2CC1 238178214 573881649 /nfs/dbraw/zinc/88/16/49/573881649.db2.gz JEBAZWYFIGCZQW-VHSXEESVSA-N 0 0 162.232 2.488 10 30 AEEERN C#CCCNc1ccc(C)cc1C#N 235760092 573879974 /nfs/dbraw/zinc/87/99/74/573879974.db2.gz AMAQXOGUHLKTLL-UHFFFAOYSA-N 0 0 184.242 2.302 10 30 AEEERN CCc1ccc(C)nc1NC=NC 225032193 573880018 /nfs/dbraw/zinc/88/00/18/573880018.db2.gz TWVDPHFDENGENZ-UHFFFAOYSA-N 0 0 177.251 2.022 10 30 AEEERN Cn1nc(CCC#N)c2sccc21 259624698 573880136 /nfs/dbraw/zinc/88/01/36/573880136.db2.gz HOYJIBLGIAWKEH-UHFFFAOYSA-N 0 0 191.259 2.091 10 30 AEEERN CN=CNc1nc2ccccc2s1 225032306 573880221 /nfs/dbraw/zinc/88/02/21/573880221.db2.gz RMPCLPSUNNEQEV-UHFFFAOYSA-N 0 0 191.259 2.366 10 30 AEEERN N#Cc1nc2c(cc1Cl)CCCC2 238553763 573880230 /nfs/dbraw/zinc/88/02/30/573880230.db2.gz VSLFGPBCUFSFAR-UHFFFAOYSA-N 0 0 192.649 2.485 10 30 AEEERN C=CC[C@@H](C)[C@@](C)(O)CCCOC 715040386 573881689 /nfs/dbraw/zinc/88/16/89/573881689.db2.gz ZMTBYSMXSOYJPI-MNOVXSKESA-N 0 0 186.295 2.376 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1ccncc1 715040436 573881358 /nfs/dbraw/zinc/88/13/58/573881358.db2.gz ZYRJDMLPIUNCMB-KOLCDFICSA-N 0 0 177.247 2.327 10 30 AEEERN C=C(C)C[C@H](NN)C1(CCC)CC1 393567712 573881433 /nfs/dbraw/zinc/88/14/33/573881433.db2.gz OWGHNKDHMLTXSS-JTQLQIEISA-N 0 0 182.311 2.365 10 30 AEEERN Cn1cccc1C1=CCCCC1=O 238553709 573881488 /nfs/dbraw/zinc/88/14/88/573881488.db2.gz HHNPLHXZDMFOIM-UHFFFAOYSA-N 0 0 175.231 2.162 10 30 AEEERN C=CCCNC1=CC(=O)CC(C)(C)C1 238178230 573881490 /nfs/dbraw/zinc/88/14/90/573881490.db2.gz AKLRUKBTWQJXOD-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN CC1(C)OC2=C(C=CC=CC2)C1=O 238179053 573881520 /nfs/dbraw/zinc/88/15/20/573881520.db2.gz ZQKBGFNBPPQAIF-UHFFFAOYSA-N 0 0 176.215 2.135 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CS[C@@H](C)C1 715040401 573881525 /nfs/dbraw/zinc/88/15/25/573881525.db2.gz ZRTCYLRDNKMCNO-LPEHRKFASA-N 0 0 186.320 2.455 10 30 AEEERN CC[C@@H](CC=O)C(C)(F)F 258518938 573881640 /nfs/dbraw/zinc/88/16/40/573881640.db2.gz LZYMQJBJMPJYHJ-LURJTMIESA-N 0 0 150.168 2.257 10 30 AEEERN C=C(CS)C[C@@H](O)C(C)(C)C 238179015 573881739 /nfs/dbraw/zinc/88/17/39/573881739.db2.gz XULCZIYGSLSWQO-MRVPVSSYSA-N 0 0 174.309 2.270 10 30 AEEERN CN=CNc1nccc2ccccc12 225034037 573881749 /nfs/dbraw/zinc/88/17/49/573881749.db2.gz QQOKOAPKWOERLV-UHFFFAOYSA-N 0 0 185.230 2.305 10 30 AEEERN CC1(C)CC=C([C@@H](O)C(C)(C)C)C1=O 238178846 573881750 /nfs/dbraw/zinc/88/17/50/573881750.db2.gz NQIQVMPIRJFUTC-SECBINFHSA-N 0 0 196.290 2.319 10 30 AEEERN N#CCc1nccc2c1CCCC2 238553886 573881830 /nfs/dbraw/zinc/88/18/30/573881830.db2.gz MKLWDRAESHAKHD-UHFFFAOYSA-N 0 0 172.231 2.026 10 30 AEEERN COCc1cc(CCC=O)ccc1F 258171133 573881879 /nfs/dbraw/zinc/88/18/79/573881879.db2.gz VVSNTQOTJHZWNT-UHFFFAOYSA-N 0 0 196.221 2.104 10 30 AEEERN C=C[C@H](O)C1(C)SCCCS1 238177995 573881908 /nfs/dbraw/zinc/88/19/08/573881908.db2.gz WVZOPRGJCZUXFF-ZETCQYMHSA-N 0 0 190.333 2.120 10 30 AEEERN CC1(C)CC(=O)C=C[C@@H]1CCC#N 238178881 573881912 /nfs/dbraw/zinc/88/19/12/573881912.db2.gz DDGRMONRNVLMOX-VIFPVBQESA-N 0 0 177.247 2.462 10 30 AEEERN C1=CN[C@@H](/N=C/c2ccccc2)C=C1 238553029 573881931 /nfs/dbraw/zinc/88/19/31/573881931.db2.gz LOCRUVZARAOASP-LQELWAHVSA-N 0 0 184.242 2.105 10 30 AEEERN N#Cc1cnsc1-c1ccncc1 259624771 573882051 /nfs/dbraw/zinc/88/20/51/573882051.db2.gz HABMSGIHKRCIRA-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1ccncc1 715040440 573882081 /nfs/dbraw/zinc/88/20/81/573882081.db2.gz ZYRJDMLPIUNCMB-ONGXEEELSA-N 0 0 177.247 2.327 10 30 AEEERN C#CCCCC#C[C@@H](O)C1(C)CCC1 238178705 573882125 /nfs/dbraw/zinc/88/21/25/573882125.db2.gz KQLBGPQBXXUKOZ-GFCCVEGCSA-N 0 0 190.286 2.344 10 30 AEEERN Nc1ccc(CS)c(Cl)c1 258170385 573882152 /nfs/dbraw/zinc/88/21/52/573882152.db2.gz RLIJPERATDFWND-UHFFFAOYSA-N 0 0 173.668 2.352 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CO[C@H](CC)C1 715039654 573882168 /nfs/dbraw/zinc/88/21/68/573882168.db2.gz XZCWJWBLZLVEKG-HBNTYKKESA-N 0 0 184.279 2.129 10 30 AEEERN N#CCc1cnc(-c2ccoc2)o1 238553383 573882181 /nfs/dbraw/zinc/88/21/81/573882181.db2.gz MBYBAQMBTYFEHE-UHFFFAOYSA-N 0 0 174.159 2.001 10 30 AEEERN Cn1ccnc1[C@H](C#N)c1ccccc1 258985522 573882220 /nfs/dbraw/zinc/88/22/20/573882220.db2.gz AGTXLIPUXNAUTF-LLVKDONJSA-N 0 0 197.241 2.076 10 30 AEEERN CCC#C[C@H](O)c1ccc(OC)cc1 238178605 573882231 /nfs/dbraw/zinc/88/22/31/573882231.db2.gz OADWHWFUXMSBEQ-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN C=CC[C@@H](C)[N@@H+](CC(=O)[O-])[C@@H](C)CC 715039138 573882323 /nfs/dbraw/zinc/88/23/23/573882323.db2.gz WWMVQVWQLDJVDT-VHSXEESVSA-N 0 0 199.294 2.136 10 30 AEEERN CC1([C@@H](F)C=O)CCCCC1 238177720 573882358 /nfs/dbraw/zinc/88/23/58/573882358.db2.gz XJOCPFRXWKKANZ-QMMMGPOBSA-N 0 0 158.216 2.494 10 30 AEEERN CC1(C)CC(=O)C=C[C@H]1CCC#N 238179018 573882373 /nfs/dbraw/zinc/88/23/73/573882373.db2.gz DDGRMONRNVLMOX-SECBINFHSA-N 0 0 177.247 2.462 10 30 AEEERN CC1=C[C@@H]2CC=CC(=O)[C@H]2CC1 238178237 573882460 /nfs/dbraw/zinc/88/24/60/573882460.db2.gz JEBAZWYFIGCZQW-UWVGGRQHSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC[C@H](C)[C@](C)(O)CCCOC 715040390 573882467 /nfs/dbraw/zinc/88/24/67/573882467.db2.gz ZMTBYSMXSOYJPI-WDEREUQCSA-N 0 0 186.295 2.376 10 30 AEEERN C=C[C@@H](O)C1(C)SCCCS1 238178795 573882537 /nfs/dbraw/zinc/88/25/37/573882537.db2.gz WVZOPRGJCZUXFF-SSDOTTSWSA-N 0 0 190.333 2.120 10 30 AEEERN Cc1ccc(C(=O)[C@H](C)C#N)c(F)c1 87331693 573882723 /nfs/dbraw/zinc/88/27/23/573882723.db2.gz CDSKKOHMNCATNW-MRVPVSSYSA-N 0 0 191.205 2.477 10 30 AEEERN CCC1(C(=O)C(C#N)C#N)CCCC1 87316856 573882742 /nfs/dbraw/zinc/88/27/42/573882742.db2.gz JIDAFKLPCSPKHZ-UHFFFAOYSA-N 0 0 190.246 2.189 10 30 AEEERN N#Cc1cc(Nc2ccccc2)n[nH]1 259579152 573882756 /nfs/dbraw/zinc/88/27/56/573882756.db2.gz BFGCNMHTEIDNPF-UHFFFAOYSA-N 0 0 184.202 2.025 10 30 AEEERN N#CCc1cnc(-c2ccsc2)o1 238553425 573882936 /nfs/dbraw/zinc/88/29/36/573882936.db2.gz QTZNTVAFLXKGHV-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN N#CCCC(F)(F)c1ccccn1 258984748 573882966 /nfs/dbraw/zinc/88/29/66/573882966.db2.gz KGNBFQLMCGGOSI-UHFFFAOYSA-N 0 0 182.173 2.477 10 30 AEEERN CN=C(C)Nc1nc(C)c(C)s1 225033275 573882969 /nfs/dbraw/zinc/88/29/69/573882969.db2.gz JWESUPCPKNAOJK-UHFFFAOYSA-N 0 0 183.280 2.220 10 30 AEEERN N#CCc1cnc(-c2ccoc2)s1 238553402 573883049 /nfs/dbraw/zinc/88/30/49/573883049.db2.gz PGSYYPNEGYESAS-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN N#Cc1cc2c(cc1Cl)CCC2=O 238553451 573883077 /nfs/dbraw/zinc/88/30/77/573883077.db2.gz WMBISXDETJOEDP-UHFFFAOYSA-N 0 0 191.617 2.341 10 30 AEEERN CC1(C)OC2=C(CCCC2)C1=O 238179080 573883091 /nfs/dbraw/zinc/88/30/91/573883091.db2.gz CAAYCZCEOMJFOA-UHFFFAOYSA-N 0 0 166.220 2.192 10 30 AEEERN C=CC[C@@H](C)[C@@]1(O)CCCOCC1 715044199 573885138 /nfs/dbraw/zinc/88/51/38/573885138.db2.gz UOFSZWZGFWVMIM-GHMZBOCLSA-N 0 0 184.279 2.130 10 30 AEEERN N#Cc1cc(C(F)F)cnc1F 238549447 573885190 /nfs/dbraw/zinc/88/51/90/573885190.db2.gz NQQNIDNOGUOIHX-UHFFFAOYSA-N 0 0 172.109 2.030 10 30 AEEERN C[C@@H](C#N)C(=O)C1(C)CCCC1 87316761 573884787 /nfs/dbraw/zinc/88/47/87/573884787.db2.gz KHMKBNHKOGCEJD-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN N#Cc1cc(Cl)cc2c1OCOC2 238554257 573884808 /nfs/dbraw/zinc/88/48/08/573884808.db2.gz PPOONXHKZPHYKS-UHFFFAOYSA-N 0 0 195.605 2.078 10 30 AEEERN C=C[C@]1(C)CO[C@@](C)(CC)O1 222768800 573884835 /nfs/dbraw/zinc/88/48/35/573884835.db2.gz NHIBFGBOXZMYQP-RKDXNWHRSA-N 0 0 156.225 2.104 10 30 AEEERN N#Cc1ccc2cc[nH]c2c1F 238555240 573884861 /nfs/dbraw/zinc/88/48/61/573884861.db2.gz HNZXDVCCXNFVOQ-UHFFFAOYSA-N 0 0 160.151 2.179 10 30 AEEERN N#CCc1ccncc1C(F)F 238560609 573885205 /nfs/dbraw/zinc/88/52/05/573885205.db2.gz LUAIBGBNLAAFAL-UHFFFAOYSA-N 0 0 168.146 2.085 10 30 AEEERN N#Cc1c(O)ccc2c1CC(=O)S2 307130518 573886760 /nfs/dbraw/zinc/88/67/60/573886760.db2.gz ROPMJGOQZPFKBG-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN CCC#Cc1ccccc1[N+](=O)[O-] 238179521 573886783 /nfs/dbraw/zinc/88/67/83/573886783.db2.gz VHWVRJIATMMYLC-UHFFFAOYSA-N 0 0 175.187 2.356 10 30 AEEERN C=C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1C 238554256 573886888 /nfs/dbraw/zinc/88/68/88/573886888.db2.gz LBNXVFKVNHNYFQ-JTQLQIEISA-N 0 0 192.218 2.089 10 30 AEEERN Cc1ccc(-c2c[nH]c(CS)n2)o1 258983974 573886933 /nfs/dbraw/zinc/88/69/33/573886933.db2.gz AEFBKPUXYVCDJG-UHFFFAOYSA-N 0 0 194.259 2.408 10 30 AEEERN C=CC[C@@H](C)C1(O)CC(OCC)C1 715044241 573886973 /nfs/dbraw/zinc/88/69/73/573886973.db2.gz VEVSMDCIDDSXMD-KPPDAEKUSA-N 0 0 184.279 2.129 10 30 AEEERN C=CC[C@@H](C)[C@](O)(COC)C(C)C 715043791 573886979 /nfs/dbraw/zinc/88/69/79/573886979.db2.gz PLZOKGJYFWAWDH-MNOVXSKESA-N 0 0 186.295 2.232 10 30 AEEERN C=CC[C@H](C)[C@](O)(COC)C(C)C 715043792 573886989 /nfs/dbraw/zinc/88/69/89/573886989.db2.gz PLZOKGJYFWAWDH-QWRGUYRKSA-N 0 0 186.295 2.232 10 30 AEEERN N#Cc1cc(O)c(N)c2sccc12 307120724 573887059 /nfs/dbraw/zinc/88/70/59/573887059.db2.gz HZBSVBFHFLDBIL-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC(C)(C)[C@H](O)CCCC#N 238179195 573887074 /nfs/dbraw/zinc/88/70/74/573887074.db2.gz VYQPDCJTJLHUEC-MRVPVSSYSA-N 0 0 155.241 2.087 10 30 AEEERN CC1=C[C@@](C)(c2ccccc2)C1=O 238180394 573887081 /nfs/dbraw/zinc/88/70/81/573887081.db2.gz XFYNXSASPYIZRY-LBPRGKRZSA-N 0 0 172.227 2.473 10 30 AEEERN CCC#Cc1cccc(C#N)c1 238179264 573887109 /nfs/dbraw/zinc/88/71/09/573887109.db2.gz MTKQCEKOBCDZCZ-UHFFFAOYSA-N 0 0 155.200 2.320 10 30 AEEERN CC(C)(C)c1cc(N)c(C#N)o1 259579657 573887111 /nfs/dbraw/zinc/88/71/11/573887111.db2.gz DZHCPVOBGRCXFK-UHFFFAOYSA-N 0 0 164.208 2.031 10 30 AEEERN CCC#Cc1ccccc1C#N 238179443 573887170 /nfs/dbraw/zinc/88/71/70/573887170.db2.gz SKMWOEAMXVAAGQ-UHFFFAOYSA-N 0 0 155.200 2.320 10 30 AEEERN C=CC[C@H](C)[C@H](O)CC(C)(C)OC 715044233 573887196 /nfs/dbraw/zinc/88/71/96/573887196.db2.gz VBLDAKFNLOTPKT-VHSXEESVSA-N 0 0 186.295 2.375 10 30 AEEERN C/C=C/C(=O)[C@H]1Cc2ccccc2O1 221403832 573887267 /nfs/dbraw/zinc/88/72/67/573887267.db2.gz YAZBCVHBWODWIT-ROLFPQFPSA-N 0 0 188.226 2.135 10 30 AEEERN CC1=C[C@@H]2C[C@H](C=O)C[C@@H]2C1 238179233 573887397 /nfs/dbraw/zinc/88/73/97/573887397.db2.gz UBZKPGHCBJHMCT-AEJSXWLSSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)[C@@H](CCC#N)C(C)=O 101956819 573887439 /nfs/dbraw/zinc/88/74/39/573887439.db2.gz FIXBGJSDESURCJ-SECBINFHSA-N 0 0 151.209 2.071 10 30 AEEERN N#CCC#Cc1ccccc1F 238556123 573887500 /nfs/dbraw/zinc/88/75/00/573887500.db2.gz WZRUHACZXUARDH-UHFFFAOYSA-N 0 0 159.163 2.091 10 30 AEEERN Cn1cc(C2CCCC2)nc1CC#N 259577114 573887593 /nfs/dbraw/zinc/88/75/93/573887593.db2.gz YOLUBRQURGEDBT-UHFFFAOYSA-N 0 0 189.262 2.144 10 30 AEEERN O=C1C=C[C@H]2CCCC[C@]12Cl 238556107 573887681 /nfs/dbraw/zinc/88/76/81/573887681.db2.gz LWGHSYWPSAZEPC-VXNVDRBHSA-N 0 0 170.639 2.293 10 30 AEEERN CCC#Cc1ccc(N)cc1 238179198 573887689 /nfs/dbraw/zinc/88/76/89/573887689.db2.gz FRBIOALZIXWMSO-UHFFFAOYSA-N 0 0 145.205 2.030 10 30 AEEERN CCCCCCCOCC#N 102023646 573887706 /nfs/dbraw/zinc/88/77/06/573887706.db2.gz LUBWYHVCBWNXNK-UHFFFAOYSA-N 0 0 155.241 2.497 10 30 AEEERN Cc1cc(N)c(O)c(C(C)(C)C#N)c1 238560981 573889353 /nfs/dbraw/zinc/88/93/53/573889353.db2.gz BLZKEYXAELYAEY-UHFFFAOYSA-N 0 0 190.246 2.084 10 30 AEEERN N#Cc1ccc2[nH]c(Cl)nc2c1F 238555428 573887735 /nfs/dbraw/zinc/88/77/35/573887735.db2.gz URLPSOUTKSJXAY-UHFFFAOYSA-N 0 0 195.584 2.227 10 30 AEEERN C=CC[C@H](C)[C@@](O)(COC)C(C)C 715043794 573887800 /nfs/dbraw/zinc/88/78/00/573887800.db2.gz PLZOKGJYFWAWDH-WDEREUQCSA-N 0 0 186.295 2.232 10 30 AEEERN CCC[C@@H](C#N)C(=O)C1CCC1 84428164 573887878 /nfs/dbraw/zinc/88/78/78/573887878.db2.gz QAWZHGOCRPAAHY-VIFPVBQESA-N 0 0 165.236 2.295 10 30 AEEERN Cc1ccc(-c2c[nH]c(C#N)n2)s1 238554776 573887911 /nfs/dbraw/zinc/88/79/11/573887911.db2.gz IQMUXKQGDMEWEW-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C[C@H](C=O)/C(Br)=C\Cl 222461471 573887963 /nfs/dbraw/zinc/88/79/63/573887963.db2.gz AWEPCEGIOKTSLW-FTXHYJFRSA-N 0 0 197.459 2.297 10 30 AEEERN CC(C)NC(=O)CC[C@@H](C#N)C(C)C 76582123 573887995 /nfs/dbraw/zinc/88/79/95/573887995.db2.gz ZXNSLDHHDVGUDX-JTQLQIEISA-N 0 0 196.294 2.087 10 30 AEEERN O=C[C@@H]1Cc2cc(Cl)ccc21 258445373 573888019 /nfs/dbraw/zinc/88/80/19/573888019.db2.gz FJZNBWNVFGKPBA-ZETCQYMHSA-N 0 0 166.607 2.179 10 30 AEEERN C=CC[C@@H](C)[C@]1(O)CCCOCC1 715044200 573888037 /nfs/dbraw/zinc/88/80/37/573888037.db2.gz UOFSZWZGFWVMIM-MNOVXSKESA-N 0 0 184.279 2.130 10 30 AEEERN C=CC[C@H](C)[C@@H](O)CC(C)(C)OC 715044232 573888057 /nfs/dbraw/zinc/88/80/57/573888057.db2.gz VBLDAKFNLOTPKT-UWVGGRQHSA-N 0 0 186.295 2.375 10 30 AEEERN CC(C)(C)[C@H]1CC(=O)[C@@](C)(C=O)C1 238182232 573888491 /nfs/dbraw/zinc/88/84/91/573888491.db2.gz UHHBYBDVPMOHBT-GZMMTYOYSA-N 0 0 182.263 2.217 10 30 AEEERN CC(C)(C)[C@H]1CC(=O)[C@](C)(C=O)C1 238182269 573888495 /nfs/dbraw/zinc/88/84/95/573888495.db2.gz UHHBYBDVPMOHBT-KWQFWETISA-N 0 0 182.263 2.217 10 30 AEEERN O=C[C@H]1Cc2cc(Cl)ccc21 258445362 573888624 /nfs/dbraw/zinc/88/86/24/573888624.db2.gz FJZNBWNVFGKPBA-SSDOTTSWSA-N 0 0 166.607 2.179 10 30 AEEERN C#Cc1ccccc1[C@H](O)c1ccco1 238719139 573888668 /nfs/dbraw/zinc/88/86/68/573888668.db2.gz DMYBNEXOOCYQIF-ZDUSSCGKSA-N 0 0 198.221 2.343 10 30 AEEERN CCC#Cc1cccc([N+](=O)[O-])c1 238179387 573888940 /nfs/dbraw/zinc/88/89/40/573888940.db2.gz HKZARRNIXAYWHB-UHFFFAOYSA-N 0 0 175.187 2.356 10 30 AEEERN C=C[C@@]1(C)CO[C@@](C)(CC)O1 222768917 573889029 /nfs/dbraw/zinc/88/90/29/573889029.db2.gz NHIBFGBOXZMYQP-DTWKUNHWSA-N 0 0 156.225 2.104 10 30 AEEERN C=C[C@]1(C)CCC[C@](C)(O)[C@@H]1CCO 211172055 573889049 /nfs/dbraw/zinc/88/90/49/573889049.db2.gz MJIXILLMDNSZQE-UTUOFQBUSA-N 0 0 198.306 2.112 10 30 AEEERN SCNCc1coc2ccccc12 258990369 573889079 /nfs/dbraw/zinc/88/90/79/573889079.db2.gz XLKNUSWUGYYTAN-UHFFFAOYSA-N 0 0 193.271 2.410 10 30 AEEERN C[C@@H](C#N)c1c[nH]c(-c2ccncc2)n1 259625340 573889183 /nfs/dbraw/zinc/88/91/83/573889183.db2.gz CMGAZTKOUNAZJL-QMMMGPOBSA-N 0 0 198.229 2.099 10 30 AEEERN C=C[C@@H](N)C(F)(F)c1ccccc1 238561167 573889231 /nfs/dbraw/zinc/88/92/31/573889231.db2.gz CAVZMMYPVZEOKL-SECBINFHSA-N 0 0 183.201 2.292 10 30 AEEERN CCCc1cc(C)nc(CCS)n1 258987399 573891764 /nfs/dbraw/zinc/89/17/64/573891764.db2.gz BZFNLCOLQMUKGH-UHFFFAOYSA-N 0 0 196.319 2.210 10 30 AEEERN C[C@]1(C=O)Cc2c(Cl)cccc2O1 259221354 573891657 /nfs/dbraw/zinc/89/16/57/573891657.db2.gz AYUIANRYTUYGCP-SNVBAGLBSA-N 0 0 196.633 2.233 10 30 AEEERN CC(C)=C1NC2=C(CCCC2)C1=O 238180658 573891742 /nfs/dbraw/zinc/89/17/42/573891742.db2.gz IQESAHMOFWZNIG-UHFFFAOYSA-N 0 0 177.247 2.281 10 30 AEEERN CC(C)[C@@H](C#N)c1cc[nH]c1 259223753 573891851 /nfs/dbraw/zinc/89/18/51/573891851.db2.gz RPGVLTOKHWMZPK-SECBINFHSA-N 0 0 148.209 2.278 10 30 AEEERN N#Cc1ccccc1NCc1cnco1 84413293 573892007 /nfs/dbraw/zinc/89/20/07/573892007.db2.gz ZKRFTTCSJXMTOS-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN C[C@H]1CCO[C@H]1C(=O)C1=CCCC1 123010667 573892008 /nfs/dbraw/zinc/89/20/08/573892008.db2.gz KYTTUCXRXZDSNG-GZMMTYOYSA-N 0 0 180.247 2.091 10 30 AEEERN Cc1cccc2cc([C@@H](N)C#N)cnc12 259577611 573893138 /nfs/dbraw/zinc/89/31/38/573893138.db2.gz JVVVRFBGSQODFV-NSHDSACASA-N 0 0 197.241 2.067 10 30 AEEERN C[C@H]1C[C@@]1(C#N)c1ccccc1 76592376 573892173 /nfs/dbraw/zinc/89/21/73/573892173.db2.gz MONJODNFHURZOR-ONGXEEELSA-N 0 0 157.216 2.488 10 30 AEEERN C[C@]1(C#N)C[C@H]1C1CCC1 258987112 573892191 /nfs/dbraw/zinc/89/21/91/573892191.db2.gz KRHCVPBHXJEFRH-DTWKUNHWSA-N 0 0 135.210 2.336 10 30 AEEERN C[C@]1(C#N)C[C@@H]1C1CCC1 258987119 573892203 /nfs/dbraw/zinc/89/22/03/573892203.db2.gz KRHCVPBHXJEFRH-RKDXNWHRSA-N 0 0 135.210 2.336 10 30 AEEERN COc1ccc([C@](C)(F)C=O)cc1 257895885 573892498 /nfs/dbraw/zinc/89/24/98/573892498.db2.gz OEQZWVGMBDPRIB-SNVBAGLBSA-N 0 0 182.194 2.079 10 30 AEEERN C[C@H](C#N)c1c[nH]c(-c2ccncc2)n1 259625334 573892544 /nfs/dbraw/zinc/89/25/44/573892544.db2.gz CMGAZTKOUNAZJL-MRVPVSSYSA-N 0 0 198.229 2.099 10 30 AEEERN CC12CCC(CC1)[C@@]2(C)C=O 238180857 573892587 /nfs/dbraw/zinc/89/25/87/573892587.db2.gz HEOKTYUDLCFFTF-UDNWOFFPSA-N 0 0 152.237 2.402 10 30 AEEERN C[C@@H]1CCO[C@@H]1C(=O)C1=CCCCC1 123009183 573892613 /nfs/dbraw/zinc/89/26/13/573892613.db2.gz RROKWNDBQCRRGV-SKDRFNHKSA-N 0 0 194.274 2.481 10 30 AEEERN C=CC[C@@H](C(C)=O)C(F)(F)F 144962270 573892645 /nfs/dbraw/zinc/89/26/45/573892645.db2.gz JWUMOTXITDKQTA-LURJTMIESA-N 0 0 166.142 2.330 10 30 AEEERN C[C@H]1CCO[C@H]1C(=O)C1=CCCCC1 123009796 573892701 /nfs/dbraw/zinc/89/27/01/573892701.db2.gz RROKWNDBQCRRGV-JOYOIKCWSA-N 0 0 194.274 2.481 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1ccnc(C)n1 715047872 573892748 /nfs/dbraw/zinc/89/27/48/573892748.db2.gz VQYVHOQIKSDWLY-KWQFWETISA-N 0 0 192.262 2.031 10 30 AEEERN CC(C)[C@H](C#N)c1cc[nH]c1 259223755 573892814 /nfs/dbraw/zinc/89/28/14/573892814.db2.gz RPGVLTOKHWMZPK-VIFPVBQESA-N 0 0 148.209 2.278 10 30 AEEERN N#Cc1cccc(NC2CC2)c1 84427286 573892817 /nfs/dbraw/zinc/89/28/17/573892817.db2.gz XNWBTUMJAJVLJM-UHFFFAOYSA-N 0 0 158.204 2.133 10 30 AEEERN CCOc1ccccc1OCCS 41209457 573892913 /nfs/dbraw/zinc/89/29/13/573892913.db2.gz KYEAKRAEEZGYLK-UHFFFAOYSA-N 0 0 198.287 2.394 10 30 AEEERN COc1cccc2c1[C@@H](CC=O)CC2 257894816 573893067 /nfs/dbraw/zinc/89/30/67/573893067.db2.gz XTJRQVHDCZIPPY-SNVBAGLBSA-N 0 0 190.242 2.314 10 30 AEEERN C#CC[C@H]1CC(C)(C)CCC1=O 238194194 573893903 /nfs/dbraw/zinc/89/39/03/573893903.db2.gz SGKVQYKUFVLFKB-VIFPVBQESA-N 0 0 164.248 2.405 10 30 AEEERN CC12CCC(CC1)[C@]2(C)C=O 238181180 573894039 /nfs/dbraw/zinc/89/40/39/573894039.db2.gz HEOKTYUDLCFFTF-RTBKNWGFSA-N 0 0 152.237 2.402 10 30 AEEERN CCC1=C(C)C(=O)C(C)=C(C)C1=O 80313409 573894044 /nfs/dbraw/zinc/89/40/44/573894044.db2.gz QFVAOPKDKGJECP-UHFFFAOYSA-N 0 0 178.231 2.201 10 30 AEEERN COc1ccc(C)c(C)c1CCC=O 258173600 573894130 /nfs/dbraw/zinc/89/41/30/573894130.db2.gz VYONKQIPGFVHPP-UHFFFAOYSA-N 0 0 192.258 2.444 10 30 AEEERN Cc1[nH]c2ccccc2c1NCC=O 258993549 573894166 /nfs/dbraw/zinc/89/41/66/573894166.db2.gz ZKPRLKMGGIQDBS-UHFFFAOYSA-N 0 0 188.230 2.087 10 30 AEEERN Cc1cc(CCC=O)cc(F)c1F 258173901 573894258 /nfs/dbraw/zinc/89/42/58/573894258.db2.gz WDMJXZADMGLIRE-UHFFFAOYSA-N 0 0 184.185 2.405 10 30 AEEERN CN[C@@H](c1cc[nH]c1)[C@H](C#N)C(C)C 259224840 573894878 /nfs/dbraw/zinc/89/48/78/573894878.db2.gz MHNSRYIAYPPGIB-MNOVXSKESA-N 0 0 191.278 2.071 10 30 AEEERN CN[C@H](c1cc[nH]c1)[C@H](C#N)C(C)C 259224835 573894373 /nfs/dbraw/zinc/89/43/73/573894373.db2.gz MHNSRYIAYPPGIB-GHMZBOCLSA-N 0 0 191.278 2.071 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1ccnc(C)n1 715047873 573894414 /nfs/dbraw/zinc/89/44/14/573894414.db2.gz VQYVHOQIKSDWLY-LDYMZIIASA-N 0 0 192.262 2.031 10 30 AEEERN C=C(C)[C@@H](O)CCC#CCC 238174658 573894561 /nfs/dbraw/zinc/89/45/61/573894561.db2.gz MDAZDSKFYQYBMD-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN CC1(C[C@H](N)C#N)CCCCC1 238174598 573894599 /nfs/dbraw/zinc/89/45/99/573894599.db2.gz RGTYZPIRNWFPJA-VIFPVBQESA-N 0 0 166.268 2.198 10 30 AEEERN CC1=CC(=O)[C@H](C(C)C)[C@H]1C 238174165 573894669 /nfs/dbraw/zinc/89/46/69/573894669.db2.gz YIJKIOIFSFMCOT-WCBMZHEXSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)(C)Nc1cnccc1C#N 84444163 573894718 /nfs/dbraw/zinc/89/47/18/573894718.db2.gz XGYKFOVXYSISKU-UHFFFAOYSA-N 0 0 175.235 2.164 10 30 AEEERN Cc1cc(C#N)c(C)c(C)c1O 259578237 573894756 /nfs/dbraw/zinc/89/47/56/573894756.db2.gz XFLIEBWOZYIKTH-UHFFFAOYSA-N 0 0 161.204 2.189 10 30 AEEERN C=C1CC(C)(C)NC(=O)S1 238175013 573894794 /nfs/dbraw/zinc/89/47/94/573894794.db2.gz FVWQUSFVDLHQOC-UHFFFAOYSA-N 0 0 157.238 2.125 10 30 AEEERN CCC#CCCC1=C(C)[C@H](O)C1 238174055 573896793 /nfs/dbraw/zinc/89/67/93/573896793.db2.gz HOKXRGFTCYYMOF-LLVKDONJSA-N 0 0 164.248 2.261 10 30 AEEERN CCC#CCCC1=C(C)C(=O)C1 238174002 573896951 /nfs/dbraw/zinc/89/69/51/573896951.db2.gz OATKNMJKEGOSBP-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN CN[C@@H](c1ccc[nH]1)[C@H](C#N)C(C)C 259227166 573896958 /nfs/dbraw/zinc/89/69/58/573896958.db2.gz MLMBLMRUQNICDG-MWLCHTKSSA-N 0 0 191.278 2.071 10 30 AEEERN C=C[C@@H]1CC(C)(C)[C@@H]1C(C)=O 238174174 573897690 /nfs/dbraw/zinc/89/76/90/573897690.db2.gz QWRQRCNZANUJAR-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN CN[C@@H](c1ccc[nH]1)[C@@H](C#N)C(C)C 259227157 573897235 /nfs/dbraw/zinc/89/72/35/573897235.db2.gz MLMBLMRUQNICDG-GXSJLCMTSA-N 0 0 191.278 2.071 10 30 AEEERN COc1c(C)cc(C)cc1C(=O)C#N 259227144 573897260 /nfs/dbraw/zinc/89/72/60/573897260.db2.gz QLKUJYCSAVZGDY-UHFFFAOYSA-N 0 0 189.214 2.018 10 30 AEEERN C=C[C@H]1[C@@H](C(C)=O)C1(C)C 238174150 573897286 /nfs/dbraw/zinc/89/72/86/573897286.db2.gz DDHSSFXNBYUHKT-JGVFFNPUSA-N 0 0 138.210 2.034 10 30 AEEERN CCC#CCCNC(=O)OC(C)(C)C 238174497 573897427 /nfs/dbraw/zinc/89/74/27/573897427.db2.gz UTURWBYCGIJQMU-UHFFFAOYSA-N 0 0 197.278 2.315 10 30 AEEERN N#Cc1c(N)noc1C1CCCCC1 84452722 573897711 /nfs/dbraw/zinc/89/77/11/573897711.db2.gz ZSYVICJCGCEBAZ-UHFFFAOYSA-N 0 0 191.234 2.176 10 30 AEEERN Cc1ccc(-c2oncc2C#N)o1 84443916 573897571 /nfs/dbraw/zinc/89/75/71/573897571.db2.gz UYDZUFHRWKXWQN-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN CC1([C@](C)(Cl)C#N)CC1 87366994 573899636 /nfs/dbraw/zinc/89/96/36/573899636.db2.gz OFVFRSOXGUJACD-SSDOTTSWSA-N 0 0 143.617 2.308 10 30 AEEERN CC1([C@@]2(C)CC(=O)C=CO2)CC1 87367709 573899651 /nfs/dbraw/zinc/89/96/51/573899651.db2.gz ZBFWUTGOJWXCFK-SNVBAGLBSA-N 0 0 166.220 2.048 10 30 AEEERN CC[C@@H](C#N)[C@@](C)(O)C1(C)CC1 87369128 573900100 /nfs/dbraw/zinc/90/01/00/573900100.db2.gz CUNICZXMQOCRHY-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CCC[C@H]1OC 715052933 573899511 /nfs/dbraw/zinc/89/95/11/573899511.db2.gz JNCDKHRMEYYTEW-AXFHLTTASA-N 0 0 184.279 2.129 10 30 AEEERN CC(F)(F)[C@@H](CC=O)C1CC1 258443509 573899752 /nfs/dbraw/zinc/89/97/52/573899752.db2.gz FHFGWHVBYWAINJ-ZETCQYMHSA-N 0 0 162.179 2.257 10 30 AEEERN N#Cc1cnoc1-c1cccs1 84444331 573899680 /nfs/dbraw/zinc/89/96/80/573899680.db2.gz LWFIHJLRBFRUNN-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN CC(C)=NC[C@@H](O)c1ccccc1 238175454 573899692 /nfs/dbraw/zinc/89/96/92/573899692.db2.gz IQOXCLVFQUJQIH-LLVKDONJSA-N 0 0 177.247 2.201 10 30 AEEERN CC1(C)Cc2cccc([C@@H]3CO3)c2O1 80510734 573899761 /nfs/dbraw/zinc/89/97/61/573899761.db2.gz ZHFNTJUUSQTVRR-JTQLQIEISA-N 0 0 190.242 2.471 10 30 AEEERN CC1(C)O[C@H]1Cc1ccccc1O 238190437 573899765 /nfs/dbraw/zinc/89/97/65/573899765.db2.gz WLAXREFZZRBFRC-JTQLQIEISA-N 0 0 178.231 2.112 10 30 AEEERN CC1([C@@](C)(C#N)N2CCCC2)CC1 87366456 573899866 /nfs/dbraw/zinc/89/98/66/573899866.db2.gz ULADKXNNKZJJBD-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN CC1(C)CC(=O)C(=S)C(O)C1 238189560 573899873 /nfs/dbraw/zinc/89/98/73/573899873.db2.gz TUTLBIBAJKWMAW-UHFFFAOYSA-N 0 0 172.249 2.075 10 30 AEEERN COC(O)=CC(=O)c1ccc(C)cc1 102428675 573899897 /nfs/dbraw/zinc/89/98/97/573899897.db2.gz BPMXRGMWDWLWOQ-YRNVUSSQSA-N 0 0 192.214 2.224 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CCC[C@H]1OC 715052936 573899934 /nfs/dbraw/zinc/89/99/34/573899934.db2.gz JNCDKHRMEYYTEW-HBNTYKKESA-N 0 0 184.279 2.129 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CCC[C@@H]1OC 715052935 573899966 /nfs/dbraw/zinc/89/99/66/573899966.db2.gz JNCDKHRMEYYTEW-GARJFASQSA-N 0 0 184.279 2.129 10 30 AEEERN CC[C@H](C#N)[C@](C)(O)C1(C)CC1 87369125 573899994 /nfs/dbraw/zinc/89/99/94/573899994.db2.gz CUNICZXMQOCRHY-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN CC1([C@@](C)(O)C2(C#N)CCC2)CC1 87369203 573900022 /nfs/dbraw/zinc/90/00/22/573900022.db2.gz RTGRLXQTXHBHFB-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN CCCOC(=O)CCCCCC#N 308461100 573900153 /nfs/dbraw/zinc/90/01/53/573900153.db2.gz HQFQZAKHCPTXSB-UHFFFAOYSA-N 0 0 183.251 2.414 10 30 AEEERN Cc1cc(C)c(C)c([C@@H](N)C#N)c1C 258997800 573904148 /nfs/dbraw/zinc/90/41/48/573904148.db2.gz GPCYYXOZCODZGH-NSHDSACASA-N 0 0 188.274 2.444 10 30 AEEERN CO[C@](C)(CC=O)c1cccc(F)c1 257896021 573904979 /nfs/dbraw/zinc/90/49/79/573904979.db2.gz XXNDUACWNJQDPZ-LLVKDONJSA-N 0 0 196.221 2.276 10 30 AEEERN C=CC[C@@H](C)S[C@H](C)CO 715055982 573904980 /nfs/dbraw/zinc/90/49/80/573904980.db2.gz AITCJRWQXKDAQG-HTQZYQBOSA-N 0 0 160.282 2.065 10 30 AEEERN Cc1ccc(C2(S)COC2)cc1C 259225921 573905023 /nfs/dbraw/zinc/90/50/23/573905023.db2.gz MCEALEYYSGBAAO-UHFFFAOYSA-N 0 0 194.299 2.459 10 30 AEEERN C/C=C/C/C=C\CC=O 78707985 573904058 /nfs/dbraw/zinc/90/40/58/573904058.db2.gz JXWOTJZICSULTA-OHAITUNLSA-N 0 0 124.183 2.098 10 30 AEEERN SC[C@H]1CNc2ccccc2C1 258178680 573904112 /nfs/dbraw/zinc/90/41/12/573904112.db2.gz OQKBSEZECXPXBN-MRVPVSSYSA-N 0 0 179.288 2.201 10 30 AEEERN C=C1[C@@H]2C=CC[C@@H]2C(=O)C1(C)C 238191470 573904146 /nfs/dbraw/zinc/90/41/46/573904146.db2.gz NDZAKIMRESYEJW-IUCAKERBSA-N 0 0 162.232 2.344 10 30 AEEERN C=C[C@H](O)/C=C/CCCC 238192361 573903442 /nfs/dbraw/zinc/90/34/42/573903442.db2.gz YLBUZFPQHAKRPP-FLOXNTQESA-N 0 0 140.226 2.280 10 30 AEEERN CCC=CC(=O)Cc1ccncc1 393569071 573903459 /nfs/dbraw/zinc/90/34/59/573903459.db2.gz RVHGNDYBFRBYSR-ARJAWSKDSA-N 0 0 175.231 2.159 10 30 AEEERN Cc1cc2c(s1)c(N)c(C#N)n2C 259584232 573903495 /nfs/dbraw/zinc/90/34/95/573903495.db2.gz ZFSIPAUBTLIEKU-UHFFFAOYSA-N 0 0 191.259 2.002 10 30 AEEERN Cc1csc(CC2=CC(=O)CC2)n1 87397506 573903588 /nfs/dbraw/zinc/90/35/88/573903588.db2.gz GEDLMWIQPRTOSB-UHFFFAOYSA-N 0 0 193.271 2.283 10 30 AEEERN C=CCOc1cc(N)c(C)cc1C 235788470 573903589 /nfs/dbraw/zinc/90/35/89/573903589.db2.gz SZQGDVPBIGNLHK-UHFFFAOYSA-N 0 0 177.247 2.450 10 30 AEEERN CCc1cccc(C#N)c1C 205528716 573903591 /nfs/dbraw/zinc/90/35/91/573903591.db2.gz UTMYPYVTFUNUBE-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN Cc1cc(C(C)(C)C#N)sn1 259579836 573903855 /nfs/dbraw/zinc/90/38/55/573903855.db2.gz FBOLIVYIZURHSI-UHFFFAOYSA-N 0 0 166.249 2.253 10 30 AEEERN O=CCC(F)(F)C1CCCC1 258450241 573903864 /nfs/dbraw/zinc/90/38/64/573903864.db2.gz FVXAZBXLJCYSFC-UHFFFAOYSA-N 0 0 162.179 2.401 10 30 AEEERN C[C@H](C#N)N(CCC#N)c1ccccc1 44427388 573903969 /nfs/dbraw/zinc/90/39/69/573903969.db2.gz ASDFBUFDJTXPAL-LLVKDONJSA-N 0 0 199.257 2.319 10 30 AEEERN CC1(C)C(=O)C=Cc2ccc(O)cc21 238191818 573904999 /nfs/dbraw/zinc/90/49/99/573904999.db2.gz IYXAWOKLAMCLFD-UHFFFAOYSA-N 0 0 188.226 2.266 10 30 AEEERN Cc1ccc(-n2ccc(C#N)n2)cc1 258996733 573905092 /nfs/dbraw/zinc/90/50/92/573905092.db2.gz GNKJMTLBTWTWOW-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN C=C1[C@H]2C=CC[C@@H]2C(=O)C1(C)C 238191516 573905236 /nfs/dbraw/zinc/90/52/36/573905236.db2.gz NDZAKIMRESYEJW-BDAKNGLRSA-N 0 0 162.232 2.344 10 30 AEEERN C=C(CCO)[C@H]1CCCSC1 258178189 573905183 /nfs/dbraw/zinc/90/51/83/573905183.db2.gz LXILQWZFIXFBRB-VIFPVBQESA-N 0 0 172.293 2.068 10 30 AEEERN CCO/C=C\C(=O)c1ccoc1 211761718 573905258 /nfs/dbraw/zinc/90/52/58/573905258.db2.gz SOYUCLRWXWORGF-XQRVVYSFSA-N 0 0 166.176 2.013 10 30 AEEERN CC(C)[C@@H](C#N)[C@@H](O)c1ccco1 238193240 573905288 /nfs/dbraw/zinc/90/52/88/573905288.db2.gz DCRQSMDSCBLXRS-PSASIEDQSA-N 0 0 179.219 2.109 10 30 AEEERN C=CC(=O)Cc1cc(F)ccc1C 235781335 573905299 /nfs/dbraw/zinc/90/52/99/573905299.db2.gz QMTPICPEKVVPHI-UHFFFAOYSA-N 0 0 178.206 2.432 10 30 AEEERN CO[C@@](C)(CC=O)c1cccc(F)c1 257896023 573905320 /nfs/dbraw/zinc/90/53/20/573905320.db2.gz XXNDUACWNJQDPZ-NSHDSACASA-N 0 0 196.221 2.276 10 30 AEEERN CC1(C)CC=C[C@]1(C)C=O 238192828 573905340 /nfs/dbraw/zinc/90/53/40/573905340.db2.gz YPLOJEMOUOYBAN-SECBINFHSA-N 0 0 138.210 2.178 10 30 AEEERN O=CC/C=C/[C@H]1O[C@H]1C1CCCCC1 393569689 573905391 /nfs/dbraw/zinc/90/53/91/573905391.db2.gz UONGYAVQYRJYLW-QHSOFBSUSA-N 0 0 194.274 2.479 10 30 AEEERN C=C1[C@H]2C=CC[C@H]2C(=O)C1(C)C 238191537 573905403 /nfs/dbraw/zinc/90/54/03/573905403.db2.gz NDZAKIMRESYEJW-RKDXNWHRSA-N 0 0 162.232 2.344 10 30 AEEERN CCC(=O)C1=CC(=O)C=CC1(C)C 238192082 573905408 /nfs/dbraw/zinc/90/54/08/573905408.db2.gz OEFHYVIRISNGER-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN CC(C)[C@@](C)(C=O)c1ccco1 238192898 573906022 /nfs/dbraw/zinc/90/60/22/573906022.db2.gz BCSIXDNKKWUMCI-SNVBAGLBSA-N 0 0 166.220 2.392 10 30 AEEERN O=CC/C=C/[C@@H]1O[C@@H]1C1CCCCC1 393569690 573905597 /nfs/dbraw/zinc/90/55/97/573905597.db2.gz UONGYAVQYRJYLW-RHFIQAJLSA-N 0 0 194.274 2.479 10 30 AEEERN C=C1C=CCC(C)(C)[C@H]1CO 238191221 573905600 /nfs/dbraw/zinc/90/56/00/573905600.db2.gz ZYSTVWGAMKSNCE-VIFPVBQESA-N 0 0 152.237 2.137 10 30 AEEERN CCC(=O)C1=CC(C)(C)N=N1 238192105 573905617 /nfs/dbraw/zinc/90/56/17/573905617.db2.gz HHYUUCPDGZWESL-UHFFFAOYSA-N 0 0 152.197 2.094 10 30 AEEERN CC1(C)O[C@]1(CC=O)c1ccccc1 238191658 573905628 /nfs/dbraw/zinc/90/56/28/573905628.db2.gz VDBAYPANLZMCJQ-GFCCVEGCSA-N 0 0 190.242 2.280 10 30 AEEERN C=C1CCC(=O)C(C)=C1C 238192946 573905707 /nfs/dbraw/zinc/90/57/07/573905707.db2.gz NFGXBKOVZGUAER-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN N#Cc1ncnc2cccc(Cl)c12 306776863 573905749 /nfs/dbraw/zinc/90/57/49/573905749.db2.gz MKQIXUUFGAGQAI-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN C=C(CCO)[C@@H]1CCCSC1 258178188 573905791 /nfs/dbraw/zinc/90/57/91/573905791.db2.gz LXILQWZFIXFBRB-SECBINFHSA-N 0 0 172.293 2.068 10 30 AEEERN Cc1cccc(NCCC#N)c1C#N 235783036 573905809 /nfs/dbraw/zinc/90/58/09/573905809.db2.gz MOWILKLXRZXFQW-UHFFFAOYSA-N 0 0 185.230 2.192 10 30 AEEERN OCC/N=C\c1ccc2ccccc2c1 308779845 573905862 /nfs/dbraw/zinc/90/58/62/573905862.db2.gz PTDPQAMMVBCXAG-UVTDQMKNSA-N 0 0 199.253 2.251 10 30 AEEERN CCC(=O)C(C)=C(N)c1ccccc1 238191177 573905888 /nfs/dbraw/zinc/90/58/88/573905888.db2.gz BBEBZRQPGFPKDU-FMIVXFBMSA-N 0 0 189.258 2.355 10 30 AEEERN C=C1[C@@H]2C=CC[C@H]2C(=O)C1(C)C 238191483 573905925 /nfs/dbraw/zinc/90/59/25/573905925.db2.gz NDZAKIMRESYEJW-DTWKUNHWSA-N 0 0 162.232 2.344 10 30 AEEERN CCC(=O)C1=C(C)CCC1 238191655 573905930 /nfs/dbraw/zinc/90/59/30/573905930.db2.gz XTTWTALYTGJQGN-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN C=C[C@@H](O)C1=CCC(C)(C)C1 238191148 573905953 /nfs/dbraw/zinc/90/59/53/573905953.db2.gz UHHHWTKTXGNYSX-SECBINFHSA-N 0 0 152.237 2.280 10 30 AEEERN CCOc1ccccc1[C@](C)(F)C=O 257904147 573905958 /nfs/dbraw/zinc/90/59/58/573905958.db2.gz ZEXXFBCHQOSZQI-LLVKDONJSA-N 0 0 196.221 2.469 10 30 AEEERN C=C(CC)[C@@H](O)C=C(C)C 238183706 573910723 /nfs/dbraw/zinc/91/07/23/573910723.db2.gz HQKBFXWVAHTOCO-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=CC(=O)C1=CC(C)(C)CC1 238195154 573908288 /nfs/dbraw/zinc/90/82/88/573908288.db2.gz XLNLVYWTNBQWSA-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CCc1nc2cccc(C#N)c2o1 306793327 573907710 /nfs/dbraw/zinc/90/77/10/573907710.db2.gz AZYHMSYSHUSBKO-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN CC1=C(C)C(=O)C2=CC[C@@H](C2)C1 238194502 573907893 /nfs/dbraw/zinc/90/78/93/573907893.db2.gz JLNCHDRSQPBRNR-NXEZZACHSA-N 0 0 162.232 2.488 10 30 AEEERN C=CC(=C)CC(=O)CC 238193851 573908119 /nfs/dbraw/zinc/90/81/19/573908119.db2.gz XYPVPFSOZKBGNQ-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN CCN(CCC#N)c1ccc(C#N)cc1 44413375 573908123 /nfs/dbraw/zinc/90/81/23/573908123.db2.gz JYKWUIRGBQDHBR-UHFFFAOYSA-N 0 0 199.257 2.298 10 30 AEEERN C=CC[C@H]1C=CC(=O)C[C@@H]1C 80809987 573909586 /nfs/dbraw/zinc/90/95/86/573909586.db2.gz OLWOTJPIKHMVMD-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C=CC[NH2+][C@](C)(CCC(C)C)C(=O)[O-] 41731430 573909785 /nfs/dbraw/zinc/90/97/85/573909785.db2.gz UMLXMYYGUFITSG-LLVKDONJSA-N 0 0 199.294 2.042 10 30 AEEERN CCCN(CC#N)C(=O)CC(C)(C)C 44373087 573910709 /nfs/dbraw/zinc/91/07/09/573910709.db2.gz KDVUBLRVYLPOHS-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC1=C[C@H]2CC=CC(=O)[C@@H]2CC1 238183209 573911974 /nfs/dbraw/zinc/91/19/74/573911974.db2.gz JEBAZWYFIGCZQW-NXEZZACHSA-N 0 0 162.232 2.488 10 30 AEEERN CC1=CC(=O)[C@H](C)[C@@H]1C(C)C 238183510 573912720 /nfs/dbraw/zinc/91/27/20/573912720.db2.gz UKVOHBJJWNYKLT-WCBMZHEXSA-N 0 0 152.237 2.424 10 30 AEEERN COc1cccc([C@]2(C)C[C@H]2C=O)c1 257898226 573912734 /nfs/dbraw/zinc/91/27/34/573912734.db2.gz YJKJMSQGIXPRSV-JQWIXIFHSA-N 0 0 190.242 2.172 10 30 AEEERN C=C1C=CCC[C@]1(C)C(C)=O 238182907 573912738 /nfs/dbraw/zinc/91/27/38/573912738.db2.gz PQZMKZURESTSTB-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN COc1c(C)cc(C)c(C#N)c1OC 258179291 573912788 /nfs/dbraw/zinc/91/27/88/573912788.db2.gz WNSQTPWSPDZQDK-UHFFFAOYSA-N 0 0 191.230 2.192 10 30 AEEERN CCSCC[C@](C)(C#N)C(C)=O 131661777 573912690 /nfs/dbraw/zinc/91/26/90/573912690.db2.gz SLQOEVRYPSMGLV-SECBINFHSA-N 0 0 185.292 2.248 10 30 AEEERN C=C(C)/C=C(\CO)C(C)C 238182936 573912790 /nfs/dbraw/zinc/91/27/90/573912790.db2.gz NRWKWHGSTNYWSC-WEVVVXLNSA-N 0 0 140.226 2.137 10 30 AEEERN CC(C)(C)[C@H]1CCC(=O)/C(=N/O)C1 238183084 573911628 /nfs/dbraw/zinc/91/16/28/573911628.db2.gz VBEDBMDDUBRMDB-AHHRJZGPSA-N 0 0 183.251 2.232 10 30 AEEERN COc1cccc([C@@]2(C)C[C@@H]2C=O)c1 257898229 573912710 /nfs/dbraw/zinc/91/27/10/573912710.db2.gz YJKJMSQGIXPRSV-ZYHUDNBSSA-N 0 0 190.242 2.172 10 30 AEEERN Cc1cc(C)c([C@@H](O)CC=O)cc1C 235799411 573911662 /nfs/dbraw/zinc/91/16/62/573911662.db2.gz QAUAKDTZXHWWPX-LBPRGKRZSA-N 0 0 192.258 2.234 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@](C)(CC)OC 715057518 573911746 /nfs/dbraw/zinc/91/17/46/573911746.db2.gz HJDZMFBJULPJNI-DCAQKATOSA-N 0 0 186.295 2.375 10 30 AEEERN CC1(C)CNc2cc(C#N)ccc2O1 38996340 573911782 /nfs/dbraw/zinc/91/17/82/573911782.db2.gz DIJIMOVRKFEFGE-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CC(C)[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C#N 238183248 573911816 /nfs/dbraw/zinc/91/18/16/573911816.db2.gz ANVQHQJQLVDZCW-NGZCFLSTSA-N 0 0 179.263 2.397 10 30 AEEERN CC(C)(C#N)N1CCCC2(CC2)C1 306366671 573911844 /nfs/dbraw/zinc/91/18/44/573911844.db2.gz HAEZNYHTOLQAGZ-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN C=C(CC)[C@@H](O)c1ccncc1 238183988 573911850 /nfs/dbraw/zinc/91/18/50/573911850.db2.gz RDWJMPJXTWIICG-SNVBAGLBSA-N 0 0 163.220 2.081 10 30 AEEERN C=CCNC(=O)SC(C)C 238183353 573911892 /nfs/dbraw/zinc/91/18/92/573911892.db2.gz GBCREOIUODMSII-UHFFFAOYSA-N 0 0 159.254 2.024 10 30 AEEERN ON=Cc1cncc2ccccc12 388455656 573911922 /nfs/dbraw/zinc/91/19/22/573911922.db2.gz XIMDXXGICCHIPT-UHFFFAOYSA-N 0 0 172.187 2.043 10 30 AEEERN CCSCC[C@]1(C#N)CCCC1=O 131659899 573912050 /nfs/dbraw/zinc/91/20/50/573912050.db2.gz CJPSPNIQQIGEOG-JTQLQIEISA-N 0 0 197.303 2.393 10 30 AEEERN CC(C)c1ccnc(C(C)(C)C#N)n1 259002032 573912107 /nfs/dbraw/zinc/91/21/07/573912107.db2.gz DIODDRXJWBSFJL-UHFFFAOYSA-N 0 0 189.262 2.401 10 30 AEEERN CC(=O)[C@@]1(C)C[C@@H](C=O)C(C)(C)C1 238183349 573912124 /nfs/dbraw/zinc/91/21/24/573912124.db2.gz MMSZFZBLLIJVDT-ONGXEEELSA-N 0 0 182.263 2.217 10 30 AEEERN CSCCC[C@@]1(C#N)CCOC1 131652955 573912131 /nfs/dbraw/zinc/91/21/31/573912131.db2.gz MOHMWBIUZQKJPX-VIFPVBQESA-N 0 0 185.292 2.060 10 30 AEEERN C=C(CC)[C@@H](O)C#C[Si](C)(C)C 238183602 573912132 /nfs/dbraw/zinc/91/21/32/573912132.db2.gz XYGLPZIQFYSMPE-JTQLQIEISA-N 0 0 182.339 2.194 10 30 AEEERN COc1cccc([C@@]2(C)C[C@H]2C=O)c1 257898225 573912157 /nfs/dbraw/zinc/91/21/57/573912157.db2.gz YJKJMSQGIXPRSV-CMPLNLGQSA-N 0 0 190.242 2.172 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@](C)(CC)OC 715057516 573912181 /nfs/dbraw/zinc/91/21/81/573912181.db2.gz HJDZMFBJULPJNI-AXFHLTTASA-N 0 0 186.295 2.375 10 30 AEEERN Cn1c(CS)cc2cccc(N)c21 257897353 573912247 /nfs/dbraw/zinc/91/22/47/573912247.db2.gz NLQUESLCBGPGSB-UHFFFAOYSA-N 0 0 192.287 2.190 10 30 AEEERN C=C[C@H](O)[C@H](C=C)Oc1ccccc1 238721408 573912265 /nfs/dbraw/zinc/91/22/65/573912265.db2.gz FOFYJANZQCNFBB-RYUDHWBXSA-N 0 0 190.242 2.167 10 30 AEEERN CC(C)(O)[C@@H](C=O)C1CCCCC1 238182916 573912282 /nfs/dbraw/zinc/91/22/82/573912282.db2.gz QUYKHEHIMORTRG-JTQLQIEISA-N 0 0 184.279 2.153 10 30 AEEERN CC(=O)[C@@]1(C)CCC(C)(C)[C@@H]1C=O 238182804 573912407 /nfs/dbraw/zinc/91/24/07/573912407.db2.gz RSYDURYKFRWTHU-GXSJLCMTSA-N 0 0 182.263 2.217 10 30 AEEERN C=C1C=CC[C@](C)(C(C)=O)C1 238182691 573912441 /nfs/dbraw/zinc/91/24/41/573912441.db2.gz XSKUVVSPMXQPIB-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@@]1(O)CCCSCC1 642823501 573912458 /nfs/dbraw/zinc/91/24/58/573912458.db2.gz ICSXGASVUGNSLO-SECBINFHSA-N 0 0 172.293 2.211 10 30 AEEERN CCSCCC[C@@]1(C#N)CCOC1 131652091 573912527 /nfs/dbraw/zinc/91/25/27/573912527.db2.gz HYCZVSUMLSRQSH-JTQLQIEISA-N 0 0 199.319 2.450 10 30 AEEERN N#Cc1cc2cc(Cl)ncc2o1 38996086 573912546 /nfs/dbraw/zinc/91/25/46/573912546.db2.gz LZANSYPVZUTKCP-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN CCSCC[C@@](C)(C#N)C(C)=O 131661603 573912588 /nfs/dbraw/zinc/91/25/88/573912588.db2.gz SLQOEVRYPSMGLV-VIFPVBQESA-N 0 0 185.292 2.248 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@@](C)(CC)OC 715057520 573912650 /nfs/dbraw/zinc/91/26/50/573912650.db2.gz HJDZMFBJULPJNI-GARJFASQSA-N 0 0 186.295 2.375 10 30 AEEERN CCCc1ccnc([C@@H](C#N)CC)n1 259004218 573912656 /nfs/dbraw/zinc/91/26/56/573912656.db2.gz DNBGAFHKHRBFCJ-SECBINFHSA-N 0 0 189.262 2.446 10 30 AEEERN C=C(CC)C[C@H](NC)C(F)(F)F 131645622 573912661 /nfs/dbraw/zinc/91/26/61/573912661.db2.gz RNRFYNUVILSWGV-ZETCQYMHSA-N 0 0 181.201 2.493 10 30 AEEERN OCC/N=C\c1cccc2ccccc12 308780130 573912676 /nfs/dbraw/zinc/91/26/76/573912676.db2.gz CMLXBIFLKLHORB-UVTDQMKNSA-N 0 0 199.253 2.251 10 30 AEEERN CC1(C)O[C@@H]1Cc1ccccc1O 238184347 573915931 /nfs/dbraw/zinc/91/59/31/573915931.db2.gz WLAXREFZZRBFRC-SNVBAGLBSA-N 0 0 178.231 2.112 10 30 AEEERN C=C(CC)[C@H](O)C1=CCCCO1 238184698 573915961 /nfs/dbraw/zinc/91/59/61/573915961.db2.gz SBIQAYHEEXLNDS-JTQLQIEISA-N 0 0 168.236 2.008 10 30 AEEERN CCSCC[C@]1(C#N)CCOC1 131653180 573916091 /nfs/dbraw/zinc/91/60/91/573916091.db2.gz OULUEJGJTJSAAS-VIFPVBQESA-N 0 0 185.292 2.060 10 30 AEEERN CCSCCC[C@]1(C#N)CCOC1 131651878 573916146 /nfs/dbraw/zinc/91/61/46/573916146.db2.gz HYCZVSUMLSRQSH-SNVBAGLBSA-N 0 0 199.319 2.450 10 30 AEEERN CC[C@@H](C#N)OCCC(F)(F)F 131652630 573916175 /nfs/dbraw/zinc/91/61/75/573916175.db2.gz HJMIGXNGPDBWOU-LURJTMIESA-N 0 0 181.157 2.258 10 30 AEEERN C[C@H]1C[C@H](OC[C@@H]2CO2)CC[C@H]1C 84836983 573916053 /nfs/dbraw/zinc/91/60/53/573916053.db2.gz NPRHKOXHAKIGOY-LMLFDSFASA-N 0 0 184.279 2.227 10 30 AEEERN CC(C)[C@@H]1C[C@@]1(C)C#N 259004984 573916138 /nfs/dbraw/zinc/91/61/38/573916138.db2.gz NHWFCSXDRRNBHT-YUMQZZPRSA-N 0 0 123.199 2.192 10 30 AEEERN CSCCC[C@]1(C#N)CCCC1=O 131659469 573916293 /nfs/dbraw/zinc/91/62/93/573916293.db2.gz XFXWLKSOZQCCDG-JTQLQIEISA-N 0 0 197.303 2.393 10 30 AEEERN O[C@@H](CS)c1ccc2c(c1)CCC2 259237402 573916325 /nfs/dbraw/zinc/91/63/25/573916325.db2.gz OYYTXWWHTRPGDP-NSHDSACASA-N 0 0 194.299 2.139 10 30 AEEERN C=C(C(C)C)[C@@H](O)C1=CCCCO1 238184266 573916349 /nfs/dbraw/zinc/91/63/49/573916349.db2.gz ZDXNOQUTEFSWQP-LLVKDONJSA-N 0 0 182.263 2.254 10 30 AEEERN C#CC(=O)C=C(C(C)C)C(C)C 238185178 573917348 /nfs/dbraw/zinc/91/73/48/573917348.db2.gz AXLORTZXJZDTTC-UHFFFAOYSA-N 0 0 164.248 2.427 10 30 AEEERN C=C(CC)[C@H](O)C=C(C)C 238184738 573917393 /nfs/dbraw/zinc/91/73/93/573917393.db2.gz HQKBFXWVAHTOCO-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)C1(C)CC1 715059265 573917517 /nfs/dbraw/zinc/91/75/17/573917517.db2.gz ZXDDEWUZIXEYPB-RKDXNWHRSA-N 0 0 154.253 2.360 10 30 AEEERN N#CC[C@H]1CNc2cc(F)ccc2C1 84768381 573917609 /nfs/dbraw/zinc/91/76/09/573917609.db2.gz VCMXRKAQUXCFFK-MRVPVSSYSA-N 0 0 190.221 2.324 10 30 AEEERN N#Cc1nc(C2CCC2)cs1 259237657 573917727 /nfs/dbraw/zinc/91/77/27/573917727.db2.gz MZDXBVFDMIUKTO-UHFFFAOYSA-N 0 0 164.233 2.282 10 30 AEEERN CC1=C[C@](C)(c2ccccc2)C1=O 238185033 573917774 /nfs/dbraw/zinc/91/77/74/573917774.db2.gz XFYNXSASPYIZRY-GFCCVEGCSA-N 0 0 172.227 2.473 10 30 AEEERN CC1=CC(=O)[C@@H](C)[C@@H]1C(C)C 238185547 573917797 /nfs/dbraw/zinc/91/77/97/573917797.db2.gz UKVOHBJJWNYKLT-PSASIEDQSA-N 0 0 152.237 2.424 10 30 AEEERN COCCON=Cc1ccc(C)s1 308462755 573917810 /nfs/dbraw/zinc/91/78/10/573917810.db2.gz ICIJDOGMOFLTDN-UHFFFAOYSA-N 0 0 199.275 2.053 10 30 AEEERN C#C[C@H](O)C=C(C(C)C)C(C)C 238185363 573917826 /nfs/dbraw/zinc/91/78/26/573917826.db2.gz RMFLXKNURFDYCK-JTQLQIEISA-N 0 0 166.264 2.219 10 30 AEEERN C=C(CC)[C@H](O)c1ccncc1 238184927 573917928 /nfs/dbraw/zinc/91/79/28/573917928.db2.gz RDWJMPJXTWIICG-JTQLQIEISA-N 0 0 163.220 2.081 10 30 AEEERN C=C(Br)C(=O)C(C)C 238186527 573919329 /nfs/dbraw/zinc/91/93/29/573919329.db2.gz BNGHYZYWLMQVFR-UHFFFAOYSA-N 0 0 177.041 2.120 10 30 AEEERN N#Cc1nccn1C[C@H]1CC=CCC1 402155396 573919457 /nfs/dbraw/zinc/91/94/57/573919457.db2.gz POCAVLNPJIUYCA-JTQLQIEISA-N 0 0 187.246 2.111 10 30 AEEERN N#CCc1ccc2c(c1O)CCCC2 258182009 573920097 /nfs/dbraw/zinc/92/00/97/573920097.db2.gz WSIDEWRNJCNGPV-UHFFFAOYSA-N 0 0 187.242 2.337 10 30 AEEERN CCC(CC)[C@@H](O)C#CC(F)(F)F 238186518 573919480 /nfs/dbraw/zinc/91/94/80/573919480.db2.gz CSWKAUCNNJYSNX-QMMMGPOBSA-N 0 0 194.196 2.349 10 30 AEEERN C=C1C[C@@]2(C(C)=O)C=CC=C[C@H]12 238185961 573919542 /nfs/dbraw/zinc/91/95/42/573919542.db2.gz DRAUZKAIQDORPQ-GHMZBOCLSA-N 0 0 160.216 2.264 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2C#N 103212440 573919600 /nfs/dbraw/zinc/91/96/00/573919600.db2.gz OARQTPOKKFBNSD-RNSXUZJQSA-N 0 0 177.247 2.151 10 30 AEEERN Cc1ccc(-n2ccc(C#N)n2)cc1C 259004830 573919733 /nfs/dbraw/zinc/91/97/33/573919733.db2.gz HEDVTMZEAFYOJZ-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CC1(C)OCCC[C@@H]1CCC#N 259582229 573919845 /nfs/dbraw/zinc/91/98/45/573919845.db2.gz KIYIWJQDDFAWHA-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN CN[C@@H](CC#N)c1ccc(F)c(F)c1 259582387 573919858 /nfs/dbraw/zinc/91/98/58/573919858.db2.gz XHMUOOHJKDMDSO-JTQLQIEISA-N 0 0 196.200 2.139 10 30 AEEERN CO[C@H](C=O)Cc1ccc(Cl)cc1 257899844 573919882 /nfs/dbraw/zinc/91/98/82/573919882.db2.gz VQVRSHTULUMBSX-JTQLQIEISA-N 0 0 198.649 2.096 10 30 AEEERN CC(C)S[C@@H](C=O)C(C)C 238186497 573919919 /nfs/dbraw/zinc/91/99/19/573919919.db2.gz VMWDQWQPWVXLIR-QMMMGPOBSA-N 0 0 160.282 2.352 10 30 AEEERN CCN[C@@H](CC#N)c1cccs1 259582572 573919963 /nfs/dbraw/zinc/91/99/63/573919963.db2.gz XONVCHPOYZTXGP-QMMMGPOBSA-N 0 0 180.276 2.312 10 30 AEEERN CC(C)(CS)C1CCOCC1 259238947 573920050 /nfs/dbraw/zinc/92/00/50/573920050.db2.gz MURADWUNZJMJHP-UHFFFAOYSA-N 0 0 174.309 2.369 10 30 AEEERN CCC(=C/Cl)/C=N/N(C)C 238186789 573920064 /nfs/dbraw/zinc/92/00/64/573920064.db2.gz MHKSLPLOPCPFBV-XCZNYUDNSA-N 0 0 160.648 2.067 10 30 AEEERN C=C1C[C@H]2CCC[C@@]12C(C)=O 238186845 573921222 /nfs/dbraw/zinc/92/12/22/573921222.db2.gz DLIXSJYBNHGMEV-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN CCN[C@H](CC#N)c1cccs1 259582571 573921331 /nfs/dbraw/zinc/92/13/31/573921331.db2.gz XONVCHPOYZTXGP-MRVPVSSYSA-N 0 0 180.276 2.312 10 30 AEEERN Cc1ccc([C@](C)(F)C=O)s1 257900246 573921370 /nfs/dbraw/zinc/92/13/70/573921370.db2.gz OTRKSFRUIYQWBI-MRVPVSSYSA-N 0 0 172.224 2.440 10 30 AEEERN Cc1ccc(N(C)CCCC#N)o1 259008961 573921461 /nfs/dbraw/zinc/92/14/61/573921461.db2.gz ZZBRJQFVNIFIQJ-UHFFFAOYSA-N 0 0 178.235 2.328 10 30 AEEERN CC1=C(C(=O)C#N)CCC1(C)C 238187043 573921544 /nfs/dbraw/zinc/92/15/44/573921544.db2.gz RXIAJKYQOSMFMY-UHFFFAOYSA-N 0 0 163.220 2.216 10 30 AEEERN CC(C)OC1=CC(=O)C2=CC[C@H]1C2 238186121 573921655 /nfs/dbraw/zinc/92/16/55/573921655.db2.gz VEFLXZNACDLQMV-IUCAKERBSA-N 0 0 178.231 2.070 10 30 AEEERN C#CC[C@@H](O)c1cn(C)c2ccccc12 238548098 573921676 /nfs/dbraw/zinc/92/16/76/573921676.db2.gz DNUXBDHCOQNRDR-CYBMUJFWSA-N 0 0 199.253 2.235 10 30 AEEERN C[C@@H](C#N)N[C@@H]1C[C@@H]1c1ccccc1 44676629 573921829 /nfs/dbraw/zinc/92/18/29/573921829.db2.gz DDDYOAXDNRQGCX-MVWJERBFSA-N 0 0 186.258 2.044 10 30 AEEERN CC1=C(OC(C)C)C(=O)CC1 238186062 573921731 /nfs/dbraw/zinc/92/17/31/573921731.db2.gz UUOPVQKMFWKNMJ-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN CCC1([C@H]2OCC[C@@H]2C#N)CCC1 686132115 573923443 /nfs/dbraw/zinc/92/34/43/573923443.db2.gz YBGPOOFLDADPPJ-ZJUUUORDSA-N 0 0 179.263 2.495 10 30 AEEERN CC[C@H](C#N)CN(C)c1ccc[nH]1 259012527 573922955 /nfs/dbraw/zinc/92/29/55/573922955.db2.gz OWDNXBJQFZCTBY-SECBINFHSA-N 0 0 177.251 2.001 10 30 AEEERN CCC(=O)C#CCc1ccccc1 238188212 573923069 /nfs/dbraw/zinc/92/30/69/573923069.db2.gz HSHCTRVYBCFEGV-UHFFFAOYSA-N 0 0 172.227 2.212 10 30 AEEERN C=CCC[C@@H]1CC(=O)C(C)(C)O1 238188198 573923177 /nfs/dbraw/zinc/92/31/77/573923177.db2.gz WDXKUOCWPJJJES-MRVPVSSYSA-N 0 0 168.236 2.089 10 30 AEEERN C=C[C@H](NN)c1ccc(C)cc1Cl 235803873 573923183 /nfs/dbraw/zinc/92/31/83/573923183.db2.gz QVUNZYYIXSVGKC-JTQLQIEISA-N 0 0 196.681 2.339 10 30 AEEERN CC[C@@H](C#N)[C@H](O)C1(C)CCC1 686132132 573923184 /nfs/dbraw/zinc/92/31/84/573923184.db2.gz YGQBHGZZYPVXJB-IUCAKERBSA-N 0 0 167.252 2.087 10 30 AEEERN C=CCCC(=C)C(=O)CC 238188463 573923187 /nfs/dbraw/zinc/92/31/87/573923187.db2.gz QGGDPVIQPMXHNS-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN CCc1nc(C)c(CCS)s1 259240539 573925822 /nfs/dbraw/zinc/92/58/22/573925822.db2.gz JSDSAEGAQKUSQB-UHFFFAOYSA-N 0 0 187.333 2.486 10 30 AEEERN C=CC[C@@H](C)SC[C@H](C)CO 715059201 573924301 /nfs/dbraw/zinc/92/43/01/573924301.db2.gz YYGTYGCTSREGGR-RKDXNWHRSA-N 0 0 174.309 2.313 10 30 AEEERN C=CC(F)(F)C(=O)C(C)C 238187476 573924351 /nfs/dbraw/zinc/92/43/51/573924351.db2.gz VVBCQWVYNMEFRY-UHFFFAOYSA-N 0 0 148.152 2.033 10 30 AEEERN CN(C)[C@@H](C#N)CC1CCCCC1 87473825 573926306 /nfs/dbraw/zinc/92/63/06/573926306.db2.gz OSFROZSRVSWJOT-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1ccc(CN(C)[C@@H](C)C#N)s1 306804940 573924573 /nfs/dbraw/zinc/92/45/73/573924573.db2.gz ZBSVWCPAOROHQD-QMMMGPOBSA-N 0 0 194.303 2.400 10 30 AEEERN N#Cc1ccccc1C1CCOCC1 258181662 573924903 /nfs/dbraw/zinc/92/49/03/573924903.db2.gz WOFKJPHAQMEHOA-UHFFFAOYSA-N 0 0 187.242 2.452 10 30 AEEERN CC(C)(O)[C@H](C=O)C1CCCCC1 238188642 573924908 /nfs/dbraw/zinc/92/49/08/573924908.db2.gz QUYKHEHIMORTRG-SNVBAGLBSA-N 0 0 184.279 2.153 10 30 AEEERN CC1([C@@H]2OCC[C@@H]2C#N)CCC1 686132151 573924941 /nfs/dbraw/zinc/92/49/41/573924941.db2.gz YJSAWLIFHKVNIW-RKDXNWHRSA-N 0 0 165.236 2.105 10 30 AEEERN Cc1ccc2c(c1)CC[C@@H](C#N)N2 259583270 573925017 /nfs/dbraw/zinc/92/50/17/573925017.db2.gz FMYVVXNYSIRBQQ-JTQLQIEISA-N 0 0 172.231 2.245 10 30 AEEERN CC1([C@H]2OCC[C@@H]2C#N)CCC1 686132138 573926323 /nfs/dbraw/zinc/92/63/23/573926323.db2.gz YJSAWLIFHKVNIW-BDAKNGLRSA-N 0 0 165.236 2.105 10 30 AEEERN CCC(C)(C)O/N=C/Cl 238188493 573925162 /nfs/dbraw/zinc/92/51/62/573925162.db2.gz QLFGPRUXOOBVCF-VMPITWQZSA-N 0 0 149.621 2.374 10 30 AEEERN CC(C)[C@H]1CCC2=C(CCCC2=O)N1 238188537 573925188 /nfs/dbraw/zinc/92/51/88/573925188.db2.gz AAKBFEATJYGKES-SNVBAGLBSA-N 0 0 193.290 2.402 10 30 AEEERN Cc1ccc([C@@](C)(F)C=O)s1 257900251 573925264 /nfs/dbraw/zinc/92/52/64/573925264.db2.gz OTRKSFRUIYQWBI-QMMMGPOBSA-N 0 0 172.224 2.440 10 30 AEEERN O=C[C@H]1COc2ccc(Cl)cc21 257900509 573925282 /nfs/dbraw/zinc/92/52/82/573925282.db2.gz ANSTWBGZNPLCQG-LURJTMIESA-N 0 0 182.606 2.015 10 30 AEEERN N#Cc1cc(CC2CCCC2)[nH]n1 259586677 573925366 /nfs/dbraw/zinc/92/53/66/573925366.db2.gz ZMLOBIVAJUSNAR-UHFFFAOYSA-N 0 0 175.235 2.014 10 30 AEEERN CC[C@@H](C#N)CN(C)c1ccc[nH]1 259012529 573925393 /nfs/dbraw/zinc/92/53/93/573925393.db2.gz OWDNXBJQFZCTBY-VIFPVBQESA-N 0 0 177.251 2.001 10 30 AEEERN CO[C@@H](C#N)CC1CCCCC1 87474563 573925559 /nfs/dbraw/zinc/92/55/59/573925559.db2.gz XXNHGXRENDTIFZ-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H](C#N)[C@@H](O)C1(C)CCC1 686132135 573925585 /nfs/dbraw/zinc/92/55/85/573925585.db2.gz YGQBHGZZYPVXJB-RKDXNWHRSA-N 0 0 167.252 2.087 10 30 AEEERN CC1=C(C)C[C@H](C=O)SC1 238198430 573925634 /nfs/dbraw/zinc/92/56/34/573925634.db2.gz AKWRCJIUKJYQEC-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN C=CCN(C)c1ccc(F)cc1C=O 131736110 573925658 /nfs/dbraw/zinc/92/56/58/573925658.db2.gz HJVQDOHTLBNMLV-UHFFFAOYSA-N 0 0 193.221 2.260 10 30 AEEERN C=C(CO)SC(C)(C)CC 238188816 573925677 /nfs/dbraw/zinc/92/56/77/573925677.db2.gz OYZDTLRXQRVBRG-UHFFFAOYSA-N 0 0 160.282 2.414 10 30 AEEERN N#CC[C@H](O)CC1CCCCC1 87474681 573925693 /nfs/dbraw/zinc/92/56/93/573925693.db2.gz LTGOKZJRCIACCW-JTQLQIEISA-N 0 0 167.252 2.231 10 30 AEEERN C=CCN(C)c1ccc(C=O)cc1F 131735155 573925698 /nfs/dbraw/zinc/92/56/98/573925698.db2.gz GJGOTORFSBQMLX-UHFFFAOYSA-N 0 0 193.221 2.260 10 30 AEEERN Cc1cc(C(C)C)nc(CS)n1 259240491 573925865 /nfs/dbraw/zinc/92/58/65/573925865.db2.gz ZOAXONZFQXBZCX-UHFFFAOYSA-N 0 0 182.292 2.338 10 30 AEEERN CCC(=O)C#C[Si](C)(C)CC 238188286 573926048 /nfs/dbraw/zinc/92/60/48/573926048.db2.gz SCLVCYZGYBTNND-UHFFFAOYSA-N 0 0 168.312 2.236 10 30 AEEERN C#CCSc1ccoc1C 235810342 573926102 /nfs/dbraw/zinc/92/61/02/573926102.db2.gz ISEJGJFJNSVEAR-UHFFFAOYSA-N 0 0 152.218 2.313 10 30 AEEERN CC(C)c1nnc(N=[N+]=[N-])o1 238188965 573926115 /nfs/dbraw/zinc/92/61/15/573926115.db2.gz VNBZJRWXADRRKK-UHFFFAOYSA-N 0 0 153.145 2.135 10 30 AEEERN C=C(C)C(=C)C(=O)CC 238188440 573926208 /nfs/dbraw/zinc/92/62/08/573926208.db2.gz LUSSHOMEUPUZNF-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCN(C)c1ccc(CO)c(C)c1 131777246 573926391 /nfs/dbraw/zinc/92/63/91/573926391.db2.gz NDCILADMTQHLMZ-UHFFFAOYSA-N 0 0 191.274 2.110 10 30 AEEERN C[C@H](C#N)[C@@H](O)CC1CCCCC1 87474697 573926301 /nfs/dbraw/zinc/92/63/01/573926301.db2.gz RFRJAUOKGOZKLV-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN N#CCNCC1CCCCCC1 223577428 573926273 /nfs/dbraw/zinc/92/62/73/573926273.db2.gz SRGLCTUPKZVAQH-UHFFFAOYSA-N 0 0 166.268 2.070 10 30 AEEERN CCCN[C@]1(C#N)CCC[C@@H]1C 84902102 573928475 /nfs/dbraw/zinc/92/84/75/573928475.db2.gz DBCMTAOHIZRKAT-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN Cc1c[nH]c2nc(C#N)cc-2c1C 259240557 573928499 /nfs/dbraw/zinc/92/84/99/573928499.db2.gz CZBHJDCCJMVTGR-UHFFFAOYSA-N 0 0 171.203 2.051 10 30 AEEERN CC[C@H](C#N)[C@H](O)C1(C)CCC1 686132118 573927303 /nfs/dbraw/zinc/92/73/03/573927303.db2.gz YGQBHGZZYPVXJB-BDAKNGLRSA-N 0 0 167.252 2.087 10 30 AEEERN CN(C)[C@H](C#N)CC1CCCCC1 87473824 573927423 /nfs/dbraw/zinc/92/74/23/573927423.db2.gz OSFROZSRVSWJOT-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN C=CC(C)(C=C)CCCO 238201007 573927443 /nfs/dbraw/zinc/92/74/43/573927443.db2.gz YGXDIARTZPKNIT-UHFFFAOYSA-N 0 0 140.226 2.137 10 30 AEEERN C[C@H]1CCC[C@@]1(Cl)C#N 84902422 573927583 /nfs/dbraw/zinc/92/75/83/573927583.db2.gz AOMHVQVWBUWXDX-NKWVEPMBSA-N 0 0 143.617 2.308 10 30 AEEERN CCC1([C@@H]2OCC[C@H]2C#N)CCC1 686132109 573927598 /nfs/dbraw/zinc/92/75/98/573927598.db2.gz YBGPOOFLDADPPJ-VHSXEESVSA-N 0 0 179.263 2.495 10 30 AEEERN CC[C@@H](C)ON=C1CCOC1(C)C 393572451 573927604 /nfs/dbraw/zinc/92/76/04/573927604.db2.gz TVVPVCDTRNPIPY-MRVPVSSYSA-N 0 0 185.267 2.356 10 30 AEEERN C=C[C@H](CCCO)Oc1ccccc1 308464933 573927654 /nfs/dbraw/zinc/92/76/54/573927654.db2.gz GEYMLTNFURYGPJ-LLVKDONJSA-N 0 0 192.258 2.393 10 30 AEEERN CC1(C)CC(=C2CCC2)C1=O 238198607 573927656 /nfs/dbraw/zinc/92/76/56/573927656.db2.gz SSGYLWALMHPDLA-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN CN[C@H](C#N)CC1CCCCC1 87473572 573927678 /nfs/dbraw/zinc/92/76/78/573927678.db2.gz OOISKVHYHLJZDO-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H](C#N)[C@H](O)CC1CCCCC1 87474694 573927783 /nfs/dbraw/zinc/92/77/83/573927783.db2.gz RFRJAUOKGOZKLV-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)[C@H](C)OCCCS 87471262 573927796 /nfs/dbraw/zinc/92/77/96/573927796.db2.gz MDKNEHUFLJHTBX-QMMMGPOBSA-N 0 0 162.298 2.367 10 30 AEEERN N#CC[C@@H](O)CC1CCCCC1 87474680 573927800 /nfs/dbraw/zinc/92/78/00/573927800.db2.gz LTGOKZJRCIACCW-SNVBAGLBSA-N 0 0 167.252 2.231 10 30 AEEERN CC(C)[C@@H](C)OCCCS 87471261 573927864 /nfs/dbraw/zinc/92/78/64/573927864.db2.gz MDKNEHUFLJHTBX-MRVPVSSYSA-N 0 0 162.298 2.367 10 30 AEEERN N#CNc1cc(C#N)ccc1Cl 87476313 573927869 /nfs/dbraw/zinc/92/78/69/573927869.db2.gz UBPXHCCTZKGDJE-UHFFFAOYSA-N 0 0 177.594 2.105 10 30 AEEERN CC(C)(S)c1cc[nH]c1 259241954 573927918 /nfs/dbraw/zinc/92/79/18/573927918.db2.gz NCKZCXYYTCVQDO-UHFFFAOYSA-N 0 0 141.239 2.180 10 30 AEEERN C#CCON=CC(C)(C)CC 393598136 573927926 /nfs/dbraw/zinc/92/79/26/573927926.db2.gz MATLNUUFVDTTMA-UHFFFAOYSA-N 0 0 153.225 2.058 10 30 AEEERN N#CCNc1cc(C#N)ccc1Cl 87476245 573927942 /nfs/dbraw/zinc/92/79/42/573927942.db2.gz IDDMYKWUCWRPMU-UHFFFAOYSA-N 0 0 191.621 2.147 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)C1(C)CCC1 686132129 573927958 /nfs/dbraw/zinc/92/79/58/573927958.db2.gz YGQBHGZZYPVXJB-DTWKUNHWSA-N 0 0 167.252 2.087 10 30 AEEERN C=C1C(=O)CCCC1(C)C 238199396 573927977 /nfs/dbraw/zinc/92/79/77/573927977.db2.gz GIAWPLIWYZKENO-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN N#Cc1nccc(-c2ccccc2F)n1 259011603 573928290 /nfs/dbraw/zinc/92/82/90/573928290.db2.gz FEMITBHOYLOCKQ-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C[C@@H](C#N)[C@H](O)CC1CCCCC1 87474691 573928298 /nfs/dbraw/zinc/92/82/98/573928298.db2.gz RFRJAUOKGOZKLV-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN CC1([C@@H]2OCC[C@H]2C#N)CCC1 686132146 573928362 /nfs/dbraw/zinc/92/83/62/573928362.db2.gz YJSAWLIFHKVNIW-DTWKUNHWSA-N 0 0 165.236 2.105 10 30 AEEERN N#CC1(c2coc3ccccc23)COC1 259241862 573928418 /nfs/dbraw/zinc/92/84/18/573928418.db2.gz MZZDOCPDIOAVEQ-UHFFFAOYSA-N 0 0 199.209 2.224 10 30 AEEERN C=CCN(C)c1ccccc1C=O 131735604 573928529 /nfs/dbraw/zinc/92/85/29/573928529.db2.gz SCSKMDRSUHPVDA-UHFFFAOYSA-N 0 0 175.231 2.121 10 30 AEEERN CCC[C@H](C#N)c1cc[nH]c1 259014338 573928838 /nfs/dbraw/zinc/92/88/38/573928838.db2.gz CLWWLPDMYCLHQS-MRVPVSSYSA-N 0 0 148.209 2.422 10 30 AEEERN CC1=C(C)C[C@@H]2C(O)=CC(=O)[C@H]2C1 238198987 573928935 /nfs/dbraw/zinc/92/89/35/573928935.db2.gz TTXSMFUHJLXVOC-IUCAKERBSA-N 0 0 178.231 2.374 10 30 AEEERN Cc1cc(NC(C)C)nc(C)c1C#N 306825097 573928969 /nfs/dbraw/zinc/92/89/69/573928969.db2.gz XETVTFHIKGATHU-UHFFFAOYSA-N 0 0 189.262 2.390 10 30 AEEERN N#Cc1c(N)sc2c(O)cccc12 306821970 573929003 /nfs/dbraw/zinc/92/90/03/573929003.db2.gz PXVDLSIOXUUHTE-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC[C@@H](C)n1c(C#N)cnc1C 259240332 573929026 /nfs/dbraw/zinc/92/90/26/573929026.db2.gz CVUUPTIHTACABS-SSDOTTSWSA-N 0 0 163.224 2.034 10 30 AEEERN Cc1c2c(n(C)c1C#N)CCCC2 259585441 573929189 /nfs/dbraw/zinc/92/91/89/573929189.db2.gz FQUCDVXXWAEGOB-UHFFFAOYSA-N 0 0 174.247 2.084 10 30 AEEERN N#Cc1csc2c(F)ccc(N)c12 306819870 573929269 /nfs/dbraw/zinc/92/92/69/573929269.db2.gz LUYPAHHYJRSCSF-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC(CC=O)=C1C=CC=C1 238200390 573929347 /nfs/dbraw/zinc/92/93/47/573929347.db2.gz NSHUFLXNPHOEQS-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN CO[C@H](C#N)CC1CCCCC1 87474561 573929386 /nfs/dbraw/zinc/92/93/86/573929386.db2.gz XXNHGXRENDTIFZ-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN C=C1CC(C)(C)c2cc[nH]c2C1=O 238198543 573929398 /nfs/dbraw/zinc/92/93/98/573929398.db2.gz RYNPNKABXFHLHT-UHFFFAOYSA-N 0 0 175.231 2.435 10 30 AEEERN CC1(C)C2=C(CCCC2)[C@@H](O)[C@@H]1C#N 238198522 573929418 /nfs/dbraw/zinc/92/94/18/573929418.db2.gz LMHMSTVLZCBRRQ-WDEREUQCSA-N 0 0 191.274 2.397 10 30 AEEERN C=CC[C@H](O)C(=O)c1ccc(C)cc1 238551800 573929532 /nfs/dbraw/zinc/92/95/32/573929532.db2.gz VNSPUBXHMJCGTQ-NSHDSACASA-N 0 0 190.242 2.115 10 30 AEEERN C=C[C@@H](CCCO)Oc1ccccc1 308464934 573929749 /nfs/dbraw/zinc/92/97/49/573929749.db2.gz GEYMLTNFURYGPJ-NSHDSACASA-N 0 0 192.258 2.393 10 30 AEEERN Cc1ccc(C)c([C@H](O)CS)c1 259016153 573930915 /nfs/dbraw/zinc/93/09/15/573930915.db2.gz AECCAUADTQCHJF-SNVBAGLBSA-N 0 0 182.288 2.267 10 30 AEEERN CCCCN(C)C(=O)[C@@H](C#N)C(C)C 44810284 573931702 /nfs/dbraw/zinc/93/17/02/573931702.db2.gz GFYLTYZDVWRHDJ-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)C[C@@H](C)N(C)C(=O)[C@@H](C)C#N 44826685 573930716 /nfs/dbraw/zinc/93/07/16/573930716.db2.gz JSEOVBXSKYVPBD-VHSXEESVSA-N 0 0 196.294 2.039 10 30 AEEERN C=C(C)COCc1ccccc1CO 211767968 573930726 /nfs/dbraw/zinc/93/07/26/573930726.db2.gz GUXASVMQZYOLJQ-UHFFFAOYSA-N 0 0 192.258 2.272 10 30 AEEERN Cc1nccc(C(F)F)c1C#N 150285945 573930775 /nfs/dbraw/zinc/93/07/75/573930775.db2.gz RWIPHGLRQGCHLW-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CC[C@@H](C)N(C)C(=O)[C@H](C#N)C(C)C 44815091 573930865 /nfs/dbraw/zinc/93/08/65/573930865.db2.gz SXTOIZRXIDSUQV-NXEZZACHSA-N 0 0 196.294 2.039 10 30 AEEERN N#Cc1cc(OCF)c(F)cc1F 306825699 573930868 /nfs/dbraw/zinc/93/08/68/573930868.db2.gz YGJKRHSWWOTJAY-UHFFFAOYSA-N 0 0 187.120 2.142 10 30 AEEERN CC1(C)O[C@@H]1C1CCCC1 259242520 573930956 /nfs/dbraw/zinc/93/09/56/573930956.db2.gz KHUDDPBUAQMVDL-MRVPVSSYSA-N 0 0 140.226 2.354 10 30 AEEERN CCC(CC)NC(=O)[C@H](C#N)C(C)C 44808825 573930986 /nfs/dbraw/zinc/93/09/86/573930986.db2.gz AIIQKCLHWRJDBD-SNVBAGLBSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@H](C)NC(C#N)(C1CC1)C1CC1 308470929 573931013 /nfs/dbraw/zinc/93/10/13/573931013.db2.gz JDZVQVKQUCWCLT-SECBINFHSA-N 0 0 192.306 2.457 10 30 AEEERN CC(C)CCC[C@H](C)NCC#N 42237651 573931068 /nfs/dbraw/zinc/93/10/68/573931068.db2.gz NCJHGTUPINEQAF-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN C=CCN(C)c1ccc(C=O)c(C)c1 131737467 573931797 /nfs/dbraw/zinc/93/17/97/573931797.db2.gz WCTLLOOKMCFRLE-UHFFFAOYSA-N 0 0 189.258 2.430 10 30 AEEERN CSc1cccc2[nH]c(C#N)nc12 306813275 573931279 /nfs/dbraw/zinc/93/12/79/573931279.db2.gz AEXGZRBCPJJLJI-UHFFFAOYSA-N 0 0 189.243 2.156 10 30 AEEERN CCCCN(C)C(=O)[C@H](C#N)CCC 44810280 573931370 /nfs/dbraw/zinc/93/13/70/573931370.db2.gz HIMGPJGVVZRDNA-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN CCC(CC)N(C)C(=O)[C@@H](C#N)CC 44823302 573931386 /nfs/dbraw/zinc/93/13/86/573931386.db2.gz MLQCWSDONXTLSG-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@@H](C#N)c1cc[nH]c1 259014339 573931425 /nfs/dbraw/zinc/93/14/25/573931425.db2.gz CLWWLPDMYCLHQS-QMMMGPOBSA-N 0 0 148.209 2.422 10 30 AEEERN CCCCN(C)C(=O)[C@H](C#N)C(C)C 44810286 573931466 /nfs/dbraw/zinc/93/14/66/573931466.db2.gz GFYLTYZDVWRHDJ-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN Cc1ccc(C)c([C@@H](O)CS)c1 259016148 573931480 /nfs/dbraw/zinc/93/14/80/573931480.db2.gz AECCAUADTQCHJF-JTQLQIEISA-N 0 0 182.288 2.267 10 30 AEEERN CC[C@H](C)NC(C#N)(C1CC1)C1CC1 308470930 573931503 /nfs/dbraw/zinc/93/15/03/573931503.db2.gz JDZVQVKQUCWCLT-VIFPVBQESA-N 0 0 192.306 2.457 10 30 AEEERN CC(C)CCC[C@@H](C)NCC#N 42237650 573931575 /nfs/dbraw/zinc/93/15/75/573931575.db2.gz NCJHGTUPINEQAF-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN CCCCN(C)C(=O)[C@@H](C#N)CCC 44810282 573931608 /nfs/dbraw/zinc/93/16/08/573931608.db2.gz HIMGPJGVVZRDNA-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CC1(C)O[C@H]1C1CCCC1 259242523 573931655 /nfs/dbraw/zinc/93/16/55/573931655.db2.gz KHUDDPBUAQMVDL-QMMMGPOBSA-N 0 0 140.226 2.354 10 30 AEEERN CCC(C)(C)NC(=O)[C@@H](C#N)C(C)C 44808652 573931723 /nfs/dbraw/zinc/93/17/23/573931723.db2.gz DZZWCDOLTFFJFN-VIFPVBQESA-N 0 0 196.294 2.087 10 30 AEEERN N#Cc1cccnc1SCCF 306192107 573932999 /nfs/dbraw/zinc/93/29/99/573932999.db2.gz RQTBLCAWJFPCQK-UHFFFAOYSA-N 0 0 182.223 2.015 10 30 AEEERN CC1(C)[C@H](C#N)C12CCC2 259586078 573932911 /nfs/dbraw/zinc/93/29/11/573932911.db2.gz KVUGUNFCNZIOQW-ZETCQYMHSA-N 0 0 135.210 2.336 10 30 AEEERN CCCCCN(C)C(=O)[C@H](C#N)CC 44815201 573932920 /nfs/dbraw/zinc/93/29/20/573932920.db2.gz CCVSMDLHTFBLIM-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN C=CCN(C(=O)OC(C)C)C1CC1 127623112 573932680 /nfs/dbraw/zinc/93/26/80/573932680.db2.gz XCLQFSRZXZLDMV-UHFFFAOYSA-N 0 0 183.251 2.182 10 30 AEEERN CO[C@H](C)Cc1ccccc1C#N 259584857 573932699 /nfs/dbraw/zinc/93/26/99/573932699.db2.gz XVLPFJAKEZZYMT-SECBINFHSA-N 0 0 175.231 2.136 10 30 AEEERN SC/C(Cl)=C\Cl 81143206 573932885 /nfs/dbraw/zinc/93/28/85/573932885.db2.gz MNESDHSRLZIGDP-HNQUOIGGSA-N 0 0 143.038 2.235 10 30 AEEERN CC1=C2C=CC=CN2C(C)(C)C1=O 238196474 573932902 /nfs/dbraw/zinc/93/29/02/573932902.db2.gz SCRJJZYCGDQEEQ-UHFFFAOYSA-N 0 0 175.231 2.007 10 30 AEEERN Cc1c(C=O)n(C)c2ccc(C#N)cc12 257905433 573934670 /nfs/dbraw/zinc/93/46/70/573934670.db2.gz WIWQRKBGAZWWOO-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN C=C(C)NC(=O)OCCCC 238217330 573934876 /nfs/dbraw/zinc/93/48/76/573934876.db2.gz AUUFCUKEOLDUGS-UHFFFAOYSA-N 0 0 157.213 2.046 10 30 AEEERN C=CCN(CCC)C(=O)NC(C)C 127616711 573934886 /nfs/dbraw/zinc/93/48/86/573934886.db2.gz GBROSRXELFBTID-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C[C@@]1(c2ccc3[nH]cnc3c2)C[C@@H]1C#N 259019407 573934902 /nfs/dbraw/zinc/93/49/02/573934902.db2.gz PLHIBAYCLSZLPG-SKDRFNHKSA-N 0 0 197.241 2.364 10 30 AEEERN O=C[C@@H](F)CC1CCCC1 258460427 573934935 /nfs/dbraw/zinc/93/49/35/573934935.db2.gz HBLWAMFIDRBYQP-QMMMGPOBSA-N 0 0 144.189 2.104 10 30 AEEERN Cc1nsc(SCCCC#N)n1 87514085 573935173 /nfs/dbraw/zinc/93/51/73/573935173.db2.gz HZHNXINAIUGDNA-UHFFFAOYSA-N 0 0 199.304 2.242 10 30 AEEERN C[C@H]1C[C@@H](C#N)c2ccccc2O1 259585311 573935204 /nfs/dbraw/zinc/93/52/04/573935204.db2.gz FNABDAPOKQQWDK-IUCAKERBSA-N 0 0 173.215 2.465 10 30 AEEERN CC1(C)C=CC(=O)[C@@H]2CC=C[C@@H]21 238197204 573935271 /nfs/dbraw/zinc/93/52/71/573935271.db2.gz JCJDZCIFIGNBOO-BDAKNGLRSA-N 0 0 162.232 2.344 10 30 AEEERN Cc1coc(SCCCS)n1 235817261 573935309 /nfs/dbraw/zinc/93/53/09/573935309.db2.gz UJPGYEXBCVVTGE-UHFFFAOYSA-N 0 0 189.305 2.395 10 30 AEEERN C[C@@H]1C[C@@H](C#N)c2ccccc2O1 259585308 573935473 /nfs/dbraw/zinc/93/54/73/573935473.db2.gz FNABDAPOKQQWDK-BDAKNGLRSA-N 0 0 173.215 2.465 10 30 AEEERN CC1(C)C=CC(=O)[C@H]2CC=C[C@H]21 238197363 573935494 /nfs/dbraw/zinc/93/54/94/573935494.db2.gz JCJDZCIFIGNBOO-DTWKUNHWSA-N 0 0 162.232 2.344 10 30 AEEERN CC1(C)C=CC(=O)c2cc(O)ccc21 238197469 573935515 /nfs/dbraw/zinc/93/55/15/573935515.db2.gz XVVPOJFTVRCXHZ-UHFFFAOYSA-N 0 0 188.226 2.422 10 30 AEEERN CCc1ccccc1[C@](C)(O)CC=O 308465758 573935523 /nfs/dbraw/zinc/93/55/23/573935523.db2.gz HATRYTKWPIWJRE-GFCCVEGCSA-N 0 0 192.258 2.046 10 30 AEEERN CC(C)(C)OC/C=C\CS 211648213 573935564 /nfs/dbraw/zinc/93/55/64/573935564.db2.gz ZSKIBRLYHHVQIZ-PLNGDYQASA-N 0 0 160.282 2.288 10 30 AEEERN C=CCN(CC=C)Cc1cnoc1C 585364384 573935571 /nfs/dbraw/zinc/93/55/71/573935571.db2.gz DSQIURWDFMEIHO-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN CC1CCCC(=O)C2=C1C=CC2=O 238196347 573935574 /nfs/dbraw/zinc/93/55/74/573935574.db2.gz JBJZVOAPVYLHPG-UHFFFAOYSA-N 0 0 176.215 2.438 10 30 AEEERN CCCc1c[nH]c(C2(C#N)CCC2)n1 259017063 573935675 /nfs/dbraw/zinc/93/56/75/573935675.db2.gz DVRRKPBRGQBWIL-UHFFFAOYSA-N 0 0 189.262 2.307 10 30 AEEERN CC1=C(C)C[C@H]2C(O)=CC(=O)[C@@H]2C1 238197381 573935690 /nfs/dbraw/zinc/93/56/90/573935690.db2.gz TTXSMFUHJLXVOC-RKDXNWHRSA-N 0 0 178.231 2.374 10 30 AEEERN C=C(C)C#CC(=O)C[C@@H]1C=CCC1 224757323 573935753 /nfs/dbraw/zinc/93/57/53/573935753.db2.gz DZFMHPNBFIDBNJ-LLVKDONJSA-N 0 0 174.243 2.491 10 30 AEEERN Cc1nsc(S[C@H](C)CC#N)n1 87514079 573935890 /nfs/dbraw/zinc/93/58/90/573935890.db2.gz FSLSIFBPSAHSQV-RXMQYKEDSA-N 0 0 199.304 2.241 10 30 AEEERN C=C(C#C[C@@H](O)C(C)C)C(F)(F)F 238207733 573936171 /nfs/dbraw/zinc/93/61/71/573936171.db2.gz CPQZDDIBSAYTGU-MRVPVSSYSA-N 0 0 192.180 2.125 10 30 AEEERN CC1(C)CCC(Cl)=CC1=O 238196669 573936256 /nfs/dbraw/zinc/93/62/56/573936256.db2.gz AOXCYEBBEMJASW-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN C/C=C/C#CC#C/C=C/C=C\[C@H](C)O 308466246 573936393 /nfs/dbraw/zinc/93/63/93/573936393.db2.gz MNGKCBHZJMYXRY-LLELTHIFSA-N 0 0 186.254 2.063 10 30 AEEERN C[C@]1(c2ccc3c(c2)CCO3)C[C@@H]1C#N 259018234 573938130 /nfs/dbraw/zinc/93/81/30/573938130.db2.gz PGTYOPRKJDCWFG-DGCLKSJQSA-N 0 0 199.253 2.423 10 30 AEEERN Cc1c(C#N)cc(-c2ccc[nH]2)n1C 259018431 573938154 /nfs/dbraw/zinc/93/81/54/573938154.db2.gz AJWFFWXIHVEVEO-UHFFFAOYSA-N 0 0 185.230 2.200 10 30 AEEERN Cc1cccc(-c2ccnc(C#N)n2)c1 259021475 573938160 /nfs/dbraw/zinc/93/81/60/573938160.db2.gz GGYTYJNKZODEFM-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1nsc(SC[C@H](C)C#N)n1 87514083 573938161 /nfs/dbraw/zinc/93/81/61/573938161.db2.gz DQWNWJHXQFFDPG-RXMQYKEDSA-N 0 0 199.304 2.098 10 30 AEEERN SCCc1nc(C2CCC2)c[nH]1 259020322 573938178 /nfs/dbraw/zinc/93/81/78/573938178.db2.gz FEJOBNFLISLFFG-UHFFFAOYSA-N 0 0 182.292 2.150 10 30 AEEERN CC(C)Cc1nn(C)c(Cl)c1C#N 87527078 573938180 /nfs/dbraw/zinc/93/81/80/573938180.db2.gz FWDFCOHUMHTNQC-UHFFFAOYSA-N 0 0 197.669 2.144 10 30 AEEERN Cc1nsc(SC[C@@H](C)C#N)n1 87514081 573938096 /nfs/dbraw/zinc/93/80/96/573938096.db2.gz DQWNWJHXQFFDPG-YFKPBYRVSA-N 0 0 199.304 2.098 10 30 AEEERN Cc1nsc(S[C@@H](C)CC#N)n1 87514077 573938227 /nfs/dbraw/zinc/93/82/27/573938227.db2.gz FSLSIFBPSAHSQV-YFKPBYRVSA-N 0 0 199.304 2.241 10 30 AEEERN C=CC(C)(C=C)CCC=O 238200533 573939660 /nfs/dbraw/zinc/93/96/60/573939660.db2.gz QOPMJLLBAPDQKJ-UHFFFAOYSA-N 0 0 138.210 2.344 10 30 AEEERN CC(C)[C@H](C#N)[C@@H](O)c1ccco1 238214776 573939067 /nfs/dbraw/zinc/93/90/67/573939067.db2.gz DCRQSMDSCBLXRS-WCBMZHEXSA-N 0 0 179.219 2.109 10 30 AEEERN C=C1[C@@H](O)CCCC1(C)C 238215083 573939165 /nfs/dbraw/zinc/93/91/65/573939165.db2.gz WLWYMOLXIKBRTM-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(Cl)nc1 87543016 573939318 /nfs/dbraw/zinc/93/93/18/573939318.db2.gz SNGQZYCMXZTGKD-ZETCQYMHSA-N 0 0 196.637 2.416 10 30 AEEERN CCCC1=CC(=O)C[C@@H](C)O1 238200999 573939368 /nfs/dbraw/zinc/93/93/68/573939368.db2.gz JASFOXKSILFLJM-SSDOTTSWSA-N 0 0 154.209 2.048 10 30 AEEERN CC1(C)CCC[C@H](CCC#N)[C@H]1O 238214734 573939396 /nfs/dbraw/zinc/93/93/96/573939396.db2.gz YDHUZBJFCPCLCB-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN CCC(=NC#N)Nc1ccccc1 238214638 573939420 /nfs/dbraw/zinc/93/94/20/573939420.db2.gz XGSMSTDTYDBTFR-UHFFFAOYSA-N 0 0 173.219 2.388 10 30 AEEERN CC(C)[C@]1(C)C=CC(=O)C1 238201065 573939491 /nfs/dbraw/zinc/93/94/91/573939491.db2.gz ZCIMIKCUWNSLNP-SECBINFHSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[C@@H](O)c1cnc(C)s1 235839676 573939506 /nfs/dbraw/zinc/93/95/06/573939506.db2.gz RWACDKLGYBDNBF-SSDOTTSWSA-N 0 0 169.249 2.061 10 30 AEEERN CC/C=C/C(=O)O[C@H](C#N)CCC 308468358 573939507 /nfs/dbraw/zinc/93/95/07/573939507.db2.gz JUALWZKHFMNCNI-IWGCBNPKSA-N 0 0 181.235 2.188 10 30 AEEERN CC1=C/C(=N\O)C=C(C(C)(C)C)[C@H]1O 238214865 573939527 /nfs/dbraw/zinc/93/95/27/573939527.db2.gz GEUSHWABUCQKES-MJWAUXSNSA-N 0 0 195.262 2.110 10 30 AEEERN CCCCC#CCCC#C[C@@H](C)O 238214942 573939645 /nfs/dbraw/zinc/93/96/45/573939645.db2.gz ANSDCKWGUBBWTE-GFCCVEGCSA-N 0 0 178.275 2.344 10 30 AEEERN C=CC[C@H](O)c1sc(C)nc1C 235831837 573939628 /nfs/dbraw/zinc/93/96/28/573939628.db2.gz NPXLPWSROCSTIS-QMMMGPOBSA-N 0 0 183.276 2.369 10 30 AEEERN C[C@@](O)(CC=O)c1ccc(Cl)cc1 84996431 573941894 /nfs/dbraw/zinc/94/18/94/573941894.db2.gz IAVQDPNROIMUMO-SNVBAGLBSA-N 0 0 198.649 2.137 10 30 AEEERN CC1(C)C(=O)[C@@]2(C)CC[C@@H]1C[C@@H]2C=O 238214871 573941850 /nfs/dbraw/zinc/94/18/50/573941850.db2.gz KFIQOYJCJKSLMK-LNLATYFQSA-N 0 0 194.274 2.217 10 30 AEEERN COc1cc(C)c(Cl)c(C#N)c1O 258184231 573941927 /nfs/dbraw/zinc/94/19/27/573941927.db2.gz WTTZQHLSSGONDL-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN C[C@](O)(CC=O)c1ccc(Cl)cc1 84996433 573941970 /nfs/dbraw/zinc/94/19/70/573941970.db2.gz IAVQDPNROIMUMO-JTQLQIEISA-N 0 0 198.649 2.137 10 30 AEEERN N#Cc1ccc2c(c1)C=CC2 81219934 573941861 /nfs/dbraw/zinc/94/18/61/573941861.db2.gz XUEIBGPISLXRBJ-UHFFFAOYSA-N 0 0 141.173 2.128 10 30 AEEERN N#Cc1ccc(OCCS)cc1F 87542852 573941912 /nfs/dbraw/zinc/94/19/12/573941912.db2.gz QJXNIVLSKSODKE-UHFFFAOYSA-N 0 0 197.234 2.006 10 30 AEEERN Cc1cc(C#N)cc(N(C)C)c1C 259247647 573942792 /nfs/dbraw/zinc/94/27/92/573942792.db2.gz AECYYEHGHFKDGR-UHFFFAOYSA-N 0 0 174.247 2.241 10 30 AEEERN CC[C@H](C#N)Oc1ccc(Cl)nc1 87543017 573942795 /nfs/dbraw/zinc/94/27/95/573942795.db2.gz SNGQZYCMXZTGKD-SSDOTTSWSA-N 0 0 196.637 2.416 10 30 AEEERN Cc1ccc(C)c([C@](C)(O)CC=O)c1 84996037 573942839 /nfs/dbraw/zinc/94/28/39/573942839.db2.gz XDKALLNLIXRRLE-GFCCVEGCSA-N 0 0 192.258 2.100 10 30 AEEERN C[C@@](O)(CC=O)c1cccc(Cl)c1 84996026 573944240 /nfs/dbraw/zinc/94/42/40/573944240.db2.gz KKVUYBHLWHXARI-SNVBAGLBSA-N 0 0 198.649 2.137 10 30 AEEERN C[C@@H](CC=O)c1ccc(O)cc1F 258186765 573943665 /nfs/dbraw/zinc/94/36/65/573943665.db2.gz WYJGRZWXOSPCDA-ZETCQYMHSA-N 0 0 182.194 2.224 10 30 AEEERN C#CCC(C=O)(CC)CC 238203647 573943744 /nfs/dbraw/zinc/94/37/44/573943744.db2.gz RDLJXMLDZVGMIX-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN Cc1ccc(C)c([C@@](C)(O)CC=O)c1 84996039 573943765 /nfs/dbraw/zinc/94/37/65/573943765.db2.gz XDKALLNLIXRRLE-LBPRGKRZSA-N 0 0 192.258 2.100 10 30 AEEERN N#Cc1cc(CF)cc(F)c1F 258020209 573943810 /nfs/dbraw/zinc/94/38/10/573943810.db2.gz NZZJXXJJKPJGQR-UHFFFAOYSA-N 0 0 171.121 2.306 10 30 AEEERN C=C[C@](C)(C=O)C(C)C 238202372 573943819 /nfs/dbraw/zinc/94/38/19/573943819.db2.gz SQMGITOEKSDIJZ-MRVPVSSYSA-N 0 0 126.199 2.034 10 30 AEEERN CCc1ccnc([C@H](C#N)C(C)C)n1 259023089 573943820 /nfs/dbraw/zinc/94/38/20/573943820.db2.gz GIUAULBREVELHD-SNVBAGLBSA-N 0 0 189.262 2.302 10 30 AEEERN C=C[C@](C)(Cl)C(=O)C(C)C 238201842 573943825 /nfs/dbraw/zinc/94/38/25/573943825.db2.gz MYBYYXVVORYILV-QMMMGPOBSA-N 0 0 160.644 2.395 10 30 AEEERN Cc1c(Cl)cc(O)c(O)c1CC#N 258186787 573944130 /nfs/dbraw/zinc/94/41/30/573944130.db2.gz WYSLGWISUMFZFV-UHFFFAOYSA-N 0 0 197.621 2.126 10 30 AEEERN C[C@](O)(CC=O)c1cccc(Cl)c1 84996028 573944169 /nfs/dbraw/zinc/94/41/69/573944169.db2.gz KKVUYBHLWHXARI-JTQLQIEISA-N 0 0 198.649 2.137 10 30 AEEERN C[C@@H]1CCC[C@H]([C@](C)(O)CC=O)C1 84996098 573944380 /nfs/dbraw/zinc/94/43/80/573944380.db2.gz REWILCZKHPKYQK-OUAUKWLOSA-N 0 0 184.279 2.153 10 30 AEEERN CC(C)[C@](C)(C=O)c1ccco1 238202479 573944223 /nfs/dbraw/zinc/94/42/23/573944223.db2.gz BCSIXDNKKWUMCI-JTQLQIEISA-N 0 0 166.220 2.392 10 30 AEEERN C=CC[C@](C)(C=O)C(C)C 238203035 573944227 /nfs/dbraw/zinc/94/42/27/573944227.db2.gz DSZIRCYBRXIAQT-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN CC(C)c1ccc([C@@H](O)C=O)cc1 84990772 573944283 /nfs/dbraw/zinc/94/42/83/573944283.db2.gz HWFMUDFRSBNNLD-NSHDSACASA-N 0 0 178.231 2.042 10 30 AEEERN C[C@H](CC=O)c1ccc(O)cc1F 258186762 573945268 /nfs/dbraw/zinc/94/52/68/573945268.db2.gz WYJGRZWXOSPCDA-SSDOTTSWSA-N 0 0 182.194 2.224 10 30 AEEERN CCCCC#CCC[C@@H](C)O 238215273 573946766 /nfs/dbraw/zinc/94/67/66/573946766.db2.gz DYUVBCLCKNAYCL-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C=C[C@@H]1[C@H](CC=O)C1(C)C 238205529 573948896 /nfs/dbraw/zinc/94/88/96/573948896.db2.gz XRZLFXWAGBTWED-SFYZADRCSA-N 0 0 138.210 2.034 10 30 AEEERN C=C1[C@@H](C(C)=O)[C@]1(C)C(C)C 238204210 573949227 /nfs/dbraw/zinc/94/92/27/573949227.db2.gz LWHXHZUJWYLESF-VHSXEESVSA-N 0 0 152.237 2.424 10 30 AEEERN C=C(Br)CCCCO 118701577 573948303 /nfs/dbraw/zinc/94/83/03/573948303.db2.gz CSTXIBXKUGBHJR-UHFFFAOYSA-N 0 0 179.057 2.058 10 30 AEEERN CC1=C(CCC=O)C(=O)CCC1 238208067 573950493 /nfs/dbraw/zinc/95/04/93/573950493.db2.gz YWOOEMXOHPNFKJ-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CC1(C)CC=C([C@@]2(O)C[C@H]2CC=O)C1 238205630 573948379 /nfs/dbraw/zinc/94/83/79/573948379.db2.gz HYPZCCUXXYMLAT-PWSUYJOCSA-N 0 0 194.274 2.073 10 30 AEEERN C=C1[C@H](C(C)=O)[C@]1(C)C(C)C 238204111 573948396 /nfs/dbraw/zinc/94/83/96/573948396.db2.gz LWHXHZUJWYLESF-NXEZZACHSA-N 0 0 152.237 2.424 10 30 AEEERN O=CC1([C@H](F)C(F)(F)F)CCC1 257913951 573948452 /nfs/dbraw/zinc/94/84/52/573948452.db2.gz QQIYGKDBDZUTRJ-YFKPBYRVSA-N 0 0 184.132 2.256 10 30 AEEERN C=CC[C@H]1[C@H](CC=O)C1(C)C 238205141 573948504 /nfs/dbraw/zinc/94/85/04/573948504.db2.gz YMEPVWZQHFBKBV-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN O=CC1([C@@H](F)C(F)(F)F)CCC1 257913940 573948590 /nfs/dbraw/zinc/94/85/90/573948590.db2.gz QQIYGKDBDZUTRJ-RXMQYKEDSA-N 0 0 184.132 2.256 10 30 AEEERN C[C@@H](C=O)C1Cc2ccccc2C1 257907688 573948675 /nfs/dbraw/zinc/94/86/75/573948675.db2.gz PXODWZTTXCSFAS-VIFPVBQESA-N 0 0 174.243 2.236 10 30 AEEERN CCCN(CC#N)[C@H](C)CC 45092472 573948688 /nfs/dbraw/zinc/94/86/88/573948688.db2.gz YCPIGEWAIRNMOI-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN C=C[C@]1(C(C)C)CC[C@@H]1CO 238204355 573948729 /nfs/dbraw/zinc/94/87/29/573948729.db2.gz NLSSMLDZOAOQML-NXEZZACHSA-N 0 0 154.253 2.217 10 30 AEEERN O=CCC(CC=O)c1ccccc1F 238556932 573948843 /nfs/dbraw/zinc/94/88/43/573948843.db2.gz SSRIQOGMTLFYPY-UHFFFAOYSA-N 0 0 194.205 2.087 10 30 AEEERN CC(C)[C@@]1(C=O)O[C@H]1c1ccccc1 238204543 573948846 /nfs/dbraw/zinc/94/88/46/573948846.db2.gz LPEKNCQMEMFSOQ-NWDGAFQWSA-N 0 0 190.242 2.352 10 30 AEEERN C=CC[C@H]1[C@@H](CC=O)C1(C)C 238205161 573948851 /nfs/dbraw/zinc/94/88/51/573948851.db2.gz YMEPVWZQHFBKBV-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC(=O)Cc1nc(C)c(C)s1 235835137 573949003 /nfs/dbraw/zinc/94/90/03/573949003.db2.gz FVSQAHKUEMLNKE-UHFFFAOYSA-N 0 0 181.260 2.058 10 30 AEEERN CC(C)[C@@](C#N)(C=O)c1ccccc1 238205272 573949062 /nfs/dbraw/zinc/94/90/62/573949062.db2.gz LBQAELVUDFWGOJ-GFCCVEGCSA-N 0 0 187.242 2.303 10 30 AEEERN Cc1cc(CC#N)cc(C#N)c1C 257913618 573949114 /nfs/dbraw/zinc/94/91/14/573949114.db2.gz BDPRNTDVMUFTNR-UHFFFAOYSA-N 0 0 170.215 2.241 10 30 AEEERN C#CC[C@@H](C)NC(=O)CC1CCCC1 127655222 573949185 /nfs/dbraw/zinc/94/91/85/573949185.db2.gz JVLAVQOLHDLYJJ-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C=C[C@H]1[C@H](CC=O)C1(C)C 238205440 573949211 /nfs/dbraw/zinc/94/92/11/573949211.db2.gz XRZLFXWAGBTWED-YUMQZZPRSA-N 0 0 138.210 2.034 10 30 AEEERN Nc1ccccc1/N=C/c1ccc[nH]1 110496545 573949263 /nfs/dbraw/zinc/94/92/63/573949263.db2.gz CEWJVGQDXNCNLH-RIYZIHGNSA-N 0 0 185.230 2.348 10 30 AEEERN CO[C@@H](C)c1ccc(C#N)cc1 257915491 573950442 /nfs/dbraw/zinc/95/04/42/573950442.db2.gz BLDIKJXRTWDFEB-QMMMGPOBSA-N 0 0 161.204 2.266 10 30 AEEERN CC(C)=CC(=O)[C@@H]1C=CCC1 223590369 573949363 /nfs/dbraw/zinc/94/93/63/573949363.db2.gz IXYTZWNCBWYEHN-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CC1(c2nc(CC#N)cs2)CC1 87554057 573949404 /nfs/dbraw/zinc/94/94/04/573949404.db2.gz ZUWYLEOQYLAXCU-UHFFFAOYSA-N 0 0 178.260 2.261 10 30 AEEERN C=CC[C@H](O)CCOc1ccccc1 42394637 573949448 /nfs/dbraw/zinc/94/94/48/573949448.db2.gz XOSQRDACXGOYEA-NSHDSACASA-N 0 0 192.258 2.393 10 30 AEEERN CC[C@H](CC#N)S[C@H](C)[C@@H](C)O 234011659 573949567 /nfs/dbraw/zinc/94/95/67/573949567.db2.gz HGNOGBCKWFDIIE-IWSPIJDZSA-N 0 0 187.308 2.181 10 30 AEEERN CCCN(CC#N)Cc1ccsc1 45092672 573949631 /nfs/dbraw/zinc/94/96/31/573949631.db2.gz GMTZDYBYQVPPGG-UHFFFAOYSA-N 0 0 194.303 2.484 10 30 AEEERN CCc1ccc(CN(C)CC#N)s1 45050355 573949692 /nfs/dbraw/zinc/94/96/92/573949692.db2.gz ITYAUQMILFZURQ-UHFFFAOYSA-N 0 0 194.303 2.266 10 30 AEEERN CC(C)(C)C(=O)C#CN1CCCCC1 259025871 573949734 /nfs/dbraw/zinc/94/97/34/573949734.db2.gz AWXJAZGCDOHOHD-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C=CCC(=O)Cc1cccc(OC)c1 42394626 573950014 /nfs/dbraw/zinc/95/00/14/573950014.db2.gz QGXFZOXUJQANRS-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN O=CC[C@H]1CSc2ccc(O)cc21 257913832 573950037 /nfs/dbraw/zinc/95/00/37/573950037.db2.gz BNJMXVDXVIYWQT-ZETCQYMHSA-N 0 0 194.255 2.171 10 30 AEEERN C=CCC[C@H](NN)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716487394 573950057 /nfs/dbraw/zinc/95/00/57/573950057.db2.gz SDVYTGFVWLXUHN-ROHXPCBUSA-N 0 0 194.322 2.077 10 30 AEEERN CC1=C(CCC=O)C(C)(C)C[C@H](O)C1 238208134 573950230 /nfs/dbraw/zinc/95/02/30/573950230.db2.gz AWXAMVMFWDUEHH-SNVBAGLBSA-N 0 0 196.290 2.463 10 30 AEEERN CCCN(CC#N)Cc1ccco1 45092547 573950244 /nfs/dbraw/zinc/95/02/44/573950244.db2.gz SVJXMBQUBARZCZ-UHFFFAOYSA-N 0 0 178.235 2.015 10 30 AEEERN C=CCC1=C(C)C(=O)CC1 238207135 573950270 /nfs/dbraw/zinc/95/02/70/573950270.db2.gz JZDUKZNHJVWZSZ-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC(C)[C@@]1(C)C=CC(=O)C1 238207923 573950276 /nfs/dbraw/zinc/95/02/76/573950276.db2.gz ZCIMIKCUWNSLNP-VIFPVBQESA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C=O)C1Cc2ccccc2C1 257907685 573950323 /nfs/dbraw/zinc/95/03/23/573950323.db2.gz PXODWZTTXCSFAS-SECBINFHSA-N 0 0 174.243 2.236 10 30 AEEERN CCCCN(CC#N)CCC 45092645 573950372 /nfs/dbraw/zinc/95/03/72/573950372.db2.gz SUHYLAWRJWRBHR-UHFFFAOYSA-N 0 0 154.257 2.022 10 30 AEEERN CC1=C(CCC#N)C(=O)CCC1 238207516 573950409 /nfs/dbraw/zinc/95/04/09/573950409.db2.gz YEELVFCPMNOVEZ-UHFFFAOYSA-N 0 0 163.220 2.360 10 30 AEEERN CC1(C)CCC[C@@H](CCC#N)[C@@H]1O 238207983 573950545 /nfs/dbraw/zinc/95/05/45/573950545.db2.gz YDHUZBJFCPCLCB-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)=CC(=O)[C@H]1C=CCC1 223590313 573950600 /nfs/dbraw/zinc/95/06/00/573950600.db2.gz IXYTZWNCBWYEHN-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)C(=C)[C@@H](O)C(C)C 238208526 573950732 /nfs/dbraw/zinc/95/07/32/573950732.db2.gz LZVALALQYUBUNT-VIFPVBQESA-N 0 0 140.226 2.136 10 30 AEEERN C=CCC(=O)Cc1ccccc1OC 42394622 573950747 /nfs/dbraw/zinc/95/07/47/573950747.db2.gz CCGZWPOOSFVOCI-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN C=C(C)[C@H](C=O)C(C)C 238206835 573950790 /nfs/dbraw/zinc/95/07/90/573950790.db2.gz BVTFTCYXEVIWAQ-QMMMGPOBSA-N 0 0 126.199 2.034 10 30 AEEERN CCCN(CC#N)CC1CCCC1 45092700 573952606 /nfs/dbraw/zinc/95/26/06/573952606.db2.gz NTDOSSBHISUCFM-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN CC1(C)CCC[C@@H](CCC=O)[C@@H]1O 238208027 573952607 /nfs/dbraw/zinc/95/26/07/573952607.db2.gz LKXXUNOTFZWCKF-UWVGGRQHSA-N 0 0 184.279 2.153 10 30 AEEERN CC(C)[C@@H](C#N)Nc1ccccn1 238207327 573952706 /nfs/dbraw/zinc/95/27/06/573952706.db2.gz BWXMBCMPGARUQZ-SECBINFHSA-N 0 0 175.235 2.042 10 30 AEEERN CC(C)[C@]1(C#N)C[C@@H]1C 259027374 573952774 /nfs/dbraw/zinc/95/27/74/573952774.db2.gz QWHXBSLCARHJNV-JGVFFNPUSA-N 0 0 123.199 2.192 10 30 AEEERN CC1(C)CCC(=O)[C@@H]2C[C@H](C#N)[C@@H]21 238206513 573952818 /nfs/dbraw/zinc/95/28/18/573952818.db2.gz SYABKHULLTUNIT-WEDXCCLWSA-N 0 0 177.247 2.151 10 30 AEEERN CC(C)[C@]1(C)CCCC(=O)C1=O 238208128 573952889 /nfs/dbraw/zinc/95/28/89/573952889.db2.gz ZANQDYGMGWADRV-JTQLQIEISA-N 0 0 168.236 2.454 10 30 AEEERN CC(C)=C[C@H](C=O)C(C)C 238206884 573953005 /nfs/dbraw/zinc/95/30/05/573953005.db2.gz MEUKOJCVTDIBFH-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN CC[C@H](CC#N)N(C)Cc1ccoc1 42448235 573953022 /nfs/dbraw/zinc/95/30/22/573953022.db2.gz JXPNMTLEEZUCDI-LLVKDONJSA-N 0 0 192.262 2.404 10 30 AEEERN CC[C@@H](C)OC[C@](C)(C#N)NC(C)C 45213944 573954422 /nfs/dbraw/zinc/95/44/22/573954422.db2.gz JDCZQHWESGXVLK-MNOVXSKESA-N 0 0 198.310 2.082 10 30 AEEERN CCCCSCC[C@](C)(N)C#N 45215824 573961307 /nfs/dbraw/zinc/96/13/07/573961307.db2.gz ZQCWVWHNQULPRJ-VIFPVBQESA-N 0 0 186.324 2.151 10 30 AEEERN CC1=C(Cl)C(=O)C(C)(C)C1 238210425 573954068 /nfs/dbraw/zinc/95/40/68/573954068.db2.gz LEUJAHDDEFOISH-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN C[C@@]1(C#N)C[C@@H]1c1cc[nH]c1 259026447 573954103 /nfs/dbraw/zinc/95/41/03/573954103.db2.gz QPYBRFMPBDAXJP-BDAKNGLRSA-N 0 0 146.193 2.032 10 30 AEEERN C=C1[C@H](CCO)[C@@]1(C)C(C)C 238209253 573954169 /nfs/dbraw/zinc/95/41/69/573954169.db2.gz IKFVARWYNMRTAT-UWVGGRQHSA-N 0 0 154.253 2.217 10 30 AEEERN N#C[C@@H]1CSc2ccccc2C1=O 104097197 573954180 /nfs/dbraw/zinc/95/41/80/573954180.db2.gz ZDBNYOBLOCLSQV-SSDOTTSWSA-N 0 0 189.239 2.115 10 30 AEEERN N#C[C@@H](NC1CCCC1)C1CCC1 87585284 573954466 /nfs/dbraw/zinc/95/44/66/573954466.db2.gz VKCJCLZDHCYNOC-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN C=C1[C@H]([C@@H](C)O)[C@@]1(C)C(C)C 238209311 573954231 /nfs/dbraw/zinc/95/42/31/573954231.db2.gz MDNVLWWZPUMHCS-BBBLOLIVSA-N 0 0 154.253 2.216 10 30 AEEERN C[C@]1(C#N)C[C@H]1c1cc[nH]c1 259026448 573954327 /nfs/dbraw/zinc/95/43/27/573954327.db2.gz QPYBRFMPBDAXJP-DTWKUNHWSA-N 0 0 146.193 2.032 10 30 AEEERN N#C[C@H]1CCC2(CCOCC2)C1 257910086 573954332 /nfs/dbraw/zinc/95/43/32/573954332.db2.gz AQIGQRSMDHQWEM-VIFPVBQESA-N 0 0 165.236 2.107 10 30 AEEERN N#C[C@@H]1CCCO[C@@H]1C1CCC1 87586306 573957081 /nfs/dbraw/zinc/95/70/81/573957081.db2.gz NPQWNRUWCIMSDS-VHSXEESVSA-N 0 0 165.236 2.105 10 30 AEEERN C#Cc1c[nH]nc1-c1ccccc1 104145759 573957092 /nfs/dbraw/zinc/95/70/92/573957092.db2.gz NOPUAFGOPVZLOB-UHFFFAOYSA-N 0 0 168.199 2.058 10 30 AEEERN CN[C@@]1(C#N)CCC[C@@H](C2CC2)C1 81642423 573956154 /nfs/dbraw/zinc/95/61/54/573956154.db2.gz XZAAKRREVXONSH-MNOVXSKESA-N 0 0 178.279 2.068 10 30 AEEERN CC(/C=C/c1ccc(N)cc1)=N/O 238210726 573956182 /nfs/dbraw/zinc/95/61/82/573956182.db2.gz DUTLERCXTFMMFO-JBBJQFSESA-N 0 0 176.219 2.132 10 30 AEEERN CC(C)[C@]1(C=O)O[C@@H]1c1ccccc1 238209628 573956269 /nfs/dbraw/zinc/95/62/69/573956269.db2.gz LPEKNCQMEMFSOQ-NEPJUHHUSA-N 0 0 190.242 2.352 10 30 AEEERN C=CC[C@H]1CCC(CO)=C1C 238209845 573956272 /nfs/dbraw/zinc/95/62/72/573956272.db2.gz RDCCOOZUIWAHGL-VIFPVBQESA-N 0 0 152.237 2.281 10 30 AEEERN C[C@H](C#N)N(C)CCc1ccccc1 45144025 573956327 /nfs/dbraw/zinc/95/63/27/573956327.db2.gz KQVMFTBUQZUPKH-LLVKDONJSA-N 0 0 188.274 2.073 10 30 AEEERN CCN[C@]1(C#N)CCC[C@H](C2CC2)C1 81642427 573956350 /nfs/dbraw/zinc/95/63/50/573956350.db2.gz BXAQIRPHGPFWLF-NWDGAFQWSA-N 0 0 192.306 2.458 10 30 AEEERN CC[C@@H](C)OC[C@@](C)(C#N)NC(C)C 45213938 573956404 /nfs/dbraw/zinc/95/64/04/573956404.db2.gz JDCZQHWESGXVLK-GHMZBOCLSA-N 0 0 198.310 2.082 10 30 AEEERN CCCCOCC[C@@](C)(C#N)NCC 45213493 573956534 /nfs/dbraw/zinc/95/65/34/573956534.db2.gz PJBDIVLKTRFPTG-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCN[C@]1(C#N)CCC[C@@H](C2CC2)C1 81642434 573956570 /nfs/dbraw/zinc/95/65/70/573956570.db2.gz BXAQIRPHGPFWLF-VXGBXAGGSA-N 0 0 192.306 2.458 10 30 AEEERN CC1(C)[C@@H]2C=CC=CC(=O)[C@@]21C 238210499 573956658 /nfs/dbraw/zinc/95/66/58/573956658.db2.gz BMZXIDJBSLERIZ-GZMMTYOYSA-N 0 0 162.232 2.344 10 30 AEEERN COc1c(C)c(C)cc(C)c1CC=O 259027665 573956731 /nfs/dbraw/zinc/95/67/31/573956731.db2.gz BBBOUCOICGPRFE-UHFFFAOYSA-N 0 0 192.258 2.362 10 30 AEEERN CC(C)[C@@]1(C)C(=O)C=C[C@@H]1C 238209224 573956741 /nfs/dbraw/zinc/95/67/41/573956741.db2.gz DUYHJJPIRMGZEX-WCBMZHEXSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)C1CCC1 87586484 573956764 /nfs/dbraw/zinc/95/67/64/573956764.db2.gz AGGCYCXADFCAGL-NXEZZACHSA-N 0 0 167.252 2.087 10 30 AEEERN CC1=CC(=C(C)O)C=C(C)C1=O 238209652 573956809 /nfs/dbraw/zinc/95/68/09/573956809.db2.gz YIZCDTZETIWVDT-UHFFFAOYSA-N 0 0 164.204 2.294 10 30 AEEERN N#C[C@@H](C1CCC1)N1CCCCC1 87585772 573956915 /nfs/dbraw/zinc/95/69/15/573956915.db2.gz NPKFHYKQGSZTFD-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)C1CCC1 87586485 573956930 /nfs/dbraw/zinc/95/69/30/573956930.db2.gz AGGCYCXADFCAGL-UWVGGRQHSA-N 0 0 167.252 2.087 10 30 AEEERN N#C[C@@H]1CCCO[C@H]1C1CCC1 87586307 573956989 /nfs/dbraw/zinc/95/69/89/573956989.db2.gz NPQWNRUWCIMSDS-UWVGGRQHSA-N 0 0 165.236 2.105 10 30 AEEERN CC(C)N[C@](C)(C#N)CCOC(C)C 45208286 573956997 /nfs/dbraw/zinc/95/69/97/573956997.db2.gz BCDLONPWXFQURI-NSHDSACASA-N 0 0 198.310 2.082 10 30 AEEERN COc1cc(C(C)C)cc(C#N)c1O 258189655 573957010 /nfs/dbraw/zinc/95/70/10/573957010.db2.gz XIIFJHMXQAYNDP-UHFFFAOYSA-N 0 0 191.230 2.396 10 30 AEEERN CCCCOC[C@](C)(C#N)NC(C)C 45213443 573958012 /nfs/dbraw/zinc/95/80/12/573958012.db2.gz QXHYWJNLKXNFFQ-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN COc1ccc([C@H]2C[C@H]2C#N)cc1F 259252054 573958152 /nfs/dbraw/zinc/95/81/52/573958152.db2.gz TYMPRIDWFNPQGW-DTWKUNHWSA-N 0 0 191.205 2.461 10 30 AEEERN C#C[C@H](O)/C(=C\c1ccccc1)CC 238211914 573958179 /nfs/dbraw/zinc/95/81/79/573958179.db2.gz VNZBMGSHDOICIJ-UKVQZPPCSA-N 0 0 186.254 2.474 10 30 AEEERN CCCCCOC[C@@](C)(C#N)NCC 45213529 573958320 /nfs/dbraw/zinc/95/83/20/573958320.db2.gz LBFZIJZENDAGOX-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@H](O)C2CCC2)C1 87586491 573958352 /nfs/dbraw/zinc/95/83/52/573958352.db2.gz PQUVVSGCHIYKIJ-YUSALJHKSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)C1CCC1 87586483 573958539 /nfs/dbraw/zinc/95/85/39/573958539.db2.gz AGGCYCXADFCAGL-ZJUUUORDSA-N 0 0 167.252 2.087 10 30 AEEERN C=C1C=CCC(C(C)=O)(C(C)=O)C1 197156913 573958549 /nfs/dbraw/zinc/95/85/49/573958549.db2.gz AJKQTWYXSQQHMU-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN CCCCC#C[C@@H]1O[C@@H]1CCCCO 212438672 573960654 /nfs/dbraw/zinc/96/06/54/573960654.db2.gz XLWYVBVUGLOCHB-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN C=C(C)[C@@H](CO)CCCC 238212864 573959691 /nfs/dbraw/zinc/95/96/91/573959691.db2.gz GSZZPFUQJQNOIX-SECBINFHSA-N 0 0 142.242 2.361 10 30 AEEERN Cc1c(C#N)cnc2c(O)cccc12 257912866 573959550 /nfs/dbraw/zinc/95/95/50/573959550.db2.gz QNASHIUSAOUFRN-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN C=C1[C@@H]2C(=O)CC[C@H]2C1(C)C 238211843 573959552 /nfs/dbraw/zinc/95/95/52/573959552.db2.gz CDGTYVBPEGYZPY-APPZFPTMSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCNC1=C(C)CC(C)(C)CC1=O 238212047 573959559 /nfs/dbraw/zinc/95/95/59/573959559.db2.gz NWSHQEHJYTUWBP-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN CC1(C)[C@@H]2CCC[C@@]21CC=O 238212316 573959564 /nfs/dbraw/zinc/95/95/64/573959564.db2.gz MVVWIULYQQVAOE-WCBMZHEXSA-N 0 0 152.237 2.402 10 30 AEEERN C=C1CCCC(C)=CC1=O 238215758 573959571 /nfs/dbraw/zinc/95/95/71/573959571.db2.gz CTHILOSNYCRAKW-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC1(C)[C@@H]2C=CC(=O)[C@@]1(C)C=C2 238211299 573959595 /nfs/dbraw/zinc/95/95/95/573959595.db2.gz UMLATUPBCITVAQ-LDYMZIIASA-N 0 0 162.232 2.344 10 30 AEEERN CCCCC#CC[C@H](C)C=O 238215734 573959607 /nfs/dbraw/zinc/95/96/07/573959607.db2.gz PULSHGSYHJHAED-JTQLQIEISA-N 0 0 152.237 2.405 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@H](O)C2CCC2)C1 87586493 573959649 /nfs/dbraw/zinc/95/96/49/573959649.db2.gz PQUVVSGCHIYKIJ-JLLWLGSASA-N 0 0 193.290 2.477 10 30 AEEERN C=C(OCCCC)C(=O)CC 238212122 573959725 /nfs/dbraw/zinc/95/97/25/573959725.db2.gz WWYWCIVOQSMKFO-UHFFFAOYSA-N 0 0 156.225 2.296 10 30 AEEERN N#C[C@H]1CCCO[C@H]1C1CCC1 87586309 573959743 /nfs/dbraw/zinc/95/97/43/573959743.db2.gz NPQWNRUWCIMSDS-ZJUUUORDSA-N 0 0 165.236 2.105 10 30 AEEERN C=C[C@H]1CCCC[C@H]1NC(=O)CC 238212610 573959791 /nfs/dbraw/zinc/95/97/91/573959791.db2.gz GAYDDHLIVNWQCO-VHSXEESVSA-N 0 0 181.279 2.257 10 30 AEEERN COc1ccc(C)cc1[C@H](F)C=O 257920938 573959802 /nfs/dbraw/zinc/95/98/02/573959802.db2.gz RLPHFXZSTDTRBM-SECBINFHSA-N 0 0 182.194 2.213 10 30 AEEERN C=CCCCC(=O)C[C@@H](C)OC 127893312 573962095 /nfs/dbraw/zinc/96/20/95/573962095.db2.gz LSKMHWPUIABZIO-SECBINFHSA-N 0 0 170.252 2.337 10 30 AEEERN CCCCC#C[C@@H]1O[C@H]1CCCCO 212438560 573959848 /nfs/dbraw/zinc/95/98/48/573959848.db2.gz XLWYVBVUGLOCHB-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CCC#C[C@H](CO)CCCC 238212634 573959878 /nfs/dbraw/zinc/95/98/78/573959878.db2.gz CKKXOEBOWOLXLQ-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN C=CC(=O)C[C@H]1CCC2(CCC2)O1 716876634 573962098 /nfs/dbraw/zinc/96/20/98/573962098.db2.gz PBZKUUVKKANNNA-SNVBAGLBSA-N 0 0 180.247 2.233 10 30 AEEERN CC(C)[C@H](O)C1=CC(C)(C)CCC1=O 238210843 573959955 /nfs/dbraw/zinc/95/99/55/573959955.db2.gz QDGWBOXWHBUJCG-NSHDSACASA-N 0 0 196.290 2.319 10 30 AEEERN N#C[C@H]1CCCO[C@@H]1C1CCC1 87586308 573959964 /nfs/dbraw/zinc/95/99/64/573959964.db2.gz NPQWNRUWCIMSDS-NXEZZACHSA-N 0 0 165.236 2.105 10 30 AEEERN CCSCC[C@](C)(C#N)NC1CC1 45216842 573962105 /nfs/dbraw/zinc/96/21/05/573962105.db2.gz WHOIOMNKPNPVMS-SNVBAGLBSA-N 0 0 198.335 2.164 10 30 AEEERN C=C1C=C(C)C(=O)C1(C)C 238215474 573960029 /nfs/dbraw/zinc/96/00/29/573960029.db2.gz WWANYUKQSUVKTL-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN COc1c(C)cccc1[C@@H](F)C=O 257920126 573960047 /nfs/dbraw/zinc/96/00/47/573960047.db2.gz RIJCYHSFMRPDBK-VIFPVBQESA-N 0 0 182.194 2.213 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)C1CCC1 87586486 573960166 /nfs/dbraw/zinc/96/01/66/573960166.db2.gz AGGCYCXADFCAGL-VHSXEESVSA-N 0 0 167.252 2.087 10 30 AEEERN CCC#C[C@@H](CO)CCCC 238212605 573960229 /nfs/dbraw/zinc/96/02/29/573960229.db2.gz CKKXOEBOWOLXLQ-JTQLQIEISA-N 0 0 154.253 2.199 10 30 AEEERN CC(C)CSCC[C@](C)(N)C#N 45215921 573960239 /nfs/dbraw/zinc/96/02/39/573960239.db2.gz KMSXFRPJLXYMHV-VIFPVBQESA-N 0 0 186.324 2.007 10 30 AEEERN CC1(C)[C@@H]2CC=C([C@@H](O)CC#N)[C@H]1C2 238212764 573960262 /nfs/dbraw/zinc/96/02/62/573960262.db2.gz YQUGQMUESXWTOK-IEBDPFPHSA-N 0 0 191.274 2.253 10 30 AEEERN C=CC(=O)C[C@@H]1CCC2(CCC2)O1 716876630 573960357 /nfs/dbraw/zinc/96/03/57/573960357.db2.gz PBZKUUVKKANNNA-JTQLQIEISA-N 0 0 180.247 2.233 10 30 AEEERN CC1CCC(C)(C)C(=O)C1=O 238212098 573960401 /nfs/dbraw/zinc/96/04/01/573960401.db2.gz OBNQXMVCFIHQTR-UHFFFAOYSA-N 0 0 154.209 2.208 10 30 AEEERN COc1cc(F)c(C)cc1CC#N 257913319 573960594 /nfs/dbraw/zinc/96/05/94/573960594.db2.gz BBEJRKJAOIKNDW-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN CCCN[C@@](C)(C#N)CCSC 45220404 573960606 /nfs/dbraw/zinc/96/06/06/573960606.db2.gz GVZPNPXWVTWJPW-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN C=C(C)[C@H]1CC=C(C)[C@@](O)(CCO)C1 222827779 573962139 /nfs/dbraw/zinc/96/21/39/573962139.db2.gz CSCGMABHQZIUSC-NWDGAFQWSA-N 0 0 196.290 2.032 10 30 AEEERN C=C(C[C@@H](O)C(C)C)N=[N+]=[N-] 238211328 573960696 /nfs/dbraw/zinc/96/06/96/573960696.db2.gz OAXZPPQJUOEGHH-SSDOTTSWSA-N 0 0 155.201 2.217 10 30 AEEERN Nc1ccc2occ(CS)c2c1 257920180 573960715 /nfs/dbraw/zinc/96/07/15/573960715.db2.gz CYPBKYFNASWFRO-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN C=C(C)[C@H]1CC=C(C)[C@](O)(CCO)C1 222827839 573960729 /nfs/dbraw/zinc/96/07/29/573960729.db2.gz CSCGMABHQZIUSC-RYUDHWBXSA-N 0 0 196.290 2.032 10 30 AEEERN CCCC[C@H]1O[C@H]1C#CCCCCO 212438360 573960740 /nfs/dbraw/zinc/96/07/40/573960740.db2.gz UVAMXOARLYYLQW-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN CSC(=NC#N)Nc1ccsc1 87587741 573960781 /nfs/dbraw/zinc/96/07/81/573960781.db2.gz PISLHUPJZHLYTF-UHFFFAOYSA-N 0 0 197.288 2.360 10 30 AEEERN C#C[C@]1(C)CCCC(C)(C)C1=O 238210938 573960911 /nfs/dbraw/zinc/96/09/11/573960911.db2.gz IBSGWSAKQWAXOV-LLVKDONJSA-N 0 0 164.248 2.405 10 30 AEEERN COc1cc(C)cc(CCC=O)c1 257913194 573960913 /nfs/dbraw/zinc/96/09/13/573960913.db2.gz BAKXFSHATAFHSK-UHFFFAOYSA-N 0 0 178.231 2.135 10 30 AEEERN COc1c(C)cccc1[C@H](F)C=O 257920122 573960989 /nfs/dbraw/zinc/96/09/89/573960989.db2.gz RIJCYHSFMRPDBK-SECBINFHSA-N 0 0 182.194 2.213 10 30 AEEERN C=C[C@@H]1CCCC[C@H]1NC(=O)CC 238212650 573961141 /nfs/dbraw/zinc/96/11/41/573961141.db2.gz GAYDDHLIVNWQCO-NXEZZACHSA-N 0 0 181.279 2.257 10 30 AEEERN CC1=C(N=[N+]=[N-])CCCC1=O 238211992 573961175 /nfs/dbraw/zinc/96/11/75/573961175.db2.gz KQDNRBSJWASHJF-UHFFFAOYSA-N 0 0 151.169 2.324 10 30 AEEERN CC(C)CCCOCC[C@](C)(N)C#N 45207776 573961230 /nfs/dbraw/zinc/96/12/30/573961230.db2.gz FJVLAFQVVPMFAS-NSHDSACASA-N 0 0 198.310 2.070 10 30 AEEERN CC(C)CSCC[C@@](C)(N)C#N 45215922 573961296 /nfs/dbraw/zinc/96/12/96/573961296.db2.gz KMSXFRPJLXYMHV-SECBINFHSA-N 0 0 186.324 2.007 10 30 AEEERN C[C@H]1Cc2cc(CC=O)ccc2S1 257921143 573961332 /nfs/dbraw/zinc/96/13/32/573961332.db2.gz BZMUYDUYQUJAIV-QMMMGPOBSA-N 0 0 192.283 2.465 10 30 AEEERN CC(C)CCCOCC[C@@](C)(N)C#N 45207777 573961398 /nfs/dbraw/zinc/96/13/98/573961398.db2.gz FJVLAFQVVPMFAS-LLVKDONJSA-N 0 0 198.310 2.070 10 30 AEEERN C=C[C@@]12C[C@@H](CC1=O)C2(C)C 238211690 573961439 /nfs/dbraw/zinc/96/14/39/573961439.db2.gz CBDVNQYZBZPCFJ-GMSGAONNSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1ccc(C(F)(F)C=O)s1 257920808 573961487 /nfs/dbraw/zinc/96/14/87/573961487.db2.gz RJRAVAZFBQRGBT-UHFFFAOYSA-N 0 0 176.187 2.347 10 30 AEEERN COc1c(C#N)cc(F)cc1SC 258189604 573961504 /nfs/dbraw/zinc/96/15/04/573961504.db2.gz XGYHQTPKALIVHU-UHFFFAOYSA-N 0 0 197.234 2.428 10 30 AEEERN CC[C@H](C)SC[C@](C)(C#N)NC 45216861 573961586 /nfs/dbraw/zinc/96/15/86/573961586.db2.gz AZVFGMILIIUQCY-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN CC(C)SC[C@@](C)(C#N)NC1CC1 45220162 573961651 /nfs/dbraw/zinc/96/16/51/573961651.db2.gz UJZKWJGBSRIIPX-SNVBAGLBSA-N 0 0 198.335 2.162 10 30 AEEERN C=C1[C@H]2C(=O)CC[C@H]2C1(C)C 238211787 573961663 /nfs/dbraw/zinc/96/16/63/573961663.db2.gz CDGTYVBPEGYZPY-VXNVDRBHSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)SC[C@](C)(C#N)NC1CC1 45220165 573961769 /nfs/dbraw/zinc/96/17/69/573961769.db2.gz UJZKWJGBSRIIPX-JTQLQIEISA-N 0 0 198.335 2.162 10 30 AEEERN CS/C(=N\C#N)N(C)C1CCCC1 87587339 573961787 /nfs/dbraw/zinc/96/17/87/573961787.db2.gz WIIZHCGGAXFFSJ-LUAWRHEFSA-N 0 0 197.307 2.061 10 30 AEEERN CC(C)C[C@H](C#N)C(F)F 257913528 573961894 /nfs/dbraw/zinc/96/18/94/573961894.db2.gz AUXSRGUTFFSABG-ZCFIWIBFSA-N 0 0 147.168 2.437 10 30 AEEERN CC(C)C[C@@H](C#N)C(F)F 257913525 573961937 /nfs/dbraw/zinc/96/19/37/573961937.db2.gz AUXSRGUTFFSABG-LURJTMIESA-N 0 0 147.168 2.437 10 30 AEEERN CC[C@H](C)SCC[C@](C)(N)C#N 45216956 573962059 /nfs/dbraw/zinc/96/20/59/573962059.db2.gz SVDNOCGLVPYPGZ-IUCAKERBSA-N 0 0 186.324 2.149 10 30 AEEERN C=CC[C@@H](O)CC#CCCC 238219452 573965415 /nfs/dbraw/zinc/96/54/15/573965415.db2.gz VCLVWQHGBYZPBH-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN CC(C)N(CCC#N)CC(F)(F)F 42530772 573964075 /nfs/dbraw/zinc/96/40/75/573964075.db2.gz RSVNNQARPPIIQT-UHFFFAOYSA-N 0 0 194.200 2.173 10 30 AEEERN CC[C@H](C)SCC[C@@](C)(N)C#N 45216962 573964076 /nfs/dbraw/zinc/96/40/76/573964076.db2.gz SVDNOCGLVPYPGZ-DTWKUNHWSA-N 0 0 186.324 2.149 10 30 AEEERN C=C(CC)C[C@H](O)C(C)C 85061252 573964213 /nfs/dbraw/zinc/96/42/13/573964213.db2.gz FNPWWGVZYWBQCI-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN CC1=CC(=O)C(F)(F)C=C1C 238216092 573964370 /nfs/dbraw/zinc/96/43/70/573964370.db2.gz YZHYLQLAQDSJER-UHFFFAOYSA-N 0 0 158.147 2.097 10 30 AEEERN CC[C@@H](C)SCC[C@](C)(N)C#N 45216954 573964594 /nfs/dbraw/zinc/96/45/94/573964594.db2.gz SVDNOCGLVPYPGZ-BDAKNGLRSA-N 0 0 186.324 2.149 10 30 AEEERN CCCCCCOCC[C@@](C)(N)C#N 45207383 573965478 /nfs/dbraw/zinc/96/54/78/573965478.db2.gz JNEMEQPMSCHPLX-LLVKDONJSA-N 0 0 198.310 2.214 10 30 AEEERN CC(C)CCOCCC[C@@](C)(N)C#N 45325661 573964621 /nfs/dbraw/zinc/96/46/21/573964621.db2.gz GTWBOENLIGNKHM-LLVKDONJSA-N 0 0 198.310 2.070 10 30 AEEERN CO[C@H](C=NOCC(C)C)C(C)C 393496305 573964635 /nfs/dbraw/zinc/96/46/35/573964635.db2.gz RWDXXQQZSWHZDR-SNVBAGLBSA-N 0 0 187.283 2.316 10 30 AEEERN CCCN[C@@](C)(C#N)CSCC 45216777 573964650 /nfs/dbraw/zinc/96/46/50/573964650.db2.gz GGEIVYDHBJTQIN-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CC(C)c1ccc([C@@](C)(O)C=O)cc1 85073744 573964697 /nfs/dbraw/zinc/96/46/97/573964697.db2.gz CHRZXFGGNAPBMQ-LBPRGKRZSA-N 0 0 192.258 2.216 10 30 AEEERN CC/C=C/C=C/[C@H]1C[C@@H]1C=O 238219371 573964790 /nfs/dbraw/zinc/96/47/90/573964790.db2.gz GVUBFZQUXOQYAR-CHYWWQAASA-N 0 0 150.221 2.344 10 30 AEEERN CCC/C=N/[C@H]1CCCC[C@H]1O 238219383 573964803 /nfs/dbraw/zinc/96/48/03/573964803.db2.gz TXTXMHNWCOQRQF-BMNILSKHSA-N 0 0 169.268 2.161 10 30 AEEERN C=C(CC)CN1CCCC[C@@H]1C#N 85059116 573964857 /nfs/dbraw/zinc/96/48/57/573964857.db2.gz GYGSWXKTRHOHRZ-LLVKDONJSA-N 0 0 178.279 2.331 10 30 AEEERN CCCCC#C[C@H](O)c1ccccn1 238218398 573964883 /nfs/dbraw/zinc/96/48/83/573964883.db2.gz KPWGHILGVXQRPA-LBPRGKRZSA-N 0 0 189.258 2.309 10 30 AEEERN CC(C)N(C/C=C/Cl)CCC#N 42530736 573964888 /nfs/dbraw/zinc/96/48/88/573964888.db2.gz YJEWZDLOLVXPKV-HWKANZROSA-N 0 0 186.686 2.363 10 30 AEEERN C#C[C@H](O)c1ccc(Cl)cc1C 235852660 573964926 /nfs/dbraw/zinc/96/49/26/573964926.db2.gz PEOCIAABNXYNJH-JTQLQIEISA-N 0 0 180.634 2.315 10 30 AEEERN CCCC#CCc1cc(O)cc(O)c1 238219557 573964989 /nfs/dbraw/zinc/96/49/89/573964989.db2.gz ZTYVCIAKDMKAPK-UHFFFAOYSA-N 0 0 190.242 2.444 10 30 AEEERN C=CC[C@H](O)CC#CCCC 238219246 573964995 /nfs/dbraw/zinc/96/49/95/573964995.db2.gz VCLVWQHGBYZPBH-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN CCCC#CC[C@H](O)CCC 238219468 573965004 /nfs/dbraw/zinc/96/50/04/573965004.db2.gz UOGYWHYJECUHIH-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C=C(CC)C[C@@H](O)C1CC1 85061309 573965051 /nfs/dbraw/zinc/96/50/51/573965051.db2.gz IYIVSIRYYWZCKY-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN CSCC[C@@](C)(C#N)NC(C)C 45220406 573965057 /nfs/dbraw/zinc/96/50/57/573965057.db2.gz GBMCBAVUHFSHOW-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN CCCC#C[C@@H](C)CC(C)=O 238219689 573965064 /nfs/dbraw/zinc/96/50/64/573965064.db2.gz YXCSSOYUJRFXLX-SECBINFHSA-N 0 0 152.237 2.405 10 30 AEEERN CCCN[C@@](C)(C#N)COC(C)(C)C 45207667 573965116 /nfs/dbraw/zinc/96/51/16/573965116.db2.gz VDXQRDAFUCJNQI-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN C=C1[C@@H]2CCC(=O)[C@@H]2C1(C)C 238219582 573965129 /nfs/dbraw/zinc/96/51/29/573965129.db2.gz DTKDBYLMESQYSF-IONNQARKSA-N 0 0 150.221 2.178 10 30 AEEERN CCCCC#C[C@H]1CCC[C@@H](O)O1 238218518 573965213 /nfs/dbraw/zinc/96/52/13/573965213.db2.gz UCIXVNREXYHQQW-QWRGUYRKSA-N 0 0 182.263 2.068 10 30 AEEERN CCSC[C@](C)(C#N)NC(C)C 45216781 573965285 /nfs/dbraw/zinc/96/52/85/573965285.db2.gz AFZQTPNHHVXGCQ-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN CCCC#CC[C@@H](O)CCC 238219269 573966507 /nfs/dbraw/zinc/96/65/07/573966507.db2.gz UOGYWHYJECUHIH-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN CCCC[C@H](C#N)OCC 85090567 573977371 /nfs/dbraw/zinc/97/73/71/573977371.db2.gz DKNWHRHCQHPRRS-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN CCO[C@@]1(C#N)CCCC[C@@H]1C 85090747 573977514 /nfs/dbraw/zinc/97/75/14/573977514.db2.gz SLOCWVMACJHSDX-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN O=CCCc1cccc2cnsc12 258192103 573967255 /nfs/dbraw/zinc/96/72/55/573967255.db2.gz XPFGGCLKXVWNGT-UHFFFAOYSA-N 0 0 191.255 2.428 10 30 AEEERN CCCCCOC[C@H](C#N)NC(C)C 45330414 573966380 /nfs/dbraw/zinc/96/63/80/573966380.db2.gz SENYHZAEDMQCPY-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN Cn1cnc2cc([C@@H]3C[C@@H]3C#N)ccc21 259028955 573966780 /nfs/dbraw/zinc/96/67/80/573966780.db2.gz DRABQNKZRPPPEK-ZJUUUORDSA-N 0 0 197.241 2.200 10 30 AEEERN CC(C)c1ccc([C@](C)(O)C=O)cc1 85073742 573966426 /nfs/dbraw/zinc/96/64/26/573966426.db2.gz CHRZXFGGNAPBMQ-GFCCVEGCSA-N 0 0 192.258 2.216 10 30 AEEERN CC[C@H](C)OCCCC[C@](C)(N)C#N 45330729 573966443 /nfs/dbraw/zinc/96/64/43/573966443.db2.gz GBSWAUNKUNPKDF-QWRGUYRKSA-N 0 0 198.310 2.213 10 30 AEEERN CCCN[C@@](C)(C#N)CCCOCC 45326754 573966488 /nfs/dbraw/zinc/96/64/88/573966488.db2.gz AQMTXCYHFRTJTR-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CC[C@H](C)OCCCC[C@@](C)(N)C#N 45330735 573966523 /nfs/dbraw/zinc/96/65/23/573966523.db2.gz GBSWAUNKUNPKDF-WDEREUQCSA-N 0 0 198.310 2.213 10 30 AEEERN CCC/C=N/[C@@H]1CCCC[C@@H]1O 238219157 573966524 /nfs/dbraw/zinc/96/65/24/573966524.db2.gz TXTXMHNWCOQRQF-PCYIOHOOSA-N 0 0 169.268 2.161 10 30 AEEERN CC/C=C/C=C/[C@@H]1C[C@H]1C=O 238219309 573966583 /nfs/dbraw/zinc/96/65/83/573966583.db2.gz GVUBFZQUXOQYAR-CBYALROWSA-N 0 0 150.221 2.344 10 30 AEEERN Cn1cnc2cc([C@@H]3C[C@H]3C#N)ccc21 259028948 573966589 /nfs/dbraw/zinc/96/65/89/573966589.db2.gz DRABQNKZRPPPEK-UWVGGRQHSA-N 0 0 197.241 2.200 10 30 AEEERN C=C1C[C@H]2[C@@H](C[C@@H]1CO)C2(C)C 238218485 573966591 /nfs/dbraw/zinc/96/65/91/573966591.db2.gz ANFVVVXUWXWLKD-KXUCPTDWSA-N 0 0 166.264 2.217 10 30 AEEERN C[C@@H](CC=O)c1ccc2[nH]cnc2c1 258191931 573966598 /nfs/dbraw/zinc/96/65/98/573966598.db2.gz XLGIUJAZOCEHNC-QMMMGPOBSA-N 0 0 188.230 2.255 10 30 AEEERN CO[C@@H](C=NOCC(C)C)C(C)C 393496301 573966628 /nfs/dbraw/zinc/96/66/28/573966628.db2.gz RWDXXQQZSWHZDR-JTQLQIEISA-N 0 0 187.283 2.316 10 30 AEEERN CCN(c1ccncc1C#N)C(C)C 306943068 573966714 /nfs/dbraw/zinc/96/67/14/573966714.db2.gz IRQJJQXOYWCRQY-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN C[C@H](CC=O)c1ccc2[nH]cnc2c1 258191929 573966733 /nfs/dbraw/zinc/96/67/33/573966733.db2.gz XLGIUJAZOCEHNC-MRVPVSSYSA-N 0 0 188.230 2.255 10 30 AEEERN N#Cc1ccc2c(c1N)CC(=O)S2 306941861 573966849 /nfs/dbraw/zinc/96/68/49/573966849.db2.gz RNIYUTUZHPRWMX-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CCN[C@H](C#N)CSC(C)(C)C 45333604 573966857 /nfs/dbraw/zinc/96/68/57/573966857.db2.gz IWTOCEHVJQYECY-MRVPVSSYSA-N 0 0 186.324 2.020 10 30 AEEERN CCCCSC[C@H](C#N)NCC 45332513 573966867 /nfs/dbraw/zinc/96/68/67/573966867.db2.gz PKWBIHADKNVENC-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCSCCCC[C@](C)(N)C#N 45333400 573966879 /nfs/dbraw/zinc/96/68/79/573966879.db2.gz ZUINQUAHOWDNJV-VIFPVBQESA-N 0 0 186.324 2.151 10 30 AEEERN C#CCC[C@@H](NCCC)C(F)(F)F 127891963 573966891 /nfs/dbraw/zinc/96/68/91/573966891.db2.gz NOETWXNKZFVKNB-MRVPVSSYSA-N 0 0 193.212 2.330 10 30 AEEERN Cn1ccc2sc(CC#N)cc21 259588322 573967000 /nfs/dbraw/zinc/96/70/00/573967000.db2.gz FUZGZNOZVRUXNJ-UHFFFAOYSA-N 0 0 176.244 2.306 10 30 AEEERN O=CCCc1ccc2c(c1)CCS2 258191982 573967042 /nfs/dbraw/zinc/96/70/42/573967042.db2.gz XMPXAJBHGFVGOF-UHFFFAOYSA-N 0 0 192.283 2.466 10 30 AEEERN C#CCC[C@H](NCCC)C(F)(F)F 127891698 573967110 /nfs/dbraw/zinc/96/71/10/573967110.db2.gz NOETWXNKZFVKNB-QMMMGPOBSA-N 0 0 193.212 2.330 10 30 AEEERN CC(C)N(CCC#N)c1ccncc1 42530885 573967150 /nfs/dbraw/zinc/96/71/50/573967150.db2.gz TWTJGKOFLRYJLE-UHFFFAOYSA-N 0 0 189.262 2.210 10 30 AEEERN CCC(=O)c1cc(F)ccc1C#N 306941333 573968255 /nfs/dbraw/zinc/96/82/55/573968255.db2.gz QOMWYRJKSZXQQU-UHFFFAOYSA-N 0 0 177.178 2.290 10 30 AEEERN C[C@H]1C[C@@H]([C@](C)(O)C=O)CC[C@H]1C 85074129 573968292 /nfs/dbraw/zinc/96/82/92/573968292.db2.gz QAOQYPGTWAOPIJ-VPOLOUISSA-N 0 0 184.279 2.009 10 30 AEEERN CC(C)CSC[C@@H](C#N)NC1CC1 45332600 573968359 /nfs/dbraw/zinc/96/83/59/573968359.db2.gz LQWYQKGZKPSCQO-SNVBAGLBSA-N 0 0 198.335 2.020 10 30 AEEERN CC[C@@H]1CCCC[C@H]1[C@](C)(O)C=O 85074398 573968363 /nfs/dbraw/zinc/96/83/63/573968363.db2.gz UJOSXELATLSJHE-GMTAPVOTSA-N 0 0 184.279 2.153 10 30 AEEERN CC[C@@H](C)OCCCC[C@](C)(N)C#N 45330726 573969098 /nfs/dbraw/zinc/96/90/98/573969098.db2.gz GBSWAUNKUNPKDF-MNOVXSKESA-N 0 0 198.310 2.213 10 30 AEEERN CCCN[C@@](C)(C#N)CCCCOC 45326632 573968607 /nfs/dbraw/zinc/96/86/07/573968607.db2.gz OPYUFAMKXCPSJJ-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCN[C@H](C#N)CS[C@H](C)CC 45333547 573968683 /nfs/dbraw/zinc/96/86/83/573968683.db2.gz GYHMMPDZBSUYRF-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN Cc1cc(C)c([C@](C)(O)C=O)cc1C 85074082 573968715 /nfs/dbraw/zinc/96/87/15/573968715.db2.gz WUAOVYAQZUXNCF-GFCCVEGCSA-N 0 0 192.258 2.018 10 30 AEEERN CCCSC[C@H](C#N)NC(C)C 45333645 573968721 /nfs/dbraw/zinc/96/87/21/573968721.db2.gz OASPSONKWWHIMM-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN CC1(C)CC[C@](C)(C=O)[C@@H]1CC=O 238227463 573968772 /nfs/dbraw/zinc/96/87/72/573968772.db2.gz CXAVNAIVAFNKFM-MWLCHTKSSA-N 0 0 182.263 2.217 10 30 AEEERN COc1c[nH]c2cccc(C#N)c12 306941055 573968816 /nfs/dbraw/zinc/96/88/16/573968816.db2.gz QKCXKSOSFKWNTP-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN CC1=CCC(=O)C[C@H]1C(C)(C)C#N 238227466 573968869 /nfs/dbraw/zinc/96/88/69/573968869.db2.gz KHALDAMPSXATCQ-SNVBAGLBSA-N 0 0 177.247 2.462 10 30 AEEERN SCc1ccc2c(c1)NCCC2 258192794 573968975 /nfs/dbraw/zinc/96/89/75/573968975.db2.gz PIFGTWRHXQZAQC-UHFFFAOYSA-N 0 0 179.288 2.475 10 30 AEEERN CC1(C)CC[C@](C)(C=O)[C@H]1CC=O 238227477 573968979 /nfs/dbraw/zinc/96/89/79/573968979.db2.gz CXAVNAIVAFNKFM-GXSJLCMTSA-N 0 0 182.263 2.217 10 30 AEEERN Cc1cc(C)c([C@@](C)(O)C=O)cc1C 85074083 573969015 /nfs/dbraw/zinc/96/90/15/573969015.db2.gz WUAOVYAQZUXNCF-LBPRGKRZSA-N 0 0 192.258 2.018 10 30 AEEERN C#C[C@@H]1C[C@H]1C(=O)CCCC 238227487 573969044 /nfs/dbraw/zinc/96/90/44/573969044.db2.gz VCZDEOCWUQXLJE-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN CCC[C@@H](C#N)CC[C@@H](C)O 238227388 573971545 /nfs/dbraw/zinc/97/15/45/573971545.db2.gz UDWWWKKJWLXTGW-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@H](C)SC[C@@H](C#N)NC1CC1 45333565 573971546 /nfs/dbraw/zinc/97/15/46/573971546.db2.gz JDELBWRMTANWJN-WCBMZHEXSA-N 0 0 198.335 2.162 10 30 AEEERN CC[C@@H](C)OCCC[C@](C)(C#N)NC 45330872 573970258 /nfs/dbraw/zinc/97/02/58/573970258.db2.gz SXOKKUGGEIPGBM-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN CCCNC(C)=CC(=O)C(F)(F)F 238228559 573970682 /nfs/dbraw/zinc/97/06/82/573970682.db2.gz WJFYNFBAGUYWFG-AATRIKPKSA-N 0 0 195.184 2.021 10 30 AEEERN Cc1nc(C2CC2)oc1CCC#N 259590217 573970468 /nfs/dbraw/zinc/97/04/68/573970468.db2.gz FWWZATLGJPZALO-UHFFFAOYSA-N 0 0 176.219 2.317 10 30 AEEERN CC1=CCC(=O)C[C@@H]1C(C)(C)C#N 238227426 573970488 /nfs/dbraw/zinc/97/04/88/573970488.db2.gz KHALDAMPSXATCQ-JTQLQIEISA-N 0 0 177.247 2.462 10 30 AEEERN CC[C@@H]1CCC[C@H]([C@](C)(O)C=O)C1 85074304 573970534 /nfs/dbraw/zinc/97/05/34/573970534.db2.gz BPAJWRAOSCQZMF-OUAUKWLOSA-N 0 0 184.279 2.153 10 30 AEEERN CCCCOCCC[C@](C)(C#N)NC 45330333 573970595 /nfs/dbraw/zinc/97/05/95/573970595.db2.gz GSKMBOUXESSOQP-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN Cc1ccc(C(=O)C#N)cc1C 104350490 573970621 /nfs/dbraw/zinc/97/06/21/573970621.db2.gz CNDYBTODCYCRQO-UHFFFAOYSA-N 0 0 159.188 2.010 10 30 AEEERN CC[C@@H](C)SC[C@H](C#N)NC1CC1 45333566 573970657 /nfs/dbraw/zinc/97/06/57/573970657.db2.gz JDELBWRMTANWJN-SCZZXKLOSA-N 0 0 198.335 2.162 10 30 AEEERN CCCN[C@H](C#N)CSCCC 45333642 573970698 /nfs/dbraw/zinc/97/06/98/573970698.db2.gz LEEKNEUZLGFFFG-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN C#C[C@H]1C[C@H]1C(=O)CCCC 238227397 573970708 /nfs/dbraw/zinc/97/07/08/573970708.db2.gz VCZDEOCWUQXLJE-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN CCCCOCCC[C@@](C)(C#N)NC 45330330 573970718 /nfs/dbraw/zinc/97/07/18/573970718.db2.gz GSKMBOUXESSOQP-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCCCOC[C@@H](C#N)NCCC 45330405 573970898 /nfs/dbraw/zinc/97/08/98/573970898.db2.gz SKRWOBAGAMAGDR-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCC1CCC([C@](C)(O)C=O)CC1 85074582 573970944 /nfs/dbraw/zinc/97/09/44/573970944.db2.gz VFQDBKDTAFRFJO-VQXHTEKXSA-N 0 0 184.279 2.153 10 30 AEEERN CCC1CCC([C@@](C)(O)C=O)CC1 85074583 573970985 /nfs/dbraw/zinc/97/09/85/573970985.db2.gz VFQDBKDTAFRFJO-ILDUYXDCSA-N 0 0 184.279 2.153 10 30 AEEERN CC[C@H](C)OCCC[C@@](C)(C#N)NC 45330869 573971030 /nfs/dbraw/zinc/97/10/30/573971030.db2.gz SXOKKUGGEIPGBM-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN CC[C@@H](C)OCCC[C@@](C)(C#N)NC 45330866 573971037 /nfs/dbraw/zinc/97/10/37/573971037.db2.gz SXOKKUGGEIPGBM-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN C=C1CC[C@H](C(C)C)C1=O 238227981 573971052 /nfs/dbraw/zinc/97/10/52/573971052.db2.gz AMDNDKCCEMPZMP-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN CCSCCC[C@@](C)(C#N)NC 45333454 573971056 /nfs/dbraw/zinc/97/10/56/573971056.db2.gz DQYMCYLTJPOLFQ-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN Cc1ccn(C)c1C1(CC#N)CC1 259590221 573971060 /nfs/dbraw/zinc/97/10/60/573971060.db2.gz FXBLTCVOWCZRGA-UHFFFAOYSA-N 0 0 174.247 2.279 10 30 AEEERN CCC(=O)[C@@](C)(C#N)c1ccco1 238228393 573971111 /nfs/dbraw/zinc/97/11/11/573971111.db2.gz SUOCEMWUBWMQIW-SNVBAGLBSA-N 0 0 177.203 2.040 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1[C@](C)(O)C=O 85074395 573971187 /nfs/dbraw/zinc/97/11/87/573971187.db2.gz UJOSXELATLSJHE-OUAUKWLOSA-N 0 0 184.279 2.153 10 30 AEEERN CC1(C)CCC(=O)[C@@H](CC#N)C1 259590232 573971262 /nfs/dbraw/zinc/97/12/62/573971262.db2.gz FXFAYAPBORKNKN-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN CCc1c(C#N)cnc2c1CCC2 259590192 573971762 /nfs/dbraw/zinc/97/17/62/573971762.db2.gz FWLOHFWETPJAPW-UHFFFAOYSA-N 0 0 172.231 2.004 10 30 AEEERN CC1(C(=O)C#N)CCCCC1 238227919 573971957 /nfs/dbraw/zinc/97/19/57/573971957.db2.gz KLWFWYCBOLWWGT-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN CCC#CCCCC#N 104394291 573971990 /nfs/dbraw/zinc/97/19/90/573971990.db2.gz UDYUMHJEOSQWRU-UHFFFAOYSA-N 0 0 121.183 2.094 10 30 AEEERN CCO[C@H](C#N)c1ccc(F)cc1 85090644 573977319 /nfs/dbraw/zinc/97/73/19/573977319.db2.gz ZQJDEQZWWZNHQV-SNVBAGLBSA-N 0 0 179.194 2.427 10 30 AEEERN CCCC(=O)C#CC(C)(C)Cl 238224185 573974086 /nfs/dbraw/zinc/97/40/86/573974086.db2.gz JCPOMXKQHFGZQI-UHFFFAOYSA-N 0 0 172.655 2.376 10 30 AEEERN CCC(C)(C)OC[C@H](C#N)NC(C)C 45324844 573972923 /nfs/dbraw/zinc/97/29/23/573972923.db2.gz DYHNSRZYMCROPI-JTQLQIEISA-N 0 0 198.310 2.082 10 30 AEEERN CC1=CCCC2(C=CC(=O)C=C2)O1 238229757 573972985 /nfs/dbraw/zinc/97/29/85/573972985.db2.gz ZMTXKOYPRRLYPJ-UHFFFAOYSA-N 0 0 176.215 2.135 10 30 AEEERN CC(C)(C)OCCCC[C@](C)(N)C#N 45324355 573977344 /nfs/dbraw/zinc/97/73/44/573977344.db2.gz PGEMSGXONKSDJM-NSHDSACASA-N 0 0 198.310 2.213 10 30 AEEERN CC1=CCCC=C(C)C1=O 238229780 573973059 /nfs/dbraw/zinc/97/30/59/573973059.db2.gz OVGLNGCBNHVRHY-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CSCCC[C@](C)(C#N)NC1CC1 45366406 573974687 /nfs/dbraw/zinc/97/46/87/573974687.db2.gz JJMLSTJOXHITBT-SNVBAGLBSA-N 0 0 198.335 2.164 10 30 AEEERN N#Cc1ccccc1CF 81914251 573973273 /nfs/dbraw/zinc/97/32/73/573973273.db2.gz MLQCZQSIWWPKLS-UHFFFAOYSA-N 0 0 135.141 2.028 10 30 AEEERN C=CC[C@@]1(CO)CCC=C1C 238233289 573973349 /nfs/dbraw/zinc/97/33/49/573973349.db2.gz LIJYLLNFHBPVIL-JTQLQIEISA-N 0 0 152.237 2.281 10 30 AEEERN CCCCCC[C@H](C)OC[C@H](N)C#N 45323962 573973391 /nfs/dbraw/zinc/97/33/91/573973391.db2.gz FYOILYZFOPGBJZ-WDEREUQCSA-N 0 0 198.310 2.213 10 30 AEEERN C#C[C@@H]1C[C@@H]1C(=O)CCCC 238228919 573973433 /nfs/dbraw/zinc/97/34/33/573973433.db2.gz VCZDEOCWUQXLJE-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN CCCN[C@@H](C#N)COC(C)(C)CC 45324837 573973498 /nfs/dbraw/zinc/97/34/98/573973498.db2.gz WGQIZXKIHKAZQU-JTQLQIEISA-N 0 0 198.310 2.083 10 30 AEEERN CCCC[C@H](CC)COC[C@@H](N)C#N 45324552 573973558 /nfs/dbraw/zinc/97/35/58/573973558.db2.gz QZDKVXXOXQUXLS-QWRGUYRKSA-N 0 0 198.310 2.070 10 30 AEEERN C#Cc1ccc2c(c1)OCC2(C)C 238229826 573973684 /nfs/dbraw/zinc/97/36/84/573973684.db2.gz OBUWHULEMDWXNG-UHFFFAOYSA-N 0 0 172.227 2.338 10 30 AEEERN CC1(C)O[C@@H]1c1ccc2[nH]cnc2c1 259254492 573973721 /nfs/dbraw/zinc/97/37/21/573973721.db2.gz KYURQLFWBCBPSJ-SNVBAGLBSA-N 0 0 188.230 2.413 10 30 AEEERN C=C1CC(C)(C)CC[C@H]1CO 238223483 573973765 /nfs/dbraw/zinc/97/37/65/573973765.db2.gz ADQXYXGZXRPHHA-VIFPVBQESA-N 0 0 154.253 2.361 10 30 AEEERN CC1(C)COc2cc(C#N)ccc21 238229849 573973960 /nfs/dbraw/zinc/97/39/60/573973960.db2.gz WTEJKXYKLMWKBF-UHFFFAOYSA-N 0 0 173.215 2.228 10 30 AEEERN C=C1C[C@@H]1C(=O)CCCC 238228654 573973974 /nfs/dbraw/zinc/97/39/74/573973974.db2.gz DZVKLSDVZYWGPV-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)C(=O)C=C(N)c1ccccc1 104396904 573974128 /nfs/dbraw/zinc/97/41/28/573974128.db2.gz GQKGQSGKHCJUIF-DHZHZOJOSA-N 0 0 189.258 2.211 10 30 AEEERN CCCCCC[C@@H](C)OC[C@H](N)C#N 45323960 573974152 /nfs/dbraw/zinc/97/41/52/573974152.db2.gz FYOILYZFOPGBJZ-GHMZBOCLSA-N 0 0 198.310 2.213 10 30 AEEERN CCCC[C@@H](CC)COC[C@H](N)C#N 45324543 573974287 /nfs/dbraw/zinc/97/42/87/573974287.db2.gz QZDKVXXOXQUXLS-GHMZBOCLSA-N 0 0 198.310 2.070 10 30 AEEERN C#C[C@@H]1[C@@H](CCC=C)C(=O)C1(C)C 238230066 573974425 /nfs/dbraw/zinc/97/44/25/573974425.db2.gz ZQRXYBIANZCWSW-NXEZZACHSA-N 0 0 176.259 2.427 10 30 AEEERN C=C[C@@](C)(Cl)C(=O)CC 238236138 573974604 /nfs/dbraw/zinc/97/46/04/573974604.db2.gz WQBYMPJUIKRVAH-SSDOTTSWSA-N 0 0 146.617 2.149 10 30 AEEERN CO[C@H](C#N)c1ccccc1F 85091090 573977387 /nfs/dbraw/zinc/97/73/87/573977387.db2.gz RIEFTJOABHTCTF-SECBINFHSA-N 0 0 165.167 2.037 10 30 AEEERN Cc1nc(C2(C#N)CC2)cs1 259253995 573975541 /nfs/dbraw/zinc/97/55/41/573975541.db2.gz KNRLBZSVVJSXRF-UHFFFAOYSA-N 0 0 164.233 2.007 10 30 AEEERN CN[C@@](C)(C#N)CCCOC(C)(C)C 45324434 573975496 /nfs/dbraw/zinc/97/54/96/573975496.db2.gz SKWCQRHSSFUZGH-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCO[C@]1(C#N)CC[C@H](C)C1 85090667 573977393 /nfs/dbraw/zinc/97/73/93/573977393.db2.gz ZBQYBHLJZYRAIO-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@]1(C#N)CCc2ccccc21 85090314 573977343 /nfs/dbraw/zinc/97/73/43/573977343.db2.gz PMUBAAVSIWMLRC-LBPRGKRZSA-N 0 0 187.242 2.388 10 30 AEEERN COc1ccc([C@@H](C#N)OC)cc1F 85091043 573977407 /nfs/dbraw/zinc/97/74/07/573977407.db2.gz RXOYISSMGUPDAJ-SNVBAGLBSA-N 0 0 195.193 2.045 10 30 AEEERN CCO[C@@](C#N)(CC)C1CC1 85090719 573977414 /nfs/dbraw/zinc/97/74/14/573977414.db2.gz IBMSSFVMKSMHRX-SECBINFHSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@](C)(C#N)C1CCCCC1 85090819 573977420 /nfs/dbraw/zinc/97/74/20/573977420.db2.gz QCIWJBLMCAKQIE-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@@H](C#N)c1ccc(F)cc1 85090643 573977444 /nfs/dbraw/zinc/97/74/44/573977444.db2.gz ZQJDEQZWWZNHQV-JTQLQIEISA-N 0 0 179.194 2.427 10 30 AEEERN CCO[C@@](C)(C#N)C1CCCC1 85090406 573977454 /nfs/dbraw/zinc/97/74/54/573977454.db2.gz ARSJVOXZWGGCGB-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN COc1ccc([C@H](C#N)OC)cc1C 85090916 573977467 /nfs/dbraw/zinc/97/74/67/573977467.db2.gz SBFGAOCAHIYSLX-NSHDSACASA-N 0 0 191.230 2.215 10 30 AEEERN CCO[C@@H](C#N)CC(C)(C)C 85090464 573977469 /nfs/dbraw/zinc/97/74/69/573977469.db2.gz LWXKBABHELVZGO-MRVPVSSYSA-N 0 0 155.241 2.351 10 30 AEEERN CCO[C@@]1(C#N)CCC[C@H](C)C1 85090576 573977354 /nfs/dbraw/zinc/97/73/54/573977354.db2.gz NIHQHQSYKUDAFE-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CC1=CC(=O)[C@@](C)(CCC#N)C1 238220709 573977493 /nfs/dbraw/zinc/97/74/93/573977493.db2.gz KFOWOKZVSUXJBC-JTQLQIEISA-N 0 0 163.220 2.216 10 30 AEEERN CCO[C@]1(C#N)CCO[C@H](C(C)C)C1 85090552 573977365 /nfs/dbraw/zinc/97/73/65/573977365.db2.gz IPOZZSGHGZTKHR-WDEREUQCSA-N 0 0 197.278 2.120 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)(OC)C1 85090878 573977311 /nfs/dbraw/zinc/97/73/11/573977311.db2.gz UXIXRDLDKZHQRV-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@]1(C#N)CCCC(C)(C)C1 85090776 573977196 /nfs/dbraw/zinc/97/71/96/573977196.db2.gz LAEZFLZXMBIJGU-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@]1(C#N)CCC[C@@H](C2CC2)C1 85090795 573977226 /nfs/dbraw/zinc/97/72/26/573977226.db2.gz FORWAQMFBDIFTR-GHMZBOCLSA-N 0 0 179.263 2.495 10 30 AEEERN N#CCCN(C/C=C/Cl)C1CC1 42549237 573977227 /nfs/dbraw/zinc/97/72/27/573977227.db2.gz AVDYREWCGRVFRI-ORCRQEGFSA-N 0 0 184.670 2.117 10 30 AEEERN CCO[C@](C#N)(CC)C1CC1 85090720 573977233 /nfs/dbraw/zinc/97/72/33/573977233.db2.gz IBMSSFVMKSMHRX-VIFPVBQESA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@@](C)(C#N)[C@H](C)CC 85090467 573977247 /nfs/dbraw/zinc/97/72/47/573977247.db2.gz XZHASQVKLWJWCN-BDAKNGLRSA-N 0 0 155.241 2.351 10 30 AEEERN COc1ccc([C@H](C#N)OC)cc1F 85091044 573977252 /nfs/dbraw/zinc/97/72/52/573977252.db2.gz RXOYISSMGUPDAJ-JTQLQIEISA-N 0 0 195.193 2.045 10 30 AEEERN CC(C)SCCC[C@@](C)(N)C#N 45366318 573977312 /nfs/dbraw/zinc/97/73/12/573977312.db2.gz CNWNRDLKTMPHES-SECBINFHSA-N 0 0 186.324 2.149 10 30 AEEERN CCO[C@]1(C#N)CCC[C@@H]1C 85090590 573977272 /nfs/dbraw/zinc/97/72/72/573977272.db2.gz CEKWALRMMVMMGC-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@@]1(C#N)CC[C@H](C)C1 85090668 573977293 /nfs/dbraw/zinc/97/72/93/573977293.db2.gz ZBQYBHLJZYRAIO-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@]1(C#N)CCCC[C@@H]1C 85091191 573977509 /nfs/dbraw/zinc/97/75/09/573977509.db2.gz GEWZRJWEEIOZLR-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CC1(C)CC[C@H]2O[C@@]2(C)[C@H]1CC=O 238220843 573977510 /nfs/dbraw/zinc/97/75/10/573977510.db2.gz UXMPZCUDWJNQQN-NGZCFLSTSA-N 0 0 182.263 2.169 10 30 AEEERN CO[C@@H](C#N)c1c(F)cccc1F 85091136 573977525 /nfs/dbraw/zinc/97/75/25/573977525.db2.gz PKVPJVIQPYYPJI-QMMMGPOBSA-N 0 0 183.157 2.176 10 30 AEEERN CO[C@H](C#N)c1ccc(F)cc1C 85091041 573977531 /nfs/dbraw/zinc/97/75/31/573977531.db2.gz ZHGJONRKMWXZOE-SNVBAGLBSA-N 0 0 179.194 2.345 10 30 AEEERN CCO[C@@](C#N)(CC)C(C)C 85090502 573977540 /nfs/dbraw/zinc/97/75/40/573977540.db2.gz BILRPWSGTVLIEQ-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN CO[C@@H](C#N)[C@H](C)c1ccccc1 85090827 573977547 /nfs/dbraw/zinc/97/75/47/573977547.db2.gz IMKZKANHLHNZKJ-KOLCDFICSA-N 0 0 175.231 2.329 10 30 AEEERN CO[C@H](C#N)C1CCCCC1 85090829 573977552 /nfs/dbraw/zinc/97/75/52/573977552.db2.gz LZNHCVKUWWGEGZ-SECBINFHSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@@]1(C#N)CC[C@@H](CC)C1 85090337 573977564 /nfs/dbraw/zinc/97/75/64/573977564.db2.gz SDGLXHFUKCXUOX-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H](C#N)[C@H]1CCC[C@@H](C)C1 85091068 573977580 /nfs/dbraw/zinc/97/75/80/573977580.db2.gz ABDBVVPPTMULKS-KXUCPTDWSA-N 0 0 167.252 2.351 10 30 AEEERN CCCC#Cc1ccc(N)cc1 238222077 573977583 /nfs/dbraw/zinc/97/75/83/573977583.db2.gz ZRAQKRWSODFOIZ-UHFFFAOYSA-N 0 0 159.232 2.420 10 30 AEEERN CCc1ccccc1[C@@H](C#N)OC 85091146 573977606 /nfs/dbraw/zinc/97/76/06/573977606.db2.gz KBXXNCZZILKYSK-LLVKDONJSA-N 0 0 175.231 2.460 10 30 AEEERN CCO[C@@]1(C#N)CC[C@@H](C)C1 85090670 573977641 /nfs/dbraw/zinc/97/76/41/573977641.db2.gz ZBQYBHLJZYRAIO-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@]1(C#N)CCC[C@H](C)CC1 85090933 573977662 /nfs/dbraw/zinc/97/76/62/573977662.db2.gz NBOUVLCWMCCJLX-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H]1CCC[C@](C#N)(OC)C1 85090881 573977687 /nfs/dbraw/zinc/97/76/87/573977687.db2.gz UXIXRDLDKZHQRV-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@@H](C#N)c1cccs1 85090308 573977701 /nfs/dbraw/zinc/97/77/01/573977701.db2.gz AZLCJQNXLDBSJG-ZETCQYMHSA-N 0 0 167.233 2.349 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(C#N)OC 85090893 573977704 /nfs/dbraw/zinc/97/77/04/573977704.db2.gz HAJMVUDNWGFMDY-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@](C)(C#N)CCC(C)C 85091023 573977720 /nfs/dbraw/zinc/97/77/20/573977720.db2.gz LJEWSLIMSSMSTC-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN CC1=CC(=O)[C@H]2[C@@H]1CC2(C)C 238222033 573977722 /nfs/dbraw/zinc/97/77/22/573977722.db2.gz QVAZYOQPRCMMBE-VXNVDRBHSA-N 0 0 150.221 2.178 10 30 AEEERN CO[C@@H](C#N)C1CCCCCC1 85091006 573977725 /nfs/dbraw/zinc/97/77/25/573977725.db2.gz KOCAGLYVZKBEFM-JTQLQIEISA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@](C)(C#N)CC(C)C 85090318 573977737 /nfs/dbraw/zinc/97/77/37/573977737.db2.gz RLXQFSRHOXOEPI-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CO[C@@]1(C#N)CCCc2ccccc21 85090964 573977747 /nfs/dbraw/zinc/97/77/47/573977747.db2.gz YSWXGSYWFIAGGN-GFCCVEGCSA-N 0 0 187.242 2.388 10 30 AEEERN CO[C@](C)(C#N)Cc1ccccc1 85091040 573977792 /nfs/dbraw/zinc/97/77/92/573977792.db2.gz MRDILHPGRZENST-NSHDSACASA-N 0 0 175.231 2.158 10 30 AEEERN CC(C)/C=N/[C@@H](O)c1ccccc1 238221423 573977760 /nfs/dbraw/zinc/97/77/60/573977760.db2.gz OGPIKULVPBQVHJ-SERMCNLOSA-N 0 0 177.247 2.404 10 30 AEEERN CCO[C@](C)(C#N)C1CCCC1 85090407 573977767 /nfs/dbraw/zinc/97/77/67/573977767.db2.gz ARSJVOXZWGGCGB-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@@H]1CCCC[C@]1(C#N)OC 85090895 573977769 /nfs/dbraw/zinc/97/77/69/573977769.db2.gz HAJMVUDNWGFMDY-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@](C)(C#N)[C@@H](C)CC 85090466 573977781 /nfs/dbraw/zinc/97/77/81/573977781.db2.gz XZHASQVKLWJWCN-DTWKUNHWSA-N 0 0 155.241 2.351 10 30 AEEERN CO[C@H](C#N)[C@H](C)c1ccccc1 85090825 573977783 /nfs/dbraw/zinc/97/77/83/573977783.db2.gz IMKZKANHLHNZKJ-MWLCHTKSSA-N 0 0 175.231 2.329 10 30 AEEERN CC/C=C/C[C@](C)(F)C=O 238223066 573981263 /nfs/dbraw/zinc/98/12/63/573981263.db2.gz AGYHFAVRRFJJKB-ZJELKQJVSA-N 0 0 144.189 2.270 10 30 AEEERN CCO[C@@]1(C#N)CCC[C@@H]1C 85090591 573978758 /nfs/dbraw/zinc/97/87/58/573978758.db2.gz CEKWALRMMVMMGC-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@]1(C#N)CCC[C@H]1C 85090592 573978761 /nfs/dbraw/zinc/97/87/61/573978761.db2.gz CEKWALRMMVMMGC-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@H](C#N)c1sccc1C 85091132 573978766 /nfs/dbraw/zinc/97/87/66/573978766.db2.gz MJPKYMXBJHVNED-ZETCQYMHSA-N 0 0 167.233 2.268 10 30 AEEERN CCO[C@]1(C#N)CCC[C@@H](C)C1 85090578 573978790 /nfs/dbraw/zinc/97/87/90/573978790.db2.gz NIHQHQSYKUDAFE-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@](C)(C#N)Cc1ccccc1 85091039 573978802 /nfs/dbraw/zinc/97/88/02/573978802.db2.gz MRDILHPGRZENST-LLVKDONJSA-N 0 0 175.231 2.158 10 30 AEEERN CO[C@H](C#N)c1cc(F)ccc1F 85091168 573978819 /nfs/dbraw/zinc/97/88/19/573978819.db2.gz AXDXUYZONASHEC-SECBINFHSA-N 0 0 183.157 2.176 10 30 AEEERN CCCC#C[C@H]1CCCC[C@@H]1O 238221233 573978834 /nfs/dbraw/zinc/97/88/34/573978834.db2.gz QEJRJYDNWRJAMT-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CO[C@]1(C#N)CCCc2ccccc21 85090963 573978843 /nfs/dbraw/zinc/97/88/43/573978843.db2.gz YSWXGSYWFIAGGN-LBPRGKRZSA-N 0 0 187.242 2.388 10 30 AEEERN CCO[C@@]1(C#N)CCC[C@@H](C)C1 85090579 573978847 /nfs/dbraw/zinc/97/88/47/573978847.db2.gz NIHQHQSYKUDAFE-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CCC[C@](C)(C#N)OCC 85090515 573978857 /nfs/dbraw/zinc/97/88/57/573978857.db2.gz ZOMMTTFCXIKBRK-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN Cc1nc(=S)[nH]c(C(C)C)c1C#N 238222122 573978875 /nfs/dbraw/zinc/97/88/75/573978875.db2.gz YILARHUAGXJPCA-UHFFFAOYSA-N 0 0 193.275 2.443 10 30 AEEERN CCCC#Cc1ccc(F)cc1CO 238222028 573978931 /nfs/dbraw/zinc/97/89/31/573978931.db2.gz UAWONIGOFFEREG-UHFFFAOYSA-N 0 0 192.233 2.470 10 30 AEEERN O=CC[C@H]1CCc2ccccc21 81951409 573978937 /nfs/dbraw/zinc/97/89/37/573978937.db2.gz VQYYJKSTJZHKOS-SNVBAGLBSA-N 0 0 160.216 2.305 10 30 AEEERN CCC[C@@H]([NH+](C)C)C1(C#N)CC1 259255455 573978960 /nfs/dbraw/zinc/97/89/60/573978960.db2.gz BOIHXYWDWJYSHT-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CCCC#C[C@H](O)C#C[Si](C)(C)C 238220899 573978968 /nfs/dbraw/zinc/97/89/68/573978968.db2.gz DUQPKEXOEULQIA-NSHDSACASA-N 0 0 194.350 2.032 10 30 AEEERN C#C[C@@H]1[C@H](CCC=C)C(=O)C1(C)C 238230084 573978996 /nfs/dbraw/zinc/97/89/96/573978996.db2.gz ZQRXYBIANZCWSW-VHSXEESVSA-N 0 0 176.259 2.427 10 30 AEEERN C=C1CC(C)(C)CC[C@@H]1CO 238226278 573987794 /nfs/dbraw/zinc/98/77/94/573987794.db2.gz ADQXYXGZXRPHHA-SECBINFHSA-N 0 0 154.253 2.361 10 30 AEEERN CC[C@@H](S)[C@H](S)CC 104401892 573979227 /nfs/dbraw/zinc/97/92/27/573979227.db2.gz LUONBHMVIZPOEK-PHDIDXHHSA-N 0 0 150.312 2.403 10 30 AEEERN CC[C@H](C#N)CN(C)c1ccncc1 259030447 573979266 /nfs/dbraw/zinc/97/92/66/573979266.db2.gz QKDACBVJBAZDFD-SNVBAGLBSA-N 0 0 189.262 2.068 10 30 AEEERN CCCC(=O)C#CC=C(C)C 238224289 573979402 /nfs/dbraw/zinc/97/94/02/573979402.db2.gz QNWVYBBFLLRRFV-UHFFFAOYSA-N 0 0 150.221 2.325 10 30 AEEERN O=CC[C@@H]1CCc2ccccc21 81951411 573979426 /nfs/dbraw/zinc/97/94/26/573979426.db2.gz VQYYJKSTJZHKOS-JTQLQIEISA-N 0 0 160.216 2.305 10 30 AEEERN C=C=C[C@](C)(C=O)CCC 238222835 573981063 /nfs/dbraw/zinc/98/10/63/573981063.db2.gz KCKXFVGTMIZMAZ-VIFPVBQESA-N 0 0 138.210 2.333 10 30 AEEERN CC(C)C1([C@@H](C#N)NC2CC2)CCC1 686133382 573981609 /nfs/dbraw/zinc/98/16/09/573981609.db2.gz OZPYFAFCLRKUPJ-LLVKDONJSA-N 0 0 192.306 2.457 10 30 AEEERN C=C[C@](C)(CCC)[C@H](C)O 238222813 573980727 /nfs/dbraw/zinc/98/07/27/573980727.db2.gz XOMSOWFJWCILHD-DTWKUNHWSA-N 0 0 142.242 2.360 10 30 AEEERN CC1(C)[C@H]2C=CC=CC(=O)[C@@]21C 238224148 573980785 /nfs/dbraw/zinc/98/07/85/573980785.db2.gz BMZXIDJBSLERIZ-LDYMZIIASA-N 0 0 162.232 2.344 10 30 AEEERN N#Cc1cnc(Cl)c2c1CCC2 223750573 573980909 /nfs/dbraw/zinc/98/09/09/573980909.db2.gz PQQLHYOCVRCSJC-UHFFFAOYSA-N 0 0 178.622 2.095 10 30 AEEERN CC1=CC(=O)[C@](C)(CCC=O)CC1 238222649 573981091 /nfs/dbraw/zinc/98/10/91/573981091.db2.gz DDYLTZJVNOFUTP-LLVKDONJSA-N 0 0 180.247 2.281 10 30 AEEERN CC1(C)[C@H](C=O)[C@H]1Oc1ccccc1 238223746 573981134 /nfs/dbraw/zinc/98/11/34/573981134.db2.gz ULMSDHWCHHITCI-GHMZBOCLSA-N 0 0 190.242 2.289 10 30 AEEERN C=C1C(=O)[C@@H]2CC=C[C@@H]2C1(C)C 238224300 573981187 /nfs/dbraw/zinc/98/11/87/573981187.db2.gz SGVLNWGIVHWDDE-BDAKNGLRSA-N 0 0 162.232 2.344 10 30 AEEERN CCCC(=O)C=C=C(C)C 238224270 573981191 /nfs/dbraw/zinc/98/11/91/573981191.db2.gz RDSHVJYYNGZDOQ-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CCCC#Cc1ccccc1NC=O 238222498 573981231 /nfs/dbraw/zinc/98/12/31/573981231.db2.gz KRZSWMLLQVWQRH-UHFFFAOYSA-N 0 0 187.242 2.407 10 30 AEEERN CCC1(CC)C=CC(=O)C=C1 238223949 573981358 /nfs/dbraw/zinc/98/13/58/573981358.db2.gz MQULIDZHMSHBIM-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1ccn2c(C#N)c(F)cc2c1 220708814 573981409 /nfs/dbraw/zinc/98/14/09/573981409.db2.gz FXBUHHUZANXTFN-UHFFFAOYSA-N 0 0 174.178 2.259 10 30 AEEERN CC(C)[C@@H]1CCC(O)=C(C=O)C1 110898902 573981496 /nfs/dbraw/zinc/98/14/96/573981496.db2.gz LBJMBHNJGLZGSO-GTUWVTDSSA-N 0 0 168.236 2.454 10 30 AEEERN C=C(CCC)CCC=O 238223104 573981677 /nfs/dbraw/zinc/98/16/77/573981677.db2.gz UZWPBMBXRGRZCQ-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN Cc1ccc(CS)cc1N 258194460 573981680 /nfs/dbraw/zinc/98/16/80/573981680.db2.gz UTDHEMLBCJQOIY-UHFFFAOYSA-N 0 0 153.250 2.007 10 30 AEEERN CC1=CC(C)(C)C(C)=CC1=O 238223473 573981832 /nfs/dbraw/zinc/98/18/32/573981832.db2.gz UTPVKNFFKOBRII-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CCC(=O)[C@@H](C)SCCS 238223704 573981859 /nfs/dbraw/zinc/98/18/59/573981859.db2.gz CFQIGSGGRAXOES-ZCFIWIBFSA-N 0 0 178.322 2.017 10 30 AEEERN C=CC(=O)C(=C)CCC 238222953 573981866 /nfs/dbraw/zinc/98/18/66/573981866.db2.gz BFNLJDAGPZTLTI-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=C(F)C(=O)CCCC 238222598 573981872 /nfs/dbraw/zinc/98/18/72/573981872.db2.gz WKMBAXMYLXJRAW-UHFFFAOYSA-N 0 0 130.162 2.229 10 30 AEEERN CC1=CC(=O)[C@](C)(CCC#N)C1 238222627 573981984 /nfs/dbraw/zinc/98/19/84/573981984.db2.gz KFOWOKZVSUXJBC-SNVBAGLBSA-N 0 0 163.220 2.216 10 30 AEEERN CCC[C@@H]([NH3+])c1cccc(C#N)c1[O-] 104452664 573982014 /nfs/dbraw/zinc/98/20/14/573982014.db2.gz HBABODWXMUCGED-SNVBAGLBSA-N 0 0 190.246 2.064 10 30 AEEERN Cc1ccsc1-c1c[nH]c(C#N)n1 259032102 573982108 /nfs/dbraw/zinc/98/21/08/573982108.db2.gz GOZSUSJEIHGBPO-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN O=CCc1nc(C2CCC2)cs1 259258496 573983229 /nfs/dbraw/zinc/98/32/29/573983229.db2.gz LTXNNCRLTDGUNF-UHFFFAOYSA-N 0 0 181.260 2.152 10 30 AEEERN CC(=O)/C=C(\Cl)C(C)C 223702975 573982147 /nfs/dbraw/zinc/98/21/47/573982147.db2.gz FMHZDAAETMIXGM-DAXSKMNVSA-N 0 0 146.617 2.354 10 30 AEEERN CC1=CC(C)(C)CC(=O)C=C1 238223606 573982294 /nfs/dbraw/zinc/98/22/94/573982294.db2.gz OWWBNTLGAVKKPI-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1C(=O)C(C)(C)C12CCC2 238230134 573982304 /nfs/dbraw/zinc/98/23/04/573982304.db2.gz UBMAOCDCOWIIJI-UHFFFAOYSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC[C@]1(C)CC(=O)C(C)=CC1=O 238222616 573982333 /nfs/dbraw/zinc/98/23/33/573982333.db2.gz VOVQDIVJNXMNOK-LLVKDONJSA-N 0 0 178.231 2.057 10 30 AEEERN COc1cccc2c(O)c(C#N)ccc12 258195543 573982385 /nfs/dbraw/zinc/98/23/85/573982385.db2.gz SDOWBHXGKVUVGQ-UHFFFAOYSA-N 0 0 199.209 2.426 10 30 AEEERN C=C(C)C=C=CC(=O)CCC 238224306 573982395 /nfs/dbraw/zinc/98/23/95/573982395.db2.gz DGFCLSLTSDGJIR-UHFFFAOYSA-N 0 0 150.221 2.325 10 30 AEEERN COc1ccc(C(=O)C=CO)cc1F 110898774 573982600 /nfs/dbraw/zinc/98/26/00/573982600.db2.gz UBHCIIPCARKELS-SNAWJCMRSA-N 0 0 196.177 2.089 10 30 AEEERN CC(C)[C@H]1CCC(O)=C(C=O)C1 110898905 573982641 /nfs/dbraw/zinc/98/26/41/573982641.db2.gz LBJMBHNJGLZGSO-CYXIBPNKSA-N 0 0 168.236 2.454 10 30 AEEERN CCC(CC)[C@@H](C)C=O 82094853 573982663 /nfs/dbraw/zinc/98/26/63/573982663.db2.gz UEGZUVXDLQYGOW-ZETCQYMHSA-N 0 0 128.215 2.258 10 30 AEEERN CCC[C@H](C)C[C@H]1CO1 82101562 573982722 /nfs/dbraw/zinc/98/27/22/573982722.db2.gz ILRVDGBLAUXESJ-YUMQZZPRSA-N 0 0 128.215 2.212 10 30 AEEERN CCC1(CC)CCN[C@@H](C#N)C1 238225732 573982843 /nfs/dbraw/zinc/98/28/43/573982843.db2.gz OTCWJUCNGVPVBB-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN CCC1(CC)CC[C@H](C#N)C1=O 238225793 573983087 /nfs/dbraw/zinc/98/30/87/573983087.db2.gz BZRLFTCVINRKIK-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN CCCn1cc(C#N)c2ncccc21 259257299 573983110 /nfs/dbraw/zinc/98/31/10/573983110.db2.gz FIFSLQNYXCSINI-UHFFFAOYSA-N 0 0 185.230 2.318 10 30 AEEERN COC1(c2ccccc2C#N)CC1 259257565 573983120 /nfs/dbraw/zinc/98/31/20/573983120.db2.gz AZOBEEMOBFCSHM-UHFFFAOYSA-N 0 0 173.215 2.194 10 30 AEEERN O=CCc1coc(C2CCCC2)n1 258195945 573985766 /nfs/dbraw/zinc/98/57/66/573985766.db2.gz SVWTXMHEGHJLTA-UHFFFAOYSA-N 0 0 179.219 2.074 10 30 AEEERN CC(C)C1([C@H](C#N)NC2CC2)CCC1 686133384 573985831 /nfs/dbraw/zinc/98/58/31/573985831.db2.gz OZPYFAFCLRKUPJ-NSHDSACASA-N 0 0 192.306 2.457 10 30 AEEERN C[C@@]12CC[C@@H](C[C@@H]1C=O)C2 82111770 573986931 /nfs/dbraw/zinc/98/69/31/573986931.db2.gz FOGNJNAREZZKTG-YIZRAAEISA-N 0 0 138.210 2.012 10 30 AEEERN CC1=CCCC[C@@H]1CC=O 238230268 573986733 /nfs/dbraw/zinc/98/67/33/573986733.db2.gz NMHVGVJGNCKATP-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN N#CC1(c2ccccn2)CC=CC1 87617248 573986797 /nfs/dbraw/zinc/98/67/97/573986797.db2.gz IDDGYEIFWKCWML-UHFFFAOYSA-N 0 0 170.215 2.193 10 30 AEEERN C[C@@H]1CC[C@@]1(C#N)c1cccnc1 87617385 573986804 /nfs/dbraw/zinc/98/68/04/573986804.db2.gz YQBDDKYRMGNQBF-KOLCDFICSA-N 0 0 172.231 2.273 10 30 AEEERN N#Cc1cc(F)ccc1N1CC=CC1 104457353 573986983 /nfs/dbraw/zinc/98/69/83/573986983.db2.gz COFWGOFUQXHLTG-UHFFFAOYSA-N 0 0 188.205 2.074 10 30 AEEERN CC1=C(C)C(=O)C(C(C)C)=CC1=O 238225953 573988049 /nfs/dbraw/zinc/98/80/49/573988049.db2.gz GRTRXCQUGVOTCT-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN CC1=CC2=C(C1)C(=O)CCC2 238225969 573988064 /nfs/dbraw/zinc/98/80/64/573988064.db2.gz KNBFYBSKSWMZIT-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN CC(C)=C[C@@H](C=O)C(C)C 238225911 573987697 /nfs/dbraw/zinc/98/76/97/573987697.db2.gz MEUKOJCVTDIBFH-VIFPVBQESA-N 0 0 140.226 2.424 10 30 AEEERN CC1(C)C2=C(CCCC2)[C@@H](O)[C@H]1C#N 238230392 573987705 /nfs/dbraw/zinc/98/77/05/573987705.db2.gz LMHMSTVLZCBRRQ-GHMZBOCLSA-N 0 0 191.274 2.397 10 30 AEEERN C[C@@H]1CC[C@@]1(C#N)c1ccccn1 87617265 573987995 /nfs/dbraw/zinc/98/79/95/573987995.db2.gz FNYNPGGHDRLTKM-KOLCDFICSA-N 0 0 172.231 2.273 10 30 AEEERN N#C[C@@H]1Cc2c(Cl)cccc2C1=O 104459538 573988156 /nfs/dbraw/zinc/98/81/56/573988156.db2.gz FFOQWMMGBDUORD-LURJTMIESA-N 0 0 191.617 2.219 10 30 AEEERN N#CC1(c2cccnc2)CC=CC1 87617367 573988215 /nfs/dbraw/zinc/98/82/15/573988215.db2.gz HGBITXGHKXXLJA-UHFFFAOYSA-N 0 0 170.215 2.193 10 30 AEEERN CC#C[C@H]1C=CC[C@H]1C(=O)CC 238226064 573988224 /nfs/dbraw/zinc/98/82/24/573988224.db2.gz IISHZQUSFTUKCS-VHSXEESVSA-N 0 0 162.232 2.181 10 30 AEEERN CCCn1cc(C#N)c(C(C)(C)C)n1 259260516 573988227 /nfs/dbraw/zinc/98/82/27/573988227.db2.gz BAYFSSINTNFWKH-UHFFFAOYSA-N 0 0 191.278 2.462 10 30 AEEERN Cc1nsc2sc(C#N)c(N)c12 259260083 573988233 /nfs/dbraw/zinc/98/82/33/573988233.db2.gz FJVJJBHWODNBTF-UHFFFAOYSA-N 0 0 195.272 2.120 10 30 AEEERN Nc1ccc2c(CS)c[nH]c2c1 258196701 573988283 /nfs/dbraw/zinc/98/82/83/573988283.db2.gz ZYAWMAJZTTZNKI-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN CC#C[C@@H]1C=CC[C@H]1C(=O)CC 238226076 573988730 /nfs/dbraw/zinc/98/87/30/573988730.db2.gz IISHZQUSFTUKCS-NXEZZACHSA-N 0 0 162.232 2.181 10 30 AEEERN N#CC1(c2cccnc2)CC2(CC2)C1 87617409 573988458 /nfs/dbraw/zinc/98/84/58/573988458.db2.gz VHPKUHXOYCCXHK-UHFFFAOYSA-N 0 0 184.242 2.417 10 30 AEEERN CCCCOC[C@](Cl)(C=O)CC 238230377 573988577 /nfs/dbraw/zinc/98/85/77/573988577.db2.gz HONSMSGNJLOLCY-SECBINFHSA-N 0 0 192.686 2.390 10 30 AEEERN CCCC(=O)C1=CC(C)(C)N=N1 238226494 573988621 /nfs/dbraw/zinc/98/86/21/573988621.db2.gz ZTNWMXAORUSKKC-UHFFFAOYSA-N 0 0 166.224 2.484 10 30 AEEERN C[C@@H]1CC[C@]1(C#N)c1cccnc1 87617389 573988681 /nfs/dbraw/zinc/98/86/81/573988681.db2.gz YQBDDKYRMGNQBF-MWLCHTKSSA-N 0 0 172.231 2.273 10 30 AEEERN N#C[C@H]1Cc2c(Cl)cccc2C1=O 104459535 573988759 /nfs/dbraw/zinc/98/87/59/573988759.db2.gz FFOQWMMGBDUORD-ZCFIWIBFSA-N 0 0 191.617 2.219 10 30 AEEERN CC1CC(C#N)(c2cccnc2)C1 87617364 573988783 /nfs/dbraw/zinc/98/87/83/573988783.db2.gz HBQTYFUBKLCGAN-UHFFFAOYSA-N 0 0 172.231 2.273 10 30 AEEERN C[C@H]1CC[C@]1(C#N)c1ccccn1 87617272 573988794 /nfs/dbraw/zinc/98/87/94/573988794.db2.gz FNYNPGGHDRLTKM-GXSJLCMTSA-N 0 0 172.231 2.273 10 30 AEEERN C[C@H]1CC[C@@]1(C#N)c1ccccn1 87617267 573988829 /nfs/dbraw/zinc/98/88/29/573988829.db2.gz FNYNPGGHDRLTKM-ONGXEEELSA-N 0 0 172.231 2.273 10 30 AEEERN C[C@H]1CC[C@]1(C#N)c1cccnc1 87617392 573988861 /nfs/dbraw/zinc/98/88/61/573988861.db2.gz YQBDDKYRMGNQBF-GXSJLCMTSA-N 0 0 172.231 2.273 10 30 AEEERN N#Cc1nc2cc(F)cc(F)c2s1 104460910 573988904 /nfs/dbraw/zinc/98/89/04/573988904.db2.gz GISHIULTYHTCRA-UHFFFAOYSA-N 0 0 196.181 2.446 10 30 AEEERN C=Nc1cc(OC)ccc1OC 104458153 573989739 /nfs/dbraw/zinc/98/97/39/573989739.db2.gz XIFAAQSFIXLYSE-UHFFFAOYSA-N 0 0 165.192 2.036 10 30 AEEERN CCCC(=O)CCC(C)(C)C=O 82123991 573989740 /nfs/dbraw/zinc/98/97/40/573989740.db2.gz UWWGHYQLJGKUJH-UHFFFAOYSA-N 0 0 170.252 2.361 10 30 AEEERN C=Nc1cc(C)ccc1OC 104458511 573989780 /nfs/dbraw/zinc/98/97/80/573989780.db2.gz PKZKMKATCQAKGS-UHFFFAOYSA-N 0 0 149.193 2.336 10 30 AEEERN CC(C)[C@H]1CCC[C@@H](CC=O)O1 238230956 573989838 /nfs/dbraw/zinc/98/98/38/573989838.db2.gz CTUWZICLPSVMEL-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN CN1CCc2ccccc2[C@H]1S 259259050 573989902 /nfs/dbraw/zinc/98/99/02/573989902.db2.gz APTLCWVETXWEQC-SNVBAGLBSA-N 0 0 179.288 2.103 10 30 AEEERN C=CCC(=O)C[C@@H]1CCCCO1 128014703 573992116 /nfs/dbraw/zinc/99/21/16/573992116.db2.gz KBNGVYHXFULWHC-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CCCCC[C@@H](F)C=O 104466822 573992181 /nfs/dbraw/zinc/99/21/81/573992181.db2.gz NLUYELGXACNDKZ-SSDOTTSWSA-N 0 0 132.178 2.104 10 30 AEEERN Cc1cccc([C@H](F)C=O)c1 104467356 573992396 /nfs/dbraw/zinc/99/23/96/573992396.db2.gz RGBYHNSIDLJZTD-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN O=C[C@@H](F)c1cccc(F)c1 104468031 573991653 /nfs/dbraw/zinc/99/16/53/573991653.db2.gz HUTOXSFSRHNCML-MRVPVSSYSA-N 0 0 156.131 2.035 10 30 AEEERN C=C[C@H]1[C@@H](CC=O)C1(C)C 238234034 573991757 /nfs/dbraw/zinc/99/17/57/573991757.db2.gz XRZLFXWAGBTWED-JGVFFNPUSA-N 0 0 138.210 2.034 10 30 AEEERN N#CC1(c2ccncc2)CC=CC1 87618242 573991760 /nfs/dbraw/zinc/99/17/60/573991760.db2.gz ZAWCFLBSXUGAHD-UHFFFAOYSA-N 0 0 170.215 2.193 10 30 AEEERN C[C@H]1CC[C@@]1(C#N)c1ccncc1 87618255 573991860 /nfs/dbraw/zinc/99/18/60/573991860.db2.gz HLSJJSJRJFQNRH-ONGXEEELSA-N 0 0 172.231 2.273 10 30 AEEERN CC1(C)C[C@@H]2C(=O)CCC[C@]21C#N 238233955 573992005 /nfs/dbraw/zinc/99/20/05/573992005.db2.gz HRSXFPPXZQJZTP-KCJUWKMLSA-N 0 0 177.247 2.295 10 30 AEEERN O=C1C=Cc2cc(F)ccc21 104465359 573992024 /nfs/dbraw/zinc/99/20/24/573992024.db2.gz QZCCVGKBWYXXQY-UHFFFAOYSA-N 0 0 148.136 2.035 10 30 AEEERN CCC[C@@](C)(O)[C@H](C#N)CC 87650012 573992092 /nfs/dbraw/zinc/99/20/92/573992092.db2.gz DAZLMHKFDXCTDM-DTWKUNHWSA-N 0 0 155.241 2.087 10 30 AEEERN O=C[C@@H](F)Cc1cccc(F)c1F 104463372 573992267 /nfs/dbraw/zinc/99/22/67/573992267.db2.gz LYCBRTXECLUUDD-ZETCQYMHSA-N 0 0 188.148 2.044 10 30 AEEERN N#CC1(c2ccncc2)CC2(CC2)C1 87618272 573992305 /nfs/dbraw/zinc/99/23/05/573992305.db2.gz NAKYEHWRALEJAS-UHFFFAOYSA-N 0 0 184.242 2.417 10 30 AEEERN O=C[C@@H](F)Cc1cc(F)cc(F)c1 104463736 573992308 /nfs/dbraw/zinc/99/23/08/573992308.db2.gz BTSJTVIUKCWTEC-VIFPVBQESA-N 0 0 188.148 2.044 10 30 AEEERN CCC[C@@](C)(O)[C@@H](C#N)CC 87650014 573992433 /nfs/dbraw/zinc/99/24/33/573992433.db2.gz DAZLMHKFDXCTDM-RKDXNWHRSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@@H](C#N)c1cnoc1C 259590839 573993303 /nfs/dbraw/zinc/99/33/03/573993303.db2.gz BXPJKBRFIQEITE-ZETCQYMHSA-N 0 0 150.181 2.000 10 30 AEEERN CN(c1cc(F)cc(C#N)c1)C1CC1 227607384 573993324 /nfs/dbraw/zinc/99/33/24/573993324.db2.gz UEHKPXUJAVZVGB-UHFFFAOYSA-N 0 0 190.221 2.296 10 30 AEEERN O=C[C@H](F)Cc1cc(F)cc(F)c1 104463738 573993241 /nfs/dbraw/zinc/99/32/41/573993241.db2.gz BTSJTVIUKCWTEC-SECBINFHSA-N 0 0 188.148 2.044 10 30 AEEERN CCC1=C(C)C(=O)C[C@H]1C 238235599 573994529 /nfs/dbraw/zinc/99/45/29/573994529.db2.gz BCQYOFQAZNHYTB-ZCFIWIBFSA-N 0 0 138.210 2.322 10 30 AEEERN CCC1=C(C(C)=O)CCC1 238234997 573994534 /nfs/dbraw/zinc/99/45/34/573994534.db2.gz LCEXMFJDXHJVRJ-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN Cc1ccc(C[C@H](F)C=O)cc1F 104472291 573994538 /nfs/dbraw/zinc/99/45/38/573994538.db2.gz UOPHLVKWEYPWOH-VIFPVBQESA-N 0 0 184.185 2.214 10 30 AEEERN CCC(CC)N(C)C(C)(C)C#N 259260922 573994263 /nfs/dbraw/zinc/99/42/63/573994263.db2.gz BEHBORSZZFQJOC-UHFFFAOYSA-N 0 0 168.284 2.409 10 30 AEEERN N#CC1(CNc2ccccc2)CC1 117261749 573994282 /nfs/dbraw/zinc/99/42/82/573994282.db2.gz WXPDQVUHWKMWJB-UHFFFAOYSA-N 0 0 172.231 2.402 10 30 AEEERN CC[C@@H](C#N)NC[C@@H]1CC=CCC1 45629533 573994358 /nfs/dbraw/zinc/99/43/58/573994358.db2.gz XSQGNYQFEUNKBP-MNOVXSKESA-N 0 0 178.279 2.234 10 30 AEEERN CCC1=C(C(C)=O)C(C)(C)N=N1 238234982 573994435 /nfs/dbraw/zinc/99/44/35/573994435.db2.gz QFGSZYOEKZTJHT-UHFFFAOYSA-N 0 0 166.224 2.484 10 30 AEEERN C[C@@H](c1ccccc1)[C@@H](F)C=O 104468676 573997507 /nfs/dbraw/zinc/99/75/07/573997507.db2.gz YVJOGTRWYHBXEI-WPRPVWTQSA-N 0 0 166.195 2.327 10 30 AEEERN N#CC1(C(=O)C2CCCCC2)CC1 259264404 574000304 /nfs/dbraw/zinc/00/03/04/574000304.db2.gz SZFBLTDBTRCCAR-UHFFFAOYSA-N 0 0 177.247 2.440 10 30 AEEERN C=C[C@@H]1C[C@@H](CCO)C1(C)C 238234586 573996063 /nfs/dbraw/zinc/99/60/63/573996063.db2.gz MWVOQPUNAWGMOM-RKDXNWHRSA-N 0 0 154.253 2.217 10 30 AEEERN CC1(C)C[C@@H]2CCC[C@@]21C=O 238234969 573996096 /nfs/dbraw/zinc/99/60/96/573996096.db2.gz RTARYTYUIWNRDM-WCBMZHEXSA-N 0 0 152.237 2.402 10 30 AEEERN C[C@H](c1ccccc1)[C@H](F)C=O 104468673 573996111 /nfs/dbraw/zinc/99/61/11/573996111.db2.gz YVJOGTRWYHBXEI-PSASIEDQSA-N 0 0 166.195 2.327 10 30 AEEERN CCC[C@@]1(C)CC(=O)C=C(C)O1 238235561 573996180 /nfs/dbraw/zinc/99/61/80/573996180.db2.gz IVRFMFWFJWXXMA-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN C=C(CC)CC(=O)C[C@H](C)OC 127928221 573996210 /nfs/dbraw/zinc/99/62/10/573996210.db2.gz WUXGCDOQYHMBTN-VIFPVBQESA-N 0 0 170.252 2.337 10 30 AEEERN O=C[C@H](F)c1cc(F)ccc1F 104471601 573996215 /nfs/dbraw/zinc/99/62/15/573996215.db2.gz FCGCKSHBCMAVOM-QMMMGPOBSA-N 0 0 174.121 2.174 10 30 AEEERN Cc1ccccc1C[C@@H](F)C=O 104469412 573996307 /nfs/dbraw/zinc/99/63/07/573996307.db2.gz ZNMRSFHLABBKMT-SNVBAGLBSA-N 0 0 166.195 2.075 10 30 AEEERN C=C[C@H]1C[C@@H](CCO)C1(C)C 238234529 573996315 /nfs/dbraw/zinc/99/63/15/573996315.db2.gz MWVOQPUNAWGMOM-DTWKUNHWSA-N 0 0 154.253 2.217 10 30 AEEERN CCC1=C(C)C(=O)C[C@@H](C)O1 238235547 573996406 /nfs/dbraw/zinc/99/64/06/573996406.db2.gz VGGJEEJAZXWVKM-ZCFIWIBFSA-N 0 0 154.209 2.048 10 30 AEEERN Cc1ccc(C[C@@H](F)C=O)cc1F 104472293 573996673 /nfs/dbraw/zinc/99/66/73/573996673.db2.gz UOPHLVKWEYPWOH-SECBINFHSA-N 0 0 184.185 2.214 10 30 AEEERN Cc1ccccc1C[C@H](F)C=O 104469409 573996824 /nfs/dbraw/zinc/99/68/24/573996824.db2.gz ZNMRSFHLABBKMT-JTQLQIEISA-N 0 0 166.195 2.075 10 30 AEEERN CCc1ccc([C@H](C=O)N(C)C)cc1 259264867 573996873 /nfs/dbraw/zinc/99/68/73/573996873.db2.gz BWKWCMLGZNAXDH-LBPRGKRZSA-N 0 0 191.274 2.051 10 30 AEEERN CC1=CC(=O)[C@]23C=CC[C@H](C2)[C@@H]3C1 238234568 573996934 /nfs/dbraw/zinc/99/69/34/573996934.db2.gz UKJCLNALKPKFCZ-JFGNBEQYSA-N 0 0 174.243 2.488 10 30 AEEERN Cc1ccc(C[C@@H](F)C=O)cc1 104468708 573997381 /nfs/dbraw/zinc/99/73/81/573997381.db2.gz CVFPGSFHMSWTJO-SNVBAGLBSA-N 0 0 166.195 2.075 10 30 AEEERN CC1=C[C@H]2[C@@H](C1=O)[C@H]1CCC[C@@H]21 238235486 573997020 /nfs/dbraw/zinc/99/70/20/573997020.db2.gz ZIPKQOVIOKJGNT-RGOKHQFPSA-N 0 0 162.232 2.178 10 30 AEEERN Cc1cc(C)c(C(C=O)=CO)c(C)c1 104469786 573997224 /nfs/dbraw/zinc/99/72/24/573997224.db2.gz QNZIAWMXUMNBRS-UHFFFAOYSA-N 0 0 190.242 2.093 10 30 AEEERN CCC[C@@]1(C)CCC(=O)C1=O 238235700 573998397 /nfs/dbraw/zinc/99/83/97/573998397.db2.gz YGQNVMIBUUOHGX-VIFPVBQESA-N 0 0 154.209 2.208 10 30 AEEERN C#C[C@@](C)(CC)C(=O)CC 238236006 573998601 /nfs/dbraw/zinc/99/86/01/573998601.db2.gz NCXNSMXQKHBLEZ-VIFPVBQESA-N 0 0 138.210 2.015 10 30 AEEERN CC1=C[C@]23CCC[C@@]2(C)[C@@H]3C1=O 238236559 573998617 /nfs/dbraw/zinc/99/86/17/573998617.db2.gz KKBYLTQGNWULRI-DCAQKATOSA-N 0 0 162.232 2.322 10 30 AEEERN CC(C)C[C@@]1(C)CC[C@H](C#N)N1 259591175 573998740 /nfs/dbraw/zinc/99/87/40/573998740.db2.gz LHMMOYMYDHQIFZ-NXEZZACHSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1C[C@]1(C#N)C(F)(F)F 259591186 573998798 /nfs/dbraw/zinc/99/87/98/573998798.db2.gz LHQRSFFXSXCPCM-CRCLSJGQSA-N 0 0 149.115 2.098 10 30 AEEERN CC(C)C[C@]1(C)CC[C@@H](C#N)N1 259591179 573998907 /nfs/dbraw/zinc/99/89/07/573998907.db2.gz LHMMOYMYDHQIFZ-UWVGGRQHSA-N 0 0 166.268 2.067 10 30 AEEERN C=C1C[C@H]2C(=O)C(C)(C)C[C@@H]12 238236259 573998927 /nfs/dbraw/zinc/99/89/27/573998927.db2.gz XDTDFJRLARXGAB-SFYZADRCSA-N 0 0 150.221 2.178 10 30 AEEERN N#CC(=O)c1cc(Cl)ccc1F 259266668 573999127 /nfs/dbraw/zinc/99/91/27/573999127.db2.gz TVQWGCSNJZUXOX-UHFFFAOYSA-N 0 0 183.569 2.185 10 30 AEEERN CCCCC/C=C/C[C@@]1(CO)CO1 238236056 573999173 /nfs/dbraw/zinc/99/91/73/573999173.db2.gz CNCJDGPCOYSTRC-XUIVZRPNSA-N 0 0 184.279 2.274 10 30 AEEERN CCC(=O)[C@](C)(C#N)c1ccco1 238235973 573999322 /nfs/dbraw/zinc/99/93/22/573999322.db2.gz SUOCEMWUBWMQIW-JTQLQIEISA-N 0 0 177.203 2.040 10 30 AEEERN CCC[C@H]1OC=C(C)C(=O)[C@H]1C 238236319 573999336 /nfs/dbraw/zinc/99/93/36/573999336.db2.gz RFSRMRKAGDTFMZ-DTWKUNHWSA-N 0 0 168.236 2.294 10 30 AEEERN COc1c(C)cc(C)cc1[C@H](N)S 259266636 573999383 /nfs/dbraw/zinc/99/93/83/573999383.db2.gz GZWIUXQUBWEOLL-SNVBAGLBSA-N 0 0 197.303 2.199 10 30 AEEERN CC(C)C[C@@]1(C)CC[C@@H](C#N)N1 259591182 573999495 /nfs/dbraw/zinc/99/94/95/573999495.db2.gz LHMMOYMYDHQIFZ-VHSXEESVSA-N 0 0 166.268 2.067 10 30 AEEERN C=C(Cl)[C@H](O)CSCCC 238235713 573999999 /nfs/dbraw/zinc/99/99/99/573999999.db2.gz GWIRLIFTAXFSFX-SSDOTTSWSA-N 0 0 180.700 2.243 10 30 AEEERN C[C@@H]1Cc2cc(CCC=O)ccc2O1 258198760 574000002 /nfs/dbraw/zinc/00/00/02/574000002.db2.gz YCIGHIJYLCXAAO-SECBINFHSA-N 0 0 190.242 2.142 10 30 AEEERN CC(C)C[C@]1(C)CC[C@H](C#N)N1 259591184 574000045 /nfs/dbraw/zinc/00/00/45/574000045.db2.gz LHMMOYMYDHQIFZ-ZJUUUORDSA-N 0 0 166.268 2.067 10 30 AEEERN C=C[C@@H]1CC=C(C)C(=O)C1 238236919 574000143 /nfs/dbraw/zinc/00/01/43/574000143.db2.gz GIDPECBUGZAUBA-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN CCC[C@H]1OC=C(C)C(=O)[C@@H]1C 238236311 574000247 /nfs/dbraw/zinc/00/02/47/574000247.db2.gz RFSRMRKAGDTFMZ-RKDXNWHRSA-N 0 0 168.236 2.294 10 30 AEEERN CC1=CC[C@@H](CC=O)[C@@]1(C)CC#N 238237354 574002362 /nfs/dbraw/zinc/00/23/62/574002362.db2.gz ROOBPAIVEDXRON-QWRGUYRKSA-N 0 0 177.247 2.462 10 30 AEEERN CC1(C)C[C@@H](CS)CCO1 238238172 574001778 /nfs/dbraw/zinc/00/17/78/574001778.db2.gz SKJLIGMWPIERJF-ZETCQYMHSA-N 0 0 160.282 2.121 10 30 AEEERN CCC(=O)C=CNC1CCCCC1 238237537 574001789 /nfs/dbraw/zinc/00/17/89/574001789.db2.gz DGVGMFLVAQGQGF-CMDGGOBGSA-N 0 0 181.279 2.402 10 30 AEEERN CCC1=C(NCC(C)C)CCC1=O 238238457 574001803 /nfs/dbraw/zinc/00/18/03/574001803.db2.gz LOPQBYLHHKGJJG-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCC1=C(CO)[C@H](O)CC1(C)C 238238818 574001867 /nfs/dbraw/zinc/00/18/67/574001867.db2.gz IWKNLZSGAFWFOX-LLVKDONJSA-N 0 0 196.290 2.032 10 30 AEEERN Cc1c(Cl)ccc(O)c1CCC=O 258198225 574001987 /nfs/dbraw/zinc/00/19/87/574001987.db2.gz SDXIWSPPEYEJIW-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN CCN(C)c1cc(F)cc(C#N)c1 227607354 574001956 /nfs/dbraw/zinc/00/19/56/574001956.db2.gz APEOOHLNGXHMLJ-UHFFFAOYSA-N 0 0 178.210 2.153 10 30 AEEERN Cc1c(F)cc(F)cc1[C@H](N)CC#N 104475704 574001961 /nfs/dbraw/zinc/00/19/61/574001961.db2.gz DRTYPPMURFFWHH-SNVBAGLBSA-N 0 0 196.200 2.187 10 30 AEEERN Cc1cc(/C(Cl)=N\O)cc(C)c1O 104479296 574002209 /nfs/dbraw/zinc/00/22/09/574002209.db2.gz YSMZSOHLOYIELM-PKNBQFBNSA-N 0 0 199.637 2.384 10 30 AEEERN C=C[C@H](O)[C@@H]1CC=C(C)CC1 238238275 574002283 /nfs/dbraw/zinc/00/22/83/574002283.db2.gz YCDHEQIKKXZOJM-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN CCC1C(=O)C(=O)CC[C@@H]1C 238238559 574002309 /nfs/dbraw/zinc/00/23/09/574002309.db2.gz HXPOTTHQVIDCMV-LURJTMIESA-N 0 0 154.209 2.208 10 30 AEEERN C=CCNc1c(F)cc(C#N)cc1F 82285432 574003188 /nfs/dbraw/zinc/00/31/88/574003188.db2.gz ZVYYYXYDAAAZPJ-UHFFFAOYSA-N 0 0 194.184 2.434 10 30 AEEERN CC(C)CN(CCC#N)C[C@H](C)C#N 48323239 574003355 /nfs/dbraw/zinc/00/33/55/574003355.db2.gz GSPUMKVKVUEJLP-LLVKDONJSA-N 0 0 193.294 2.018 10 30 AEEERN CCC1=C(OC(C)(C)C)CC1=O 238238804 574003374 /nfs/dbraw/zinc/00/33/74/574003374.db2.gz ZEMKSYVQAPTGMM-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN N#CC[C@@H](N)c1ccsc1Cl 104486607 574003448 /nfs/dbraw/zinc/00/34/48/574003448.db2.gz GBNWQUUDVBTGCM-ZCFIWIBFSA-N 0 0 186.667 2.315 10 30 AEEERN C=C1C[C@@H]2C(=O)C(C)(C)C[C@@H]12 238237675 574003505 /nfs/dbraw/zinc/00/35/05/574003505.db2.gz XDTDFJRLARXGAB-YUMQZZPRSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1cc(C)nc(N=[N+]=[N-])n1 87667248 574003607 /nfs/dbraw/zinc/00/36/07/574003607.db2.gz MDIIHSXTIBWCRC-UHFFFAOYSA-N 0 0 149.157 2.035 10 30 AEEERN CCCC[C@H]1C[C@@]1(Cl)C=O 238245707 574004695 /nfs/dbraw/zinc/00/46/95/574004695.db2.gz XYUMRIJZOXVWCR-JGVFFNPUSA-N 0 0 160.644 2.373 10 30 AEEERN N#Cc1cccc(F)c1OCC1CC1 258198895 574004696 /nfs/dbraw/zinc/00/46/96/574004696.db2.gz YGASIDBSTXWLPC-UHFFFAOYSA-N 0 0 191.205 2.486 10 30 AEEERN C#Cc1cncc(CCC)c1 209772851 574004611 /nfs/dbraw/zinc/00/46/11/574004611.db2.gz YGQCMJRRDCIBTG-UHFFFAOYSA-N 0 0 145.205 2.015 10 30 AEEERN [N-]=[N+]=Nc1ncccc1F 87667279 574004613 /nfs/dbraw/zinc/00/46/13/574004613.db2.gz KXMHESOTSLOHLH-UHFFFAOYSA-N 0 0 138.105 2.163 10 30 AEEERN CCC1=CC(C)(C)CC1=O 238239700 574006679 /nfs/dbraw/zinc/00/66/79/574006679.db2.gz NRXZRCSJJFRHEU-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CCN(Cc1cccs1)[C@H](C)C#N 48583287 574011538 /nfs/dbraw/zinc/01/15/38/574011538.db2.gz LMSMCIMENOPEES-SECBINFHSA-N 0 0 194.303 2.482 10 30 AEEERN CCC[C@H](C)CCC#CCO 238247056 574011540 /nfs/dbraw/zinc/01/15/40/574011540.db2.gz HYJNWBYOKXHKEC-JTQLQIEISA-N 0 0 154.253 2.199 10 30 AEEERN CC#CC[C@]1(C)OC(CC)=CC1=O 238239650 574006688 /nfs/dbraw/zinc/00/66/88/574006688.db2.gz IHJMVYFVZLVKEH-NSHDSACASA-N 0 0 178.231 2.052 10 30 AEEERN C#Cc1ccncc1CCC 209772538 574006065 /nfs/dbraw/zinc/00/60/65/574006065.db2.gz YQAIMDHBAMAEEG-UHFFFAOYSA-N 0 0 145.205 2.015 10 30 AEEERN CC1=C(C)C(=O)[C@@]2(C)C[C@@]2(C)O1 238245653 574006071 /nfs/dbraw/zinc/00/60/71/574006071.db2.gz VCFJZOLLJFVYCM-NXEZZACHSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H](CC=O)c1cccc2c1COC2 258201025 574006076 /nfs/dbraw/zinc/00/60/76/574006076.db2.gz YHTQOHZQUJBWID-VIFPVBQESA-N 0 0 190.242 2.409 10 30 AEEERN CCc1ccc(C)cc1[C@@H](N)CC#N 104485295 574006166 /nfs/dbraw/zinc/00/61/66/574006166.db2.gz NGOCLKAWZANDSE-LBPRGKRZSA-N 0 0 188.274 2.471 10 30 AEEERN CCc1c(C)cccc1[C@@H](N)CC#N 104486890 574006245 /nfs/dbraw/zinc/00/62/45/574006245.db2.gz FGAKFPOALUUYNR-LBPRGKRZSA-N 0 0 188.274 2.471 10 30 AEEERN C#Cc1ccc(CC)nc1CC 209770871 574006286 /nfs/dbraw/zinc/00/62/86/574006286.db2.gz MPKVEGBLCPOPFT-UHFFFAOYSA-N 0 0 159.232 2.188 10 30 AEEERN CC1=CC[C@H]2C(=O)C=C[C@@H]2C1 238239260 574006603 /nfs/dbraw/zinc/00/66/03/574006603.db2.gz IZDDFXLICQKAKQ-RKDXNWHRSA-N 0 0 148.205 2.098 10 30 AEEERN CCC(=O)c1cc(CC#N)ccc1O 238240376 574006628 /nfs/dbraw/zinc/00/66/28/574006628.db2.gz RWJUWQMWWQFHQA-UHFFFAOYSA-N 0 0 189.214 2.051 10 30 AEEERN C=C(CC=O)Cc1cccc(OC)c1 258201947 574009017 /nfs/dbraw/zinc/00/90/17/574009017.db2.gz NLACBDIIIFDVHY-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN CC1(C)C[C@H](C=O)C1(C)C 238247191 574009109 /nfs/dbraw/zinc/00/91/09/574009109.db2.gz BKPWFRVDHAJVHM-SSDOTTSWSA-N 0 0 140.226 2.258 10 30 AEEERN [N-]=[N+]=Nc1nc2ccc(Cl)cn2n1 87667378 574009136 /nfs/dbraw/zinc/00/91/36/574009136.db2.gz WRQQXXGWFRVUJI-UHFFFAOYSA-N 0 0 194.585 2.325 10 30 AEEERN Cc1ccc(C#N)c(N=[N+]=[N-])n1 87667325 574009156 /nfs/dbraw/zinc/00/91/56/574009156.db2.gz BEPACXXRQWDXSL-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN CCOc1ncnc(N=[N+]=[N-])c1C 87667405 574008766 /nfs/dbraw/zinc/00/87/66/574008766.db2.gz WAMDMHWZZOTXRQ-UHFFFAOYSA-N 0 0 179.183 2.126 10 30 AEEERN CC(C)C1=CC(=O)[C@@H](C)S1 111345287 574008823 /nfs/dbraw/zinc/00/88/23/574008823.db2.gz STHSYEFNGPMCRF-ZCFIWIBFSA-N 0 0 156.250 2.231 10 30 AEEERN C=C[C@@H](O)CSCCCC 238247343 574008825 /nfs/dbraw/zinc/00/88/25/574008825.db2.gz SCTSVPAYQYTYFP-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN C=C[C@H](O)CSCCCC 238247062 574008904 /nfs/dbraw/zinc/00/89/04/574008904.db2.gz SCTSVPAYQYTYFP-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN CC1(C)C[C@]2(C)C(=O)C=C[C@H]12 238246208 574010052 /nfs/dbraw/zinc/01/00/52/574010052.db2.gz AVJNOTAHAZAPHK-XCBNKYQSSA-N 0 0 150.221 2.178 10 30 AEEERN CC1=C(C)C(=O)[C@]2(C)C[C@]2(C)O1 238245828 574010091 /nfs/dbraw/zinc/01/00/91/574010091.db2.gz VCFJZOLLJFVYCM-UWVGGRQHSA-N 0 0 166.220 2.048 10 30 AEEERN C=C[C@H]1CN(CC)c2ccccc2N1 238247366 574010443 /nfs/dbraw/zinc/01/04/43/574010443.db2.gz SOGVLIPIJHHJJA-JTQLQIEISA-N 0 0 188.274 2.493 10 30 AEEERN C#CC[C@@H]1C[C@H]2C[C@@H](C1=O)C2(C)C 238247073 574010460 /nfs/dbraw/zinc/01/04/60/574010460.db2.gz DXACXEJCGPUJAI-UTLUCORTSA-N 0 0 176.259 2.261 10 30 AEEERN CCc1ccc(C)cc1[C@H](N)CC#N 104491607 574010470 /nfs/dbraw/zinc/01/04/70/574010470.db2.gz NGOCLKAWZANDSE-GFCCVEGCSA-N 0 0 188.274 2.471 10 30 AEEERN Cc1ccc2c(c1)[C@H](C=O)CS2 258204199 574010521 /nfs/dbraw/zinc/01/05/21/574010521.db2.gz UUITUGXZMRJALQ-MRVPVSSYSA-N 0 0 178.256 2.383 10 30 AEEERN CC(C)(C)[S@@](=O)/N=C/c1ccoc1 104493969 574010537 /nfs/dbraw/zinc/01/05/37/574010537.db2.gz HDIBBRPEFCQVJM-PPOCWRSBSA-N 0 0 199.275 2.161 10 30 AEEERN C=C[C@@H]1C=C(C)C(=O)C1(C)C 238247367 574010638 /nfs/dbraw/zinc/01/06/38/574010638.db2.gz AKJATRREUNALMF-MRVPVSSYSA-N 0 0 150.221 2.344 10 30 AEEERN C=C(C)CC(=O)C=C(C)C 111345496 574011543 /nfs/dbraw/zinc/01/15/43/574011543.db2.gz MQSRGPLGKUWDAY-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN CC1=C(C2CCCCC2)C(=O)C[C@@H]1O 238247824 574012537 /nfs/dbraw/zinc/01/25/37/574012537.db2.gz RRWQLORUMHJSBE-JTQLQIEISA-N 0 0 194.274 2.217 10 30 AEEERN C=C1C(O)=C(C=O)[C@H]2C[C@@H]1C2(C)C 238247716 574012543 /nfs/dbraw/zinc/01/25/43/574012543.db2.gz IQSMITHVIIJVHN-QRJDUPJOSA-N 0 0 178.231 2.230 10 30 AEEERN CCO[C@H]1CCC[C@H]1CC#N 259592779 574012700 /nfs/dbraw/zinc/01/27/00/574012700.db2.gz CAOISTHHFKPIAM-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN Cc1occc1[C@@H](C#N)N1CCCC1 259593143 574012744 /nfs/dbraw/zinc/01/27/44/574012744.db2.gz FQQPRSDJFSHBBW-LLVKDONJSA-N 0 0 190.246 2.249 10 30 AEEERN N#CCc1cccc2c(CO)cccc12 238727442 574013697 /nfs/dbraw/zinc/01/36/97/574013697.db2.gz VIBSEAIZXFHVBX-UHFFFAOYSA-N 0 0 197.237 2.398 10 30 AEEERN CCc1nc2n(c1C)CCC[C@H]2C#N 259593507 574013667 /nfs/dbraw/zinc/01/36/67/574013667.db2.gz FTCRIXGIRNKCHM-VIFPVBQESA-N 0 0 189.262 2.155 10 30 AEEERN CCc1cccc2c1C=CC(=O)C2=O 104499111 574013682 /nfs/dbraw/zinc/01/36/82/574013682.db2.gz SXYCAUXHYRSOFV-UHFFFAOYSA-N 0 0 186.210 2.028 10 30 AEEERN CCO[C@H]1CCC[C@@H]1CC#N 259592773 574013734 /nfs/dbraw/zinc/01/37/34/574013734.db2.gz CAOISTHHFKPIAM-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CCC[C@H](O)C#CC(C)(C)C 238259397 574013848 /nfs/dbraw/zinc/01/38/48/574013848.db2.gz IHARRCGUSLZEND-VIFPVBQESA-N 0 0 154.253 2.197 10 30 AEEERN CCc1c(C)cccc1[C@H](N)CC#N 104495826 574013893 /nfs/dbraw/zinc/01/38/93/574013893.db2.gz FGAKFPOALUUYNR-GFCCVEGCSA-N 0 0 188.274 2.471 10 30 AEEERN CN1CCc2cc3[nH]cc(C#N)c3cc21 259593564 574014045 /nfs/dbraw/zinc/01/40/45/574014045.db2.gz FTORBCUFHDWVJL-UHFFFAOYSA-N 0 0 197.241 2.032 10 30 AEEERN CC1=C(C2CCCCC2)C(=O)C[C@H]1O 238247835 574014072 /nfs/dbraw/zinc/01/40/72/574014072.db2.gz RRWQLORUMHJSBE-SNVBAGLBSA-N 0 0 194.274 2.217 10 30 AEEERN N#CC[C@H](N)c1cccc2cc[nH]c12 104502212 574016147 /nfs/dbraw/zinc/01/61/47/574016147.db2.gz FETAUHITIUHJIM-JTQLQIEISA-N 0 0 185.230 2.081 10 30 AEEERN N#CCc1cccc2c1C(=O)CCC2 104495565 574015113 /nfs/dbraw/zinc/01/51/13/574015113.db2.gz SMQVCXBMVZQFJM-UHFFFAOYSA-N 0 0 185.226 2.272 10 30 AEEERN CCC/C(C)=C\C(C)=O 111354808 574015174 /nfs/dbraw/zinc/01/51/74/574015174.db2.gz URFGREAPSNSHAH-SREVYHEPSA-N 0 0 126.199 2.322 10 30 AEEERN C=C[C@]1(C)C(=O)[C@@H]2CC(C)=C[C@@H]21 238255494 574015193 /nfs/dbraw/zinc/01/51/93/574015193.db2.gz XFGKBBQXRKYSPI-YWVKMMECSA-N 0 0 162.232 2.344 10 30 AEEERN CC1(C)[C@@H]2CC(O)=C(C=O)[C@H]1C2 238247707 574015559 /nfs/dbraw/zinc/01/55/59/574015559.db2.gz ASLQOCFELINSBC-YRQJFVFOSA-N 0 0 166.220 2.063 10 30 AEEERN CC1=C(C)c2ccccc2C(=O)C1=O 104500189 574015607 /nfs/dbraw/zinc/01/56/07/574015607.db2.gz NEVXKINMQAUUOK-UHFFFAOYSA-N 0 0 186.210 2.245 10 30 AEEERN CC(O)=CC(=O)CC(C)C 111350441 574015715 /nfs/dbraw/zinc/01/57/15/574015715.db2.gz DUUWUNUXJISTIB-FNORWQNLSA-N 0 0 142.198 2.063 10 30 AEEERN N#CC[C@@H](N)c1coc2ccccc12 104503308 574015761 /nfs/dbraw/zinc/01/57/61/574015761.db2.gz MFEPAOMOTORZIF-SNVBAGLBSA-N 0 0 186.214 2.346 10 30 AEEERN CCOc1nc(C)c(C#N)cc1Cl 306475870 574015769 /nfs/dbraw/zinc/01/57/69/574015769.db2.gz IEKAKBPNEIPLGB-UHFFFAOYSA-N 0 0 196.637 2.314 10 30 AEEERN CC(C)NC1=CC(=O)CC(C)(C)C1 111350365 574015795 /nfs/dbraw/zinc/01/57/95/574015795.db2.gz QUODXAYIFRIATM-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN N#CC[C@@H](N)c1cccc2cc[nH]c12 104502209 574015884 /nfs/dbraw/zinc/01/58/84/574015884.db2.gz FETAUHITIUHJIM-SNVBAGLBSA-N 0 0 185.230 2.081 10 30 AEEERN Cc1ccc(C)c2c1C(=O)C=CC2=O 104500197 574016030 /nfs/dbraw/zinc/01/60/30/574016030.db2.gz SDPSBJJBXIIKLC-UHFFFAOYSA-N 0 0 186.210 2.239 10 30 AEEERN N#CC[C@H](N)c1cc2ccccc2o1 104503302 574017157 /nfs/dbraw/zinc/01/71/57/574017157.db2.gz WABOYJFXOPTDFM-VIFPVBQESA-N 0 0 186.214 2.346 10 30 AEEERN CC(C)=C/C=N/[S@@](=O)C(C)(C)C 104503470 574017017 /nfs/dbraw/zinc/01/70/17/574017017.db2.gz LSTVGEMAXJNIDW-OFFHKIPUSA-N 0 0 187.308 2.486 10 30 AEEERN C/C=C(C)/C=N/[S@](=O)C(C)(C)C 104502439 574017071 /nfs/dbraw/zinc/01/70/71/574017071.db2.gz SOBLFAWEMRDWIQ-PYPSYJNGSA-N 0 0 187.308 2.486 10 30 AEEERN N#CC[C@@H](N)c1cc2ccccc2o1 104503298 574017374 /nfs/dbraw/zinc/01/73/74/574017374.db2.gz WABOYJFXOPTDFM-SECBINFHSA-N 0 0 186.214 2.346 10 30 AEEERN CC(C)=C/C=N/[S@](=O)C(C)(C)C 104503475 574017568 /nfs/dbraw/zinc/01/75/68/574017568.db2.gz LSTVGEMAXJNIDW-PMDBQALLSA-N 0 0 187.308 2.486 10 30 AEEERN N#CC1(CO)CCCCCCC1 87690377 574019183 /nfs/dbraw/zinc/01/91/83/574019183.db2.gz DYXJBANPDXKZPI-UHFFFAOYSA-N 0 0 167.252 2.233 10 30 AEEERN C=CCC(=O)[C@@H]1CCCS1 87701154 574019310 /nfs/dbraw/zinc/01/93/10/574019310.db2.gz VJZQORCHVXTHJZ-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN CC(C)(C#N)Cc1ccc[nH]1 259274249 574019381 /nfs/dbraw/zinc/01/93/81/574019381.db2.gz YKZWSVKSFGTNCQ-UHFFFAOYSA-N 0 0 148.209 2.107 10 30 AEEERN C#Cc1ccc2c(c1)CCCC2=O 104509502 574019406 /nfs/dbraw/zinc/01/94/06/574019406.db2.gz RTPFGZNDMYXKNN-UHFFFAOYSA-N 0 0 170.211 2.187 10 30 AEEERN C[C@H](O)CCc1ccc(CC#N)cc1 259278026 574023025 /nfs/dbraw/zinc/02/30/25/574023025.db2.gz CBPMQLSCANWNPT-JTQLQIEISA-N 0 0 189.258 2.066 10 30 AEEERN C[C@H](C#N)Oc1ccc2[nH]ccc2c1 87723392 574023172 /nfs/dbraw/zinc/02/31/72/574023172.db2.gz FJQJGMXZFIXGBF-MRVPVSSYSA-N 0 0 186.214 2.459 10 30 AEEERN CCC1([C@H](C#N)NC2CC2)CCC1 686133467 574023305 /nfs/dbraw/zinc/02/33/05/574023305.db2.gz OTGDVYLBUDTWFV-JTQLQIEISA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H](O)CCc1ccc(CC#N)cc1 259278028 574023311 /nfs/dbraw/zinc/02/33/11/574023311.db2.gz CBPMQLSCANWNPT-SNVBAGLBSA-N 0 0 189.258 2.066 10 30 AEEERN N#Cc1cc(Cl)cc2c1CCC2=O 104513748 574023427 /nfs/dbraw/zinc/02/34/27/574023427.db2.gz RZFLGYPJBKVFAP-UHFFFAOYSA-N 0 0 191.617 2.341 10 30 AEEERN CC(C)=CC(=O)[C@]1(C)CCCCO1 87761558 574024824 /nfs/dbraw/zinc/02/48/24/574024824.db2.gz PHIWJAIUYOVEQL-NSHDSACASA-N 0 0 182.263 2.481 10 30 AEEERN N#CCOc1ccc2[nH]ccc2c1 87723415 574024271 /nfs/dbraw/zinc/02/42/71/574024271.db2.gz ZZQVQUHINYPSFX-UHFFFAOYSA-N 0 0 172.187 2.070 10 30 AEEERN Cn1cc(Cc2ccccc2)cc1C#N 259278947 574024352 /nfs/dbraw/zinc/02/43/52/574024352.db2.gz SWSFIIMBCQNIJS-UHFFFAOYSA-N 0 0 196.253 2.488 10 30 AEEERN C/C=C/C1=CC(=O)CC[C@@H]1C 223740256 574024412 /nfs/dbraw/zinc/02/44/12/574024412.db2.gz GILZAMTUQDVQLK-RTMURIBGSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1ccc([C@H](C)CC=O)cc1N 259277995 574024432 /nfs/dbraw/zinc/02/44/32/574024432.db2.gz CBHARIMEODJORO-MRVPVSSYSA-N 0 0 177.247 2.270 10 30 AEEERN CC(C)(O)c1ccccc1CCC=O 259277923 574024515 /nfs/dbraw/zinc/02/45/15/574024515.db2.gz BHHNYYNQMJOIPY-UHFFFAOYSA-N 0 0 192.258 2.046 10 30 AEEERN C=C(CO)C[C@@]1(C)CCC[C@@H](C)C1=O 211438688 574024567 /nfs/dbraw/zinc/02/45/67/574024567.db2.gz CJUHLOYWAZFCNU-ZYHUDNBSSA-N 0 0 196.290 2.320 10 30 AEEERN CCN[C@]1(C#N)CCC(C)(C)C1 87772642 574027505 /nfs/dbraw/zinc/02/75/05/574027505.db2.gz CIKLEIDXFBSUAP-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CSc1ccccc1[C@H](N)CC#N 104519048 574025718 /nfs/dbraw/zinc/02/57/18/574025718.db2.gz YQXXUMNPNDQQLQ-SECBINFHSA-N 0 0 192.287 2.322 10 30 AEEERN C=CCN[C@@]1(C#N)CCC(C)(C)C1 87772705 574027511 /nfs/dbraw/zinc/02/75/11/574027511.db2.gz XLYJKCJELDRWGC-NSHDSACASA-N 0 0 178.279 2.234 10 30 AEEERN C=C(C)C(=O)[C@@]1(C)CCCCO1 87761408 574026104 /nfs/dbraw/zinc/02/61/04/574026104.db2.gz WMMPXHAJSSPSGM-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CC(C)=CC(=O)[C@@]1(C)CCCCO1 87761560 574026293 /nfs/dbraw/zinc/02/62/93/574026293.db2.gz PHIWJAIUYOVEQL-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN C=CCCCOc1cccc(N)n1 87731905 574026406 /nfs/dbraw/zinc/02/64/06/574026406.db2.gz QZUBQNBBNDJWJK-UHFFFAOYSA-N 0 0 178.235 2.009 10 30 AEEERN CCCCCC[C@H](C)NCC#N 49202856 574026637 /nfs/dbraw/zinc/02/66/37/574026637.db2.gz GOIRUYORHGJCPB-JTQLQIEISA-N 0 0 168.284 2.458 10 30 AEEERN O=C(C[C@@H]1CC[C@@H]2C[C@H]12)C1=CCCO1 716939521 574026819 /nfs/dbraw/zinc/02/68/19/574026819.db2.gz DCQCSJOZKZYSLU-UTLUCORTSA-N 0 0 192.258 2.296 10 30 AEEERN CCCCCC[C@@H](C)NCC#N 49202852 574026828 /nfs/dbraw/zinc/02/68/28/574026828.db2.gz GOIRUYORHGJCPB-SNVBAGLBSA-N 0 0 168.284 2.458 10 30 AEEERN CCN[C@@]1(C#N)CCC(C)(C)C1 87772643 574026941 /nfs/dbraw/zinc/02/69/41/574026941.db2.gz CIKLEIDXFBSUAP-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)N[C@@]1(C#N)CCC(C)(C)C1 87772647 574026948 /nfs/dbraw/zinc/02/69/48/574026948.db2.gz TZBKIVUIKKTGLY-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN N#Cc1cc(C(F)(F)F)ns1 259280247 574026991 /nfs/dbraw/zinc/02/69/91/574026991.db2.gz ACJBMPJQLKRRDN-UHFFFAOYSA-N 0 0 178.138 2.034 10 30 AEEERN CC(C)[C@@H]1CCC(=O)[C@@]1(C)CC=O 223766201 574028946 /nfs/dbraw/zinc/02/89/46/574028946.db2.gz OOCOGLHHNVSEOH-ONGXEEELSA-N 0 0 182.263 2.217 10 30 AEEERN O=C(C[C@@H]1CC[C@H]2C[C@@H]12)C1=CCCO1 716939518 574027154 /nfs/dbraw/zinc/02/71/54/574027154.db2.gz DCQCSJOZKZYSLU-LPEHRKFASA-N 0 0 192.258 2.296 10 30 AEEERN CC1(C)CC[C@@](C#N)(NCC2CC2)C1 87772682 574027383 /nfs/dbraw/zinc/02/73/83/574027383.db2.gz SYADDWKSNMLKSJ-GFCCVEGCSA-N 0 0 192.306 2.458 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCC(C)(C)C1 87773899 574028949 /nfs/dbraw/zinc/02/89/49/574028949.db2.gz ZBIMBIVVKKOHBL-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN CC1(C)CC[C@@](C#N)(NC2CC2)C1 87772648 574028528 /nfs/dbraw/zinc/02/85/28/574028528.db2.gz URJFDACBOIWCAA-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN Cc1ccc(-c2nc(C#N)c[nH]2)cc1 39038838 574028551 /nfs/dbraw/zinc/02/85/51/574028551.db2.gz XMGKCOYPMGTYSQ-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C#Cc1cccc(NCC2(C#N)CC2)c1 308827265 574028572 /nfs/dbraw/zinc/02/85/72/574028572.db2.gz IFGINBFUAWYGIO-UHFFFAOYSA-N 0 0 196.253 2.384 10 30 AEEERN CC(C)[C@H]1CCC(=O)[C@@]1(C)CC=O 223766235 574028588 /nfs/dbraw/zinc/02/85/88/574028588.db2.gz OOCOGLHHNVSEOH-KOLCDFICSA-N 0 0 182.263 2.217 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCC(C)(C)C1 87773898 574028676 /nfs/dbraw/zinc/02/86/76/574028676.db2.gz ZBIMBIVVKKOHBL-SCZZXKLOSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)[C@H]1CCC(=O)[C@]1(C)CC=O 223766315 574028752 /nfs/dbraw/zinc/02/87/52/574028752.db2.gz OOCOGLHHNVSEOH-MWLCHTKSSA-N 0 0 182.263 2.217 10 30 AEEERN CC[C@@H](C#N)[C@]1(O)CCC(C)(C)C1 87773907 574028835 /nfs/dbraw/zinc/02/88/35/574028835.db2.gz JTOQPUMTXUOZOM-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C#N)[C@H](c1cc[nH]c1)N(C)C 259281863 574028861 /nfs/dbraw/zinc/02/88/61/574028861.db2.gz VBLBYSXUVWDELB-MWLCHTKSSA-N 0 0 191.278 2.167 10 30 AEEERN CC(=O)/C(C)=N/c1ccccc1O 111936255 574029941 /nfs/dbraw/zinc/02/99/41/574029941.db2.gz XDYQYOIUHPBDIB-YRNVUSSQSA-N 0 0 177.203 2.074 10 30 AEEERN CC[C@@H](C#N)[C@H](c1cc[nH]c1)N(C)C 259281858 574030085 /nfs/dbraw/zinc/03/00/85/574030085.db2.gz VBLBYSXUVWDELB-GXSJLCMTSA-N 0 0 191.278 2.167 10 30 AEEERN CC(C)(C)CC(F)(F)C=O 258467132 574030121 /nfs/dbraw/zinc/03/01/21/574030121.db2.gz HUXSOYCKKRHZCS-UHFFFAOYSA-N 0 0 150.168 2.257 10 30 AEEERN CC1(C)CC[C@]2(CC(=O)C=CO2)C1 87773611 574030160 /nfs/dbraw/zinc/03/01/60/574030160.db2.gz RLFBYFRXOHIHQN-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN CCS[C@@H](C#N)C(C)C 85289857 574030223 /nfs/dbraw/zinc/03/02/23/574030223.db2.gz IOZPETZHFJCTQQ-ZETCQYMHSA-N 0 0 143.255 2.288 10 30 AEEERN N#CCc1ccc(NCCF)cc1 87775063 574030663 /nfs/dbraw/zinc/03/06/63/574030663.db2.gz ATDFHJWEFBZRLU-UHFFFAOYSA-N 0 0 178.210 2.134 10 30 AEEERN N#Cc1cc(-c2ccccn2)ns1 259286763 574030821 /nfs/dbraw/zinc/03/08/21/574030821.db2.gz ANBSCUNSIZETJT-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN C[NH2+][C@@H](CCC#N)c1cccs1 259286477 574030861 /nfs/dbraw/zinc/03/08/61/574030861.db2.gz INWYIPARIDJNOW-QMMMGPOBSA-N 0 0 180.276 2.312 10 30 AEEERN CC(C)[C@@H](C#N)Cc1cc[nH]c1 259285509 574031098 /nfs/dbraw/zinc/03/10/98/574031098.db2.gz JLNVGXKWJPSGPV-SNVBAGLBSA-N 0 0 162.236 2.353 10 30 AEEERN CC(C)[C@H](C#N)Cc1cc[nH]c1 259285508 574031291 /nfs/dbraw/zinc/03/12/91/574031291.db2.gz JLNVGXKWJPSGPV-JTQLQIEISA-N 0 0 162.236 2.353 10 30 AEEERN C[NH2+][C@H](CCC#N)c1cccs1 259286475 574031372 /nfs/dbraw/zinc/03/13/72/574031372.db2.gz INWYIPARIDJNOW-MRVPVSSYSA-N 0 0 180.276 2.312 10 30 AEEERN Cc1cnc2oc(C#N)cc2c1C 259290410 574035075 /nfs/dbraw/zinc/03/50/75/574035075.db2.gz HUYVKQOTLBOBBF-UHFFFAOYSA-N 0 0 172.187 2.316 10 30 AEEERN C[C@@H](C#N)OCCC(C)(C)C 85319417 574035079 /nfs/dbraw/zinc/03/50/79/574035079.db2.gz SAZZJVNFDRVNJQ-QMMMGPOBSA-N 0 0 155.241 2.351 10 30 AEEERN CC[C@@H](C)Oc1cc(C)ncc1C#N 306954748 574035143 /nfs/dbraw/zinc/03/51/43/574035143.db2.gz OWZXKWXXLYQAOC-SECBINFHSA-N 0 0 190.246 2.439 10 30 AEEERN C[C@H](C#N)OCCC(C)(C)C 85319418 574034833 /nfs/dbraw/zinc/03/48/33/574034833.db2.gz SAZZJVNFDRVNJQ-MRVPVSSYSA-N 0 0 155.241 2.351 10 30 AEEERN Cc1cc(C(C)C)cnc1C#N 220331868 574034845 /nfs/dbraw/zinc/03/48/45/574034845.db2.gz QKRMPWNHRXVDIE-UHFFFAOYSA-N 0 0 160.220 2.385 10 30 AEEERN N#CC1(Cc2ccc[nH]2)CCC1 259288807 574035292 /nfs/dbraw/zinc/03/52/92/574035292.db2.gz ZSRSTIKKNUQSIO-UHFFFAOYSA-N 0 0 160.220 2.251 10 30 AEEERN C=CC1CCN(C(C)(C)C#N)CC1 306958606 574035304 /nfs/dbraw/zinc/03/53/04/574035304.db2.gz VZAUZNPBCGLLAS-UHFFFAOYSA-N 0 0 178.279 2.187 10 30 AEEERN CC(C)=CC(=O)CCOC1CCC1 716966218 574036004 /nfs/dbraw/zinc/03/60/04/574036004.db2.gz SVYZBNTXTYVIFO-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN COCCc1cccc(CCC=O)c1 259288135 574036007 /nfs/dbraw/zinc/03/60/07/574036007.db2.gz BULNKKOBLDCQRI-UHFFFAOYSA-N 0 0 192.258 2.007 10 30 AEEERN C=CCCC[C@H](O)C[C@H](C)OC 128214163 574037238 /nfs/dbraw/zinc/03/72/38/574037238.db2.gz HNGGVQIOAFEZOO-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN N#Cc1ccc2scc(N)c2c1C#N 306966913 574037282 /nfs/dbraw/zinc/03/72/82/574037282.db2.gz MDTIQOIRJMSGJT-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CC[C@H]1CCCC/C1=N/O 112434825 574037415 /nfs/dbraw/zinc/03/74/15/574037415.db2.gz HTRMWUORSYXIAP-RDONPILCSA-N 0 0 141.214 2.417 10 30 AEEERN C[C@H](Cn1cc(C#N)cn1)C1CCC1 306973966 574037380 /nfs/dbraw/zinc/03/73/80/574037380.db2.gz VYMGKFJYLVFZDE-SECBINFHSA-N 0 0 189.262 2.191 10 30 AEEERN CC(C)Cc1cc(C#N)sn1 259290753 574037455 /nfs/dbraw/zinc/03/74/55/574037455.db2.gz AXUGZDXYNHQYFU-UHFFFAOYSA-N 0 0 166.249 2.213 10 30 AEEERN C[C@@H](CC#N)NN1[C@@H](C)CCC[C@H]1C 112463439 574037464 /nfs/dbraw/zinc/03/74/64/574037464.db2.gz YLZFDZICSNAPIB-GARJFASQSA-N 0 0 195.310 2.056 10 30 AEEERN CCC[C@@H](CC=O)[C@@H](C)F 258470526 574037678 /nfs/dbraw/zinc/03/76/78/574037678.db2.gz IDRGVMBPGDKGMZ-SFYZADRCSA-N 0 0 146.205 2.350 10 30 AEEERN CN(c1ccncc1C#N)C(C)(C)C 306962792 574037748 /nfs/dbraw/zinc/03/77/48/574037748.db2.gz GSFMYIJVNMWHTF-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN C=CCCC[C@@H](O)C[C@H](C)OC 128213744 574037800 /nfs/dbraw/zinc/03/78/00/574037800.db2.gz HNGGVQIOAFEZOO-VHSXEESVSA-N 0 0 172.268 2.129 10 30 AEEERN C=CCCC[C@H](O)C[C@@H](C)OC 128214377 574038140 /nfs/dbraw/zinc/03/81/40/574038140.db2.gz HNGGVQIOAFEZOO-ZJUUUORDSA-N 0 0 172.268 2.129 10 30 AEEERN CC(O)=CC(=O)C(C)(C)C 100221406 574038167 /nfs/dbraw/zinc/03/81/67/574038167.db2.gz ADKXSDNPFKCVRC-ALCCZGGFSA-N 0 0 142.198 2.063 10 30 AEEERN CC[C@@H](NCC#N)c1cccs1 49530748 574040262 /nfs/dbraw/zinc/04/02/62/574040262.db2.gz XDJVVGMGHFFZMB-MRVPVSSYSA-N 0 0 180.276 2.312 10 30 AEEERN CSc1nc2cccc(C#N)c2o1 306983363 574040345 /nfs/dbraw/zinc/04/03/45/574040345.db2.gz STZDMRQKTJWAOM-UHFFFAOYSA-N 0 0 190.227 2.421 10 30 AEEERN CCCC1CCC(NCC#N)CC1 49545475 574040659 /nfs/dbraw/zinc/04/06/59/574040659.db2.gz XZTAEQMJMOIXBF-UHFFFAOYSA-N 0 0 180.295 2.458 10 30 AEEERN Cc1ccc([C@@H](C#N)c2ncc[nH]2)cc1 259294697 574042363 /nfs/dbraw/zinc/04/23/63/574042363.db2.gz WMANKBQLMXJWCJ-LLVKDONJSA-N 0 0 197.241 2.374 10 30 AEEERN Cc1c(C#N)ccc2cccnc12 220969360 574042469 /nfs/dbraw/zinc/04/24/69/574042469.db2.gz KBXNBSLIDPSVPZ-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN CN1CCc2cc(C3(C#N)CC3)ccc21 259297288 574042665 /nfs/dbraw/zinc/04/26/65/574042665.db2.gz UVVTWJIAIBJOED-UHFFFAOYSA-N 0 0 198.269 2.234 10 30 AEEERN CC#CCC[C@@H](O)CCCC 161019943 574042691 /nfs/dbraw/zinc/04/26/91/574042691.db2.gz IYGZDQSNJDPXBS-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN N#C[C@H](F)C1CCCC1 259295575 574042740 /nfs/dbraw/zinc/04/27/40/574042740.db2.gz MYYUWZJUWVDSGQ-ZETCQYMHSA-N 0 0 127.162 2.038 10 30 AEEERN CC(C)C(CN(C)CC#N)C(C)C 388681360 574042920 /nfs/dbraw/zinc/04/29/20/574042920.db2.gz AFOMSBVMOLASIZ-UHFFFAOYSA-N 0 0 182.311 2.370 10 30 AEEERN Cc1cc2sc(C#N)cc2[nH]1 259296950 574043210 /nfs/dbraw/zinc/04/32/10/574043210.db2.gz BHKPOVWWXOIESL-UHFFFAOYSA-N 0 0 162.217 2.410 10 30 AEEERN C/C=N/OCc1ccccc1 113189018 574046873 /nfs/dbraw/zinc/04/68/73/574046873.db2.gz WXGOLMICHIGDMF-WTDSWWLTSA-N 0 0 149.193 2.209 10 30 AEEERN C#CCCC(=O)[C@@H](CCC)OCC 131827391 574046893 /nfs/dbraw/zinc/04/68/93/574046893.db2.gz LDSCNJBXMXMLGI-LLVKDONJSA-N 0 0 182.263 2.174 10 30 AEEERN C[C@@H]1CCC=C[C@@]1(C)C=O 113233939 574046909 /nfs/dbraw/zinc/04/69/09/574046909.db2.gz SRIZYAYLDKGIHN-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(CC#N)cc1N(C)C 259301551 574047078 /nfs/dbraw/zinc/04/70/78/574047078.db2.gz DQQZPXYOIKEINE-UHFFFAOYSA-N 0 0 174.247 2.127 10 30 AEEERN CC(C)c1ccc(C#N)cc1N 113138533 574045478 /nfs/dbraw/zinc/04/54/78/574045478.db2.gz OZBIGAGKOPOYEG-UHFFFAOYSA-N 0 0 160.220 2.264 10 30 AEEERN C=CC/C=C(/C)CCC=O 209676214 574045870 /nfs/dbraw/zinc/04/58/70/574045870.db2.gz LMNOFCNYSARMCZ-TWGQIWQCSA-N 0 0 138.210 2.488 10 30 AEEERN C[C@H](CC#N)CNC(=O)OC(C)(C)C 113085426 574046090 /nfs/dbraw/zinc/04/60/90/574046090.db2.gz UPCJMLYNDFQJKG-MRVPVSSYSA-N 0 0 198.266 2.061 10 30 AEEERN O=CC/C=C\Cc1ccccc1 113112995 574046115 /nfs/dbraw/zinc/04/61/15/574046115.db2.gz MIFTWQGGNCGASO-DJWKRKHSSA-N 0 0 160.216 2.374 10 30 AEEERN COCOc1ccc(C#N)c(Cl)c1 220991026 574046147 /nfs/dbraw/zinc/04/61/47/574046147.db2.gz GCBXUHPGBYFZAY-UHFFFAOYSA-N 0 0 197.621 2.194 10 30 AEEERN C[C@H](C=O)Oc1ccc(Cl)cc1 113117721 574046303 /nfs/dbraw/zinc/04/63/03/574046303.db2.gz MLRUKMXWLQIWCD-SSDOTTSWSA-N 0 0 184.622 2.306 10 30 AEEERN CN(C)c1cc(CCC=O)ccc1F 259301116 574046559 /nfs/dbraw/zinc/04/65/59/574046559.db2.gz CNDVRGGHXXILNR-UHFFFAOYSA-N 0 0 195.237 2.023 10 30 AEEERN C=CCN(C)C(=O)Oc1ccccc1 113093211 574046563 /nfs/dbraw/zinc/04/65/63/574046563.db2.gz ZYZFJGITOIYPMD-UHFFFAOYSA-N 0 0 191.230 2.303 10 30 AEEERN CC1=C(c2ccccc2N)C(=O)CC1 113067471 574046566 /nfs/dbraw/zinc/04/65/66/574046566.db2.gz HGDMBIPBPHVZSC-UHFFFAOYSA-N 0 0 187.242 2.405 10 30 AEEERN C[C@@H](C=O)Oc1ccc(Cl)cc1 113117724 574046571 /nfs/dbraw/zinc/04/65/71/574046571.db2.gz MLRUKMXWLQIWCD-ZETCQYMHSA-N 0 0 184.622 2.306 10 30 AEEERN O=CC/C=C\c1ccccc1 113113745 574046629 /nfs/dbraw/zinc/04/66/29/574046629.db2.gz ZHOXGILWMHZMGW-YWEYNIOJSA-N 0 0 146.189 2.289 10 30 AEEERN C[C@H]1CCC=C[C@@]1(C)C=O 113233941 574047010 /nfs/dbraw/zinc/04/70/10/574047010.db2.gz SRIZYAYLDKGIHN-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN CO/N=C1/CCc2c(F)cccc21 113228925 574047299 /nfs/dbraw/zinc/04/72/99/574047299.db2.gz LPUAETLTKJFIPT-BENRWUELSA-N 0 0 179.194 2.122 10 30 AEEERN CC12[C@H]3CC(C[C@H]31)[C@]2(C)CC=O 14614799 574413574 /nfs/dbraw/zinc/41/35/74/574413574.db2.gz WTFMBIIXZCPCMT-OIYZBFHHSA-N 0 0 164.248 2.258 10 30 endogenous,in-man AEEERN C=CCCc1ccccc1NC(N)=O 669727766 486734320 /nfs/dbraw/zinc/73/43/20/486734320.db2.gz WLMBMIRMZICHNO-UHFFFAOYSA-N 0 0 190.246 2.296 10 30 AEEERN C=CCCCCNC(=O)N[C@@H]1C[C@H]1C 671212270 486744102 /nfs/dbraw/zinc/74/41/02/486744102.db2.gz ZHWZBPFTFBEIAZ-NXEZZACHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC[C@@H](CC)NC(=O)N[C@@H]1C[C@H]1C 671213944 486744414 /nfs/dbraw/zinc/74/44/14/486744414.db2.gz VTXBWPFZGQBGCP-OPRDCNLKSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H]1C 671213943 486744438 /nfs/dbraw/zinc/74/44/38/486744438.db2.gz VTXBWPFZGQBGCP-KXUCPTDWSA-N 0 0 196.294 2.049 10 30 AEEERN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1C 671238332 486745602 /nfs/dbraw/zinc/74/56/02/486745602.db2.gz VZEGXAHUFCNUMG-MWLCHTKSSA-N 0 0 193.290 2.279 10 30 AEEERN C=CCC1(C(=O)N[C@@H]2C[C@H]2C)CCC1 671288285 486746356 /nfs/dbraw/zinc/74/63/56/486746356.db2.gz LFMTZBVDFKZHKB-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 671628404 486749404 /nfs/dbraw/zinc/74/94/04/486749404.db2.gz RSXHQCIEGMHHGO-NSHDSACASA-N 0 0 191.278 2.123 10 30 AEEERN C=CCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 671628403 486749764 /nfs/dbraw/zinc/74/97/64/486749764.db2.gz RSXHQCIEGMHHGO-LLVKDONJSA-N 0 0 191.278 2.123 10 30 AEEERN C=C(C)CCOc1coc(C)cc1=O 671655317 486751496 /nfs/dbraw/zinc/75/14/96/486751496.db2.gz DSOOKLKFDXIQAD-UHFFFAOYSA-N 0 0 194.230 2.293 10 30 AEEERN C=C(C)CCOc1c(C)nn(C)c1C 671655125 486751892 /nfs/dbraw/zinc/75/18/92/486751892.db2.gz VARHLBYKRLUFCW-UHFFFAOYSA-N 0 0 194.278 2.382 10 30 AEEERN C=C(C)CCOc1cccnc1OC 671655312 486751942 /nfs/dbraw/zinc/75/19/42/486751942.db2.gz WPYWDHNQXYVFGL-UHFFFAOYSA-N 0 0 193.246 2.435 10 30 AEEERN C=C(C)CCn1nc(CC)nc1CC 671655102 486752374 /nfs/dbraw/zinc/75/23/74/486752374.db2.gz LSGQVEUSISEYGZ-UHFFFAOYSA-N 0 0 193.294 2.369 10 30 AEEERN CC#CCCCC(=O)N[C@H]1CC[C@H]1C 672344706 486765604 /nfs/dbraw/zinc/76/56/04/486765604.db2.gz JAZNRZROXPRVMS-MNOVXSKESA-N 0 0 193.290 2.095 10 30 AEEERN CC#CCCCC(=O)N[C@H]1CC[C@@H]1C 672344707 486765345 /nfs/dbraw/zinc/76/53/45/486765345.db2.gz JAZNRZROXPRVMS-QWRGUYRKSA-N 0 0 193.290 2.095 10 30 AEEERN CC#CCCCC(=O)N[C@@H]1CC[C@H]1C 672344705 486765469 /nfs/dbraw/zinc/76/54/69/486765469.db2.gz JAZNRZROXPRVMS-GHMZBOCLSA-N 0 0 193.290 2.095 10 30 AEEERN CC#CCCCC(=O)N[C@@H]1CC[C@@H]1C 672344708 486765795 /nfs/dbraw/zinc/76/57/95/486765795.db2.gz JAZNRZROXPRVMS-WDEREUQCSA-N 0 0 193.290 2.095 10 30 AEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H]1C 672424771 486767035 /nfs/dbraw/zinc/76/70/35/486767035.db2.gz UXZRNMDSLJRJTF-LPEHRKFASA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CC[C@H]1C 672424770 486767473 /nfs/dbraw/zinc/76/74/73/486767473.db2.gz UXZRNMDSLJRJTF-KXUCPTDWSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@H](C)NC(=O)N[C@H]1CC[C@@H]1C 672424769 486767497 /nfs/dbraw/zinc/76/74/97/486767497.db2.gz UXZRNMDSLJRJTF-GUBZILKMSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@H](C)NC(=O)N[C@H]1CC[C@H]1C 672424772 486767535 /nfs/dbraw/zinc/76/75/35/486767535.db2.gz UXZRNMDSLJRJTF-UTLUCORTSA-N 0 0 196.294 2.049 10 30 AEEERN C=CCCCNC(=O)N[C@@H]1CC[C@@H]1C 672515247 486768077 /nfs/dbraw/zinc/76/80/77/486768077.db2.gz VOGCGIKMCYIRHM-VHSXEESVSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCCNC(=O)N[C@@H]1CC[C@H]1C 672515245 486768106 /nfs/dbraw/zinc/76/81/06/486768106.db2.gz VOGCGIKMCYIRHM-NXEZZACHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCCNC(=O)N[C@H]1CC[C@@H]1C 672515246 486768271 /nfs/dbraw/zinc/76/82/71/486768271.db2.gz VOGCGIKMCYIRHM-UWVGGRQHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCCNC(=O)N[C@H]1CC[C@H]1C 672515248 486768744 /nfs/dbraw/zinc/76/87/44/486768744.db2.gz VOGCGIKMCYIRHM-ZJUUUORDSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCN(C)C(=O)N[C@@H]1CC[C@@H]1C 672581325 486769624 /nfs/dbraw/zinc/76/96/24/486769624.db2.gz AOYASQPEBQPTGY-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCN(C)C(=O)N[C@@H]1CC[C@H]1C 672581323 486769764 /nfs/dbraw/zinc/76/97/64/486769764.db2.gz AOYASQPEBQPTGY-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCN(C)C(=O)N[C@H]1CC[C@@H]1C 672581324 486769941 /nfs/dbraw/zinc/76/99/41/486769941.db2.gz AOYASQPEBQPTGY-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCN(C)C(=O)N[C@H]1CC[C@H]1C 672581326 486770152 /nfs/dbraw/zinc/77/01/52/486770152.db2.gz AOYASQPEBQPTGY-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H]1C 673078827 486771563 /nfs/dbraw/zinc/77/15/63/486771563.db2.gz MKHQQZNTHFQKSJ-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCC(=O)NCCC1(F)CCC1 673310309 486772609 /nfs/dbraw/zinc/77/26/09/486772609.db2.gz JZLYIDGHVNOSND-UHFFFAOYSA-N 0 0 199.269 2.351 10 30 AEEERN CC#CCNC(=O)CC1(C)CCCC1 673607929 486773995 /nfs/dbraw/zinc/77/39/95/486773995.db2.gz ZKEPXBSSYJDAJJ-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C=C(C)CN(C)Cc1nccs1 673755299 486777612 /nfs/dbraw/zinc/77/76/12/486777612.db2.gz DWCGPBWGDXTDBB-UHFFFAOYSA-N 0 0 182.292 2.151 10 30 AEEERN C=CCCCN(C)C(=O)[C@@H](C)C1CC1 673898862 486779582 /nfs/dbraw/zinc/77/95/82/486779582.db2.gz ARAFZSMSJIXTRK-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCN(C)C(=O)[C@H](C)C1CC1 673898863 486779622 /nfs/dbraw/zinc/77/96/22/486779622.db2.gz ARAFZSMSJIXTRK-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCNC(=O)N(CC)C[C@@H](C)CC 673959145 486783403 /nfs/dbraw/zinc/78/34/03/486783403.db2.gz NPHHKMLQFMOIPO-JTQLQIEISA-N 0 0 198.310 2.250 10 30 AEEERN C=CCNC(=O)N(CC)C[C@H](C)CC 673959147 486783614 /nfs/dbraw/zinc/78/36/14/486783614.db2.gz NPHHKMLQFMOIPO-SNVBAGLBSA-N 0 0 198.310 2.250 10 30 AEEERN C=CCCOc1cccc(CO)c1 70592783 486786932 /nfs/dbraw/zinc/78/69/32/486786932.db2.gz GDPRSQNFKFKAEO-UHFFFAOYSA-N 0 0 178.231 2.134 10 30 AEEERN C=CCCn1ccnc1CCC 70595702 486787654 /nfs/dbraw/zinc/78/76/54/486787654.db2.gz DWNZFNCBAVNYSX-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN CC#CCN[C@H](CC)c1nccs1 70634256 486790631 /nfs/dbraw/zinc/79/06/31/486790631.db2.gz OJDFVXXAGYWZSB-SECBINFHSA-N 0 0 194.303 2.207 10 30 AEEERN CC#CCN[C@@H](CC)c1nccs1 70634255 486791000 /nfs/dbraw/zinc/79/10/00/486791000.db2.gz OJDFVXXAGYWZSB-VIFPVBQESA-N 0 0 194.303 2.207 10 30 AEEERN CC#CCN[C@@H](C)c1nc(C)cs1 70634573 486791487 /nfs/dbraw/zinc/79/14/87/486791487.db2.gz NKKDYMSTTVGBOJ-VIFPVBQESA-N 0 0 194.303 2.125 10 30 AEEERN CC#CCN[C@H](C)c1nc(C)cs1 70634574 486791497 /nfs/dbraw/zinc/79/14/97/486791497.db2.gz NKKDYMSTTVGBOJ-SECBINFHSA-N 0 0 194.303 2.125 10 30 AEEERN C=CCNC(=O)N(C)[C@@H](C)C1(C)CC1 674487392 486804089 /nfs/dbraw/zinc/80/40/89/486804089.db2.gz GRFCUYQHPOAPFT-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)N(C)[C@H](C)C1(C)CC1 674487390 486804138 /nfs/dbraw/zinc/80/41/38/486804138.db2.gz GRFCUYQHPOAPFT-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCOc1cccc(N(C)C)c1 82186785 486807031 /nfs/dbraw/zinc/80/70/31/486807031.db2.gz AFISXISSCKIQIW-UHFFFAOYSA-N 0 0 177.247 2.317 10 30 AEEERN C=CCN(CC=C)Cc1cc(C)on1 674709159 486809531 /nfs/dbraw/zinc/80/95/31/486809531.db2.gz DPFZUENNRUVSPV-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN C=CCCC(=O)N1CC[C@H](C(C)C)C1 674810458 486812836 /nfs/dbraw/zinc/81/28/36/486812836.db2.gz JIFILCRIPQTSJM-NSHDSACASA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCC(=O)N1CC[C@@H](C(C)C)C1 674810456 486812988 /nfs/dbraw/zinc/81/29/88/486812988.db2.gz JIFILCRIPQTSJM-LLVKDONJSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(CCCO)c1ccccc1 674870605 486820247 /nfs/dbraw/zinc/82/02/47/486820247.db2.gz ZVJIHBCRULAJEH-UHFFFAOYSA-N 0 0 191.274 2.061 10 30 AEEERN C=C[C@@H](C)NC(=O)NCCCC1CC1 674934303 486823980 /nfs/dbraw/zinc/82/39/80/486823980.db2.gz WSOLFZFHDAMQOL-SECBINFHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCCN(C)C(=O)N[C@H](C)C=C 674933593 486822845 /nfs/dbraw/zinc/82/28/45/486822845.db2.gz CIKBCQWVAJUJDG-SNVBAGLBSA-N 0 0 196.294 2.169 10 30 AEEERN C=CCCCN(C)C(=O)N[C@@H](C)C=C 674933592 486823045 /nfs/dbraw/zinc/82/30/45/486823045.db2.gz CIKBCQWVAJUJDG-JTQLQIEISA-N 0 0 196.294 2.169 10 30 AEEERN C=C[C@H](C)NC(=O)NCCCC1CC1 674934304 486823784 /nfs/dbraw/zinc/82/37/84/486823784.db2.gz WSOLFZFHDAMQOL-VIFPVBQESA-N 0 0 196.294 2.050 10 30 AEEERN C=C[C@@H](C)NC(=O)NC[C@H](C)C(C)C 674933933 486823811 /nfs/dbraw/zinc/82/38/11/486823811.db2.gz MGIZJPAQHNFHOA-VHSXEESVSA-N 0 0 198.310 2.152 10 30 AEEERN C=C[C@H](C)NC(=O)NC[C@H](C)C(C)C 674933932 486823822 /nfs/dbraw/zinc/82/38/22/486823822.db2.gz MGIZJPAQHNFHOA-UWVGGRQHSA-N 0 0 198.310 2.152 10 30 AEEERN C=C[C@@H](C)NC(=O)NC[C@@H](C)C(C)C 674933931 486824024 /nfs/dbraw/zinc/82/40/24/486824024.db2.gz MGIZJPAQHNFHOA-NXEZZACHSA-N 0 0 198.310 2.152 10 30 AEEERN C=C[C@H](C)NC(=O)NC[C@@H](C)C(C)C 674933934 486824057 /nfs/dbraw/zinc/82/40/57/486824057.db2.gz MGIZJPAQHNFHOA-ZJUUUORDSA-N 0 0 198.310 2.152 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 674955809 486824815 /nfs/dbraw/zinc/82/48/15/486824815.db2.gz IAEZPBJKMOWDLF-UKKRHICBSA-N 0 0 193.290 2.113 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 674955811 486824882 /nfs/dbraw/zinc/82/48/82/486824882.db2.gz IAEZPBJKMOWDLF-ZNSHCXBVSA-N 0 0 193.290 2.113 10 30 AEEERN C=C[C@@H](C)NC(=O)NCC1(C)CCC1 674986011 486826180 /nfs/dbraw/zinc/82/61/80/486826180.db2.gz LJQJPDHQSNXPMH-SECBINFHSA-N 0 0 196.294 2.050 10 30 AEEERN C=C[C@H](C)NC(=O)NCC1(C)CCC1 674986012 486826644 /nfs/dbraw/zinc/82/66/44/486826644.db2.gz LJQJPDHQSNXPMH-VIFPVBQESA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCCOc1c(C)nn(C)c1C 675087661 486826872 /nfs/dbraw/zinc/82/68/72/486826872.db2.gz ARSMUNSOFHUCLW-UHFFFAOYSA-N 0 0 194.278 2.382 10 30 AEEERN C=CCC(CC=C)C(=O)N1CCCC1 675148976 486829054 /nfs/dbraw/zinc/82/90/54/486829054.db2.gz AMUWFQVIBCMVCG-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCC(CC=C)C(=O)N(C)C1CC1 675149991 486829103 /nfs/dbraw/zinc/82/91/03/486829103.db2.gz HXDRVWASLZCVLH-UHFFFAOYSA-N 0 0 193.290 2.376 10 30 AEEERN C=CCNC(=O)c1cc(C)c(CC)o1 675432421 486836912 /nfs/dbraw/zinc/83/69/12/486836912.db2.gz DJBKVGSKHYILRI-UHFFFAOYSA-N 0 0 193.246 2.066 10 30 AEEERN C=CCN(CC1CC1)CC(F)(F)F 675639451 486845937 /nfs/dbraw/zinc/84/59/37/486845937.db2.gz NOGGBVQPRWBHRW-UHFFFAOYSA-N 0 0 193.212 2.447 10 30 AEEERN C=CCNC(=O)c1oc(CC)cc1C 676028625 486853057 /nfs/dbraw/zinc/85/30/57/486853057.db2.gz JADSYBKJQUHIJN-UHFFFAOYSA-N 0 0 193.246 2.066 10 30 AEEERN C=CCCCN(C)c1ncc(F)cn1 676564472 486864964 /nfs/dbraw/zinc/86/49/64/486864964.db2.gz FXAOQQIQNJJAQK-UHFFFAOYSA-N 0 0 195.241 2.018 10 30 AEEERN C=CCN1CCc2ccc(F)cc2C1 676707901 486867327 /nfs/dbraw/zinc/86/73/27/486867327.db2.gz GULGIWNPEYGUTA-UHFFFAOYSA-N 0 0 191.249 2.370 10 30 AEEERN C=CCN(C)c1ccccc1N(C)C 676720966 486869678 /nfs/dbraw/zinc/86/96/78/486869678.db2.gz FPRJVITWMGBCAE-UHFFFAOYSA-N 0 0 190.290 2.375 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@H]1CC1(C)C 677049718 486877027 /nfs/dbraw/zinc/87/70/27/486877027.db2.gz IEVADYVOPSFEKN-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCN(C)C(=O)[C@H]1CC1(C)C 677054105 486877093 /nfs/dbraw/zinc/87/70/93/486877093.db2.gz FVZHLKHDHLHZGR-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCN(C)c1ncc(C)cn1 677506668 486888080 /nfs/dbraw/zinc/88/80/80/486888080.db2.gz CRWASOKMNUZTRM-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=C(C)CN(CC)c1ncc(C)cn1 677504748 486888492 /nfs/dbraw/zinc/88/84/92/486888492.db2.gz DAVMMTAUHWZQHV-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=C(C)CN1CCC[C@H]1C(F)F 677737241 486896894 /nfs/dbraw/zinc/89/68/94/486896894.db2.gz PDHKTIKHQDBSNR-QMMMGPOBSA-N 0 0 175.222 2.292 10 30 AEEERN C=CCCC(=O)N1CC[C@H](C2CC2)C1 677875229 486905954 /nfs/dbraw/zinc/90/59/54/486905954.db2.gz DIRXEHJDQQXKOL-NSHDSACASA-N 0 0 193.290 2.211 10 30 AEEERN COCC#CCOc1ccc(C)cc1 677887154 486905129 /nfs/dbraw/zinc/90/51/29/486905129.db2.gz ADXCLJVLGMGXAJ-UHFFFAOYSA-N 0 0 190.242 2.024 10 30 AEEERN C=CCCC(=O)N1CC[C@@H](C2CC2)C1 677875228 486905701 /nfs/dbraw/zinc/90/57/01/486905701.db2.gz DIRXEHJDQQXKOL-LLVKDONJSA-N 0 0 193.290 2.211 10 30 AEEERN C=CCNC(=O)N(CCC)C(C)C 96722049 486914035 /nfs/dbraw/zinc/91/40/35/486914035.db2.gz WHBAKALOGYNKLS-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C=CCN(C)Cc1ncc(C2CC2)o1 678164317 486923191 /nfs/dbraw/zinc/92/31/91/486923191.db2.gz JTFHUQALGODWRE-UHFFFAOYSA-N 0 0 192.262 2.170 10 30 AEEERN C=CC[C@@H](C)Nc1ccc(C)nn1 122731476 486936254 /nfs/dbraw/zinc/93/62/54/486936254.db2.gz BXUFTNNCGHPUBL-MRVPVSSYSA-N 0 0 177.251 2.162 10 30 AEEERN C=CC[C@H](C)Nc1ccc(C)nn1 122731282 486937102 /nfs/dbraw/zinc/93/71/02/486937102.db2.gz BXUFTNNCGHPUBL-QMMMGPOBSA-N 0 0 177.251 2.162 10 30 AEEERN C=CCN(C(=O)C1CCCC1)C1CC1 678495906 486938277 /nfs/dbraw/zinc/93/82/77/486938277.db2.gz HDWRXGNRLDKKKL-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=CCN(C(=O)c1ccoc1)C1CC1 678495826 486938880 /nfs/dbraw/zinc/93/88/80/486938880.db2.gz DMWZQBDWPIBKGP-UHFFFAOYSA-N 0 0 191.230 2.070 10 30 AEEERN C=C(CC)CN(C)Cc1cc(C)on1 678623765 486940547 /nfs/dbraw/zinc/94/05/47/486940547.db2.gz VSWKPHZYBNTDHF-UHFFFAOYSA-N 0 0 194.278 2.381 10 30 AEEERN C=C(CC)COc1c(C)nn(C)c1C 678610962 486940818 /nfs/dbraw/zinc/94/08/18/486940818.db2.gz NUDVBVLLUWVGMP-UHFFFAOYSA-N 0 0 194.278 2.382 10 30 AEEERN C=C(CC)Cn1nc(CC)nc1CC 678610441 486940887 /nfs/dbraw/zinc/94/08/87/486940887.db2.gz GFJLGXGZNJZHPJ-UHFFFAOYSA-N 0 0 193.294 2.369 10 30 AEEERN N#Cc1ccc(C2CC2)cc1O 146413730 486951997 /nfs/dbraw/zinc/95/19/97/486951997.db2.gz JEYJJLZLOIINHV-UHFFFAOYSA-N 0 0 159.188 2.141 10 30 AEEERN CC#CCOc1ccccc1OCC 679163572 486952108 /nfs/dbraw/zinc/95/21/08/486952108.db2.gz FXDOWJJISIRFMI-UHFFFAOYSA-N 0 0 190.242 2.487 10 30 AEEERN C=CCOc1ccc(C)cc1[N+](=O)[O-] 146324557 486952395 /nfs/dbraw/zinc/95/23/95/486952395.db2.gz ALQVNGLHUWKZHT-UHFFFAOYSA-N 0 0 193.202 2.468 10 30 AEEERN CC#CCOc1ccc(C)cc1OC 679163595 486952512 /nfs/dbraw/zinc/95/25/12/486952512.db2.gz GJGCIUTZOFNKIZ-UHFFFAOYSA-N 0 0 190.242 2.406 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1C 146836345 486952784 /nfs/dbraw/zinc/95/27/84/486952784.db2.gz GZBBAKVSRHBYDK-VHSXEESVSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@H]1C[C@@H]1C 146836526 486952818 /nfs/dbraw/zinc/95/28/18/486952818.db2.gz GZBBAKVSRHBYDK-UWVGGRQHSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1C 146836692 486952914 /nfs/dbraw/zinc/95/29/14/486952914.db2.gz GZBBAKVSRHBYDK-NXEZZACHSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@H]1C[C@H]1C 146836878 486953208 /nfs/dbraw/zinc/95/32/08/486953208.db2.gz GZBBAKVSRHBYDK-ZJUUUORDSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)CN(C)C(=O)C[C@H]1C=CCC1 679205008 486953233 /nfs/dbraw/zinc/95/32/33/486953233.db2.gz AZNGCQUQZKBNOK-NSHDSACASA-N 0 0 193.290 2.377 10 30 AEEERN C=C(C)CN(C)C(=O)C[C@@H]1C=CCC1 679205007 486953317 /nfs/dbraw/zinc/95/33/17/486953317.db2.gz AZNGCQUQZKBNOK-LLVKDONJSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(C)CN(C)c1nc(C(C)C)no1 679189801 486953447 /nfs/dbraw/zinc/95/34/47/486953447.db2.gz HLCOOIKHARLUGZ-UHFFFAOYSA-N 0 0 195.266 2.205 10 30 AEEERN C=C(C)CN(C)Cc1ncc(CC)o1 679217496 486953551 /nfs/dbraw/zinc/95/35/51/486953551.db2.gz GDNZCZDKJPSVEO-UHFFFAOYSA-N 0 0 194.278 2.245 10 30 AEEERN N#CCc1ccc2sccc2n1 147180304 486953768 /nfs/dbraw/zinc/95/37/68/486953768.db2.gz QOASJKRDHFUXJF-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN N#CCc1ccnc(-c2ccccc2)n1 147123587 486954173 /nfs/dbraw/zinc/95/41/73/486954173.db2.gz LCRMCXRCBWVRBT-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN C=CCCC(=O)N1CC[C@H](C)[C@@H](F)C1 679250871 486955455 /nfs/dbraw/zinc/95/54/55/486955455.db2.gz BMLJVNOSBKXXEP-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCC(=O)N1CC[C@@H](C)[C@@H](F)C1 679250875 486955620 /nfs/dbraw/zinc/95/56/20/486955620.db2.gz BMLJVNOSBKXXEP-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCC(=O)N1CC[C@@H](C)[C@H](F)C1 679250869 486955702 /nfs/dbraw/zinc/95/57/02/486955702.db2.gz BMLJVNOSBKXXEP-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCC(=O)N1CC[C@H](C)[C@H](F)C1 679250872 486956002 /nfs/dbraw/zinc/95/60/02/486956002.db2.gz BMLJVNOSBKXXEP-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)CN(C)Cc1cncs1 679362549 486961493 /nfs/dbraw/zinc/96/14/93/486961493.db2.gz ZGNICLPNZAZVOA-UHFFFAOYSA-N 0 0 182.292 2.151 10 30 AEEERN C=CCCOc1cnn(C(C)C)c1 162102555 486981322 /nfs/dbraw/zinc/98/13/22/486981322.db2.gz OIXVZUZEVPGODA-UHFFFAOYSA-N 0 0 180.251 2.419 10 30 AEEERN C=C(C)COc1cnn(C(C)C)c1 162102425 486981589 /nfs/dbraw/zinc/98/15/89/486981589.db2.gz VYZCBCPBWQTSOC-UHFFFAOYSA-N 0 0 180.251 2.419 10 30 AEEERN C=CCOc1cnn(C(C)C)c1 162105525 486982701 /nfs/dbraw/zinc/98/27/01/486982701.db2.gz FNSKFZTUEHQONI-UHFFFAOYSA-N 0 0 166.224 2.029 10 30 AEEERN CC#CCCOc1cnn(C(C)C)c1 162104782 486982839 /nfs/dbraw/zinc/98/28/39/486982839.db2.gz JCAIYEGYBPXAAW-UHFFFAOYSA-N 0 0 192.262 2.256 10 30 AEEERN C=CCNC(=O)N(CC)CCC1CC1 680641709 486990036 /nfs/dbraw/zinc/99/00/36/486990036.db2.gz PWROBZDEVYFUQY-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCOCc1nc(C2CCC2)no1 680694615 486991763 /nfs/dbraw/zinc/99/17/63/486991763.db2.gz FAWNGAQUKULBHT-UHFFFAOYSA-N 0 0 194.234 2.040 10 30 AEEERN C=CCCc1nc([C@@H]2CCCO2)no1 680767647 486992508 /nfs/dbraw/zinc/99/25/08/486992508.db2.gz FXHUUTZNYHKRTM-QMMMGPOBSA-N 0 0 194.234 2.040 10 30 AEEERN C=CCCc1nc([C@H]2CCCO2)no1 680767646 486992527 /nfs/dbraw/zinc/99/25/27/486992527.db2.gz FXHUUTZNYHKRTM-MRVPVSSYSA-N 0 0 194.234 2.040 10 30 AEEERN C=CCCCN(C)c1cncc(C)n1 680829256 486994408 /nfs/dbraw/zinc/99/44/08/486994408.db2.gz HFUJXHXJNJQPPS-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN CC#CCCOc1ccccc1OC 680881734 486995116 /nfs/dbraw/zinc/99/51/16/486995116.db2.gz HOTVOPBOMLLEAY-UHFFFAOYSA-N 0 0 190.242 2.487 10 30 AEEERN CC#CCCOc1ccc(OC)cc1 680881591 486995654 /nfs/dbraw/zinc/99/56/54/486995654.db2.gz FITCRZVPCDYZCQ-UHFFFAOYSA-N 0 0 190.242 2.487 10 30 AEEERN CC#CCCN(CC(F)F)C1CC1 680883869 486998058 /nfs/dbraw/zinc/99/80/58/486998058.db2.gz FBJRGKCJRZBBIL-UHFFFAOYSA-N 0 0 187.233 2.129 10 30 AEEERN C=CCOc1cccnc1OC(C)C 680954522 487001067 /nfs/dbraw/zinc/00/10/67/487001067.db2.gz JUUBIAFACUALJE-UHFFFAOYSA-N 0 0 193.246 2.434 10 30 AEEERN C=CCCCOc1cccnc1OC 680954169 487001238 /nfs/dbraw/zinc/00/12/38/487001238.db2.gz DHEUGSAHHJQQPT-UHFFFAOYSA-N 0 0 193.246 2.435 10 30 AEEERN CC#CCCNC(=O)[C@H](C)CC(C)C 680934912 487001292 /nfs/dbraw/zinc/00/12/92/487001292.db2.gz XDWUDZWFEQWMSH-LLVKDONJSA-N 0 0 195.306 2.198 10 30 AEEERN CC#CCCNC(=O)[C@@H](C)CC(C)C 680934916 487001426 /nfs/dbraw/zinc/00/14/26/487001426.db2.gz XDWUDZWFEQWMSH-NSHDSACASA-N 0 0 195.306 2.198 10 30 AEEERN CC#CCCCC(=O)N(C)CCCC 680991899 487002108 /nfs/dbraw/zinc/00/21/08/487002108.db2.gz ACHUJQSKUWCCHO-UHFFFAOYSA-N 0 0 195.306 2.439 10 30 AEEERN CC#CCCCC(=O)N(C)CC1CC1 680996341 487002610 /nfs/dbraw/zinc/00/26/10/487002610.db2.gz WXIZMOJGYFKBBY-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)Nc1cnoc1 680998560 487002627 /nfs/dbraw/zinc/00/26/27/487002627.db2.gz PASCZWRZNLWVDY-MRVPVSSYSA-N 0 0 194.234 2.215 10 30 AEEERN C=C(C)C[C@H](C)C(=O)Nc1cnoc1 680998561 487002669 /nfs/dbraw/zinc/00/26/69/487002669.db2.gz PASCZWRZNLWVDY-QMMMGPOBSA-N 0 0 194.234 2.215 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(C)CC1CC1 680996267 487002697 /nfs/dbraw/zinc/00/26/97/487002697.db2.gz SUQRIDQSPSTFME-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[C@H]1C 680996458 487002713 /nfs/dbraw/zinc/00/27/13/487002713.db2.gz ZHPHNMTUYPUBRZ-VWYCJHECSA-N 0 0 195.306 2.361 10 30 AEEERN CC#CCCCC(=O)N(CC)CCC 680996616 487002775 /nfs/dbraw/zinc/00/27/75/487002775.db2.gz GTDLUNLFESMEEP-UHFFFAOYSA-N 0 0 195.306 2.439 10 30 AEEERN CC#CCCCC(=O)N[C@@H]1CC1(C)C 680996539 487002882 /nfs/dbraw/zinc/00/28/82/487002882.db2.gz BIUWHHDLFGLQPN-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(C)CC1CC1 680996269 487002972 /nfs/dbraw/zinc/00/29/72/487002972.db2.gz SUQRIDQSPSTFME-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@@H]1C 680996456 487003091 /nfs/dbraw/zinc/00/30/91/487003091.db2.gz ZHPHNMTUYPUBRZ-GARJFASQSA-N 0 0 195.306 2.361 10 30 AEEERN CC#CCCCC(=O)N(C)[C@H](C)CC 680996597 487003121 /nfs/dbraw/zinc/00/31/21/487003121.db2.gz FJGVTUPNHJFEGA-LLVKDONJSA-N 0 0 195.306 2.437 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@H]1C 680996457 487003139 /nfs/dbraw/zinc/00/31/39/487003139.db2.gz ZHPHNMTUYPUBRZ-OUAUKWLOSA-N 0 0 195.306 2.361 10 30 AEEERN CC#CCCCC(=O)N1CCCCC1 680993327 487003157 /nfs/dbraw/zinc/00/31/57/487003157.db2.gz BRPFLVIORGEGQA-UHFFFAOYSA-N 0 0 193.290 2.193 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[C@@H]1C 680996455 487003210 /nfs/dbraw/zinc/00/32/10/487003210.db2.gz ZHPHNMTUYPUBRZ-DCAQKATOSA-N 0 0 195.306 2.361 10 30 AEEERN CC#CCCCC(=O)N(C)[C@@H](C)CC 680996598 487003277 /nfs/dbraw/zinc/00/32/77/487003277.db2.gz FJGVTUPNHJFEGA-NSHDSACASA-N 0 0 195.306 2.437 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NC1CC=CC1 680999365 487003392 /nfs/dbraw/zinc/00/33/92/487003392.db2.gz AXNIJIODDUNTME-SNVBAGLBSA-N 0 0 193.290 2.424 10 30 AEEERN C=C(C)CN(C)C(=O)CCCC#CC 681001226 487003583 /nfs/dbraw/zinc/00/35/83/487003583.db2.gz CKUFKDPVZFECHC-UHFFFAOYSA-N 0 0 193.290 2.215 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC1CC=CC1 680999364 487003703 /nfs/dbraw/zinc/00/37/03/487003703.db2.gz AXNIJIODDUNTME-JTQLQIEISA-N 0 0 193.290 2.424 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC=CCC1 681001563 487003834 /nfs/dbraw/zinc/00/38/34/487003834.db2.gz OYZFMWBKBGCURM-LLVKDONJSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC=CCC1 681001564 487003867 /nfs/dbraw/zinc/00/38/67/487003867.db2.gz OYZFMWBKBGCURM-NSHDSACASA-N 0 0 193.290 2.377 10 30 AEEERN C=CCCNc1cc(CC)ncn1 168882075 487005931 /nfs/dbraw/zinc/00/59/31/487005931.db2.gz HPMDCKGMAXYTAI-UHFFFAOYSA-N 0 0 177.251 2.027 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NCCC#CC 681065769 487008288 /nfs/dbraw/zinc/00/82/88/487008288.db2.gz RLNIEXVKTMGZJR-LLVKDONJSA-N 0 0 193.290 2.118 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NCCC#CC 681065770 487008708 /nfs/dbraw/zinc/00/87/08/487008708.db2.gz RLNIEXVKTMGZJR-NSHDSACASA-N 0 0 193.290 2.118 10 30 AEEERN CC(C)COC1=CCCCC1=O 196496604 487011368 /nfs/dbraw/zinc/01/13/68/487011368.db2.gz XSNQGJVWFWUWSF-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C[Si](C)(C)C#CC(=O)c1ccco1 196884761 487012977 /nfs/dbraw/zinc/01/29/77/487012977.db2.gz FCNJOSPRLFTZBG-UHFFFAOYSA-N 0 0 192.290 2.343 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H]1C[C@H]1C(C)C 681241441 487015776 /nfs/dbraw/zinc/01/57/76/487015776.db2.gz KAMZFSCMSAMFRZ-QWRGUYRKSA-N 0 0 195.306 2.313 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H]1C[C@@H]1C(C)C 681241440 487015796 /nfs/dbraw/zinc/01/57/96/487015796.db2.gz KAMZFSCMSAMFRZ-MNOVXSKESA-N 0 0 195.306 2.313 10 30 AEEERN CC#CCNC(=O)[C@@H](C)CC(C)(C)C 681239409 487015801 /nfs/dbraw/zinc/01/58/01/487015801.db2.gz BOLHTVDYKIZEIV-JTQLQIEISA-N 0 0 195.306 2.198 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)C 681231487 487015825 /nfs/dbraw/zinc/01/58/25/487015825.db2.gz JNGRDNPWQLLMNT-GARJFASQSA-N 0 0 195.306 2.359 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]1C(C)C 681241439 487015862 /nfs/dbraw/zinc/01/58/62/487015862.db2.gz KAMZFSCMSAMFRZ-GHMZBOCLSA-N 0 0 195.306 2.313 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(C)C 681231488 487015866 /nfs/dbraw/zinc/01/58/66/487015866.db2.gz JNGRDNPWQLLMNT-HBNTYKKESA-N 0 0 195.306 2.359 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@H]1C[C@H]1C(C)C 681231485 487015883 /nfs/dbraw/zinc/01/58/83/487015883.db2.gz JNGRDNPWQLLMNT-DCAQKATOSA-N 0 0 195.306 2.359 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]1C(C)C 681231483 487015886 /nfs/dbraw/zinc/01/58/86/487015886.db2.gz JNGRDNPWQLLMNT-AXFHLTTASA-N 0 0 195.306 2.359 10 30 AEEERN CC#CCNC(=O)[C@H](C)CC(C)(C)C 681239411 487015970 /nfs/dbraw/zinc/01/59/70/487015970.db2.gz BOLHTVDYKIZEIV-SNVBAGLBSA-N 0 0 195.306 2.198 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1C(C)C 681241442 487016614 /nfs/dbraw/zinc/01/66/14/487016614.db2.gz KAMZFSCMSAMFRZ-WDEREUQCSA-N 0 0 195.306 2.313 10 30 AEEERN C=C(C)CCO[C@@H](C)Cc1ncc[nH]1 681371601 487019471 /nfs/dbraw/zinc/01/94/71/487019471.db2.gz QWFRIQJECLTKCI-JTQLQIEISA-N 0 0 194.278 2.324 10 30 AEEERN C=C(C)CCO[C@H](C)Cc1ncc[nH]1 681371602 487019906 /nfs/dbraw/zinc/01/99/06/487019906.db2.gz QWFRIQJECLTKCI-SNVBAGLBSA-N 0 0 194.278 2.324 10 30 AEEERN C=C(C)CCN(C)Cc1cc(C)on1 681398053 487020014 /nfs/dbraw/zinc/02/00/14/487020014.db2.gz BAIMQXOTNKXEJI-UHFFFAOYSA-N 0 0 194.278 2.381 10 30 AEEERN N#CCc1ccc(C2CC2)nc1 213771029 487024141 /nfs/dbraw/zinc/02/41/41/487024141.db2.gz AETVTKGWFYDJAI-UHFFFAOYSA-N 0 0 158.204 2.025 10 30 AEEERN C=C(C)CNC(=O)NCCCC1CC1 681659656 487028172 /nfs/dbraw/zinc/02/81/72/487028172.db2.gz AYEWHKRYNAHBQS-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CCN(C)C(=O)NC[C@H](C)C(C)C 681654423 487028243 /nfs/dbraw/zinc/02/82/43/487028243.db2.gz NZWYCIDVCGASNV-JTQLQIEISA-N 0 0 198.310 2.106 10 30 AEEERN C=CCN(C)C(=O)NCCCC1CC1 681651059 487028504 /nfs/dbraw/zinc/02/85/04/487028504.db2.gz WMGVODIRXANVBD-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCCCN(C)C(=O)NCC(=C)C 681659721 487028511 /nfs/dbraw/zinc/02/85/11/487028511.db2.gz FDWDXJAATRPRRD-UHFFFAOYSA-N 0 0 196.294 2.170 10 30 AEEERN C=CCN(C)C(=O)NC[C@@H](C)C(C)C 681654424 487028642 /nfs/dbraw/zinc/02/86/42/487028642.db2.gz NZWYCIDVCGASNV-SNVBAGLBSA-N 0 0 198.310 2.106 10 30 AEEERN C=CCN(C)C(=O)NCC1(C)CCC1 681653780 487028702 /nfs/dbraw/zinc/02/87/02/487028702.db2.gz YKEXWITVOGKQCT-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCN(C)C(=O)[C@H](C)c1ccco1 681673952 487029055 /nfs/dbraw/zinc/02/90/55/487029055.db2.gz BVMMKNCGCVHDST-SECBINFHSA-N 0 0 193.246 2.028 10 30 AEEERN C=C(C)CNC(=O)NC[C@@H](C)C(C)C 681660326 487029313 /nfs/dbraw/zinc/02/93/13/487029313.db2.gz YRDIYBHIFHTRBW-SNVBAGLBSA-N 0 0 198.310 2.154 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)c1ccco1 681673953 487029430 /nfs/dbraw/zinc/02/94/30/487029430.db2.gz BVMMKNCGCVHDST-VIFPVBQESA-N 0 0 193.246 2.028 10 30 AEEERN C=C(C)CNC(=O)NC[C@H](C)C(C)C 681660325 487029512 /nfs/dbraw/zinc/02/95/12/487029512.db2.gz YRDIYBHIFHTRBW-JTQLQIEISA-N 0 0 198.310 2.154 10 30 AEEERN C=CCC[C@H](C(N)=O)c1ccccc1 681708657 487034051 /nfs/dbraw/zinc/03/40/51/487034051.db2.gz CAIFOUGPORDSDM-NSHDSACASA-N 0 0 189.258 2.222 10 30 AEEERN C=CCN(C)Cc1nc(C)c(C)s1 681695474 487031463 /nfs/dbraw/zinc/03/14/63/487031463.db2.gz FBQFWDIETMMWIY-UHFFFAOYSA-N 0 0 196.319 2.378 10 30 AEEERN C=CCC[C@@H](C(N)=O)c1ccccc1 681708656 487034458 /nfs/dbraw/zinc/03/44/58/487034458.db2.gz CAIFOUGPORDSDM-LLVKDONJSA-N 0 0 189.258 2.222 10 30 AEEERN C=C(C)CNC(=O)NCC1(C)CCC1 681793678 487039455 /nfs/dbraw/zinc/03/94/55/487039455.db2.gz MWHHUZUFRHJFBT-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=C[C@](C)(CC)C(=O)Nc1cnoc1 682359933 487053102 /nfs/dbraw/zinc/05/31/02/487053102.db2.gz BUNKOHWNIVYYFA-SNVBAGLBSA-N 0 0 194.234 2.215 10 30 AEEERN C=C[C@](C)(CC)C(=O)N(C)CC1CC1 682358824 487053039 /nfs/dbraw/zinc/05/30/39/487053039.db2.gz OCTOGVFKMUBKFV-GFCCVEGCSA-N 0 0 195.306 2.457 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1C[C@H]1C 682358716 487053221 /nfs/dbraw/zinc/05/32/21/487053221.db2.gz LIOMNRJXUOGJOX-JFGNBEQYSA-N 0 0 195.306 2.361 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H]1C 682358711 487053299 /nfs/dbraw/zinc/05/32/99/487053299.db2.gz LIOMNRJXUOGJOX-CKYFFXLPSA-N 0 0 195.306 2.361 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H]1C 682358713 487053321 /nfs/dbraw/zinc/05/33/21/487053321.db2.gz LIOMNRJXUOGJOX-HOSYDEDBSA-N 0 0 195.306 2.361 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1C[C@@H]1C 682358715 487053340 /nfs/dbraw/zinc/05/33/40/487053340.db2.gz LIOMNRJXUOGJOX-JBLDHEPKSA-N 0 0 195.306 2.361 10 30 AEEERN C=C[C@@](C)(CC)C(=O)Nc1cnoc1 682359932 487053404 /nfs/dbraw/zinc/05/34/04/487053404.db2.gz BUNKOHWNIVYYFA-JTQLQIEISA-N 0 0 194.234 2.215 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N(C)CC1CC1 682358825 487053408 /nfs/dbraw/zinc/05/34/08/487053408.db2.gz OCTOGVFKMUBKFV-LBPRGKRZSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCN(C)c1cc(C)nc(C)n1 682414610 487056264 /nfs/dbraw/zinc/05/62/64/487056264.db2.gz CLENMEYSLJKHGV-UHFFFAOYSA-N 0 0 191.278 2.106 10 30 AEEERN C=CCCN(C)C(=O)N[C@@H]1CC1(C)C 682415619 487056308 /nfs/dbraw/zinc/05/63/08/487056308.db2.gz MUDOTFAEGNPKCO-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCN(C)C(=O)[C@H]1C[C@H]1C(C)C 682427449 487057441 /nfs/dbraw/zinc/05/74/41/487057441.db2.gz UAWYTYHFKXTLIX-QWRGUYRKSA-N 0 0 195.306 2.313 10 30 AEEERN C=CCCN(C)C(=O)[C@@H]1C[C@H]1C(C)C 682427450 487057603 /nfs/dbraw/zinc/05/76/03/487057603.db2.gz UAWYTYHFKXTLIX-WDEREUQCSA-N 0 0 195.306 2.313 10 30 AEEERN C=CCCN(C)C(=O)c1ccoc1C 682428519 487057696 /nfs/dbraw/zinc/05/76/96/487057696.db2.gz DZEKSODHPYCVBS-UHFFFAOYSA-N 0 0 193.246 2.236 10 30 AEEERN C=CCCN(C)C(=O)[C@H]1C[C@@H]1C(C)C 682427448 487057808 /nfs/dbraw/zinc/05/78/08/487057808.db2.gz UAWYTYHFKXTLIX-MNOVXSKESA-N 0 0 195.306 2.313 10 30 AEEERN C=CCCN(C)C(=O)[C@@H]1C[C@@H]1C(C)C 682427447 487057842 /nfs/dbraw/zinc/05/78/42/487057842.db2.gz UAWYTYHFKXTLIX-GHMZBOCLSA-N 0 0 195.306 2.313 10 30 AEEERN C=CCCN(C)Cc1nc(C)c(C)o1 682434927 487058350 /nfs/dbraw/zinc/05/83/50/487058350.db2.gz CPIIDPBEEAUSGK-UHFFFAOYSA-N 0 0 194.278 2.299 10 30 AEEERN C=CCCCN(C)C(=O)N(C)C(C)C 682612560 487064279 /nfs/dbraw/zinc/06/42/79/487064279.db2.gz DJPIKGCUKCIVGL-UHFFFAOYSA-N 0 0 198.310 2.345 10 30 AEEERN CC#CCOc1ccc(C)nc1CC 682706755 487067785 /nfs/dbraw/zinc/06/77/85/487067785.db2.gz FVXQFCONBSWIPI-UHFFFAOYSA-N 0 0 189.258 2.355 10 30 AEEERN C=CCC1(C(=O)N(C)C2CC2)CCC1 682884457 487073584 /nfs/dbraw/zinc/07/35/84/487073584.db2.gz CJBMNTGDTLJPIY-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=CCN(CC=C)C(=O)CC1(C)CC1 683189722 487086126 /nfs/dbraw/zinc/08/61/26/487086126.db2.gz FQCRJTYASCGXSF-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCCC(=O)N[C@@H]1CC12CCCC2 683253975 487087900 /nfs/dbraw/zinc/08/79/00/487087900.db2.gz CUCLMYBWICONDF-SNVBAGLBSA-N 0 0 193.290 2.402 10 30 AEEERN C=CCCC(=O)N[C@H]1CC12CCCC2 683253973 487088336 /nfs/dbraw/zinc/08/83/36/487088336.db2.gz CUCLMYBWICONDF-JTQLQIEISA-N 0 0 193.290 2.402 10 30 AEEERN C=CC1CCN(Cc2cocn2)CC1 683351532 487089199 /nfs/dbraw/zinc/08/91/99/487089199.db2.gz ILBGAFXPXUOQEC-UHFFFAOYSA-N 0 0 192.262 2.073 10 30 AEEERN C=C[C@@H]1CCCCN1c1cccnn1 683756556 487096589 /nfs/dbraw/zinc/09/65/89/487096589.db2.gz ALJHYKDFTFYKKO-SNVBAGLBSA-N 0 0 189.262 2.022 10 30 AEEERN C=C[C@H]1CCCCN1c1cccnn1 683756555 487096734 /nfs/dbraw/zinc/09/67/34/487096734.db2.gz ALJHYKDFTFYKKO-JTQLQIEISA-N 0 0 189.262 2.022 10 30 AEEERN C=CCOc1cccc(CCOC)c1 683738841 487096819 /nfs/dbraw/zinc/09/68/19/487096819.db2.gz OFPNFYKVUGUKMI-UHFFFAOYSA-N 0 0 192.258 2.440 10 30 AEEERN CC#CCNC(=O)CC(C)(C)CCC 683761478 487096951 /nfs/dbraw/zinc/09/69/51/487096951.db2.gz CHKOCCDKTINTNU-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C 683788776 487097541 /nfs/dbraw/zinc/09/75/41/487097541.db2.gz STXSZXUORDLGJW-DCAQKATOSA-N 0 0 193.290 2.210 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C 683788780 487097804 /nfs/dbraw/zinc/09/78/04/487097804.db2.gz STXSZXUORDLGJW-OUAUKWLOSA-N 0 0 193.290 2.210 10 30 AEEERN C=C[C@@H]1CCCCN1C(=O)C1CCC1 683787992 487097874 /nfs/dbraw/zinc/09/78/74/487097874.db2.gz CARGYBFTYYRQCR-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)C1CCC1 683787993 487098138 /nfs/dbraw/zinc/09/81/38/487098138.db2.gz CARGYBFTYYRQCR-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C=C[C@H]1CCCCN1Cc1cocn1 683844675 487101111 /nfs/dbraw/zinc/10/11/11/487101111.db2.gz YIDRLIKYNGRGHF-NSHDSACASA-N 0 0 192.262 2.215 10 30 AEEERN C=C[C@@H]1CCCCN1Cc1cocn1 683844674 487101205 /nfs/dbraw/zinc/10/12/05/487101205.db2.gz YIDRLIKYNGRGHF-LLVKDONJSA-N 0 0 192.262 2.215 10 30 AEEERN C=CCC(CC=C)C(=O)N1CC(C)C1 683906501 487104634 /nfs/dbraw/zinc/10/46/34/487104634.db2.gz UUFQJWNXWQPKDS-UHFFFAOYSA-N 0 0 193.290 2.233 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC(C)(C)C1 684086173 487107457 /nfs/dbraw/zinc/10/74/57/487107457.db2.gz COKPJKVPWKUWBG-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC(C)(C)C1 684086172 487107766 /nfs/dbraw/zinc/10/77/66/487107766.db2.gz COKPJKVPWKUWBG-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@H]1CCCC[C@@H]1NC(C)=O 238144718 487108046 /nfs/dbraw/zinc/10/80/46/487108046.db2.gz DKJPEQYUGTZEEC-QWRGUYRKSA-N 0 0 181.279 2.257 10 30 AEEERN C=CC[C@@H]1CCCC[C@@H]1NC(C)=O 238144944 487108073 /nfs/dbraw/zinc/10/80/73/487108073.db2.gz DKJPEQYUGTZEEC-MNOVXSKESA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCCNC(=O)NCC1CCC1 684113604 487108104 /nfs/dbraw/zinc/10/81/04/487108104.db2.gz IVDZCVZPTVKJBO-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CCCCNC(=O)NCCCCC 684114612 487108163 /nfs/dbraw/zinc/10/81/63/487108163.db2.gz ZMIHHURHUXBDRL-UHFFFAOYSA-N 0 0 198.310 2.442 10 30 AEEERN C=CCCCNC(=O)NC1CC(C)C1 684117417 487108182 /nfs/dbraw/zinc/10/81/82/487108182.db2.gz PCXFCTVUPUKAGM-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCCNC(=O)N(C)CC(C)C 684120931 487108194 /nfs/dbraw/zinc/10/81/94/487108194.db2.gz QRALFHXFRBQENM-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN C=CCCCNC(=O)N[C@H](C)CCC 684114109 487108199 /nfs/dbraw/zinc/10/81/99/487108199.db2.gz OHISUZSRCDSITN-SNVBAGLBSA-N 0 0 198.310 2.440 10 30 AEEERN C=CCCCNC(=O)N1CCC[C@H]1C 684121041 487108256 /nfs/dbraw/zinc/10/82/56/487108256.db2.gz WLBAMYACEAQMBW-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCNC(=O)NCCC(C)C 684114178 487108277 /nfs/dbraw/zinc/10/82/77/487108277.db2.gz PZIKBQZHVPRDNS-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN C=CCCCNC(=O)NCCC1CC1 684118497 487108285 /nfs/dbraw/zinc/10/82/85/487108285.db2.gz XODZRUSLZLVCSA-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CCCCNC(=O)NC(CC)CC 684113537 487108303 /nfs/dbraw/zinc/10/83/03/487108303.db2.gz FVYOJSDVKFFYBG-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C=CCCCNC(=O)NCCCC=C 684111572 487108353 /nfs/dbraw/zinc/10/83/53/487108353.db2.gz NYCXNXVUOWGRAR-UHFFFAOYSA-N 0 0 196.294 2.218 10 30 AEEERN C=CCCCNC(=O)N(C)CC1CC1 684120165 487108364 /nfs/dbraw/zinc/10/83/64/487108364.db2.gz DMXUIMNCJIAFNE-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCCCNC(=O)N(C)CCC=C 684121098 487108413 /nfs/dbraw/zinc/10/84/13/487108413.db2.gz YYLBMPKZICJBIY-UHFFFAOYSA-N 0 0 196.294 2.170 10 30 AEEERN C=CCCCNC(=O)N(CC)C(C)C 684107296 487108639 /nfs/dbraw/zinc/10/86/39/487108639.db2.gz DGNXAQSHMINIRY-UHFFFAOYSA-N 0 0 198.310 2.393 10 30 AEEERN C=CCCCNC(=O)c1c[nH]cc1C 684155542 487110114 /nfs/dbraw/zinc/11/01/14/487110114.db2.gz WTWYKSBIHIXREF-UHFFFAOYSA-N 0 0 192.262 2.019 10 30 AEEERN C=CCCCNC(=O)N[C@@H](C)CC=C 684116524 487108539 /nfs/dbraw/zinc/10/85/39/487108539.db2.gz HTYHXJMBKGTFGZ-JTQLQIEISA-N 0 0 196.294 2.216 10 30 AEEERN C=CCCCNC(=O)NCC=C(C)C 684120744 487108561 /nfs/dbraw/zinc/10/85/61/487108561.db2.gz SVHXNYLAQMRQHX-UHFFFAOYSA-N 0 0 196.294 2.218 10 30 AEEERN C=CCCCNC(=O)N[C@H](C)CC=C 684116525 487108579 /nfs/dbraw/zinc/10/85/79/487108579.db2.gz HTYHXJMBKGTFGZ-SNVBAGLBSA-N 0 0 196.294 2.216 10 30 AEEERN C=CCCCNC(=O)NCC(C)(C)C 684116037 487108588 /nfs/dbraw/zinc/10/85/88/487108588.db2.gz YUKQZIOMKKFJDB-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN C=CCCCNC(=O)N[C@@H](C)CCC 684114107 487108604 /nfs/dbraw/zinc/10/86/04/487108604.db2.gz OHISUZSRCDSITN-JTQLQIEISA-N 0 0 198.310 2.440 10 30 AEEERN C=CC[C@H]1CCCC[C@H]1NC(C)=O 238116435 487108638 /nfs/dbraw/zinc/10/86/38/487108638.db2.gz DKJPEQYUGTZEEC-WDEREUQCSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCCNC(=O)N[C@@H]1CC1(C)C 684115326 487108652 /nfs/dbraw/zinc/10/86/52/487108652.db2.gz BNQFNGVFCAZCPY-SECBINFHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC[C@@H]1CCCC[C@H]1NC(C)=O 238116774 487108662 /nfs/dbraw/zinc/10/86/62/487108662.db2.gz DKJPEQYUGTZEEC-GHMZBOCLSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCCCNC(=O)NCC1(C)CC1 684118297 487108678 /nfs/dbraw/zinc/10/86/78/487108678.db2.gz SXGCEVYRQWXSRH-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CCCCNC(=O)N1CCC[C@@H]1C 684121040 487108792 /nfs/dbraw/zinc/10/87/92/487108792.db2.gz WLBAMYACEAQMBW-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCNC(=O)N(C)CCCC 684120959 487108799 /nfs/dbraw/zinc/10/87/99/487108799.db2.gz SDBRVYNFRKZYAA-UHFFFAOYSA-N 0 0 198.310 2.394 10 30 AEEERN C=CCCCNC(=O)N(C)CC(=C)C 684120587 487108816 /nfs/dbraw/zinc/10/88/16/487108816.db2.gz KJKNIMVPDZAGGD-UHFFFAOYSA-N 0 0 196.294 2.170 10 30 AEEERN C=CCCCNC(=O)[C@H]1CC=CCC1 684127804 487109083 /nfs/dbraw/zinc/10/90/83/487109083.db2.gz RBHJUAKQILAUCT-NSHDSACASA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 684154521 487109110 /nfs/dbraw/zinc/10/91/10/487109110.db2.gz DTVPIFKFOJSVGA-URLYPYJESA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCCNC(=O)N1CC(C)(C)C1 684139711 487109193 /nfs/dbraw/zinc/10/91/93/487109193.db2.gz PPNUZUBVJJKAIE-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCCCNC(=O)[C@H]1C[C@@H]1C(C)C 684128006 487109219 /nfs/dbraw/zinc/10/92/19/487109219.db2.gz UAWHGSVUUJDUGN-MNOVXSKESA-N 0 0 195.306 2.361 10 30 AEEERN C=CCCCNC(=O)c1coc(C)c1 684129083 487109234 /nfs/dbraw/zinc/10/92/34/487109234.db2.gz FAOGMYIDJNOWHW-UHFFFAOYSA-N 0 0 193.246 2.284 10 30 AEEERN C=CCCCNC(=O)[C@H]1CC12CCC2 684128225 487109247 /nfs/dbraw/zinc/10/92/47/487109247.db2.gz WMJXCKGCOYRZKB-SNVBAGLBSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCCCNC(=O)[C@@H]1C[C@@H]1C(C)C 684128004 487109349 /nfs/dbraw/zinc/10/93/49/487109349.db2.gz UAWHGSVUUJDUGN-GHMZBOCLSA-N 0 0 195.306 2.361 10 30 AEEERN C=CCCCNC(=O)c1ccoc1C 684127289 487109355 /nfs/dbraw/zinc/10/93/55/487109355.db2.gz IQSWRZQHINSXHQ-UHFFFAOYSA-N 0 0 193.246 2.284 10 30 AEEERN C=CCCCNC(=O)[C@H]1C[C@H]1C(C)C 684128009 487109374 /nfs/dbraw/zinc/10/93/74/487109374.db2.gz UAWHGSVUUJDUGN-QWRGUYRKSA-N 0 0 195.306 2.361 10 30 AEEERN C=CCCCNC(=O)N(CC)C1CC1 684139601 487109385 /nfs/dbraw/zinc/10/93/85/487109385.db2.gz ISUZYLJZPKNPQU-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCNC(=O)N(C)[C@@H](C)CC 684141742 487109399 /nfs/dbraw/zinc/10/93/99/487109399.db2.gz MCSAGXIABUVBIM-JTQLQIEISA-N 0 0 198.310 2.393 10 30 AEEERN C=CCCCNC(=O)c1occc1C 684127900 487109405 /nfs/dbraw/zinc/10/94/05/487109405.db2.gz RZLGLDOVNBLXSF-UHFFFAOYSA-N 0 0 193.246 2.284 10 30 AEEERN C=CCCCNC(=O)[C@H]1C[C@H]1C1CC1 684127940 487109450 /nfs/dbraw/zinc/10/94/50/487109450.db2.gz SDKKFYHZAYMVSU-QWRGUYRKSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCCNC(=O)N(C)C1CCC1 684139999 487109456 /nfs/dbraw/zinc/10/94/56/487109456.db2.gz ZRMRZZXPZZKYDU-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCNC(=O)NC1(C)CCC1 684139615 487109484 /nfs/dbraw/zinc/10/94/84/487109484.db2.gz JRMWEHVDCOQDMH-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=CCCCNC(=O)N(C)[C@H](C)CC 684141743 487109502 /nfs/dbraw/zinc/10/95/02/487109502.db2.gz MCSAGXIABUVBIM-SNVBAGLBSA-N 0 0 198.310 2.393 10 30 AEEERN C=CCCCNC(=O)c1ccc(C)o1 684127298 487109517 /nfs/dbraw/zinc/10/95/17/487109517.db2.gz JDUOTRVLYUKUJY-UHFFFAOYSA-N 0 0 193.246 2.284 10 30 AEEERN C=CCCCNC(=O)[C@@H]1C[C@H]1C(C)C 684128013 487109521 /nfs/dbraw/zinc/10/95/21/487109521.db2.gz UAWHGSVUUJDUGN-WDEREUQCSA-N 0 0 195.306 2.361 10 30 AEEERN C=CCCCNC(=O)[C@@H]1C[C@H]1C1CC1 684127941 487109540 /nfs/dbraw/zinc/10/95/40/487109540.db2.gz SDKKFYHZAYMVSU-WDEREUQCSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCCNC(=O)N1CC[C@H](C)C1 684139636 487109544 /nfs/dbraw/zinc/10/95/44/487109544.db2.gz KXIFDBACWNONCM-JTQLQIEISA-N 0 0 196.294 2.004 10 30 AEEERN C=CCCCNC(=O)[C@@H]1CC12CCC2 684128223 487109565 /nfs/dbraw/zinc/10/95/65/487109565.db2.gz WMJXCKGCOYRZKB-JTQLQIEISA-N 0 0 193.290 2.259 10 30 AEEERN C=CCCCNC(=O)N1CC[C@@H](C)C1 684139637 487109599 /nfs/dbraw/zinc/10/95/99/487109599.db2.gz KXIFDBACWNONCM-SNVBAGLBSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCCCNC(=O)[C@@H]1CC=CCC1 684127803 487109607 /nfs/dbraw/zinc/10/96/07/487109607.db2.gz RBHJUAKQILAUCT-LLVKDONJSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCCNC(=O)N(CC)CCC 684140001 487109610 /nfs/dbraw/zinc/10/96/10/487109610.db2.gz ZSQDQTAZHMJXRV-UHFFFAOYSA-N 0 0 198.310 2.394 10 30 AEEERN C=CCCCNC(=O)[C@@H]1C[C@@H]1C1CC1 684127927 487109614 /nfs/dbraw/zinc/10/96/14/487109614.db2.gz SDKKFYHZAYMVSU-GHMZBOCLSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCCNC(=O)CCCC#CC 684154721 487109808 /nfs/dbraw/zinc/10/98/08/487109808.db2.gz JUJJNWQEIJTEQD-UHFFFAOYSA-N 0 0 193.290 2.262 10 30 AEEERN C=CCCCNC(=O)c1cc[nH]c1C 684154970 487109954 /nfs/dbraw/zinc/10/99/54/487109954.db2.gz UDGDVTARTDPVTM-UHFFFAOYSA-N 0 0 192.262 2.019 10 30 AEEERN C=CCCCNC(=O)C[C@@H]1C=CCC1 684155044 487110376 /nfs/dbraw/zinc/11/03/76/487110376.db2.gz NKTCXOSCHFSNEV-LLVKDONJSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCCNC(=O)C[C@H]1C=CCC1 684155045 487110396 /nfs/dbraw/zinc/11/03/96/487110396.db2.gz NKTCXOSCHFSNEV-NSHDSACASA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCCNC(=O)N1[C@@H](C)C[C@@H]1C 684285891 487114863 /nfs/dbraw/zinc/11/48/63/487114863.db2.gz ABXIWRWSIUYVAQ-UWVGGRQHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCCCNC(=O)N1[C@H](C)C[C@H]1C 684285890 487115120 /nfs/dbraw/zinc/11/51/20/487115120.db2.gz ABXIWRWSIUYVAQ-NXEZZACHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCCCNC(=O)N1[C@@H](C)C[C@H]1C 684285889 487115244 /nfs/dbraw/zinc/11/52/44/487115244.db2.gz ABXIWRWSIUYVAQ-AOOOYVTPSA-N 0 0 196.294 2.145 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N1CC(C)(F)C1 684323953 487115675 /nfs/dbraw/zinc/11/56/75/487115675.db2.gz FBKZJZFGRXZTJR-JTQLQIEISA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC(C)(F)C1 684329088 487115728 /nfs/dbraw/zinc/11/57/28/487115728.db2.gz OHTAZTLHRZQWIH-VIFPVBQESA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC(C)(F)C1 684329087 487115878 /nfs/dbraw/zinc/11/58/78/487115878.db2.gz OHTAZTLHRZQWIH-SECBINFHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1CC(C)(F)C1 684323954 487115947 /nfs/dbraw/zinc/11/59/47/487115947.db2.gz FBKZJZFGRXZTJR-SNVBAGLBSA-N 0 0 199.269 2.159 10 30 AEEERN CC#CCCCC(=O)N1[C@@H](C)C[C@H]1C 684333572 487116512 /nfs/dbraw/zinc/11/65/12/487116512.db2.gz CRPQPBLGFAAZIR-PHIMTYICSA-N 0 0 193.290 2.189 10 30 AEEERN CC#CCCCC(=O)N1[C@@H](C)C[C@@H]1C 684333573 487116547 /nfs/dbraw/zinc/11/65/47/487116547.db2.gz CRPQPBLGFAAZIR-QWRGUYRKSA-N 0 0 193.290 2.189 10 30 AEEERN CC#CCCCC(=O)N1[C@H](C)C[C@H]1C 684333571 487116773 /nfs/dbraw/zinc/11/67/73/487116773.db2.gz CRPQPBLGFAAZIR-GHMZBOCLSA-N 0 0 193.290 2.189 10 30 AEEERN C=CCNC(=O)N(CC)CC1CCC1 684355962 487118560 /nfs/dbraw/zinc/11/85/60/487118560.db2.gz LRCKPDSPTMFZLA-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 252911160 487129148 /nfs/dbraw/zinc/12/91/48/487129148.db2.gz GFWZXNYQCNDOJZ-MMWGEVLESA-N 0 0 193.290 2.113 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 252911158 487129178 /nfs/dbraw/zinc/12/91/78/487129178.db2.gz GFWZXNYQCNDOJZ-CHWFTXMASA-N 0 0 193.290 2.113 10 30 AEEERN C=CCCCNC(=O)N[C@@H]1C[C@H]1CC 684797389 487133003 /nfs/dbraw/zinc/13/30/03/487133003.db2.gz LZPPANKEOSHUHS-NXEZZACHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCN(C)C(=O)N(C)C(C)(C)CC 684916566 487136238 /nfs/dbraw/zinc/13/62/38/487136238.db2.gz CBSZITVZQDJOIO-UHFFFAOYSA-N 0 0 198.310 2.345 10 30 AEEERN C=CCNC(=O)c1ccoc1CCC 684948573 487137871 /nfs/dbraw/zinc/13/78/71/487137871.db2.gz XVRGJFDPUIXYFR-UHFFFAOYSA-N 0 0 193.246 2.148 10 30 AEEERN C=CCNC(=O)c1ccoc1C1CC1 684948380 487138076 /nfs/dbraw/zinc/13/80/76/487138076.db2.gz BXYSBFODIQJMKR-UHFFFAOYSA-N 0 0 191.230 2.073 10 30 AEEERN C=CCNC(=O)N(CC)C(CC)CC 685195204 487142616 /nfs/dbraw/zinc/14/26/16/487142616.db2.gz ZQHHERYLGIYVDR-UHFFFAOYSA-N 0 0 198.310 2.393 10 30 AEEERN C=CCNC(=O)[C@H](C)CCCC 300870278 487145605 /nfs/dbraw/zinc/14/56/05/487145605.db2.gz DPVJBSGHHGANOH-SECBINFHSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(CC)CNc1ccn(CC)n1 300834534 487145425 /nfs/dbraw/zinc/14/54/25/487145425.db2.gz DBAMCTZKTQWNIV-UHFFFAOYSA-N 0 0 179.267 2.281 10 30 AEEERN C=CCNC(=O)[C@@H](C)CCCC 300870280 487145866 /nfs/dbraw/zinc/14/58/66/487145866.db2.gz DPVJBSGHHGANOH-VIFPVBQESA-N 0 0 169.268 2.115 10 30 AEEERN C=CCC[N@@H+](C)Cc1oc(C)nc1C 685574534 487147776 /nfs/dbraw/zinc/14/77/76/487147776.db2.gz FPRJUJDSPLVXCX-UHFFFAOYSA-N 0 0 194.278 2.299 10 30 AEEERN CC#CCOc1cccc(N(C)C)c1 685580063 487148034 /nfs/dbraw/zinc/14/80/34/487148034.db2.gz FSEJBWWWUNQKPN-UHFFFAOYSA-N 0 0 189.258 2.155 10 30 AEEERN C=C(C)CN(C)C(=O)C1(CCF)CC1 685817767 487149140 /nfs/dbraw/zinc/14/91/40/487149140.db2.gz RHAXVSCTZNPBHH-UHFFFAOYSA-N 0 0 199.269 2.161 10 30 AEEERN C=CC[C@H](C)NC(=O)C1(CCF)CC1 685745077 487149175 /nfs/dbraw/zinc/14/91/75/487149175.db2.gz OONFIHRQQHZRCD-VIFPVBQESA-N 0 0 199.269 2.207 10 30 AEEERN C=CC[C@@H](C)NC(=O)C1(CCF)CC1 685745076 487149219 /nfs/dbraw/zinc/14/92/19/487149219.db2.gz OONFIHRQQHZRCD-SECBINFHSA-N 0 0 199.269 2.207 10 30 AEEERN C=CCCCNC(=O)C1(CCF)CC1 685795492 487149294 /nfs/dbraw/zinc/14/92/94/487149294.db2.gz RERKQUUSRWBEEE-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=CCCN(C)C(=O)C1(CCF)CC1 685831140 487149372 /nfs/dbraw/zinc/14/93/72/487149372.db2.gz BPGYJWKACCIYNK-UHFFFAOYSA-N 0 0 199.269 2.161 10 30 AEEERN C=CCNC(=O)N(C)[C@@H](C)CCCC 685897622 487151200 /nfs/dbraw/zinc/15/12/00/487151200.db2.gz WGRXTKRNJHCMDD-JTQLQIEISA-N 0 0 198.310 2.393 10 30 AEEERN C=CCNC(=O)N(C)[C@H](C)CCCC 685897623 487151297 /nfs/dbraw/zinc/15/12/97/487151297.db2.gz WGRXTKRNJHCMDD-SNVBAGLBSA-N 0 0 198.310 2.393 10 30 AEEERN C=CCCCN(C)c1nccnc1C 685908620 487151306 /nfs/dbraw/zinc/15/13/06/487151306.db2.gz QRQUSPLKNWXBID-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=C(C)CCNc1cc(C)ncn1 306679109 487165288 /nfs/dbraw/zinc/16/52/88/487165288.db2.gz BEMOCLDEBBBIPK-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=C(CC)CNc1ccc(C)nn1 307291260 487178441 /nfs/dbraw/zinc/17/84/41/487178441.db2.gz BUAZGNYLWRESBQ-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=C(C)CCNc1ccc(C)nn1 307493861 487182618 /nfs/dbraw/zinc/18/26/18/487182618.db2.gz HOEIHXRTLYLBED-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=CCCc1ccccc1NCCO 308518342 487202847 /nfs/dbraw/zinc/20/28/47/487202847.db2.gz PLFZYIJLTIAYQG-UHFFFAOYSA-N 0 0 191.274 2.209 10 30 AEEERN N#CCC(=O)Nc1ccc2cc[nH]c2c1 334857712 487229409 /nfs/dbraw/zinc/22/94/09/487229409.db2.gz VYGMTJBGJYGTNY-UHFFFAOYSA-N 0 0 199.213 2.020 10 30 AEEERN C=CCCc1noc(CC2CC2)n1 351129429 487232810 /nfs/dbraw/zinc/23/28/10/487232810.db2.gz FGABRMPKFTUDRC-UHFFFAOYSA-N 0 0 178.235 2.141 10 30 AEEERN C=CCCc1noc(C2(C)CC2)n1 351129787 487232935 /nfs/dbraw/zinc/23/29/35/487232935.db2.gz HDRFZHUUKQTYPM-UHFFFAOYSA-N 0 0 178.235 2.240 10 30 AEEERN C=CCCc1nc(C2(C)CC2)no1 351170462 487232996 /nfs/dbraw/zinc/23/29/96/487232996.db2.gz DSOXJHCUCKBFPA-UHFFFAOYSA-N 0 0 178.235 2.240 10 30 AEEERN C=CCCc1noc(C(C)(C)F)n1 351130839 487233013 /nfs/dbraw/zinc/23/30/13/487233013.db2.gz LGLJFXFSLQLKCO-UHFFFAOYSA-N 0 0 184.214 2.393 10 30 AEEERN C=CCCc1noc(C(C)(C)OC)n1 351128453 487233161 /nfs/dbraw/zinc/23/31/61/487233161.db2.gz ALOUDZHNBNVSDD-UHFFFAOYSA-N 0 0 196.250 2.070 10 30 AEEERN CCC[C@H](C)[C@H]1CCCN1CC#N 379370205 487240139 /nfs/dbraw/zinc/24/01/39/487240139.db2.gz GAOFKNQCLQHKOG-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H](C)[C@@H]1CCCN1CC#N 379370204 487240354 /nfs/dbraw/zinc/24/03/54/487240354.db2.gz GAOFKNQCLQHKOG-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@@H](C)[C@@H]1CCCN1CC#N 379370203 487240392 /nfs/dbraw/zinc/24/03/92/487240392.db2.gz GAOFKNQCLQHKOG-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN C=C(C)CSc1nncn1C1CC1 388622305 487260800 /nfs/dbraw/zinc/26/08/00/487260800.db2.gz HQNZAGAVLRMTBD-UHFFFAOYSA-N 0 0 195.291 2.281 10 30 AEEERN C=CCCNc1ccnc2cccnc12 393654453 487267666 /nfs/dbraw/zinc/26/76/66/487267666.db2.gz SDBYJTLCXAOCIS-UHFFFAOYSA-N 0 0 199.257 2.040 10 30 AEEERN C=CC(C)(C)CCNc1nnc(C)o1 528075241 487293784 /nfs/dbraw/zinc/29/37/84/487293784.db2.gz QRLKONHKNQIGEC-UHFFFAOYSA-N 0 0 195.266 2.392 10 30 AEEERN C=CC(C)(C)CCNc1cccnn1 528076445 487293812 /nfs/dbraw/zinc/29/38/12/487293812.db2.gz XUABPJIYKFNUSS-UHFFFAOYSA-N 0 0 191.278 2.491 10 30 AEEERN C#C[C@](O)(C(CC)CC)C1(C#N)CC1 584602869 487294636 /nfs/dbraw/zinc/29/46/36/487294636.db2.gz GHEQOCCIIGJWLZ-LBPRGKRZSA-N 0 0 191.274 2.091 10 30 AEEERN C#C[C@@](O)(C(CC)CC)C1(C#N)CC1 584602867 487294646 /nfs/dbraw/zinc/29/46/46/487294646.db2.gz GHEQOCCIIGJWLZ-GFCCVEGCSA-N 0 0 191.274 2.091 10 30 AEEERN C(#C[C@@H]1CCCO1)c1cccs1 584622431 487295150 /nfs/dbraw/zinc/29/51/50/487295150.db2.gz WWXIDMHKEUBSNZ-VIFPVBQESA-N 0 0 178.256 2.279 10 30 AEEERN C(#C[C@H]1CCCO1)c1cccs1 584622429 487295174 /nfs/dbraw/zinc/29/51/74/487295174.db2.gz WWXIDMHKEUBSNZ-SECBINFHSA-N 0 0 178.256 2.279 10 30 AEEERN CC(C)(C)[C@@H]1C[C@H](C=O)CCO1 584625684 487295382 /nfs/dbraw/zinc/29/53/82/487295382.db2.gz OVESFTHUVJINFE-BDAKNGLRSA-N 0 0 170.252 2.027 10 30 AEEERN CC(C)(C)[C@H]1C[C@H](C=O)CCO1 584625689 487295468 /nfs/dbraw/zinc/29/54/68/487295468.db2.gz OVESFTHUVJINFE-RKDXNWHRSA-N 0 0 170.252 2.027 10 30 AEEERN CC(C)(C)[C@@H]1C[C@@H](C=O)CCO1 584625688 487295514 /nfs/dbraw/zinc/29/55/14/487295514.db2.gz OVESFTHUVJINFE-IUCAKERBSA-N 0 0 170.252 2.027 10 30 AEEERN CC(C)(C)[C@H]1C[C@@H](C=O)CCO1 584625687 487295526 /nfs/dbraw/zinc/29/55/26/487295526.db2.gz OVESFTHUVJINFE-DTWKUNHWSA-N 0 0 170.252 2.027 10 30 AEEERN O=C1C=CCC[C@@H]1Nc1ccccc1 584639626 487296156 /nfs/dbraw/zinc/29/61/56/487296156.db2.gz WJMJFDFWUJPZJS-NSHDSACASA-N 0 0 187.242 2.386 10 30 AEEERN CC(=O)CCC#Cc1ccco1 584639629 487296174 /nfs/dbraw/zinc/29/61/74/487296174.db2.gz XNFQCBNKSJKSMB-UHFFFAOYSA-N 0 0 162.188 2.000 10 30 AEEERN O=C1C=CCC[C@H]1Nc1ccccc1 584639625 487296187 /nfs/dbraw/zinc/29/61/87/487296187.db2.gz WJMJFDFWUJPZJS-LLVKDONJSA-N 0 0 187.242 2.386 10 30 AEEERN C(#CC1CC1)c1cc(C2CC2)ncn1 585143776 487297198 /nfs/dbraw/zinc/29/71/98/487297198.db2.gz MKCOVAKKPFCTCV-UHFFFAOYSA-N 0 0 184.242 2.116 10 30 AEEERN Cc1csc(C#CC2CC2)n1 585143773 487297232 /nfs/dbraw/zinc/29/72/32/487297232.db2.gz MFTPZUXGZZKBCN-UHFFFAOYSA-N 0 0 163.245 2.213 10 30 AEEERN Cc1nccc(C#Cc2ccccc2)n1 585144743 487297434 /nfs/dbraw/zinc/29/74/34/487297434.db2.gz BCUXUSQMQIXYBU-UHFFFAOYSA-N 0 0 194.237 2.185 10 30 AEEERN Cc1nccnc1C#Cc1ccccc1 585144745 487297438 /nfs/dbraw/zinc/29/74/38/487297438.db2.gz BJPNAWTUWMATGR-UHFFFAOYSA-N 0 0 194.237 2.185 10 30 AEEERN COCC#Cc1ccc2ccccc2n1 585145187 487297737 /nfs/dbraw/zinc/29/77/37/487297737.db2.gz GTEIZRFVUATNMG-UHFFFAOYSA-N 0 0 197.237 2.233 10 30 AEEERN N#Cc1cnccc1/C=C/c1cocn1 585818431 487298042 /nfs/dbraw/zinc/29/80/42/487298042.db2.gz VHZQGMYOQUKWHL-OWOJBTEDSA-N 0 0 197.197 2.112 10 30 AEEERN CC(C)CCCC(=O)N(C)[C@@H](C)C#N 590994290 487299000 /nfs/dbraw/zinc/29/90/00/487299000.db2.gz IRTBNPWSQXKOPG-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN C=CCCNC(=O)NC1(CC)CCC1 665945663 487318252 /nfs/dbraw/zinc/31/82/52/487318252.db2.gz IRSWBNIEMHPTHZ-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=CCCNC(=O)NC(C)(CC)CC 665946851 487318786 /nfs/dbraw/zinc/31/87/86/487318786.db2.gz YZLWHXYSUGLWAS-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C=C(C)CNc1nc(C(C)=O)cs1 668129488 487359800 /nfs/dbraw/zinc/35/98/00/487359800.db2.gz DEXDZZQYJBHOIS-UHFFFAOYSA-N 0 0 196.275 2.334 10 30 AEEERN C=CCCc1csc(N2CCC2)n1 668132268 487360130 /nfs/dbraw/zinc/36/01/30/487360130.db2.gz HIAMWKAFJSUMJL-UHFFFAOYSA-N 0 0 194.303 2.472 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 668854390 487369811 /nfs/dbraw/zinc/36/98/11/487369811.db2.gz GFWZXNYQCNDOJZ-ZNSHCXBVSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 668854388 487369838 /nfs/dbraw/zinc/36/98/38/487369838.db2.gz GFWZXNYQCNDOJZ-UKKRHICBSA-N 0 0 193.290 2.113 10 30 AEEERN C=CCCCN(C)C(=O)CCCF 668940744 487370276 /nfs/dbraw/zinc/37/02/76/487370276.db2.gz CSBBWOKQEBIXHE-UHFFFAOYSA-N 0 0 187.258 2.161 10 30 AEEERN C=CC[C@H]1CCN1C(=O)CCC1CC1 890557546 582456527 /nfs/dbraw/zinc/45/65/27/582456527.db2.gz BBXGKYHKHFEGSQ-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C#CC(=O)NCCCCCCCC 145836254 582456429 /nfs/dbraw/zinc/45/64/29/582456429.db2.gz ICDJZAXFLMHIFG-UHFFFAOYSA-N 0 0 181.279 2.096 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C1=CCCC1 890556632 582456512 /nfs/dbraw/zinc/45/65/12/582456512.db2.gz XQDSDPOUUMFTFO-NSHDSACASA-N 0 0 191.274 2.274 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@H](F)C(C)C 890552278 582456517 /nfs/dbraw/zinc/45/65/17/582456517.db2.gz MGHFVOGSEUDBEW-NXEZZACHSA-N 0 0 199.269 2.158 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@@H](F)C(C)C 890552279 582456559 /nfs/dbraw/zinc/45/65/59/582456559.db2.gz MGHFVOGSEUDBEW-UWVGGRQHSA-N 0 0 199.269 2.158 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C1CC=CC1 890558399 582456570 /nfs/dbraw/zinc/45/65/70/582456570.db2.gz QWEWCUWHPVDQEP-LLVKDONJSA-N 0 0 191.274 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C(C)(C)C=C 890554679 582456573 /nfs/dbraw/zinc/45/65/73/582456573.db2.gz UJYSBVDERWJHAO-JTQLQIEISA-N 0 0 193.290 2.376 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@@H](C)C(C)C 890557719 582456597 /nfs/dbraw/zinc/45/65/97/582456597.db2.gz FTICVHUOHGFYJH-WDEREUQCSA-N 0 0 195.306 2.456 10 30 AEEERN C#CCCOC(=O)N(C)CCC(C)C 858911234 582456619 /nfs/dbraw/zinc/45/66/19/582456619.db2.gz AAYSQSLXQFRPQP-UHFFFAOYSA-N 0 0 197.278 2.124 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@@H](F)C(C)C 890552282 582456627 /nfs/dbraw/zinc/45/66/27/582456627.db2.gz MGHFVOGSEUDBEW-ZJUUUORDSA-N 0 0 199.269 2.158 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1CC 890554935 582456628 /nfs/dbraw/zinc/45/66/28/582456628.db2.gz ZKYMTPPITQGVBJ-OUAUKWLOSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@H](C)C(C)C 890557717 582456629 /nfs/dbraw/zinc/45/66/29/582456629.db2.gz FTICVHUOHGFYJH-MNOVXSKESA-N 0 0 195.306 2.456 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C1(C)CCC1 890558626 582456630 /nfs/dbraw/zinc/45/66/30/582456630.db2.gz FITDDVWEEKDFBB-JTQLQIEISA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@H](C)C(C)C 890557716 582456631 /nfs/dbraw/zinc/45/66/31/582456631.db2.gz FTICVHUOHGFYJH-GHMZBOCLSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C(F)=C\CC 890551040 582456634 /nfs/dbraw/zinc/45/66/34/582456634.db2.gz USFIWEHYQCEUGV-CMWXKVOJSA-N 0 0 197.253 2.427 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@@H]1CC1(C)C 890555009 582456641 /nfs/dbraw/zinc/45/66/41/582456641.db2.gz ANIJVHZVYGIURI-ZJUUUORDSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C(/C)Cl 890549701 582456646 /nfs/dbraw/zinc/45/66/46/582456646.db2.gz PWKSBCJPWPCCPS-UFGYOYAJSA-N 0 0 199.681 2.306 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C(\C)Cl 890549686 582456650 /nfs/dbraw/zinc/45/66/50/582456650.db2.gz PWKSBCJPWPCCPS-FCZSHJHJSA-N 0 0 199.681 2.306 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C1CC=CC1 890558400 582456656 /nfs/dbraw/zinc/45/66/56/582456656.db2.gz QWEWCUWHPVDQEP-NSHDSACASA-N 0 0 191.274 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@H](F)C(C)C 890552280 582456658 /nfs/dbraw/zinc/45/66/58/582456658.db2.gz MGHFVOGSEUDBEW-VHSXEESVSA-N 0 0 199.269 2.158 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C1(CC)CC1 890558690 582456661 /nfs/dbraw/zinc/45/66/61/582456661.db2.gz FRYABIATIISCMF-SNVBAGLBSA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@@H](C)C1CC1 890558816 582456669 /nfs/dbraw/zinc/45/66/69/582456669.db2.gz HOPUPDQYINBLPU-GXSJLCMTSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@@H](C)C1CC1 890558819 582456680 /nfs/dbraw/zinc/45/66/80/582456680.db2.gz HOPUPDQYINBLPU-ONGXEEELSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C1(C)CCC1 890558631 582456695 /nfs/dbraw/zinc/45/66/95/582456695.db2.gz FITDDVWEEKDFBB-SNVBAGLBSA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C1=CCCC1 890556631 582456696 /nfs/dbraw/zinc/45/66/96/582456696.db2.gz XQDSDPOUUMFTFO-LLVKDONJSA-N 0 0 191.274 2.274 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1CC 890554934 582456697 /nfs/dbraw/zinc/45/66/97/582456697.db2.gz ZKYMTPPITQGVBJ-GMTAPVOTSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C(/C)Cl 890549700 582456699 /nfs/dbraw/zinc/45/66/99/582456699.db2.gz PWKSBCJPWPCCPS-FUOZMLNRSA-N 0 0 199.681 2.306 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C(C)(C)C=C 890554680 582456709 /nfs/dbraw/zinc/45/67/09/582456709.db2.gz UJYSBVDERWJHAO-SNVBAGLBSA-N 0 0 193.290 2.376 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@H]1CC1(C)C 890555008 582456721 /nfs/dbraw/zinc/45/67/21/582456721.db2.gz ANIJVHZVYGIURI-VHSXEESVSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C(\C)Cl 890549699 582456735 /nfs/dbraw/zinc/45/67/35/582456735.db2.gz PWKSBCJPWPCCPS-FLOXNTQESA-N 0 0 199.681 2.306 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@H](C)C1CC1 890558817 582456741 /nfs/dbraw/zinc/45/67/41/582456741.db2.gz HOPUPDQYINBLPU-KOLCDFICSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@@H](C)C(C)C 890557718 582456743 /nfs/dbraw/zinc/45/67/43/582456743.db2.gz FTICVHUOHGFYJH-QWRGUYRKSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C1(CC)CC1 890558688 582456747 /nfs/dbraw/zinc/45/67/47/582456747.db2.gz FRYABIATIISCMF-JTQLQIEISA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@@H]1CC1(C)C 890555007 582456748 /nfs/dbraw/zinc/45/67/48/582456748.db2.gz ANIJVHZVYGIURI-UWVGGRQHSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C(F)=C/CC 890551041 582456750 /nfs/dbraw/zinc/45/67/50/582456750.db2.gz USFIWEHYQCEUGV-LKJZUNMESA-N 0 0 197.253 2.427 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@H]1CC1(C)C 890555006 582456762 /nfs/dbraw/zinc/45/67/62/582456762.db2.gz ANIJVHZVYGIURI-NXEZZACHSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C(F)=C/CC 890551042 582456772 /nfs/dbraw/zinc/45/67/72/582456772.db2.gz USFIWEHYQCEUGV-WPVMNKCKSA-N 0 0 197.253 2.427 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C(F)=C\CC 890551043 582456790 /nfs/dbraw/zinc/45/67/90/582456790.db2.gz USFIWEHYQCEUGV-ZFZMKPAXSA-N 0 0 197.253 2.427 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)CCC1CC1 890557545 582456806 /nfs/dbraw/zinc/45/68/06/582456806.db2.gz BBXGKYHKHFEGSQ-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@H](C)C1CC1 890558818 582456828 /nfs/dbraw/zinc/45/68/28/582456828.db2.gz HOPUPDQYINBLPU-MWLCHTKSSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C/C=C/C 890564153 582456837 /nfs/dbraw/zinc/45/68/37/582456837.db2.gz KATOHTPTNLNGJE-CJRGTMQESA-N 0 0 191.274 2.296 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C1CCCC1 890564054 582456841 /nfs/dbraw/zinc/45/68/41/582456841.db2.gz HZURJVHMRCODGL-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C/C=C/C 890564154 582456854 /nfs/dbraw/zinc/45/68/54/582456854.db2.gz KATOHTPTNLNGJE-QGSHSPQNSA-N 0 0 191.274 2.296 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C/C1CC1 890560547 582456858 /nfs/dbraw/zinc/45/68/58/582456858.db2.gz YWFUAXBIXBXDPG-MLRMMBSGSA-N 0 0 191.274 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)CCCC 890565037 582456865 /nfs/dbraw/zinc/45/68/65/582456865.db2.gz JQEWVPCZSFZSGR-SNVBAGLBSA-N 0 0 181.279 2.354 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@H](C)CC 890562075 582456871 /nfs/dbraw/zinc/45/68/71/582456871.db2.gz QUDKBYOUVUXYQB-NXEZZACHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCC(=O)N1CC[C@@H]1CC=C 890561225 582456875 /nfs/dbraw/zinc/45/68/75/582456875.db2.gz XIUZOEVRYPZTKF-JTQLQIEISA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C(C)=C/C 890559284 582456901 /nfs/dbraw/zinc/45/69/01/582456901.db2.gz KJBRTVCPRJDBKN-CYNRKNSPSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)c1ccoc1 890566443 582456912 /nfs/dbraw/zinc/45/69/12/582456912.db2.gz VXWXCGWMGSUSSZ-SNVBAGLBSA-N 0 0 191.230 2.070 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C=C1CCC1 890559985 582456917 /nfs/dbraw/zinc/45/69/17/582456917.db2.gz SCRMLBBQOLKNPP-NSHDSACASA-N 0 0 191.274 2.274 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C=C(C)C 890563704 582456922 /nfs/dbraw/zinc/45/69/22/582456922.db2.gz ADANISYIZPGECN-JTQLQIEISA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@H](C)CC 890562078 582456948 /nfs/dbraw/zinc/45/69/48/582456948.db2.gz QUDKBYOUVUXYQB-ZJUUUORDSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C/C=C\C 890564155 582456950 /nfs/dbraw/zinc/45/69/50/582456950.db2.gz KATOHTPTNLNGJE-SIDQXBMPSA-N 0 0 191.274 2.296 10 30 AEEERN C=CC[C@H]1CCN1C(=O)CC(C)C 890565152 582456955 /nfs/dbraw/zinc/45/69/55/582456955.db2.gz YNKPIRINOMKHJV-JTQLQIEISA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)c1ccco1 890564499 582456980 /nfs/dbraw/zinc/45/69/80/582456980.db2.gz PVPZQHUPXVUPLL-SECBINFHSA-N 0 0 191.230 2.070 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C(C)(C)C 890566656 582456981 /nfs/dbraw/zinc/45/69/81/582456981.db2.gz YBDCAORKMYKALZ-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C\SC 890560320 582456987 /nfs/dbraw/zinc/45/69/87/582456987.db2.gz WJSXHMCOBVSKMS-XZLDQRQTSA-N 0 0 197.303 2.040 10 30 AEEERN C=CC[C@H]1CCN1C(=O)CCCC 890565036 582456989 /nfs/dbraw/zinc/45/69/89/582456989.db2.gz JQEWVPCZSFZSGR-JTQLQIEISA-N 0 0 181.279 2.354 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C=C(C)C 890563705 582456991 /nfs/dbraw/zinc/45/69/91/582456991.db2.gz ADANISYIZPGECN-SNVBAGLBSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C\SC 890560318 582456993 /nfs/dbraw/zinc/45/69/93/582456993.db2.gz WJSXHMCOBVSKMS-JGAIRUGNSA-N 0 0 197.303 2.040 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C\C1CC1 890560546 582456994 /nfs/dbraw/zinc/45/69/94/582456994.db2.gz YWFUAXBIXBXDPG-JMEBYUIHSA-N 0 0 191.274 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C/SC 890560317 582457011 /nfs/dbraw/zinc/45/70/11/582457011.db2.gz WJSXHMCOBVSKMS-BNICOGTQSA-N 0 0 197.303 2.040 10 30 AEEERN C=CC[C@H]1CCN1C(=O)c1ccco1 890564500 582457012 /nfs/dbraw/zinc/45/70/12/582457012.db2.gz PVPZQHUPXVUPLL-VIFPVBQESA-N 0 0 191.230 2.070 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C(C)=C\C 890559283 582457020 /nfs/dbraw/zinc/45/70/20/582457020.db2.gz KJBRTVCPRJDBKN-BSKOKIOFSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C(C)=C/C 890559286 582457027 /nfs/dbraw/zinc/45/70/27/582457027.db2.gz KJBRTVCPRJDBKN-NAZIUFLLSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C\C1CC1 890560549 582457043 /nfs/dbraw/zinc/45/70/43/582457043.db2.gz YWFUAXBIXBXDPG-ZADCQDASSA-N 0 0 191.274 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C/SC 890560319 582457045 /nfs/dbraw/zinc/45/70/45/582457045.db2.gz WJSXHMCOBVSKMS-ORZBULNSSA-N 0 0 197.303 2.040 10 30 AEEERN C=CC[C@H]1CCN1C(=O)[C@@H](C)CC 890562076 582457050 /nfs/dbraw/zinc/45/70/50/582457050.db2.gz QUDKBYOUVUXYQB-UWVGGRQHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C(C)=C\C 890559285 582457063 /nfs/dbraw/zinc/45/70/63/582457063.db2.gz KJBRTVCPRJDBKN-HYHWUIIZSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)C=C1CCC1 890559984 582457070 /nfs/dbraw/zinc/45/70/70/582457070.db2.gz SCRMLBBQOLKNPP-LLVKDONJSA-N 0 0 191.274 2.274 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)/C=C/C1CC1 890560548 582457074 /nfs/dbraw/zinc/45/70/74/582457074.db2.gz YWFUAXBIXBXDPG-XUIVZRPNSA-N 0 0 191.274 2.130 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C1CCCC1 890564055 582457079 /nfs/dbraw/zinc/45/70/79/582457079.db2.gz HZURJVHMRCODGL-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C=CC[C@H]1CCN1C(=O)c1ccoc1 890566441 582457088 /nfs/dbraw/zinc/45/70/88/582457088.db2.gz VXWXCGWMGSUSSZ-JTQLQIEISA-N 0 0 191.230 2.070 10 30 AEEERN C=CCCC(=O)N1CC[C@H]1CC=C 890561226 582457102 /nfs/dbraw/zinc/45/71/02/582457102.db2.gz XIUZOEVRYPZTKF-SNVBAGLBSA-N 0 0 179.263 2.130 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)CC(C)C 890565153 582457105 /nfs/dbraw/zinc/45/71/05/582457105.db2.gz YNKPIRINOMKHJV-SNVBAGLBSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@@H]1CCN1C(=O)[C@@H](C)CC 890562077 582457109 /nfs/dbraw/zinc/45/71/09/582457109.db2.gz QUDKBYOUVUXYQB-VHSXEESVSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)C(C)(C)C 890566657 582457113 /nfs/dbraw/zinc/45/71/13/582457113.db2.gz YBDCAORKMYKALZ-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@H]1CCN1C(=O)/C=C/C=C\C 890564156 582457115 /nfs/dbraw/zinc/45/71/15/582457115.db2.gz KATOHTPTNLNGJE-YTZNHQAPSA-N 0 0 191.274 2.296 10 30 AEEERN C#CCON=CCc1ccc(F)cc1 812232860 582457423 /nfs/dbraw/zinc/45/74/23/582457423.db2.gz HZCIENRHQJHQAS-UHFFFAOYSA-N 0 0 191.205 2.004 10 30 AEEERN C#C[C@]1(O)CCc2c(Cl)cccc21 757123845 582457646 /nfs/dbraw/zinc/45/76/46/582457646.db2.gz SWFAOJXKYFAWQY-NSHDSACASA-N 0 0 192.645 2.107 10 30 AEEERN C#C[C@@]1(O)CCc2c(Cl)cccc21 757123841 582458021 /nfs/dbraw/zinc/45/80/21/582458021.db2.gz SWFAOJXKYFAWQY-LLVKDONJSA-N 0 0 192.645 2.107 10 30 AEEERN C=C[C@H](C)N1C(=S)N=NC1CCC 757131217 582458235 /nfs/dbraw/zinc/45/82/35/582458235.db2.gz OHNLMIJCGQZIJA-ZETCQYMHSA-N 0 0 197.307 2.266 10 30 AEEERN Cn1ccc2cc(NCC#N)ccc21 757130602 582458269 /nfs/dbraw/zinc/45/82/69/582458269.db2.gz NMYFQJDEGAWEND-UHFFFAOYSA-N 0 0 185.230 2.114 10 30 AEEERN C=C[C@@H](C)N1C(=S)N=NC1CCC 757131190 582458441 /nfs/dbraw/zinc/45/84/41/582458441.db2.gz OHNLMIJCGQZIJA-SSDOTTSWSA-N 0 0 197.307 2.266 10 30 AEEERN C#CCNc1ccc2c(ccn2C)c1 757128044 582458609 /nfs/dbraw/zinc/45/86/09/582458609.db2.gz IPFPPWSZPOOVJV-UHFFFAOYSA-N 0 0 184.242 2.223 10 30 AEEERN C=C[C@@H](C)N1C(=S)N=NC1C1CC1 757133805 582458873 /nfs/dbraw/zinc/45/88/73/582458873.db2.gz UXULMNILVJTJOA-ZCFIWIBFSA-N 0 0 195.291 2.191 10 30 AEEERN C=C(C)CCOC(=O)c1cccnc1 219060452 582458941 /nfs/dbraw/zinc/45/89/41/582458941.db2.gz UAYIIYVGXNLZEX-UHFFFAOYSA-N 0 0 191.230 2.205 10 30 AEEERN C=C[C@H](C)N1C(=S)N=NC1C(C)C 757132578 582459080 /nfs/dbraw/zinc/45/90/80/582459080.db2.gz QHKQGKPAQAHYQK-ZETCQYMHSA-N 0 0 197.307 2.437 10 30 AEEERN C=CCNc1ccc2c(c1)CCN2C 757133751 582459222 /nfs/dbraw/zinc/45/92/22/582459222.db2.gz UBZYEVRSLZDFPA-UHFFFAOYSA-N 0 0 188.274 2.277 10 30 AEEERN C=C[C@@H](C)N1C(=S)N=NC1C(C)C 757132573 582459309 /nfs/dbraw/zinc/45/93/09/582459309.db2.gz QHKQGKPAQAHYQK-SSDOTTSWSA-N 0 0 197.307 2.437 10 30 AEEERN C=C[C@H](C)N1C(=S)N=NC1C1CC1 757133796 582459328 /nfs/dbraw/zinc/45/93/28/582459328.db2.gz UXULMNILVJTJOA-LURJTMIESA-N 0 0 195.291 2.191 10 30 AEEERN C=C(C)CCOC(=O)C12CC(C1)C2 860273139 582459781 /nfs/dbraw/zinc/45/97/81/582459781.db2.gz PKHWFNPPYHIRAK-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN N#Cc1ccnc(SC(F)F)c1 757136812 582460040 /nfs/dbraw/zinc/46/00/40/582460040.db2.gz SQLLZMPFCOWSEE-UHFFFAOYSA-N 0 0 186.186 2.268 10 30 AEEERN CC(C)(CS)CCC#N 757163434 582468187 /nfs/dbraw/zinc/46/81/87/582468187.db2.gz PTOYSHHOKXPTMU-UHFFFAOYSA-N 0 0 143.255 2.246 10 30 AEEERN S[C@H]1C[C@@H]2CC[C@@H]2C1 757161962 582468195 /nfs/dbraw/zinc/46/81/95/582468195.db2.gz AHAIEYLBKAHQGB-KVSKUHBBSA-N 0 0 128.240 2.105 10 30 AEEERN CCc1cccc(CS)c1O 757160212 582468057 /nfs/dbraw/zinc/46/80/57/582468057.db2.gz MESAUBOAERRCEW-UHFFFAOYSA-N 0 0 168.261 2.384 10 30 AEEERN Oc1cccc2c1CC[C@@H]2S 757163628 582468059 /nfs/dbraw/zinc/46/80/59/582468059.db2.gz QYOQLQRUZBWTLN-VIFPVBQESA-N 0 0 166.245 2.309 10 30 AEEERN Cc1cc(F)c2c(c1)[C@H](S)C(=O)N2 757160476 582468076 /nfs/dbraw/zinc/46/80/76/582468076.db2.gz OQTRPBCTAFCPNC-QMMMGPOBSA-N 0 0 197.234 2.057 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H](F)C(C)C 860900967 582468077 /nfs/dbraw/zinc/46/80/77/582468077.db2.gz LPUUMAQLYMBAEY-RKDXNWHRSA-N 0 0 188.242 2.488 10 30 AEEERN SC1C[C@H]2CC[C@@H]2C1 757161965 582468155 /nfs/dbraw/zinc/46/81/55/582468155.db2.gz AHAIEYLBKAHQGB-PHDIDXHHSA-N 0 0 128.240 2.105 10 30 AEEERN SCc1ncc(Cl)s1 757160400 582468134 /nfs/dbraw/zinc/46/81/34/582468134.db2.gz OJKIXTMLZJTKBK-UHFFFAOYSA-N 0 0 165.670 2.226 10 30 AEEERN O=[N+]([O-])c1ccc(CS)s1 757160359 582468142 /nfs/dbraw/zinc/46/81/42/582468142.db2.gz NXWDRTNXBPPGBN-UHFFFAOYSA-N 0 0 175.234 2.086 10 30 AEEERN C=CC[C@@H](C)OC(=O)C(C)(C)F 860900789 582468148 /nfs/dbraw/zinc/46/81/48/582468148.db2.gz HNZMHXXYIQVPDV-SSDOTTSWSA-N 0 0 174.215 2.242 10 30 AEEERN Oc1cccc(Cl)c1CS 757163266 582468217 /nfs/dbraw/zinc/46/82/17/582468217.db2.gz MHDNNCGWGHGBKT-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN O=C1Nc2c(Cl)cccc2[C@@H]1S 757163698 582468229 /nfs/dbraw/zinc/46/82/29/582468229.db2.gz RHTKEJVXCIOAOA-ZETCQYMHSA-N 0 0 199.662 2.263 10 30 AEEERN S[C@H]1CCOC12CCCCC2 757163618 582468234 /nfs/dbraw/zinc/46/82/34/582468234.db2.gz QQKVZKUIOULMFE-QMMMGPOBSA-N 0 0 172.293 2.408 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H](F)C(C)C 860900963 582468244 /nfs/dbraw/zinc/46/82/44/582468244.db2.gz LPUUMAQLYMBAEY-DTWKUNHWSA-N 0 0 188.242 2.488 10 30 AEEERN SCc1ccc(C2OCCO2)cc1 757163516 582468255 /nfs/dbraw/zinc/46/82/55/582468255.db2.gz QLANMLZDVVNVLO-UHFFFAOYSA-N 0 0 196.271 2.162 10 30 AEEERN S[C@H]1CC[C@@H]2CC[C@H]12 757161970 582468273 /nfs/dbraw/zinc/46/82/73/582468273.db2.gz AKHZFSPHMPIHRL-ACZMJKKPSA-N 0 0 128.240 2.105 10 30 AEEERN Cc1cc(C)c2c(c1)[C@@H](S)C(=O)N2 757162831 582468287 /nfs/dbraw/zinc/46/82/87/582468287.db2.gz IZBVOHWQNWLQRF-SECBINFHSA-N 0 0 193.271 2.226 10 30 AEEERN O=C1Nc2ccc(Cl)cc2[C@H]1S 757162472 582468296 /nfs/dbraw/zinc/46/82/96/582468296.db2.gz ISOSFQCKEDKCOL-SSDOTTSWSA-N 0 0 199.662 2.263 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H](F)C(C)C 860900959 582468307 /nfs/dbraw/zinc/46/83/07/582468307.db2.gz LPUUMAQLYMBAEY-BDAKNGLRSA-N 0 0 188.242 2.488 10 30 AEEERN Oc1c(Cl)cccc1CS 757160362 582468311 /nfs/dbraw/zinc/46/83/11/582468311.db2.gz NYHZPJNEFQCPET-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN SCc1cccc2c1OCCCO2 757163735 582468319 /nfs/dbraw/zinc/46/83/19/582468319.db2.gz RPJNQHWDWURUCD-UHFFFAOYSA-N 0 0 196.271 2.278 10 30 AEEERN C=CC[C@H](C)OC(=O)C(C)(C)F 860900790 582468327 /nfs/dbraw/zinc/46/83/27/582468327.db2.gz HNZMHXXYIQVPDV-ZETCQYMHSA-N 0 0 174.215 2.242 10 30 AEEERN S[C@@H]1CCOC12CCCCC2 757163610 582468338 /nfs/dbraw/zinc/46/83/38/582468338.db2.gz QQKVZKUIOULMFE-MRVPVSSYSA-N 0 0 172.293 2.408 10 30 AEEERN S[C@@H]1C[C@H]2CCC[C@@H]12 757163905 582468344 /nfs/dbraw/zinc/46/83/44/582468344.db2.gz UKDPZLZYCPJOOP-FSDSQADBSA-N 0 0 128.240 2.105 10 30 AEEERN Oc1c(CS)ccc(F)c1F 757162992 582468720 /nfs/dbraw/zinc/46/87/20/582468720.db2.gz KBQQSFXUXHLYCF-UHFFFAOYSA-N 0 0 176.187 2.100 10 30 AEEERN Cc1cc(F)c2c(c1)[C@@H](S)C(=O)N2 757160469 582468465 /nfs/dbraw/zinc/46/84/65/582468465.db2.gz OQTRPBCTAFCPNC-MRVPVSSYSA-N 0 0 197.234 2.057 10 30 AEEERN Cc1cc(C)c2c(c1)[C@H](S)C(=O)N2 757162832 582468499 /nfs/dbraw/zinc/46/84/99/582468499.db2.gz IZBVOHWQNWLQRF-VIFPVBQESA-N 0 0 193.271 2.226 10 30 AEEERN S[C@@H]1C[C@@H]2CCC[C@H]21 757163906 582468527 /nfs/dbraw/zinc/46/85/27/582468527.db2.gz UKDPZLZYCPJOOP-RRKCRQDMSA-N 0 0 128.240 2.105 10 30 AEEERN Oc1cccc2c1CC[C@H]2S 757163625 582468541 /nfs/dbraw/zinc/46/85/41/582468541.db2.gz QYOQLQRUZBWTLN-SECBINFHSA-N 0 0 166.245 2.309 10 30 AEEERN S[C@@H]1C[C@H]2CCC[C@H]12 757163903 582468545 /nfs/dbraw/zinc/46/85/45/582468545.db2.gz UKDPZLZYCPJOOP-DSYKOEDSSA-N 0 0 128.240 2.105 10 30 AEEERN SC1C[C@@H]2CC[C@H]2C1 757161969 582468549 /nfs/dbraw/zinc/46/85/49/582468549.db2.gz AHAIEYLBKAHQGB-WDSKDSINSA-N 0 0 128.240 2.105 10 30 AEEERN O=C1Nc2c(Cl)cccc2[C@H]1S 757163687 582468580 /nfs/dbraw/zinc/46/85/80/582468580.db2.gz RHTKEJVXCIOAOA-SSDOTTSWSA-N 0 0 199.662 2.263 10 30 AEEERN O=C1Nc2ccc(Cl)cc2[C@@H]1S 757162821 582468583 /nfs/dbraw/zinc/46/85/83/582468583.db2.gz ISOSFQCKEDKCOL-ZETCQYMHSA-N 0 0 199.662 2.263 10 30 AEEERN SCc1ccnn1C1CCC1 757163488 582468588 /nfs/dbraw/zinc/46/85/88/582468588.db2.gz QEYUIWUNWYRXNU-UHFFFAOYSA-N 0 0 168.265 2.038 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H](F)C(C)C 860900965 582468610 /nfs/dbraw/zinc/46/86/10/582468610.db2.gz LPUUMAQLYMBAEY-IUCAKERBSA-N 0 0 188.242 2.488 10 30 AEEERN CC[C@]1(CS)CCCCO1 757164213 582468749 /nfs/dbraw/zinc/46/87/49/582468749.db2.gz YLBHAARJQYGIBN-MRVPVSSYSA-N 0 0 160.282 2.266 10 30 AEEERN CCOC(=O)[C@@H]1CCC[C@@H](S)C1 757163942 582468759 /nfs/dbraw/zinc/46/87/59/582468759.db2.gz VSQDUIOTFKVOEP-HTQZYQBOSA-N 0 0 188.292 2.038 10 30 AEEERN CCc1ccc(CSCC=O)o1 757164492 582468845 /nfs/dbraw/zinc/46/88/45/582468845.db2.gz HPVXNOSCHSRXSO-UHFFFAOYSA-N 0 0 184.260 2.274 10 30 AEEERN Cc1ccc(C)c2c1NC(=O)[C@H]2S 757164032 582468851 /nfs/dbraw/zinc/46/88/51/582468851.db2.gz XMQNTDLOSCROEN-VIFPVBQESA-N 0 0 193.271 2.226 10 30 AEEERN CCOC(=O)[C@H]1CCC[C@@H](S)C1 757163943 582468890 /nfs/dbraw/zinc/46/88/90/582468890.db2.gz VSQDUIOTFKVOEP-JGVFFNPUSA-N 0 0 188.292 2.038 10 30 AEEERN C#CCOc1ccccc1CS 757163914 582468894 /nfs/dbraw/zinc/46/88/94/582468894.db2.gz UUHDUBFLYGKANB-UHFFFAOYSA-N 0 0 178.256 2.128 10 30 AEEERN CC(=O)Nc1ccccc1CS 757164662 582468927 /nfs/dbraw/zinc/46/89/27/582468927.db2.gz IDXBWVHMRHRELX-UHFFFAOYSA-N 0 0 181.260 2.075 10 30 AEEERN C[C@@H](S)c1ccns1 757163054 582468969 /nfs/dbraw/zinc/46/89/69/582468969.db2.gz KGBZBJMMHKDOJP-SCSAIBSYSA-N 0 0 145.252 2.134 10 30 AEEERN N#Cc1csc(CS)c1 757164963 582468972 /nfs/dbraw/zinc/46/89/72/582468972.db2.gz JYFIGVZAWKJGKL-UHFFFAOYSA-N 0 0 155.247 2.050 10 30 AEEERN Cn1ccnc1[C@@H](S)c1ccco1 757163004 582468981 /nfs/dbraw/zinc/46/89/81/582468981.db2.gz KCPGWDIZMWQUJI-QMMMGPOBSA-N 0 0 194.259 2.032 10 30 AEEERN N#Cc1cc(F)c(CS)c(F)c1 757165762 582468989 /nfs/dbraw/zinc/46/89/89/582468989.db2.gz PHFCHKLNFURIAD-UHFFFAOYSA-N 0 0 185.198 2.266 10 30 AEEERN CC[C@@]1(CS)CCCCO1 757164222 582468992 /nfs/dbraw/zinc/46/89/92/582468992.db2.gz YLBHAARJQYGIBN-QMMMGPOBSA-N 0 0 160.282 2.266 10 30 AEEERN CC(C)(O)c1ccc(CS)cc1 757164309 582469017 /nfs/dbraw/zinc/46/90/17/582469017.db2.gz ZPHAVHGGHGNXDC-UHFFFAOYSA-N 0 0 182.288 2.344 10 30 AEEERN C[C@H](S)c1ccns1 757163013 582469018 /nfs/dbraw/zinc/46/90/18/582469018.db2.gz KGBZBJMMHKDOJP-BYPYZUCNSA-N 0 0 145.252 2.134 10 30 AEEERN CCOC(=O)[C@H]1CCC[C@H](S)C1 757163946 582469019 /nfs/dbraw/zinc/46/90/19/582469019.db2.gz VSQDUIOTFKVOEP-YUMQZZPRSA-N 0 0 188.292 2.038 10 30 AEEERN Cc1ccc(C)c2c1NC(=O)[C@@H]2S 757164024 582469022 /nfs/dbraw/zinc/46/90/22/582469022.db2.gz XMQNTDLOSCROEN-SECBINFHSA-N 0 0 193.271 2.226 10 30 AEEERN CCOC(=O)[C@@H]1CCC[C@H](S)C1 757163945 582469045 /nfs/dbraw/zinc/46/90/45/582469045.db2.gz VSQDUIOTFKVOEP-SFYZADRCSA-N 0 0 188.292 2.038 10 30 AEEERN SCc1ccc(-n2ccnc2)cc1 757164289 582469069 /nfs/dbraw/zinc/46/90/69/582469069.db2.gz ZIVXJBPZVOSCDE-UHFFFAOYSA-N 0 0 190.271 2.302 10 30 AEEERN O=c1ccc2c([nH]1)CCC[C@H]2S 757165764 582469086 /nfs/dbraw/zinc/46/90/86/582469086.db2.gz PIMDHIZVFXZTCJ-MRVPVSSYSA-N 0 0 181.260 2.094 10 30 AEEERN Cn1ccnc1[C@H](S)c1ccco1 757162998 582469166 /nfs/dbraw/zinc/46/91/66/582469166.db2.gz KCPGWDIZMWQUJI-MRVPVSSYSA-N 0 0 194.259 2.032 10 30 AEEERN Cc1ccoc1CSCC=O 757163998 582469186 /nfs/dbraw/zinc/46/91/86/582469186.db2.gz GHDJQSSHNIKWRQ-UHFFFAOYSA-N 0 0 170.233 2.020 10 30 AEEERN CCc1ccc2c(c1)[C@H](S)C(=O)N2 757166333 582469289 /nfs/dbraw/zinc/46/92/89/582469289.db2.gz SMJUYKVCVQIEON-VIFPVBQESA-N 0 0 193.271 2.172 10 30 AEEERN O=c1ccc2c([nH]1)CCC[C@@H]2S 757165767 582469424 /nfs/dbraw/zinc/46/94/24/582469424.db2.gz PIMDHIZVFXZTCJ-QMMMGPOBSA-N 0 0 181.260 2.094 10 30 AEEERN CCCn1cccc1CS 757166459 582469425 /nfs/dbraw/zinc/46/94/25/582469425.db2.gz VLVGIFHKTUKSKH-UHFFFAOYSA-N 0 0 155.266 2.328 10 30 AEEERN CCc1ccc2c(c1)[C@@H](S)C(=O)N2 757166331 582469450 /nfs/dbraw/zinc/46/94/50/582469450.db2.gz SMJUYKVCVQIEON-SECBINFHSA-N 0 0 193.271 2.172 10 30 AEEERN C[C@@H](S)C1(Cl)CC1 757165737 582469451 /nfs/dbraw/zinc/46/94/51/582469451.db2.gz OAFQOWPBVAQAFD-SCSAIBSYSA-N 0 0 136.647 2.076 10 30 AEEERN Oc1cccc2c1[C@H](S)CC2 757165738 582469460 /nfs/dbraw/zinc/46/94/60/582469460.db2.gz OBCXJKGQCYSHFT-MRVPVSSYSA-N 0 0 166.245 2.309 10 30 AEEERN CN1C(=O)C[C@@H](S)c2ccccc21 757165469 582469497 /nfs/dbraw/zinc/46/94/97/582469497.db2.gz LGECYXUPBZLHKR-SECBINFHSA-N 0 0 193.271 2.024 10 30 AEEERN Oc1cccc2c1[C@@H](S)CC2 757165743 582469501 /nfs/dbraw/zinc/46/95/01/582469501.db2.gz OBCXJKGQCYSHFT-QMMMGPOBSA-N 0 0 166.245 2.309 10 30 AEEERN Cc1nc2ccccn2c1CS 757166954 582469511 /nfs/dbraw/zinc/46/95/11/582469511.db2.gz YITQVSZZDDGYFH-UHFFFAOYSA-N 0 0 178.260 2.073 10 30 AEEERN Cc1ccoc1CS[C@@H](C)C=O 757165224 582469520 /nfs/dbraw/zinc/46/95/20/582469520.db2.gz FNUUVOOOKPANFX-QMMMGPOBSA-N 0 0 184.260 2.409 10 30 AEEERN CN1C(=O)C[C@H](S)c2ccccc21 757165474 582469534 /nfs/dbraw/zinc/46/95/34/582469534.db2.gz LGECYXUPBZLHKR-VIFPVBQESA-N 0 0 193.271 2.024 10 30 AEEERN Cc1ccoc1CSC[C@H]1CO1 757166916 582469538 /nfs/dbraw/zinc/46/95/38/582469538.db2.gz SWHCIGLOFLHGIQ-MRVPVSSYSA-N 0 0 184.260 2.220 10 30 AEEERN CSC1(CS)CCC1 757167045 582469558 /nfs/dbraw/zinc/46/95/58/582469558.db2.gz ZCZRLEQMWRUECR-UHFFFAOYSA-N 0 0 148.296 2.202 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H](C)C(C)C 891269189 582476224 /nfs/dbraw/zinc/47/62/24/582476224.db2.gz HJRKMMDMIVYGIO-VIFPVBQESA-N 0 0 183.295 2.359 10 30 AEEERN C=C[C@H](C)ON=C(C)CCCOC 844621288 582474338 /nfs/dbraw/zinc/47/43/38/582474338.db2.gz FUUUQXXRGLGBDV-JTQLQIEISA-N 0 0 185.267 2.380 10 30 AEEERN Cc1ccoc1CS[C@H](C)C=O 757165210 582469629 /nfs/dbraw/zinc/46/96/29/582469629.db2.gz FNUUVOOOKPANFX-MRVPVSSYSA-N 0 0 184.260 2.409 10 30 AEEERN S[C@@H]1CCCc2cnccc21 757166940 582469639 /nfs/dbraw/zinc/46/96/39/582469639.db2.gz YGNMGTRUAULKAI-SECBINFHSA-N 0 0 165.261 2.389 10 30 AEEERN C[C@H](S)C1(Cl)CC1 757165735 582469664 /nfs/dbraw/zinc/46/96/64/582469664.db2.gz OAFQOWPBVAQAFD-BYPYZUCNSA-N 0 0 136.647 2.076 10 30 AEEERN Oc1ccc2c(c1)CC[C@H]2S 757166917 582469702 /nfs/dbraw/zinc/46/97/02/582469702.db2.gz XTJZTWSOBGNGIO-SECBINFHSA-N 0 0 166.245 2.309 10 30 AEEERN Oc1ccc2c(c1)CC[C@@H]2S 757166918 582469704 /nfs/dbraw/zinc/46/97/04/582469704.db2.gz XTJZTWSOBGNGIO-VIFPVBQESA-N 0 0 166.245 2.309 10 30 AEEERN Oc1cccc(CS)c1Cl 757166946 582469739 /nfs/dbraw/zinc/46/97/39/582469739.db2.gz YHEJLMYOYAUERW-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN S[C@H]1CCCc2cnccc21 757166942 582469766 /nfs/dbraw/zinc/46/97/66/582469766.db2.gz YGNMGTRUAULKAI-VIFPVBQESA-N 0 0 165.261 2.389 10 30 AEEERN Cc1ccoc1CSC[C@@H]1CO1 757166919 582469778 /nfs/dbraw/zinc/46/97/78/582469778.db2.gz SWHCIGLOFLHGIQ-QMMMGPOBSA-N 0 0 184.260 2.220 10 30 AEEERN C=CC[C@H](C)OC(=O)/C=C/SC 860903464 582469869 /nfs/dbraw/zinc/46/98/69/582469869.db2.gz AAACAOSFZRZERT-CZEYKFRCSA-N 0 0 186.276 2.371 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C=C/SC 860903465 582469891 /nfs/dbraw/zinc/46/98/91/582469891.db2.gz AAACAOSFZRZERT-HYDMIIDASA-N 0 0 186.276 2.371 10 30 AEEERN Cc1ccoc1CSCCC=O 757167365 582469983 /nfs/dbraw/zinc/46/99/83/582469983.db2.gz WHDDPRCFOOLHMD-UHFFFAOYSA-N 0 0 184.260 2.410 10 30 AEEERN Cc1cc(F)cc2c1NC(=O)[C@H]2S 757166906 582469984 /nfs/dbraw/zinc/46/99/84/582469984.db2.gz XIHRXZZZUFGHLB-QMMMGPOBSA-N 0 0 197.234 2.057 10 30 AEEERN C=CC[C@H](C)OC(=O)/C=C\SC 860903467 582470050 /nfs/dbraw/zinc/47/00/50/582470050.db2.gz AAACAOSFZRZERT-UAPHAKCISA-N 0 0 186.276 2.371 10 30 AEEERN C#CCSCc1occc1C 757167584 582470168 /nfs/dbraw/zinc/47/01/68/582470168.db2.gz XIHOOJVXJNSKCI-UHFFFAOYSA-N 0 0 166.245 2.454 10 30 AEEERN C=CC(C)(C)NC(=O)c1cocc1C 891267220 582476227 /nfs/dbraw/zinc/47/62/27/582476227.db2.gz RSVLUTAWUALPDI-UHFFFAOYSA-N 0 0 193.246 2.282 10 30 AEEERN Cc1ccoc1CSCC#N 757167878 582470255 /nfs/dbraw/zinc/47/02/55/582470255.db2.gz YYPDBFBPTYLJRR-UHFFFAOYSA-N 0 0 167.233 2.345 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C=C\SC 860903466 582470305 /nfs/dbraw/zinc/47/03/05/582470305.db2.gz AAACAOSFZRZERT-NFXKFNAJSA-N 0 0 186.276 2.371 10 30 AEEERN CCc1ccc(CSC[C@@H]2CO2)o1 757169840 582470364 /nfs/dbraw/zinc/47/03/64/582470364.db2.gz MTVIKSJXPJGXMO-JTQLQIEISA-N 0 0 198.287 2.474 10 30 AEEERN C=CC(C)(C)NC(=O)CCC1CC1 891268985 582476230 /nfs/dbraw/zinc/47/62/30/582476230.db2.gz CTCTVJHWQAIRRM-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN Cc1cc(F)cc2c1NC(=O)[C@@H]2S 757166903 582470398 /nfs/dbraw/zinc/47/03/98/582470398.db2.gz XIHRXZZZUFGHLB-MRVPVSSYSA-N 0 0 197.234 2.057 10 30 AEEERN CCc1ccc(CSC[C@H]2CO2)o1 757169857 582470447 /nfs/dbraw/zinc/47/04/47/582470447.db2.gz MTVIKSJXPJGXMO-SNVBAGLBSA-N 0 0 198.287 2.474 10 30 AEEERN C=C(C(=O)OCC)C1CCCC1 757171721 582470869 /nfs/dbraw/zinc/47/08/69/582470869.db2.gz VPQZBEBHNCEGMY-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN N#Cc1c(C2CCCC2)c[nH]c1N 757171737 582471038 /nfs/dbraw/zinc/47/10/38/582471038.db2.gz WCVIVEXGWJWCOL-UHFFFAOYSA-N 0 0 175.235 2.126 10 30 AEEERN C=CCCC(=O)N[C@@H]1CC=CC[C@H]1C 890771068 582471249 /nfs/dbraw/zinc/47/12/49/582471249.db2.gz LDJXGLPBCVKZCV-GHMZBOCLSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccncc1 860907704 582471280 /nfs/dbraw/zinc/47/12/80/582471280.db2.gz LDADUEMVPVIJGN-VIFPVBQESA-N 0 0 191.230 2.203 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccncc1 860907703 582471549 /nfs/dbraw/zinc/47/15/49/582471549.db2.gz LDADUEMVPVIJGN-SECBINFHSA-N 0 0 191.230 2.203 10 30 AEEERN C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1C 890812548 582473379 /nfs/dbraw/zinc/47/33/79/582473379.db2.gz MGESNNHAXNTSQR-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCN(CC)C(=O)/C=C/C 890809252 582473409 /nfs/dbraw/zinc/47/34/09/582473409.db2.gz PZLWKGIDQQWNNK-WEVVVXLNSA-N 0 0 181.279 2.377 10 30 AEEERN C=CCCCN(CC)C(=O)C1(F)CC1 890810746 582473414 /nfs/dbraw/zinc/47/34/14/582473414.db2.gz CLSYAUXNENKEPA-UHFFFAOYSA-N 0 0 199.269 2.303 10 30 AEEERN C=CCCCN(CC)C(=O)CCF 890808775 582473424 /nfs/dbraw/zinc/47/34/24/582473424.db2.gz BKBZBMCQZDFVPL-UHFFFAOYSA-N 0 0 187.258 2.161 10 30 AEEERN C=CCCCN(CC)C(=O)[C@H]1C[C@@H]1C 890812558 582473468 /nfs/dbraw/zinc/47/34/68/582473468.db2.gz MGESNNHAXNTSQR-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCN(CC)C(=O)/C=C\C 890809251 582473519 /nfs/dbraw/zinc/47/35/19/582473519.db2.gz PZLWKGIDQQWNNK-UITAMQMPSA-N 0 0 181.279 2.377 10 30 AEEERN C#CCON=Cc1cccc(CC)c1 844595554 582474007 /nfs/dbraw/zinc/47/40/07/582474007.db2.gz AMMHPMWYZATQOG-UHFFFAOYSA-N 0 0 187.242 2.233 10 30 AEEERN C=C[C@@H](C)ON=Cc1ccc(C)cn1 844621489 582474262 /nfs/dbraw/zinc/47/42/62/582474262.db2.gz HYOKHFGVGHAFNH-SNVBAGLBSA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@@H](C)ON=C(C)CCCOC 844621290 582474340 /nfs/dbraw/zinc/47/43/40/582474340.db2.gz FUUUQXXRGLGBDV-SNVBAGLBSA-N 0 0 185.267 2.380 10 30 AEEERN C=C[C@@H](C)ON=Cc1nccs1 844623653 582474297 /nfs/dbraw/zinc/47/42/97/582474297.db2.gz DXADEZOEMDCNBF-SSDOTTSWSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@@H](C)ON=CC1(C)CCOCC1 844622437 582474316 /nfs/dbraw/zinc/47/43/16/582474316.db2.gz ZLWUXBBGENYDTC-SNVBAGLBSA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@H](C)ON=CC1(C)CCOCC1 844622436 582474365 /nfs/dbraw/zinc/47/43/65/582474365.db2.gz ZLWUXBBGENYDTC-JTQLQIEISA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@H](C)ON=Cc1nccs1 844623657 582474420 /nfs/dbraw/zinc/47/44/20/582474420.db2.gz DXADEZOEMDCNBF-ZETCQYMHSA-N 0 0 182.248 2.068 10 30 AEEERN C=CC(C)(C)NC(=O)/C(C)=C\C 891269155 582475994 /nfs/dbraw/zinc/47/59/94/582475994.db2.gz FVMISEUBZMYFLX-VURMDHGXSA-N 0 0 167.252 2.033 10 30 AEEERN C=CC(C)(C)NC(=O)C(F)(F)CC 891267298 582476014 /nfs/dbraw/zinc/47/60/14/582476014.db2.gz VIAYYHJCWJETSO-UHFFFAOYSA-N 0 0 191.221 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)C1CC2(CC2)C1 891267252 582476039 /nfs/dbraw/zinc/47/60/39/582476039.db2.gz SNYDICQPZCXIIB-UHFFFAOYSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC(C)(C)NC(=O)c1[nH]ccc1C 891267880 582476045 /nfs/dbraw/zinc/47/60/45/582476045.db2.gz FGFVZDXRWQEYEL-UHFFFAOYSA-N 0 0 192.262 2.018 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 891269343 582476051 /nfs/dbraw/zinc/47/60/51/582476051.db2.gz JHYLGGORRDTADR-MYJAWHEDSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)c1cc[nH]c1C 891269580 582476067 /nfs/dbraw/zinc/47/60/67/582476067.db2.gz LRVWKWLYJGZDEO-UHFFFAOYSA-N 0 0 192.262 2.018 10 30 AEEERN C=CCCCC(=O)NC(C)(C)C=C 891269829 582476088 /nfs/dbraw/zinc/47/60/88/582476088.db2.gz RBPMYJLEGBQXCA-UHFFFAOYSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)CC(C)(C)C#N 891267956 582476115 /nfs/dbraw/zinc/47/61/15/582476115.db2.gz GIRLQUVNQBEULL-UHFFFAOYSA-N 0 0 194.278 2.007 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1CC1(C)C 891270286 582476153 /nfs/dbraw/zinc/47/61/53/582476153.db2.gz NZAGOGJRADVVBR-QMMMGPOBSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)C1CC=CC1 891269961 582476155 /nfs/dbraw/zinc/47/61/55/582476155.db2.gz WHYAJWUTJCNXJY-UHFFFAOYSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC(C)(C)NC(=O)CCC(F)F 891268075 582476169 /nfs/dbraw/zinc/47/61/69/582476169.db2.gz KHDVGFLUAUNNBT-UHFFFAOYSA-N 0 0 191.221 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H](C)C1CC1 891268926 582476182 /nfs/dbraw/zinc/47/61/82/582476182.db2.gz AVAHYNTXYXPHQK-MRVPVSSYSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)/C(C)=C/C 891269154 582476246 /nfs/dbraw/zinc/47/62/46/582476246.db2.gz FVMISEUBZMYFLX-SOFGYWHQSA-N 0 0 167.252 2.033 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C\CCC 891267155 582476263 /nfs/dbraw/zinc/47/62/63/582476263.db2.gz POHVDUBIMLSKBI-HJWRWDBZSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C/CCC 891267154 582476269 /nfs/dbraw/zinc/47/62/69/582476269.db2.gz POHVDUBIMLSKBI-CMDGGOBGSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)C(C)=C(C)C 891269000 582476291 /nfs/dbraw/zinc/47/62/91/582476291.db2.gz CZGAUHHZWBETRQ-UHFFFAOYSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H]1C[C@@H]1C1CC1 891266843 582476301 /nfs/dbraw/zinc/47/63/01/582476301.db2.gz WJBCQHAXAJFLST-ZJUUUORDSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)C1=CCCC1 891270638 582476304 /nfs/dbraw/zinc/47/63/04/582476304.db2.gz VEQOHYRNEOGOKU-UHFFFAOYSA-N 0 0 179.263 2.178 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H](C)C1CC1 891268927 582476360 /nfs/dbraw/zinc/47/63/60/582476360.db2.gz AVAHYNTXYXPHQK-QMMMGPOBSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H](C)C(C)C 891269188 582476343 /nfs/dbraw/zinc/47/63/43/582476343.db2.gz HJRKMMDMIVYGIO-SECBINFHSA-N 0 0 183.295 2.359 10 30 AEEERN C=CC(C)(C)NC(=O)C=C1CCC1 891270615 582476345 /nfs/dbraw/zinc/47/63/45/582476345.db2.gz UUOBQURZUZFZAU-UHFFFAOYSA-N 0 0 179.263 2.178 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H]1CC1(C)C 891270285 582476357 /nfs/dbraw/zinc/47/63/57/582476357.db2.gz NZAGOGJRADVVBR-MRVPVSSYSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C\C1CC1 891269390 582476366 /nfs/dbraw/zinc/47/63/66/582476366.db2.gz KOOSOBXMOLCVLX-FPLPWBNLSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H]1CC12CCC2 891269108 582476373 /nfs/dbraw/zinc/47/63/73/582476373.db2.gz DVZJNORLEONQPR-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 891267218 582476383 /nfs/dbraw/zinc/47/63/83/582476383.db2.gz RSBGVTGEBWTDMU-MYJAWHEDSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)CC(C)(F)F 891268432 582476396 /nfs/dbraw/zinc/47/63/96/582476396.db2.gz UWKWGLFINRKBHQ-UHFFFAOYSA-N 0 0 191.221 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1CC12CCC2 891269109 582476408 /nfs/dbraw/zinc/47/64/08/582476408.db2.gz DVZJNORLEONQPR-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C/C1CC1 891269389 582476475 /nfs/dbraw/zinc/47/64/75/582476475.db2.gz KOOSOBXMOLCVLX-BQYQJAHWSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC(C)(C)NC(=O)NCCCC 891423547 582478017 /nfs/dbraw/zinc/47/80/17/582478017.db2.gz OSCUZGAHPNJYGB-UHFFFAOYSA-N 0 0 184.283 2.050 10 30 AEEERN C=CC(C)(C)NC(=O)NCCCCC 891412625 582478059 /nfs/dbraw/zinc/47/80/59/582478059.db2.gz BEJHSLOGQSOCHN-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C=CCCCN(CC)C(=O)NCC=C 891439001 582478308 /nfs/dbraw/zinc/47/83/08/582478308.db2.gz YTVOVWZGGRLZNG-UHFFFAOYSA-N 0 0 196.294 2.170 10 30 AEEERN C=CCNC(=O)NC1(CCCC)CC1 891438683 582478351 /nfs/dbraw/zinc/47/83/51/582478351.db2.gz QERZQNHUBJLJJL-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=CC(C)(C)NC(=O)NCCC(C)C 891437152 582478362 /nfs/dbraw/zinc/47/83/62/582478362.db2.gz QULAKNFWTPUIIZ-UHFFFAOYSA-N 0 0 198.310 2.296 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@H](C)CCC 891460752 582478420 /nfs/dbraw/zinc/47/84/20/582478420.db2.gz RPNFASIEHDOJNO-SECBINFHSA-N 0 0 198.310 2.439 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@@H](C)CCC 891460753 582478426 /nfs/dbraw/zinc/47/84/26/582478426.db2.gz RPNFASIEHDOJNO-VIFPVBQESA-N 0 0 198.310 2.439 10 30 AEEERN C=C(C)CN(CC)c1cc(C)cnn1 891723989 582478834 /nfs/dbraw/zinc/47/88/34/582478834.db2.gz VARLKJKHCAZSFG-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@H]1C[C@@H]1C 847861145 582478995 /nfs/dbraw/zinc/47/89/95/582478995.db2.gz VEYNWPGFOZTZSP-DCAQKATOSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@@H]1C[C@H]1C 847861148 582479095 /nfs/dbraw/zinc/47/90/95/582479095.db2.gz VEYNWPGFOZTZSP-OUAUKWLOSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H]1CC(=O)CCC1(C)C 223007170 582479164 /nfs/dbraw/zinc/47/91/64/582479164.db2.gz QMMXHKXMAAEDAD-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN CCCNN=C(C)[C@H]1CC1(F)F 841620304 582479257 /nfs/dbraw/zinc/47/92/57/582479257.db2.gz VBAHKGOQMWNYPA-SSDOTTSWSA-N 0 0 176.210 2.017 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 847861147 582479316 /nfs/dbraw/zinc/47/93/16/582479316.db2.gz VEYNWPGFOZTZSP-GARJFASQSA-N 0 0 194.274 2.378 10 30 AEEERN CCCNN=C(C)[C@@H]1CC1(F)F 841620323 582479366 /nfs/dbraw/zinc/47/93/66/582479366.db2.gz VBAHKGOQMWNYPA-ZETCQYMHSA-N 0 0 176.210 2.017 10 30 AEEERN C#CCCC[C@H](C)OC(=O)[C@H]1C[C@H]1C 847861151 582479377 /nfs/dbraw/zinc/47/93/77/582479377.db2.gz VEYNWPGFOZTZSP-VWYCJHECSA-N 0 0 194.274 2.378 10 30 AEEERN C=CCCCN(CC)C(=O)NCC 891947603 582479384 /nfs/dbraw/zinc/47/93/84/582479384.db2.gz KTVZHAOMCWFEJW-UHFFFAOYSA-N 0 0 184.283 2.004 10 30 AEEERN C=CC1(CC(=O)NO)CCCCC1 892165702 582481213 /nfs/dbraw/zinc/48/12/13/582481213.db2.gz ZGJZNUNBSGHIAZ-UHFFFAOYSA-N 0 0 183.251 2.018 10 30 AEEERN Cc1cc(C#N)nc(N[C@H]2C[C@@H]2C)c1 892300865 582482254 /nfs/dbraw/zinc/48/22/54/582482254.db2.gz SLVAEIZJIZLSNB-WPRPVWTQSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(C#N)nc(N[C@H]2C[C@H]2C)c1 892300862 582482286 /nfs/dbraw/zinc/48/22/86/582482286.db2.gz SLVAEIZJIZLSNB-SCZZXKLOSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(C#N)nc(N[C@@H]2C[C@@H]2C)c1 892300864 582482318 /nfs/dbraw/zinc/48/23/18/582482318.db2.gz SLVAEIZJIZLSNB-WCBMZHEXSA-N 0 0 187.246 2.082 10 30 AEEERN C#CCCCCC(=O)O[C@H]1C=CCC1 780555266 582482323 /nfs/dbraw/zinc/48/23/23/582482323.db2.gz LICKACLRYWEHPS-NSHDSACASA-N 0 0 192.258 2.442 10 30 AEEERN C#CCCCCC(=O)O[C@@H]1C=CCC1 780555265 582482390 /nfs/dbraw/zinc/48/23/90/582482390.db2.gz LICKACLRYWEHPS-LLVKDONJSA-N 0 0 192.258 2.442 10 30 AEEERN C(CC[C@@H]1CCO1)=NNC1CCCC1 841626754 582483095 /nfs/dbraw/zinc/48/30/95/582483095.db2.gz JSGHEAUGNIDKMG-LLVKDONJSA-N 0 0 196.294 2.074 10 30 AEEERN C(CC[C@H]1CCO1)=NNC1CCCC1 841626760 582483159 /nfs/dbraw/zinc/48/31/59/582483159.db2.gz JSGHEAUGNIDKMG-NSHDSACASA-N 0 0 196.294 2.074 10 30 AEEERN C#C[C@@H](C)OC(=O)CC1=CCCCC1 744181069 582484524 /nfs/dbraw/zinc/48/45/24/582484524.db2.gz JBUBZQCKXYMWFI-SNVBAGLBSA-N 0 0 192.258 2.442 10 30 AEEERN C#C[C@H](C)OC(=O)CC1=CCCCC1 744181068 582484653 /nfs/dbraw/zinc/48/46/53/582484653.db2.gz JBUBZQCKXYMWFI-JTQLQIEISA-N 0 0 192.258 2.442 10 30 AEEERN CC[C@H](S)C(F)(F)F 141847661 582485281 /nfs/dbraw/zinc/48/52/81/582485281.db2.gz VHEAOVGFUBPJDX-VKHMYHEASA-N 0 0 144.161 2.257 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C 306464884 582486717 /nfs/dbraw/zinc/48/67/17/582486717.db2.gz CZRMBMZZLSSNHN-LPEHRKFASA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C 306464877 582486859 /nfs/dbraw/zinc/48/68/59/582486859.db2.gz CZRMBMZZLSSNHN-GUBZILKMSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1CCC[C@H]1C 306464886 582486907 /nfs/dbraw/zinc/48/69/07/582486907.db2.gz CZRMBMZZLSSNHN-UTLUCORTSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C 306464880 582487061 /nfs/dbraw/zinc/48/70/61/582487061.db2.gz CZRMBMZZLSSNHN-KXUCPTDWSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)c1csc(C)c1 306491980 582487098 /nfs/dbraw/zinc/48/70/98/582487098.db2.gz WRTIZICIJABOBO-ZETCQYMHSA-N 0 0 195.287 2.361 10 30 AEEERN C=C(C)CNC(=O)C[C@@H]1C=CCC1 393710351 582494401 /nfs/dbraw/zinc/49/44/01/582494401.db2.gz ICSVWWWDEOBWQL-SNVBAGLBSA-N 0 0 179.263 2.035 10 30 AEEERN Cc1occc1C=NOCC1CC1 841640085 582489135 /nfs/dbraw/zinc/48/91/35/582489135.db2.gz HDYHUGOWRLGSAR-UHFFFAOYSA-N 0 0 179.219 2.349 10 30 AEEERN Cc1ccc(CS)cc1[N+](=O)[O-] 147885705 582489287 /nfs/dbraw/zinc/48/92/87/582489287.db2.gz WCPDIQPTXOQKKM-UHFFFAOYSA-N 0 0 183.232 2.333 10 30 AEEERN C=CCON=C1CCC[C@@H]2C[C@H]12 841640459 582489807 /nfs/dbraw/zinc/48/98/07/582489807.db2.gz GIWVWUDWMDZWBX-BDAKNGLRSA-N 0 0 165.236 2.365 10 30 AEEERN N#CC1(C(=O)OCCC2CC2)CCC1 744288154 582489872 /nfs/dbraw/zinc/48/98/72/582489872.db2.gz CRYUMKKWJSYBLL-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C=C(C)CCOC(=O)c1cc(C)no1 744304010 582489919 /nfs/dbraw/zinc/48/99/19/582489919.db2.gz KFMPNZHLYOOBGX-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN C=C(C)CCOC(=O)C1(C#N)CCC1 744304760 582490038 /nfs/dbraw/zinc/49/00/38/582490038.db2.gz CAXORZIBOCJCTN-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C=CC[C@@H](CC)NC(=O)[C@H]1C[C@@H]1C 393274636 582491559 /nfs/dbraw/zinc/49/15/59/582491559.db2.gz KQTCNFXZWODSRF-AEJSXWLSSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCCCNC(=O)C1=CCC1 393713042 582493273 /nfs/dbraw/zinc/49/32/73/582493273.db2.gz BJIPPGYIMSSADM-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN C=C(C)CNC(=O)C[C@H]1C=CCC1 393710350 582493920 /nfs/dbraw/zinc/49/39/20/582493920.db2.gz ICSVWWWDEOBWQL-JTQLQIEISA-N 0 0 179.263 2.035 10 30 AEEERN CC(=NOCC1CC1)[C@H]1CC1(F)F 841641672 582493927 /nfs/dbraw/zinc/49/39/27/582493927.db2.gz ZFZCCBJMUNQRHK-MRVPVSSYSA-N 0 0 189.205 2.444 10 30 AEEERN CC(=NOCC1CC1)[C@@H]1CC1(F)F 841641675 582493945 /nfs/dbraw/zinc/49/39/45/582493945.db2.gz ZFZCCBJMUNQRHK-QMMMGPOBSA-N 0 0 189.205 2.444 10 30 AEEERN C=CCCCNC(=O)CC1(C)CC1 393711959 582493953 /nfs/dbraw/zinc/49/39/53/582493953.db2.gz QRSYKOUKLQXDLO-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=C[C@@H](C)Nc1cccc([C@@H](C)O)n1 892891568 582496909 /nfs/dbraw/zinc/49/69/09/582496909.db2.gz IWYZAJMCKUGEAC-RKDXNWHRSA-N 0 0 192.262 2.121 10 30 AEEERN C=COCCOC(=O)CC(C)(C)C=C 892909381 582497120 /nfs/dbraw/zinc/49/71/20/582497120.db2.gz CGFQGHROBLAZSR-UHFFFAOYSA-N 0 0 198.262 2.292 10 30 AEEERN C=C[C@H](C)Nc1cccc([C@@H](C)O)n1 892891565 582497158 /nfs/dbraw/zinc/49/71/58/582497158.db2.gz IWYZAJMCKUGEAC-DTWKUNHWSA-N 0 0 192.262 2.121 10 30 AEEERN C=C[C@H](C)Nc1cccc([C@H](C)O)n1 892891567 582497315 /nfs/dbraw/zinc/49/73/15/582497315.db2.gz IWYZAJMCKUGEAC-IUCAKERBSA-N 0 0 192.262 2.121 10 30 AEEERN C=C[C@@H](C)Nc1cccc([C@H](C)O)n1 892891563 582497352 /nfs/dbraw/zinc/49/73/52/582497352.db2.gz IWYZAJMCKUGEAC-BDAKNGLRSA-N 0 0 192.262 2.121 10 30 AEEERN C=CC(C)(C)NC(=O)NCCC1CC1 893293744 582501958 /nfs/dbraw/zinc/50/19/58/582501958.db2.gz DMWBEPOITNPHRU-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(CC)COC(=O)/C=C\OCC 840589129 582501969 /nfs/dbraw/zinc/50/19/69/582501969.db2.gz ZXUJAVBTTRJVGY-SREVYHEPSA-N 0 0 184.235 2.046 10 30 AEEERN C=CCON=C1CC(CF)(CF)C1 853355194 582498652 /nfs/dbraw/zinc/49/86/52/582498652.db2.gz JUUQKHVSVIWDJS-UHFFFAOYSA-N 0 0 189.205 2.264 10 30 AEEERN CC[C@@H]1CC(=NOC2CCC2)CO1 853349038 582498857 /nfs/dbraw/zinc/49/88/57/582498857.db2.gz RAVCPWTWSQUINW-SECBINFHSA-N 0 0 183.251 2.110 10 30 AEEERN CC[C@H]1CC(=NOC2CCC2)CO1 853349039 582498872 /nfs/dbraw/zinc/49/88/72/582498872.db2.gz RAVCPWTWSQUINW-VIFPVBQESA-N 0 0 183.251 2.110 10 30 AEEERN CC(C)(F)CNc1ccc(C#N)cn1 601205956 582499147 /nfs/dbraw/zinc/49/91/47/582499147.db2.gz KRAMHAPGYTZOPR-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)=NOCC1CCC1 853439297 582499335 /nfs/dbraw/zinc/49/93/35/582499335.db2.gz DFMSBPBCFZRXMB-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN CCOC1CC(CON=CC2CC2)C1 853735930 582500101 /nfs/dbraw/zinc/50/01/01/582500101.db2.gz FPRHQQFKTOTBTR-UHFFFAOYSA-N 0 0 197.278 2.214 10 30 AEEERN C=C(Cl)CON=CC1CC1 853735968 582500301 /nfs/dbraw/zinc/50/03/01/582500301.db2.gz GSWQJWWDAZITOE-UHFFFAOYSA-N 0 0 159.616 2.151 10 30 AEEERN COC(C)(C)CCON=CC1CC1 853734670 582500331 /nfs/dbraw/zinc/50/03/31/582500331.db2.gz HDERIVBSWOHZEK-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN C#C[C@@H]1CCCC[C@H]1OC(=O)CCF 893231062 582500413 /nfs/dbraw/zinc/50/04/13/582500413.db2.gz SGANOWHUZMCTRK-NXEZZACHSA-N 0 0 198.237 2.081 10 30 AEEERN C#C[C@H]1CCCC[C@H]1OC(=O)CCF 893231074 582500506 /nfs/dbraw/zinc/50/05/06/582500506.db2.gz SGANOWHUZMCTRK-VHSXEESVSA-N 0 0 198.237 2.081 10 30 AEEERN C=CCCCNC(=O)NC(C)(C)CC 395972909 582500638 /nfs/dbraw/zinc/50/06/38/582500638.db2.gz AHIDEHPXIMOPPX-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C#C[C@H]1CCCC[C@@H]1OC(=O)CCF 893231072 582500647 /nfs/dbraw/zinc/50/06/47/582500647.db2.gz SGANOWHUZMCTRK-UWVGGRQHSA-N 0 0 198.237 2.081 10 30 AEEERN C#C[C@@H]1CCCC[C@@H]1OC(=O)CCF 893231075 582500662 /nfs/dbraw/zinc/50/06/62/582500662.db2.gz SGANOWHUZMCTRK-ZJUUUORDSA-N 0 0 198.237 2.081 10 30 AEEERN CC(C)=CCOC(=O)C1(C#N)CCC1 775277785 582501329 /nfs/dbraw/zinc/50/13/29/582501329.db2.gz ACUDBEMGFXQKSD-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C=C(CC)COC(=O)/C=C/OCC 840589131 582502145 /nfs/dbraw/zinc/50/21/45/582502145.db2.gz ZXUJAVBTTRJVGY-VOTSOKGWSA-N 0 0 184.235 2.046 10 30 AEEERN CCC#CCOC(=O)C[C@H](C)CC 893839895 582508215 /nfs/dbraw/zinc/50/82/15/582508215.db2.gz CMKKVHUCBJYFCS-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN C=CC1(OC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1 893358813 582503918 /nfs/dbraw/zinc/50/39/18/582503918.db2.gz JHAMVWICXNFXCD-MYJAWHEDSA-N 0 0 192.258 2.294 10 30 AEEERN C=CC1(OC(=O)CCC(F)F)CC1 893364459 582504153 /nfs/dbraw/zinc/50/41/53/582504153.db2.gz UPVKKCIXOSYGAW-UHFFFAOYSA-N 0 0 190.189 2.294 10 30 AEEERN C#CCN(CC)Cc1cc(C)co1 893975842 582508714 /nfs/dbraw/zinc/50/87/14/582508714.db2.gz ICLRZQCBSJLRPK-UHFFFAOYSA-N 0 0 177.247 2.043 10 30 AEEERN C=CC1(OC(=O)CCSC)CC1 893364671 582504569 /nfs/dbraw/zinc/50/45/69/582504569.db2.gz BFXMVQKXKDXPCR-UHFFFAOYSA-N 0 0 186.276 2.001 10 30 AEEERN CC[C@@H](CC#N)NCC(F)(F)CC 602839225 582506304 /nfs/dbraw/zinc/50/63/04/582506304.db2.gz CCWUGIVGHAQKER-QMMMGPOBSA-N 0 0 190.237 2.314 10 30 AEEERN CC[C@H](CC#N)NCC(F)(F)CC 602839224 582506402 /nfs/dbraw/zinc/50/64/02/582506402.db2.gz CCWUGIVGHAQKER-MRVPVSSYSA-N 0 0 190.237 2.314 10 30 AEEERN C=CCN(CCC#N)c1nccs1 893946746 582508723 /nfs/dbraw/zinc/50/87/23/582508723.db2.gz DSUDFOKCCWGQJF-UHFFFAOYSA-N 0 0 193.275 2.049 10 30 AEEERN C=C1CC(C)(C(=O)NOCC(C)C)C1 866896894 582507513 /nfs/dbraw/zinc/50/75/13/582507513.db2.gz KFFLUKILIBSKTB-UHFFFAOYSA-N 0 0 197.278 2.047 10 30 AEEERN C[C@@H]1CCC[C@@]2(C1)OC=CC2=O 675078500 582507737 /nfs/dbraw/zinc/50/77/37/582507737.db2.gz HCWRFGCORXWMBN-SCZZXKLOSA-N 0 0 166.220 2.048 10 30 AEEERN CCC#CCOC(=O)C(C)(C)C1CC1 893840013 582508224 /nfs/dbraw/zinc/50/82/24/582508224.db2.gz GQKSWKJORHVIAJ-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C/C=C(/CC)C(=O)OCC#CCC 893840346 582508307 /nfs/dbraw/zinc/50/83/07/582508307.db2.gz ABARBSMWJRFUSI-YHYXMXQVSA-N 0 0 180.247 2.299 10 30 AEEERN CCC#CCOC(=O)C1(C)CCC1 893838766 582508319 /nfs/dbraw/zinc/50/83/19/582508319.db2.gz FVXKPWHCBJRMGK-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN CCC#CCOC(=O)[C@H](C)C(C)C 893838754 582508350 /nfs/dbraw/zinc/50/83/50/582508350.db2.gz FPROWXBNJOJFNM-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN CCC#CCOC(=O)C1CC(C)(C)C1 893839913 582508386 /nfs/dbraw/zinc/50/83/86/582508386.db2.gz CYTYEBRIQFENSJ-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CCC#CCOC(=O)[C@@H](C)C(C)C 893838753 582508406 /nfs/dbraw/zinc/50/84/06/582508406.db2.gz FPROWXBNJOJFNM-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN CCC#CCOC(=O)C[C@@H](C)CC 893839894 582508412 /nfs/dbraw/zinc/50/84/12/582508412.db2.gz CMKKVHUCBJYFCS-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN C=CCCCC(=O)OCC#CCC 893838799 582508427 /nfs/dbraw/zinc/50/84/27/582508427.db2.gz HAXPRLLPRSGKEU-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN CCC#CCOC(=O)C1=CCCC1 893838931 582508435 /nfs/dbraw/zinc/50/84/35/582508435.db2.gz HYSFPPAWVZDDPY-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN C/C=C(\CC)C(=O)OCC#CCC 893840345 582508447 /nfs/dbraw/zinc/50/84/47/582508447.db2.gz ABARBSMWJRFUSI-BJMVGYQFSA-N 0 0 180.247 2.299 10 30 AEEERN Cc1coc(CN(C)C[C@H](C)C#N)c1 893995171 582508650 /nfs/dbraw/zinc/50/86/50/582508650.db2.gz OIYMDRDIXVBJEL-SNVBAGLBSA-N 0 0 192.262 2.180 10 30 AEEERN Cc1coc(CN(C)[C@H](C)CC#N)c1 894002848 582508667 /nfs/dbraw/zinc/50/86/67/582508667.db2.gz WYOBBUFNJWFPQA-SNVBAGLBSA-N 0 0 192.262 2.322 10 30 AEEERN C=C1CCN(Cc2ocnc2C)CC1 894005515 582508897 /nfs/dbraw/zinc/50/88/97/582508897.db2.gz IFJQKTAQBBJLDD-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN Cc1coc(CN(C)[C@@H](C)CC#N)c1 894002846 582508912 /nfs/dbraw/zinc/50/89/12/582508912.db2.gz WYOBBUFNJWFPQA-JTQLQIEISA-N 0 0 192.262 2.322 10 30 AEEERN C=CCCCC(=O)N[C@@H](C)C(F)F 894041685 582508974 /nfs/dbraw/zinc/50/89/74/582508974.db2.gz HLMLYRUZRSHARP-ZETCQYMHSA-N 0 0 191.221 2.113 10 30 AEEERN Cc1coc(CN(C)C[C@@H](C)C#N)c1 893995170 582508998 /nfs/dbraw/zinc/50/89/98/582508998.db2.gz OIYMDRDIXVBJEL-JTQLQIEISA-N 0 0 192.262 2.180 10 30 AEEERN C=CCCCC(=O)N[C@H](C)C(F)F 894041555 582509426 /nfs/dbraw/zinc/50/94/26/582509426.db2.gz HLMLYRUZRSHARP-SSDOTTSWSA-N 0 0 191.221 2.113 10 30 AEEERN C=CCCC[NH2+]Cc1ccc(OC)o1 894122107 582510285 /nfs/dbraw/zinc/51/02/85/582510285.db2.gz ZQUDGAQJEXSQNI-UHFFFAOYSA-N 0 0 195.262 2.344 10 30 AEEERN CCC/C(C)=C\C(=O)N[C@H](C#N)CC 726533095 582510812 /nfs/dbraw/zinc/51/08/12/582510812.db2.gz HJIHMEUGSONBNJ-RNKPRXRFSA-N 0 0 194.278 2.151 10 30 AEEERN C=CCOC(=O)c1cccc(F)c1F 726676916 582511037 /nfs/dbraw/zinc/51/10/37/582511037.db2.gz DLEBGKUCLKBYSX-UHFFFAOYSA-N 0 0 198.168 2.308 10 30 AEEERN C=CCCC(=O)O[C@H]1CCCCC1=O 726651513 582511107 /nfs/dbraw/zinc/51/11/07/582511107.db2.gz FKLHRYFNRKKPLB-JTQLQIEISA-N 0 0 196.246 2.008 10 30 AEEERN CCC/C(C)=C\C(=O)N[C@@H](C#N)CC 726533101 582511180 /nfs/dbraw/zinc/51/11/80/582511180.db2.gz HJIHMEUGSONBNJ-UJICNMFASA-N 0 0 194.278 2.151 10 30 AEEERN CCC/C(C)=C/C(=O)N[C@H](C#N)CC 726533092 582511287 /nfs/dbraw/zinc/51/12/87/582511287.db2.gz HJIHMEUGSONBNJ-PCYYEKQGSA-N 0 0 194.278 2.151 10 30 AEEERN CCC/C(C)=C/C(=O)N[C@@H](C#N)CC 726533098 582511306 /nfs/dbraw/zinc/51/13/06/582511306.db2.gz HJIHMEUGSONBNJ-TTZKWOQHSA-N 0 0 194.278 2.151 10 30 AEEERN C=CCCC(=O)O[C@@H]1CCCCC1=O 726651517 582511377 /nfs/dbraw/zinc/51/13/77/582511377.db2.gz FKLHRYFNRKKPLB-SNVBAGLBSA-N 0 0 196.246 2.008 10 30 AEEERN C=CCOC(=O)Cc1cccc(C)c1 726827048 582511938 /nfs/dbraw/zinc/51/19/38/582511938.db2.gz AOAQOXWKQKXVSP-UHFFFAOYSA-N 0 0 190.242 2.267 10 30 AEEERN CCON=C1COc2c(C)cccc21 814788854 582512065 /nfs/dbraw/zinc/51/20/65/582512065.db2.gz NGTKVZHYEGVSEK-UHFFFAOYSA-N 0 0 191.230 2.128 10 30 AEEERN C=C(Cl)CN(C)[C@H]1CCC[C@H]1C#N 879307635 582513996 /nfs/dbraw/zinc/51/39/96/582513996.db2.gz ACOIGDOYZZGPBV-UWVGGRQHSA-N 0 0 198.697 2.363 10 30 AEEERN C=C(Cl)CN(C)[C@@H]1CCC[C@H]1C#N 879307636 582513999 /nfs/dbraw/zinc/51/39/99/582513999.db2.gz ACOIGDOYZZGPBV-VHSXEESVSA-N 0 0 198.697 2.363 10 30 AEEERN C=C(Cl)CN(C)[C@@H]1CCC[C@@H]1C#N 879307634 582514016 /nfs/dbraw/zinc/51/40/16/582514016.db2.gz ACOIGDOYZZGPBV-NXEZZACHSA-N 0 0 198.697 2.363 10 30 AEEERN C=C(Cl)CN(C)[C@H]1CCC[C@@H]1C#N 879307637 582514020 /nfs/dbraw/zinc/51/40/20/582514020.db2.gz ACOIGDOYZZGPBV-ZJUUUORDSA-N 0 0 198.697 2.363 10 30 AEEERN C=C(C)CCN(C)OCC(F)(F)F 879516862 582514370 /nfs/dbraw/zinc/51/43/70/582514370.db2.gz AXBPVUDAPOUHGM-UHFFFAOYSA-N 0 0 197.200 2.378 10 30 AEEERN C=CCC(C)(C)COC(C)=O 17455828 582514551 /nfs/dbraw/zinc/51/45/51/582514551.db2.gz DWVMHZCBODIEOP-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN C=CC(C)(C)NC(=O)NCC=C(C)C 894395075 582515098 /nfs/dbraw/zinc/51/50/98/582515098.db2.gz WCGDXUQRQKAOBB-UHFFFAOYSA-N 0 0 196.294 2.216 10 30 AEEERN C=CCCCC(=O)OCc1ccno1 748233573 582515324 /nfs/dbraw/zinc/51/53/24/582515324.db2.gz FHSNLPWUESWMSU-UHFFFAOYSA-N 0 0 195.218 2.074 10 30 AEEERN C=CCCNc1cccc([C@H](C)O)n1 894518984 582516040 /nfs/dbraw/zinc/51/60/40/582516040.db2.gz WHCSEPMHEMUWOA-VIFPVBQESA-N 0 0 192.262 2.123 10 30 AEEERN C=CCN(C)Cc1nc(C(C)C)c[nH]1 894495281 582515964 /nfs/dbraw/zinc/51/59/64/582515964.db2.gz NLDMYRYSQZFVTB-UHFFFAOYSA-N 0 0 193.294 2.151 10 30 AEEERN C=CCCNc1cccc([C@@H](C)O)n1 894518983 582516193 /nfs/dbraw/zinc/51/61/93/582516193.db2.gz WHCSEPMHEMUWOA-SECBINFHSA-N 0 0 192.262 2.123 10 30 AEEERN C#CCN(Cc1cc(C)co1)C1CC1 894470319 582516283 /nfs/dbraw/zinc/51/62/83/582516283.db2.gz MAKPFMSKPKGCLK-UHFFFAOYSA-N 0 0 189.258 2.186 10 30 AEEERN C=CCCCNC(=O)NC(C)(C)C=C 894511689 582516340 /nfs/dbraw/zinc/51/63/40/582516340.db2.gz PPSBWNZHQXYLDE-UHFFFAOYSA-N 0 0 196.294 2.216 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@@H]1C[C@H]1CC 894588058 582516659 /nfs/dbraw/zinc/51/66/59/582516659.db2.gz KSGIMKHRGLJUIR-RKDXNWHRSA-N 0 0 196.294 2.049 10 30 AEEERN C#C[C@@H](C)N(C)Cc1cc(C)co1 894574646 582516779 /nfs/dbraw/zinc/51/67/79/582516779.db2.gz WUKFWBIAWAGHDE-SNVBAGLBSA-N 0 0 177.247 2.042 10 30 AEEERN C(#Cc1ccccc1)CN1CC2(CC2)C1 894664702 582517200 /nfs/dbraw/zinc/51/72/00/582517200.db2.gz YLHJPBZHZJFNBU-UHFFFAOYSA-N 0 0 197.281 2.134 10 30 AEEERN C#C[C@H](C)N(C)Cc1cc(C)co1 894574639 582517352 /nfs/dbraw/zinc/51/73/52/582517352.db2.gz WUKFWBIAWAGHDE-JTQLQIEISA-N 0 0 177.247 2.042 10 30 AEEERN C=C(C)CC[NH2+]Cc1ccc(OC)o1 894712135 582517764 /nfs/dbraw/zinc/51/77/64/582517764.db2.gz PKOJDYOXYUZGQI-UHFFFAOYSA-N 0 0 195.262 2.344 10 30 AEEERN C/C=C\CNc1cc(C)cc(C#N)n1 894773963 582517920 /nfs/dbraw/zinc/51/79/20/582517920.db2.gz LXYRJSJYVUNIBY-ARJAWSKDSA-N 0 0 187.246 2.250 10 30 AEEERN C/C=C/CNc1cc(C)cc(C#N)n1 894773964 582517926 /nfs/dbraw/zinc/51/79/26/582517926.db2.gz LXYRJSJYVUNIBY-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C#C[C@H](CC)OC(=O)CCCC 215470168 582521927 /nfs/dbraw/zinc/52/19/27/582521927.db2.gz KNEJQROUNKBSKX-SECBINFHSA-N 0 0 168.236 2.132 10 30 AEEERN C#C[C@@H](CC)OC(=O)CCCC 215470220 582522550 /nfs/dbraw/zinc/52/25/50/582522550.db2.gz KNEJQROUNKBSKX-VIFPVBQESA-N 0 0 168.236 2.132 10 30 AEEERN C=CC(C)(C)NC(=O)NCCC(=C)C 895148051 582523914 /nfs/dbraw/zinc/52/39/14/582523914.db2.gz YRTNDCPFWWIGMI-UHFFFAOYSA-N 0 0 196.294 2.216 10 30 AEEERN COCCCNN=C1CCC[C@H](C)C1 794544516 582524126 /nfs/dbraw/zinc/52/41/26/582524126.db2.gz XHLVDEIOESYFOF-JTQLQIEISA-N 0 0 198.310 2.179 10 30 AEEERN CC[C@H]1CCCC1=NNCCCOC 794539675 582524337 /nfs/dbraw/zinc/52/43/37/582524337.db2.gz KSJYXKZGCZVPCX-JTQLQIEISA-N 0 0 198.310 2.179 10 30 AEEERN CC[C@@H]1CCCC1=NNCCCOC 794539676 582524405 /nfs/dbraw/zinc/52/44/05/582524405.db2.gz KSJYXKZGCZVPCX-SNVBAGLBSA-N 0 0 198.310 2.179 10 30 AEEERN C=CCCC(CC)=NNCCCOC 794542677 582524438 /nfs/dbraw/zinc/52/44/38/582524438.db2.gz UOVKJVBGPORXHG-UHFFFAOYSA-N 0 0 198.310 2.345 10 30 AEEERN COCCCNN=C1CCC[C@@H](C)C1 794544517 582524442 /nfs/dbraw/zinc/52/44/42/582524442.db2.gz XHLVDEIOESYFOF-SNVBAGLBSA-N 0 0 198.310 2.179 10 30 AEEERN C=C(C)CCOC(=O)C(C)C 142498254 582524482 /nfs/dbraw/zinc/52/44/82/582524482.db2.gz ULUPZPVZZKICMD-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN C=CCOC(=O)c1cc(C)ccc1F 727214170 582525394 /nfs/dbraw/zinc/52/53/94/582525394.db2.gz HAWYMNSWPHFILW-UHFFFAOYSA-N 0 0 194.205 2.477 10 30 AEEERN C=CC(C)(C)NC(=O)NCC(=C)CC 895255357 582526172 /nfs/dbraw/zinc/52/61/72/582526172.db2.gz UERMYTDAICJHPG-UHFFFAOYSA-N 0 0 196.294 2.216 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@H]1CC1(C)C 895346907 582528109 /nfs/dbraw/zinc/52/81/09/582528109.db2.gz NMGNETWRBZQHOK-QMMMGPOBSA-N 0 0 196.294 2.049 10 30 AEEERN CC[C@](C#N)(NC)c1ccccc1 20378118 582527711 /nfs/dbraw/zinc/52/77/11/582527711.db2.gz SZYOAGRFBRJDFO-LLVKDONJSA-N 0 0 174.247 2.035 10 30 AEEERN C=CCCC(=O)NC1(C2CC2)CCC1 895360406 582528021 /nfs/dbraw/zinc/52/80/21/582528021.db2.gz RFSUKKKRBUAZLB-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN C=C1CCC(C(=O)N2CCCC2)CC1 895439570 582528622 /nfs/dbraw/zinc/52/86/22/582528622.db2.gz HKJOORGUJHSIMC-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=CC[C@@H](C)NC(=O)C1(C2CC2)CC1 896414012 582533140 /nfs/dbraw/zinc/53/31/40/582533140.db2.gz IRUMRQKANZZEDF-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC[C@H](C)NC(=O)C1(C2CC2)CC1 896414013 582533375 /nfs/dbraw/zinc/53/33/75/582533375.db2.gz IRUMRQKANZZEDF-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN C=C(Cl)CNC(=O)C1(C2CC2)CC1 896452429 582533438 /nfs/dbraw/zinc/53/34/38/582533438.db2.gz NGIHNBXWMBCOLA-UHFFFAOYSA-N 0 0 199.681 2.045 10 30 AEEERN C=CCCc1nc(C2CSC2)no1 896717302 582534396 /nfs/dbraw/zinc/53/43/96/582534396.db2.gz WIGJNQRZSHKFDT-UHFFFAOYSA-N 0 0 196.275 2.019 10 30 AEEERN C=C1CC(c2noc(C3(F)CC3)n2)C1 896873986 582535666 /nfs/dbraw/zinc/53/56/66/582535666.db2.gz IHMRYEHEKFHYPF-UHFFFAOYSA-N 0 0 194.209 2.462 10 30 AEEERN C=C1CC(c2noc(CC)n2)C1 896881291 582535757 /nfs/dbraw/zinc/53/57/57/582535757.db2.gz HQTGTTFRPLYEJD-UHFFFAOYSA-N 0 0 164.208 2.066 10 30 AEEERN CCON=Cc1cc(C)n(CC)c1C 728226094 582536495 /nfs/dbraw/zinc/53/64/95/582536495.db2.gz HRTRNYFHNHFKIF-UHFFFAOYSA-N 0 0 194.278 2.495 10 30 AEEERN C=C1CC(C)(c2noc(CC)n2)C1 896913155 582537070 /nfs/dbraw/zinc/53/70/70/582537070.db2.gz OFUFZDKQKQUNLF-UHFFFAOYSA-N 0 0 178.235 2.240 10 30 AEEERN C#CCOC(=O)C[C@H]1CCC[C@H](C)C1 728340019 582537844 /nfs/dbraw/zinc/53/78/44/582537844.db2.gz FFVRPUVUACQGJR-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)C[C@@H]1CCC[C@@H](C)C1 728340014 582537539 /nfs/dbraw/zinc/53/75/39/582537539.db2.gz FFVRPUVUACQGJR-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)C[C@@H]1CCC[C@H](C)C1 728340021 582537767 /nfs/dbraw/zinc/53/77/67/582537767.db2.gz FFVRPUVUACQGJR-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)C[C@H]1CCC[C@@H](C)C1 728340018 582537960 /nfs/dbraw/zinc/53/79/60/582537960.db2.gz FFVRPUVUACQGJR-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN N#C[C@@H](OC(=O)CC1CCC1)C1CC1 751175613 582538188 /nfs/dbraw/zinc/53/81/88/582538188.db2.gz CRYVQWXWAYECDB-SNVBAGLBSA-N 0 0 193.246 2.022 10 30 AEEERN C=CCCCC(=O)O[C@H](C#N)C(C)C 751160883 582538309 /nfs/dbraw/zinc/53/83/09/582538309.db2.gz JRIVXZNDLSCROL-SNVBAGLBSA-N 0 0 195.262 2.434 10 30 AEEERN N#C[C@H](OC(=O)CC1CCC1)C1CC1 751175612 582538364 /nfs/dbraw/zinc/53/83/64/582538364.db2.gz CRYVQWXWAYECDB-JTQLQIEISA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)CC1CCC1 751160890 582538451 /nfs/dbraw/zinc/53/84/51/582538451.db2.gz JTSAQUQRZFEILH-SNVBAGLBSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)CC1CCC1 751160888 582538495 /nfs/dbraw/zinc/53/84/95/582538495.db2.gz JTSAQUQRZFEILH-JTQLQIEISA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCCC(=O)O[C@@H](C#N)C(C)C 751160882 582538508 /nfs/dbraw/zinc/53/85/08/582538508.db2.gz JRIVXZNDLSCROL-JTQLQIEISA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)COc1cccc(C)n1 306183720 582540228 /nfs/dbraw/zinc/54/02/28/582540228.db2.gz BSMLCZUKAJNNLE-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN C=CCCC[C@@H](C)OC(C)=O 144123345 582540505 /nfs/dbraw/zinc/54/05/05/582540505.db2.gz YSVUPNHQXJSBTC-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN C#C[C@@H]1CCCCN1c1nccs1 897360809 582542749 /nfs/dbraw/zinc/54/27/49/582542749.db2.gz QWQGFRUVQOLDJF-SECBINFHSA-N 0 0 192.287 2.135 10 30 AEEERN C#C[C@@H]1CCCCN1c1ccccn1 897360039 582542774 /nfs/dbraw/zinc/54/27/74/582542774.db2.gz UFPHSNSXWNSGLO-LLVKDONJSA-N 0 0 186.258 2.074 10 30 AEEERN C#C[C@H]1CCCCN1c1ccccn1 897360040 582542776 /nfs/dbraw/zinc/54/27/76/582542776.db2.gz UFPHSNSXWNSGLO-NSHDSACASA-N 0 0 186.258 2.074 10 30 AEEERN C#C[C@H]1CCCCN1c1nccs1 897360810 582542787 /nfs/dbraw/zinc/54/27/87/582542787.db2.gz QWQGFRUVQOLDJF-VIFPVBQESA-N 0 0 192.287 2.135 10 30 AEEERN CC1(C)C[C@H]1C(=O)OCCCCC#N 751802180 582542998 /nfs/dbraw/zinc/54/29/98/582542998.db2.gz OJUQOXMATWXRGY-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C=CCOC(=O)c1ccc(F)c(C)c1 728995787 582543315 /nfs/dbraw/zinc/54/33/15/582543315.db2.gz HGPWLJUDPBQYMJ-UHFFFAOYSA-N 0 0 194.205 2.477 10 30 AEEERN C=CCCOC(=O)COC1CCCC1 729072268 582543830 /nfs/dbraw/zinc/54/38/30/582543830.db2.gz CTIHEQAVCFZFKY-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCOC(=O)CCc1ccco1 729072317 582543963 /nfs/dbraw/zinc/54/39/63/582543963.db2.gz FATIAASDONHAQU-UHFFFAOYSA-N 0 0 194.230 2.332 10 30 AEEERN C=CCCOC(=O)c1ccc(C)n1C 729072331 582544195 /nfs/dbraw/zinc/54/41/95/582544195.db2.gz FGHPVKWUMPPICZ-UHFFFAOYSA-N 0 0 193.246 2.066 10 30 AEEERN C=CCCC[N@@H+](CC)Cc1cocn1 898245114 582551459 /nfs/dbraw/zinc/55/14/59/582551459.db2.gz WOODTABQCNUBPC-UHFFFAOYSA-N 0 0 194.278 2.463 10 30 AEEERN CC(=NOC1CCC1)c1ccns1 863115003 582546031 /nfs/dbraw/zinc/54/60/31/582546031.db2.gz XBCHZRRZROIBFQ-UHFFFAOYSA-N 0 0 196.275 2.436 10 30 AEEERN C=C(C)CNN=C(C)[C@H]1CCCCO1 863112564 582546035 /nfs/dbraw/zinc/54/60/35/582546035.db2.gz MDTHTPRYDHVHGB-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN C=CCCCC(=O)NC/C=C/C 863116650 582546047 /nfs/dbraw/zinc/54/60/47/582546047.db2.gz WDRLMRMSJDOWLH-GQCTYLIASA-N 0 0 167.252 2.035 10 30 AEEERN C#CCCCCCC(=O)NC/C=C/C 863115249 582546133 /nfs/dbraw/zinc/54/61/33/582546133.db2.gz IHMYGKLOJDBZPD-GQCTYLIASA-N 0 0 193.290 2.262 10 30 AEEERN C=C(C)CNN=C(C)[C@@H]1CCCCO1 863112571 582546143 /nfs/dbraw/zinc/54/61/43/582546143.db2.gz MDTHTPRYDHVHGB-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=CCCCC(=O)NC/C=C\C 863116651 582546160 /nfs/dbraw/zinc/54/61/60/582546160.db2.gz WDRLMRMSJDOWLH-XQRVVYSFSA-N 0 0 167.252 2.035 10 30 AEEERN C#CCCCCCC(=O)NC/C=C\C 863115250 582546175 /nfs/dbraw/zinc/54/61/75/582546175.db2.gz IHMYGKLOJDBZPD-XQRVVYSFSA-N 0 0 193.290 2.262 10 30 AEEERN C=CC(C)(C)Nc1nc(CC)ns1 897533533 582547850 /nfs/dbraw/zinc/54/78/50/582547850.db2.gz SFVPLGXHABAREJ-UHFFFAOYSA-N 0 0 197.307 2.477 10 30 AEEERN C=CC(C)(C)Nc1cc(C)ncn1 897533173 582547868 /nfs/dbraw/zinc/54/78/68/582547868.db2.gz KFSSEUGZCNOTGC-UHFFFAOYSA-N 0 0 177.251 2.162 10 30 AEEERN C=CC(C)(C)Nc1ncc(C)cn1 897532706 582547883 /nfs/dbraw/zinc/54/78/83/582547883.db2.gz BBRYBHJUFSEHHI-UHFFFAOYSA-N 0 0 177.251 2.162 10 30 AEEERN C=CC(C)(C)Nc1ncccc1C#N 897533722 582547885 /nfs/dbraw/zinc/54/78/85/582547885.db2.gz VMCKOIJUGYNGCQ-UHFFFAOYSA-N 0 0 187.246 2.330 10 30 AEEERN C=CC(C)(C)Nc1ccnc(C)n1 897533678 582547889 /nfs/dbraw/zinc/54/78/89/582547889.db2.gz UQUXUIICJFIBLC-UHFFFAOYSA-N 0 0 177.251 2.162 10 30 AEEERN C=CC(C)(C)Nc1nc(C)cc(C)n1 897533504 582547900 /nfs/dbraw/zinc/54/79/00/582547900.db2.gz QOXRDNPSRUXOOM-UHFFFAOYSA-N 0 0 191.278 2.470 10 30 AEEERN C=CC(C)(C)Nc1cc(C)nc(C)n1 897533178 582547904 /nfs/dbraw/zinc/54/79/04/582547904.db2.gz KRHVPODMTABLMY-UHFFFAOYSA-N 0 0 191.278 2.470 10 30 AEEERN C=CC(C)(C)Nc1ccc(C#N)cn1 897533752 582547924 /nfs/dbraw/zinc/54/79/24/582547924.db2.gz WCINABOVURRUIL-UHFFFAOYSA-N 0 0 187.246 2.330 10 30 AEEERN C=CC(C)(C)Nc1cccc(C#N)n1 897533247 582547994 /nfs/dbraw/zinc/54/79/94/582547994.db2.gz OAGWRFIHKPOSDN-UHFFFAOYSA-N 0 0 187.246 2.330 10 30 AEEERN C=CC(C)(C)Nc1nccc(C)n1 897532722 582548001 /nfs/dbraw/zinc/54/80/01/582548001.db2.gz BUKAQJPQLHTVHT-UHFFFAOYSA-N 0 0 177.251 2.162 10 30 AEEERN C=CC(C)(C)Nc1cc(CC)ncn1 897533749 582548013 /nfs/dbraw/zinc/54/80/13/582548013.db2.gz VYNRMHFALPMMCY-UHFFFAOYSA-N 0 0 191.278 2.416 10 30 AEEERN C=CC(C)(C)Nc1ccnc(CC)n1 897533250 582548073 /nfs/dbraw/zinc/54/80/73/582548073.db2.gz ODMWLSXLSUJOEV-UHFFFAOYSA-N 0 0 191.278 2.416 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1(C)CCC1 787090114 582550932 /nfs/dbraw/zinc/55/09/32/582550932.db2.gz YVZZUKDHRBWFKF-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1(C)CCC1 787090107 582551236 /nfs/dbraw/zinc/55/12/36/582551236.db2.gz YVZZUKDHRBWFKF-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C=C(C)[C@H](CO)Sc1nc(C)co1 379390326 582553434 /nfs/dbraw/zinc/55/34/34/582553434.db2.gz NPLRZITXWAZLLH-QMMMGPOBSA-N 0 0 199.275 2.012 10 30 AEEERN C=C(C)[C@@H](CO)Sc1nc(C)co1 379390325 582553538 /nfs/dbraw/zinc/55/35/38/582553538.db2.gz NPLRZITXWAZLLH-MRVPVSSYSA-N 0 0 199.275 2.012 10 30 AEEERN C=CC(C)(C)NCc1cscn1 898458024 582554426 /nfs/dbraw/zinc/55/44/26/582554426.db2.gz VHTIAMNOVUOPOU-UHFFFAOYSA-N 0 0 182.292 2.197 10 30 AEEERN C=CC(C)(C)NCc1ncc(C)o1 898460560 582554634 /nfs/dbraw/zinc/55/46/34/582554634.db2.gz OKDQVDJGJJGEJM-UHFFFAOYSA-N 0 0 180.251 2.037 10 30 AEEERN C=CC(C)(C)NCc1cc(C)on1 898460363 582554917 /nfs/dbraw/zinc/55/49/17/582554917.db2.gz KNMVLFFCISVWIA-UHFFFAOYSA-N 0 0 180.251 2.037 10 30 AEEERN C=C1CN(C(=O)CCC2CCCC2)C1 898690863 582555494 /nfs/dbraw/zinc/55/54/94/582555494.db2.gz BQSPESWTFOUUPU-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=CC(C)(C)[NH2+]Cc1[nH]nc(C)c1C 898461016 582555531 /nfs/dbraw/zinc/55/55/31/582555531.db2.gz YHASODIFMBLJRB-UHFFFAOYSA-N 0 0 193.294 2.081 10 30 AEEERN C=C1CN(C(=O)c2sccc2C)C1 898688994 582555705 /nfs/dbraw/zinc/55/57/05/582555705.db2.gz DOILVIFQMOQMHQ-UHFFFAOYSA-N 0 0 193.271 2.069 10 30 AEEERN C#Cc1ccc(NCC2CC2)cc1 898504334 582555715 /nfs/dbraw/zinc/55/57/15/582555715.db2.gz DLTUUAVUDOFHSW-UHFFFAOYSA-N 0 0 171.243 2.490 10 30 AEEERN C=C1CN(C(=O)c2ccc(C)cc2)C1 898689085 582555829 /nfs/dbraw/zinc/55/58/29/582555829.db2.gz FXDMKOZXTRQTMV-UHFFFAOYSA-N 0 0 187.242 2.007 10 30 AEEERN C#Cc1ccc(NC2CSC2)cc1 898505326 582555900 /nfs/dbraw/zinc/55/59/00/582555900.db2.gz MAXVMWJQHPYVRO-UHFFFAOYSA-N 0 0 189.283 2.195 10 30 AEEERN C=C1CN(C(=O)CC(C)=C(C)C)C1 898703546 582556129 /nfs/dbraw/zinc/55/61/29/582556129.db2.gz RYOALLQHYPCTAR-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=C1CN(C(=O)[C@H]2CCC[C@H]2CC)C1 898702892 582556157 /nfs/dbraw/zinc/55/61/57/582556157.db2.gz DRNAFEDRKFQNAX-MNOVXSKESA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)[C@H]2CCC[C@@H]2CC)C1 898702893 582556167 /nfs/dbraw/zinc/55/61/67/582556167.db2.gz DRNAFEDRKFQNAX-QWRGUYRKSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)CC2(C)CCCC2)C1 898703132 582556189 /nfs/dbraw/zinc/55/61/89/582556189.db2.gz BYZJEQQSAZBTDZ-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C1CN(C(=O)[C@](C)(F)CCCC)C1 898705246 582556197 /nfs/dbraw/zinc/55/61/97/582556197.db2.gz BHSQXUUREGRBIA-LLVKDONJSA-N 0 0 199.269 2.303 10 30 AEEERN C=C1CN(C(=O)C2(F)CCCCC2)C1 898703134 582556214 /nfs/dbraw/zinc/55/62/14/582556214.db2.gz BZIRXZXSSKHSJJ-UHFFFAOYSA-N 0 0 197.253 2.057 10 30 AEEERN C=C1CN(C(=O)[C@@H]2CCC[C@@H]2CC)C1 898702894 582556312 /nfs/dbraw/zinc/55/63/12/582556312.db2.gz DRNAFEDRKFQNAX-WDEREUQCSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)C(C)(C)C2CCC2)C1 898702884 582556401 /nfs/dbraw/zinc/55/64/01/582556401.db2.gz DPWGADCNHUGSNY-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)[C@@H]2CCC[C@H]2CC)C1 898702891 582556416 /nfs/dbraw/zinc/55/64/16/582556416.db2.gz DRNAFEDRKFQNAX-GHMZBOCLSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 898704973 582556449 /nfs/dbraw/zinc/55/64/49/582556449.db2.gz BIDJVPVVBKPELG-NXEZZACHSA-N 0 0 193.290 2.067 10 30 AEEERN C=C1CN(C(=O)[C@@](C)(F)CCCC)C1 898705247 582556528 /nfs/dbraw/zinc/55/65/28/582556528.db2.gz BHSQXUUREGRBIA-NSHDSACASA-N 0 0 199.269 2.303 10 30 AEEERN C=C1CN(C(=O)CCCC(C)C)C1 898704560 582556530 /nfs/dbraw/zinc/55/65/30/582556530.db2.gz WCPSYZSTPLKOIA-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C1CN(C(=O)CC(C)(C)C2CC2)C1 898703191 582556565 /nfs/dbraw/zinc/55/65/65/582556565.db2.gz CVQFONHGBYUDAR-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)CC2=CCCCC2)C1 898694335 582556634 /nfs/dbraw/zinc/55/66/34/582556634.db2.gz FKYNPEOQIDKKLQ-UHFFFAOYSA-N 0 0 191.274 2.275 10 30 AEEERN C=C1CN(C(=O)[C@@H]2CCC[C@H](C)C2)C1 898696098 582556736 /nfs/dbraw/zinc/55/67/36/582556736.db2.gz BSVPEHXCMFCBFE-GXSJLCMTSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)C[C@@H](C)CCC)C1 898694359 582556752 /nfs/dbraw/zinc/55/67/52/582556752.db2.gz GHVYSJAZYNOGRT-VIFPVBQESA-N 0 0 181.279 2.211 10 30 AEEERN C=C1CN(C(=O)/C=C2\CC[C@H](C)C2)C1 898698017 582556838 /nfs/dbraw/zinc/55/68/38/582556838.db2.gz ABISURJATHONFS-CAXXOGMASA-N 0 0 191.274 2.131 10 30 AEEERN C=C1CN(C(=O)C[C@H](C)CCC)C1 898694358 582556861 /nfs/dbraw/zinc/55/68/61/582556861.db2.gz GHVYSJAZYNOGRT-SECBINFHSA-N 0 0 181.279 2.211 10 30 AEEERN C=C1CN(C(=O)/C=C2/CC[C@@H](C)C2)C1 898698019 582556885 /nfs/dbraw/zinc/55/68/85/582556885.db2.gz ABISURJATHONFS-NJQKBMNKSA-N 0 0 191.274 2.131 10 30 AEEERN C=C1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C1 898696099 582556896 /nfs/dbraw/zinc/55/68/96/582556896.db2.gz BSVPEHXCMFCBFE-KOLCDFICSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)/C=C2/CC[C@H](C)C2)C1 898698018 582556942 /nfs/dbraw/zinc/55/69/42/582556942.db2.gz ABISURJATHONFS-ISAHRAOESA-N 0 0 191.274 2.131 10 30 AEEERN C=C1CN(C(=O)C=C2CCCCC2)C1 898698146 582556948 /nfs/dbraw/zinc/55/69/48/582556948.db2.gz DYTLWXUAIMSPGB-UHFFFAOYSA-N 0 0 191.274 2.275 10 30 AEEERN C=C1CN(C(=O)[C@@H]2CCC[C@@H](C)C2)C1 898696100 582557068 /nfs/dbraw/zinc/55/70/68/582557068.db2.gz BSVPEHXCMFCBFE-MWLCHTKSSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)/C=C2\CC[C@@H](C)C2)C1 898698020 582557169 /nfs/dbraw/zinc/55/71/69/582557169.db2.gz ABISURJATHONFS-VKRGWIQLSA-N 0 0 191.274 2.131 10 30 AEEERN C=C1CN(C(=O)C2C(C)(C)C2(C)C)C1 898698194 582557178 /nfs/dbraw/zinc/55/71/78/582557178.db2.gz GPTMDFSFODITPX-UHFFFAOYSA-N 0 0 193.290 2.067 10 30 AEEERN C=C1CN(C(=O)[C@H]2CCC[C@H](C)C2)C1 898696101 582557210 /nfs/dbraw/zinc/55/72/10/582557210.db2.gz BSVPEHXCMFCBFE-ONGXEEELSA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)CN1N=C(C)[C@@H](C(C)C)C1=O 899350562 582561533 /nfs/dbraw/zinc/56/15/33/582561533.db2.gz IBDJZHTWKRYTFA-SNVBAGLBSA-N 0 0 194.278 2.053 10 30 AEEERN C=C(C)CN1N=C(C)[C@H](C(C)C)C1=O 899350561 582561857 /nfs/dbraw/zinc/56/18/57/582561857.db2.gz IBDJZHTWKRYTFA-JTQLQIEISA-N 0 0 194.278 2.053 10 30 AEEERN C=C1CC(C)(C(=O)N(C)CCCF)C1 899814649 582563525 /nfs/dbraw/zinc/56/35/25/582563525.db2.gz ISSMFOXNPKDGAI-UHFFFAOYSA-N 0 0 199.269 2.161 10 30 AEEERN C=CCCn1cc(C2CCC2)nn1 899711336 582563607 /nfs/dbraw/zinc/56/36/07/582563607.db2.gz GCQHKQUHTAQNRZ-UHFFFAOYSA-N 0 0 177.251 2.122 10 30 AEEERN C=C(C)COC(=O)c1cccc(C)n1 899868869 582564709 /nfs/dbraw/zinc/56/47/09/582564709.db2.gz FKUUVYMFIDKSPD-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN C=C1CN(C[C@@H](O)CCCCCC)C1 899900310 582565174 /nfs/dbraw/zinc/56/51/74/582565174.db2.gz OIOGTKBJVNSZLP-LBPRGKRZSA-N 0 0 197.322 2.190 10 30 AEEERN C=C(C)Cn1cc(C2CCC2)nn1 900503116 582574776 /nfs/dbraw/zinc/57/47/76/582574776.db2.gz RAXKRJKDBPSNLX-UHFFFAOYSA-N 0 0 177.251 2.122 10 30 AEEERN C=C(Cl)Cn1cc(C2CCC2)nn1 900582781 582575054 /nfs/dbraw/zinc/57/50/54/582575054.db2.gz XZSVTRYWCVRSNJ-UHFFFAOYSA-N 0 0 197.669 2.298 10 30 AEEERN CCON=Cc1ccc(OC)cc1C 901162990 582580083 /nfs/dbraw/zinc/58/00/83/582580083.db2.gz FYRZJICEBWJAGG-UHFFFAOYSA-N 0 0 193.246 2.374 10 30 AEEERN CON=Cc1c(C)nn(C(C)C)c1C 901166957 582580425 /nfs/dbraw/zinc/58/04/25/582580425.db2.gz HAMXSIGRQCKZDA-UHFFFAOYSA-N 0 0 195.266 2.061 10 30 AEEERN C#CCON=C1CCC[C@@H](SC)C1 901242651 582580856 /nfs/dbraw/zinc/58/08/56/582580856.db2.gz DDBLVQHXJBMQFA-SNVBAGLBSA-N 0 0 197.303 2.298 10 30 AEEERN CC(N=Nc1ccnn1C)C1CCC1 901220540 582580970 /nfs/dbraw/zinc/58/09/70/582580970.db2.gz QJLGLUITWMYHII-UHFFFAOYSA-N 0 0 192.266 2.008 10 30 AEEERN C=CCON=C1CC2(CO[C@H](C)C2)C1 901248545 582581093 /nfs/dbraw/zinc/58/10/93/582581093.db2.gz AJAPQSAIRCXIDG-BFHBGLAWSA-N 0 0 195.262 2.134 10 30 AEEERN C=CCON=C1CC2(CO[C@@H](C)C2)C1 901248546 582581099 /nfs/dbraw/zinc/58/10/99/582581099.db2.gz AJAPQSAIRCXIDG-FTNKSUMCSA-N 0 0 195.262 2.134 10 30 AEEERN C#CCON=C(C)CSCCC 901243012 582581114 /nfs/dbraw/zinc/58/11/14/582581114.db2.gz HSWPRYRECQPWTH-UHFFFAOYSA-N 0 0 185.292 2.155 10 30 AEEERN C=CCON=C1CCOC12CCCC2 901248853 582581141 /nfs/dbraw/zinc/58/11/41/582581141.db2.gz LLWVVVFPQDSHNZ-UHFFFAOYSA-N 0 0 195.262 2.278 10 30 AEEERN C#CCON=C1CCC[C@H](SC)C1 901242647 582581162 /nfs/dbraw/zinc/58/11/62/582581162.db2.gz DDBLVQHXJBMQFA-JTQLQIEISA-N 0 0 197.303 2.298 10 30 AEEERN C=CCON=Cc1ccc(OCC)o1 901248769 582581262 /nfs/dbraw/zinc/58/12/62/582581262.db2.gz IRPWPNKWRSCAGU-UHFFFAOYSA-N 0 0 195.218 2.215 10 30 AEEERN C#CCCCCCCSCCO 901423923 582585622 /nfs/dbraw/zinc/58/56/22/582585622.db2.gz DOLKLTWVCDWZOU-UHFFFAOYSA-N 0 0 186.320 2.296 10 30 AEEERN C=CCCC(=NNCC)C1CC1 901278848 582581840 /nfs/dbraw/zinc/58/18/40/582581840.db2.gz ITYAJKCHSOFCAM-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCCC(CC)=NNCC 901279546 582582572 /nfs/dbraw/zinc/58/25/72/582582572.db2.gz UBVAMOBVZAUKDE-UHFFFAOYSA-N 0 0 154.257 2.328 10 30 AEEERN C=CC[C@H]1CCC(N=NCC)C1 901282567 582583554 /nfs/dbraw/zinc/58/35/54/582583554.db2.gz LFNHZWSWXWBIRG-VIFPVBQESA-N 0 0 166.268 2.328 10 30 AEEERN C=CC[C@@H]1CCC(N=NCC)C1 901282566 582583760 /nfs/dbraw/zinc/58/37/60/582583760.db2.gz LFNHZWSWXWBIRG-SECBINFHSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCCC[C@@H](C)NC(=O)CCF 901337892 582584196 /nfs/dbraw/zinc/58/41/96/582584196.db2.gz SMLVMWHUEJUBFW-SECBINFHSA-N 0 0 187.258 2.207 10 30 AEEERN C=CCCC[C@H](C)NC(=O)CCF 901337893 582584539 /nfs/dbraw/zinc/58/45/39/582584539.db2.gz SMLVMWHUEJUBFW-VIFPVBQESA-N 0 0 187.258 2.207 10 30 AEEERN CO[C@H](C)Sc1cc(C#N)ccn1 901468364 582586429 /nfs/dbraw/zinc/58/64/29/582586429.db2.gz CCOOSHVDYLFPHR-ZETCQYMHSA-N 0 0 194.259 2.038 10 30 AEEERN CO[C@@H](C)Sc1cc(C#N)ccn1 901468363 582586436 /nfs/dbraw/zinc/58/64/36/582586436.db2.gz CCOOSHVDYLFPHR-SSDOTTSWSA-N 0 0 194.259 2.038 10 30 AEEERN C#CCCNc1nn(C)c2ccccc12 901505615 582586674 /nfs/dbraw/zinc/58/66/74/582586674.db2.gz GTPDMHSAVAVDHQ-UHFFFAOYSA-N 0 0 199.257 2.009 10 30 AEEERN C#CCNc1ccc(C#N)cc1C1CC1 901495050 582586720 /nfs/dbraw/zinc/58/67/20/582586720.db2.gz UZIXNHPWTKUDEQ-UHFFFAOYSA-N 0 0 196.253 2.481 10 30 AEEERN C=C(C)c1cccc(NCCO)c1 901508359 582587596 /nfs/dbraw/zinc/58/75/96/582587596.db2.gz AHDVRRPGDQJSOI-UHFFFAOYSA-N 0 0 177.247 2.124 10 30 AEEERN C=CC[C@H](C)SC1COC1 901633028 582588631 /nfs/dbraw/zinc/58/86/31/582588631.db2.gz VZVYOQACXYHPGS-ZETCQYMHSA-N 0 0 158.266 2.083 10 30 AEEERN C=CC[C@@H](C)SC1COC1 901633027 582588764 /nfs/dbraw/zinc/58/87/64/582588764.db2.gz VZVYOQACXYHPGS-SSDOTTSWSA-N 0 0 158.266 2.083 10 30 AEEERN CC#CCOc1ccc(C=O)c(C)c1 901621474 582588774 /nfs/dbraw/zinc/58/87/74/582588774.db2.gz WPSHXEPUKFMQKB-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN C=C(C)CCSC1COC1 901633039 582588964 /nfs/dbraw/zinc/58/89/64/582588964.db2.gz ATMRAKLFZSOFKQ-UHFFFAOYSA-N 0 0 158.266 2.085 10 30 AEEERN C=CCCCSC1COC1 901641579 582590260 /nfs/dbraw/zinc/59/02/60/582590260.db2.gz GGLTWSAXHULXHY-UHFFFAOYSA-N 0 0 158.266 2.085 10 30 AEEERN C#CCCCCCOc1cncnc1 901704860 582591124 /nfs/dbraw/zinc/59/11/24/582591124.db2.gz XLAIMNQQGPPTRM-UHFFFAOYSA-N 0 0 190.246 2.049 10 30 AEEERN C=CCCSCc1cn(CC)nn1 901765981 582591654 /nfs/dbraw/zinc/59/16/54/582591654.db2.gz KLXRVIVRSYFAMH-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN C=CCSC/C=C(\C)COC 901767055 582591860 /nfs/dbraw/zinc/59/18/60/582591860.db2.gz YHMSVMXOSGKFKP-WEVVVXLNSA-N 0 0 172.293 2.498 10 30 AEEERN C=C(C)CSCc1cn(CC)nn1 901770158 582591863 /nfs/dbraw/zinc/59/18/63/582591863.db2.gz STWPZUZFNWETCJ-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN C=C(C)CSCCc1nnc(C)o1 901768172 582591903 /nfs/dbraw/zinc/59/19/03/582591903.db2.gz BKKJLKDJUDEAMR-UHFFFAOYSA-N 0 0 198.291 2.230 10 30 AEEERN C=CCCSCCc1nnc(C)o1 901766363 582591909 /nfs/dbraw/zinc/59/19/09/582591909.db2.gz NNTUXJLHASENMC-UHFFFAOYSA-N 0 0 198.291 2.230 10 30 AEEERN C=CCSC/C=C(/C)COC 901767053 582591911 /nfs/dbraw/zinc/59/19/11/582591911.db2.gz YHMSVMXOSGKFKP-UITAMQMPSA-N 0 0 172.293 2.498 10 30 AEEERN C=CCSCc1nn(C)cc1C 901767210 582591966 /nfs/dbraw/zinc/59/19/66/582591966.db2.gz ZXOIVDFIYUSASD-UHFFFAOYSA-N 0 0 182.292 2.148 10 30 AEEERN CC#CCSC/C=C(/C)COC 901881817 582592734 /nfs/dbraw/zinc/59/27/34/582592734.db2.gz IJVABQJWDVBRBG-POHAHGRESA-N 0 0 184.304 2.336 10 30 AEEERN CC#CCSC/C=C(\C)COC 901881818 582592878 /nfs/dbraw/zinc/59/28/78/582592878.db2.gz IJVABQJWDVBRBG-UXBLZVDNSA-N 0 0 184.304 2.336 10 30 AEEERN C=CCCNc1cn(C)nc1C1CC1 902211710 582594000 /nfs/dbraw/zinc/59/40/00/582594000.db2.gz SDECEVMZEWQABE-UHFFFAOYSA-N 0 0 191.278 2.286 10 30 AEEERN CNc1ccc(C2CC2)c(C#N)c1 902125108 582594031 /nfs/dbraw/zinc/59/40/31/582594031.db2.gz MDKHAHQPKJSALM-UHFFFAOYSA-N 0 0 172.231 2.477 10 30 AEEERN C#CCNc1ccc(C2CC2)c(C#N)c1 902124625 582594357 /nfs/dbraw/zinc/59/43/57/582594357.db2.gz FBXBBVMEKPYGJU-UHFFFAOYSA-N 0 0 196.253 2.481 10 30 AEEERN C=CCCSCc1cc[nH]n1 902328845 582596676 /nfs/dbraw/zinc/59/66/76/582596676.db2.gz GVOBEXYPQQZHCY-UHFFFAOYSA-N 0 0 168.265 2.219 10 30 AEEERN C=CCSC[C@@H]1C[C@@]12CCOC2 902326465 582596763 /nfs/dbraw/zinc/59/67/63/582596763.db2.gz SSROIAKYCWAZRN-VHSXEESVSA-N 0 0 184.304 2.332 10 30 AEEERN C=CCSC[C@H]1C[C@@]12CCOC2 902326463 582596796 /nfs/dbraw/zinc/59/67/96/582596796.db2.gz SSROIAKYCWAZRN-NXEZZACHSA-N 0 0 184.304 2.332 10 30 AEEERN C#CCCCSCc1n[nH]cc1C 902349487 582596840 /nfs/dbraw/zinc/59/68/40/582596840.db2.gz DNIPFGKJXHGDQH-UHFFFAOYSA-N 0 0 194.303 2.365 10 30 AEEERN C=CCSCc1n[nH]cc1C 902327334 582597098 /nfs/dbraw/zinc/59/70/98/582597098.db2.gz WXRFXFOZQXCGPH-UHFFFAOYSA-N 0 0 168.265 2.137 10 30 AEEERN C=CCSC[C@H]1C[C@]12CCOC2 902326466 582597120 /nfs/dbraw/zinc/59/71/20/582597120.db2.gz SSROIAKYCWAZRN-ZJUUUORDSA-N 0 0 184.304 2.332 10 30 AEEERN C=CCSC[C@@H]1C[C@]12CCOC2 902326464 582597222 /nfs/dbraw/zinc/59/72/22/582597222.db2.gz SSROIAKYCWAZRN-UWVGGRQHSA-N 0 0 184.304 2.332 10 30 AEEERN CC#CCSC[C@@H]1C[C@]12CCOC2 902546239 582608833 /nfs/dbraw/zinc/60/88/33/582608833.db2.gz BACKKZBZUGQEHL-QWRGUYRKSA-N 0 0 196.315 2.170 10 30 AEEERN CC#CCSC[C@@H]1C[C@@]12CCOC2 902546240 582609164 /nfs/dbraw/zinc/60/91/64/582609164.db2.gz BACKKZBZUGQEHL-WDEREUQCSA-N 0 0 196.315 2.170 10 30 AEEERN COC[C@H](CON=CC1CC1)C(C)C 902531281 582609214 /nfs/dbraw/zinc/60/92/14/582609214.db2.gz GGKLYWJLXZYQAG-LLVKDONJSA-N 0 0 199.294 2.317 10 30 AEEERN CC#CCSC[C@H]1C[C@@]12CCOC2 902546237 582609257 /nfs/dbraw/zinc/60/92/57/582609257.db2.gz BACKKZBZUGQEHL-GHMZBOCLSA-N 0 0 196.315 2.170 10 30 AEEERN N#CC1CCC(CSCCO)CC1 902565361 582609306 /nfs/dbraw/zinc/60/93/06/582609306.db2.gz CWZQECGVUSVTDA-UHFFFAOYSA-N 0 0 199.319 2.042 10 30 AEEERN CC#CCSC[C@H]1C[C@]12CCOC2 902546238 582609355 /nfs/dbraw/zinc/60/93/55/582609355.db2.gz BACKKZBZUGQEHL-MNOVXSKESA-N 0 0 196.315 2.170 10 30 AEEERN CC#CCCSCc1nonc1C 902527498 582609436 /nfs/dbraw/zinc/60/94/36/582609436.db2.gz HENOIVXOFJYWEA-UHFFFAOYSA-N 0 0 196.275 2.025 10 30 AEEERN COC[C@@H](CON=CC1CC1)C(C)C 902531283 582609449 /nfs/dbraw/zinc/60/94/49/582609449.db2.gz GGKLYWJLXZYQAG-NSHDSACASA-N 0 0 199.294 2.317 10 30 AEEERN C(=NOCCc1ccns1)C1CC1 902531760 582609614 /nfs/dbraw/zinc/60/96/14/582609614.db2.gz HKLCMCWSZWCWGQ-UHFFFAOYSA-N 0 0 196.275 2.098 10 30 AEEERN CC[C@@H]1C[C@H]1CON=C[C@@H]1CCCO1 902582285 582609861 /nfs/dbraw/zinc/60/98/61/582609861.db2.gz FRUCQRMHMTXRKE-VWYCJHECSA-N 0 0 197.278 2.214 10 30 AEEERN CC#CCSCCc1ccns1 902569838 582609931 /nfs/dbraw/zinc/60/99/31/582609931.db2.gz WUYIVPFKHGUKAT-UHFFFAOYSA-N 0 0 197.328 2.442 10 30 AEEERN C=C(C)CCn1oc(C)c(CC)c1=O 902579922 582609948 /nfs/dbraw/zinc/60/99/48/582609948.db2.gz QGOZRRXRHZRBBZ-UHFFFAOYSA-N 0 0 195.262 2.278 10 30 AEEERN C=CCCCn1oc(C)c(CC)c1=O 902581181 582610061 /nfs/dbraw/zinc/61/00/61/582610061.db2.gz FCITYNAORYFSBN-UHFFFAOYSA-N 0 0 195.262 2.278 10 30 AEEERN C=CCCCCOCc1cn[nH]c1 902587746 582610306 /nfs/dbraw/zinc/61/03/06/582610306.db2.gz CBISQAUCZZZFTA-UHFFFAOYSA-N 0 0 180.251 2.283 10 30 AEEERN CC[C@@H]1C[C@H]1CON=C[C@H]1CCCO1 902582284 582610320 /nfs/dbraw/zinc/61/03/20/582610320.db2.gz FRUCQRMHMTXRKE-OUAUKWLOSA-N 0 0 197.278 2.214 10 30 AEEERN C#CCCCCCCn1cccn1 902713931 582611695 /nfs/dbraw/zinc/61/16/95/582611695.db2.gz QLPNZYMDKNZPRB-UHFFFAOYSA-N 0 0 176.263 2.467 10 30 AEEERN C=CCn1c(C)cc(C)c(Cl)c1=O 902673056 582611755 /nfs/dbraw/zinc/61/17/55/582611755.db2.gz HDVVLDQFHYTLEP-UHFFFAOYSA-N 0 0 197.665 2.305 10 30 AEEERN C=C(C)CCn1ccc(Cl)cc1=O 902651768 582611992 /nfs/dbraw/zinc/61/19/92/582611992.db2.gz JSFVDEUKXLLKNG-UHFFFAOYSA-N 0 0 197.665 2.468 10 30 AEEERN C#CCCCCCCn1cnc(C)n1 902752912 582612448 /nfs/dbraw/zinc/61/24/48/582612448.db2.gz RQAHXNOMWIADAR-UHFFFAOYSA-N 0 0 191.278 2.170 10 30 AEEERN C=C(C)COc1cc(F)ccc1CO 902781968 582613692 /nfs/dbraw/zinc/61/36/92/582613692.db2.gz OYWCJUHDZUJZJB-UHFFFAOYSA-N 0 0 196.221 2.273 10 30 AEEERN C#CCCCCCCn1cc(C)nn1 902752923 582612569 /nfs/dbraw/zinc/61/25/69/582612569.db2.gz SEZOQEQBKFDKCF-UHFFFAOYSA-N 0 0 191.278 2.170 10 30 AEEERN C=CCCCCON=C(C)C(C)=O 902758140 582612986 /nfs/dbraw/zinc/61/29/86/582612986.db2.gz HUQIXPSMUPXONQ-UHFFFAOYSA-N 0 0 183.251 2.324 10 30 AEEERN CC(=O)C(C)=NOC[C@H]1C[C@@H]2C[C@@H]2C1 902758434 582613023 /nfs/dbraw/zinc/61/30/23/582613023.db2.gz OTDZFNVVQUMGDD-JGPRNRPPSA-N 0 0 195.262 2.014 10 30 AEEERN CC(=O)C(C)=NOCC1CC(C)(C)C1 902758396 582613031 /nfs/dbraw/zinc/61/30/31/582613031.db2.gz NFXYSBGCLMGOKR-UHFFFAOYSA-N 0 0 197.278 2.404 10 30 AEEERN C=CCCOc1cc(F)ccc1CO 902782133 582613582 /nfs/dbraw/zinc/61/35/82/582613582.db2.gz WEDKOLMMMSTUPM-UHFFFAOYSA-N 0 0 196.221 2.273 10 30 AEEERN C#CCCOc1cccc(OC)c1C 902794393 582614671 /nfs/dbraw/zinc/61/46/71/582614671.db2.gz HFXXSMOSTBVOEH-UHFFFAOYSA-N 0 0 190.242 2.406 10 30 AEEERN CCCCN(O)C(=O)CC(C)C 904207870 582632631 /nfs/dbraw/zinc/63/26/31/582632631.db2.gz GFQQNBMHYFAHPS-UHFFFAOYSA-N 0 0 173.256 2.050 10 30 AEEERN CCCCCCN(O)C(=O)C(F)F 904205025 582632680 /nfs/dbraw/zinc/63/26/80/582632680.db2.gz YAFZEJDCPOSKMM-UHFFFAOYSA-N 0 0 195.209 2.050 10 30 AEEERN CCCCCCN(O)C(=O)[C@@H]1C[C@@H]1C 904205503 582632729 /nfs/dbraw/zinc/63/27/29/582632729.db2.gz KKFLEYXQPBXMHS-VHSXEESVSA-N 0 0 199.294 2.441 10 30 AEEERN CCCCCCN(O)C(=O)C1CC1 904205826 582632739 /nfs/dbraw/zinc/63/27/39/582632739.db2.gz UTZKHTMUYPGXBT-UHFFFAOYSA-N 0 0 185.267 2.195 10 30 AEEERN CCCCCCN(O)C(=O)[C@@H]1C[C@H]1C 904204362 582632743 /nfs/dbraw/zinc/63/27/43/582632743.db2.gz KKFLEYXQPBXMHS-NXEZZACHSA-N 0 0 199.294 2.441 10 30 AEEERN CCCCCCN(O)C(=O)CC 904205578 582632767 /nfs/dbraw/zinc/63/27/67/582632767.db2.gz NKHVTTGMAPKKHG-UHFFFAOYSA-N 0 0 173.256 2.195 10 30 AEEERN CCCCCCN(O)C(=O)[C@H]1C[C@H]1C 904205504 582632777 /nfs/dbraw/zinc/63/27/77/582632777.db2.gz KKFLEYXQPBXMHS-ZJUUUORDSA-N 0 0 199.294 2.441 10 30 AEEERN CCCCCCN(O)C(=O)[C@H]1C[C@@H]1C 904204370 582632901 /nfs/dbraw/zinc/63/29/01/582632901.db2.gz KKFLEYXQPBXMHS-UWVGGRQHSA-N 0 0 199.294 2.441 10 30 AEEERN CCCCN(O)C(=O)[C@H]1CCC1(C)C 904214994 582632939 /nfs/dbraw/zinc/63/29/39/582632939.db2.gz VULLLTXMWIDWNM-SECBINFHSA-N 0 0 199.294 2.441 10 30 AEEERN CCCCCCN(O)C(=O)C(C)C 904205373 582633175 /nfs/dbraw/zinc/63/31/75/582633175.db2.gz KBGRMRVKXWQXKY-UHFFFAOYSA-N 0 0 187.283 2.441 10 30 AEEERN CCCCN(O)C(=O)[C@H]1C[C@H]1C(C)C 904211769 582633495 /nfs/dbraw/zinc/63/34/95/582633495.db2.gz DJUFOGWIWYIMFJ-UWVGGRQHSA-N 0 0 199.294 2.296 10 30 AEEERN CCCCN(O)C(=O)CCCCC#N 904214885 582633516 /nfs/dbraw/zinc/63/35/16/582633516.db2.gz QNEOHQVRYZHSOU-UHFFFAOYSA-N 0 0 198.266 2.088 10 30 AEEERN CCCCN(O)C(=O)CCC(F)F 904212478 582633529 /nfs/dbraw/zinc/63/35/29/582633529.db2.gz FGHIIWYWMOESBQ-UHFFFAOYSA-N 0 0 195.209 2.050 10 30 AEEERN CCCCN(O)C(=O)[C@H]1C[C@@H]1C(C)C 904211771 582633533 /nfs/dbraw/zinc/63/35/33/582633533.db2.gz DJUFOGWIWYIMFJ-ZJUUUORDSA-N 0 0 199.294 2.296 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1C[C@@H]1C(C)C 904211768 582633575 /nfs/dbraw/zinc/63/35/75/582633575.db2.gz DJUFOGWIWYIMFJ-NXEZZACHSA-N 0 0 199.294 2.296 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1CCC1(C)C 904214995 582633639 /nfs/dbraw/zinc/63/36/39/582633639.db2.gz VULLLTXMWIDWNM-VIFPVBQESA-N 0 0 199.294 2.441 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1C[C@H]1C(C)C 904211770 582633680 /nfs/dbraw/zinc/63/36/80/582633680.db2.gz DJUFOGWIWYIMFJ-VHSXEESVSA-N 0 0 199.294 2.296 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1C[C@H]1CC 904215024 582633794 /nfs/dbraw/zinc/63/37/94/582633794.db2.gz XLGQHDGKMZFUGK-RKDXNWHRSA-N 0 0 185.267 2.050 10 30 AEEERN C=C1CC(C)(C(=O)N(O)CCCC)C1 904215658 582633854 /nfs/dbraw/zinc/63/38/54/582633854.db2.gz IUANLRRUOVDJMY-UHFFFAOYSA-N 0 0 197.278 2.361 10 30 AEEERN CCCCN(O)C(=O)C1(C2CC2)CC1 904215941 582633980 /nfs/dbraw/zinc/63/39/80/582633980.db2.gz RHSSKADJEVFNSI-UHFFFAOYSA-N 0 0 197.278 2.195 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 904214525 582633998 /nfs/dbraw/zinc/63/39/98/582633998.db2.gz BWHRVQOUMPEWPU-MYJAWHEDSA-N 0 0 197.278 2.050 10 30 AEEERN CCCCN(O)C(=O)[C@@H]1CC1(C)C 904212145 582634011 /nfs/dbraw/zinc/63/40/11/582634011.db2.gz KZXSXTBLAYXSRH-QMMMGPOBSA-N 0 0 185.267 2.050 10 30 AEEERN C=C(C)c1ccc(CC(N)=O)c(C)c1 904795736 582640765 /nfs/dbraw/zinc/64/07/65/582640765.db2.gz XJHAHQFFLVZALH-UHFFFAOYSA-N 0 0 189.258 2.056 10 30 AEEERN C=C(C)c1nc2c(s1)COCC2 904794739 582640807 /nfs/dbraw/zinc/64/08/07/582640807.db2.gz CNQPKDNRSNCUFF-UHFFFAOYSA-N 0 0 181.260 2.249 10 30 AEEERN C=C(C)c1cc(C)ncc1OC 904795709 582640900 /nfs/dbraw/zinc/64/09/00/582640900.db2.gz WNONQULSFGWMEK-UHFFFAOYSA-N 0 0 163.220 2.432 10 30 AEEERN S[C@@H]1CCCc2cccnc21 148859557 582641275 /nfs/dbraw/zinc/64/12/75/582641275.db2.gz ZIUFTERZTXCRDJ-MRVPVSSYSA-N 0 0 165.261 2.389 10 30 AEEERN S[C@H]1CCCc2cccnc21 148859749 582641393 /nfs/dbraw/zinc/64/13/93/582641393.db2.gz ZIUFTERZTXCRDJ-QMMMGPOBSA-N 0 0 165.261 2.389 10 30 AEEERN C#CCCOc1cncc(CCC)c1 905094998 582642719 /nfs/dbraw/zinc/64/27/19/582642719.db2.gz DNXKFGMZWGNZOP-UHFFFAOYSA-N 0 0 189.258 2.436 10 30 AEEERN C=CC[S@](=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 905179763 582643691 /nfs/dbraw/zinc/64/36/91/582643691.db2.gz COTCNURECDIDJJ-DCQANWLSSA-N 0 0 198.331 2.357 10 30 AEEERN C=CC[S@](=O)C[C@@H]1CC[C@H]2C[C@H]2C1 905179766 582644134 /nfs/dbraw/zinc/64/41/34/582644134.db2.gz COTCNURECDIDJJ-XZUYRWCXSA-N 0 0 198.331 2.357 10 30 AEEERN C=CC[S@](=O)Cc1cccc(C)c1 905164085 582644333 /nfs/dbraw/zinc/64/43/33/582644333.db2.gz CLJCZXKMDVBLMV-ZDUSSCGKSA-N 0 0 194.299 2.430 10 30 AEEERN C=CC[S@](=O)[C@H](CC)CCC 905164644 582644354 /nfs/dbraw/zinc/64/43/54/582644354.db2.gz DPYKDPZALNPUIG-KOLCDFICSA-N 0 0 174.309 2.500 10 30 AEEERN C=CC[S@@](=O)c1ccc(C)s1 905169537 582644369 /nfs/dbraw/zinc/64/43/69/582644369.db2.gz GVYMSUFXZJUZEE-LLVKDONJSA-N 0 0 186.301 2.350 10 30 AEEERN C=CC[S@@](=O)[C@H](CC)CCC 905164645 582644387 /nfs/dbraw/zinc/64/43/87/582644387.db2.gz DPYKDPZALNPUIG-MWLCHTKSSA-N 0 0 174.309 2.500 10 30 AEEERN C=CC[S@](=O)[C@@H](CC)CCC 905164646 582644460 /nfs/dbraw/zinc/64/44/60/582644460.db2.gz DPYKDPZALNPUIG-ONGXEEELSA-N 0 0 174.309 2.500 10 30 AEEERN C=CC[S@](=O)c1ccc(C)s1 905169542 582644466 /nfs/dbraw/zinc/64/44/66/582644466.db2.gz GVYMSUFXZJUZEE-NSHDSACASA-N 0 0 186.301 2.350 10 30 AEEERN C=CC[S@@](=O)[C@@H](CC)CCC 905164641 582644671 /nfs/dbraw/zinc/64/46/71/582644671.db2.gz DPYKDPZALNPUIG-GXSJLCMTSA-N 0 0 174.309 2.500 10 30 AEEERN C=CC[S@](=O)C(C)(C)C(C)C 905165143 582644699 /nfs/dbraw/zinc/64/46/99/582644699.db2.gz DBSSEKGNEVLDHF-NSHDSACASA-N 0 0 174.309 2.356 10 30 AEEERN C=CC[S@@](=O)Cc1cccc(C)c1 905164084 582644704 /nfs/dbraw/zinc/64/47/04/582644704.db2.gz CLJCZXKMDVBLMV-CYBMUJFWSA-N 0 0 194.299 2.430 10 30 AEEERN C=CC[S@@](=O)C(C)(C)C(C)C 905165141 582644745 /nfs/dbraw/zinc/64/47/45/582644745.db2.gz DBSSEKGNEVLDHF-LLVKDONJSA-N 0 0 174.309 2.356 10 30 AEEERN C1C[C@H]2CC(=NN3CCC3)C[C@@H]2C1 905492596 582650347 /nfs/dbraw/zinc/65/03/47/582650347.db2.gz MJHFAEAHBVGXLO-UWVGGRQHSA-N 0 0 178.279 2.258 10 30 AEEERN COCCON=C1C[C@@H]2CCC[C@H]2C1 905449582 582649000 /nfs/dbraw/zinc/64/90/00/582649000.db2.gz LZRZNANAXWXWRT-UWVGGRQHSA-N 0 0 197.278 2.216 10 30 AEEERN C=CC[S@@](=O)CCCC(C)(F)F 905222547 582645049 /nfs/dbraw/zinc/64/50/49/582645049.db2.gz MXTOTOFXPKSBKR-GFCCVEGCSA-N 0 0 196.262 2.357 10 30 AEEERN C=CC[S@](=O)CCCC(C)(F)F 905222548 582645387 /nfs/dbraw/zinc/64/53/87/582645387.db2.gz MXTOTOFXPKSBKR-LBPRGKRZSA-N 0 0 196.262 2.357 10 30 AEEERN C=CCS(=O)(=O)[C@@H](CC)CCC 905251146 582645839 /nfs/dbraw/zinc/64/58/39/582645839.db2.gz BBSYJCKGBUDWKN-VIFPVBQESA-N 0 0 190.308 2.166 10 30 AEEERN C=CCS(=O)(=O)C(C)(C)C(C)C 905253180 582646085 /nfs/dbraw/zinc/64/60/85/582646085.db2.gz ZJMJJONTTQQNEU-UHFFFAOYSA-N 0 0 190.308 2.022 10 30 AEEERN C=CCS(=O)(=O)[C@H](CC)CCC 905251145 582646131 /nfs/dbraw/zinc/64/61/31/582646131.db2.gz BBSYJCKGBUDWKN-SECBINFHSA-N 0 0 190.308 2.166 10 30 AEEERN COCCON=C1C[C@H]2CCC[C@@H]2C1 905449580 582648727 /nfs/dbraw/zinc/64/87/27/582648727.db2.gz LZRZNANAXWXWRT-NXEZZACHSA-N 0 0 197.278 2.216 10 30 AEEERN CON=C1C[C@@H]2CCC[C@@H]2C1 905433652 582648578 /nfs/dbraw/zinc/64/85/78/582648578.db2.gz BLIIHWFXWOTZNZ-OCAPTIKFSA-N 0 0 153.225 2.199 10 30 AEEERN CON=C1C[C@@H]2CCC[C@H]2C1 905433653 582648657 /nfs/dbraw/zinc/64/86/57/582648657.db2.gz BLIIHWFXWOTZNZ-YUMQZZPRSA-N 0 0 153.225 2.199 10 30 AEEERN CON=C1C[C@H]2CCC[C@@H]2C1 905433651 582648760 /nfs/dbraw/zinc/64/87/60/582648760.db2.gz BLIIHWFXWOTZNZ-HTQZYQBOSA-N 0 0 153.225 2.199 10 30 AEEERN CCON=C1CCC[C@@H](OCC)C1 905433682 582648880 /nfs/dbraw/zinc/64/88/80/582648880.db2.gz CVCVXKUUNHQPIU-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN COCCON=C1C[C@@H]2CCC[C@@H]2C1 905449577 582648939 /nfs/dbraw/zinc/64/89/39/582648939.db2.gz LZRZNANAXWXWRT-AOOOYVTPSA-N 0 0 197.278 2.216 10 30 AEEERN CCON=C1CCC[C@H](OCC)C1 905433681 582648961 /nfs/dbraw/zinc/64/89/61/582648961.db2.gz CVCVXKUUNHQPIU-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN CON=C[C@]1(C)[C@@H](C)[C@]1(F)Cl 905436906 582649485 /nfs/dbraw/zinc/64/94/85/582649485.db2.gz SVNOAFWCRHUAKH-FSDSQADBSA-N 0 0 179.622 2.179 10 30 AEEERN C1C[C@@H]2CC(N=NC3CC3)C[C@H]2C1 905459534 582649511 /nfs/dbraw/zinc/64/95/11/582649511.db2.gz FVLJIRPCUGGZIU-RKDXNWHRSA-N 0 0 178.279 2.305 10 30 AEEERN C1C[C@H]2CC(=NNC3CC3)C[C@H]2C1 905459530 582649533 /nfs/dbraw/zinc/64/95/33/582649533.db2.gz FVLJIRPCUGGZIU-DTORHVGOSA-N 0 0 178.279 2.305 10 30 AEEERN C1C[C@H]2CC(N=NC3CC3)C[C@@H]2C1 905459532 582649544 /nfs/dbraw/zinc/64/95/44/582649544.db2.gz FVLJIRPCUGGZIU-IUCAKERBSA-N 0 0 178.279 2.305 10 30 AEEERN CON=C[C@]1(C)[C@@H](C)[C@@]1(F)Cl 905436908 582649614 /nfs/dbraw/zinc/64/96/14/582649614.db2.gz SVNOAFWCRHUAKH-QYNIQEEDSA-N 0 0 179.622 2.179 10 30 AEEERN CON=C(CC(C)C)C1CCOCC1 905434389 582649647 /nfs/dbraw/zinc/64/96/47/582649647.db2.gz RCEBZPOPAKNROU-UHFFFAOYSA-N 0 0 199.294 2.462 10 30 AEEERN CCON=Cc1nc(C(C)(C)C)co1 905434955 582649650 /nfs/dbraw/zinc/64/96/50/582649650.db2.gz WCVQKVFZPVQMOP-UHFFFAOYSA-N 0 0 196.250 2.343 10 30 AEEERN CCON=Cc1cc(C)cnc1Cl 905435020 582649685 /nfs/dbraw/zinc/64/96/85/582649685.db2.gz WTHZAYSULYHYKB-UHFFFAOYSA-N 0 0 198.653 2.414 10 30 AEEERN CON=C[C@]1(C)[C@H](C)[C@]1(F)Cl 905436909 582649767 /nfs/dbraw/zinc/64/97/67/582649767.db2.gz SVNOAFWCRHUAKH-RRKCRQDMSA-N 0 0 179.622 2.179 10 30 AEEERN CON=Cc1c(C)cc(C#N)cc1C 905437448 582649801 /nfs/dbraw/zinc/64/98/01/582649801.db2.gz YMQGIWSOODZZIE-UHFFFAOYSA-N 0 0 188.230 2.155 10 30 AEEERN CON=C[C@]1(C)[C@H](C)[C@@]1(F)Cl 905436911 582649831 /nfs/dbraw/zinc/64/98/31/582649831.db2.gz SVNOAFWCRHUAKH-XVMARJQXSA-N 0 0 179.622 2.179 10 30 AEEERN CON=Cc1cc(C)cnc1Cl 905434328 582649880 /nfs/dbraw/zinc/64/98/80/582649880.db2.gz PDZLMEFRBDGIDH-UHFFFAOYSA-N 0 0 184.626 2.024 10 30 AEEERN c1cnn(N=C2C[C@@H]3CCC[C@H]3C2)c1 905489389 582650086 /nfs/dbraw/zinc/65/00/86/582650086.db2.gz UHIFPWMTUAROEW-UWVGGRQHSA-N 0 0 189.262 2.297 10 30 AEEERN C1C[C@@H]2CC(=NN3CCC3)C[C@H]2C1 905492595 582650167 /nfs/dbraw/zinc/65/01/67/582650167.db2.gz MJHFAEAHBVGXLO-NXEZZACHSA-N 0 0 178.279 2.258 10 30 AEEERN C1C[C@H]2CC(=NN3CCC3)C[C@H]2C1 905492593 582650458 /nfs/dbraw/zinc/65/04/58/582650458.db2.gz MJHFAEAHBVGXLO-AOOOYVTPSA-N 0 0 178.279 2.258 10 30 AEEERN C=C(C)c1cn(C2CCOCC2)cn1 906169175 582655061 /nfs/dbraw/zinc/65/50/61/582655061.db2.gz RXFUAIGILPUODN-UHFFFAOYSA-N 0 0 192.262 2.268 10 30 AEEERN C=C(C)c1sc(C#N)nc1C 906169176 582655107 /nfs/dbraw/zinc/65/51/07/582655107.db2.gz RXTVLANYSHBHST-UHFFFAOYSA-N 0 0 164.233 2.356 10 30 AEEERN C#CCN(C(=O)/C(C)=C/C)C(C)(C)C 906269780 582655269 /nfs/dbraw/zinc/65/52/69/582655269.db2.gz NSRXEPHRIHKGKQ-CSKARUKUSA-N 0 0 193.290 2.213 10 30 AEEERN C#CCN(C(=O)/C(C)=C\C)C(C)(C)C 906269781 582655290 /nfs/dbraw/zinc/65/52/90/582655290.db2.gz NSRXEPHRIHKGKQ-NTMALXAHSA-N 0 0 193.290 2.213 10 30 AEEERN C=C[C@H](C)NC(=O)C1(C2CC2)CCC1 906963193 582658579 /nfs/dbraw/zinc/65/85/79/582658579.db2.gz IFERHOLNKQBRMR-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@@H](C)NC(=O)C1(C2CC2)CCC1 906963192 582658729 /nfs/dbraw/zinc/65/87/29/582658729.db2.gz IFERHOLNKQBRMR-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCN(C)C(=O)C1(C2CC2)CCC1 907518146 582660827 /nfs/dbraw/zinc/66/08/27/582660827.db2.gz LHVWPUKXYNMPBN-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)CNC(=O)C1(C2CC2)CCC1 907520845 582660855 /nfs/dbraw/zinc/66/08/55/582660855.db2.gz JLDDOISOVSWGMR-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C[C@H]1CCC[C@]2(C1)OC=CC2=O 675078502 582665043 /nfs/dbraw/zinc/66/50/43/582665043.db2.gz HCWRFGCORXWMBN-WCBMZHEXSA-N 0 0 166.220 2.048 10 30 AEEERN C#CCCC(=O)Nc1ccccc1C#C 675078504 582664749 /nfs/dbraw/zinc/66/47/49/582664749.db2.gz HGGJVKLNOYHJJK-UHFFFAOYSA-N 0 0 197.237 2.020 10 30 AEEERN Oc1cccc(C#CC(F)(F)F)c1 675078525 582664892 /nfs/dbraw/zinc/66/48/92/582664892.db2.gz HMJVJWSLJOIFMW-UHFFFAOYSA-N 0 0 186.132 2.306 10 30 AEEERN C[C@H]1CCC[C@@]2(C1)OC=CC2=O 675078503 582664952 /nfs/dbraw/zinc/66/49/52/582664952.db2.gz HCWRFGCORXWMBN-WPRPVWTQSA-N 0 0 166.220 2.048 10 30 AEEERN CCOCCON=C1CC[C@@H]1C(C)C 814907423 582666014 /nfs/dbraw/zinc/66/60/14/582666014.db2.gz ITRLYSJQODMGLK-SNVBAGLBSA-N 0 0 199.294 2.462 10 30 AEEERN CCOCCON=C1CC[C@H]1C(C)C 814907422 582666046 /nfs/dbraw/zinc/66/60/46/582666046.db2.gz ITRLYSJQODMGLK-JTQLQIEISA-N 0 0 199.294 2.462 10 30 AEEERN Cc1ccc(N=NC[C@H]2C[C@@H]2C)nc1 758374972 582666702 /nfs/dbraw/zinc/66/67/02/582666702.db2.gz LZPRRNMESZGBMB-VHSXEESVSA-N 0 0 189.262 2.444 10 30 AEEERN Cc1ccc(N=NC[C@@H]2C[C@H]2C)nc1 758374973 582666898 /nfs/dbraw/zinc/66/68/98/582666898.db2.gz LZPRRNMESZGBMB-ZJUUUORDSA-N 0 0 189.262 2.444 10 30 AEEERN C#Cc1cc(C)cs1 224164560 582668460 /nfs/dbraw/zinc/66/84/60/582668460.db2.gz AFPWJHWTABZUOB-UHFFFAOYSA-N 0 0 122.192 2.038 10 30 AEEERN C#CCCOC(=O)CC1=CCCCC1 730398012 582669307 /nfs/dbraw/zinc/66/93/07/582669307.db2.gz DAWGWWOYGSOPFO-UHFFFAOYSA-N 0 0 192.258 2.443 10 30 AEEERN CCCn1cc(C=NOC(C)C)cn1 835000597 582670085 /nfs/dbraw/zinc/67/00/85/582670085.db2.gz OHIYCEQOQXDUMF-UHFFFAOYSA-N 0 0 195.266 2.052 10 30 AEEERN Cc1cnccc1C=NOCC1CC1 834981975 582670097 /nfs/dbraw/zinc/67/00/97/582670097.db2.gz ICIZFGKCNMTXPB-UHFFFAOYSA-N 0 0 190.246 2.151 10 30 AEEERN CC(C)ON=Cc1ccc(C#N)s1 834999562 582670106 /nfs/dbraw/zinc/67/01/06/582670106.db2.gz CYXTYZGJZGYTRU-UHFFFAOYSA-N 0 0 194.259 2.379 10 30 AEEERN CC(C)ON=C[C@@H]1CC1(F)F 834999530 582670125 /nfs/dbraw/zinc/67/01/25/582670125.db2.gz BXIJNNOPBKKGRT-LURJTMIESA-N 0 0 163.167 2.052 10 30 AEEERN CC[C@@H](C)CON=C1COCC1(C)C 834981652 582670173 /nfs/dbraw/zinc/67/01/73/582670173.db2.gz VMJMGFSQLSKKQM-SECBINFHSA-N 0 0 199.294 2.462 10 30 AEEERN CCc1cnc(C=NOC(C)C)s1 834999824 582670176 /nfs/dbraw/zinc/67/01/76/582670176.db2.gz FDOBXDDRDCYUFA-UHFFFAOYSA-N 0 0 198.291 2.464 10 30 AEEERN CC[C@H](C)CON=C1COCC1(C)C 834981653 582670314 /nfs/dbraw/zinc/67/03/14/582670314.db2.gz VMJMGFSQLSKKQM-VIFPVBQESA-N 0 0 199.294 2.462 10 30 AEEERN CC(C)ON=C[C@@H](C)CCC#N 835000854 582670386 /nfs/dbraw/zinc/67/03/86/582670386.db2.gz ACMKVIITOQWENM-VIFPVBQESA-N 0 0 168.240 2.337 10 30 AEEERN CC(C)ON=Cc1ccc(Cl)nc1 834999486 582670401 /nfs/dbraw/zinc/67/04/01/582670401.db2.gz CEOUINDBZRQRMH-UHFFFAOYSA-N 0 0 198.653 2.494 10 30 AEEERN CC(C)ON=C[C@H]1CC1(F)F 834999541 582670472 /nfs/dbraw/zinc/67/04/72/582670472.db2.gz BXIJNNOPBKKGRT-ZCFIWIBFSA-N 0 0 163.167 2.052 10 30 AEEERN CC(C)ON=C[C@H](C)CCC#N 835000738 582670454 /nfs/dbraw/zinc/67/04/54/582670454.db2.gz ACMKVIITOQWENM-SECBINFHSA-N 0 0 168.240 2.337 10 30 AEEERN C#CCNN=C1CC[C@@H]1C(C)(C)C 835008696 582670602 /nfs/dbraw/zinc/67/06/02/582670602.db2.gz LFJJVKMSHKJFQR-VIFPVBQESA-N 0 0 178.279 2.021 10 30 AEEERN CC(=NOC(C)C)c1ccncc1 835003841 582670721 /nfs/dbraw/zinc/67/07/21/582670721.db2.gz FQEVQRMKVBCKGN-UHFFFAOYSA-N 0 0 178.235 2.231 10 30 AEEERN C=CCON=Cc1ccnn1C(C)C 835013104 582670738 /nfs/dbraw/zinc/67/07/38/582670738.db2.gz HTTZGIOPOKHINF-UHFFFAOYSA-N 0 0 193.250 2.001 10 30 AEEERN Cc1nc(F)ccc1C=NOC(C)C 835003729 582670782 /nfs/dbraw/zinc/67/07/82/582670782.db2.gz ZLAOBSUSKDKMBD-UHFFFAOYSA-N 0 0 196.225 2.288 10 30 AEEERN CCSCC=NOC(C)C 835003238 582670815 /nfs/dbraw/zinc/67/08/15/582670815.db2.gz WTNUJWFIQNZRTM-UHFFFAOYSA-N 0 0 161.270 2.150 10 30 AEEERN C#CCNN=C1CC[C@H]1C(C)(C)C 835008695 582670839 /nfs/dbraw/zinc/67/08/39/582670839.db2.gz LFJJVKMSHKJFQR-SECBINFHSA-N 0 0 178.279 2.021 10 30 AEEERN C=CCON=CC1(SC)CC1 835012922 582670888 /nfs/dbraw/zinc/67/08/88/582670888.db2.gz AKDMYDUNRJSHCH-UHFFFAOYSA-N 0 0 171.265 2.070 10 30 AEEERN CC(C)ON=CCC[C@@H]1CCOC1 835003205 582670900 /nfs/dbraw/zinc/67/09/00/582670900.db2.gz RVDNKDGWRBJZJX-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN CC(C)ON=CC1(C)CCOCC1 835003528 582670957 /nfs/dbraw/zinc/67/09/57/582670957.db2.gz UUHJZHGFBQIACS-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN C#CCNN=C(C)CC(C)(C)C 835007809 582670970 /nfs/dbraw/zinc/67/09/70/582670970.db2.gz COCCHSXFTFMRCF-UHFFFAOYSA-N 0 0 166.268 2.021 10 30 AEEERN CC(C)ON=CCC[C@H]1CCOC1 835003203 582670975 /nfs/dbraw/zinc/67/09/75/582670975.db2.gz RVDNKDGWRBJZJX-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN C=CCON=C1C[C@@H](C)[C@H]1C 835014022 582671180 /nfs/dbraw/zinc/67/11/80/582671180.db2.gz AGMYHHLZWUJPTF-HTQZYQBOSA-N 0 0 153.225 2.221 10 30 AEEERN C=CCON=C[C@@H]1CCO[C@@H](CC)C1 835013201 582671265 /nfs/dbraw/zinc/67/12/65/582671265.db2.gz LHFYAPRGYXJUFD-MNOVXSKESA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C[C@H]1CCO[C@@H](CC)C1 835013202 582671310 /nfs/dbraw/zinc/67/13/10/582671310.db2.gz LHFYAPRGYXJUFD-QWRGUYRKSA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C[C@@H]1CCO[C@H](CC)C1 835013200 582671401 /nfs/dbraw/zinc/67/14/01/582671401.db2.gz LHFYAPRGYXJUFD-GHMZBOCLSA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C1C[C@@H](C)[C@@H]1C 835014024 582671435 /nfs/dbraw/zinc/67/14/35/582671435.db2.gz AGMYHHLZWUJPTF-SFYZADRCSA-N 0 0 153.225 2.221 10 30 AEEERN C=CCON=C1C[C@H](C)[C@@H]1C 835014033 582671466 /nfs/dbraw/zinc/67/14/66/582671466.db2.gz AGMYHHLZWUJPTF-YUMQZZPRSA-N 0 0 153.225 2.221 10 30 AEEERN C=CCON=C[C@H]1CCO[C@H](CC)C1 835013203 582671490 /nfs/dbraw/zinc/67/14/90/582671490.db2.gz LHFYAPRGYXJUFD-WDEREUQCSA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C1C[C@H](C)[C@H]1C 835014023 582671552 /nfs/dbraw/zinc/67/15/52/582671552.db2.gz AGMYHHLZWUJPTF-JGVFFNPUSA-N 0 0 153.225 2.221 10 30 AEEERN C=CCON=C1C[C@H](OC)C12CCC2 835014130 582671741 /nfs/dbraw/zinc/67/17/41/582671741.db2.gz BAOQNSCEPZBPJX-JTQLQIEISA-N 0 0 195.262 2.134 10 30 AEEERN C#C[C@@H](CC)NC(=O)/C=C(\C)CCC 754379113 582671897 /nfs/dbraw/zinc/67/18/97/582671897.db2.gz HQPITDIURXUXQF-USKTWTLRSA-N 0 0 193.290 2.261 10 30 AEEERN C=CCON=C1C[C@@H](OC)C12CCC2 835014131 582671922 /nfs/dbraw/zinc/67/19/22/582671922.db2.gz BAOQNSCEPZBPJX-SNVBAGLBSA-N 0 0 195.262 2.134 10 30 AEEERN C#CCOC(=O)[C@@H]1CCC[C@H]1CCC 835077896 582671938 /nfs/dbraw/zinc/67/19/38/582671938.db2.gz AMKNBLFBYZUROE-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)[C@@H](CC)CC(C)C 835077911 582671973 /nfs/dbraw/zinc/67/19/73/582671973.db2.gz BAEQTVFVQQFECN-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN C#CCOC(=O)[C@H]1CCC[C@H]1CCC 835077897 582672022 /nfs/dbraw/zinc/67/20/22/582672022.db2.gz AMKNBLFBYZUROE-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)[C@H](CC)CC(C)C 835077922 582672031 /nfs/dbraw/zinc/67/20/31/582672031.db2.gz BAEQTVFVQQFECN-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C#C[C@H](CC)NC(=O)/C=C(\C)CCC 754379111 582672054 /nfs/dbraw/zinc/67/20/54/582672054.db2.gz HQPITDIURXUXQF-PBQZMEPESA-N 0 0 193.290 2.261 10 30 AEEERN C#CCOC(=O)[C@H]1CCC[C@@H]1CCC 835077898 582672064 /nfs/dbraw/zinc/67/20/64/582672064.db2.gz AMKNBLFBYZUROE-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@@H](CC)NC(=O)/C=C(/C)CCC 754379110 582672076 /nfs/dbraw/zinc/67/20/76/582672076.db2.gz HQPITDIURXUXQF-JUDLJHIGSA-N 0 0 193.290 2.261 10 30 AEEERN C#CCOC(=O)[C@@H]1CCC[C@@H]1CCC 835077899 582672089 /nfs/dbraw/zinc/67/20/89/582672089.db2.gz AMKNBLFBYZUROE-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@H]1CC 835078036 582672114 /nfs/dbraw/zinc/67/21/14/582672114.db2.gz CDBIZMIDYGWAJP-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCON=Cc1cc(C)[nH]c1C 835014852 582672224 /nfs/dbraw/zinc/67/22/24/582672224.db2.gz AUBULUWREFAFOU-UHFFFAOYSA-N 0 0 178.235 2.168 10 30 AEEERN C#C[C@H](CC)NC(=O)/C=C(/C)CCC 754379109 582672357 /nfs/dbraw/zinc/67/23/57/582672357.db2.gz HQPITDIURXUXQF-DWOQACPDSA-N 0 0 193.290 2.261 10 30 AEEERN CCC(=NOC[C@@H]1CCOC1)C1CC1 788036161 582673745 /nfs/dbraw/zinc/67/37/45/582673745.db2.gz FDVTWTIAIFEAQQ-SECBINFHSA-N 0 0 197.278 2.216 10 30 AEEERN CCC[C@@H](C)C=NOC[C@H]1CCOC1 788032877 582672591 /nfs/dbraw/zinc/67/25/91/582672591.db2.gz FWGAZQTUKWYAAU-MNOVXSKESA-N 0 0 199.294 2.462 10 30 AEEERN C[C@@H]1CCCC1=NOC[C@H]1CCOC1 788032807 582672627 /nfs/dbraw/zinc/67/26/27/582672627.db2.gz BYNRJIHXIUITHH-ZJUUUORDSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@H]1CCCC1=NOC[C@H]1CCOC1 788032803 582672709 /nfs/dbraw/zinc/67/27/09/582672709.db2.gz BYNRJIHXIUITHH-UWVGGRQHSA-N 0 0 197.278 2.216 10 30 AEEERN CCC[C@H](C)C=NOC[C@@H]1CCOC1 788033040 582672865 /nfs/dbraw/zinc/67/28/65/582672865.db2.gz FWGAZQTUKWYAAU-WDEREUQCSA-N 0 0 199.294 2.462 10 30 AEEERN C=CC(C)(C)C(=O)O[C@H](C)CC#N 835160939 582672955 /nfs/dbraw/zinc/67/29/55/582672955.db2.gz DFXLDYRWGDEADR-MRVPVSSYSA-N 0 0 181.235 2.044 10 30 AEEERN C[C@H]1CCCC1=NOC[C@@H]1CCOC1 788032806 582673060 /nfs/dbraw/zinc/67/30/60/582673060.db2.gz BYNRJIHXIUITHH-VHSXEESVSA-N 0 0 197.278 2.216 10 30 AEEERN C=CC(C)(C)C(=O)O[C@@H](C)CC#N 835160940 582673142 /nfs/dbraw/zinc/67/31/42/582673142.db2.gz DFXLDYRWGDEADR-QMMMGPOBSA-N 0 0 181.235 2.044 10 30 AEEERN CCC[C@H](C)C=NOC[C@H]1CCOC1 788033037 582673220 /nfs/dbraw/zinc/67/32/20/582673220.db2.gz FWGAZQTUKWYAAU-QWRGUYRKSA-N 0 0 199.294 2.462 10 30 AEEERN C[C@@H]1CCCC1=NOC[C@@H]1CCOC1 788032802 582673227 /nfs/dbraw/zinc/67/32/27/582673227.db2.gz BYNRJIHXIUITHH-NXEZZACHSA-N 0 0 197.278 2.216 10 30 AEEERN CCC[C@@H](C)C=NOC[C@@H]1CCOC1 788032875 582673238 /nfs/dbraw/zinc/67/32/38/582673238.db2.gz FWGAZQTUKWYAAU-GHMZBOCLSA-N 0 0 199.294 2.462 10 30 AEEERN CC(=NOC[C@@H]1CCOC1)C1CCC1 788033129 582673244 /nfs/dbraw/zinc/67/32/44/582673244.db2.gz GRMFLOVJSGCHBO-SNVBAGLBSA-N 0 0 197.278 2.216 10 30 AEEERN CC(=NOC[C@H]1CCOC1)C1CCC1 788033128 582673277 /nfs/dbraw/zinc/67/32/77/582673277.db2.gz GRMFLOVJSGCHBO-JTQLQIEISA-N 0 0 197.278 2.216 10 30 AEEERN CCC(=NOC[C@H]1CCOC1)C1CC1 788036162 582673989 /nfs/dbraw/zinc/67/39/89/582673989.db2.gz FDVTWTIAIFEAQQ-VIFPVBQESA-N 0 0 197.278 2.216 10 30 AEEERN CC(C)(C)CC=NOC[C@@H]1CCOC1 788036246 582673997 /nfs/dbraw/zinc/67/39/97/582673997.db2.gz FHMPLFXXTVEKNK-SNVBAGLBSA-N 0 0 199.294 2.462 10 30 AEEERN CC(C)(C)CC=NOC[C@H]1CCOC1 788036189 582674304 /nfs/dbraw/zinc/67/43/04/582674304.db2.gz FHMPLFXXTVEKNK-JTQLQIEISA-N 0 0 199.294 2.462 10 30 AEEERN C=CC(C)(C)COC(=O)c1cocn1 835723924 582674703 /nfs/dbraw/zinc/67/47/03/582674703.db2.gz DHFWIMXCGNDQFF-UHFFFAOYSA-N 0 0 195.218 2.044 10 30 AEEERN C=CCOC(=O)c1ncoc1C(C)C 732386093 582675574 /nfs/dbraw/zinc/67/55/74/582675574.db2.gz DDPSTMLHNCJISP-UHFFFAOYSA-N 0 0 195.218 2.141 10 30 AEEERN C#CCCNC(=O)CCCC(C)(C)C 733246387 582678166 /nfs/dbraw/zinc/67/81/66/582678166.db2.gz DCGVQXDYOSGSTI-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C[C@H](CC#N)OC(=O)C[C@@H](C)C1CC1 733710601 582680575 /nfs/dbraw/zinc/68/05/75/582680575.db2.gz DKDLYVWGNWTWDB-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN CCCON=CCCc1cnoc1 842550485 582678399 /nfs/dbraw/zinc/67/83/99/582678399.db2.gz GQENGEIZPMKQGA-UHFFFAOYSA-N 0 0 182.223 2.020 10 30 AEEERN C[C@@H](CC#N)OC(=O)[C@@H]1CC=CCC1 733712277 582680396 /nfs/dbraw/zinc/68/03/96/582680396.db2.gz ISIBASURHZMDQU-VHSXEESVSA-N 0 0 193.246 2.188 10 30 AEEERN CCCON=CC1(SC)CC1 842550436 582678809 /nfs/dbraw/zinc/67/88/09/582678809.db2.gz FZSPXGRNDGBYMD-UHFFFAOYSA-N 0 0 173.281 2.294 10 30 AEEERN CCCON=Cc1cccnc1Cl 842550430 582678816 /nfs/dbraw/zinc/67/88/16/582678816.db2.gz FSLDAXZPKOAUBF-UHFFFAOYSA-N 0 0 198.653 2.496 10 30 AEEERN CCCON=C(C)c1nccn1CC 842550429 582678819 /nfs/dbraw/zinc/67/88/19/582678819.db2.gz FRQWWICRODSWSM-UHFFFAOYSA-N 0 0 195.266 2.054 10 30 AEEERN C[C@H](CC#N)NC(=O)/C=C/C(C)(C)C 735037966 582683468 /nfs/dbraw/zinc/68/34/68/582683468.db2.gz OMRRSAYKEZGSNN-VPIOIWJLSA-N 0 0 194.278 2.007 10 30 AEEERN C[C@@H](CC#N)OC(=O)C=C1CCCC1 733709149 582679627 /nfs/dbraw/zinc/67/96/27/582679627.db2.gz DSAPSUFUJAUIJS-VIFPVBQESA-N 0 0 193.246 2.332 10 30 AEEERN CCC1(C(=O)OC[C@@H](C)C#N)CCC1 770940601 582685700 /nfs/dbraw/zinc/68/57/00/582685700.db2.gz CQIWNPRGGJHWRN-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](CC#N)OC(=O)C=C1CCCC1 733709148 582679839 /nfs/dbraw/zinc/67/98/39/582679839.db2.gz DSAPSUFUJAUIJS-SECBINFHSA-N 0 0 193.246 2.332 10 30 AEEERN C[C@@H](CC#N)OC(=O)c1ccccc1 733710696 582679921 /nfs/dbraw/zinc/67/99/21/582679921.db2.gz IUTHTFZXNGIVSM-VIFPVBQESA-N 0 0 189.214 2.146 10 30 AEEERN C[C@H](CC#N)OC(=O)C[C@H]1C=CCC1 733709858 582679970 /nfs/dbraw/zinc/67/99/70/582679970.db2.gz YUZKRJKMOMNRSH-ZJUUUORDSA-N 0 0 193.246 2.188 10 30 AEEERN C/C(=C\C(=O)O[C@H](C)CC#N)C1CC1 733710664 582680052 /nfs/dbraw/zinc/68/00/52/582680052.db2.gz HPUVXNZPWVRPRQ-FCZSHJHJSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@H](CC#N)OC(=O)[C@@H]1CC=CCC1 733712275 582680056 /nfs/dbraw/zinc/68/00/56/582680056.db2.gz ISIBASURHZMDQU-NXEZZACHSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)OC(=O)CC1CCCC1 733709929 582680066 /nfs/dbraw/zinc/68/00/66/582680066.db2.gz QLCDDQRFIOMOKA-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN Cc1ccc(C(=O)O[C@H](C)CC#N)o1 733712638 582680096 /nfs/dbraw/zinc/68/00/96/582680096.db2.gz XXGUEIHTFHLAPJ-MRVPVSSYSA-N 0 0 193.202 2.047 10 30 AEEERN Cc1ccoc1C(=O)O[C@@H](C)CC#N 733710134 582680168 /nfs/dbraw/zinc/68/01/68/582680168.db2.gz YEWNZXZMXCQDHI-QMMMGPOBSA-N 0 0 193.202 2.047 10 30 AEEERN C[C@H](CC#N)OC(=O)C1CCCCC1 733710580 582680255 /nfs/dbraw/zinc/68/02/55/582680255.db2.gz CNJBPGRGFITNNY-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C[C@@H](CC#N)OC(=O)C1CCCCC1 733710581 582680267 /nfs/dbraw/zinc/68/02/67/582680267.db2.gz CNJBPGRGFITNNY-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C[C@H](CC#N)OC(=O)C1(C)CCCC1 733710121 582680299 /nfs/dbraw/zinc/68/02/99/582680299.db2.gz WFEPMDMNHBJBMH-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C[C@H](CC#N)OC(=O)[C@H]1CC=CCC1 733712278 582680303 /nfs/dbraw/zinc/68/03/03/582680303.db2.gz ISIBASURHZMDQU-ZJUUUORDSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)OC(=O)C[C@@H]1C=CCC1 733709857 582680322 /nfs/dbraw/zinc/68/03/22/582680322.db2.gz YUZKRJKMOMNRSH-VHSXEESVSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)OC(=O)C[C@@H](C)C1CC1 733710598 582680331 /nfs/dbraw/zinc/68/03/31/582680331.db2.gz DKDLYVWGNWTWDB-BDAKNGLRSA-N 0 0 195.262 2.268 10 30 AEEERN C/C(=C/C(=O)O[C@@H](C)CC#N)C1CC1 733710666 582680342 /nfs/dbraw/zinc/68/03/42/582680342.db2.gz HPUVXNZPWVRPRQ-FUOZMLNRSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)OC(=O)C[C@H]1C=CCC1 733709855 582680359 /nfs/dbraw/zinc/68/03/59/582680359.db2.gz YUZKRJKMOMNRSH-UWVGGRQHSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@H](CC#N)OC(=O)C[C@@H]1C=CCC1 733709853 582680361 /nfs/dbraw/zinc/68/03/61/582680361.db2.gz YUZKRJKMOMNRSH-NXEZZACHSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC(=O)O[C@H](C)CC#N)C1CC1 733710599 582680383 /nfs/dbraw/zinc/68/03/83/582680383.db2.gz DKDLYVWGNWTWDB-DTWKUNHWSA-N 0 0 195.262 2.268 10 30 AEEERN C/C(=C/C(=O)O[C@H](C)CC#N)C1CC1 733710667 582680407 /nfs/dbraw/zinc/68/04/07/582680407.db2.gz HPUVXNZPWVRPRQ-UFGYOYAJSA-N 0 0 193.246 2.188 10 30 AEEERN Cc1occc1C(=O)O[C@@H](C)CC#N 733710962 582680415 /nfs/dbraw/zinc/68/04/15/582680415.db2.gz OJOCFBJERAFBKT-ZETCQYMHSA-N 0 0 193.202 2.047 10 30 AEEERN Cc1ccoc1C(=O)O[C@H](C)CC#N 733710133 582680433 /nfs/dbraw/zinc/68/04/33/582680433.db2.gz YEWNZXZMXCQDHI-MRVPVSSYSA-N 0 0 193.202 2.047 10 30 AEEERN Cc1occc1C(=O)O[C@H](C)CC#N 733710961 582680442 /nfs/dbraw/zinc/68/04/42/582680442.db2.gz OJOCFBJERAFBKT-SSDOTTSWSA-N 0 0 193.202 2.047 10 30 AEEERN C[C@H](CC#N)OC(=O)CC1CCCC1 733709928 582680451 /nfs/dbraw/zinc/68/04/51/582680451.db2.gz QLCDDQRFIOMOKA-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN Cc1ccc(C(=O)O[C@@H](C)CC#N)o1 733712639 582680465 /nfs/dbraw/zinc/68/04/65/582680465.db2.gz XXGUEIHTFHLAPJ-QMMMGPOBSA-N 0 0 193.202 2.047 10 30 AEEERN C[C@H](CC#N)OC(=O)c1ccccc1 733710693 582680487 /nfs/dbraw/zinc/68/04/87/582680487.db2.gz IUTHTFZXNGIVSM-SECBINFHSA-N 0 0 189.214 2.146 10 30 AEEERN C/C(=C\C(=O)O[C@@H](C)CC#N)C1CC1 733710665 582680499 /nfs/dbraw/zinc/68/04/99/582680499.db2.gz HPUVXNZPWVRPRQ-FLOXNTQESA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)OC(=O)C[C@H](C)C1CC1 733710600 582680550 /nfs/dbraw/zinc/68/05/50/582680550.db2.gz DKDLYVWGNWTWDB-IUCAKERBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](CC#N)OC(=O)[C@H]1CC=CCC1 733712276 582680615 /nfs/dbraw/zinc/68/06/15/582680615.db2.gz ISIBASURHZMDQU-UWVGGRQHSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@@H](CC#N)OC(=O)C1(C)CCCC1 733710122 582680636 /nfs/dbraw/zinc/68/06/36/582680636.db2.gz WFEPMDMNHBJBMH-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C[C@@H](CC1CCCC1)C(=O)OCC#N 734052176 582680848 /nfs/dbraw/zinc/68/08/48/582680848.db2.gz FYUZYGNTLVIRIN-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C#CCN1CCCc2c(C)cccc21 734001012 582680953 /nfs/dbraw/zinc/68/09/53/582680953.db2.gz FJLPILFLTQVEDR-UHFFFAOYSA-N 0 0 185.270 2.381 10 30 AEEERN C#CCOC(=O)[C@H](C)CC1CCCC1 734051156 582680982 /nfs/dbraw/zinc/68/09/82/582680982.db2.gz AHZVAMABJYZOGC-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1[nH]ccc1C 884488489 582681034 /nfs/dbraw/zinc/68/10/34/582681034.db2.gz WYGDJGOUUUVSRC-SECBINFHSA-N 0 0 193.246 2.445 10 30 AEEERN C#CCOC(=O)[C@@H](C)CC1CCCC1 734051155 582681159 /nfs/dbraw/zinc/68/11/59/582681159.db2.gz AHZVAMABJYZOGC-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C=CC[C@H](C)OC(=O)c1[nH]ccc1C 884488490 582681180 /nfs/dbraw/zinc/68/11/80/582681180.db2.gz WYGDJGOUUUVSRC-VIFPVBQESA-N 0 0 193.246 2.445 10 30 AEEERN CC[C@@H](C#N)NC(=O)/C=C/C(C)(C)C 733893674 582681188 /nfs/dbraw/zinc/68/11/88/582681188.db2.gz HDZPINYWRMUPGO-UCUJLANTSA-N 0 0 194.278 2.007 10 30 AEEERN CC[C@@H](C#N)NC(=O)/C=C\C(C)(C)C 733893673 582681191 /nfs/dbraw/zinc/68/11/91/582681191.db2.gz HDZPINYWRMUPGO-NMTCXDENSA-N 0 0 194.278 2.007 10 30 AEEERN C#CCN(CC)C(=O)/C=C\C(C)(C)C 733924863 582681226 /nfs/dbraw/zinc/68/12/26/582681226.db2.gz YCTMHTJMPDQSOA-HJWRWDBZSA-N 0 0 193.290 2.070 10 30 AEEERN CC[C@H](C#N)NC(=O)/C=C\C(C)(C)C 733893672 582681302 /nfs/dbraw/zinc/68/13/02/582681302.db2.gz HDZPINYWRMUPGO-ATJFRQLMSA-N 0 0 194.278 2.007 10 30 AEEERN C#CCN(CC)C(=O)/C=C/C(C)(C)C 733924861 582681396 /nfs/dbraw/zinc/68/13/96/582681396.db2.gz YCTMHTJMPDQSOA-CMDGGOBGSA-N 0 0 193.290 2.070 10 30 AEEERN C[C@H](CC1CCCC1)C(=O)OCC#N 734052175 582681424 /nfs/dbraw/zinc/68/14/24/582681424.db2.gz FYUZYGNTLVIRIN-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CC[C@H](C#N)NC(=O)/C=C/C(C)(C)C 733893675 582681426 /nfs/dbraw/zinc/68/14/26/582681426.db2.gz HDZPINYWRMUPGO-XCODYQFDSA-N 0 0 194.278 2.007 10 30 AEEERN CCCON=C[C@H](C)CC 842551643 582681932 /nfs/dbraw/zinc/68/19/32/582681932.db2.gz BFSUTEAWZSENMO-MRVPVSSYSA-N 0 0 143.230 2.445 10 30 AEEERN c1ccc(N=NC2CCCOC2)cc1 734744343 582681981 /nfs/dbraw/zinc/68/19/81/582681981.db2.gz NDHNUYDUWGHEER-UHFFFAOYSA-N 0 0 190.246 2.265 10 30 AEEERN CCCON=C[C@@H]1CCSC1 842551578 582682164 /nfs/dbraw/zinc/68/21/64/582682164.db2.gz AYTSPNNVZLSBOW-QMMMGPOBSA-N 0 0 173.281 2.152 10 30 AEEERN CCCON=CC1(C)CC1 842551637 582682198 /nfs/dbraw/zinc/68/21/98/582682198.db2.gz BEJXDHGHJONMDW-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN CCCON=C[C@H]1CCSC1 842551571 582682199 /nfs/dbraw/zinc/68/21/99/582682199.db2.gz AYTSPNNVZLSBOW-MRVPVSSYSA-N 0 0 173.281 2.152 10 30 AEEERN CCCON=C[C@@H](C)CC 842551644 582682323 /nfs/dbraw/zinc/68/23/23/582682323.db2.gz BFSUTEAWZSENMO-QMMMGPOBSA-N 0 0 143.230 2.445 10 30 AEEERN CCCON=Cc1nc(C)cs1 842551544 582682412 /nfs/dbraw/zinc/68/24/12/582682412.db2.gz ASCAGEQHSSCDEO-UHFFFAOYSA-N 0 0 184.264 2.212 10 30 AEEERN CCCON=CCC1CCOCC1 842551638 582682484 /nfs/dbraw/zinc/68/24/84/582682484.db2.gz BFMSSOJBYINATJ-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CON=Cc1cn(C)c2ccccc12 755632830 582682936 /nfs/dbraw/zinc/68/29/36/582682936.db2.gz AKXFVKNMDXHERB-UHFFFAOYSA-N 0 0 188.230 2.159 10 30 AEEERN C[C@@H](CC#N)OC(=O)/C=C/C(C)(C)C 735216647 582682983 /nfs/dbraw/zinc/68/29/83/582682983.db2.gz ODWZEEVEXNVVLE-IWGCBNPKSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCOC(=O)C[C@H](C)n1cccc1 735140039 582683015 /nfs/dbraw/zinc/68/30/15/582683015.db2.gz MYFHAYHVVKZXOD-JTQLQIEISA-N 0 0 193.246 2.168 10 30 AEEERN C#CCC1(OC(=O)CC2CC2)CCC1 788067733 582683080 /nfs/dbraw/zinc/68/30/80/582683080.db2.gz OWFUNBHDZPFBRA-UHFFFAOYSA-N 0 0 192.258 2.276 10 30 AEEERN C#CC(C)(C)NC(=O)/C=C\C(C)(C)C 735055849 582682887 /nfs/dbraw/zinc/68/28/87/582682887.db2.gz SDXFSBONSCZPNG-HJWRWDBZSA-N 0 0 193.290 2.117 10 30 AEEERN C[C@@H](CC#N)NC(=O)/C=C/C(C)(C)C 735037963 582683179 /nfs/dbraw/zinc/68/31/79/582683179.db2.gz OMRRSAYKEZGSNN-IWGCBNPKSA-N 0 0 194.278 2.007 10 30 AEEERN C#CC(C)(C)NC(=O)/C=C/C(C)(C)C 735055848 582683199 /nfs/dbraw/zinc/68/31/99/582683199.db2.gz SDXFSBONSCZPNG-CMDGGOBGSA-N 0 0 193.290 2.117 10 30 AEEERN C[C@H](CC#N)OC(=O)/C=C\C(C)(C)C 735216650 582683227 /nfs/dbraw/zinc/68/32/27/582683227.db2.gz ODWZEEVEXNVVLE-WILPJHFFSA-N 0 0 195.262 2.434 10 30 AEEERN C[C@@H](CC#N)NC(=O)/C=C\C(C)(C)C 735037965 582683230 /nfs/dbraw/zinc/68/32/30/582683230.db2.gz OMRRSAYKEZGSNN-PGBBXKAQSA-N 0 0 194.278 2.007 10 30 AEEERN C=CCOC(=O)C[C@@H](C)n1cccc1 735140040 582683432 /nfs/dbraw/zinc/68/34/32/582683432.db2.gz MYFHAYHVVKZXOD-SNVBAGLBSA-N 0 0 193.246 2.168 10 30 AEEERN C[C@H](CC#N)NC(=O)/C=C\C(C)(C)C 735037967 582683434 /nfs/dbraw/zinc/68/34/34/582683434.db2.gz OMRRSAYKEZGSNN-WILPJHFFSA-N 0 0 194.278 2.007 10 30 AEEERN C[C@@H](CC#N)OC(=O)/C=C\C(C)(C)C 735216648 582683446 /nfs/dbraw/zinc/68/34/46/582683446.db2.gz ODWZEEVEXNVVLE-PGBBXKAQSA-N 0 0 195.262 2.434 10 30 AEEERN C[C@H](CC#N)OC(=O)/C=C/C(C)(C)C 735216649 582683480 /nfs/dbraw/zinc/68/34/80/582683480.db2.gz ODWZEEVEXNVVLE-VPIOIWJLSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCCCOC(=O)C1=COCCC1 735535226 582683534 /nfs/dbraw/zinc/68/35/34/582683534.db2.gz ZHQQHJODEOBKMB-UHFFFAOYSA-N 0 0 196.246 2.190 10 30 AEEERN CCCON=CC1CC(OCC)C1 842551951 582683876 /nfs/dbraw/zinc/68/38/76/582683876.db2.gz VNDHLLDRFHPKLE-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN C=CCCCOC(=O)c1ncoc1C 735534799 582683921 /nfs/dbraw/zinc/68/39/21/582683921.db2.gz AITIRLJAOBXBOB-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN C=CCCCOc1cc(C)c(C)nn1 735416634 582683959 /nfs/dbraw/zinc/68/39/59/582683959.db2.gz DZCKJNNCPJHFNY-UHFFFAOYSA-N 0 0 192.262 2.438 10 30 AEEERN N#CCOC(=O)/C=C\C1CCCCC1 735563724 582684056 /nfs/dbraw/zinc/68/40/56/582684056.db2.gz HUHSCKUTFNMJFY-SREVYHEPSA-N 0 0 193.246 2.190 10 30 AEEERN N#CCOC(=O)/C=C/C1CCCCC1 735563725 582684101 /nfs/dbraw/zinc/68/41/01/582684101.db2.gz HUHSCKUTFNMJFY-VOTSOKGWSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCCOC(=O)c1cccn1C 735523762 582684105 /nfs/dbraw/zinc/68/41/05/582684105.db2.gz BURSZUNAQUPYER-UHFFFAOYSA-N 0 0 193.246 2.148 10 30 AEEERN C=CCCCOC(=O)COCCC=C 735531799 582684187 /nfs/dbraw/zinc/68/41/87/582684187.db2.gz FAJLFFJTEGFRPP-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN C[C@@H](C#N)COC(=O)[C@@H]1CC=CCC1 770939224 582686052 /nfs/dbraw/zinc/68/60/52/582686052.db2.gz YRDLMXOQAKGQGF-VHSXEESVSA-N 0 0 193.246 2.046 10 30 AEEERN CCCON=C(C)c1cscn1 842552615 582686133 /nfs/dbraw/zinc/68/61/33/582686133.db2.gz DWSZDARGLWRKOH-UHFFFAOYSA-N 0 0 184.264 2.294 10 30 AEEERN CCCON=Cc1ccc(C)nc1 842552544 582686275 /nfs/dbraw/zinc/68/62/75/582686275.db2.gz DRTCMWKMKLUUFM-UHFFFAOYSA-N 0 0 178.235 2.151 10 30 AEEERN C[C@@H](C#N)COC(=O)[C@H]1CC=CCC1 770939218 582686279 /nfs/dbraw/zinc/68/62/79/582686279.db2.gz YRDLMXOQAKGQGF-UWVGGRQHSA-N 0 0 193.246 2.046 10 30 AEEERN CCC1(C(=O)OC[C@H](C)C#N)CCC1 770940600 582686389 /nfs/dbraw/zinc/68/63/89/582686389.db2.gz CQIWNPRGGJHWRN-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](C#N)COC(=O)[C@H]1CC=CCC1 770939226 582686395 /nfs/dbraw/zinc/68/63/95/582686395.db2.gz YRDLMXOQAKGQGF-ZJUUUORDSA-N 0 0 193.246 2.046 10 30 AEEERN C[C@H](C#N)COC(=O)[C@@H]1CC=CCC1 770939212 582686507 /nfs/dbraw/zinc/68/65/07/582686507.db2.gz YRDLMXOQAKGQGF-NXEZZACHSA-N 0 0 193.246 2.046 10 30 AEEERN C#CCC1(OC(=O)C2CCC2)CCC1 788075718 582687425 /nfs/dbraw/zinc/68/74/25/582687425.db2.gz XDCBEXJMAXIHQP-UHFFFAOYSA-N 0 0 192.258 2.276 10 30 AEEERN CS[C@@H]1CCC1=NOCC(F)F 819812756 582688958 /nfs/dbraw/zinc/68/89/58/582688958.db2.gz OWOQYIRHUJQQPC-ZCFIWIBFSA-N 0 0 195.234 2.150 10 30 AEEERN CCCON=CC1(C)CCOCC1 842555572 582689067 /nfs/dbraw/zinc/68/90/67/582689067.db2.gz XZGGPPYRJXUJGM-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CS[C@H]1CCC1=NOCC(F)F 819812754 582689102 /nfs/dbraw/zinc/68/91/02/582689102.db2.gz OWOQYIRHUJQQPC-LURJTMIESA-N 0 0 195.234 2.150 10 30 AEEERN CCCON=C(C)c1nccs1 842555484 582689274 /nfs/dbraw/zinc/68/92/74/582689274.db2.gz CDKSGBPENOFOSG-UHFFFAOYSA-N 0 0 184.264 2.294 10 30 AEEERN C#CCC1(OC(=O)C=C(C)C)CCC1 788078932 582689483 /nfs/dbraw/zinc/68/94/83/582689483.db2.gz CBGVCMVUTSEFLS-UHFFFAOYSA-N 0 0 192.258 2.442 10 30 AEEERN C=CCON=C1CC[C@@H]1SC 819814131 582689544 /nfs/dbraw/zinc/68/95/44/582689544.db2.gz WYKIOFNWZWGDJZ-QMMMGPOBSA-N 0 0 171.265 2.070 10 30 AEEERN C=CCON=C1CC[C@H]1SC 819814125 582689583 /nfs/dbraw/zinc/68/95/83/582689583.db2.gz WYKIOFNWZWGDJZ-MRVPVSSYSA-N 0 0 171.265 2.070 10 30 AEEERN CCCON=C1CCO[C@H](CC)C1 842555678 582689920 /nfs/dbraw/zinc/68/99/20/582689920.db2.gz FAXPGDRWMZJMOG-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN CCCON=C(C)CCCOC 842555709 582689981 /nfs/dbraw/zinc/68/99/81/582689981.db2.gz FFVOLWCMKNGUMN-UHFFFAOYSA-N 0 0 173.256 2.216 10 30 AEEERN CCCON=C1CCO[C@@H](CC)C1 842555676 582690037 /nfs/dbraw/zinc/69/00/37/582690037.db2.gz FAXPGDRWMZJMOG-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN CON=C1CC(C(C)C)C1 142132382 582690531 /nfs/dbraw/zinc/69/05/31/582690531.db2.gz LWKJJKYNRNCPNO-UHFFFAOYSA-N 0 0 141.214 2.055 10 30 AEEERN CC#CC(=O)N1CCC[C@@H]1CC(C)C 113768591 582692455 /nfs/dbraw/zinc/69/24/55/582692455.db2.gz BLHJWGVNMPQXDY-LLVKDONJSA-N 0 0 193.290 2.047 10 30 AEEERN N#CC[C@@H]1C[C@@H]2CCC[C@H]12 261022509 582696316 /nfs/dbraw/zinc/69/63/16/582696316.db2.gz YPKRBAXWOOTSSX-YIZRAAEISA-N 0 0 135.210 2.336 10 30 AEEERN CCCCCOC(=O)C1(C#N)CCC1 736841533 582693936 /nfs/dbraw/zinc/69/39/36/582693936.db2.gz FRPZUJMLJJZGAO-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C=CCCCOC(=O)C1(C#N)CCC1 736838777 582694224 /nfs/dbraw/zinc/69/42/24/582694224.db2.gz GURLAQSKZNQVFF-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C#CCC1(OC(=O)CCC=C)CCC1 788079884 582694904 /nfs/dbraw/zinc/69/49/04/582694904.db2.gz KAYBNIOUQBGTAZ-UHFFFAOYSA-N 0 0 192.258 2.442 10 30 AEEERN CCCCn1c(C#N)nc(C)c1C 603348057 582695034 /nfs/dbraw/zinc/69/50/34/582695034.db2.gz AVIHQPRTTNQBEK-UHFFFAOYSA-N 0 0 177.251 2.172 10 30 AEEERN Cc1nc(C#N)n(CCC2CC2)c1C 603348733 582695064 /nfs/dbraw/zinc/69/50/64/582695064.db2.gz QIGRLVQUCKQISE-UHFFFAOYSA-N 0 0 189.262 2.172 10 30 AEEERN Cc1cc(C)c2oc(C#N)nc2c1 260775739 582696113 /nfs/dbraw/zinc/69/61/13/582696113.db2.gz OFPROJRMUNLUBU-UHFFFAOYSA-N 0 0 172.187 2.316 10 30 AEEERN N#CC[C@@H]1C[C@H]2CCC[C@@H]12 261022508 582696274 /nfs/dbraw/zinc/69/62/74/582696274.db2.gz YPKRBAXWOOTSSX-IWSPIJDZSA-N 0 0 135.210 2.336 10 30 AEEERN N#CC[C@@H]1C[C@@H]2CCC[C@@H]12 261022504 582696350 /nfs/dbraw/zinc/69/63/50/582696350.db2.gz YPKRBAXWOOTSSX-DJLDLDEBSA-N 0 0 135.210 2.336 10 30 AEEERN N#CC[C@@H]1C[C@H]2CCC[C@H]12 261022506 582696497 /nfs/dbraw/zinc/69/64/97/582696497.db2.gz YPKRBAXWOOTSSX-HLTSFMKQSA-N 0 0 135.210 2.336 10 30 AEEERN C=C(C)CCn1ccnc1CC 168005052 582706683 /nfs/dbraw/zinc/70/66/83/582706683.db2.gz DLPOPAZUBCITKU-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN C=CCc1cccc(NC)c1 231528763 582708139 /nfs/dbraw/zinc/70/81/39/582708139.db2.gz FRTVHTBAJQWVAP-UHFFFAOYSA-N 0 0 147.221 2.457 10 30 AEEERN Cn1cccc1C=NOC1CCCC1 774602298 582709937 /nfs/dbraw/zinc/70/99/37/582709937.db2.gz HKFBYUVELQVBBU-UHFFFAOYSA-N 0 0 192.262 2.318 10 30 AEEERN CCc1ccccc1C[C@@H]1CO1 198722044 582714501 /nfs/dbraw/zinc/71/45/01/582714501.db2.gz BSGZGFZOVRAOPH-LLVKDONJSA-N 0 0 162.232 2.190 10 30 AEEERN CCc1ccccc1C[C@H]1CO1 198722060 582714713 /nfs/dbraw/zinc/71/47/13/582714713.db2.gz BSGZGFZOVRAOPH-NSHDSACASA-N 0 0 162.232 2.190 10 30 AEEERN Cc1sccc1C(=O)O[C@H](C)C#N 838104793 582716600 /nfs/dbraw/zinc/71/66/00/582716600.db2.gz HGOAMWSPAOYPMI-ZCFIWIBFSA-N 0 0 195.243 2.125 10 30 AEEERN CC#CCCOC(=O)C(C)=C1CCC1 838235136 582717059 /nfs/dbraw/zinc/71/70/59/582717059.db2.gz DKNUFUQEIUEXJO-UHFFFAOYSA-N 0 0 192.258 2.443 10 30 AEEERN Cc1sccc1C(=O)O[C@@H](C)C#N 838104792 582717073 /nfs/dbraw/zinc/71/70/73/582717073.db2.gz HGOAMWSPAOYPMI-LURJTMIESA-N 0 0 195.243 2.125 10 30 AEEERN C[C@@H]1CC[C@@H](OC(=O)C#CC2CC2)C1 838365903 582718197 /nfs/dbraw/zinc/71/81/97/582718197.db2.gz AESCJCHXHPGDAR-MWLCHTKSSA-N 0 0 192.258 2.132 10 30 AEEERN CCC[C@H](C)OC(=O)C#CC1CC1 838367311 582718233 /nfs/dbraw/zinc/71/82/33/582718233.db2.gz HJFVXPXXAOQQAB-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN CC(C)C[C@H](C)OC(=O)C#CC1CC1 838365952 582718322 /nfs/dbraw/zinc/71/83/22/582718322.db2.gz BCBQHSWSGRIHDQ-JTQLQIEISA-N 0 0 194.274 2.378 10 30 AEEERN N#CCOC(=O)C1(C2CCC2)CCC1 838336936 582718371 /nfs/dbraw/zinc/71/83/71/582718371.db2.gz WOZMCGVLQSMXEH-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN CC(C)C[C@@H](C)OC(=O)C#CC1CC1 838365953 582718396 /nfs/dbraw/zinc/71/83/96/582718396.db2.gz BCBQHSWSGRIHDQ-SNVBAGLBSA-N 0 0 194.274 2.378 10 30 AEEERN C[C@H]1CC[C@@H](OC(=O)C#CC2CC2)C1 838365901 582718416 /nfs/dbraw/zinc/71/84/16/582718416.db2.gz AESCJCHXHPGDAR-GXSJLCMTSA-N 0 0 192.258 2.132 10 30 AEEERN C#CCCCOC(=O)[C@@H](C)C1CCC1 838383682 582718422 /nfs/dbraw/zinc/71/84/22/582718422.db2.gz CVJUSGPVJLPHAL-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN CCCCCOC(=O)C#CC1CC1 838366499 582718428 /nfs/dbraw/zinc/71/84/28/582718428.db2.gz FNWBSTXMSTXDMT-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN CC(C)(C)CCOC(=O)C#CC1CC1 838366025 582718604 /nfs/dbraw/zinc/71/86/04/582718604.db2.gz FBFFVXHFKZXTNQ-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCOC(=O)[C@H](C)C1CCC1 838383685 582718637 /nfs/dbraw/zinc/71/86/37/582718637.db2.gz CVJUSGPVJLPHAL-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN O=C(C#CC1CC1)OCC1CCCC1 838366564 582718645 /nfs/dbraw/zinc/71/86/45/582718645.db2.gz GUGMVJHFQUXMPI-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C/C=C(\C)COC(=O)CC(C)(C)C#N 842843298 582719808 /nfs/dbraw/zinc/71/98/08/582719808.db2.gz ABMJTLKMIWNTQN-WEVVVXLNSA-N 0 0 195.262 2.436 10 30 AEEERN O=C(C#CC1CC1)OCCCCCF 838366026 582718724 /nfs/dbraw/zinc/71/87/24/582718724.db2.gz FBSMIWVDQIPODT-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN CCC[C@@H](C)OC(=O)C#CC1CC1 838367310 582718730 /nfs/dbraw/zinc/71/87/30/582718730.db2.gz HJFVXPXXAOQQAB-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C[C@H]1CC[C@H](OC(=O)C#CC2CC2)C1 838365904 582718747 /nfs/dbraw/zinc/71/87/47/582718747.db2.gz AESCJCHXHPGDAR-ONGXEEELSA-N 0 0 192.258 2.132 10 30 AEEERN CC(C)COC(=O)C#CC(C)(C)C 838373318 582718777 /nfs/dbraw/zinc/71/87/77/582718777.db2.gz GQJXZAHVJRAYRQ-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN C[C@@H]1CC[C@H](OC(=O)C#CC2CC2)C1 838365902 582718860 /nfs/dbraw/zinc/71/88/60/582718860.db2.gz AESCJCHXHPGDAR-KOLCDFICSA-N 0 0 192.258 2.132 10 30 AEEERN C/C=C(/C)COC(=O)CC(C)(C)C#N 842843297 582719290 /nfs/dbraw/zinc/71/92/90/582719290.db2.gz ABMJTLKMIWNTQN-UITAMQMPSA-N 0 0 195.262 2.436 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@@H]1CC1(C)C 839036224 582724710 /nfs/dbraw/zinc/72/47/10/582724710.db2.gz ALZHEARXRCWEDG-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@H](C)OC(=O)/C=C\SC 839036415 582724712 /nfs/dbraw/zinc/72/47/12/582724712.db2.gz BSWJICAUACEEDV-FUOZMLNRSA-N 0 0 198.287 2.208 10 30 AEEERN C[C@@H](C(=O)OC(C)(C)C#N)C1CCC1 838816403 582722035 /nfs/dbraw/zinc/72/20/35/582722035.db2.gz DUSYZZZPNQNTBK-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](C(=O)OC(C)(C)C#N)C1CCC1 838816404 582722528 /nfs/dbraw/zinc/72/25/28/582722528.db2.gz DUSYZZZPNQNTBK-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCC[C@H](C)OC(=O)/C=C/SC 839036414 582724338 /nfs/dbraw/zinc/72/43/38/582724338.db2.gz BSWJICAUACEEDV-FLOXNTQESA-N 0 0 198.287 2.208 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@H](C)C1CC1 839036468 582724345 /nfs/dbraw/zinc/72/43/45/582724345.db2.gz CXDXIVOALYXNCX-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)/C=C/C1CC1 839038916 582724269 /nfs/dbraw/zinc/72/42/69/582724269.db2.gz LMOFPKSQKWDJTG-AAXQSMANSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@@H]1CC1(C)C 839036229 582724277 /nfs/dbraw/zinc/72/42/77/582724277.db2.gz ALZHEARXRCWEDG-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@H](C)OC(=O)/C=C/C1CC1 839038918 582724310 /nfs/dbraw/zinc/72/43/10/582724310.db2.gz LMOFPKSQKWDJTG-DDXVTDLHSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCC[C@H](C)OC(=O)/C=C\C1CC1 839038922 582724360 /nfs/dbraw/zinc/72/43/60/582724360.db2.gz LMOFPKSQKWDJTG-QROTZFDESA-N 0 0 192.258 2.298 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@H]1CC1(C)C 839036221 582724362 /nfs/dbraw/zinc/72/43/62/582724362.db2.gz ALZHEARXRCWEDG-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@H](C)C1CC1 839036466 582724375 /nfs/dbraw/zinc/72/43/75/582724375.db2.gz CXDXIVOALYXNCX-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@H](C)OC(=O)C=C1CCC1 839036506 582724379 /nfs/dbraw/zinc/72/43/79/582724379.db2.gz DTELQCIVSXILKB-JTQLQIEISA-N 0 0 192.258 2.442 10 30 AEEERN C#CCC[C@@H](C)OC(=O)/C=C\SC 839036416 582724446 /nfs/dbraw/zinc/72/44/46/582724446.db2.gz BSWJICAUACEEDV-UFGYOYAJSA-N 0 0 198.287 2.208 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@H]1CC1(C)C 839036227 582724496 /nfs/dbraw/zinc/72/44/96/582724496.db2.gz ALZHEARXRCWEDG-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@@H](C)C1CC1 839036469 582724518 /nfs/dbraw/zinc/72/45/18/582724518.db2.gz CXDXIVOALYXNCX-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)/C=C\C1CC1 839038920 582724544 /nfs/dbraw/zinc/72/45/44/582724544.db2.gz LMOFPKSQKWDJTG-HSTULFTRSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1CC 839040740 582724605 /nfs/dbraw/zinc/72/46/05/582724605.db2.gz RDSLSZZAGSPPFD-HBNTYKKESA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)/C=C/SC 839036413 582724631 /nfs/dbraw/zinc/72/46/31/582724631.db2.gz BSWJICAUACEEDV-FCZSHJHJSA-N 0 0 198.287 2.208 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1CC 839040736 582724653 /nfs/dbraw/zinc/72/46/53/582724653.db2.gz RDSLSZZAGSPPFD-GMTAPVOTSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)C=C1CCC1 839036507 582724657 /nfs/dbraw/zinc/72/46/57/582724657.db2.gz DTELQCIVSXILKB-SNVBAGLBSA-N 0 0 192.258 2.442 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@@H](C)C1CC1 839036467 582724715 /nfs/dbraw/zinc/72/47/15/582724715.db2.gz CXDXIVOALYXNCX-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@@H](C)CC 839033647 582724802 /nfs/dbraw/zinc/72/48/02/582724802.db2.gz HCIAGLCNFUKBEE-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN CC(C)C(=O)O[C@@H]1CCCC[C@H]1C#N 839088070 582724809 /nfs/dbraw/zinc/72/48/09/582724809.db2.gz LUOMCNZMBYFYET-VHSXEESVSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C(C)(C)CC=C 839338701 582728548 /nfs/dbraw/zinc/72/85/48/582728548.db2.gz ASGARYGOAFDAOX-JTQLQIEISA-N 0 0 193.290 2.069 10 30 AEEERN C#CCC[C@@H](C)OC(=O)C1CCC1 839031093 582724859 /nfs/dbraw/zinc/72/48/59/582724859.db2.gz BNKSPKFQGFPVBX-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#CCC[C@@H](C)OC(=O)c1ccoc1 839033227 582724931 /nfs/dbraw/zinc/72/49/31/582724931.db2.gz BMDRHZXPUHJQLO-SECBINFHSA-N 0 0 192.214 2.238 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@@H](C)CC 839033645 582725012 /nfs/dbraw/zinc/72/50/12/582725012.db2.gz HCIAGLCNFUKBEE-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1OC(=O)C1CC1 839090272 582725024 /nfs/dbraw/zinc/72/50/24/582725024.db2.gz PLZXLBZUCJOHFU-VHSXEESVSA-N 0 0 193.246 2.022 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@H](C)CC 839033648 582725084 /nfs/dbraw/zinc/72/50/84/582725084.db2.gz HCIAGLCNFUKBEE-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@H](C)CC 839033644 582725165 /nfs/dbraw/zinc/72/51/65/582725165.db2.gz HCIAGLCNFUKBEE-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C#CCC[C@H](C)OC(=O)C1CCC1 839031096 582725204 /nfs/dbraw/zinc/72/52/04/582725204.db2.gz BNKSPKFQGFPVBX-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN CCCC(=O)O[C@@H]1CCCC[C@H]1C#N 839089073 582725371 /nfs/dbraw/zinc/72/53/71/582725371.db2.gz YQMMDRVXIZABMS-VHSXEESVSA-N 0 0 195.262 2.412 10 30 AEEERN C#CCC[C@H](C)OC(=O)c1ccoc1 839033229 582725570 /nfs/dbraw/zinc/72/55/70/582725570.db2.gz BMDRHZXPUHJQLO-VIFPVBQESA-N 0 0 192.214 2.238 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)OC1(CC#N)CCC1 788133954 582725936 /nfs/dbraw/zinc/72/59/36/582725936.db2.gz PFICOUKGUCJABA-IUCAKERBSA-N 0 0 193.246 2.022 10 30 AEEERN N#CCC1(OC(=O)CC2CC2)CCC1 788133469 582726031 /nfs/dbraw/zinc/72/60/31/582726031.db2.gz KOAKIVDQTRZYEO-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN C[C@H]1C[C@H]1C(=O)OC1(CC#N)CCC1 788133953 582726230 /nfs/dbraw/zinc/72/62/30/582726230.db2.gz PFICOUKGUCJABA-DTWKUNHWSA-N 0 0 193.246 2.022 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)OC1(CC#N)CCC1 788133955 582726334 /nfs/dbraw/zinc/72/63/34/582726334.db2.gz PFICOUKGUCJABA-RKDXNWHRSA-N 0 0 193.246 2.022 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)OC1(CC#N)CCC1 788133951 582726673 /nfs/dbraw/zinc/72/66/73/582726673.db2.gz PFICOUKGUCJABA-BDAKNGLRSA-N 0 0 193.246 2.022 10 30 AEEERN C=CCCOC(=O)c1cccc(O)c1 740188045 582727187 /nfs/dbraw/zinc/72/71/87/582727187.db2.gz CNPPMZLTFIAQDY-UHFFFAOYSA-N 0 0 192.214 2.125 10 30 AEEERN C#CCN1Cc2ccc(Cl)cc2C1 839194299 582727379 /nfs/dbraw/zinc/72/73/79/582727379.db2.gz KHWQKELLZJKYAW-UHFFFAOYSA-N 0 0 191.661 2.289 10 30 AEEERN C#CCC(C)(C)C(=O)N1CC[C@H]1CC 839379512 582728520 /nfs/dbraw/zinc/72/85/20/582728520.db2.gz OKHZLQPLPDQWGR-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C(C)(C)CC=C 839338702 582728491 /nfs/dbraw/zinc/72/84/91/582728491.db2.gz ASGARYGOAFDAOX-SNVBAGLBSA-N 0 0 193.290 2.069 10 30 AEEERN C#CCC(C)(C)C(=O)N1CC[C@@H]1CC 839379511 582728742 /nfs/dbraw/zinc/72/87/42/582728742.db2.gz OKHZLQPLPDQWGR-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN C=CCOC(=O)CC(C)(C)CC(C)=O 788140607 582728955 /nfs/dbraw/zinc/72/89/55/582728955.db2.gz HQRBJXOOQUFJOE-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN CC[C@@H](C)C(=O)OC1(CC#N)CCC1 788145558 582729039 /nfs/dbraw/zinc/72/90/39/582729039.db2.gz TWXZRNYVVJVIBL-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C=CCCC(=O)OC1(CC#N)CCC1 788144593 582729185 /nfs/dbraw/zinc/72/91/85/582729185.db2.gz HATGTIUWWBYJLZ-UHFFFAOYSA-N 0 0 193.246 2.332 10 30 AEEERN N#CCC1(OC(=O)C2CCC2)CCC1 788145562 582729300 /nfs/dbraw/zinc/72/93/00/582729300.db2.gz TYQRADQDMUWBJB-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN CC[C@H](C)C(=O)OC1(CC#N)CCC1 788145560 582729363 /nfs/dbraw/zinc/72/93/63/582729363.db2.gz TWXZRNYVVJVIBL-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CC(C)=CC(=O)OC1(CC#N)CCC1 788145276 582729364 /nfs/dbraw/zinc/72/93/64/582729364.db2.gz PXBNUNCUJLDSNV-UHFFFAOYSA-N 0 0 193.246 2.332 10 30 AEEERN CC(C)CC(=O)OC1(CC#N)CCC1 788145285 582729654 /nfs/dbraw/zinc/72/96/54/582729654.db2.gz QDPQESCQPHIMGK-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN CCC(=NOC)c1cccc(OC)c1 740760663 582730316 /nfs/dbraw/zinc/73/03/16/582730316.db2.gz IDJISORFIRLHER-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN CON=Cc1nccc2ccccc12 740760502 582730856 /nfs/dbraw/zinc/73/08/56/582730856.db2.gz FJOQEFKBNYLESK-UHFFFAOYSA-N 0 0 186.214 2.215 10 30 AEEERN C#Cc1cccc(N(C)CC#CC)c1 741782056 582732591 /nfs/dbraw/zinc/73/25/91/582732591.db2.gz FVUGSUBTBVWDFJ-UHFFFAOYSA-N 0 0 183.254 2.127 10 30 AEEERN C=CCN(CC=C)C(=O)/C=C\C1CC1 742466321 582734394 /nfs/dbraw/zinc/73/43/94/582734394.db2.gz WWKZZKDEEHPAHQ-FPLPWBNLSA-N 0 0 191.274 2.153 10 30 AEEERN C=C1CCN(C(=O)/C=C/C2CC2)CC1 742642074 582734993 /nfs/dbraw/zinc/73/49/93/582734993.db2.gz NICBKPVQOCWSQT-SNAWJCMRSA-N 0 0 191.274 2.131 10 30 AEEERN C=CCN(C(=O)/C=C/C1CC1)C(C)C 742634118 582735000 /nfs/dbraw/zinc/73/50/00/582735000.db2.gz WBJIBPCVIDSFTE-BQYQJAHWSA-N 0 0 193.290 2.376 10 30 AEEERN C=C1CCN(C(=O)/C=C\C2CC2)CC1 742642073 582735381 /nfs/dbraw/zinc/73/53/81/582735381.db2.gz NICBKPVQOCWSQT-PLNGDYQASA-N 0 0 191.274 2.131 10 30 AEEERN C=C(C)CN(CC)C(=O)/C=C/C1CC1 742532025 582735461 /nfs/dbraw/zinc/73/54/61/582735461.db2.gz HMJZTFLZPIJLMO-BQYQJAHWSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(C)CN(CC)C(=O)/C=C\C1CC1 742532027 582735558 /nfs/dbraw/zinc/73/55/58/582735558.db2.gz HMJZTFLZPIJLMO-FPLPWBNLSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCN(C(=O)/C=C\C1CC1)C(C)C 742634119 582735586 /nfs/dbraw/zinc/73/55/86/582735586.db2.gz WBJIBPCVIDSFTE-FPLPWBNLSA-N 0 0 193.290 2.376 10 30 AEEERN C=CCCCN(C)C(=O)/C=C\C1CC1 742691995 582735912 /nfs/dbraw/zinc/73/59/12/582735912.db2.gz ACIJRCIWBMNFBO-HJWRWDBZSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCCCN(C)C(=O)/C=C/C1CC1 742691994 582735936 /nfs/dbraw/zinc/73/59/36/582735936.db2.gz ACIJRCIWBMNFBO-CMDGGOBGSA-N 0 0 193.290 2.377 10 30 AEEERN C#CCCCNC(=O)/C=C(\C)CCC 742785694 582736186 /nfs/dbraw/zinc/73/61/86/582736186.db2.gz HMQIGQPULWASHO-ZHACJKMWSA-N 0 0 193.290 2.262 10 30 AEEERN C#CCCNC(=O)/C=C(\C)C(C)(C)C 742674751 582736232 /nfs/dbraw/zinc/73/62/32/582736232.db2.gz CHIYRYXZQKTCEP-MDZDMXLPSA-N 0 0 193.290 2.118 10 30 AEEERN C#CCCCNC(=O)/C=C/C(C)(C)C 742787953 582736257 /nfs/dbraw/zinc/73/62/57/582736257.db2.gz CGUYXZFLWFHPKS-CMDGGOBGSA-N 0 0 193.290 2.118 10 30 AEEERN C#CCCNC(=O)/C=C(/C)C(C)(C)C 742674750 582736265 /nfs/dbraw/zinc/73/62/65/582736265.db2.gz CHIYRYXZQKTCEP-KTKRTIGZSA-N 0 0 193.290 2.118 10 30 AEEERN C#CCCCNC(=O)/C=C(/C)CCC 742785693 582736489 /nfs/dbraw/zinc/73/64/89/582736489.db2.gz HMQIGQPULWASHO-KHPPLWFESA-N 0 0 193.290 2.262 10 30 AEEERN C#CCCCNC(=O)/C=C\C(C)(C)C 742787954 582736568 /nfs/dbraw/zinc/73/65/68/582736568.db2.gz CGUYXZFLWFHPKS-HJWRWDBZSA-N 0 0 193.290 2.118 10 30 AEEERN C#CCN(CC#CC)Cc1ccccc1 743852500 582738279 /nfs/dbraw/zinc/73/82/79/582738279.db2.gz SYDLULXPYQQGBW-UHFFFAOYSA-N 0 0 197.281 2.145 10 30 AEEERN CCOc1cccc(C(C)=NOC)c1 743531113 582738736 /nfs/dbraw/zinc/73/87/36/582738736.db2.gz FRQBUFKVKRYOIS-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN C=CCOC(=O)[C@@H]1Cc2ccccc21 744042093 582738935 /nfs/dbraw/zinc/73/89/35/582738935.db2.gz HCZPRMWOMHJBJG-LLVKDONJSA-N 0 0 188.226 2.056 10 30 AEEERN C=CCOC(=O)[C@H]1Cc2ccccc21 744042094 582738956 /nfs/dbraw/zinc/73/89/56/582738956.db2.gz HCZPRMWOMHJBJG-NSHDSACASA-N 0 0 188.226 2.056 10 30 AEEERN C=CCCOC(=O)CCCOCC=C 744049023 582739520 /nfs/dbraw/zinc/73/95/20/582739520.db2.gz GPRBOYDIIRFMGT-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN N#CC1(C(=O)OCC2CCC2)CCC1 744199111 582739926 /nfs/dbraw/zinc/73/99/26/582739926.db2.gz HICMULQFBOMKEO-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCC[C@H](C)C1 744179704 582739946 /nfs/dbraw/zinc/73/99/46/582739946.db2.gz KSTYCJYDCDJAHR-GARJFASQSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)c1ccccc1C 744180225 582739959 /nfs/dbraw/zinc/73/99/59/582739959.db2.gz HTDXUFKIBLKFHJ-SNVBAGLBSA-N 0 0 188.226 2.174 10 30 AEEERN C=C(C)CCOC(=O)C1=COCCC1 744303767 582739977 /nfs/dbraw/zinc/73/99/77/582739977.db2.gz VBQNIFBWNAYGPW-UHFFFAOYSA-N 0 0 196.246 2.190 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C)C1 744179706 582740071 /nfs/dbraw/zinc/74/00/71/582740071.db2.gz KSTYCJYDCDJAHR-OUAUKWLOSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCC[C@H](C)C1 744179703 582740232 /nfs/dbraw/zinc/74/02/32/582740232.db2.gz KSTYCJYDCDJAHR-DCAQKATOSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)c1cc(C)oc1C 744178111 582740253 /nfs/dbraw/zinc/74/02/53/582740253.db2.gz KRFQNJPIURAZJN-SSDOTTSWSA-N 0 0 192.214 2.075 10 30 AEEERN N#CCCCCOC(=O)/C=C/C1CC1 744141542 582740356 /nfs/dbraw/zinc/74/03/56/582740356.db2.gz WYIMBXGDLBSVTJ-VOTSOKGWSA-N 0 0 193.246 2.190 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCC[C@@H](C)C1 744179707 582740367 /nfs/dbraw/zinc/74/03/67/582740367.db2.gz KSTYCJYDCDJAHR-VWYCJHECSA-N 0 0 194.274 2.378 10 30 AEEERN N#CCCCCOC(=O)CC1CCC1 744139055 582740603 /nfs/dbraw/zinc/74/06/03/582740603.db2.gz HZQSOUKLBXQUAT-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C#C[C@H](C)OC(=O)c1ccccc1C 744180223 582740615 /nfs/dbraw/zinc/74/06/15/582740615.db2.gz HTDXUFKIBLKFHJ-JTQLQIEISA-N 0 0 188.226 2.174 10 30 AEEERN N#CCCCCOC(=O)/C=C\C1CC1 744141541 582740683 /nfs/dbraw/zinc/74/06/83/582740683.db2.gz WYIMBXGDLBSVTJ-SREVYHEPSA-N 0 0 193.246 2.190 10 30 AEEERN C#C[C@H](C)OC(=O)c1cc(C)oc1C 744178112 582740711 /nfs/dbraw/zinc/74/07/11/582740711.db2.gz KRFQNJPIURAZJN-ZETCQYMHSA-N 0 0 192.214 2.075 10 30 AEEERN CC#CCOC(=O)c1cc(C)oc1C 744462220 582740928 /nfs/dbraw/zinc/74/09/28/582740928.db2.gz HTUTXMOAYNLQRG-UHFFFAOYSA-N 0 0 192.214 2.077 10 30 AEEERN C=CCCC(=O)OCC1(CC#N)CC1 744275987 582741167 /nfs/dbraw/zinc/74/11/67/582741167.db2.gz FVTCSEAGPXGZBA-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCOCC(=O)OCCC(=C)C 744304595 582741675 /nfs/dbraw/zinc/74/16/75/582741675.db2.gz ZVBNXFMUIGFPRA-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN CC#CCOC(=O)C=C1CCCCC1 744853327 582742047 /nfs/dbraw/zinc/74/20/47/582742047.db2.gz AWHWROUJPVYTEB-UHFFFAOYSA-N 0 0 192.258 2.443 10 30 AEEERN CC#CCOC(=O)c1ccccc1C 744480662 582742279 /nfs/dbraw/zinc/74/22/79/582742279.db2.gz AUFCKRSTSXLXGI-UHFFFAOYSA-N 0 0 188.226 2.175 10 30 AEEERN CC#CCOC(=O)[C@H]1CCC[C@H](C)C1 745155945 582743068 /nfs/dbraw/zinc/74/30/68/582743068.db2.gz ALSLTLWNWDZOOQ-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCC[C@@H](C)C1 745155943 582743512 /nfs/dbraw/zinc/74/35/12/582743512.db2.gz ALSLTLWNWDZOOQ-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C=CCCOC(=O)c1cncc(C)c1 745505015 582743709 /nfs/dbraw/zinc/74/37/09/582743709.db2.gz BCUUBFIEVIWSHR-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN N#CCOC(=O)C1CCCCCCC1 745122451 582743944 /nfs/dbraw/zinc/74/39/44/582743944.db2.gz BWFMCZNGCVXYQQ-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN CCC(C)=NN=C(C)c1cnccn1 745206358 582743949 /nfs/dbraw/zinc/74/39/49/582743949.db2.gz AFRUTHXTLYAQOA-UHFFFAOYSA-N 0 0 190.250 2.072 10 30 AEEERN CC#CCOC(=O)[C@H]1CCC[C@@H](C)C1 745155944 582743955 /nfs/dbraw/zinc/74/39/55/582743955.db2.gz ALSLTLWNWDZOOQ-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCC[C@H](C)C1 745155946 582743982 /nfs/dbraw/zinc/74/39/82/582743982.db2.gz ALSLTLWNWDZOOQ-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@H](C#N)OC(=O)C1C(C)(C)C1(C)C 746082183 582744133 /nfs/dbraw/zinc/74/41/33/582744133.db2.gz CTSGSROQVCBVNE-SSDOTTSWSA-N 0 0 195.262 2.124 10 30 AEEERN C[C@@H](C#N)OC(=O)C1C(C)(C)C1(C)C 746082185 582744141 /nfs/dbraw/zinc/74/41/41/582744141.db2.gz CTSGSROQVCBVNE-ZETCQYMHSA-N 0 0 195.262 2.124 10 30 AEEERN C/C(=C\C(=O)O[C@@H](C)C#N)C(C)(C)C 745597879 582744215 /nfs/dbraw/zinc/74/42/15/582744215.db2.gz BPDYRLPCKCCQNW-ORZBULNSSA-N 0 0 195.262 2.434 10 30 AEEERN C/C(=C\C(=O)O[C@H](C)C#N)C(C)(C)C 745597877 582744339 /nfs/dbraw/zinc/74/43/39/582744339.db2.gz BPDYRLPCKCCQNW-BNICOGTQSA-N 0 0 195.262 2.434 10 30 AEEERN C/C(=C/C(=O)O[C@@H](C)C#N)C(C)(C)C 745597880 582744598 /nfs/dbraw/zinc/74/45/98/582744598.db2.gz BPDYRLPCKCCQNW-XZLDQRQTSA-N 0 0 195.262 2.434 10 30 AEEERN N#CCOC(=O)CCCC1CCCC1 745601788 582744758 /nfs/dbraw/zinc/74/47/58/582744758.db2.gz HLPZSTYMTDKVDU-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C/C(=C/C(=O)O[C@H](C)C#N)C(C)(C)C 745597878 582744896 /nfs/dbraw/zinc/74/48/96/582744896.db2.gz BPDYRLPCKCCQNW-JGAIRUGNSA-N 0 0 195.262 2.434 10 30 AEEERN CC#CCOC(=O)C1C(C)(C)C1(C)C 746082486 582744977 /nfs/dbraw/zinc/74/49/77/582744977.db2.gz IECVYELUDUPWKV-UHFFFAOYSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCN(CC)Cc1ccccc1F 746139278 582745228 /nfs/dbraw/zinc/74/52/28/582745228.db2.gz HETSOEGZTKGFMX-UHFFFAOYSA-N 0 0 191.249 2.281 10 30 AEEERN CCON=C(C)c1cnn(C(C)C)c1 746681497 582747637 /nfs/dbraw/zinc/74/76/37/582747637.db2.gz CQIUZPHEJIVJQE-UHFFFAOYSA-N 0 0 195.266 2.225 10 30 AEEERN C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(C)C 747192729 582747926 /nfs/dbraw/zinc/74/79/26/582747926.db2.gz PMQIDBQOTFQFJL-AXFHLTTASA-N 0 0 194.274 2.234 10 30 AEEERN C#CC[C@@H](OC(=O)C1CCC1)C(C)C 747195622 582747965 /nfs/dbraw/zinc/74/79/65/582747965.db2.gz HUGNGWCAXZNEMM-LLVKDONJSA-N 0 0 194.274 2.378 10 30 AEEERN CC1=C(C(=O)OC[C@H](C)C#N)CCC1 747258967 582747977 /nfs/dbraw/zinc/74/79/77/582747977.db2.gz OUSBAKWHTDCSHM-MRVPVSSYSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCCOC(=O)c1cccnc1 747140039 582748010 /nfs/dbraw/zinc/74/80/10/582748010.db2.gz SNVCMEJQDYCJSU-UHFFFAOYSA-N 0 0 191.230 2.205 10 30 AEEERN C=CCOC(=O)CCc1ccc(C)o1 747033938 582748018 /nfs/dbraw/zinc/74/80/18/582748018.db2.gz AUYLQFWNBQMOPE-UHFFFAOYSA-N 0 0 194.230 2.250 10 30 AEEERN CC[C@H](C#N)OC(=O)C1=C(C)CCC1 747245761 582748028 /nfs/dbraw/zinc/74/80/28/582748028.db2.gz HWVYIFSIYKQEPP-SECBINFHSA-N 0 0 193.246 2.332 10 30 AEEERN CC[C@@H](C#N)OC(=O)C1=C(C)CCC1 747245763 582748078 /nfs/dbraw/zinc/74/80/78/582748078.db2.gz HWVYIFSIYKQEPP-VIFPVBQESA-N 0 0 193.246 2.332 10 30 AEEERN C#C[C@H](C)OC(=O)C1C(C)(C)C1(C)C 747121480 582748099 /nfs/dbraw/zinc/74/80/99/582748099.db2.gz FITFRBQJJZIDNR-QMMMGPOBSA-N 0 0 194.274 2.234 10 30 AEEERN C#CC[C@H](OC(=O)[C@H]1C[C@@H]1C)C(C)C 747192730 582748292 /nfs/dbraw/zinc/74/82/92/582748292.db2.gz PMQIDBQOTFQFJL-DCAQKATOSA-N 0 0 194.274 2.234 10 30 AEEERN C#CC[C@H](OC(=O)C1CCC1)C(C)C 747195624 582748344 /nfs/dbraw/zinc/74/83/44/582748344.db2.gz HUGNGWCAXZNEMM-NSHDSACASA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@@H](OC(=O)CC1CC1)C(C)C 747193027 582748350 /nfs/dbraw/zinc/74/83/50/582748350.db2.gz AZNICPOCIRVUHD-LLVKDONJSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@H](OC(=O)CC1CC1)C(C)C 747193029 582748413 /nfs/dbraw/zinc/74/84/13/582748413.db2.gz AZNICPOCIRVUHD-NSHDSACASA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)C1C(C)(C)C1(C)C 747121223 582748477 /nfs/dbraw/zinc/74/84/77/582748477.db2.gz FITFRBQJJZIDNR-MRVPVSSYSA-N 0 0 194.274 2.234 10 30 AEEERN CC1=C(C(=O)OC[C@@H](C)C#N)CCC1 747258968 582748515 /nfs/dbraw/zinc/74/85/15/582748515.db2.gz OUSBAKWHTDCSHM-QMMMGPOBSA-N 0 0 193.246 2.190 10 30 AEEERN C#CCCCOC(=O)C1=C(C)CCC1 747214080 582748561 /nfs/dbraw/zinc/74/85/61/582748561.db2.gz CESMOWTXOIYGBM-UHFFFAOYSA-N 0 0 192.258 2.443 10 30 AEEERN C#CC[C@H](OC(=O)[C@@H]1C[C@H]1C)C(C)C 747192731 582748631 /nfs/dbraw/zinc/74/86/31/582748631.db2.gz PMQIDBQOTFQFJL-MXWKQRLJSA-N 0 0 194.274 2.234 10 30 AEEERN C#CC[C@H](OC(=O)[C@H]1C[C@H]1C)C(C)C 747192732 582748647 /nfs/dbraw/zinc/74/86/47/582748647.db2.gz PMQIDBQOTFQFJL-VWYCJHECSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H]1CC12CCCC2 747484041 582748860 /nfs/dbraw/zinc/74/88/60/582748860.db2.gz KVKXMWAQWYCLHO-NXEZZACHSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CC12CCCC2 747484042 582748943 /nfs/dbraw/zinc/74/89/43/582748943.db2.gz KVKXMWAQWYCLHO-UWVGGRQHSA-N 0 0 192.258 2.132 10 30 AEEERN C=C(Cl)CN1CC[C@@H](C(F)F)C1 839530453 582749221 /nfs/dbraw/zinc/74/92/21/582749221.db2.gz BRZFQYLMNBUHID-SSDOTTSWSA-N 0 0 195.640 2.326 10 30 AEEERN C=C(Cl)CN1CC[C@H](C(F)F)C1 839530454 582749287 /nfs/dbraw/zinc/74/92/87/582749287.db2.gz BRZFQYLMNBUHID-ZETCQYMHSA-N 0 0 195.640 2.326 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H]1CC12CCCC2 747484095 582749318 /nfs/dbraw/zinc/74/93/18/582749318.db2.gz KVKXMWAQWYCLHO-ZJUUUORDSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CC12CCCC2 747484087 582749445 /nfs/dbraw/zinc/74/94/45/582749445.db2.gz KVKXMWAQWYCLHO-VHSXEESVSA-N 0 0 192.258 2.132 10 30 AEEERN CC(C)(C)CC(=O)O[C@H](C#N)C1CC1 747783735 582749882 /nfs/dbraw/zinc/74/98/82/582749882.db2.gz KMCUAKCSYRTOGK-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)CCC(=O)O[C@@H](C#N)C1CC1 747782257 582750034 /nfs/dbraw/zinc/75/00/34/582750034.db2.gz BILRMMXWFNMIQF-JTQLQIEISA-N 0 0 195.262 2.268 10 30 AEEERN N#C[C@@H](OC(=O)C1CCCC1)C1CC1 747786717 582750049 /nfs/dbraw/zinc/75/00/49/582750049.db2.gz ZENPYVMHFIGTCI-SNVBAGLBSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)CCC(=O)O[C@H](C#N)C1CC1 747782268 582750149 /nfs/dbraw/zinc/75/01/49/582750149.db2.gz BILRMMXWFNMIQF-SNVBAGLBSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)(C)CC(=O)O[C@@H](C#N)C1CC1 747783736 582750151 /nfs/dbraw/zinc/75/01/51/582750151.db2.gz KMCUAKCSYRTOGK-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)C1CC=CC1 747743683 582750158 /nfs/dbraw/zinc/75/01/58/582750158.db2.gz PCQHRYFETOKIOV-SNVBAGLBSA-N 0 0 193.246 2.044 10 30 AEEERN CCCCCC(=O)O[C@@H](C#N)C1CC1 747782287 582750198 /nfs/dbraw/zinc/75/01/98/582750198.db2.gz BODQYDYUASWTIR-JTQLQIEISA-N 0 0 195.262 2.412 10 30 AEEERN CCC[C@H](C)C(=O)O[C@H](C#N)C1CC1 747787915 582750240 /nfs/dbraw/zinc/75/02/40/582750240.db2.gz GYEYZJNEKFVNAG-WCBMZHEXSA-N 0 0 195.262 2.268 10 30 AEEERN CCC[C@@H](C)C(=O)O[C@H](C#N)C1CC1 747787913 582750296 /nfs/dbraw/zinc/75/02/96/582750296.db2.gz GYEYZJNEKFVNAG-PSASIEDQSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)C1CC=CC1 747743682 582750312 /nfs/dbraw/zinc/75/03/12/582750312.db2.gz PCQHRYFETOKIOV-JTQLQIEISA-N 0 0 193.246 2.044 10 30 AEEERN C=CCCO[C@H](C)C(=O)OC1CCC1 747772887 582750327 /nfs/dbraw/zinc/75/03/27/582750327.db2.gz PHJYBONCUKMWJF-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN CCC[C@H](C)C(=O)O[C@@H](C#N)C1CC1 747787916 582750338 /nfs/dbraw/zinc/75/03/38/582750338.db2.gz GYEYZJNEKFVNAG-WPRPVWTQSA-N 0 0 195.262 2.268 10 30 AEEERN CCC[C@@H](C)C(=O)O[C@@H](C#N)C1CC1 747787914 582750364 /nfs/dbraw/zinc/75/03/64/582750364.db2.gz GYEYZJNEKFVNAG-SCZZXKLOSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCO[C@@H](C)C(=O)OC1CCC1 747772888 582750383 /nfs/dbraw/zinc/75/03/83/582750383.db2.gz PHJYBONCUKMWJF-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN CCCCCC(=O)O[C@H](C#N)C1CC1 747782295 582750392 /nfs/dbraw/zinc/75/03/92/582750392.db2.gz BODQYDYUASWTIR-SNVBAGLBSA-N 0 0 195.262 2.412 10 30 AEEERN N#C[C@H](OC(=O)C1CCCC1)C1CC1 747786715 582750400 /nfs/dbraw/zinc/75/04/00/582750400.db2.gz ZENPYVMHFIGTCI-JTQLQIEISA-N 0 0 193.246 2.022 10 30 AEEERN C[C@@H](C(=O)OCCCCC#N)C1CC1 748138153 582750939 /nfs/dbraw/zinc/75/09/39/582750939.db2.gz DBVNJACYDYWPNB-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCCOC(=O)c1oc(C)nc1C 748204913 582751224 /nfs/dbraw/zinc/75/12/24/582751224.db2.gz CEYLMCLJOLNCMK-UHFFFAOYSA-N 0 0 195.218 2.024 10 30 AEEERN C[C@H](C(=O)OCCCCC#N)C1CC1 748138154 582751601 /nfs/dbraw/zinc/75/16/01/582751601.db2.gz DBVNJACYDYWPNB-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C=CCCCC(=O)O[C@@H](C)C(=O)CC 748234436 582751907 /nfs/dbraw/zinc/75/19/07/582751907.db2.gz DKFJMOYZLKXTDP-VIFPVBQESA-N 0 0 198.262 2.254 10 30 AEEERN C=CCCCC(=O)OCC(=O)C(C)C 748233615 582751957 /nfs/dbraw/zinc/75/19/57/582751957.db2.gz GJOSOUQTNVLRHC-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN C=CCCCC(=O)OC[C@H]1CCCO1 748223886 582751986 /nfs/dbraw/zinc/75/19/86/582751986.db2.gz DYGAVDJUICPBFJ-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCCC(=O)OC[C@@H]1CCCO1 748223883 582752263 /nfs/dbraw/zinc/75/22/63/582752263.db2.gz DYGAVDJUICPBFJ-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCCC(=O)OCC(=O)CCC 748239015 582752409 /nfs/dbraw/zinc/75/24/09/582752409.db2.gz BPTPXRPMSZRTAK-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C=CCCCC(=O)O[C@H](C)C(=O)CC 748234435 582752421 /nfs/dbraw/zinc/75/24/21/582752421.db2.gz DKFJMOYZLKXTDP-SECBINFHSA-N 0 0 198.262 2.254 10 30 AEEERN C#CCN(CC#C)Cc1cccc(C)c1 752076599 582767035 /nfs/dbraw/zinc/76/70/35/582767035.db2.gz IYFWVEQGDRIXRD-UHFFFAOYSA-N 0 0 197.281 2.063 10 30 AEEERN CC(=NOCC(C)C)c1ccncc1 749635950 582755260 /nfs/dbraw/zinc/75/52/60/582755260.db2.gz AXKFLGXHGSDOSP-UHFFFAOYSA-N 0 0 192.262 2.478 10 30 AEEERN CC#CCOC(=O)[C@@H](C)C1CCCC1 750473372 582757171 /nfs/dbraw/zinc/75/71/71/582757171.db2.gz BKFMDSHQNXQPIF-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C=CCOC(=O)c1ccc(C)cc1F 750425603 582757478 /nfs/dbraw/zinc/75/74/78/582757478.db2.gz HYBJBYCLFDJJLY-UHFFFAOYSA-N 0 0 194.205 2.477 10 30 AEEERN CC(C)(C#N)C(=O)OCC1CC=CC1 750360373 582757626 /nfs/dbraw/zinc/75/76/26/582757626.db2.gz LQPWWNTXKSUBFB-UHFFFAOYSA-N 0 0 193.246 2.046 10 30 AEEERN CC#CCOC(=O)[C@H](C)C1CCCC1 750473373 582757666 /nfs/dbraw/zinc/75/76/66/582757666.db2.gz BKFMDSHQNXQPIF-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H](C)C1CCCC1 750716878 582757996 /nfs/dbraw/zinc/75/79/96/582757996.db2.gz VXGLKNZHJZYGHS-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN CC1(C(=O)OCCCCC#N)CCC1 750534043 582758001 /nfs/dbraw/zinc/75/80/01/582758001.db2.gz HEJAHYRMXUDJPL-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H](C)C1CCCC1 750716882 582758052 /nfs/dbraw/zinc/75/80/52/582758052.db2.gz VXGLKNZHJZYGHS-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)c1oc(C)cc1C 750714874 582758120 /nfs/dbraw/zinc/75/81/20/582758120.db2.gz KXFHTKXOPGYMMM-QMMMGPOBSA-N 0 0 192.214 2.075 10 30 AEEERN C=CCOCCCC(=O)OC1CCC1 750738099 582758184 /nfs/dbraw/zinc/75/81/84/582758184.db2.gz MTVSRTYIYFFGJM-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)C1CCCC1 750716879 582758250 /nfs/dbraw/zinc/75/82/50/582758250.db2.gz VXGLKNZHJZYGHS-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN C[C@@H](CC#N)OC(=O)CCC1CCC1 750708074 582758403 /nfs/dbraw/zinc/75/84/03/582758403.db2.gz MAMVCCBYWDVYDH-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C[C@H](CC#N)OC(=O)CCC1CCC1 750708068 582758650 /nfs/dbraw/zinc/75/86/50/582758650.db2.gz MAMVCCBYWDVYDH-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)C1CCCC1 750716880 582758671 /nfs/dbraw/zinc/75/86/71/582758671.db2.gz VXGLKNZHJZYGHS-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)c1oc(C)cc1C 750714871 582758722 /nfs/dbraw/zinc/75/87/22/582758722.db2.gz KXFHTKXOPGYMMM-MRVPVSSYSA-N 0 0 192.214 2.075 10 30 AEEERN N#CCOC(=O)CC1CCCCCC1 750567314 582758748 /nfs/dbraw/zinc/75/87/48/582758748.db2.gz GDHOANVPJMJRJN-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C#CC[C@H](OC(=O)[C@@H](C)CC)C1CC1 750773144 582759097 /nfs/dbraw/zinc/75/90/97/582759097.db2.gz BSZZKCUDOQUOBH-ONGXEEELSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@@H](OC(=O)[C@@H](C)CC)C1CC1 750773130 582759145 /nfs/dbraw/zinc/75/91/45/582759145.db2.gz BSZZKCUDOQUOBH-GXSJLCMTSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@@H](OC(=O)C=C(C)C)C1CC1 750775207 582759147 /nfs/dbraw/zinc/75/91/47/582759147.db2.gz SERNXFWDIMYGEL-LLVKDONJSA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@H](OC(=O)CC1CC1)C1CC1 750780168 582759148 /nfs/dbraw/zinc/75/91/48/582759148.db2.gz VGAPGOIFOFUERN-NSHDSACASA-N 0 0 192.258 2.132 10 30 AEEERN C#CC[C@H](OC(=O)[C@H](C)CC)C1CC1 750773136 582759155 /nfs/dbraw/zinc/75/91/55/582759155.db2.gz BSZZKCUDOQUOBH-KOLCDFICSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@H](OC(=O)C=C(C)C)C1CC1 750775208 582759267 /nfs/dbraw/zinc/75/92/67/582759267.db2.gz SERNXFWDIMYGEL-NSHDSACASA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@H](OC(=O)C1CCC1)C1CC1 750780469 582759283 /nfs/dbraw/zinc/75/92/83/582759283.db2.gz AJZYVQWWBSXODT-NSHDSACASA-N 0 0 192.258 2.132 10 30 AEEERN C#CC[C@@H](OC(=O)[C@H](C)CC)C1CC1 750773141 582759350 /nfs/dbraw/zinc/75/93/50/582759350.db2.gz BSZZKCUDOQUOBH-MWLCHTKSSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@@H](OC(=O)CCC=C)C1CC1 750774066 582759354 /nfs/dbraw/zinc/75/93/54/582759354.db2.gz JYFDCOAMKPAZHM-LLVKDONJSA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@@H](OC(=O)CC1CC1)C1CC1 750780164 582759452 /nfs/dbraw/zinc/75/94/52/582759452.db2.gz VGAPGOIFOFUERN-LLVKDONJSA-N 0 0 192.258 2.132 10 30 AEEERN C#CC[C@@H](OC(=O)C1CCC1)C1CC1 750780468 582759466 /nfs/dbraw/zinc/75/94/66/582759466.db2.gz AJZYVQWWBSXODT-LLVKDONJSA-N 0 0 192.258 2.132 10 30 AEEERN C#CC[C@@H](OC(=O)CC(C)C)C1CC1 750775732 582759493 /nfs/dbraw/zinc/75/94/93/582759493.db2.gz TVJGMZJVCCPITI-LLVKDONJSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@H](OC(=O)CCC=C)C1CC1 750774067 582759503 /nfs/dbraw/zinc/75/95/03/582759503.db2.gz JYFDCOAMKPAZHM-NSHDSACASA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@H](OC(=O)CC(C)C)C1CC1 750775735 582759634 /nfs/dbraw/zinc/75/96/34/582759634.db2.gz TVJGMZJVCCPITI-NSHDSACASA-N 0 0 194.274 2.378 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)/C=C\C1CC1 751158451 582759809 /nfs/dbraw/zinc/75/98/09/582759809.db2.gz ZODYMQMSLNCDLJ-OMMCCPJFSA-N 0 0 193.246 2.044 10 30 AEEERN CC/C=C(\C)C(=O)O[C@H](C#N)C(C)C 751161743 582759879 /nfs/dbraw/zinc/75/98/79/582759879.db2.gz XGZRNOSPESOZBP-OLKPEBQYSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)[C@@H](C)C1CC1 751157972 582759932 /nfs/dbraw/zinc/75/99/32/582759932.db2.gz QIVBLWRJVZCHGY-WPRPVWTQSA-N 0 0 195.262 2.124 10 30 AEEERN CCC/C=C\C(=O)O[C@@H](C#N)C(C)C 751158373 582759980 /nfs/dbraw/zinc/75/99/80/582759980.db2.gz XWPNXECCXRJEQK-GFVADAIESA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)[C@@H](C)C1CC1 751157971 582759984 /nfs/dbraw/zinc/75/99/84/582759984.db2.gz QIVBLWRJVZCHGY-WCBMZHEXSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)[C@H](C)C(C)C 751157404 582760000 /nfs/dbraw/zinc/76/00/00/582760000.db2.gz KGSHMTBLIGDTSS-NXEZZACHSA-N 0 0 197.278 2.370 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)[C@H](C)C1CC1 751157962 582760004 /nfs/dbraw/zinc/76/00/04/582760004.db2.gz QIVBLWRJVZCHGY-PSASIEDQSA-N 0 0 195.262 2.124 10 30 AEEERN C=CCCCC(=O)O[C@H](C#N)C1CC1 751176441 582760034 /nfs/dbraw/zinc/76/00/34/582760034.db2.gz RRZXMYOZNFPFFW-SNVBAGLBSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)[C@@H](C)C(C)C 751157406 582760038 /nfs/dbraw/zinc/76/00/38/582760038.db2.gz KGSHMTBLIGDTSS-VHSXEESVSA-N 0 0 197.278 2.370 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)[C@H](C)C1CC1 751157970 582760042 /nfs/dbraw/zinc/76/00/42/582760042.db2.gz QIVBLWRJVZCHGY-SCZZXKLOSA-N 0 0 195.262 2.124 10 30 AEEERN N#C[C@@H](OC(=O)CCC1CC1)C1CC1 751176623 582760052 /nfs/dbraw/zinc/76/00/52/582760052.db2.gz FYFOQMFMHWBKAI-SNVBAGLBSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)CCC1CC1 751160148 582760099 /nfs/dbraw/zinc/76/00/99/582760099.db2.gz NFYHPMRZKAWMPU-JTQLQIEISA-N 0 0 195.262 2.268 10 30 AEEERN CC/C=C(\C)C(=O)O[C@@H](C#N)C(C)C 751161744 582760249 /nfs/dbraw/zinc/76/02/49/582760249.db2.gz XGZRNOSPESOZBP-ZKXNXJMVSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)/C=C\C1CC1 751158453 582760284 /nfs/dbraw/zinc/76/02/84/582760284.db2.gz ZODYMQMSLNCDLJ-WWQCOOJYSA-N 0 0 193.246 2.044 10 30 AEEERN C=CCCCC(=O)O[C@@H](C#N)C1CC1 751176436 582760288 /nfs/dbraw/zinc/76/02/88/582760288.db2.gz RRZXMYOZNFPFFW-JTQLQIEISA-N 0 0 193.246 2.188 10 30 AEEERN CCC/C=C\C(=O)O[C@H](C#N)C(C)C 751158374 582760366 /nfs/dbraw/zinc/76/03/66/582760366.db2.gz XWPNXECCXRJEQK-JYESYGNLSA-N 0 0 195.262 2.434 10 30 AEEERN CC/C=C(/C)C(=O)O[C@@H](C#N)C(C)C 751161742 582760395 /nfs/dbraw/zinc/76/03/95/582760395.db2.gz XGZRNOSPESOZBP-MBACFSSFSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)/C=C/C1CC1 751158449 582760413 /nfs/dbraw/zinc/76/04/13/582760413.db2.gz ZODYMQMSLNCDLJ-BRAIEQGRSA-N 0 0 193.246 2.044 10 30 AEEERN N#C[C@H](OC(=O)CCC1CC1)C1CC1 751176622 582760420 /nfs/dbraw/zinc/76/04/20/582760420.db2.gz FYFOQMFMHWBKAI-JTQLQIEISA-N 0 0 193.246 2.022 10 30 AEEERN CCC/C=C\C(=O)O[C@@H](C#N)C1CC1 751177400 582760430 /nfs/dbraw/zinc/76/04/30/582760430.db2.gz UTLIYMXQDJIVKQ-LWTINBJPSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)[C@H](C)C(C)C 751157407 582760445 /nfs/dbraw/zinc/76/04/45/582760445.db2.gz KGSHMTBLIGDTSS-ZJUUUORDSA-N 0 0 197.278 2.370 10 30 AEEERN CCC/C=C/C(=O)O[C@H](C#N)C(C)C 751158376 582760446 /nfs/dbraw/zinc/76/04/46/582760446.db2.gz XWPNXECCXRJEQK-VQCYPWCPSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)CCC1CC1 751160152 582760450 /nfs/dbraw/zinc/76/04/50/582760450.db2.gz NFYHPMRZKAWMPU-SNVBAGLBSA-N 0 0 195.262 2.268 10 30 AEEERN CCC/C=C/C(=O)O[C@@H](C#N)C(C)C 751158367 582760468 /nfs/dbraw/zinc/76/04/68/582760468.db2.gz XWPNXECCXRJEQK-FGEFZZPRSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)/C=C/C1CC1 751158452 582760470 /nfs/dbraw/zinc/76/04/70/582760470.db2.gz ZODYMQMSLNCDLJ-PORFMDCZSA-N 0 0 193.246 2.044 10 30 AEEERN CC(C)[C@H](C)C(=O)O[C@@H](C#N)C(C)C 751157405 582760528 /nfs/dbraw/zinc/76/05/28/582760528.db2.gz KGSHMTBLIGDTSS-UWVGGRQHSA-N 0 0 197.278 2.370 10 30 AEEERN CC/C=C(/C)C(=O)O[C@H](C#N)C(C)C 751161741 582760543 /nfs/dbraw/zinc/76/05/43/582760543.db2.gz XGZRNOSPESOZBP-ABRRARGCSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@@H](C)C(=O)O[C@@H](C#N)C1CC1 751178023 582760749 /nfs/dbraw/zinc/76/07/49/582760749.db2.gz MDQDKWPACJJHQT-SCZZXKLOSA-N 0 0 195.262 2.124 10 30 AEEERN CC/C=C(\C)C(=O)O[C@H](C#N)C1CC1 751178515 582760764 /nfs/dbraw/zinc/76/07/64/582760764.db2.gz WWCUZBOFXGWJGP-VMKBVTSJSA-N 0 0 193.246 2.188 10 30 AEEERN CC/C=C(/C)C(=O)O[C@@H](C#N)C1CC1 751178514 582760880 /nfs/dbraw/zinc/76/08/80/582760880.db2.gz WWCUZBOFXGWJGP-PENHIPQLSA-N 0 0 193.246 2.188 10 30 AEEERN CC/C=C(/C)C(=O)O[C@H](C#N)C1CC1 751178513 582760890 /nfs/dbraw/zinc/76/08/90/582760890.db2.gz WWCUZBOFXGWJGP-NAXAJZLFSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@H](C)C(=O)O[C@@H](C#N)C1CC1 751178025 582761086 /nfs/dbraw/zinc/76/10/86/582761086.db2.gz MDQDKWPACJJHQT-WPRPVWTQSA-N 0 0 195.262 2.124 10 30 AEEERN CCC/C=C\C(=O)O[C@H](C#N)C1CC1 751177403 582761151 /nfs/dbraw/zinc/76/11/51/582761151.db2.gz UTLIYMXQDJIVKQ-UMCURTJPSA-N 0 0 193.246 2.188 10 30 AEEERN CCC/C=C/C(=O)O[C@H](C#N)C1CC1 751177401 582761207 /nfs/dbraw/zinc/76/12/07/582761207.db2.gz UTLIYMXQDJIVKQ-ORAHPGNNSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@H](C)C(=O)O[C@H](C#N)C1CC1 751178024 582761314 /nfs/dbraw/zinc/76/13/14/582761314.db2.gz MDQDKWPACJJHQT-WCBMZHEXSA-N 0 0 195.262 2.124 10 30 AEEERN CCC/C=C/C(=O)O[C@@H](C#N)C1CC1 751177404 582761388 /nfs/dbraw/zinc/76/13/88/582761388.db2.gz UTLIYMXQDJIVKQ-YEZKRMTDSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@@H](C)C(=O)O[C@H](C#N)C1CC1 751178022 582761409 /nfs/dbraw/zinc/76/14/09/582761409.db2.gz MDQDKWPACJJHQT-PSASIEDQSA-N 0 0 195.262 2.124 10 30 AEEERN CC/C=C(\C)C(=O)O[C@@H](C#N)C1CC1 751178512 582761490 /nfs/dbraw/zinc/76/14/90/582761490.db2.gz WWCUZBOFXGWJGP-GOJXHPMJSA-N 0 0 193.246 2.188 10 30 AEEERN CON=C1CCC2(CCOCC2)CC1 751525365 582764047 /nfs/dbraw/zinc/76/40/47/582764047.db2.gz CSYZBPBDPJVGHF-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@@H]1CC1(C)C 751598934 582764220 /nfs/dbraw/zinc/76/42/20/582764220.db2.gz IEVADYVOPSFEKN-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(CC=C)C(=O)[C@@H]1CC1(C)C 751525152 582764564 /nfs/dbraw/zinc/76/45/64/582764564.db2.gz QGTYTAZPZGEMPM-JTQLQIEISA-N 0 0 193.290 2.233 10 30 AEEERN C=CCCCC(=O)N1C[C@H](C)[C@@H](C)C1 751967498 582766303 /nfs/dbraw/zinc/76/63/03/582766303.db2.gz CENQLXDIOSOCIR-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(C(=O)[C@H]1CC1(C)C)C(C)C 751887898 582766529 /nfs/dbraw/zinc/76/65/29/582766529.db2.gz AGVPYOOMGUQHDG-SNVBAGLBSA-N 0 0 195.306 2.456 10 30 AEEERN C=C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 751902095 582766577 /nfs/dbraw/zinc/76/65/77/582766577.db2.gz HUDNBQUREOKVTQ-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C=CCN(C(=O)[C@@H]1CC1(C)C)C(C)C 751887897 582766661 /nfs/dbraw/zinc/76/66/61/582766661.db2.gz AGVPYOOMGUQHDG-JTQLQIEISA-N 0 0 195.306 2.456 10 30 AEEERN C=CCCCC(=O)N1C[C@@H](C)[C@@H](C)C1 751967497 582766736 /nfs/dbraw/zinc/76/67/36/582766736.db2.gz CENQLXDIOSOCIR-PHIMTYICSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCC(=O)N1C[C@@H](C)[C@H](C)C1 751967495 582766833 /nfs/dbraw/zinc/76/68/33/582766833.db2.gz CENQLXDIOSOCIR-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C#CCN(CC#C)Cc1ccccc1C 752076661 582767803 /nfs/dbraw/zinc/76/78/03/582767803.db2.gz NXVFUWIKBUXNOP-UHFFFAOYSA-N 0 0 197.281 2.063 10 30 AEEERN C=C(Cl)CN1CCC[C@H]1C(F)F 839531163 582768980 /nfs/dbraw/zinc/76/89/80/582768980.db2.gz IIHMRJBKYAQXEM-ZETCQYMHSA-N 0 0 195.640 2.468 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)[C@H]1CC1(C)C 752491865 582769961 /nfs/dbraw/zinc/76/99/61/582769961.db2.gz OWKYEEODWXWEOI-RKDXNWHRSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)[C@H]1CC1(C)C 752491860 582770047 /nfs/dbraw/zinc/77/00/47/582770047.db2.gz OWKYEEODWXWEOI-BDAKNGLRSA-N 0 0 195.262 2.124 10 30 AEEERN CC1(C)C[C@@H]1C(=O)OC1(C#N)CCC1 752515211 582770082 /nfs/dbraw/zinc/77/00/82/582770082.db2.gz NQCVOWFIWJNEGV-MRVPVSSYSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)[C@@H]1CC1(C)C 752491862 582770131 /nfs/dbraw/zinc/77/01/31/582770131.db2.gz OWKYEEODWXWEOI-DTWKUNHWSA-N 0 0 195.262 2.124 10 30 AEEERN CC1(C)C[C@H]1C(=O)OC1(C#N)CCC1 752515216 582770219 /nfs/dbraw/zinc/77/02/19/582770219.db2.gz NQCVOWFIWJNEGV-QMMMGPOBSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)[C@@H]1CC1(C)C 752491864 582770256 /nfs/dbraw/zinc/77/02/56/582770256.db2.gz OWKYEEODWXWEOI-IUCAKERBSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)=CC(=O)O[C@@H](C)C(C)(C)C#N 753608616 582772668 /nfs/dbraw/zinc/77/26/68/582772668.db2.gz MTCOFDJOOOSXRI-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN C[C@@H](OC(=O)CC1CC1)C(C)(C)C#N 753617170 582772834 /nfs/dbraw/zinc/77/28/34/582772834.db2.gz WDFHEDROFLUTPG-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCC(=O)O[C@H](C)C(C)(C)C#N 753615406 582773227 /nfs/dbraw/zinc/77/32/27/582773227.db2.gz CKPRGIWPJKDSEN-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)=CC(=O)O[C@H](C)C(C)(C)C#N 753608612 582773385 /nfs/dbraw/zinc/77/33/85/582773385.db2.gz MTCOFDJOOOSXRI-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCCC(=O)O[C@@H](C)C(C)(C)C#N 753615409 582773732 /nfs/dbraw/zinc/77/37/32/582773732.db2.gz CKPRGIWPJKDSEN-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN C[C@H](OC(=O)[C@@H]1C[C@H]1C)C(C)(C)C#N 753621694 582774087 /nfs/dbraw/zinc/77/40/87/582774087.db2.gz MYZRRADCUPZLDX-HRDYMLBCSA-N 0 0 195.262 2.124 10 30 AEEERN C#Cc1ccccc1C(C)=NOCC 753694366 582774268 /nfs/dbraw/zinc/77/42/68/582774268.db2.gz DGMIBEIUOOWDIH-UHFFFAOYSA-N 0 0 187.242 2.428 10 30 AEEERN C[C@H](OC(=O)C1CCC1)C(C)(C)C#N 753620926 582774386 /nfs/dbraw/zinc/77/43/86/582774386.db2.gz NFSHYIDISAAZMG-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](OC(=O)C1CCC1)C(C)(C)C#N 753620925 582774553 /nfs/dbraw/zinc/77/45/53/582774553.db2.gz NFSHYIDISAAZMG-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](OC(=O)[C@H]1C[C@H]1C)C(C)(C)C#N 753621724 582774825 /nfs/dbraw/zinc/77/48/25/582774825.db2.gz MYZRRADCUPZLDX-VGMNWLOBSA-N 0 0 195.262 2.124 10 30 AEEERN C[C@H](OC(=O)CC1CC1)C(C)(C)C#N 753617171 582774872 /nfs/dbraw/zinc/77/48/72/582774872.db2.gz WDFHEDROFLUTPG-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)O[C@H](C)C(C)(C)C#N 753621693 582774890 /nfs/dbraw/zinc/77/48/90/582774890.db2.gz MYZRRADCUPZLDX-HLTSFMKQSA-N 0 0 195.262 2.124 10 30 AEEERN C=CCCCC(=O)N1CC(C(C)C)C1 753744346 582775385 /nfs/dbraw/zinc/77/53/85/582775385.db2.gz DEZVBTGMNCMUIC-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)O[C@H](C)C(C)(C)C#N 753621695 582775540 /nfs/dbraw/zinc/77/55/40/582775540.db2.gz MYZRRADCUPZLDX-IWSPIJDZSA-N 0 0 195.262 2.124 10 30 AEEERN C#CCCOC(=O)/C=C1\CC[C@@H](C)C1 753802755 582775614 /nfs/dbraw/zinc/77/56/14/582775614.db2.gz FPCXNAKTPOCBPX-OYVNLZQHSA-N 0 0 192.258 2.299 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C1\CC[C@H](C)C1 753811864 582775805 /nfs/dbraw/zinc/77/58/05/582775805.db2.gz XMQZWLDPHLOJNH-CWIHFQEBSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCCOC(=O)/C=C1\CC[C@H](C)C1 753802759 582776250 /nfs/dbraw/zinc/77/62/50/582776250.db2.gz FPCXNAKTPOCBPX-SPQRFVMMSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)/C=C1/CC[C@H](C)C1 753802758 582776376 /nfs/dbraw/zinc/77/63/76/582776376.db2.gz FPCXNAKTPOCBPX-RGAIUGGKSA-N 0 0 192.258 2.299 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C1/CC[C@@H](C)C1 753811865 582776559 /nfs/dbraw/zinc/77/65/59/582776559.db2.gz XMQZWLDPHLOJNH-ITYVAHBBSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C1/CC[C@H](C)C1 753811867 582776671 /nfs/dbraw/zinc/77/66/71/582776671.db2.gz XMQZWLDPHLOJNH-YNMOXFEVSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCCOC(=O)/C=C1/CC[C@@H](C)C1 753802757 582776799 /nfs/dbraw/zinc/77/67/99/582776799.db2.gz FPCXNAKTPOCBPX-QLWWJYNRSA-N 0 0 192.258 2.299 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C1\CC[C@@H](C)C1 753811866 582776825 /nfs/dbraw/zinc/77/68/25/582776825.db2.gz XMQZWLDPHLOJNH-PCYIOHOOSA-N 0 0 192.258 2.298 10 30 AEEERN C=CCCC(=O)O[C@H](C#N)C(C)(C)C 753951782 582777260 /nfs/dbraw/zinc/77/72/60/582777260.db2.gz YCBMMQKXVFWKSK-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C#CC(=O)N[C@H]1CCCC[C@@H]1CCC 754004028 582777310 /nfs/dbraw/zinc/77/73/10/582777310.db2.gz CWZRZGFVDAGXJS-QWRGUYRKSA-N 0 0 193.290 2.095 10 30 AEEERN CC(C)=CC(=O)O[C@H](C#N)C(C)(C)C 753951143 582777339 /nfs/dbraw/zinc/77/73/39/582777339.db2.gz NPQUDEMPQAAZES-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)O[C@H](C#N)C(C)(C)C 753950771 582777424 /nfs/dbraw/zinc/77/74/24/582777424.db2.gz JGXFOSJSSLTHEN-HRDYMLBCSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)=CC(=O)O[C@@H](C#N)C(C)(C)C 753951145 582777429 /nfs/dbraw/zinc/77/74/29/582777429.db2.gz NPQUDEMPQAAZES-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN N#CC1(OC(=O)C2CCCC2)CCC1 753960818 582777430 /nfs/dbraw/zinc/77/74/30/582777430.db2.gz MSRLUDJEMUPRKN-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)O[C@H](C#N)C(C)(C)C 753950772 582777442 /nfs/dbraw/zinc/77/74/42/582777442.db2.gz JGXFOSJSSLTHEN-IWSPIJDZSA-N 0 0 195.262 2.124 10 30 AEEERN C#CC(=O)N(C)CCC1CCCCC1 754001255 582777698 /nfs/dbraw/zinc/77/76/98/582777698.db2.gz HLIDUYAYMBSPDA-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN CC(C)(C)[C@@H](C#N)OC(=O)C1CCC1 753950974 582777708 /nfs/dbraw/zinc/77/77/08/582777708.db2.gz KULFSAPVBIBMPO-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)(C)[C@H](C#N)OC(=O)C1CCC1 753950976 582777712 /nfs/dbraw/zinc/77/77/12/582777712.db2.gz KULFSAPVBIBMPO-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)(C)CC(=O)OC1(C#N)CCC1 753961974 582777736 /nfs/dbraw/zinc/77/77/36/582777736.db2.gz SQUFBIBZOHVDNX-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN C=CCCC(=O)O[C@@H](C#N)C(C)(C)C 753951783 582777805 /nfs/dbraw/zinc/77/78/05/582777805.db2.gz YCBMMQKXVFWKSK-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN C#CC(=O)N[C@@H]1CCCC[C@@H]1CCC 754004029 582777915 /nfs/dbraw/zinc/77/79/15/582777915.db2.gz CWZRZGFVDAGXJS-WDEREUQCSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC(=O)N[C@@H]1CCCC[C@H]1CCC 754004024 582777934 /nfs/dbraw/zinc/77/79/34/582777934.db2.gz CWZRZGFVDAGXJS-GHMZBOCLSA-N 0 0 193.290 2.095 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)O[C@@H](C#N)C(C)(C)C 753950769 582778162 /nfs/dbraw/zinc/77/81/62/582778162.db2.gz JGXFOSJSSLTHEN-HLTSFMKQSA-N 0 0 195.262 2.124 10 30 AEEERN C#CC(=O)N[C@H]1CCCC[C@H]1CCC 754004026 582778218 /nfs/dbraw/zinc/77/82/18/582778218.db2.gz CWZRZGFVDAGXJS-MNOVXSKESA-N 0 0 193.290 2.095 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)O[C@@H](C#N)C(C)(C)C 753950774 582778405 /nfs/dbraw/zinc/77/84/05/582778405.db2.gz JGXFOSJSSLTHEN-VGMNWLOBSA-N 0 0 195.262 2.124 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(OC)CCCC1 754010631 582778797 /nfs/dbraw/zinc/77/87/97/582778797.db2.gz CJQMVKZBDGIFGO-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](C)OC(=O)C1(OC)CCCC1 754010634 582778885 /nfs/dbraw/zinc/77/88/85/582778885.db2.gz CJQMVKZBDGIFGO-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)COC(=O)Cc1ccc(C)o1 754332242 582780507 /nfs/dbraw/zinc/78/05/07/582780507.db2.gz FVNXURFNBBJMPZ-UHFFFAOYSA-N 0 0 194.230 2.250 10 30 AEEERN C#CCOc1cccc(OCCC)c1 754287803 582781080 /nfs/dbraw/zinc/78/10/80/582781080.db2.gz GEUQRQZCWZKWSM-UHFFFAOYSA-N 0 0 190.242 2.487 10 30 AEEERN C#C[C@@H](CC)NC(=O)[C@H](C)CC(=C)C 754389965 582781454 /nfs/dbraw/zinc/78/14/54/582781454.db2.gz HUPTZIGBDOBIRB-MNOVXSKESA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](CC)NC(=O)[C@@H](C)CC(=C)C 754389968 582781540 /nfs/dbraw/zinc/78/15/40/582781540.db2.gz HUPTZIGBDOBIRB-QWRGUYRKSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@H](CC)NC(=O)[C@H](C)CC(=C)C 754389964 582781725 /nfs/dbraw/zinc/78/17/25/582781725.db2.gz HUPTZIGBDOBIRB-GHMZBOCLSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@H](CC)NC(=O)[C@@H](C)CC(=C)C 754389969 582782097 /nfs/dbraw/zinc/78/20/97/582782097.db2.gz HUPTZIGBDOBIRB-WDEREUQCSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@H](CC)NC(=O)/C=C\C(C)(C)C 754671448 582782826 /nfs/dbraw/zinc/78/28/26/582782826.db2.gz BZEZAZPYTNHCGT-HSTULFTRSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](CC)NC(=O)/C=C/C(C)(C)C 754671447 582782840 /nfs/dbraw/zinc/78/28/40/582782840.db2.gz BZEZAZPYTNHCGT-DDXVTDLHSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](CC)NC(=O)/C=C\C(C)(C)C 754671449 582782922 /nfs/dbraw/zinc/78/29/22/582782922.db2.gz BZEZAZPYTNHCGT-QROTZFDESA-N 0 0 193.290 2.117 10 30 AEEERN CCC(CC)OC(=O)C1(C#N)CCC1 754818871 582783139 /nfs/dbraw/zinc/78/31/39/582783139.db2.gz BMLVJLFGSSZMJR-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN C#C[C@H](CC)NC(=O)/C=C/C(C)(C)C 754671445 582783402 /nfs/dbraw/zinc/78/34/02/582783402.db2.gz BZEZAZPYTNHCGT-AAXQSMANSA-N 0 0 193.290 2.117 10 30 AEEERN CCC[C@H](C)CN=Nc1ncccn1 755633223 582787830 /nfs/dbraw/zinc/78/78/30/582787830.db2.gz BCGOKKKJMCWLEM-VIFPVBQESA-N 0 0 192.266 2.311 10 30 AEEERN CCC[C@H](C)CN=Nc1cnccn1 755634058 582787996 /nfs/dbraw/zinc/78/79/96/582787996.db2.gz KEJLMJYDOFMCME-VIFPVBQESA-N 0 0 192.266 2.311 10 30 AEEERN CCC[C@@H](C)CN=Nc1ncccn1 755633191 582788104 /nfs/dbraw/zinc/78/81/04/582788104.db2.gz BCGOKKKJMCWLEM-SECBINFHSA-N 0 0 192.266 2.311 10 30 AEEERN CCC[C@@H](C)CN=Nc1cnccn1 755634057 582788141 /nfs/dbraw/zinc/78/81/41/582788141.db2.gz KEJLMJYDOFMCME-SECBINFHSA-N 0 0 192.266 2.311 10 30 AEEERN CON=CCCCOc1ccccc1 755633960 582788214 /nfs/dbraw/zinc/78/82/14/582788214.db2.gz INRLVFBSSODPHG-UHFFFAOYSA-N 0 0 193.246 2.478 10 30 AEEERN CCC[C@H](C)CN=Nc1cccnn1 755733294 582788686 /nfs/dbraw/zinc/78/86/86/582788686.db2.gz OJAPVQVOKOIKSI-VIFPVBQESA-N 0 0 192.266 2.311 10 30 AEEERN CCC[C@@H](C)C=NNC1CCOCC1 755764986 582788946 /nfs/dbraw/zinc/78/89/46/582788946.db2.gz AGHQUMMHQABDEU-SNVBAGLBSA-N 0 0 198.310 2.177 10 30 AEEERN CCC[C@H](C)C=NNC1CCOCC1 755764985 582789024 /nfs/dbraw/zinc/78/90/24/582789024.db2.gz AGHQUMMHQABDEU-JTQLQIEISA-N 0 0 198.310 2.177 10 30 AEEERN C=C(C)CCOC(=O)c1ocnc1C 755705894 582789349 /nfs/dbraw/zinc/78/93/49/582789349.db2.gz FZAPHVUNARAIPF-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN CCC[C@@H](C)CN=Nc1cccnn1 755733292 582789353 /nfs/dbraw/zinc/78/93/53/582789353.db2.gz OJAPVQVOKOIKSI-SECBINFHSA-N 0 0 192.266 2.311 10 30 AEEERN C=C(C)CCOC(=O)CCCC(C)=O 755810754 582789767 /nfs/dbraw/zinc/78/97/67/582789767.db2.gz HQRMLLXZSRIJSL-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C=C[C@H](CC)OC(=O)c1ocnc1C 755795700 582789873 /nfs/dbraw/zinc/78/98/73/582789873.db2.gz ODFQZGGCLVSZGQ-MRVPVSSYSA-N 0 0 195.218 2.104 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1ocnc1C 755795703 582789922 /nfs/dbraw/zinc/78/99/22/582789922.db2.gz ODFQZGGCLVSZGQ-QMMMGPOBSA-N 0 0 195.218 2.104 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1ncoc1C 755992068 582790094 /nfs/dbraw/zinc/79/00/94/582790094.db2.gz MZEVANIWFBHFFN-ZETCQYMHSA-N 0 0 195.218 2.104 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1ocnc1C 756012172 582790258 /nfs/dbraw/zinc/79/02/58/582790258.db2.gz CRHCNYIQSWZRDJ-MRVPVSSYSA-N 0 0 195.218 2.104 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1ncoc1C 755992065 582790321 /nfs/dbraw/zinc/79/03/21/582790321.db2.gz MZEVANIWFBHFFN-SSDOTTSWSA-N 0 0 195.218 2.104 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1cccn1C 756005235 582790359 /nfs/dbraw/zinc/79/03/59/582790359.db2.gz GLSOZAUMRPPFED-SECBINFHSA-N 0 0 193.246 2.147 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1ccn(C)c1 755989658 582790397 /nfs/dbraw/zinc/79/03/97/582790397.db2.gz ISBSAVQHQXANQP-VIFPVBQESA-N 0 0 193.246 2.147 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1CCCCO1 756014241 582790426 /nfs/dbraw/zinc/79/04/26/582790426.db2.gz MINSVXZIGXHOBF-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C[C@H]1CCCO1 755989687 582790473 /nfs/dbraw/zinc/79/04/73/582790473.db2.gz SZMCKEPKCHDVBT-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1cccnc1 755996161 582790476 /nfs/dbraw/zinc/79/04/76/582790476.db2.gz LTMQKLQWSAVZQL-SECBINFHSA-N 0 0 191.230 2.203 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@]1(C)CCCO1 755990578 582790539 /nfs/dbraw/zinc/79/05/39/582790539.db2.gz DBRBVJJZRXSDQY-KOLCDFICSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C[C@@H]1CCCO1 755989694 582790545 /nfs/dbraw/zinc/79/05/45/582790545.db2.gz SZMCKEPKCHDVBT-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C1=COCCC1 756000685 582790575 /nfs/dbraw/zinc/79/05/75/582790575.db2.gz LGCLSDACOFJMMM-VIFPVBQESA-N 0 0 196.246 2.189 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)Cc1ccco1 756011897 582790649 /nfs/dbraw/zinc/79/06/49/582790649.db2.gz AFZUBXAUUKPERA-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1c[nH]cc1C 755993281 582790664 /nfs/dbraw/zinc/79/06/64/582790664.db2.gz XKSOJBYVVWJBEO-VIFPVBQESA-N 0 0 193.246 2.445 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C1(OC)CCC1 756016486 582790680 /nfs/dbraw/zinc/79/06/80/582790680.db2.gz SYOLHIALYOJVMV-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@H]1CCCCO1 756013914 582790699 /nfs/dbraw/zinc/79/06/99/582790699.db2.gz MINSVXZIGXHOBF-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCOCC(=O)O[C@@H](C)C(=C)C 756000363 582790713 /nfs/dbraw/zinc/79/07/13/582790713.db2.gz JYIBOPFDXZZYGV-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=C(C)[C@H](C)OC(=O)Cc1ccco1 756011901 582790721 /nfs/dbraw/zinc/79/07/21/582790721.db2.gz AFZUBXAUUKPERA-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1ccn(C)c1 755989656 582790732 /nfs/dbraw/zinc/79/07/32/582790732.db2.gz ISBSAVQHQXANQP-SECBINFHSA-N 0 0 193.246 2.147 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1ocnc1C 756012173 582790737 /nfs/dbraw/zinc/79/07/37/582790737.db2.gz CRHCNYIQSWZRDJ-QMMMGPOBSA-N 0 0 195.218 2.104 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C[C@H]1CCCO1 755989691 582790748 /nfs/dbraw/zinc/79/07/48/582790748.db2.gz SZMCKEPKCHDVBT-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1cccnc1 755996392 582790750 /nfs/dbraw/zinc/79/07/50/582790750.db2.gz LTMQKLQWSAVZQL-VIFPVBQESA-N 0 0 191.230 2.203 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C1(OC)CCC1 756016477 582790776 /nfs/dbraw/zinc/79/07/76/582790776.db2.gz SYOLHIALYOJVMV-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CCCCO1 756013916 582790777 /nfs/dbraw/zinc/79/07/77/582790777.db2.gz MINSVXZIGXHOBF-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@]1(C)CCCO1 755990579 582790778 /nfs/dbraw/zinc/79/07/78/582790778.db2.gz DBRBVJJZRXSDQY-MWLCHTKSSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1c[nH]cc1C 755993279 582790780 /nfs/dbraw/zinc/79/07/80/582790780.db2.gz XKSOJBYVVWJBEO-SECBINFHSA-N 0 0 193.246 2.445 10 30 AEEERN C=CCCOCC(=O)O[C@H](C)C(=C)C 756000364 582790793 /nfs/dbraw/zinc/79/07/93/582790793.db2.gz JYIBOPFDXZZYGV-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C[C@@H]1CCCO1 755989690 582790812 /nfs/dbraw/zinc/79/08/12/582790812.db2.gz SZMCKEPKCHDVBT-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1cccn1C 756005236 582790815 /nfs/dbraw/zinc/79/08/15/582790815.db2.gz GLSOZAUMRPPFED-VIFPVBQESA-N 0 0 193.246 2.147 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H]1CCCCO1 756014239 582790861 /nfs/dbraw/zinc/79/08/61/582790861.db2.gz MINSVXZIGXHOBF-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@]1(C)CCCO1 755990577 582790878 /nfs/dbraw/zinc/79/08/78/582790878.db2.gz DBRBVJJZRXSDQY-GXSJLCMTSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C1=COCCC1 756000683 582790881 /nfs/dbraw/zinc/79/08/81/582790881.db2.gz LGCLSDACOFJMMM-SECBINFHSA-N 0 0 196.246 2.189 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@]1(C)CCCO1 755990580 582790890 /nfs/dbraw/zinc/79/08/90/582790890.db2.gz DBRBVJJZRXSDQY-ONGXEEELSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)CCOC(=O)[C@]1(C)CCCO1 756296322 582791393 /nfs/dbraw/zinc/79/13/93/582791393.db2.gz JBOYDTPEZXFKLO-NSHDSACASA-N 0 0 198.262 2.065 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)C=C1CCC1 756265880 582791647 /nfs/dbraw/zinc/79/16/47/582791647.db2.gz DVKZPWJAQIEMNC-SNVBAGLBSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)C=C1CCC1 756265878 582791782 /nfs/dbraw/zinc/79/17/82/582791782.db2.gz DVKZPWJAQIEMNC-JTQLQIEISA-N 0 0 193.246 2.188 10 30 AEEERN C=CCOC(=O)C[C@@H](OCC)C(=C)C 756475139 582792002 /nfs/dbraw/zinc/79/20/02/582792002.db2.gz ASILYYXQQJBQHY-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=CCCOC(=O)C1=C(C)OCCC1 756441207 582792155 /nfs/dbraw/zinc/79/21/55/582792155.db2.gz GZCYZTQUESNKOH-UHFFFAOYSA-N 0 0 196.246 2.190 10 30 AEEERN C=CCCCOC(=O)[C@@]1(C)CCCO1 756295660 582792249 /nfs/dbraw/zinc/79/22/49/582792249.db2.gz PHCPHIWQWJJPLZ-LLVKDONJSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCC(=O)OCC(=O)[C@H](C)CC 756397511 582792406 /nfs/dbraw/zinc/79/24/06/582792406.db2.gz QFUKHPZBUIYTOZ-SECBINFHSA-N 0 0 198.262 2.111 10 30 AEEERN C=C(C)CCOC(=O)[C@@]1(C)CCCO1 756296321 582792679 /nfs/dbraw/zinc/79/26/79/582792679.db2.gz JBOYDTPEZXFKLO-LLVKDONJSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCCOC(=O)[C@]1(C)CCCO1 756295662 582792688 /nfs/dbraw/zinc/79/26/88/582792688.db2.gz PHCPHIWQWJJPLZ-NSHDSACASA-N 0 0 198.262 2.065 10 30 AEEERN C=CCOC(=O)C[C@H](OCC)C(=C)C 756475137 582792696 /nfs/dbraw/zinc/79/26/96/582792696.db2.gz ASILYYXQQJBQHY-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=CCCC(=O)OCC(=O)[C@@H](C)CC 756397512 582792702 /nfs/dbraw/zinc/79/27/02/582792702.db2.gz QFUKHPZBUIYTOZ-VIFPVBQESA-N 0 0 198.262 2.111 10 30 AEEERN CC(C)CC1(C(=O)OCC#N)CCC1 757141302 582794607 /nfs/dbraw/zinc/79/46/07/582794607.db2.gz HKHLGXQHCDAVQT-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCN1CCc2c(F)cccc2C1 757144802 582794476 /nfs/dbraw/zinc/79/44/76/582794476.db2.gz AWGYXLSVBUKOAU-UHFFFAOYSA-N 0 0 191.249 2.370 10 30 AEEERN Cc1ccc(N(C)CC#N)c(F)c1 839649421 582795414 /nfs/dbraw/zinc/79/54/14/582795414.db2.gz HDHZWMTYFFVAPF-UHFFFAOYSA-N 0 0 178.210 2.094 10 30 AEEERN C#CCCCC(=O)N(CC)CC(=C)C 757919621 582797242 /nfs/dbraw/zinc/79/72/42/582797242.db2.gz DDUROQJPMCLAHH-UHFFFAOYSA-N 0 0 193.290 2.215 10 30 AEEERN C#CCCCC(=O)N1CCCC[C@H]1C 757759179 582797333 /nfs/dbraw/zinc/79/73/33/582797333.db2.gz HVGKBZUSZDLPBP-LLVKDONJSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCCCC(=O)N(CC)CCCC 757920178 582797561 /nfs/dbraw/zinc/79/75/61/582797561.db2.gz AQCXZCVJTPOWGW-UHFFFAOYSA-N 0 0 195.306 2.439 10 30 AEEERN C#CCCCC(=O)N1CCCC[C@@H]1C 757759181 582797733 /nfs/dbraw/zinc/79/77/33/582797733.db2.gz HVGKBZUSZDLPBP-NSHDSACASA-N 0 0 193.290 2.191 10 30 AEEERN C=CCCOCC(=O)OC1(C)CCC1 757922236 582797828 /nfs/dbraw/zinc/79/78/28/582797828.db2.gz LHENJHGDXHODQI-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN CC#CCOc1ccc(N(C)C)cc1 757702968 582798134 /nfs/dbraw/zinc/79/81/34/582798134.db2.gz GUPLXDWIJYHOND-UHFFFAOYSA-N 0 0 189.258 2.155 10 30 AEEERN C#CCCCC(=O)NCCCC1CC1 757961304 582798297 /nfs/dbraw/zinc/79/82/97/582798297.db2.gz QRQZLPSWKQKCNW-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C#CCCCC(=O)N1CC[C@H](C)[C@@H]1C 757984652 582798358 /nfs/dbraw/zinc/79/83/58/582798358.db2.gz HGTIJHMQDMXCSK-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)NC[C@@H](C)C(C)C 757958280 582798381 /nfs/dbraw/zinc/79/83/81/582798381.db2.gz APKIOKJKQVGIQT-LLVKDONJSA-N 0 0 195.306 2.198 10 30 AEEERN C#CCCCC(=O)NCC1(C)CCC1 757980588 582798389 /nfs/dbraw/zinc/79/83/89/582798389.db2.gz JMUFCXKZKXQMFE-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C#CCCCC(=O)NC[C@H](C)C(C)C 757958282 582798405 /nfs/dbraw/zinc/79/84/05/582798405.db2.gz APKIOKJKQVGIQT-NSHDSACASA-N 0 0 195.306 2.198 10 30 AEEERN C#CCCCC(=O)N1CC[C@@H](C)[C@@H]1C 757984647 582798420 /nfs/dbraw/zinc/79/84/20/582798420.db2.gz HGTIJHMQDMXCSK-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1CC[C@@H](C)[C@H]1C 757984645 582798424 /nfs/dbraw/zinc/79/84/24/582798424.db2.gz HGTIJHMQDMXCSK-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1CC[C@H](C)[C@H]1C 757984653 582798426 /nfs/dbraw/zinc/79/84/26/582798426.db2.gz HGTIJHMQDMXCSK-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N(C)C(C)(C)CC 758336574 582798702 /nfs/dbraw/zinc/79/87/02/582798702.db2.gz HRARWIWZKXFSEY-UHFFFAOYSA-N 0 0 195.306 2.437 10 30 AEEERN C#CCCCC(=O)NC(C)(CC)CC 758335621 582798765 /nfs/dbraw/zinc/79/87/65/582798765.db2.gz GHCRYNSYKCOFIB-UHFFFAOYSA-N 0 0 195.306 2.485 10 30 AEEERN Cc1ccc(N=NC[C@H]2C[C@H]2C)nc1 758374970 582799181 /nfs/dbraw/zinc/79/91/81/582799181.db2.gz LZPRRNMESZGBMB-NXEZZACHSA-N 0 0 189.262 2.444 10 30 AEEERN Cc1ccc(N=NC[C@@H]2C[C@@H]2C)nc1 758374971 582799306 /nfs/dbraw/zinc/79/93/06/582799306.db2.gz LZPRRNMESZGBMB-UWVGGRQHSA-N 0 0 189.262 2.444 10 30 AEEERN C#CCCCC(=O)N(CC)CC1CC1 758335708 582799318 /nfs/dbraw/zinc/79/93/18/582799318.db2.gz DMNBNXPMOOFUIO-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C#CCCCC(=O)N(C)CCCC=C 758401454 582799881 /nfs/dbraw/zinc/79/98/81/582799881.db2.gz POXZPEOJWJRACF-UHFFFAOYSA-N 0 0 193.290 2.215 10 30 AEEERN C#CCCCC(=O)N(C)CCC1CC1 758837312 582800085 /nfs/dbraw/zinc/80/00/85/582800085.db2.gz CCWXMCIXGJZIMY-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C#C[C@H](C)OC(=O)C(CC=C)CC=C 758528640 582800237 /nfs/dbraw/zinc/80/02/37/582800237.db2.gz KLLXPJNCYBUFAV-JTQLQIEISA-N 0 0 192.258 2.320 10 30 AEEERN C#C[C@@H](C)OC(=O)C(CC=C)CC=C 758528643 582800244 /nfs/dbraw/zinc/80/02/44/582800244.db2.gz KLLXPJNCYBUFAV-SNVBAGLBSA-N 0 0 192.258 2.320 10 30 AEEERN C#CCCCC(=O)NC1(CC)CCC1 758560728 582800253 /nfs/dbraw/zinc/80/02/53/582800253.db2.gz KBNBVJKLTVIOFS-UHFFFAOYSA-N 0 0 193.290 2.239 10 30 AEEERN CC1(CC(=O)OCCCCC#N)CC1 758827574 582800284 /nfs/dbraw/zinc/80/02/84/582800284.db2.gz FTBDRZQVIIGTED-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN COCCCON=Cc1ccccc1 758766134 582800442 /nfs/dbraw/zinc/80/04/42/582800442.db2.gz FBRXQYBXSNTEFH-UHFFFAOYSA-N 0 0 193.246 2.074 10 30 AEEERN C=CCC(CC=C)C(=O)O[C@H](C)C#N 759009325 582801158 /nfs/dbraw/zinc/80/11/58/582801158.db2.gz DJSGGBNZOAGGHM-SECBINFHSA-N 0 0 193.246 2.210 10 30 AEEERN C=CCC(CC=C)C(=O)O[C@@H](C)C#N 759009353 582801401 /nfs/dbraw/zinc/80/14/01/582801401.db2.gz DJSGGBNZOAGGHM-VIFPVBQESA-N 0 0 193.246 2.210 10 30 AEEERN C#CCCNC(=O)C1(CCC)CCC1 759218697 582802123 /nfs/dbraw/zinc/80/21/23/582802123.db2.gz PCJMAJLRUFOYJZ-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C#CCCCC(=O)N1CCCC1(C)C 759196540 582802416 /nfs/dbraw/zinc/80/24/16/582802416.db2.gz AOMDNBDOPSCENF-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN C[C@@H]1CC[C@H](CC(=O)O[C@H](C)C#N)C1 759401869 582802793 /nfs/dbraw/zinc/80/27/93/582802793.db2.gz CVRKXUWANULONZ-BBBLOLIVSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](C#N)OC(=O)C[C@@H]1CC[C@@H](C)C1 759401879 582802977 /nfs/dbraw/zinc/80/29/77/582802977.db2.gz CVRKXUWANULONZ-KXUCPTDWSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H]1CC[C@@H](CC(=O)O[C@H](C)C#N)C1 759401881 582803010 /nfs/dbraw/zinc/80/30/10/582803010.db2.gz CVRKXUWANULONZ-OPRDCNLKSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)CC1(C)CC1 759455365 582803054 /nfs/dbraw/zinc/80/30/54/582803054.db2.gz LFKIRDHZLYQFPZ-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)CC1(C)CC1 759455358 582803075 /nfs/dbraw/zinc/80/30/75/582803075.db2.gz LFKIRDHZLYQFPZ-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCCCC(=O)OCc1ccoc1 759452622 582803121 /nfs/dbraw/zinc/80/31/21/582803121.db2.gz RDOZLXMJDAEQCG-UHFFFAOYSA-N 0 0 192.214 2.126 10 30 AEEERN C[C@@H](C#N)OC(=O)C[C@H]1CC[C@@H](C)C1 759401883 582803397 /nfs/dbraw/zinc/80/33/97/582803397.db2.gz CVRKXUWANULONZ-UTLUCORTSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H]1CC[C@@H](C)C1 759554775 582803771 /nfs/dbraw/zinc/80/37/71/582803771.db2.gz KQNZDIOKZBIBDJ-OUAUKWLOSA-N 0 0 194.274 2.378 10 30 AEEERN CC1(CC(=O)O[C@H](C#N)C2CC2)CC1 759551410 582803878 /nfs/dbraw/zinc/80/38/78/582803878.db2.gz REKUSMLEYVPPOH-SECBINFHSA-N 0 0 193.246 2.022 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H]1CC[C@H](C)C1 759554774 582803917 /nfs/dbraw/zinc/80/39/17/582803917.db2.gz KQNZDIOKZBIBDJ-GARJFASQSA-N 0 0 194.274 2.378 10 30 AEEERN CC1(CC(=O)O[C@@H](C#N)C2CC2)CC1 759551414 582803930 /nfs/dbraw/zinc/80/39/30/582803930.db2.gz REKUSMLEYVPPOH-VIFPVBQESA-N 0 0 193.246 2.022 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H]1CC[C@H](C)C1 759554773 582803939 /nfs/dbraw/zinc/80/39/39/582803939.db2.gz KQNZDIOKZBIBDJ-DCAQKATOSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCCC(=O)OC1(C2CC2)CC1 759551534 582804082 /nfs/dbraw/zinc/80/40/82/582804082.db2.gz WWLZYKKFUGEKBV-UHFFFAOYSA-N 0 0 192.258 2.276 10 30 AEEERN C=CCCC(=O)OCCCC(=O)CC 759505809 582804143 /nfs/dbraw/zinc/80/41/43/582804143.db2.gz CCBLROZOXFEIDQ-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H]1CC[C@@H](C)C1 759554776 582804202 /nfs/dbraw/zinc/80/42/02/582804202.db2.gz KQNZDIOKZBIBDJ-VWYCJHECSA-N 0 0 194.274 2.378 10 30 AEEERN CC1(CC(=O)OC2(C#N)CCC2)CC1 759577281 582804219 /nfs/dbraw/zinc/80/42/19/582804219.db2.gz XYOAOHXREYINQU-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN CC[C@@H](C#N)OC(=O)[C@H]1CC12CCC2 759864157 582804602 /nfs/dbraw/zinc/80/46/02/582804602.db2.gz HPACBYJJMKPLBV-DTWKUNHWSA-N 0 0 193.246 2.022 10 30 AEEERN C[C@@H](CC#N)OC(=O)[C@@H]1CC12CCC2 759859156 582804637 /nfs/dbraw/zinc/80/46/37/582804637.db2.gz YYXRXUBIUJBIRW-IUCAKERBSA-N 0 0 193.246 2.022 10 30 AEEERN CC[C@@H](CC#N)OC(=O)CC1(C)CC1 759685919 582804885 /nfs/dbraw/zinc/80/48/85/582804885.db2.gz CQJOJZXSEPTYIL-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C#CCCCOC(=O)[C@H]1CC12CCC2 759823472 582804888 /nfs/dbraw/zinc/80/48/88/582804888.db2.gz GFAXIPLETRRDAE-SNVBAGLBSA-N 0 0 192.258 2.133 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@H]1CC12CCC2 759864161 582804942 /nfs/dbraw/zinc/80/49/42/582804942.db2.gz HPACBYJJMKPLBV-RKDXNWHRSA-N 0 0 193.246 2.022 10 30 AEEERN C#CCCCC(=O)O[C@H](CC)CC#N 759686015 582804956 /nfs/dbraw/zinc/80/49/56/582804956.db2.gz DLUQBRJNUZADBA-SNVBAGLBSA-N 0 0 193.246 2.025 10 30 AEEERN C[C@@H](CC#N)OC(=O)[C@H]1CC12CCC2 759859154 582804988 /nfs/dbraw/zinc/80/49/88/582804988.db2.gz YYXRXUBIUJBIRW-DTWKUNHWSA-N 0 0 193.246 2.022 10 30 AEEERN C#CCCCOC(=O)[C@@H]1CC12CCC2 759823071 582805084 /nfs/dbraw/zinc/80/50/84/582805084.db2.gz GFAXIPLETRRDAE-JTQLQIEISA-N 0 0 192.258 2.133 10 30 AEEERN CC[C@H](CC#N)OC(=O)CC1(C)CC1 759685697 582805093 /nfs/dbraw/zinc/80/50/93/582805093.db2.gz CQJOJZXSEPTYIL-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@@H]1CC12CCC2 759864155 582805113 /nfs/dbraw/zinc/80/51/13/582805113.db2.gz HPACBYJJMKPLBV-BDAKNGLRSA-N 0 0 193.246 2.022 10 30 AEEERN CC[C@@H](C#N)OC(=O)[C@@H]1CC12CCC2 759864159 582805148 /nfs/dbraw/zinc/80/51/48/582805148.db2.gz HPACBYJJMKPLBV-IUCAKERBSA-N 0 0 193.246 2.022 10 30 AEEERN C[C@H](CC#N)OC(=O)[C@H]1CC12CCC2 759859433 582805215 /nfs/dbraw/zinc/80/52/15/582805215.db2.gz YYXRXUBIUJBIRW-RKDXNWHRSA-N 0 0 193.246 2.022 10 30 AEEERN C#CCCCC(=O)O[C@@H](CC)CC#N 759686012 582805251 /nfs/dbraw/zinc/80/52/51/582805251.db2.gz DLUQBRJNUZADBA-JTQLQIEISA-N 0 0 193.246 2.025 10 30 AEEERN C[C@H](CC#N)OC(=O)[C@@H]1CC12CCC2 759859153 582805270 /nfs/dbraw/zinc/80/52/70/582805270.db2.gz YYXRXUBIUJBIRW-BDAKNGLRSA-N 0 0 193.246 2.022 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@@]1(C)C(C)C 774101343 582857653 /nfs/dbraw/zinc/85/76/53/582857653.db2.gz BFLMGVXQVZXKMF-NHCYSSNCSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@]1(C)C(C)C 774101341 582857661 /nfs/dbraw/zinc/85/76/61/582857661.db2.gz BFLMGVXQVZXKMF-JBLDHEPKSA-N 0 0 194.274 2.234 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1C(C)C 774156053 582857690 /nfs/dbraw/zinc/85/76/90/582857690.db2.gz GCCUKXJJRCVVTJ-KXUCPTDWSA-N 0 0 195.262 2.124 10 30 AEEERN CC#CCCOC(=O)[C@@H]1CC12CCC2 760273278 582806412 /nfs/dbraw/zinc/80/64/12/582806412.db2.gz GJUBHPIBYONVKO-JTQLQIEISA-N 0 0 192.258 2.133 10 30 AEEERN C#CCC(C)(C)COC(=O)C1(C)CC1 760267946 582806419 /nfs/dbraw/zinc/80/64/19/582806419.db2.gz GPQITTPPPZHYQZ-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCOC(=O)[C@H]1CC12CCC2 760273280 582806527 /nfs/dbraw/zinc/80/65/27/582806527.db2.gz GJUBHPIBYONVKO-SNVBAGLBSA-N 0 0 192.258 2.133 10 30 AEEERN C#CCC(C)(C)COC(=O)CC1CC1 760271972 582806543 /nfs/dbraw/zinc/80/65/43/582806543.db2.gz HMBPHLQUYPTFQD-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCC(=O)N1CC[C@H]1C(C)C 760489903 582807064 /nfs/dbraw/zinc/80/70/64/582807064.db2.gz DNCSNJMDRTYSKP-NSHDSACASA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1CC[C@@H]1C(C)C 760489901 582807077 /nfs/dbraw/zinc/80/70/77/582807077.db2.gz DNCSNJMDRTYSKP-LLVKDONJSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1C[C@H](C)C[C@@H]1C 760366743 582807158 /nfs/dbraw/zinc/80/71/58/582807158.db2.gz GAWWRAXATCSGGE-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1C[C@H](C)C[C@H]1C 760366741 582807165 /nfs/dbraw/zinc/80/71/65/582807165.db2.gz GAWWRAXATCSGGE-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1C[C@@H](C)C[C@@H]1C 760366745 582807199 /nfs/dbraw/zinc/80/71/99/582807199.db2.gz GAWWRAXATCSGGE-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCCCC(=O)N1C[C@@H](C)C[C@H]1C 760366746 582807332 /nfs/dbraw/zinc/80/73/32/582807332.db2.gz GAWWRAXATCSGGE-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN C=CCOC(=O)c1cc(C)c(CC)o1 761060856 582808846 /nfs/dbraw/zinc/80/88/46/582808846.db2.gz QOFSNYNKDRNTQY-UHFFFAOYSA-N 0 0 194.230 2.493 10 30 AEEERN C/C=C(/C)C(=O)O[C@H](C)C(C)(C)C#N 761015233 582809066 /nfs/dbraw/zinc/80/90/66/582809066.db2.gz FQHWWGVTDGJCJQ-JGAIRUGNSA-N 0 0 195.262 2.434 10 30 AEEERN C/C=C(\C)C(=O)O[C@H](C)C(C)(C)C#N 761015232 582809083 /nfs/dbraw/zinc/80/90/83/582809083.db2.gz FQHWWGVTDGJCJQ-BNICOGTQSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)C1=CCCC1 761133018 582811554 /nfs/dbraw/zinc/81/15/54/582811554.db2.gz ICPAKKFSFGKHQB-SNVBAGLBSA-N 0 0 193.246 2.188 10 30 AEEERN C=CCCC(=O)COC(=O)/C(C)=C/C 761410348 582812090 /nfs/dbraw/zinc/81/20/90/582812090.db2.gz FQYRAHAYKXOEJV-WEVVVXLNSA-N 0 0 196.246 2.031 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)C1=CCCC1 761133017 582811737 /nfs/dbraw/zinc/81/17/37/582811737.db2.gz ICPAKKFSFGKHQB-JTQLQIEISA-N 0 0 193.246 2.188 10 30 AEEERN C=CCCC(=O)COC(=O)C=C(C)C 761347691 582811933 /nfs/dbraw/zinc/81/19/33/582811933.db2.gz GEYHPAGBXKTGAT-UHFFFAOYSA-N 0 0 196.246 2.031 10 30 AEEERN C=CCCC(=O)COC(=O)[C@@H](C)CC 761360445 582812243 /nfs/dbraw/zinc/81/22/43/582812243.db2.gz ANNKJCJHIPAYEN-VIFPVBQESA-N 0 0 198.262 2.111 10 30 AEEERN C=CCCC(=O)COC(=O)CCCC 761359271 582812282 /nfs/dbraw/zinc/81/22/82/582812282.db2.gz DNGIMGXEYKHERD-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C#CCCNC(=O)[C@H](C)C(CC)CC 761455854 582812293 /nfs/dbraw/zinc/81/22/93/582812293.db2.gz PXQZRRSCUDNKHA-SNVBAGLBSA-N 0 0 195.306 2.198 10 30 AEEERN C=CCCC(=O)COC(=O)/C(C)=C\C 761410347 582812384 /nfs/dbraw/zinc/81/23/84/582812384.db2.gz FQYRAHAYKXOEJV-UITAMQMPSA-N 0 0 196.246 2.031 10 30 AEEERN C=CCCCC(=O)O[C@H]1CCCOC1 761347532 582812421 /nfs/dbraw/zinc/81/24/21/582812421.db2.gz GABSBYYTQLWTCQ-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCC(=O)COC(=O)CCC=C 761396350 582812429 /nfs/dbraw/zinc/81/24/29/582812429.db2.gz BVEAIPMQBACTEL-UHFFFAOYSA-N 0 0 196.246 2.031 10 30 AEEERN C=CCCC(=O)COC(=O)[C@H](C)CC 761360443 582812480 /nfs/dbraw/zinc/81/24/80/582812480.db2.gz ANNKJCJHIPAYEN-SECBINFHSA-N 0 0 198.262 2.111 10 30 AEEERN C#CCCNC(=O)[C@@H](C)C(CC)CC 761455853 582812544 /nfs/dbraw/zinc/81/25/44/582812544.db2.gz PXQZRRSCUDNKHA-JTQLQIEISA-N 0 0 195.306 2.198 10 30 AEEERN C=CCCCC(=O)O[C@@H]1CCCOC1 761347533 582812746 /nfs/dbraw/zinc/81/27/46/582812746.db2.gz GABSBYYTQLWTCQ-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN CC#CCN(C)OCc1ccccc1 761701850 582812878 /nfs/dbraw/zinc/81/28/78/582812878.db2.gz CKDQEYYDMISSOA-UHFFFAOYSA-N 0 0 189.258 2.073 10 30 AEEERN C#CCCN(C)OCc1ccccc1 761701890 582813376 /nfs/dbraw/zinc/81/33/76/582813376.db2.gz DNHVVEFTXZAOFH-UHFFFAOYSA-N 0 0 189.258 2.073 10 30 AEEERN C#CCCc1noc(C2CCCC2)n1 761998454 582813418 /nfs/dbraw/zinc/81/34/18/582813418.db2.gz BFTPASGMBUNOIP-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN C#CCCc1noc(C2CC=CC2)n1 761998707 582813664 /nfs/dbraw/zinc/81/36/64/582813664.db2.gz DVYYPXIPCHNDPS-UHFFFAOYSA-N 0 0 188.230 2.069 10 30 AEEERN N#CC1(OC(=O)C2=CCCC2)CCC1 762092224 582814125 /nfs/dbraw/zinc/81/41/25/582814125.db2.gz XPOPFERACGYRLN-UHFFFAOYSA-N 0 0 191.230 2.086 10 30 AEEERN C#CCCc1noc(CCC(C)C)n1 762010173 582814150 /nfs/dbraw/zinc/81/41/50/582814150.db2.gz GJVOZHZDVKUTGC-UHFFFAOYSA-N 0 0 192.262 2.224 10 30 AEEERN C=CCCCC(=O)OC1(C#N)CCC1 762098281 582814304 /nfs/dbraw/zinc/81/43/04/582814304.db2.gz RZLADOKAEMGRMS-UHFFFAOYSA-N 0 0 193.246 2.332 10 30 AEEERN CCC/C=C\C(=O)OC1(C#N)CCC1 762099196 582814360 /nfs/dbraw/zinc/81/43/60/582814360.db2.gz AYPFYRREPVQPMC-XQRVVYSFSA-N 0 0 193.246 2.332 10 30 AEEERN N#CC1(OC(=O)CCC2CC2)CCC1 762093776 582814405 /nfs/dbraw/zinc/81/44/05/582814405.db2.gz HEBWXWZDPZLMLE-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN C[C@H](C(=O)OC1(C#N)CCC1)C1CC1 762092183 582814442 /nfs/dbraw/zinc/81/44/42/582814442.db2.gz WELBLLOEQMPWIT-QMMMGPOBSA-N 0 0 193.246 2.022 10 30 AEEERN CC/C=C(/C)C(=O)OC1(C#N)CCC1 762097916 582814478 /nfs/dbraw/zinc/81/44/78/582814478.db2.gz KQRVFOJJVATICJ-UITAMQMPSA-N 0 0 193.246 2.332 10 30 AEEERN C[C@@H](C(=O)OC1(C#N)CCC1)C1CC1 762092182 582814464 /nfs/dbraw/zinc/81/44/64/582814464.db2.gz WELBLLOEQMPWIT-MRVPVSSYSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)CCC(=O)OC1(C#N)CCC1 762105401 582814476 /nfs/dbraw/zinc/81/44/76/582814476.db2.gz IMZYBPGHLSFYRX-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN CC(C)[C@@H](C)C(=O)OC1(C#N)CCC1 762095083 582814381 /nfs/dbraw/zinc/81/43/81/582814381.db2.gz UZDUUSJRAKYYRW-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN N#CC1(OC(=O)CC2CCC2)CCC1 762097360 582814392 /nfs/dbraw/zinc/81/43/92/582814392.db2.gz CEIRYLWTAFNFHP-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN CCC/C=C/C(=O)OC1(C#N)CCC1 762099195 582814483 /nfs/dbraw/zinc/81/44/83/582814483.db2.gz AYPFYRREPVQPMC-GQCTYLIASA-N 0 0 193.246 2.332 10 30 AEEERN N#CC1(OC(=O)C=C2CCC2)CCC1 762098601 582814499 /nfs/dbraw/zinc/81/44/99/582814499.db2.gz SZYJWCWAYCHGOL-UHFFFAOYSA-N 0 0 191.230 2.086 10 30 AEEERN CCC[C@@H](C)C(=O)OC1(C#N)CCC1 762104773 582814539 /nfs/dbraw/zinc/81/45/39/582814539.db2.gz CRVDLDAIWBOXFO-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN CCC[C@H](C)C(=O)OC1(C#N)CCC1 762104775 582814693 /nfs/dbraw/zinc/81/46/93/582814693.db2.gz CRVDLDAIWBOXFO-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CC(C)[C@H](C)C(=O)OC1(C#N)CCC1 762095084 582814714 /nfs/dbraw/zinc/81/47/14/582814714.db2.gz UZDUUSJRAKYYRW-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN C#CCCc1noc([C@H]2CC2(C)C)n1 762010761 582814720 /nfs/dbraw/zinc/81/47/20/582814720.db2.gz QDNGCUSIEVIHQN-MRVPVSSYSA-N 0 0 190.246 2.149 10 30 AEEERN C#CCCc1noc(CCCC=C)n1 762013174 582814722 /nfs/dbraw/zinc/81/47/22/582814722.db2.gz BLYHGQSIDWXBJY-UHFFFAOYSA-N 0 0 190.246 2.144 10 30 AEEERN C#CCCc1noc([C@@H]2CC2(C)C)n1 762010763 582814740 /nfs/dbraw/zinc/81/47/40/582814740.db2.gz QDNGCUSIEVIHQN-QMMMGPOBSA-N 0 0 190.246 2.149 10 30 AEEERN CC/C=C(\C)C(=O)OC1(C#N)CCC1 762097917 582814758 /nfs/dbraw/zinc/81/47/58/582814758.db2.gz KQRVFOJJVATICJ-WEVVVXLNSA-N 0 0 193.246 2.332 10 30 AEEERN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)C#N 762454368 582815493 /nfs/dbraw/zinc/81/54/93/582815493.db2.gz KTHAEXUKPWHQJA-ORZBULNSSA-N 0 0 194.278 2.007 10 30 AEEERN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)C#N 762454369 582815617 /nfs/dbraw/zinc/81/56/17/582815617.db2.gz KTHAEXUKPWHQJA-XZLDQRQTSA-N 0 0 194.278 2.007 10 30 AEEERN CC(C)[C@H](C)OC(=O)C1(C#N)CCC1 763546530 582819426 /nfs/dbraw/zinc/81/94/26/582819426.db2.gz BURFLJUSQQHSIU-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN C#CC[C@@H](OC(=O)C1CC1)C(C)(C)C 763268047 582818496 /nfs/dbraw/zinc/81/84/96/582818496.db2.gz PUUMYCXXHDNOLB-SNVBAGLBSA-N 0 0 194.274 2.378 10 30 AEEERN C#CC[C@H](OC(=O)C1CC1)C(C)(C)C 763268034 582818635 /nfs/dbraw/zinc/81/86/35/582818635.db2.gz PUUMYCXXHDNOLB-JTQLQIEISA-N 0 0 194.274 2.378 10 30 AEEERN C=C(C)CCOC(=O)c1ccn(C)c1 763521423 582819141 /nfs/dbraw/zinc/81/91/41/582819141.db2.gz HJQNVKFFCICHAD-UHFFFAOYSA-N 0 0 193.246 2.148 10 30 AEEERN CC(C)[C@@H](C)OC(=O)C1(C#N)CCC1 763546528 582819160 /nfs/dbraw/zinc/81/91/60/582819160.db2.gz BURFLJUSQQHSIU-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCCNC(=O)[C@@H](CCC)C(C)C 763577066 582819384 /nfs/dbraw/zinc/81/93/84/582819384.db2.gz FNPTWYYVKJFXNN-NSHDSACASA-N 0 0 195.306 2.198 10 30 AEEERN C#CCCNC(=O)[C@H](CCC)C(C)C 763577064 582819568 /nfs/dbraw/zinc/81/95/68/582819568.db2.gz FNPTWYYVKJFXNN-LLVKDONJSA-N 0 0 195.306 2.198 10 30 AEEERN C#CCN(C(=O)CCCCC)C1CC1 763790282 582820075 /nfs/dbraw/zinc/82/00/75/582820075.db2.gz HXFBUISWZKZBLH-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCN(C(=O)CCC(C)C)C1CC1 763801032 582820341 /nfs/dbraw/zinc/82/03/41/582820341.db2.gz BAQCQQIPUBDERW-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(C(=O)CC(C)(C)C)C1CC1 763794925 582820410 /nfs/dbraw/zinc/82/04/10/582820410.db2.gz FUYSYAMDJCZKAN-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(CC)C(=O)C1(CC)CCC1 764208429 582821613 /nfs/dbraw/zinc/82/16/13/582821613.db2.gz FKPXITPUJABWGW-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN CC#CC(=O)N(CC)C1CCCCC1 764154472 582821619 /nfs/dbraw/zinc/82/16/19/582821619.db2.gz FGASDDQYZSXGIZ-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN CC#CC(=O)N(CC)CC(CC)CC 764275381 582821903 /nfs/dbraw/zinc/82/19/03/582821903.db2.gz DJEZXEYVKNYCBE-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C#CCCN(C)c1ccc(F)c(F)c1 764231552 582822733 /nfs/dbraw/zinc/82/27/33/582822733.db2.gz GGRQVUZKFRXXMY-UHFFFAOYSA-N 0 0 195.212 2.424 10 30 AEEERN CC#CC(=O)N(C1CC1)[C@@H](C)C(C)C 764435208 582823136 /nfs/dbraw/zinc/82/31/36/582823136.db2.gz BKPOPIVAQZHWNU-JTQLQIEISA-N 0 0 193.290 2.045 10 30 AEEERN CC#CC(=O)N(C1CC1)[C@H](C)C(C)C 764435209 582823248 /nfs/dbraw/zinc/82/32/48/582823248.db2.gz BKPOPIVAQZHWNU-SNVBAGLBSA-N 0 0 193.290 2.045 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C=C(CC)CC 767236449 582830221 /nfs/dbraw/zinc/83/02/21/582830221.db2.gz FVIPIKTYWRVQFV-SNVBAGLBSA-N 0 0 193.290 2.213 10 30 AEEERN C=CCCCC(=O)OC1CCOCC1 764768325 582824120 /nfs/dbraw/zinc/82/41/20/582824120.db2.gz HBLVIHRUBGHSRL-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)OCC(C)(C)CC#N 764844841 582824435 /nfs/dbraw/zinc/82/44/35/582824435.db2.gz WJHARXYWDSSYNB-IUCAKERBSA-N 0 0 195.262 2.125 10 30 AEEERN CC(C)(CC#N)COC(=O)C1CCC1 764834228 582824537 /nfs/dbraw/zinc/82/45/37/582824537.db2.gz RIDWEDKTYXGMFB-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)(CC#N)COC(=O)C1(C)CC1 764833052 582824739 /nfs/dbraw/zinc/82/47/39/582824739.db2.gz ALEOFMVNIABIBZ-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)OCC(C)(C)CC#N 764844738 582824817 /nfs/dbraw/zinc/82/48/17/582824817.db2.gz WJHARXYWDSSYNB-BDAKNGLRSA-N 0 0 195.262 2.125 10 30 AEEERN C/C=C(\C)C(=O)OCC(C)(C)CC#N 764835329 582824848 /nfs/dbraw/zinc/82/48/48/582824848.db2.gz RTPKMNQPJJHJJT-WEVVVXLNSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)OCC(C)(C)CC#N 764844842 582824857 /nfs/dbraw/zinc/82/48/57/582824857.db2.gz WJHARXYWDSSYNB-RKDXNWHRSA-N 0 0 195.262 2.125 10 30 AEEERN C=CCCC(=O)OCC(C)(C)CC#N 764834293 582824879 /nfs/dbraw/zinc/82/48/79/582824879.db2.gz GWVKDXXAGCBSQC-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN CC(C)(CC#N)COC(=O)CC1CC1 764829503 582824901 /nfs/dbraw/zinc/82/49/01/582824901.db2.gz ITWOSVNSQVYITO-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)=CC(=O)OCC(C)(C)CC#N 764844862 582824982 /nfs/dbraw/zinc/82/49/82/582824982.db2.gz XNNAIBMFZGZLAP-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C/C=C(/C)C(=O)OCC(C)(C)CC#N 764835328 582825080 /nfs/dbraw/zinc/82/50/80/582825080.db2.gz RTPKMNQPJJHJJT-UITAMQMPSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@H]1C[C@H]1C(=O)OCC(C)(C)CC#N 764844840 582825081 /nfs/dbraw/zinc/82/50/81/582825081.db2.gz WJHARXYWDSSYNB-DTWKUNHWSA-N 0 0 195.262 2.125 10 30 AEEERN CC1(C=NOC[C@H]2CCOC2)CCC1 766029779 582826203 /nfs/dbraw/zinc/82/62/03/582826203.db2.gz OQEIBYHESJMAGN-JTQLQIEISA-N 0 0 197.278 2.216 10 30 AEEERN CC1(CN=Nc2ncccn2)CCC1 766011744 582826231 /nfs/dbraw/zinc/82/62/31/582826231.db2.gz RVJBTLJWMCBKCJ-UHFFFAOYSA-N 0 0 190.250 2.065 10 30 AEEERN C/C=C(/C)C(=O)O[C@H](C#N)C(C)(C)C 765627916 582826412 /nfs/dbraw/zinc/82/64/12/582826412.db2.gz LWLUBHYGWOYVFR-JGAIRUGNSA-N 0 0 195.262 2.434 10 30 AEEERN CC1(CN=Nc2cnccn2)CCC1 766010055 582826475 /nfs/dbraw/zinc/82/64/75/582826475.db2.gz JJMDKIQNLHIQTL-UHFFFAOYSA-N 0 0 190.250 2.065 10 30 AEEERN C/C=C(\C)C(=O)O[C@H](C#N)C(C)(C)C 765627914 582826491 /nfs/dbraw/zinc/82/64/91/582826491.db2.gz LWLUBHYGWOYVFR-BNICOGTQSA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)(C)[C@@H](C#N)OC(=O)CC1CC1 765620746 582826495 /nfs/dbraw/zinc/82/64/95/582826495.db2.gz YAPJUXFABINOTO-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN COC(C)(C)CC=NNC1CCCC1 766015091 582826525 /nfs/dbraw/zinc/82/65/25/582826525.db2.gz XPKKPDMJGQQMNK-UHFFFAOYSA-N 0 0 198.310 2.320 10 30 AEEERN CC1(CN=Nc2cccnn2)CCC1 766019663 582826537 /nfs/dbraw/zinc/82/65/37/582826537.db2.gz IKCLWNYYRQDVBK-UHFFFAOYSA-N 0 0 190.250 2.065 10 30 AEEERN CC1(C=NOC[C@@H]2CCOC2)CCC1 766029780 582826547 /nfs/dbraw/zinc/82/65/47/582826547.db2.gz OQEIBYHESJMAGN-SNVBAGLBSA-N 0 0 197.278 2.216 10 30 AEEERN CC(C)(C)[C@H](C#N)OC(=O)CC1CC1 765620748 582826579 /nfs/dbraw/zinc/82/65/79/582826579.db2.gz YAPJUXFABINOTO-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@H](C)OC(=O)C(C)=C1CCCC1 765949671 582826831 /nfs/dbraw/zinc/82/68/31/582826831.db2.gz STXZPBFNBLKLPM-VIFPVBQESA-N 0 0 192.258 2.442 10 30 AEEERN C#C[C@@H](C)OC(=O)C(C)=C1CCCC1 765949670 582826840 /nfs/dbraw/zinc/82/68/40/582826840.db2.gz STXZPBFNBLKLPM-SECBINFHSA-N 0 0 192.258 2.442 10 30 AEEERN C/C=C(/C)C(=O)O[C@@H](C#N)C(C)(C)C 765627918 582827023 /nfs/dbraw/zinc/82/70/23/582827023.db2.gz LWLUBHYGWOYVFR-XZLDQRQTSA-N 0 0 195.262 2.434 10 30 AEEERN C/C=C(\C)C(=O)O[C@@H](C#N)C(C)(C)C 765627917 582827032 /nfs/dbraw/zinc/82/70/32/582827032.db2.gz LWLUBHYGWOYVFR-ORZBULNSSA-N 0 0 195.262 2.434 10 30 AEEERN CC1(C=NOC2CCOCC2)CCC1 766028828 582827564 /nfs/dbraw/zinc/82/75/64/582827564.db2.gz HQWWCTMUQIQTTI-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN CC#CCON=Cc1ccccc1C 766058619 582827722 /nfs/dbraw/zinc/82/77/22/582827722.db2.gz FJXWFBXJSHXXLA-UHFFFAOYSA-N 0 0 187.242 2.369 10 30 AEEERN CC1(CN=Nc2ccncc2)CCC1 766028612 582828007 /nfs/dbraw/zinc/82/80/07/582828007.db2.gz DFRUXGAQTNYCEA-UHFFFAOYSA-N 0 0 189.262 2.091 10 30 AEEERN C#CCCCN(C#N)c1ccccc1 766292007 582828868 /nfs/dbraw/zinc/82/88/68/582828868.db2.gz FQGLXESVDCUKEP-UHFFFAOYSA-N 0 0 184.242 2.387 10 30 AEEERN C#CCC(C)(C)C(=O)N(CC)CCC 767066996 582829463 /nfs/dbraw/zinc/82/94/63/582829463.db2.gz DFTREYLGANUFMQ-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C#CCN(CC)C(=O)[C@@H](C)CC(=C)C 767070638 582829490 /nfs/dbraw/zinc/82/94/90/582829490.db2.gz BZFXAKUWAXLQBL-NSHDSACASA-N 0 0 193.290 2.070 10 30 AEEERN C#CCN(CC)C(=O)[C@H](C)CC(=C)C 767070637 582829579 /nfs/dbraw/zinc/82/95/79/582829579.db2.gz BZFXAKUWAXLQBL-LLVKDONJSA-N 0 0 193.290 2.070 10 30 AEEERN C#CCC(C)(C)C(=O)O[C@@H](C)C1CC1 767114386 582829598 /nfs/dbraw/zinc/82/95/98/582829598.db2.gz MQTOJKSAPWJZGV-VIFPVBQESA-N 0 0 194.274 2.378 10 30 AEEERN C#CCN(CC)C(=O)C(C)(CC)CC 767077200 582829606 /nfs/dbraw/zinc/82/96/06/582829606.db2.gz GTMGCYDFCUYOFZ-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NOCC(C)C 767096443 582829687 /nfs/dbraw/zinc/82/96/87/582829687.db2.gz QRRUSUYXYCERPV-JTQLQIEISA-N 0 0 199.294 2.293 10 30 AEEERN C#CCCCNC(=O)[C@@H](C)CC(=C)C 767086369 582829706 /nfs/dbraw/zinc/82/97/06/582829706.db2.gz IBBOWCZCNPVPSI-NSHDSACASA-N 0 0 193.290 2.118 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NOCC(C)C 767096444 582829723 /nfs/dbraw/zinc/82/97/23/582829723.db2.gz QRRUSUYXYCERPV-SNVBAGLBSA-N 0 0 199.294 2.293 10 30 AEEERN C#CCCCNC(=O)[C@H](C)CC(=C)C 767086368 582829759 /nfs/dbraw/zinc/82/97/59/582829759.db2.gz IBBOWCZCNPVPSI-LLVKDONJSA-N 0 0 193.290 2.118 10 30 AEEERN C#CCC(C)(C)C(=O)N(C)C1CCC1 767095734 582829763 /nfs/dbraw/zinc/82/97/63/582829763.db2.gz HCNBVRPSBKGORL-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@H](C)CC(=C)C 767253448 582829964 /nfs/dbraw/zinc/82/99/64/582829964.db2.gz PYKIIPMRDZBQFX-MNOVXSKESA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C(C)(CC)CC 767252451 582830068 /nfs/dbraw/zinc/83/00/68/582830068.db2.gz ATHZTFZPUMZFQE-SNVBAGLBSA-N 0 0 195.306 2.293 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)[C@@H](C)CC(=C)C 767253452 582830182 /nfs/dbraw/zinc/83/01/82/582830182.db2.gz PYKIIPMRDZBQFX-WDEREUQCSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C(C)(CC)CC 767252449 582830215 /nfs/dbraw/zinc/83/02/15/582830215.db2.gz ATHZTFZPUMZFQE-JTQLQIEISA-N 0 0 195.306 2.293 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@H](C)[C@@H](C)CC 767252532 582830224 /nfs/dbraw/zinc/83/02/24/582830224.db2.gz BWWCGOMIQVGOJV-GARJFASQSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C1(CC)CCC1 767254122 582830229 /nfs/dbraw/zinc/83/02/29/582830229.db2.gz HLPCENPZIJCPDC-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@@H](C)CC(=C)C 767253450 582830249 /nfs/dbraw/zinc/83/02/49/582830249.db2.gz PYKIIPMRDZBQFX-QWRGUYRKSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C=C(CC)CC 767236448 582830287 /nfs/dbraw/zinc/83/02/87/582830287.db2.gz FVIPIKTYWRVQFV-JTQLQIEISA-N 0 0 193.290 2.213 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)[C@@H](C)CC(C)C 767301163 582830508 /nfs/dbraw/zinc/83/05/08/582830508.db2.gz FPYUVGRHTKIIMV-WDEREUQCSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@@H](C)[C@@H](C)CC 767252530 582830310 /nfs/dbraw/zinc/83/03/10/582830310.db2.gz BWWCGOMIQVGOJV-DCAQKATOSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)[C@H](C)CC(=C)C 767253447 582830320 /nfs/dbraw/zinc/83/03/20/582830320.db2.gz PYKIIPMRDZBQFX-GHMZBOCLSA-N 0 0 193.290 2.069 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C1(CC)CCC1 767254123 582830343 /nfs/dbraw/zinc/83/03/43/582830343.db2.gz HLPCENPZIJCPDC-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@@H](C)[C@H](C)CC 767252534 582830360 /nfs/dbraw/zinc/83/03/60/582830360.db2.gz BWWCGOMIQVGOJV-VWYCJHECSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C1(CCC)CC1 767236390 582830363 /nfs/dbraw/zinc/83/03/63/582830363.db2.gz CMUOSBOIUYYORK-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@H](C)[C@H](C)CC 767252533 582830365 /nfs/dbraw/zinc/83/03/65/582830365.db2.gz BWWCGOMIQVGOJV-OUAUKWLOSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C1(CCC)CC1 767236391 582830367 /nfs/dbraw/zinc/83/03/67/582830367.db2.gz CMUOSBOIUYYORK-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H](C)N(C)C(=O)C(C)(C)C(C)C 767301137 582830497 /nfs/dbraw/zinc/83/04/97/582830497.db2.gz FLEJUVBYLIKBRO-JTQLQIEISA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@@H](C)CC(C)C 767301162 582830900 /nfs/dbraw/zinc/83/09/00/582830900.db2.gz FPYUVGRHTKIIMV-QWRGUYRKSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@@H](OC(=O)/C=C/CCC)C1CC1 767525365 582832559 /nfs/dbraw/zinc/83/25/59/582832559.db2.gz YHFDODGZFRCWCJ-XUIVZRPNSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](OC(=O)C1(C)CCC1)C1CC1 767523041 582832561 /nfs/dbraw/zinc/83/25/61/582832561.db2.gz ZNAHEESZEPUEBC-SNVBAGLBSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)[C@H](C)CC(C)C 767301160 582831032 /nfs/dbraw/zinc/83/10/32/582831032.db2.gz FPYUVGRHTKIIMV-GHMZBOCLSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)C(C)(C)C(C)C 767301138 582831201 /nfs/dbraw/zinc/83/12/01/582831201.db2.gz FLEJUVBYLIKBRO-SNVBAGLBSA-N 0 0 195.306 2.149 10 30 AEEERN C#C[C@H](C)N(C)C(=O)[C@H](C)CC(C)C 767301161 582831426 /nfs/dbraw/zinc/83/14/26/582831426.db2.gz FPYUVGRHTKIIMV-MNOVXSKESA-N 0 0 195.306 2.149 10 30 AEEERN CC[C@H](C)OC(=O)C1(C#N)CC(C)C1 767421502 582831642 /nfs/dbraw/zinc/83/16/42/582831642.db2.gz FOWKDLQKSGZESO-YUCVTWSNSA-N 0 0 195.262 2.268 10 30 AEEERN C=C(C)COC(=O)C1(C#N)CC(C)C1 767420943 582831668 /nfs/dbraw/zinc/83/16/68/582831668.db2.gz AIMVPETYDAXRMI-UHFFFAOYSA-N 0 0 193.246 2.046 10 30 AEEERN C#CCC(C)(C)c1nc(C2CC2)no1 767422123 582831702 /nfs/dbraw/zinc/83/17/02/582831702.db2.gz CTLPJBQBQHEMSD-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN C=CCCOC(=O)C1(C#N)CC(C)C1 767421556 582831753 /nfs/dbraw/zinc/83/17/53/582831753.db2.gz GGZMMUZIUPMYAT-UHFFFAOYSA-N 0 0 193.246 2.046 10 30 AEEERN CC[C@@H](C)OC(=O)C1(C#N)CC(C)C1 767421499 582831770 /nfs/dbraw/zinc/83/17/70/582831770.db2.gz FOWKDLQKSGZESO-INWMGODYSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@H](CC)OC(=O)CCCC#CC 768051295 582833524 /nfs/dbraw/zinc/83/35/24/582833524.db2.gz ULXCXYFNNIIGFB-LLVKDONJSA-N 0 0 192.258 2.135 10 30 AEEERN C#C[C@@H](OC(=O)/C(C)=C\CC)C1CC1 767527700 582831977 /nfs/dbraw/zinc/83/19/77/582831977.db2.gz VVEHTCAQIDIJSU-DHHDDZJSSA-N 0 0 192.258 2.298 10 30 AEEERN CON=C(C)c1ccc(OC)c(F)c1 767489045 582831981 /nfs/dbraw/zinc/83/19/81/582831981.db2.gz FHSYECAYVMCTRJ-UHFFFAOYSA-N 0 0 197.209 2.205 10 30 AEEERN C#C[C@H](OC(=O)C=C1CCC1)C1CC1 767525288 582831984 /nfs/dbraw/zinc/83/19/84/582831984.db2.gz UHGCBYUOPVQUCF-NSHDSACASA-N 0 0 190.242 2.052 10 30 AEEERN C#C[C@@H](OC(=O)[C@H](C)C(C)C)C1CC1 767521656 582831989 /nfs/dbraw/zinc/83/19/89/582831989.db2.gz BCIRWUNZZRKYDL-MWLCHTKSSA-N 0 0 194.274 2.234 10 30 AEEERN CON=C(C)c1ccc(C)cc1OC 767488947 582832003 /nfs/dbraw/zinc/83/20/03/582832003.db2.gz COPTXPLFBKBYPP-UHFFFAOYSA-N 0 0 193.246 2.374 10 30 AEEERN C#C[C@@H](OC(=O)C(C)(C)CC)C1CC1 767521118 582832018 /nfs/dbraw/zinc/83/20/18/582832018.db2.gz IZYKAEKUJNLWQY-SNVBAGLBSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](OC(=O)C=C1CCC1)C1CC1 767525285 582832031 /nfs/dbraw/zinc/83/20/31/582832031.db2.gz UHGCBYUOPVQUCF-LLVKDONJSA-N 0 0 190.242 2.052 10 30 AEEERN C#C[C@H](OC(=O)/C(C)=C/CC)C1CC1 767527703 582832070 /nfs/dbraw/zinc/83/20/70/582832070.db2.gz VVEHTCAQIDIJSU-LAHYYIKRSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](OC(=O)[C@H](C)CCC)C1CC1 767522324 582832072 /nfs/dbraw/zinc/83/20/72/582832072.db2.gz GXCXOZZSMKILNH-KOLCDFICSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](OC(=O)CC1CCC1)C1CC1 767526978 582832103 /nfs/dbraw/zinc/83/21/03/582832103.db2.gz NHJHLONANMQXGJ-NSHDSACASA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](OC(=O)/C(C)=C/CC)C1CC1 767527935 582832123 /nfs/dbraw/zinc/83/21/23/582832123.db2.gz VVEHTCAQIDIJSU-OALRPVAKSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](OC(=O)[C@@H](C)C(C)C)C1CC1 767521657 582832149 /nfs/dbraw/zinc/83/21/49/582832149.db2.gz BCIRWUNZZRKYDL-ONGXEEELSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@H](OC(=O)C1=CCCC1)C1CC1 767523509 582832151 /nfs/dbraw/zinc/83/21/51/582832151.db2.gz DTUYGSDKVPUDFJ-NSHDSACASA-N 0 0 190.242 2.052 10 30 AEEERN C#C[C@@H](OC(=O)[C@@H](C)CCC)C1CC1 767522322 582832234 /nfs/dbraw/zinc/83/22/34/582832234.db2.gz GXCXOZZSMKILNH-GXSJLCMTSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](OC(=O)C1(CC)CC1)C1CC1 767523023 582832299 /nfs/dbraw/zinc/83/22/99/582832299.db2.gz AIGXZZBZEHEDCN-JTQLQIEISA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](OC(=O)CCCC=C)C1CC1 767529860 582832321 /nfs/dbraw/zinc/83/23/21/582832321.db2.gz VAIHGWSJZCWMQD-NSHDSACASA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](OC(=O)CCCC=C)C1CC1 767529858 582832360 /nfs/dbraw/zinc/83/23/60/582832360.db2.gz VAIHGWSJZCWMQD-LLVKDONJSA-N 0 0 192.258 2.298 10 30 AEEERN C=CCCCOC(=O)Cc1ccco1 767509610 582832377 /nfs/dbraw/zinc/83/23/77/582832377.db2.gz FBOFKHLCDGZIFM-UHFFFAOYSA-N 0 0 194.230 2.332 10 30 AEEERN C#C[C@@H](OC(=O)CCC1CC1)C1CC1 767527908 582832384 /nfs/dbraw/zinc/83/23/84/582832384.db2.gz DLDISONKCWLLSZ-LLVKDONJSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](OC(=O)/C=C\CCC)C1CC1 767525363 582832453 /nfs/dbraw/zinc/83/24/53/582832453.db2.gz YHFDODGZFRCWCJ-JMEBYUIHSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](OC(=O)C(C)(C)CC)C1CC1 767521117 582832478 /nfs/dbraw/zinc/83/24/78/582832478.db2.gz IZYKAEKUJNLWQY-JTQLQIEISA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](OC(=O)/C(C)=C\CC)C1CC1 767527936 582832531 /nfs/dbraw/zinc/83/25/31/582832531.db2.gz VVEHTCAQIDIJSU-WDDYJBPVSA-N 0 0 192.258 2.298 10 30 AEEERN CCOc1ccc(C(C)=NOC)cc1 767489663 582832535 /nfs/dbraw/zinc/83/25/35/582832535.db2.gz DSCVCRUBTSWISE-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN C#C[C@H](OC(=O)[C@H](C)C(C)C)C1CC1 767521655 582832542 /nfs/dbraw/zinc/83/25/42/582832542.db2.gz BCIRWUNZZRKYDL-KOLCDFICSA-N 0 0 194.274 2.234 10 30 AEEERN CON=C(C)Cc1ccccc1OC 767489737 582832552 /nfs/dbraw/zinc/83/25/52/582832552.db2.gz GCGZIWYRXORREV-UHFFFAOYSA-N 0 0 193.246 2.260 10 30 AEEERN C#C[C@@H](OC(=O)[C@H](C)CCC)C1CC1 767522325 582832571 /nfs/dbraw/zinc/83/25/71/582832571.db2.gz GXCXOZZSMKILNH-MWLCHTKSSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](OC(=O)CC1CCC1)C1CC1 767526977 582832574 /nfs/dbraw/zinc/83/25/74/582832574.db2.gz NHJHLONANMQXGJ-LLVKDONJSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](OC(=O)[C@@H](C)C(C)C)C1CC1 767521654 582832584 /nfs/dbraw/zinc/83/25/84/582832584.db2.gz BCIRWUNZZRKYDL-GXSJLCMTSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@@H](OC(=O)C1(CC)CC1)C1CC1 767523024 582832598 /nfs/dbraw/zinc/83/25/98/582832598.db2.gz AIGXZZBZEHEDCN-SNVBAGLBSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](OC(=O)/C=C/CCC)C1CC1 767525364 582832617 /nfs/dbraw/zinc/83/26/17/582832617.db2.gz YHFDODGZFRCWCJ-MLRMMBSGSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](OC(=O)/C=C\CCC)C1CC1 767525366 582832643 /nfs/dbraw/zinc/83/26/43/582832643.db2.gz YHFDODGZFRCWCJ-ZADCQDASSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](OC(=O)C1=CCCC1)C1CC1 767523508 582832648 /nfs/dbraw/zinc/83/26/48/582832648.db2.gz DTUYGSDKVPUDFJ-LLVKDONJSA-N 0 0 190.242 2.052 10 30 AEEERN C#C[C@H](OC(=O)[C@@H](C)CCC)C1CC1 767522326 582832661 /nfs/dbraw/zinc/83/26/61/582832661.db2.gz GXCXOZZSMKILNH-ONGXEEELSA-N 0 0 194.274 2.378 10 30 AEEERN C=CCOc1cccc(C=NOC)c1 767489735 582832664 /nfs/dbraw/zinc/83/26/64/582832664.db2.gz FULSTERZRURXQL-UHFFFAOYSA-N 0 0 191.230 2.232 10 30 AEEERN C#C[C@H](OC(=O)C1(C)CCC1)C1CC1 767523038 582832706 /nfs/dbraw/zinc/83/27/06/582832706.db2.gz ZNAHEESZEPUEBC-JTQLQIEISA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](OC(=O)CCC1CC1)C1CC1 767527909 582832710 /nfs/dbraw/zinc/83/27/10/582832710.db2.gz DLDISONKCWLLSZ-NSHDSACASA-N 0 0 192.258 2.132 10 30 AEEERN CC#CCCCC(=O)OC[C@@H]1C[C@@H]1C 767965692 582832996 /nfs/dbraw/zinc/83/29/96/582832996.db2.gz JMHZPNRMTLNZEL-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCCC(=O)OC[C@H]1C[C@H]1C 767965690 582833138 /nfs/dbraw/zinc/83/31/38/582833138.db2.gz JMHZPNRMTLNZEL-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCCC(=O)OC[C@H]1C[C@@H]1C 767965693 582833202 /nfs/dbraw/zinc/83/32/02/582833202.db2.gz JMHZPNRMTLNZEL-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCCC(=O)OC[C@@H]1C[C@H]1C 767965691 582833204 /nfs/dbraw/zinc/83/32/04/582833204.db2.gz JMHZPNRMTLNZEL-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1CC12CCC2 768050370 582833510 /nfs/dbraw/zinc/83/35/10/582833510.db2.gz QTHNMJQBHIORFS-NXEZZACHSA-N 0 0 192.258 2.132 10 30 AEEERN CC#CCCCCOC(=O)[C@@H]1C[C@@H]1C 768112627 582833529 /nfs/dbraw/zinc/83/35/29/582833529.db2.gz BSEHCBOTVHWEPZ-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@H](CC)OC(=O)C1=C(C)CCC1 768048492 582833551 /nfs/dbraw/zinc/83/35/51/582833551.db2.gz MSDHYZCWBKFJQW-SNVBAGLBSA-N 0 0 192.258 2.442 10 30 AEEERN CC(C)=CC(=O)OCC1(C#N)CCC1 768076833 582833572 /nfs/dbraw/zinc/83/35/72/582833572.db2.gz CQQFSQVDRSVZKB-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN CC#CCCCCOC(=O)[C@@H]1C[C@H]1C 768112623 582833591 /nfs/dbraw/zinc/83/35/91/582833591.db2.gz BSEHCBOTVHWEPZ-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C(\C)C1CC1 768052071 582833617 /nfs/dbraw/zinc/83/36/17/582833617.db2.gz YOKACUWPRGTROG-ANYFNZRUSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)C[C@@H]1C=CCC1 768051748 582833625 /nfs/dbraw/zinc/83/36/25/582833625.db2.gz WVJPOEPHRLAZPY-GHMZBOCLSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)C[C@@H]1C=CCC1 768051749 582833634 /nfs/dbraw/zinc/83/36/34/582833634.db2.gz WVJPOEPHRLAZPY-MNOVXSKESA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)c1ccc(C)o1 768053610 582833646 /nfs/dbraw/zinc/83/36/46/582833646.db2.gz BHDAWQZEJVRHMM-SECBINFHSA-N 0 0 192.214 2.157 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@H]1CC=CCC1 768054610 582833665 /nfs/dbraw/zinc/83/36/65/582833665.db2.gz DAKTUZPZUMNBIL-QWRGUYRKSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1=C(C)CCC1 768048489 582833697 /nfs/dbraw/zinc/83/36/97/582833697.db2.gz MSDHYZCWBKFJQW-JTQLQIEISA-N 0 0 192.258 2.442 10 30 AEEERN C#C[C@H](CC)OC(=O)C[C@H](C)C1CC1 768061716 582833748 /nfs/dbraw/zinc/83/37/48/582833748.db2.gz YLFRKTDXNCFUSU-GXSJLCMTSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1CC=CCC1 768054611 582833787 /nfs/dbraw/zinc/83/37/87/582833787.db2.gz DAKTUZPZUMNBIL-WDEREUQCSA-N 0 0 192.258 2.298 10 30 AEEERN CC#CCCCCOC(=O)[C@H]1C[C@H]1C 768112624 582833791 /nfs/dbraw/zinc/83/37/91/582833791.db2.gz BSEHCBOTVHWEPZ-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCCCOC(=O)[C@H]1C[C@@H]1C 768112626 582833801 /nfs/dbraw/zinc/83/38/01/582833801.db2.gz BSEHCBOTVHWEPZ-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@@H](CC)OC(=O)C[C@@H](C)C1CC1 768061718 582833821 /nfs/dbraw/zinc/83/38/21/582833821.db2.gz YLFRKTDXNCFUSU-KOLCDFICSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@H]1CC12CCC2 768050372 582833826 /nfs/dbraw/zinc/83/38/26/582833826.db2.gz QTHNMJQBHIORFS-VHSXEESVSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](CC)OC(=O)C=C1CCCC1 768050785 582833834 /nfs/dbraw/zinc/83/38/34/582833834.db2.gz WJAQYRQEWWDIFH-LLVKDONJSA-N 0 0 192.258 2.442 10 30 AEEERN C#C[C@H](CC)OC(=O)C[C@@H](C)C1CC1 768061719 582833845 /nfs/dbraw/zinc/83/38/45/582833845.db2.gz YLFRKTDXNCFUSU-MWLCHTKSSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)C=C1CCCC1 768050786 582833849 /nfs/dbraw/zinc/83/38/49/582833849.db2.gz WJAQYRQEWWDIFH-NSHDSACASA-N 0 0 192.258 2.442 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C(/C)C1CC1 768052073 582833852 /nfs/dbraw/zinc/83/38/52/582833852.db2.gz YOKACUWPRGTROG-IQQGHNRFSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@H]1CC=CCC1 768054609 582833868 /nfs/dbraw/zinc/83/38/68/582833868.db2.gz DAKTUZPZUMNBIL-MNOVXSKESA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)c1occc1C 768059739 582833869 /nfs/dbraw/zinc/83/38/69/582833869.db2.gz QEVGRHKGQMDRNK-SECBINFHSA-N 0 0 192.214 2.157 10 30 AEEERN C#C[C@@H](CC)OC(=O)C[C@H](C)C1CC1 768061721 582833896 /nfs/dbraw/zinc/83/38/96/582833896.db2.gz YLFRKTDXNCFUSU-ONGXEEELSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C(\C)C1CC1 768052072 582833918 /nfs/dbraw/zinc/83/39/18/582833918.db2.gz YOKACUWPRGTROG-FBOQAHMBSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1CC12CCC2 768050374 582833953 /nfs/dbraw/zinc/83/39/53/582833953.db2.gz QTHNMJQBHIORFS-ZJUUUORDSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1ccc(C)o1 768053611 582833959 /nfs/dbraw/zinc/83/39/59/582833959.db2.gz BHDAWQZEJVRHMM-VIFPVBQESA-N 0 0 192.214 2.157 10 30 AEEERN C#C[C@@H](CC)OC(=O)C[C@H]1C=CCC1 768051750 582833977 /nfs/dbraw/zinc/83/39/77/582833977.db2.gz WVJPOEPHRLAZPY-QWRGUYRKSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1occc1C 768059740 582833986 /nfs/dbraw/zinc/83/39/86/582833986.db2.gz QEVGRHKGQMDRNK-VIFPVBQESA-N 0 0 192.214 2.157 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C(/C)C1CC1 768052076 582834000 /nfs/dbraw/zinc/83/40/00/582834000.db2.gz YOKACUWPRGTROG-TYBABMIJSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](CC)OC(=O)C[C@H]1C=CCC1 768051751 582834006 /nfs/dbraw/zinc/83/40/06/582834006.db2.gz WVJPOEPHRLAZPY-WDEREUQCSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@H]1CC12CCC2 768050371 582834026 /nfs/dbraw/zinc/83/40/26/582834026.db2.gz QTHNMJQBHIORFS-UWVGGRQHSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1CC=CCC1 768054608 582834091 /nfs/dbraw/zinc/83/40/91/582834091.db2.gz DAKTUZPZUMNBIL-GHMZBOCLSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)c1cc(C)c(C)o1 768176438 582834239 /nfs/dbraw/zinc/83/42/39/582834239.db2.gz QAIORSNRUKENPM-QMMMGPOBSA-N 0 0 192.214 2.075 10 30 AEEERN C=CCOC(=O)c1oc(CC)cc1C 768133230 582834294 /nfs/dbraw/zinc/83/42/94/582834294.db2.gz XJUFUTQERVOWCE-UHFFFAOYSA-N 0 0 194.230 2.493 10 30 AEEERN C=CC1CCN(C(=O)C(C)(C)F)CC1 768401266 582834638 /nfs/dbraw/zinc/83/46/38/582834638.db2.gz DZIOIFQKAQTDQR-UHFFFAOYSA-N 0 0 199.269 2.159 10 30 AEEERN C#C[C@@H](C)OC(=O)c1cc(C)c(C)o1 768176434 582834707 /nfs/dbraw/zinc/83/47/07/582834707.db2.gz QAIORSNRUKENPM-MRVPVSSYSA-N 0 0 192.214 2.075 10 30 AEEERN C#CC(C)(C)NC(=O)[C@@H](C)CC(=C)C 768147905 582834776 /nfs/dbraw/zinc/83/47/76/582834776.db2.gz YVZGUQSRDXDLQM-JTQLQIEISA-N 0 0 193.290 2.117 10 30 AEEERN C#CC(C)(C)NC(=O)[C@H](C)CC(=C)C 768147907 582835114 /nfs/dbraw/zinc/83/51/14/582835114.db2.gz YVZGUQSRDXDLQM-SNVBAGLBSA-N 0 0 193.290 2.117 10 30 AEEERN C=CCCOC(=O)c1cnccc1C 768768672 582835704 /nfs/dbraw/zinc/83/57/04/582835704.db2.gz DESYCZMORCQJMW-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN C#CC(=O)NCCC1=CCCCCC1 768550446 582835771 /nfs/dbraw/zinc/83/57/71/582835771.db2.gz GSIYTRDRRSGPCL-UHFFFAOYSA-N 0 0 191.274 2.016 10 30 AEEERN C#CCC[N@@H+](C)[C@@H](C)c1ccccn1 768732501 582836152 /nfs/dbraw/zinc/83/61/52/582836152.db2.gz GDONDZCDJXJFIO-NSHDSACASA-N 0 0 188.274 2.098 10 30 AEEERN C#CCC[N@@H+](C)[C@H](C)c1ccccn1 768732457 582836286 /nfs/dbraw/zinc/83/62/86/582836286.db2.gz GDONDZCDJXJFIO-LLVKDONJSA-N 0 0 188.274 2.098 10 30 AEEERN C=CCCOC(=O)c1ccn(C)c1C 798727933 582931734 /nfs/dbraw/zinc/93/17/34/582931734.db2.gz XHJNZTDCKLNIPT-UHFFFAOYSA-N 0 0 193.246 2.066 10 30 AEEERN C=CC[C@@H](CC)NC(=O)/C=C\C1CC1 798554528 582931737 /nfs/dbraw/zinc/93/17/37/582931737.db2.gz QHTUMIYNOBNWIR-TYBABMIJSA-N 0 0 193.290 2.424 10 30 AEEERN C#CCC(C)(C)COC(=O)[C@H]1C[C@@H]1C 769315640 582838810 /nfs/dbraw/zinc/83/88/10/582838810.db2.gz RGRIIDVNCHNXLZ-UWVGGRQHSA-N 0 0 194.274 2.235 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H]1CCC[C@@H]1C 769300131 582838895 /nfs/dbraw/zinc/83/88/95/582838895.db2.gz NEHOCIRNDCSOTM-DCAQKATOSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCCCCOC(=O)[C@H]1C[C@@H]1C 769310723 582838926 /nfs/dbraw/zinc/83/89/26/582838926.db2.gz CQFXFLPZSRSXMF-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)O[C@H](C)C(C)(C)C#N 769305979 582839006 /nfs/dbraw/zinc/83/90/06/582839006.db2.gz MYZRRADCUPZLDX-YIZRAAEISA-N 0 0 195.262 2.124 10 30 AEEERN C#CC[C@@H](OC(=O)[C@H]1C[C@@H]1C)C(C)C 769303961 582839030 /nfs/dbraw/zinc/83/90/30/582839030.db2.gz PMQIDBQOTFQFJL-GARJFASQSA-N 0 0 194.274 2.234 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)O[C@@H](C#N)C(C)(C)C 769312478 582839069 /nfs/dbraw/zinc/83/90/69/582839069.db2.gz JGXFOSJSSLTHEN-CIUDSAMLSA-N 0 0 195.262 2.124 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H]1CCC[C@@H]1C 769300132 582839119 /nfs/dbraw/zinc/83/91/19/582839119.db2.gz NEHOCIRNDCSOTM-GARJFASQSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H]1CCC[C@H]1C 769300133 582839228 /nfs/dbraw/zinc/83/92/28/582839228.db2.gz NEHOCIRNDCSOTM-OUAUKWLOSA-N 0 0 194.274 2.378 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)O[C@H](C#N)C(C)(C)C 769312480 582839284 /nfs/dbraw/zinc/83/92/84/582839284.db2.gz JGXFOSJSSLTHEN-XHNCKOQMSA-N 0 0 195.262 2.124 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H]1CCC[C@H]1C 769300134 582839421 /nfs/dbraw/zinc/83/94/21/582839421.db2.gz NEHOCIRNDCSOTM-VWYCJHECSA-N 0 0 194.274 2.378 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(C)(C)C#N 769305976 582839526 /nfs/dbraw/zinc/83/95/26/582839526.db2.gz MYZRRADCUPZLDX-CIUDSAMLSA-N 0 0 195.262 2.124 10 30 AEEERN C[C@@H](CC(=O)OC[C@H](C)C#N)C1CC1 770935298 582842975 /nfs/dbraw/zinc/84/29/75/582842975.db2.gz CRVLSYGWLKFPMR-BDAKNGLRSA-N 0 0 195.262 2.125 10 30 AEEERN C#CC[C@@H](OC(=O)/C(C)=C/C)C1CC1 770744027 582841914 /nfs/dbraw/zinc/84/19/14/582841914.db2.gz PAFQPYQMEGIXGV-FZPLPXEFSA-N 0 0 192.258 2.298 10 30 AEEERN C#CC[C@H](OC(=O)/C(C)=C\C)C1CC1 770744028 582841942 /nfs/dbraw/zinc/84/19/42/582841942.db2.gz PAFQPYQMEGIXGV-GWZUUTHWSA-N 0 0 192.258 2.298 10 30 AEEERN C[C@H](C#N)COC(=O)C1CCCCC1 770735046 582842119 /nfs/dbraw/zinc/84/21/19/582842119.db2.gz ZZYMTUISXUTHTI-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C[C@@H](C#N)COC(=O)CC1CCCC1 770744521 582842129 /nfs/dbraw/zinc/84/21/29/582842129.db2.gz VJLVHZCLHOAOOZ-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C#CC[C@@H](OC(=O)/C(C)=C\C)C1CC1 770744032 582842146 /nfs/dbraw/zinc/84/21/46/582842146.db2.gz PAFQPYQMEGIXGV-YOOZJCNJSA-N 0 0 192.258 2.298 10 30 AEEERN C[C@@H](C#N)COC(=O)C1CCCCC1 770735048 582842207 /nfs/dbraw/zinc/84/22/07/582842207.db2.gz ZZYMTUISXUTHTI-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](C#N)COC(=O)c1ccccc1 770745030 582842292 /nfs/dbraw/zinc/84/22/92/582842292.db2.gz ZGZNPPHCKDVITC-SECBINFHSA-N 0 0 189.214 2.003 10 30 AEEERN C[C@H](C#N)COC(=O)CC1CCCC1 770744515 582842395 /nfs/dbraw/zinc/84/23/95/582842395.db2.gz VJLVHZCLHOAOOZ-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C#CC[C@H](OC(=O)/C(C)=C/C)C1CC1 770744031 582842420 /nfs/dbraw/zinc/84/24/20/582842420.db2.gz PAFQPYQMEGIXGV-NKLKJHRZSA-N 0 0 192.258 2.298 10 30 AEEERN C[C@@H](C#N)COC(=O)c1ccccc1 770745031 582842469 /nfs/dbraw/zinc/84/24/69/582842469.db2.gz ZGZNPPHCKDVITC-VIFPVBQESA-N 0 0 189.214 2.003 10 30 AEEERN CCC/C(C)=C\C(=O)OC[C@H](C)C#N 770930291 582842700 /nfs/dbraw/zinc/84/27/00/582842700.db2.gz DJDSGIJGDIBWTE-ABRRARGCSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@H](C(=O)OC[C@H](C)C#N)C(C)(C)C 770928538 582842747 /nfs/dbraw/zinc/84/27/47/582842747.db2.gz GQLOKXBKLWQLKV-RKDXNWHRSA-N 0 0 197.278 2.371 10 30 AEEERN C[C@@H](C#N)COC(=O)C[C@H]1C=CCC1 770931080 582842766 /nfs/dbraw/zinc/84/27/66/582842766.db2.gz GYGJMFGJXKNFRY-UWVGGRQHSA-N 0 0 193.246 2.046 10 30 AEEERN C[C@@H](C#N)COC(=O)C[C@@H](C)C1CC1 770935299 582842774 /nfs/dbraw/zinc/84/27/74/582842774.db2.gz CRVLSYGWLKFPMR-DTWKUNHWSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H](C#N)COC(=O)/C=C/C(C)(C)C 770935328 582842814 /nfs/dbraw/zinc/84/28/14/582842814.db2.gz CVAANWKZWPNEDM-VUHVRTRXSA-N 0 0 195.262 2.292 10 30 AEEERN C[C@H](C#N)COC(=O)/C=C\C(C)(C)C 770935325 582842849 /nfs/dbraw/zinc/84/28/49/582842849.db2.gz CVAANWKZWPNEDM-SSJHQANKSA-N 0 0 195.262 2.292 10 30 AEEERN CCCC1(C(=O)OC[C@@H](C)C#N)CC1 770947156 582842851 /nfs/dbraw/zinc/84/28/51/582842851.db2.gz GCKLLYMDTQRUJO-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](C#N)COC(=O)C=C1CCCC1 770937608 582842867 /nfs/dbraw/zinc/84/28/67/582842867.db2.gz PMEIWPYDTGPWNC-SECBINFHSA-N 0 0 193.246 2.190 10 30 AEEERN C[C@@H](C#N)COC(=O)[C@H](C)C(C)(C)C 770928534 582842875 /nfs/dbraw/zinc/84/28/75/582842875.db2.gz GQLOKXBKLWQLKV-IUCAKERBSA-N 0 0 197.278 2.371 10 30 AEEERN C#C[C@H](C)NC(=O)CC1(C)CCCC1 809778900 582962086 /nfs/dbraw/zinc/96/20/86/582962086.db2.gz XKALHIGTFDFKBK-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN C[C@@H](C#N)COC(=O)C1(C)CCCC1 770929034 582842899 /nfs/dbraw/zinc/84/28/99/582842899.db2.gz MVHNQTUYLUVKDB-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@@H](C#N)COC(=O)C[C@H](C)C1CC1 770935300 582842939 /nfs/dbraw/zinc/84/29/39/582842939.db2.gz CRVLSYGWLKFPMR-IUCAKERBSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H](C#N)COC(=O)C[C@H]1C=CCC1 770931083 582842961 /nfs/dbraw/zinc/84/29/61/582842961.db2.gz GYGJMFGJXKNFRY-ZJUUUORDSA-N 0 0 193.246 2.046 10 30 AEEERN C[C@H](C#N)COC(=O)[C@H](C)C(C)(C)C 770928528 582842985 /nfs/dbraw/zinc/84/29/85/582842985.db2.gz GQLOKXBKLWQLKV-BDAKNGLRSA-N 0 0 197.278 2.371 10 30 AEEERN CCC/C(C)=C/C(=O)OC[C@@H](C)C#N 770930324 582842994 /nfs/dbraw/zinc/84/29/94/582842994.db2.gz DJDSGIJGDIBWTE-ZKXNXJMVSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@@H](C#N)COC(=O)/C=C\C(C)(C)C 770935326 582843011 /nfs/dbraw/zinc/84/30/11/582843011.db2.gz CVAANWKZWPNEDM-UDIARPCQSA-N 0 0 195.262 2.292 10 30 AEEERN C[C@@H](C#N)COC(=O)C[C@@H]1C=CCC1 770931082 582843012 /nfs/dbraw/zinc/84/30/12/582843012.db2.gz GYGJMFGJXKNFRY-VHSXEESVSA-N 0 0 193.246 2.046 10 30 AEEERN C[C@@H](C#N)COC(=O)C=C1CCCC1 770937612 582843013 /nfs/dbraw/zinc/84/30/13/582843013.db2.gz PMEIWPYDTGPWNC-VIFPVBQESA-N 0 0 193.246 2.190 10 30 AEEERN C[C@@H](C#N)COC(=O)[C@@H](C)C(C)(C)C 770928533 582843057 /nfs/dbraw/zinc/84/30/57/582843057.db2.gz GQLOKXBKLWQLKV-DTWKUNHWSA-N 0 0 197.278 2.371 10 30 AEEERN C[C@@H](C#N)COC(=O)/C=C/C(C)(C)C 770935323 582843080 /nfs/dbraw/zinc/84/30/80/582843080.db2.gz CVAANWKZWPNEDM-CYNONHLPSA-N 0 0 195.262 2.292 10 30 AEEERN CCC/C(C)=C\C(=O)OC[C@@H](C)C#N 770930297 582843136 /nfs/dbraw/zinc/84/31/36/582843136.db2.gz DJDSGIJGDIBWTE-MBACFSSFSA-N 0 0 195.262 2.436 10 30 AEEERN CCC/C(C)=C/C(=O)OC[C@H](C)C#N 770930318 582843235 /nfs/dbraw/zinc/84/32/35/582843235.db2.gz DJDSGIJGDIBWTE-OLKPEBQYSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@H](C#N)COC(=O)C[C@@H](C)C1CC1 770935301 582843241 /nfs/dbraw/zinc/84/32/41/582843241.db2.gz CRVLSYGWLKFPMR-RKDXNWHRSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H](C#N)COC(=O)C1(C)CCCC1 770929033 582843253 /nfs/dbraw/zinc/84/32/53/582843253.db2.gz MVHNQTUYLUVKDB-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CCCC1(C(=O)OC[C@H](C)C#N)CC1 770947155 582843276 /nfs/dbraw/zinc/84/32/76/582843276.db2.gz GCKLLYMDTQRUJO-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](C#N)COC(=O)C[C@@H]1C=CCC1 770931078 582843286 /nfs/dbraw/zinc/84/32/86/582843286.db2.gz GYGJMFGJXKNFRY-NXEZZACHSA-N 0 0 193.246 2.046 10 30 AEEERN CCC(=CC(=O)OC[C@@H](C)C#N)CC 770934592 582843300 /nfs/dbraw/zinc/84/33/00/582843300.db2.gz XXDBWYHTXVYYNK-VIFPVBQESA-N 0 0 195.262 2.436 10 30 AEEERN CCC(=CC(=O)OC[C@H](C)C#N)CC 770934590 582843311 /nfs/dbraw/zinc/84/33/11/582843311.db2.gz XXDBWYHTXVYYNK-SECBINFHSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@H](C#N)COC(=O)CCC1CCC1 770945414 582843590 /nfs/dbraw/zinc/84/35/90/582843590.db2.gz VONNXRRLOHDGEL-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C[C@@H](C#N)COC(=O)CCC1CCC1 770945416 582843600 /nfs/dbraw/zinc/84/36/00/582843600.db2.gz VONNXRRLOHDGEL-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C/C(=C/C(=O)OC[C@H](C)C#N)C1CC1 770951311 582843664 /nfs/dbraw/zinc/84/36/64/582843664.db2.gz VBAOOGYUXHCJFH-CPJBWDMUSA-N 0 0 193.246 2.046 10 30 AEEERN C=CCCCC(=O)O[C@H]1CCO[C@H]1C 771047534 582843762 /nfs/dbraw/zinc/84/37/62/582843762.db2.gz VGUWLUNCNIKOAL-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C/C(=C\C(=O)OC[C@H](C)C#N)C1CC1 770951310 582843928 /nfs/dbraw/zinc/84/39/28/582843928.db2.gz VBAOOGYUXHCJFH-CBVZUMJXSA-N 0 0 193.246 2.046 10 30 AEEERN C=CCCCC(=O)O[C@@H]1CCO[C@H]1C 771047538 582843951 /nfs/dbraw/zinc/84/39/51/582843951.db2.gz VGUWLUNCNIKOAL-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCCC(=O)O[C@@H]1CCO[C@@H]1C 771047528 582843985 /nfs/dbraw/zinc/84/39/85/582843985.db2.gz VGUWLUNCNIKOAL-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCCC(=O)O[C@H]1CCO[C@@H]1C 771047540 582844024 /nfs/dbraw/zinc/84/40/24/582844024.db2.gz VGUWLUNCNIKOAL-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C/C(=C\C(=O)OC[C@@H](C)C#N)C1CC1 770951313 582844038 /nfs/dbraw/zinc/84/40/38/582844038.db2.gz VBAOOGYUXHCJFH-MOIHINDBSA-N 0 0 193.246 2.046 10 30 AEEERN C/C(=C/C(=O)OC[C@@H](C)C#N)C1CC1 770951312 582844042 /nfs/dbraw/zinc/84/40/42/582844042.db2.gz VBAOOGYUXHCJFH-HXOPTJOXSA-N 0 0 193.246 2.046 10 30 AEEERN CC1CCC(=NN[C@H](C)CC#N)CC1 771884015 582847895 /nfs/dbraw/zinc/84/78/95/582847895.db2.gz FZVXSFHVPRXNEP-QVDQXJPCSA-N 0 0 193.294 2.444 10 30 AEEERN C=CCN(C(=O)/C=C/C1CC1)C1CC1 771827276 582846912 /nfs/dbraw/zinc/84/69/12/582846912.db2.gz DUWSNJGOICAKHD-VMPITWQZSA-N 0 0 191.274 2.130 10 30 AEEERN C=CCN(C(=O)[C@@H]1CC1(C)C)C1CC1 771818949 582846498 /nfs/dbraw/zinc/84/64/98/582846498.db2.gz OBVIWONKIFEDOA-JTQLQIEISA-N 0 0 193.290 2.210 10 30 AEEERN C#CCCOc1ccc2cncnc2c1 771668835 582846769 /nfs/dbraw/zinc/84/67/69/582846769.db2.gz GXAFPTMFRQVMDZ-UHFFFAOYSA-N 0 0 198.225 2.032 10 30 AEEERN C=CCN(C(=O)/C=C\C1CC1)C1CC1 771827278 582846819 /nfs/dbraw/zinc/84/68/19/582846819.db2.gz DUWSNJGOICAKHD-YVMONPNESA-N 0 0 191.274 2.130 10 30 AEEERN C[C@H](CC#N)NN=C[C@@H]1CC=CCC1 771879872 582846838 /nfs/dbraw/zinc/84/68/38/582846838.db2.gz GEUWHIMTXPPMPJ-GHMZBOCLSA-N 0 0 191.278 2.220 10 30 AEEERN C[C@H](CC#N)NN=C[C@H]1CC=CCC1 771879874 582847018 /nfs/dbraw/zinc/84/70/18/582847018.db2.gz GEUWHIMTXPPMPJ-MNOVXSKESA-N 0 0 191.278 2.220 10 30 AEEERN CC(C)C(=NN[C@@H](C)CC#N)C1CC1 771881260 582847477 /nfs/dbraw/zinc/84/74/77/582847477.db2.gz RGLZTUHUZWKTEF-VIFPVBQESA-N 0 0 193.294 2.300 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC[C@@H](C)C1 771890341 582847534 /nfs/dbraw/zinc/84/75/34/582847534.db2.gz STUQUCUQXNGHIV-ZJUUUORDSA-N 0 0 193.294 2.444 10 30 AEEERN CC[C@@H]1CCCC1=NN[C@@H](C)CC#N 771882830 582847586 /nfs/dbraw/zinc/84/75/86/582847586.db2.gz BEABAFKQLVEVFB-VHSXEESVSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@H]1CCCCC1=NN[C@H](C)CC#N 771891321 582847594 /nfs/dbraw/zinc/84/75/94/582847594.db2.gz YOMILBURPLRKBQ-VHSXEESVSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@@H](CC#N)NN=C1CCCC[C@H]1C 771891322 582847628 /nfs/dbraw/zinc/84/76/28/582847628.db2.gz YOMILBURPLRKBQ-ZJUUUORDSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@H]1CCCC(=NN[C@@H](C)CC#N)C1 771890337 582847638 /nfs/dbraw/zinc/84/76/38/582847638.db2.gz STUQUCUQXNGHIV-UWVGGRQHSA-N 0 0 193.294 2.444 10 30 AEEERN CC(C)C(=NN[C@H](C)CC#N)C1CC1 771881258 582847641 /nfs/dbraw/zinc/84/76/41/582847641.db2.gz RGLZTUHUZWKTEF-SECBINFHSA-N 0 0 193.294 2.300 10 30 AEEERN C[C@H](CC#N)NN=C1CCCC1(C)C 771885931 582847656 /nfs/dbraw/zinc/84/76/56/582847656.db2.gz LVRCWGYKOYKFOX-SECBINFHSA-N 0 0 193.294 2.444 10 30 AEEERN CC(=NN[C@H](C)CC#N)C1CCCC1 771885921 582847675 /nfs/dbraw/zinc/84/76/75/582847675.db2.gz LSGKBWLVQDYCMC-SECBINFHSA-N 0 0 193.294 2.444 10 30 AEEERN CC[C@H]1CCCC1=NN[C@H](C)CC#N 771882831 582847687 /nfs/dbraw/zinc/84/76/87/582847687.db2.gz BEABAFKQLVEVFB-ZJUUUORDSA-N 0 0 193.294 2.444 10 30 AEEERN CC[C@@H]1CCCC1=NN[C@H](C)CC#N 771882827 582847720 /nfs/dbraw/zinc/84/77/20/582847720.db2.gz BEABAFKQLVEVFB-NXEZZACHSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@H](CC#N)NN=C1CCCC[C@H]1C 771891318 582847821 /nfs/dbraw/zinc/84/78/21/582847821.db2.gz YOMILBURPLRKBQ-NXEZZACHSA-N 0 0 193.294 2.444 10 30 AEEERN CC(CC1CCC1)=NN[C@@H](C)CC#N 771882025 582847877 /nfs/dbraw/zinc/84/78/77/582847877.db2.gz WBYJEBOFBUBZNP-VIFPVBQESA-N 0 0 193.294 2.444 10 30 AEEERN C[C@@H](CC#N)NN=C[C@H]1CC=CCC1 771879875 582847910 /nfs/dbraw/zinc/84/79/10/582847910.db2.gz GEUWHIMTXPPMPJ-QWRGUYRKSA-N 0 0 191.278 2.220 10 30 AEEERN C[C@@H](CC#N)NN=C1CCCC1(C)C 771885932 582847919 /nfs/dbraw/zinc/84/79/19/582847919.db2.gz LVRCWGYKOYKFOX-VIFPVBQESA-N 0 0 193.294 2.444 10 30 AEEERN C[C@@H](CC#N)NN=CC1CCCCC1 771885430 582847935 /nfs/dbraw/zinc/84/79/35/582847935.db2.gz MYOZRTWUWFSZAJ-JTQLQIEISA-N 0 0 193.294 2.444 10 30 AEEERN CC(CC1CCC1)=NN[C@H](C)CC#N 771882016 582847944 /nfs/dbraw/zinc/84/79/44/582847944.db2.gz WBYJEBOFBUBZNP-SECBINFHSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@@H](CC#N)NN=C[C@@H]1CC=CCC1 771879876 582847949 /nfs/dbraw/zinc/84/79/49/582847949.db2.gz GEUWHIMTXPPMPJ-WDEREUQCSA-N 0 0 191.278 2.220 10 30 AEEERN C[C@@H](CC#N)NN=C1CCCC[C@@H]1C 771891319 582848000 /nfs/dbraw/zinc/84/80/00/582848000.db2.gz YOMILBURPLRKBQ-UWVGGRQHSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@@H]1CCCC(=NN[C@H](C)CC#N)C1 771890333 582848031 /nfs/dbraw/zinc/84/80/31/582848031.db2.gz STUQUCUQXNGHIV-NXEZZACHSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@H]1CCCC(=NN[C@H](C)CC#N)C1 771890338 582848036 /nfs/dbraw/zinc/84/80/36/582848036.db2.gz STUQUCUQXNGHIV-VHSXEESVSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@H](CC#N)NN=CC1CCCCC1 771885434 582848067 /nfs/dbraw/zinc/84/80/67/582848067.db2.gz MYOZRTWUWFSZAJ-SNVBAGLBSA-N 0 0 193.294 2.444 10 30 AEEERN CC1CCC(=NN[C@@H](C)CC#N)CC1 771884013 582848108 /nfs/dbraw/zinc/84/81/08/582848108.db2.gz FZVXSFHVPRXNEP-AXDSSHIGSA-N 0 0 193.294 2.444 10 30 AEEERN CC(=NN[C@@H](C)CC#N)C1CCCC1 771885924 582848133 /nfs/dbraw/zinc/84/81/33/582848133.db2.gz LSGKBWLVQDYCMC-VIFPVBQESA-N 0 0 193.294 2.444 10 30 AEEERN CC[C@H]1CCCC1=NN[C@@H](C)CC#N 771882829 582848160 /nfs/dbraw/zinc/84/81/60/582848160.db2.gz BEABAFKQLVEVFB-UWVGGRQHSA-N 0 0 193.294 2.444 10 30 AEEERN C=C(CC)COC(=O)CCCC(C)=O 772366814 582848409 /nfs/dbraw/zinc/84/84/09/582848409.db2.gz CEDBERZUYTZYEV-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN CC#CCNC(=O)/C(C)=C/C(C)(C)C 772202237 582848440 /nfs/dbraw/zinc/84/84/40/582848440.db2.gz KPZMVHNAQOWFNA-MDZDMXLPSA-N 0 0 193.290 2.118 10 30 AEEERN C=CCCCOC(=O)[C@H]1CCCCO1 772323658 582848700 /nfs/dbraw/zinc/84/87/00/582848700.db2.gz CRSMTULVHFIFGQ-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN C#CCCNC(=O)/C(C)=C\C(C)(C)C 772063355 582849070 /nfs/dbraw/zinc/84/90/70/582849070.db2.gz IBYGNCCIXZDNDW-KTKRTIGZSA-N 0 0 193.290 2.118 10 30 AEEERN C=CCOC(=O)CCC(C)(C)C(C)=O 772296463 582849158 /nfs/dbraw/zinc/84/91/58/582849158.db2.gz FLTZNYAGOQUSLS-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN CC#CCNC(=O)/C(C)=C\C(C)(C)C 772202236 582849171 /nfs/dbraw/zinc/84/91/71/582849171.db2.gz KPZMVHNAQOWFNA-KTKRTIGZSA-N 0 0 193.290 2.118 10 30 AEEERN C=CCCCOC(=O)CCCC(C)=O 772367630 582849264 /nfs/dbraw/zinc/84/92/64/582849264.db2.gz DYXLSEDOJRQPQI-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C#CCCNC(=O)/C(C)=C/C(C)(C)C 772063356 582849270 /nfs/dbraw/zinc/84/92/70/582849270.db2.gz IBYGNCCIXZDNDW-MDZDMXLPSA-N 0 0 193.290 2.118 10 30 AEEERN C=CCCCOC(=O)[C@@H]1CCCCO1 772323654 582849398 /nfs/dbraw/zinc/84/93/98/582849398.db2.gz CRSMTULVHFIFGQ-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCCOC(=O)Cc1ccoc1 772571452 582849623 /nfs/dbraw/zinc/84/96/23/582849623.db2.gz DFEZNKAOFKFXMH-UHFFFAOYSA-N 0 0 194.230 2.332 10 30 AEEERN C#CCCCOC(=O)[C@@H]1C[C@@H]1C(C)C 772494627 582849738 /nfs/dbraw/zinc/84/97/38/582849738.db2.gz TWPAHFABOSRJEZ-GHMZBOCLSA-N 0 0 194.274 2.235 10 30 AEEERN CC(C)[C@H]1C[C@H]1C(=O)OCCCC#N 772505143 582849763 /nfs/dbraw/zinc/84/97/63/582849763.db2.gz QGNAOAMNEHTVRN-NXEZZACHSA-N 0 0 195.262 2.125 10 30 AEEERN CC#CCCOC(=O)[C@@H]1C[C@H]1C(C)C 772490752 582849773 /nfs/dbraw/zinc/84/97/73/582849773.db2.gz MCECNRFJDICDJN-WDEREUQCSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCCCOC(=O)[C@H]1C[C@@H]1C(C)C 772494629 582849824 /nfs/dbraw/zinc/84/98/24/582849824.db2.gz TWPAHFABOSRJEZ-MNOVXSKESA-N 0 0 194.274 2.235 10 30 AEEERN CC#CCCOC(=O)[C@H]1C[C@@H]1C(C)C 772490105 582849935 /nfs/dbraw/zinc/84/99/35/582849935.db2.gz MCECNRFJDICDJN-MNOVXSKESA-N 0 0 194.274 2.235 10 30 AEEERN CC#CCCOC(=O)[C@@H]1C[C@@H]1C(C)C 772490104 582849977 /nfs/dbraw/zinc/84/99/77/582849977.db2.gz MCECNRFJDICDJN-GHMZBOCLSA-N 0 0 194.274 2.235 10 30 AEEERN CC(C)[C@@H]1C[C@@H]1C(=O)OCCCC#N 772505163 582850036 /nfs/dbraw/zinc/85/00/36/582850036.db2.gz QGNAOAMNEHTVRN-UWVGGRQHSA-N 0 0 195.262 2.125 10 30 AEEERN C#CCCCOC(=O)[C@H]1C[C@H]1C(C)C 772494631 582850052 /nfs/dbraw/zinc/85/00/52/582850052.db2.gz TWPAHFABOSRJEZ-QWRGUYRKSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCCCOC(=O)[C@@H]1C[C@H]1C(C)C 772494633 582850121 /nfs/dbraw/zinc/85/01/21/582850121.db2.gz TWPAHFABOSRJEZ-WDEREUQCSA-N 0 0 194.274 2.235 10 30 AEEERN CC(C)[C@@H]1C[C@H]1C(=O)OCCCC#N 772505166 582850130 /nfs/dbraw/zinc/85/01/30/582850130.db2.gz QGNAOAMNEHTVRN-VHSXEESVSA-N 0 0 195.262 2.125 10 30 AEEERN CC(C)[C@H]1C[C@@H]1C(=O)OCCCC#N 772505714 582850162 /nfs/dbraw/zinc/85/01/62/582850162.db2.gz QGNAOAMNEHTVRN-ZJUUUORDSA-N 0 0 195.262 2.125 10 30 AEEERN CC#CCCOC(=O)[C@H]1C[C@H]1C(C)C 772490106 582850218 /nfs/dbraw/zinc/85/02/18/582850218.db2.gz MCECNRFJDICDJN-QWRGUYRKSA-N 0 0 194.274 2.235 10 30 AEEERN C=C(CC)COC(=O)Cc1ccoc1 772571818 582850225 /nfs/dbraw/zinc/85/02/25/582850225.db2.gz HZNZFJLINKMFCC-UHFFFAOYSA-N 0 0 194.230 2.332 10 30 AEEERN C#CCCCOC(=O)C1(F)CCCC1 772778972 582850582 /nfs/dbraw/zinc/85/05/82/582850582.db2.gz GITGNKMIUIJLRF-UHFFFAOYSA-N 0 0 198.237 2.225 10 30 AEEERN C=C1CCN(C(=O)N(C)CCC)CC1 772642660 582850737 /nfs/dbraw/zinc/85/07/37/582850737.db2.gz FZRUMKOVJIBPPZ-UHFFFAOYSA-N 0 0 196.294 2.100 10 30 AEEERN C=C(CC)COC(=O)C1=COCCC1 773514220 582854417 /nfs/dbraw/zinc/85/44/17/582854417.db2.gz BIWPCIREGKCNKY-UHFFFAOYSA-N 0 0 196.246 2.190 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCCC1(C)C 772605933 582851115 /nfs/dbraw/zinc/85/11/15/582851115.db2.gz BKCWQIBCQSVDKM-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)[C@H]1CCCC1(C)C 772605934 582851203 /nfs/dbraw/zinc/85/12/03/582851203.db2.gz BKCWQIBCQSVDKM-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C=CCC[C@H](C)OC(=O)c1cocn1 772780015 582851222 /nfs/dbraw/zinc/85/12/22/582851222.db2.gz BLROJIHAQHHBMU-QMMMGPOBSA-N 0 0 195.218 2.186 10 30 AEEERN C=CCC[C@@H](C)OC(=O)c1cocn1 772780014 582851318 /nfs/dbraw/zinc/85/13/18/582851318.db2.gz BLROJIHAQHHBMU-MRVPVSSYSA-N 0 0 195.218 2.186 10 30 AEEERN C/C(=C/C(C)(C)C)C(=O)O[C@@H](C)C#N 772817716 582851580 /nfs/dbraw/zinc/85/15/80/582851580.db2.gz LPBKJVQUHFZJAK-XZLDQRQTSA-N 0 0 195.262 2.434 10 30 AEEERN C/C(=C\C(C)(C)C)C(=O)O[C@@H](C)C#N 772817709 582851683 /nfs/dbraw/zinc/85/16/83/582851683.db2.gz LPBKJVQUHFZJAK-ORZBULNSSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCC[C@H](C)OC(=O)COCC=C 772782007 582851764 /nfs/dbraw/zinc/85/17/64/582851764.db2.gz PJHFBIFVVFLNHJ-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN CON=Cc1cncc2ccccc12 772840953 582851876 /nfs/dbraw/zinc/85/18/76/582851876.db2.gz LXIPKBBUPYNLPS-UHFFFAOYSA-N 0 0 186.214 2.215 10 30 AEEERN C/C(=C\C(C)(C)C)C(=O)O[C@H](C)C#N 772817700 582852062 /nfs/dbraw/zinc/85/20/62/582852062.db2.gz LPBKJVQUHFZJAK-BNICOGTQSA-N 0 0 195.262 2.434 10 30 AEEERN C[C@@H](CC#N)NN=C1CC2(CCC2)C1 772843559 582852079 /nfs/dbraw/zinc/85/20/79/582852079.db2.gz JDEZKRDLPRRWHM-VIFPVBQESA-N 0 0 191.278 2.198 10 30 AEEERN C/C(=C/C(C)(C)C)C(=O)O[C@H](C)C#N 772817706 582852105 /nfs/dbraw/zinc/85/21/05/582852105.db2.gz LPBKJVQUHFZJAK-JGAIRUGNSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCC[C@@H](C)OC(=O)COCC=C 772782008 582852226 /nfs/dbraw/zinc/85/22/26/582852226.db2.gz PJHFBIFVVFLNHJ-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN N#CCCCOC(=O)C1(F)CCCC1 772793016 582852250 /nfs/dbraw/zinc/85/22/50/582852250.db2.gz DMDBOYTYIPFVAC-UHFFFAOYSA-N 0 0 199.225 2.116 10 30 AEEERN C[C@H](CC#N)NN=C1CC2(CCC2)C1 772843553 582852253 /nfs/dbraw/zinc/85/22/53/582852253.db2.gz JDEZKRDLPRRWHM-SECBINFHSA-N 0 0 191.278 2.198 10 30 AEEERN C=CCC[C@@H](C)OC(=O)C1=COCC1 772781275 582852282 /nfs/dbraw/zinc/85/22/82/582852282.db2.gz YEZCKQYJWRXSTC-SECBINFHSA-N 0 0 196.246 2.189 10 30 AEEERN C#C[C@H](C)NC(=O)/C(C)=C\C(C)(C)C 772977097 582852292 /nfs/dbraw/zinc/85/22/92/582852292.db2.gz RVMGIELRZTWVFQ-QROTZFDESA-N 0 0 193.290 2.117 10 30 AEEERN C=CCC[C@H](C)OC(=O)C1=COCC1 772781276 582852343 /nfs/dbraw/zinc/85/23/43/582852343.db2.gz YEZCKQYJWRXSTC-VIFPVBQESA-N 0 0 196.246 2.189 10 30 AEEERN CCC(=NOC)c1ccc(C#N)cc1 773033157 582852711 /nfs/dbraw/zinc/85/27/11/582852711.db2.gz DZKRKYHVAKXPGL-UHFFFAOYSA-N 0 0 188.230 2.319 10 30 AEEERN C#C[C@H](C)NC(=O)/C(C)=C/C(C)(C)C 772977090 582852827 /nfs/dbraw/zinc/85/28/27/582852827.db2.gz RVMGIELRZTWVFQ-DDXVTDLHSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](C)NC(=O)/C(C)=C/C(C)(C)C 772977086 582852858 /nfs/dbraw/zinc/85/28/58/582852858.db2.gz RVMGIELRZTWVFQ-AAXQSMANSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](C)NC(=O)/C(C)=C\C(C)(C)C 772977095 582852880 /nfs/dbraw/zinc/85/28/80/582852880.db2.gz RVMGIELRZTWVFQ-HSTULFTRSA-N 0 0 193.290 2.117 10 30 AEEERN C#CCCCCc1nc(C2CC2)no1 773181219 582853795 /nfs/dbraw/zinc/85/37/95/582853795.db2.gz HHDLAOWNXZRZFQ-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN C=C(CC)COC(=O)[C@@]1(C)CCCO1 773528205 582854135 /nfs/dbraw/zinc/85/41/35/582854135.db2.gz DBOXVXUKFHRAHM-LLVKDONJSA-N 0 0 198.262 2.065 10 30 AEEERN C=C(CC)COC(=O)c1ocnc1C 773521031 582854263 /nfs/dbraw/zinc/85/42/63/582854263.db2.gz DEVOCDXYEAWGAH-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN C=C(CC)COC(=O)[C@]1(C)CCCO1 773528209 582854421 /nfs/dbraw/zinc/85/44/21/582854421.db2.gz DBOXVXUKFHRAHM-NSHDSACASA-N 0 0 198.262 2.065 10 30 AEEERN C#CCCCCC(=O)OCCCC#C 773647677 582855316 /nfs/dbraw/zinc/85/53/16/582855316.db2.gz HNZFQMVBOKLQGN-UHFFFAOYSA-N 0 0 192.258 2.137 10 30 AEEERN C#CCCCCC(=O)OC[C@H]1C[C@H]1C 773770134 582855824 /nfs/dbraw/zinc/85/58/24/582855824.db2.gz ADVSEJOQUMINCF-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCCC(=O)OC[C@@H]1C[C@H]1C 773770136 582855991 /nfs/dbraw/zinc/85/59/91/582855991.db2.gz ADVSEJOQUMINCF-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCCC(=O)OC[C@@H]1C[C@@H]1C 773770139 582856055 /nfs/dbraw/zinc/85/60/55/582856055.db2.gz ADVSEJOQUMINCF-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCCC(=O)OC[C@H]1C[C@@H]1C 773770142 582856193 /nfs/dbraw/zinc/85/61/93/582856193.db2.gz ADVSEJOQUMINCF-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCCC(=O)O[C@@H](C)CC#N 773779506 582856272 /nfs/dbraw/zinc/85/62/72/582856272.db2.gz INYIVDXNONVKGN-JTQLQIEISA-N 0 0 193.246 2.025 10 30 AEEERN C#CCCCCC(=O)O[C@H](C)CC#N 773779507 582856351 /nfs/dbraw/zinc/85/63/51/582856351.db2.gz INYIVDXNONVKGN-SNVBAGLBSA-N 0 0 193.246 2.025 10 30 AEEERN C#C[C@H](C)OC(=O)C1=CCCCCC1 774107382 582857413 /nfs/dbraw/zinc/85/74/13/582857413.db2.gz YIZURDOGGFFUOT-JTQLQIEISA-N 0 0 192.258 2.442 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1C(C)C 774156055 582857307 /nfs/dbraw/zinc/85/73/07/582857307.db2.gz GCCUKXJJRCVVTJ-OPRDCNLKSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)[C@@H]1C[C@H]1C(=O)O[C@H](C)CC#N 774087892 582857649 /nfs/dbraw/zinc/85/76/49/582857649.db2.gz XHNGIHZKOXLTPR-KXUCPTDWSA-N 0 0 195.262 2.124 10 30 AEEERN C=C[C@H](CC)OC(=O)Cc1ccoc1 774290635 582858595 /nfs/dbraw/zinc/85/85/95/582858595.db2.gz DYLCHVWTDWOWHR-SNVBAGLBSA-N 0 0 194.230 2.330 10 30 AEEERN CC(C)[C@H]1C[C@H]1C(=O)O[C@H](C)CC#N 774087894 582857428 /nfs/dbraw/zinc/85/74/28/582857428.db2.gz XHNGIHZKOXLTPR-OPRDCNLKSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)[C@H]1C[C@H]1C(=O)OC(C)(C)C#N 774191478 582857552 /nfs/dbraw/zinc/85/75/52/582857552.db2.gz GLXJGMPHGXPAQG-RKDXNWHRSA-N 0 0 195.262 2.124 10 30 AEEERN CC(C)[C@H]1C[C@@H]1C(=O)O[C@H](C)CC#N 774087872 582857547 /nfs/dbraw/zinc/85/75/47/582857547.db2.gz XHNGIHZKOXLTPR-BBBLOLIVSA-N 0 0 195.262 2.124 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H]1CCCC1(C)C 774101282 582857716 /nfs/dbraw/zinc/85/77/16/582857716.db2.gz AWJSBUGVGUKIMI-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCCC1(C)C 774101285 582857720 /nfs/dbraw/zinc/85/77/20/582857720.db2.gz AWJSBUGVGUKIMI-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN CC(C)[C@@H]1C[C@H]1C(=O)OC(C)(C)C#N 774191475 582857736 /nfs/dbraw/zinc/85/77/36/582857736.db2.gz GLXJGMPHGXPAQG-DTWKUNHWSA-N 0 0 195.262 2.124 10 30 AEEERN C[C@H](CC#N)OC(=O)C1(F)CCCC1 774088052 582857779 /nfs/dbraw/zinc/85/77/79/582857779.db2.gz YCDQWSUHCIDDFZ-MRVPVSSYSA-N 0 0 199.225 2.114 10 30 AEEERN CC(C)[C@H]1C[C@@H]1C(=O)OC(C)(C)C#N 774191473 582857783 /nfs/dbraw/zinc/85/77/83/582857783.db2.gz GLXJGMPHGXPAQG-BDAKNGLRSA-N 0 0 195.262 2.124 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1C[C@]1(C)C(C)C 774101335 582857810 /nfs/dbraw/zinc/85/78/10/582857810.db2.gz BFLMGVXQVZXKMF-HOSYDEDBSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCCC1(C)C 774101287 582857819 /nfs/dbraw/zinc/85/78/19/582857819.db2.gz AWJSBUGVGUKIMI-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H]1CCCC1(C)C 774101289 582857833 /nfs/dbraw/zinc/85/78/33/582857833.db2.gz AWJSBUGVGUKIMI-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1C[C@@]1(C)C(C)C 774101346 582857845 /nfs/dbraw/zinc/85/78/45/582857845.db2.gz BFLMGVXQVZXKMF-UMNHJUIQSA-N 0 0 194.274 2.234 10 30 AEEERN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H](C)CC#N 774087897 582857848 /nfs/dbraw/zinc/85/78/48/582857848.db2.gz XHNGIHZKOXLTPR-UTLUCORTSA-N 0 0 195.262 2.124 10 30 AEEERN C[C@@H](CC#N)OC(=O)C1(F)CCCC1 774088061 582857875 /nfs/dbraw/zinc/85/78/75/582857875.db2.gz YCDQWSUHCIDDFZ-QMMMGPOBSA-N 0 0 199.225 2.114 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1C(C)C 774156047 582857881 /nfs/dbraw/zinc/85/78/81/582857881.db2.gz GCCUKXJJRCVVTJ-BBBLOLIVSA-N 0 0 195.262 2.124 10 30 AEEERN C#C[C@@H](C)OC(=O)C1=CCCCCC1 774107383 582857885 /nfs/dbraw/zinc/85/78/85/582857885.db2.gz YIZURDOGGFFUOT-SNVBAGLBSA-N 0 0 192.258 2.442 10 30 AEEERN CC(C)(C#N)OC(=O)C1(F)CCCC1 774191969 582857902 /nfs/dbraw/zinc/85/79/02/582857902.db2.gz HRZSLVAMUYRLEI-UHFFFAOYSA-N 0 0 199.225 2.114 10 30 AEEERN CC(C)[C@@H]1C[C@@H]1C(=O)OC(C)(C)C#N 774191476 582857911 /nfs/dbraw/zinc/85/79/11/582857911.db2.gz GLXJGMPHGXPAQG-IUCAKERBSA-N 0 0 195.262 2.124 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@H]1C[C@H]1C(C)C 774156059 582857921 /nfs/dbraw/zinc/85/79/21/582857921.db2.gz GCCUKXJJRCVVTJ-UTLUCORTSA-N 0 0 195.262 2.124 10 30 AEEERN C=C[C@@H](CC)OC(=O)Cc1ccoc1 774290632 582858112 /nfs/dbraw/zinc/85/81/12/582858112.db2.gz DYLCHVWTDWOWHR-JTQLQIEISA-N 0 0 194.230 2.330 10 30 AEEERN CC#CCOC(=O)C1=CCCCCC1 774284768 582858117 /nfs/dbraw/zinc/85/81/17/582858117.db2.gz BDJMUTIJXYDAMK-UHFFFAOYSA-N 0 0 192.258 2.443 10 30 AEEERN CC1=CC(=NOC2CCOCC2)CC1 774450472 582858539 /nfs/dbraw/zinc/85/85/39/582858539.db2.gz HCCZZQNMCMJSAT-UHFFFAOYSA-N 0 0 195.262 2.278 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)Cc1ccoc1 774391759 582858182 /nfs/dbraw/zinc/85/81/82/582858182.db2.gz VCSWJVBQKLQCAR-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN CC(CC1CC1)=NOC1CCOCC1 774430227 582858189 /nfs/dbraw/zinc/85/81/89/582858189.db2.gz GFHPWAYZJLLKTB-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN C=C(C)[C@H](C)OC(=O)Cc1ccoc1 774391764 582858216 /nfs/dbraw/zinc/85/82/16/582858216.db2.gz VCSWJVBQKLQCAR-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN CCC(=NOC1CCOCC1)C1CC1 774456790 582858525 /nfs/dbraw/zinc/85/85/25/582858525.db2.gz GLXHBBJHCZVFTQ-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN CON=CCCc1ccc(C#N)cc1 774364652 582858603 /nfs/dbraw/zinc/85/86/03/582858603.db2.gz TYDUQSPBMXNHLB-UHFFFAOYSA-N 0 0 188.230 2.123 10 30 AEEERN CCOCCON=C(C)c1ccco1 774432275 582858615 /nfs/dbraw/zinc/85/86/15/582858615.db2.gz HWGYBKKLWFLYHD-UHFFFAOYSA-N 0 0 197.234 2.057 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1C[C@@H]1C(C)C 774484923 582858995 /nfs/dbraw/zinc/85/89/95/582858995.db2.gz WGNUEGSREZFWOY-GMTAPVOTSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1C[C@H]1C(C)C 774484927 582859078 /nfs/dbraw/zinc/85/90/78/582859078.db2.gz WGNUEGSREZFWOY-OUAUKWLOSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(F)CCCC1 774482035 582859207 /nfs/dbraw/zinc/85/92/07/582859207.db2.gz JYGWLKNLRDJKFA-SECBINFHSA-N 0 0 198.237 2.224 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1C[C@@H]1C(C)C 774484925 582859215 /nfs/dbraw/zinc/85/92/15/582859215.db2.gz WGNUEGSREZFWOY-MXWKQRLJSA-N 0 0 194.274 2.234 10 30 AEEERN C(=NOC1CCCC1)c1cccnc1 774601539 582859312 /nfs/dbraw/zinc/85/93/12/582859312.db2.gz DAFVMJLBXULGOK-UHFFFAOYSA-N 0 0 190.246 2.375 10 30 AEEERN CCC(CC)CNN=C1CCCOC1 774471760 582859318 /nfs/dbraw/zinc/85/93/18/582859318.db2.gz NPTDBCGPUFAHSC-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1ncoc1C 776100304 582864354 /nfs/dbraw/zinc/86/43/54/582864354.db2.gz CPSNWFSOZTYUEX-QMMMGPOBSA-N 0 0 195.218 2.104 10 30 AEEERN C(=NOC1CCCC1)C1CCOCC1 774596245 582859454 /nfs/dbraw/zinc/85/94/54/582859454.db2.gz ADBXLUNHMCPYQW-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1cccn1C 776104412 582864366 /nfs/dbraw/zinc/86/43/66/582864366.db2.gz HJYOUVTUGYSRQJ-VIFPVBQESA-N 0 0 193.246 2.147 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(F)CCCC1 774482037 582859515 /nfs/dbraw/zinc/85/95/15/582859515.db2.gz JYGWLKNLRDJKFA-VIFPVBQESA-N 0 0 198.237 2.224 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1C[C@H]1C(C)C 774484928 582859534 /nfs/dbraw/zinc/85/95/34/582859534.db2.gz WGNUEGSREZFWOY-VWYCJHECSA-N 0 0 194.274 2.234 10 30 AEEERN C=C[C@H](CC)OC(=O)c1c[nH]cc1C 776104059 582864384 /nfs/dbraw/zinc/86/43/84/582864384.db2.gz DERQVDMGTKMEQU-SECBINFHSA-N 0 0 193.246 2.445 10 30 AEEERN C#CCC(C)(C)c1nc(C(C)C)no1 774817950 582860123 /nfs/dbraw/zinc/86/01/23/582860123.db2.gz HMEBMWDTBMDWEQ-UHFFFAOYSA-N 0 0 192.262 2.494 10 30 AEEERN C[C@@H](C#N)OC(=O)C1=CCCCCC1 775053781 582861308 /nfs/dbraw/zinc/86/13/08/582861308.db2.gz FDNVORPGKMZYAE-VIFPVBQESA-N 0 0 193.246 2.332 10 30 AEEERN C[C@H](C#N)OC(=O)C1=CCCCCC1 775053780 582861538 /nfs/dbraw/zinc/86/15/38/582861538.db2.gz FDNVORPGKMZYAE-SECBINFHSA-N 0 0 193.246 2.332 10 30 AEEERN C#CCCNC(=O)C1=CCCCCC1 775460115 582862758 /nfs/dbraw/zinc/86/27/58/582862758.db2.gz OQOQVQYIRDCZCG-UHFFFAOYSA-N 0 0 191.274 2.016 10 30 AEEERN C=C[C@H](CC)OC(=O)C[C@@H]1CCCO1 776103751 582864412 /nfs/dbraw/zinc/86/44/12/582864412.db2.gz AMCTXXFWNMKXFV-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H]1CCCCO1 776104880 582864420 /nfs/dbraw/zinc/86/44/20/582864420.db2.gz MGSUSPJWGLZREO-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](CC)OC(=O)C1=COCCC1 776104233 582864425 /nfs/dbraw/zinc/86/44/25/582864425.db2.gz NDFNWVWMYAFLQS-JTQLQIEISA-N 0 0 196.246 2.189 10 30 AEEERN CCCCCC(=O)OCC1(C#N)CC1 775827145 582863614 /nfs/dbraw/zinc/86/36/14/582863614.db2.gz DRTIKHFKBHZDQV-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1ccn(C)c1 776103960 582864090 /nfs/dbraw/zinc/86/40/90/582864090.db2.gz LFZXHNUPYVHFOG-JTQLQIEISA-N 0 0 193.246 2.147 10 30 AEEERN C=C[C@H](CC)OC(=O)c1ccn(C)c1 776103981 582864118 /nfs/dbraw/zinc/86/41/18/582864118.db2.gz LFZXHNUPYVHFOG-SNVBAGLBSA-N 0 0 193.246 2.147 10 30 AEEERN C=C[C@H](CC)OC(=O)C[C@H]1CCCO1 776103738 582864141 /nfs/dbraw/zinc/86/41/41/582864141.db2.gz AMCTXXFWNMKXFV-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](CC)OC(=O)c1ncoc1C 776100303 582864167 /nfs/dbraw/zinc/86/41/67/582864167.db2.gz CPSNWFSOZTYUEX-MRVPVSSYSA-N 0 0 195.218 2.104 10 30 AEEERN C=C[C@H](CC)OC(=O)C1=COCCC1 776104244 582864190 /nfs/dbraw/zinc/86/41/90/582864190.db2.gz NDFNWVWMYAFLQS-SNVBAGLBSA-N 0 0 196.246 2.189 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1c[nH]cc1C 776104061 582864202 /nfs/dbraw/zinc/86/42/02/582864202.db2.gz DERQVDMGTKMEQU-VIFPVBQESA-N 0 0 193.246 2.445 10 30 AEEERN C=C[C@@H](CC)OC(=O)C[C@@H]1CCCO1 776103742 582864315 /nfs/dbraw/zinc/86/43/15/582864315.db2.gz AMCTXXFWNMKXFV-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](CC)OC(=O)Cc1ccco1 776105941 582864489 /nfs/dbraw/zinc/86/44/89/582864489.db2.gz XEUACXZVJMZKAN-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H]1CCCCO1 776104883 582864508 /nfs/dbraw/zinc/86/45/08/582864508.db2.gz MGSUSPJWGLZREO-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](CC)OC(=O)Cc1ccco1 776105940 582864628 /nfs/dbraw/zinc/86/46/28/582864628.db2.gz XEUACXZVJMZKAN-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H]1CCCCO1 776104878 582864656 /nfs/dbraw/zinc/86/46/56/582864656.db2.gz MGSUSPJWGLZREO-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](CC)OC(=O)c1cccn1C 776104411 582864666 /nfs/dbraw/zinc/86/46/66/582864666.db2.gz HJYOUVTUGYSRQJ-SECBINFHSA-N 0 0 193.246 2.147 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H]1CCCCO1 776104881 582864698 /nfs/dbraw/zinc/86/46/98/582864698.db2.gz MGSUSPJWGLZREO-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](CC)OC(=O)C[C@H]1CCCO1 776103747 582864736 /nfs/dbraw/zinc/86/47/36/582864736.db2.gz AMCTXXFWNMKXFV-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C[C@@H]1CC[C@H](C(=O)OCCCC#N)C1 776411139 582864939 /nfs/dbraw/zinc/86/49/39/582864939.db2.gz FUTSNOMBURHOGA-ZJUUUORDSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCCOC(=O)[C@@H]1CC[C@H](C)C1 776412082 582864982 /nfs/dbraw/zinc/86/49/82/582864982.db2.gz GTFNASLZCVZQQM-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCOC(=O)[C@H]1CC[C@H](C)C1 776412080 582864995 /nfs/dbraw/zinc/86/49/95/582864995.db2.gz GTFNASLZCVZQQM-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN CC(C)=CC(=O)OCCC(C)(C)C#N 776356573 582865007 /nfs/dbraw/zinc/86/50/07/582865007.db2.gz GRUFWLBXHRMGBJ-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1cccnc1 776109285 582865070 /nfs/dbraw/zinc/86/50/70/582865070.db2.gz XHNBRYWLLYMQPX-JTQLQIEISA-N 0 0 191.230 2.203 10 30 AEEERN C#CCCCOC(=O)[C@H]1CC[C@@H](C)C1 776412077 582865075 /nfs/dbraw/zinc/86/50/75/582865075.db2.gz GTFNASLZCVZQQM-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCOC(=O)[C@@H]1CC[C@@H](C)C1 776412059 582865085 /nfs/dbraw/zinc/86/50/85/582865085.db2.gz GTFNASLZCVZQQM-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@@H]1CC[C@@H](C(=O)OCCCC#N)C1 776411135 582865124 /nfs/dbraw/zinc/86/51/24/582865124.db2.gz FUTSNOMBURHOGA-NXEZZACHSA-N 0 0 195.262 2.270 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@]1(C)CCCO1 776108082 582865125 /nfs/dbraw/zinc/86/51/25/582865125.db2.gz LZQIIEBOQWYNHH-GXSJLCMTSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCOCC(=O)O[C@H](C=C)CC 776110406 582865142 /nfs/dbraw/zinc/86/51/42/582865142.db2.gz ZHVDQCZBQUBFRI-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=C[C@H](CC)OC(=O)c1cccnc1 776109288 582865189 /nfs/dbraw/zinc/86/51/89/582865189.db2.gz XHNBRYWLLYMQPX-SNVBAGLBSA-N 0 0 191.230 2.203 10 30 AEEERN C[C@H]1CC[C@H](C(=O)OCCCC#N)C1 776411136 582865249 /nfs/dbraw/zinc/86/52/49/582865249.db2.gz FUTSNOMBURHOGA-UWVGGRQHSA-N 0 0 195.262 2.270 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@]1(C)CCCO1 776108084 582865303 /nfs/dbraw/zinc/86/53/03/582865303.db2.gz LZQIIEBOQWYNHH-KOLCDFICSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@]1(C)CCCO1 776108088 582865371 /nfs/dbraw/zinc/86/53/71/582865371.db2.gz LZQIIEBOQWYNHH-ONGXEEELSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@]1(C)CCCO1 776108085 582865505 /nfs/dbraw/zinc/86/55/05/582865505.db2.gz LZQIIEBOQWYNHH-MWLCHTKSSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCC(=O)OCCC(C)(C)C#N 776381416 582865510 /nfs/dbraw/zinc/86/55/10/582865510.db2.gz HBTGRTCRWOLTFK-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C=CCCOCC(=O)O[C@@H](C=C)CC 776110404 582865526 /nfs/dbraw/zinc/86/55/26/582865526.db2.gz ZHVDQCZBQUBFRI-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C[C@H]1CC[C@@H](C(=O)OCCCC#N)C1 776411137 582865533 /nfs/dbraw/zinc/86/55/33/582865533.db2.gz FUTSNOMBURHOGA-VHSXEESVSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCN(C)Cc1ncc(C(C)C)o1 778169813 582868726 /nfs/dbraw/zinc/86/87/26/582868726.db2.gz CZAQQVGLEWPBIU-UHFFFAOYSA-N 0 0 194.278 2.416 10 30 AEEERN C[C@H](C#N)COC(=O)[C@@H]1CC[C@@H](C)C1 776533605 582865956 /nfs/dbraw/zinc/86/59/56/582865956.db2.gz HYYHYKFSUIPXCH-OPRDCNLKSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H](C#N)COC(=O)[C@H]1CC[C@@H](C)C1 776533603 582865972 /nfs/dbraw/zinc/86/59/72/582865972.db2.gz HYYHYKFSUIPXCH-BBBLOLIVSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H]1CC[C@H](C(=O)OC[C@H](C)C#N)C1 776533602 582866049 /nfs/dbraw/zinc/86/60/49/582866049.db2.gz HYYHYKFSUIPXCH-AEJSXWLSSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@@H](CC#N)OC(=O)[C@@H]1CC[C@@H](C)C1 776525060 582866143 /nfs/dbraw/zinc/86/61/43/582866143.db2.gz HKEPWXCNLQOOHC-KXUCPTDWSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H]1CC[C@@H](C(=O)OC[C@H](C)C#N)C1 776533604 582865909 /nfs/dbraw/zinc/86/59/09/582865909.db2.gz HYYHYKFSUIPXCH-IVZWLZJFSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@@H]1CC[C@@H](C(=O)O[C@H](C)CC#N)C1 776525061 582866220 /nfs/dbraw/zinc/86/62/20/582866220.db2.gz HKEPWXCNLQOOHC-OPRDCNLKSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H]1CC[C@H](C(=O)O[C@H](C)CC#N)C1 776525048 582866228 /nfs/dbraw/zinc/86/62/28/582866228.db2.gz HKEPWXCNLQOOHC-BBBLOLIVSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](CC#N)OC(=O)[C@H]1CC[C@@H](C)C1 776525064 582866257 /nfs/dbraw/zinc/86/62/57/582866257.db2.gz HKEPWXCNLQOOHC-UTLUCORTSA-N 0 0 195.262 2.268 10 30 AEEERN CCC[C@H](C)C=Nn1ccccc1=O 776783521 582867333 /nfs/dbraw/zinc/86/73/33/582867333.db2.gz BZJDNQNWBFZNPH-JTQLQIEISA-N 0 0 192.262 2.118 10 30 AEEERN CCC[C@@H](C)C=Nn1ccccc1=O 776783523 582867468 /nfs/dbraw/zinc/86/74/68/582867468.db2.gz BZJDNQNWBFZNPH-SNVBAGLBSA-N 0 0 192.262 2.118 10 30 AEEERN C(=NOC1CCCCC1)[C@@H]1CCOC1 777458539 582867631 /nfs/dbraw/zinc/86/76/31/582867631.db2.gz GBLXYHJMOHIJKU-JTQLQIEISA-N 0 0 197.278 2.358 10 30 AEEERN C(=NOC1CCCCC1)[C@H]1CCOC1 777458540 582867674 /nfs/dbraw/zinc/86/76/74/582867674.db2.gz GBLXYHJMOHIJKU-SNVBAGLBSA-N 0 0 197.278 2.358 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@@H]1C=CCCC1 778652526 582870665 /nfs/dbraw/zinc/87/06/65/582870665.db2.gz NDDYGFSZNQAHMJ-GHMZBOCLSA-N 0 0 192.258 2.298 10 30 AEEERN C=CCOCC(=O)OC1(C)CCCC1 778669552 582870711 /nfs/dbraw/zinc/87/07/11/582870711.db2.gz YOYYABDEGJOKES-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@H]1C=CCCC1 778652527 582870865 /nfs/dbraw/zinc/87/08/65/582870865.db2.gz NDDYGFSZNQAHMJ-MNOVXSKESA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H]1C=CCCC1 778652530 582871022 /nfs/dbraw/zinc/87/10/22/582871022.db2.gz NDDYGFSZNQAHMJ-WDEREUQCSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H]1C=CCCC1 778652528 582871180 /nfs/dbraw/zinc/87/11/80/582871180.db2.gz NDDYGFSZNQAHMJ-QWRGUYRKSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCC(C)(C)COC(=O)C1CCC1 779457038 582873273 /nfs/dbraw/zinc/87/32/73/582873273.db2.gz VEIQCWOBFHCLSY-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCC(C)(C)COC(=O)[C@H]1C[C@H]1C 779456946 582873293 /nfs/dbraw/zinc/87/32/93/582873293.db2.gz RGRIIDVNCHNXLZ-ZJUUUORDSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCCCCCOC(=O)[C@@H]1C[C@@H]1C 779454118 582873324 /nfs/dbraw/zinc/87/33/24/582873324.db2.gz CQFXFLPZSRSXMF-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCC(C)(C)COC(=O)[C@@H]1C[C@H]1C 779456944 582873326 /nfs/dbraw/zinc/87/33/26/582873326.db2.gz RGRIIDVNCHNXLZ-NXEZZACHSA-N 0 0 194.274 2.235 10 30 AEEERN CC#CCCNC(=O)/C=C\C(C)(C)C 779447064 582873338 /nfs/dbraw/zinc/87/33/38/582873338.db2.gz PYGWKIJNPIXYQL-HJWRWDBZSA-N 0 0 193.290 2.118 10 30 AEEERN C#CCC(C)(C)COC(=O)[C@@H]1C[C@@H]1C 779456945 582873379 /nfs/dbraw/zinc/87/33/79/582873379.db2.gz RGRIIDVNCHNXLZ-VHSXEESVSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCCCCCOC(=O)[C@H]1C[C@H]1C 779454116 582873507 /nfs/dbraw/zinc/87/35/07/582873507.db2.gz CQFXFLPZSRSXMF-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCCCOC(=O)[C@@H]1C[C@H]1C 779454110 582873709 /nfs/dbraw/zinc/87/37/09/582873709.db2.gz CQFXFLPZSRSXMF-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCCNC(=O)/C=C/C(C)(C)C 779447063 582873748 /nfs/dbraw/zinc/87/37/48/582873748.db2.gz PYGWKIJNPIXYQL-CMDGGOBGSA-N 0 0 193.290 2.118 10 30 AEEERN CCON=C(C)c1ncccc1CC 779767282 582874368 /nfs/dbraw/zinc/87/43/68/582874368.db2.gz FDDFZFLXNWDSSV-UHFFFAOYSA-N 0 0 192.262 2.405 10 30 AEEERN N#Cc1ccc(OC(=O)C2=CCC2)cc1 779705620 582874522 /nfs/dbraw/zinc/87/45/22/582874522.db2.gz FDHDSAUQEHKSFU-UHFFFAOYSA-N 0 0 199.209 2.184 10 30 AEEERN CCC(C)N=Nc1cccc(OC)n1 779818713 582874930 /nfs/dbraw/zinc/87/49/30/582874930.db2.gz AWXIBZNXVPYAKE-UHFFFAOYSA-N 0 0 193.250 2.288 10 30 AEEERN CCCNN=C[C@@H]1CCO[C@H](CC)C1 779773963 582874943 /nfs/dbraw/zinc/87/49/43/582874943.db2.gz VYUNPLPMMZJACR-GHMZBOCLSA-N 0 0 198.310 2.177 10 30 AEEERN CCCNN=C[C@H]1CCO[C@@H](CC)C1 779773965 582874975 /nfs/dbraw/zinc/87/49/75/582874975.db2.gz VYUNPLPMMZJACR-QWRGUYRKSA-N 0 0 198.310 2.177 10 30 AEEERN CCCNN=C[C@H]1CCO[C@H](CC)C1 779773966 582874977 /nfs/dbraw/zinc/87/49/77/582874977.db2.gz VYUNPLPMMZJACR-WDEREUQCSA-N 0 0 198.310 2.177 10 30 AEEERN CCCNN=C[C@@H]1CCO[C@@H](CC)C1 779773964 582875149 /nfs/dbraw/zinc/87/51/49/582875149.db2.gz VYUNPLPMMZJACR-MNOVXSKESA-N 0 0 198.310 2.177 10 30 AEEERN CCC[C@@H](C)CN=Nc1ccncc1 779806609 582875359 /nfs/dbraw/zinc/87/53/59/582875359.db2.gz CFEAYIKQXWXJLJ-SNVBAGLBSA-N 0 0 191.278 2.337 10 30 AEEERN CCC[C@H](C)CN=Nc1ccncc1 779806608 582875399 /nfs/dbraw/zinc/87/53/99/582875399.db2.gz CFEAYIKQXWXJLJ-JTQLQIEISA-N 0 0 191.278 2.337 10 30 AEEERN C#CCCCCCC(=O)N[C@@H]1C[C@H]1C 779902629 582875899 /nfs/dbraw/zinc/87/58/99/582875899.db2.gz GPPIGVMRPWBYTN-GHMZBOCLSA-N 0 0 193.290 2.095 10 30 AEEERN CC[C@H](C)[C@@H](C)C(=O)OC[C@@H](C)C#N 780448296 582877261 /nfs/dbraw/zinc/87/72/61/582877261.db2.gz ZBCPEXCQHAGFNU-LPEHRKFASA-N 0 0 197.278 2.371 10 30 AEEERN CC[C@H](C)[C@H](C)C(=O)OC[C@@H](C)C#N 780448291 582877267 /nfs/dbraw/zinc/87/72/67/582877267.db2.gz ZBCPEXCQHAGFNU-GUBZILKMSA-N 0 0 197.278 2.371 10 30 AEEERN CC[C@H](C)[C@@H](C)C(=O)OC[C@H](C)C#N 780448295 582877294 /nfs/dbraw/zinc/87/72/94/582877294.db2.gz ZBCPEXCQHAGFNU-KXUCPTDWSA-N 0 0 197.278 2.371 10 30 AEEERN CC[C@H](C)[C@H](C)C(=O)OC[C@H](C)C#N 780448298 582877428 /nfs/dbraw/zinc/87/74/28/582877428.db2.gz ZBCPEXCQHAGFNU-UTLUCORTSA-N 0 0 197.278 2.371 10 30 AEEERN CC(C)C(=O)OCC1(C#N)CCCC1 780533214 582877438 /nfs/dbraw/zinc/87/74/38/582877438.db2.gz QFYOVICVIHLZOL-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCCCCC(=O)OCCC#C 780321618 582877488 /nfs/dbraw/zinc/87/74/88/582877488.db2.gz DXOITFOKONKIEH-UHFFFAOYSA-N 0 0 192.258 2.137 10 30 AEEERN CCCC(=O)OCC1(C#N)CCCC1 780533466 582877561 /nfs/dbraw/zinc/87/75/61/582877561.db2.gz VXECRKGSWPQJDX-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C#CCCCCCC(=O)O[C@@H](C)C#C 780384020 582877651 /nfs/dbraw/zinc/87/76/51/582877651.db2.gz AYLRIDXQHJONAW-NSHDSACASA-N 0 0 192.258 2.135 10 30 AEEERN N#CC1(COC(=O)C2CC2)CCCC1 780533065 582877772 /nfs/dbraw/zinc/87/77/72/582877772.db2.gz UGMSUPIASMGTCA-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C#CCCN(Cc1ccccc1)OC 780340899 582877787 /nfs/dbraw/zinc/87/77/87/582877787.db2.gz DYTPOMWBDJGMQA-UHFFFAOYSA-N 0 0 189.258 2.073 10 30 AEEERN C#CCCCCCC(=O)O[C@H](C)C#C 780384019 582877853 /nfs/dbraw/zinc/87/78/53/582877853.db2.gz AYLRIDXQHJONAW-LLVKDONJSA-N 0 0 192.258 2.135 10 30 AEEERN CC#CCN(Cc1ccccc1)OC 780348653 582877912 /nfs/dbraw/zinc/87/79/12/582877912.db2.gz DGCDXSMHNVLGKE-UHFFFAOYSA-N 0 0 189.258 2.073 10 30 AEEERN C=C(CC)COC(=O)C1(OC)CCC1 781733298 582881717 /nfs/dbraw/zinc/88/17/17/582881717.db2.gz GVRNAYJJGDBZLZ-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN CCON(C)c1cccc(F)c1C#N 780660865 582878908 /nfs/dbraw/zinc/87/89/08/582878908.db2.gz GNVDVFHKFAEZGN-UHFFFAOYSA-N 0 0 194.209 2.085 10 30 AEEERN C=C[C@H](C)OC(=O)CCc1ccoc1 781568405 582880652 /nfs/dbraw/zinc/88/06/52/582880652.db2.gz FRENNQPVBVWTTI-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN CC(C)(C#N)COC(=O)C1(C)CCC1 781469538 582879543 /nfs/dbraw/zinc/87/95/43/582879543.db2.gz LWJBKBYFAYSUTN-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)(C#N)COC(=O)[C@H]1CC1(C)C 781470528 582879584 /nfs/dbraw/zinc/87/95/84/582879584.db2.gz XXHLZJLXLZAHQS-MRVPVSSYSA-N 0 0 195.262 2.125 10 30 AEEERN CCC/C=C/C(=O)OCC(C)(C)C#N 781475962 582879689 /nfs/dbraw/zinc/87/96/89/582879689.db2.gz CKEJAWFPMQPEMO-VOTSOKGWSA-N 0 0 195.262 2.436 10 30 AEEERN CC(C)(C#N)COC(=O)/C=C\C1CC1 781470416 582879704 /nfs/dbraw/zinc/87/97/04/582879704.db2.gz RVUISFGMCDXFJL-WAYWQWQTSA-N 0 0 193.246 2.046 10 30 AEEERN C[C@@H](C(=O)OCC(C)(C)C#N)C1CC1 781476381 582879803 /nfs/dbraw/zinc/87/98/03/582879803.db2.gz HDQPACRSITZQIC-MRVPVSSYSA-N 0 0 195.262 2.125 10 30 AEEERN CC(C)(C#N)COC(=O)C=C1CCC1 781471381 582879854 /nfs/dbraw/zinc/87/98/54/582879854.db2.gz YSOSUXUVYGTJDD-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN CC(C)(C#N)COC(=O)/C=C/C1CC1 781470415 582879920 /nfs/dbraw/zinc/87/99/20/582879920.db2.gz RVUISFGMCDXFJL-AATRIKPKSA-N 0 0 193.246 2.046 10 30 AEEERN CC(C)(C#N)COC(=O)C1=CCCC1 781466827 582879970 /nfs/dbraw/zinc/87/99/70/582879970.db2.gz NVAUCXYONLJSTK-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCCC(=O)OCC(C)(C)C#N 781467814 582880042 /nfs/dbraw/zinc/88/00/42/582880042.db2.gz UFYWUNKLGBIKCH-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN Cc1cc(C(=O)O[C@@H](C)CC#N)co1 781475645 582880055 /nfs/dbraw/zinc/88/00/55/582880055.db2.gz YCDDWJIXSNUHRU-ZETCQYMHSA-N 0 0 193.202 2.047 10 30 AEEERN CC(C)(C#N)COC(=O)[C@@H]1CC1(C)C 781470529 582880099 /nfs/dbraw/zinc/88/00/99/582880099.db2.gz XXHLZJLXLZAHQS-QMMMGPOBSA-N 0 0 195.262 2.125 10 30 AEEERN CC(C)(C#N)COC(=O)CCC1CC1 781469044 582880188 /nfs/dbraw/zinc/88/01/88/582880188.db2.gz GLHHSJPXSHPAGH-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CCC1(C(=O)OCC(C)(C)C#N)CC1 781475960 582880248 /nfs/dbraw/zinc/88/02/48/582880248.db2.gz CCOIQUGUBKDCCK-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CCC/C=C\C(=O)OCC(C)(C)C#N 781475961 582880251 /nfs/dbraw/zinc/88/02/51/582880251.db2.gz CKEJAWFPMQPEMO-SREVYHEPSA-N 0 0 195.262 2.436 10 30 AEEERN Cc1cc(C(=O)O[C@H](C)CC#N)co1 781475644 582880294 /nfs/dbraw/zinc/88/02/94/582880294.db2.gz YCDDWJIXSNUHRU-SSDOTTSWSA-N 0 0 193.202 2.047 10 30 AEEERN CC(C)(C#N)COC(=O)C1CCCC1 781470587 582880308 /nfs/dbraw/zinc/88/03/08/582880308.db2.gz QWQBHVNKNIXBJZ-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C#C[C@H](CC)OC(=O)c1coc(C)c1 781565661 582880472 /nfs/dbraw/zinc/88/04/72/582880472.db2.gz WHURTQPAZDSSAQ-SNVBAGLBSA-N 0 0 192.214 2.157 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cnccc1C 781576243 582880478 /nfs/dbraw/zinc/88/04/78/582880478.db2.gz GZMUPKJJIGSTMT-SECBINFHSA-N 0 0 191.230 2.121 10 30 AEEERN CC(C)[C@@H](C)C(=O)OCC(C)(C)C#N 781477005 582880480 /nfs/dbraw/zinc/88/04/80/582880480.db2.gz NKKDNFHSSCANQK-SECBINFHSA-N 0 0 197.278 2.371 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cc(C)[nH]c1C 781576367 582880489 /nfs/dbraw/zinc/88/04/89/582880489.db2.gz JPGBUILSJZACMO-MRVPVSSYSA-N 0 0 193.246 2.363 10 30 AEEERN C[C@H](C(=O)OCC(C)(C)C#N)C1CC1 781476382 582880501 /nfs/dbraw/zinc/88/05/01/582880501.db2.gz HDQPACRSITZQIC-QMMMGPOBSA-N 0 0 195.262 2.125 10 30 AEEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)C=C 781580575 582880518 /nfs/dbraw/zinc/88/05/18/582880518.db2.gz RHPOXVDSQFZHDY-VHSXEESVSA-N 0 0 198.262 2.085 10 30 AEEERN Cc1cc(C(=O)OC(C)(C)C#N)co1 781513913 582880537 /nfs/dbraw/zinc/88/05/37/582880537.db2.gz IOSDWTJOIIVQHG-UHFFFAOYSA-N 0 0 193.202 2.047 10 30 AEEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)C=C 781580576 582880553 /nfs/dbraw/zinc/88/05/53/582880553.db2.gz RHPOXVDSQFZHDY-ZJUUUORDSA-N 0 0 198.262 2.085 10 30 AEEERN C=CCOCCCC(=O)O[C@@H](C)C=C 781573825 582880565 /nfs/dbraw/zinc/88/05/65/582880565.db2.gz LXRWCFZNKOCRLA-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1coc(C)c1 781565660 582880645 /nfs/dbraw/zinc/88/06/45/582880645.db2.gz WHURTQPAZDSSAQ-JTQLQIEISA-N 0 0 192.214 2.157 10 30 AEEERN CC/C=C(\C)C(=O)OCC(C)(C)C#N 781477100 582880650 /nfs/dbraw/zinc/88/06/50/582880650.db2.gz RRXRBOXWDHAYKS-RMKNXTFCSA-N 0 0 195.262 2.436 10 30 AEEERN C=CCOCCCC(=O)O[C@H](C)C=C 781573826 582880705 /nfs/dbraw/zinc/88/07/05/582880705.db2.gz LXRWCFZNKOCRLA-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=C[C@H](C)OC(=O)c1cccnc1C 781578108 582880710 /nfs/dbraw/zinc/88/07/10/582880710.db2.gz GKIZVUCZJJWVAD-QMMMGPOBSA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@H](C)OC(=O)C[C@@H]1CCCCO1 781568660 582880713 /nfs/dbraw/zinc/88/07/13/582880713.db2.gz OMGZJECDDKUFMK-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN CC(C)[C@H](C)C(=O)OCC(C)(C)C#N 781477007 582880715 /nfs/dbraw/zinc/88/07/15/582880715.db2.gz NKKDNFHSSCANQK-VIFPVBQESA-N 0 0 197.278 2.371 10 30 AEEERN C=C[C@H](C)OC(=O)c1c(C)noc1C 781577118 582880722 /nfs/dbraw/zinc/88/07/22/582880722.db2.gz TUTSOHQIAHRDCE-LURJTMIESA-N 0 0 195.218 2.023 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccc(C)cn1 781568561 582880727 /nfs/dbraw/zinc/88/07/27/582880727.db2.gz MAKSCSLLXRTONA-SECBINFHSA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@@H](C)OC(=O)CCc1ccoc1 781568404 582880733 /nfs/dbraw/zinc/88/07/33/582880733.db2.gz FRENNQPVBVWTTI-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cccnc1C 781578107 582880752 /nfs/dbraw/zinc/88/07/52/582880752.db2.gz GKIZVUCZJJWVAD-MRVPVSSYSA-N 0 0 191.230 2.121 10 30 AEEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)C=C 781580574 582880757 /nfs/dbraw/zinc/88/07/57/582880757.db2.gz RHPOXVDSQFZHDY-UWVGGRQHSA-N 0 0 198.262 2.085 10 30 AEEERN C=C[C@@H](C)OC(=O)C[C@H]1CCCCO1 781568653 582880774 /nfs/dbraw/zinc/88/07/74/582880774.db2.gz OMGZJECDDKUFMK-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](C)OC(=O)COC1(C)CCC1 781568936 582880805 /nfs/dbraw/zinc/88/08/05/582880805.db2.gz NDBTUGUJXNXBJF-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cccc(C)n1 781573601 582880814 /nfs/dbraw/zinc/88/08/14/582880814.db2.gz GNMYBTUUHZPYBM-SECBINFHSA-N 0 0 191.230 2.121 10 30 AEEERN CC(C)(C#N)COC(=O)C1CC=CC1 781478965 582880840 /nfs/dbraw/zinc/88/08/40/582880840.db2.gz ZYIBLICSCRUGSL-UHFFFAOYSA-N 0 0 193.246 2.046 10 30 AEEERN CC(C)(C#N)COC(=O)CC1CCC1 781476620 582880854 /nfs/dbraw/zinc/88/08/54/582880854.db2.gz LOMSBEXTTIGTMH-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C=C[C@@H](C)OC(=O)COC1(C)CCC1 781568934 582880864 /nfs/dbraw/zinc/88/08/64/582880864.db2.gz NDBTUGUJXNXBJF-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](C)OC(=O)c1cc(C)[nH]c1C 781576378 582880876 /nfs/dbraw/zinc/88/08/76/582880876.db2.gz JPGBUILSJZACMO-QMMMGPOBSA-N 0 0 193.246 2.363 10 30 AEEERN C=C[C@H](C)OC(=O)c1cccc(C)n1 781573602 582880901 /nfs/dbraw/zinc/88/09/01/582880901.db2.gz GNMYBTUUHZPYBM-VIFPVBQESA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@@H](C)OC(=O)C[C@@H]1CCCCO1 781568665 582880915 /nfs/dbraw/zinc/88/09/15/582880915.db2.gz OMGZJECDDKUFMK-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](C)OC(=O)c1cnccc1C 781576244 582880925 /nfs/dbraw/zinc/88/09/25/582880925.db2.gz GZMUPKJJIGSTMT-VIFPVBQESA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@@H](C)OC(=O)c1c(C)noc1C 781577120 582880938 /nfs/dbraw/zinc/88/09/38/582880938.db2.gz TUTSOHQIAHRDCE-ZCFIWIBFSA-N 0 0 195.218 2.023 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C/c1ccco1 781579036 582880949 /nfs/dbraw/zinc/88/09/49/582880949.db2.gz WFDZGOHQPVMBNV-UCUJLANTSA-N 0 0 192.214 2.411 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C/c1ccco1 781579037 582880952 /nfs/dbraw/zinc/88/09/52/582880952.db2.gz WFDZGOHQPVMBNV-XCODYQFDSA-N 0 0 192.214 2.411 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccc(C)cn1 781568565 582880960 /nfs/dbraw/zinc/88/09/60/582880960.db2.gz MAKSCSLLXRTONA-VIFPVBQESA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@H](C)OC(=O)C[C@H]1CCCCO1 781568664 582880964 /nfs/dbraw/zinc/88/09/64/582880964.db2.gz OMGZJECDDKUFMK-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN CC/C=C(/C)C(=O)OCC(C)(C)C#N 781477102 582880974 /nfs/dbraw/zinc/88/09/74/582880974.db2.gz RRXRBOXWDHAYKS-TWGQIWQCSA-N 0 0 195.262 2.436 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@@H](CC)O1 781580435 582881072 /nfs/dbraw/zinc/88/10/72/582881072.db2.gz LUWVFIOXBIBXOI-IVZWLZJFSA-N 0 0 198.262 2.062 10 30 AEEERN C=C[C@H](C)OC(=O)Cc1ccc(C)o1 781578450 582881130 /nfs/dbraw/zinc/88/11/30/582881130.db2.gz CCQHHOVFAVGTPV-QMMMGPOBSA-N 0 0 194.230 2.248 10 30 AEEERN C=C[C@@H](C)OC(=O)CC[C@H]1CCCO1 781583145 582881174 /nfs/dbraw/zinc/88/11/74/582881174.db2.gz GETHDAXDRSEYHC-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](C)OC(=O)CC[C@@H]1CCCO1 781583147 582881177 /nfs/dbraw/zinc/88/11/77/582881177.db2.gz GETHDAXDRSEYHC-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C#CCCOC(=O)CCCCCC#N 805694942 582881178 /nfs/dbraw/zinc/88/11/78/582881178.db2.gz BGBVYCSXUKJTLM-UHFFFAOYSA-N 0 0 193.246 2.027 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C\c1ccco1 781579035 582881186 /nfs/dbraw/zinc/88/11/86/582881186.db2.gz WFDZGOHQPVMBNV-NMTCXDENSA-N 0 0 192.214 2.411 10 30 AEEERN C=CCCO[C@H](C)C(=O)O[C@H](C)C=C 781580573 582881246 /nfs/dbraw/zinc/88/12/46/582881246.db2.gz RHPOXVDSQFZHDY-NXEZZACHSA-N 0 0 198.262 2.085 10 30 AEEERN C=C[C@@H](C)OC(=O)COC1CCCC1 781581345 582881260 /nfs/dbraw/zinc/88/12/60/582881260.db2.gz VXKZWJFGHXJVQO-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](C)OC(=O)CC[C@@H]1CCCO1 781583150 582881317 /nfs/dbraw/zinc/88/13/17/582881317.db2.gz GETHDAXDRSEYHC-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@H](C)OC(=O)COC1CCCC1 781581346 582881337 /nfs/dbraw/zinc/88/13/37/582881337.db2.gz VXKZWJFGHXJVQO-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ncccc1C 781583706 582881357 /nfs/dbraw/zinc/88/13/57/582881357.db2.gz VNHULYHRKFLLRW-SECBINFHSA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@H](CC)O1 781580433 582881364 /nfs/dbraw/zinc/88/13/64/582881364.db2.gz LUWVFIOXBIBXOI-GUBZILKMSA-N 0 0 198.262 2.062 10 30 AEEERN C=C[C@@H](C)OC(=O)Cc1ccc(C)o1 781578448 582881376 /nfs/dbraw/zinc/88/13/76/582881376.db2.gz CCQHHOVFAVGTPV-MRVPVSSYSA-N 0 0 194.230 2.248 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccc(C)n1C 781582994 582881379 /nfs/dbraw/zinc/88/13/79/582881379.db2.gz ASGSAGMHZZESOO-SECBINFHSA-N 0 0 193.246 2.065 10 30 AEEERN C=C[C@@H](C)OC(=O)CCc1ccco1 781580907 582881401 /nfs/dbraw/zinc/88/14/01/582881401.db2.gz JDFKAPXPEWVRFV-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccc(C)n1C 781582995 582881415 /nfs/dbraw/zinc/88/14/15/582881415.db2.gz ASGSAGMHZZESOO-VIFPVBQESA-N 0 0 193.246 2.065 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@@H](CC)O1 781580431 582881435 /nfs/dbraw/zinc/88/14/35/582881435.db2.gz LUWVFIOXBIBXOI-AEJSXWLSSA-N 0 0 198.262 2.062 10 30 AEEERN C=C[C@H](C)OC(=O)CCc1ccco1 781580908 582881451 /nfs/dbraw/zinc/88/14/51/582881451.db2.gz JDFKAPXPEWVRFV-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C\c1ccco1 781579034 582881453 /nfs/dbraw/zinc/88/14/53/582881453.db2.gz WFDZGOHQPVMBNV-ATJFRQLMSA-N 0 0 192.214 2.411 10 30 AEEERN C=C[C@H](C)OC(=O)c1ncccc1C 781583707 582881458 /nfs/dbraw/zinc/88/14/58/582881458.db2.gz VNHULYHRKFLLRW-VIFPVBQESA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@H](CC)O1 781580436 582881483 /nfs/dbraw/zinc/88/14/83/582881483.db2.gz LUWVFIOXBIBXOI-LPEHRKFASA-N 0 0 198.262 2.062 10 30 AEEERN C=C[C@H](C)OC(=O)CC[C@H]1CCCO1 781583148 582881549 /nfs/dbraw/zinc/88/15/49/582881549.db2.gz GETHDAXDRSEYHC-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C[C@H](C#N)OC(=O)[C@@H]1CCC(C)(C)C1 781695652 582881702 /nfs/dbraw/zinc/88/17/02/582881702.db2.gz DRBIJMFXMHNNDM-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCCOC(=O)C1(OC)CCC1 781730800 582881705 /nfs/dbraw/zinc/88/17/05/582881705.db2.gz BDGGNAKHTUMMPD-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCC(C)(C)C1 781805886 582881708 /nfs/dbraw/zinc/88/17/08/582881708.db2.gz HFQAPOUFDZMICK-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN C[C@@H](C#N)OC(=O)[C@@H]1CCC(C)(C)C1 781695648 582881758 /nfs/dbraw/zinc/88/17/58/582881758.db2.gz DRBIJMFXMHNNDM-DTWKUNHWSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](C#N)OC(=O)[C@H]1CCC(C)(C)C1 781695651 582881775 /nfs/dbraw/zinc/88/17/75/582881775.db2.gz DRBIJMFXMHNNDM-IUCAKERBSA-N 0 0 195.262 2.268 10 30 AEEERN C=C[C@@H](CC)OC(=O)C1(OC)CCC1 781835286 582881781 /nfs/dbraw/zinc/88/17/81/582881781.db2.gz NJQWCYVSEPAOFK-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H]1CCC(C)(C)C1 781805883 582881808 /nfs/dbraw/zinc/88/18/08/582881808.db2.gz HFQAPOUFDZMICK-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H]1CCC(C)(C)C1 781805888 582881848 /nfs/dbraw/zinc/88/18/48/582881848.db2.gz HFQAPOUFDZMICK-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCCOC(=O)C(C)(C)C1CC1 805701203 582881862 /nfs/dbraw/zinc/88/18/62/582881862.db2.gz DQNHAZKFHFQMMH-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@H](C#N)OC(=O)[C@H]1CCC(C)(C)C1 781695645 582881966 /nfs/dbraw/zinc/88/19/66/582881966.db2.gz DRBIJMFXMHNNDM-BDAKNGLRSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCC(C)(C)C1 781805887 582881979 /nfs/dbraw/zinc/88/19/79/582881979.db2.gz HFQAPOUFDZMICK-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C=C[C@H](CC)OC(=O)C1(OC)CCC1 781835285 582882022 /nfs/dbraw/zinc/88/20/22/582882022.db2.gz NJQWCYVSEPAOFK-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN CC#CCCOC(=O)c1occc1C 782146538 582882243 /nfs/dbraw/zinc/88/22/43/582882243.db2.gz BETHUGSCZYGFLJ-UHFFFAOYSA-N 0 0 192.214 2.158 10 30 AEEERN CC#CCCOC(=O)[C@H]1CC=CCC1 782146665 582882663 /nfs/dbraw/zinc/88/26/63/582882663.db2.gz FFCTUKUGPVHGRI-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCCOC(=O)[C@@H]1CC=CCC1 782146664 582882720 /nfs/dbraw/zinc/88/27/20/582882720.db2.gz FFCTUKUGPVHGRI-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCCOC(=O)c1ccoc1C 782146546 582882776 /nfs/dbraw/zinc/88/27/76/582882776.db2.gz BIKBIJBOJZELKD-UHFFFAOYSA-N 0 0 192.214 2.158 10 30 AEEERN CON=C(C)[C@H](OC)c1ccccc1 782198148 582883235 /nfs/dbraw/zinc/88/32/35/582883235.db2.gz ASRGZCNLGCJZIC-NSHDSACASA-N 0 0 193.246 2.396 10 30 AEEERN CCOc1ccc(C=NOC)cc1F 782198254 582883592 /nfs/dbraw/zinc/88/35/92/582883592.db2.gz DZTIZZKOOQVHJH-UHFFFAOYSA-N 0 0 197.209 2.205 10 30 AEEERN CON=C(C)[C@@H](OC)c1ccccc1 782198147 582883680 /nfs/dbraw/zinc/88/36/80/582883680.db2.gz ASRGZCNLGCJZIC-LLVKDONJSA-N 0 0 193.246 2.396 10 30 AEEERN CC[C@H](C#N)OC(=O)C1=CCCCC1 782447918 582883964 /nfs/dbraw/zinc/88/39/64/582883964.db2.gz CLBQUCDABQMGPT-SNVBAGLBSA-N 0 0 193.246 2.332 10 30 AEEERN CC[C@H]1CC[C@H](C(=O)OCC#N)CC1 782396876 582884509 /nfs/dbraw/zinc/88/45/09/582884509.db2.gz HIETVPORGBNDLH-MGCOHNPYSA-N 0 0 195.262 2.270 10 30 AEEERN CC[C@@H](C#N)OC(=O)C1=CCCCC1 782447916 582884731 /nfs/dbraw/zinc/88/47/31/582884731.db2.gz CLBQUCDABQMGPT-JTQLQIEISA-N 0 0 193.246 2.332 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1=CCCCC1 783138416 582886041 /nfs/dbraw/zinc/88/60/41/582886041.db2.gz XOSFWPPJEUNLCS-NSHDSACASA-N 0 0 192.258 2.442 10 30 AEEERN C=C(C)[C@@H](CC(=O)OC1CC1)OCC 783185341 582886045 /nfs/dbraw/zinc/88/60/45/582886045.db2.gz CPWWDEUKRSHFPC-SNVBAGLBSA-N 0 0 198.262 2.063 10 30 AEEERN C#C[C@H](CC)OC(=O)C1=CCCCC1 783138415 582886170 /nfs/dbraw/zinc/88/61/70/582886170.db2.gz XOSFWPPJEUNLCS-LLVKDONJSA-N 0 0 192.258 2.442 10 30 AEEERN C[C@H]1C[C@H](CON=C2CCC2)CCO1 783028482 582886211 /nfs/dbraw/zinc/88/62/11/582886211.db2.gz ZOLZHMSHSJBJPS-VHSXEESVSA-N 0 0 197.278 2.358 10 30 AEEERN C=C(C)[C@H](CC(=O)OC1CC1)OCC 783185339 582886280 /nfs/dbraw/zinc/88/62/80/582886280.db2.gz CPWWDEUKRSHFPC-JTQLQIEISA-N 0 0 198.262 2.063 10 30 AEEERN C[C@H]1C[C@@H](CON=C2CCC2)CCO1 783028480 582886287 /nfs/dbraw/zinc/88/62/87/582886287.db2.gz ZOLZHMSHSJBJPS-UWVGGRQHSA-N 0 0 197.278 2.358 10 30 AEEERN C[C@@H](CC#N)OC(=O)C1=CCCCC1 783098001 582886397 /nfs/dbraw/zinc/88/63/97/582886397.db2.gz KEGFHGBUSIIZRX-VIFPVBQESA-N 0 0 193.246 2.332 10 30 AEEERN CC(C)(C)CCNN=C1CCCOC1 782908308 582886466 /nfs/dbraw/zinc/88/64/66/582886466.db2.gz UKOLRUBXAVOEHL-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN CC(C)(C#N)OC(=O)C1=CCCCC1 783107121 582886488 /nfs/dbraw/zinc/88/64/88/582886488.db2.gz LLMCEUHJNFUTRN-UHFFFAOYSA-N 0 0 193.246 2.332 10 30 AEEERN CON=C(C)Cc1ccn(C(C)C)n1 782900449 582886504 /nfs/dbraw/zinc/88/65/04/582886504.db2.gz JULQYLBYBLOAIC-UHFFFAOYSA-N 0 0 195.266 2.029 10 30 AEEERN C[C@H](CC#N)OC(=O)C1=CCCCC1 783097993 582886509 /nfs/dbraw/zinc/88/65/09/582886509.db2.gz KEGFHGBUSIIZRX-SECBINFHSA-N 0 0 193.246 2.332 10 30 AEEERN CON=Cc1cccc2cnccc12 782899682 582886561 /nfs/dbraw/zinc/88/65/61/582886561.db2.gz DMHAKXYDEUQFES-UHFFFAOYSA-N 0 0 186.214 2.215 10 30 AEEERN C[C@@H]1C[C@H](CON=C2CCC2)CCO1 783028478 582886824 /nfs/dbraw/zinc/88/68/24/582886824.db2.gz ZOLZHMSHSJBJPS-NXEZZACHSA-N 0 0 197.278 2.358 10 30 AEEERN C[C@@H]1C[C@@H](CON=C2CCC2)CCO1 783028484 582886865 /nfs/dbraw/zinc/88/68/65/582886865.db2.gz ZOLZHMSHSJBJPS-ZJUUUORDSA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)(C#N)C(=O)OCCC1CCC1 783443394 582887573 /nfs/dbraw/zinc/88/75/73/582887573.db2.gz HPOLQSKQMRIPRJ-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCNC(=O)CC(C)(C)CCC 783479011 582887586 /nfs/dbraw/zinc/88/75/86/582887586.db2.gz ODIKPAHSTYVGLZ-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C1COCCC(=NOCCC2CC2)C1 783559247 582887766 /nfs/dbraw/zinc/88/77/66/582887766.db2.gz FLWXQKTXQIJNTA-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN C=CCN(CC=C)C(=O)[C@H](F)C(C)C 784035776 582889625 /nfs/dbraw/zinc/88/96/25/582889625.db2.gz AKHUSQVGIOKSDY-SNVBAGLBSA-N 0 0 199.269 2.181 10 30 AEEERN CCC/C(C)=C/C(=O)NCCCC#N 784134082 582889353 /nfs/dbraw/zinc/88/93/53/582889353.db2.gz GJJGAWZRSPMQJN-MDZDMXLPSA-N 0 0 194.278 2.153 10 30 AEEERN CC(C)(C)/C=C\C(=O)NCCCC#N 784138703 582889743 /nfs/dbraw/zinc/88/97/43/582889743.db2.gz RXVCAGOUQLFEMI-SREVYHEPSA-N 0 0 194.278 2.009 10 30 AEEERN CC(C)(C)/C=C/C(=O)NCCCC#N 784138712 582889778 /nfs/dbraw/zinc/88/97/78/582889778.db2.gz RXVCAGOUQLFEMI-VOTSOKGWSA-N 0 0 194.278 2.009 10 30 AEEERN C=CCCOC(=O)c1c(C)ccn1C 784290451 582889848 /nfs/dbraw/zinc/88/98/48/582889848.db2.gz BOPPJOZPFOOLIP-UHFFFAOYSA-N 0 0 193.246 2.066 10 30 AEEERN CCC/C(C)=C\C(=O)NCCCC#N 784134078 582889895 /nfs/dbraw/zinc/88/98/95/582889895.db2.gz GJJGAWZRSPMQJN-KTKRTIGZSA-N 0 0 194.278 2.153 10 30 AEEERN C#CCN(CC)C(=O)C(C)(C)C(C)C 784074429 582889947 /nfs/dbraw/zinc/88/99/47/582889947.db2.gz HFAFRYAFVRPUIL-UHFFFAOYSA-N 0 0 195.306 2.150 10 30 AEEERN C=CCN(CC=C)C(=O)[C@@H](F)C(C)C 784035775 582889995 /nfs/dbraw/zinc/88/99/95/582889995.db2.gz AKHUSQVGIOKSDY-JTQLQIEISA-N 0 0 199.269 2.181 10 30 AEEERN C=C[C@@H](C)OC(=O)c1c(C)ccn1C 784558767 582890567 /nfs/dbraw/zinc/89/05/67/582890567.db2.gz ZLVQPVLCAAMQRY-SECBINFHSA-N 0 0 193.246 2.065 10 30 AEEERN C#C[C@@H](C)OC(=O)C12CCC(CC1)C2 784881295 582890691 /nfs/dbraw/zinc/89/06/91/582890691.db2.gz RWPDOXAJIOFSRV-GRZMOONWSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](C)OC(=O)C12CCC(CC1)C2 784881293 582890965 /nfs/dbraw/zinc/89/09/65/582890965.db2.gz RWPDOXAJIOFSRV-BMQDGWLCSA-N 0 0 192.258 2.132 10 30 AEEERN C=C[C@H](C)OC(=O)c1c(C)ccn1C 784558768 582890978 /nfs/dbraw/zinc/89/09/78/582890978.db2.gz ZLVQPVLCAAMQRY-VIFPVBQESA-N 0 0 193.246 2.065 10 30 AEEERN CC(C)/C=C/C(=O)OCCCCC#N 785042514 582891324 /nfs/dbraw/zinc/89/13/24/582891324.db2.gz OATKEVKVHWDOHW-VOTSOKGWSA-N 0 0 195.262 2.436 10 30 AEEERN C=C1CCN(C(=O)OCC2CC2)CC1 785034400 582891524 /nfs/dbraw/zinc/89/15/24/582891524.db2.gz FJEOCTJNHQLDBJ-UHFFFAOYSA-N 0 0 195.262 2.185 10 30 AEEERN C=CCCCN(C)C(=O)OCC1CC1 785079136 582891734 /nfs/dbraw/zinc/89/17/34/582891734.db2.gz VMAZLKCRTLKWMR-UHFFFAOYSA-N 0 0 197.278 2.431 10 30 AEEERN CC(C)/C=C/C(=O)OCC1(C#N)CC1 785077585 582891745 /nfs/dbraw/zinc/89/17/45/582891745.db2.gz LAELHGVYDSSDGL-ONEGZZNKSA-N 0 0 193.246 2.046 10 30 AEEERN CC(C)/C=C\C(=O)OCC1(C#N)CC1 785077584 582891879 /nfs/dbraw/zinc/89/18/79/582891879.db2.gz LAELHGVYDSSDGL-ARJAWSKDSA-N 0 0 193.246 2.046 10 30 AEEERN CC(C)/C=C\C(=O)OCCCCC#N 785042513 582891891 /nfs/dbraw/zinc/89/18/91/582891891.db2.gz OATKEVKVHWDOHW-SREVYHEPSA-N 0 0 195.262 2.436 10 30 AEEERN C=CCCOC(=O)[C@@H]1CCC(C)(C)O1 785234207 582892544 /nfs/dbraw/zinc/89/25/44/582892544.db2.gz RTROCFVFVAYQQT-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)COC(=O)[C@@H]1CCC(C)(C)O1 785238126 582892570 /nfs/dbraw/zinc/89/25/70/582892570.db2.gz JQQZBQWWNKJTQB-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCOC(=O)[C@H]1CCC(C)(C)O1 785234204 582892727 /nfs/dbraw/zinc/89/27/27/582892727.db2.gz RTROCFVFVAYQQT-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C(C)COC(=O)[C@H]1CCC(C)(C)O1 785238125 582892749 /nfs/dbraw/zinc/89/27/49/582892749.db2.gz JQQZBQWWNKJTQB-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C[C@@H]1C[C@@H]1COC(=O)CC(C)(C)C#N 786363323 582895995 /nfs/dbraw/zinc/89/59/95/582895995.db2.gz UQDZHVOSLFTRHR-RKDXNWHRSA-N 0 0 195.262 2.125 10 30 AEEERN C=Cc1ccc(C(=O)OCC#N)cc1 785619274 582893466 /nfs/dbraw/zinc/89/34/66/582893466.db2.gz IBJOOBNEZPHRNN-UHFFFAOYSA-N 0 0 187.198 2.010 10 30 AEEERN C=C[C@](C)(CC)C(=O)OCCCC#N 785766341 582894101 /nfs/dbraw/zinc/89/41/01/582894101.db2.gz BAXGVZJUYQXGMW-LLVKDONJSA-N 0 0 195.262 2.436 10 30 AEEERN C=C[C@@](C)(CC)C(=O)OCCCC#N 785766342 582894178 /nfs/dbraw/zinc/89/41/78/582894178.db2.gz BAXGVZJUYQXGMW-NSHDSACASA-N 0 0 195.262 2.436 10 30 AEEERN CC(C)CON=CCC[C@@H]1CCOC1 786036788 582894780 /nfs/dbraw/zinc/89/47/80/582894780.db2.gz NLLMIRVQPCIXEK-LLVKDONJSA-N 0 0 199.294 2.462 10 30 AEEERN C1CCC(NN=C2CCCOC2)CC1 786043818 582894863 /nfs/dbraw/zinc/89/48/63/582894863.db2.gz ZHWVTBDWWBLKKB-UHFFFAOYSA-N 0 0 196.294 2.075 10 30 AEEERN C=CCCOC(=O)c1ccncc1C 786031339 582895299 /nfs/dbraw/zinc/89/52/99/582895299.db2.gz CZUMGACHVISRBF-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN CC(C)CON=CCC[C@H]1CCOC1 786036791 582895586 /nfs/dbraw/zinc/89/55/86/582895586.db2.gz NLLMIRVQPCIXEK-NSHDSACASA-N 0 0 199.294 2.462 10 30 AEEERN C#CCC(C)(C)C(=O)N(C)CCC=C 786222588 582895825 /nfs/dbraw/zinc/89/58/25/582895825.db2.gz BHETYTMCMQJBLG-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN C#CCCCC(=O)N[C@H](C)C(C)(C)C 844968591 583148218 /nfs/dbraw/zinc/14/82/18/583148218.db2.gz UVMYWCICHDBDQB-SNVBAGLBSA-N 0 0 195.306 2.341 10 30 AEEERN C[C@@H]1C[C@H]1COC(=O)CC(C)(C)C#N 786363317 582895916 /nfs/dbraw/zinc/89/59/16/582895916.db2.gz UQDZHVOSLFTRHR-BDAKNGLRSA-N 0 0 195.262 2.125 10 30 AEEERN CC/C=C/COC(=O)CC(C)(C)C#N 786344028 582896019 /nfs/dbraw/zinc/89/60/19/582896019.db2.gz IUJMFJPYXQYOCW-AATRIKPKSA-N 0 0 195.262 2.436 10 30 AEEERN CC/C=C\COC(=O)CC(C)(C)C#N 786344029 582896032 /nfs/dbraw/zinc/89/60/32/582896032.db2.gz IUJMFJPYXQYOCW-WAYWQWQTSA-N 0 0 195.262 2.436 10 30 AEEERN C=C(C)CCOC(=O)CC(C)(C)C#N 786432248 582896080 /nfs/dbraw/zinc/89/60/80/582896080.db2.gz TYDXICZRXRLHFO-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@H]1C[C@@H]1COC(=O)CC(C)(C)C#N 786363320 582896196 /nfs/dbraw/zinc/89/61/96/582896196.db2.gz UQDZHVOSLFTRHR-DTWKUNHWSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H]1C[C@H]1COC(=O)CC(C)(C)C#N 786363322 582896362 /nfs/dbraw/zinc/89/63/62/582896362.db2.gz UQDZHVOSLFTRHR-IUCAKERBSA-N 0 0 195.262 2.125 10 30 AEEERN CC(C)(C#N)CC(=O)O[C@H]1C=CCC1 786484344 582896776 /nfs/dbraw/zinc/89/67/76/582896776.db2.gz KTJYZHNVGSJYLX-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN C=CCC[C@H](C)OC(=O)/C=C/COC 786608295 582896828 /nfs/dbraw/zinc/89/68/28/582896828.db2.gz HLUJEHJEBXQZES-PCGIRMHASA-N 0 0 198.262 2.087 10 30 AEEERN C=C[C@H](CC)OC(=O)CC(C)(C)C#N 786481674 582896886 /nfs/dbraw/zinc/89/68/86/582896886.db2.gz YWBUJGWXCINEMR-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)CC(C)(C)C#N 786491668 582896892 /nfs/dbraw/zinc/89/68/92/582896892.db2.gz RIZSPIONTJYVOI-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C=CCC[C@H](C)OC(=O)/C=C\COC 786608299 582896941 /nfs/dbraw/zinc/89/69/41/582896941.db2.gz HLUJEHJEBXQZES-ZEBCKKTISA-N 0 0 198.262 2.087 10 30 AEEERN C=CCC[C@@H](C)OC(=O)/C=C/COC 786608296 582897076 /nfs/dbraw/zinc/89/70/76/582897076.db2.gz HLUJEHJEBXQZES-QEHWCHDUSA-N 0 0 198.262 2.087 10 30 AEEERN C=CCC[C@@H](C)OC(=O)/C=C\COC 786608293 582897107 /nfs/dbraw/zinc/89/71/07/582897107.db2.gz HLUJEHJEBXQZES-BJPMOSCESA-N 0 0 198.262 2.087 10 30 AEEERN C#CC[C@@H](OC(=O)[C@@H]1C[C@H]1C)C(C)C 786461140 582897181 /nfs/dbraw/zinc/89/71/81/582897181.db2.gz PMQIDBQOTFQFJL-GMTAPVOTSA-N 0 0 194.274 2.234 10 30 AEEERN CC(C)=CCOC(=O)CC(C)(C)C#N 786476087 582897275 /nfs/dbraw/zinc/89/72/75/582897275.db2.gz FWCPDQQQDALKHW-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN Fc1ccc(CON=C2CCC2)nc1 786740916 582897279 /nfs/dbraw/zinc/89/72/79/582897279.db2.gz FGUOEHMLMDBSLL-UHFFFAOYSA-N 0 0 194.209 2.277 10 30 AEEERN CC(C)(C#N)CC(=O)OC1(C)CCC1 786459289 582897317 /nfs/dbraw/zinc/89/73/17/582897317.db2.gz STZGVMPJAHXCHT-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN C=C[C@@H](CC)OC(=O)CC(C)(C)C#N 786481675 582897323 /nfs/dbraw/zinc/89/73/23/582897323.db2.gz YWBUJGWXCINEMR-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN CC(C)(C#N)CC(=O)O[C@@H]1C=CCC1 786484340 582897379 /nfs/dbraw/zinc/89/73/79/582897379.db2.gz KTJYZHNVGSJYLX-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CC(C)(C)C#N 786491669 582897397 /nfs/dbraw/zinc/89/73/97/582897397.db2.gz RIZSPIONTJYVOI-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN CC[C@H](CC#N)OC(=O)[C@H](C)C1CC1 787086178 582897653 /nfs/dbraw/zinc/89/76/53/582897653.db2.gz JTZSNJSSIUXGFH-PSASIEDQSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1CCCC1 787086628 582897684 /nfs/dbraw/zinc/89/76/84/582897684.db2.gz CCRAQGQHGVGCQP-JTQLQIEISA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@@H](CC#N)OC(=O)CC1CCC1 787089587 582897715 /nfs/dbraw/zinc/89/77/15/582897715.db2.gz UGFHMABKHQPQBU-JTQLQIEISA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@H](CC#N)OC(=O)c1ccco1 787091698 582897724 /nfs/dbraw/zinc/89/77/24/582897724.db2.gz IKTUCXDVJBNYDL-MRVPVSSYSA-N 0 0 193.202 2.129 10 30 AEEERN CC[C@@H](CC#N)OC(=O)[C@@H]1CC1(C)C 787087389 582897749 /nfs/dbraw/zinc/89/77/49/582897749.db2.gz OVKIUOLORYJCPY-IUCAKERBSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](CC#N)OC(=O)[C@H](C)C1CC1 787086179 582897753 /nfs/dbraw/zinc/89/77/53/582897753.db2.gz JTZSNJSSIUXGFH-SCZZXKLOSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](CC#N)OC(=O)[C@H]1CC1(C)C 787087387 582897784 /nfs/dbraw/zinc/89/77/84/582897784.db2.gz OVKIUOLORYJCPY-DTWKUNHWSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1(CC)CC1 787089638 582897849 /nfs/dbraw/zinc/89/78/49/582897849.db2.gz KJZZKRRALIYVHR-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@@H](CC#N)OC(=O)[C@@H](C)C1CC1 787086181 582897884 /nfs/dbraw/zinc/89/78/84/582897884.db2.gz JTZSNJSSIUXGFH-WPRPVWTQSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](CC#N)OC(=O)/C=C\C1CC1 787084128 582897894 /nfs/dbraw/zinc/89/78/94/582897894.db2.gz KRSWHBBUBBTSMK-WWQCOOJYSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@@H](CC#N)OC(=O)c1ccoc1 787099815 582897939 /nfs/dbraw/zinc/89/79/39/582897939.db2.gz TYBVBDOZRVOBOQ-VIFPVBQESA-N 0 0 193.202 2.129 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1=CCCC1 787079131 582897942 /nfs/dbraw/zinc/89/79/42/582897942.db2.gz OSLSOKHXSYVTPV-JTQLQIEISA-N 0 0 193.246 2.332 10 30 AEEERN CC[C@@H](CC#N)OC(=O)c1ccco1 787091699 582897968 /nfs/dbraw/zinc/89/79/68/582897968.db2.gz IKTUCXDVJBNYDL-QMMMGPOBSA-N 0 0 193.202 2.129 10 30 AEEERN CC[C@H](CC#N)OC(=O)[C@@H](C)C1CC1 787086180 582897993 /nfs/dbraw/zinc/89/79/93/582897993.db2.gz JTZSNJSSIUXGFH-WCBMZHEXSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](CC#N)OC(=O)c1ccoc1 787099814 582898002 /nfs/dbraw/zinc/89/80/02/582898002.db2.gz TYBVBDOZRVOBOQ-SECBINFHSA-N 0 0 193.202 2.129 10 30 AEEERN CC[C@H](CC#N)OC(=O)CC1CCC1 787089589 582898041 /nfs/dbraw/zinc/89/80/41/582898041.db2.gz UGFHMABKHQPQBU-SNVBAGLBSA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@H](CC#N)OC(=O)[C@@H]1CC1(C)C 787087385 582898107 /nfs/dbraw/zinc/89/81/07/582898107.db2.gz OVKIUOLORYJCPY-BDAKNGLRSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1CC=CC1 787084582 582898113 /nfs/dbraw/zinc/89/81/13/582898113.db2.gz PCUBTHMGDNBMLH-JTQLQIEISA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1=CCCC1 787079132 582898119 /nfs/dbraw/zinc/89/81/19/582898119.db2.gz OSLSOKHXSYVTPV-SNVBAGLBSA-N 0 0 193.246 2.332 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1(CC)CC1 787089639 582898126 /nfs/dbraw/zinc/89/81/26/582898126.db2.gz KJZZKRRALIYVHR-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@@H](CC#N)OC(=O)/C=C/C1CC1 787084126 582898130 /nfs/dbraw/zinc/89/81/30/582898130.db2.gz KRSWHBBUBBTSMK-PORFMDCZSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](CC#N)OC(=O)CCC1CC1 787088516 582898151 /nfs/dbraw/zinc/89/81/51/582898151.db2.gz OTYYECKHNDIEIJ-SNVBAGLBSA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@@H](CC#N)OC(=O)/C=C\C1CC1 787084124 582898155 /nfs/dbraw/zinc/89/81/55/582898155.db2.gz KRSWHBBUBBTSMK-OMMCCPJFSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1CC=CC1 787084583 582898255 /nfs/dbraw/zinc/89/82/55/582898255.db2.gz PCUBTHMGDNBMLH-SNVBAGLBSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](CC#N)OC(=O)C=C1CCC1 787086917 582898269 /nfs/dbraw/zinc/89/82/69/582898269.db2.gz UXOQJITUOOYMJY-SNVBAGLBSA-N 0 0 193.246 2.332 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1CCCC1 787086629 582898342 /nfs/dbraw/zinc/89/83/42/582898342.db2.gz CCRAQGQHGVGCQP-SNVBAGLBSA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@H](CC#N)OC(=O)/C=C/C1CC1 787084123 582898361 /nfs/dbraw/zinc/89/83/61/582898361.db2.gz KRSWHBBUBBTSMK-BRAIEQGRSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](CC#N)OC(=O)[C@H]1CC1(C)C 787087390 582898512 /nfs/dbraw/zinc/89/85/12/582898512.db2.gz OVKIUOLORYJCPY-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C=C1CCC1 787086916 582898531 /nfs/dbraw/zinc/89/85/31/582898531.db2.gz UXOQJITUOOYMJY-JTQLQIEISA-N 0 0 193.246 2.332 10 30 AEEERN CC[C@@H](CC#N)OC(=O)CCC1CC1 787088515 582898550 /nfs/dbraw/zinc/89/85/50/582898550.db2.gz OTYYECKHNDIEIJ-JTQLQIEISA-N 0 0 195.262 2.412 10 30 AEEERN C#C[C@@H](C)NC(=O)CC(C)(C)CCC 787533347 582900345 /nfs/dbraw/zinc/90/03/45/582900345.db2.gz LEYJKGOEGDSOGY-SNVBAGLBSA-N 0 0 195.306 2.341 10 30 AEEERN C#C[C@H](C)NC(=O)CC(C)(C)CCC 787533345 582900373 /nfs/dbraw/zinc/90/03/73/582900373.db2.gz LEYJKGOEGDSOGY-JTQLQIEISA-N 0 0 195.306 2.341 10 30 AEEERN C#CCN(C)C(=O)CC(C)(C)CCC 787572642 582900745 /nfs/dbraw/zinc/90/07/45/582900745.db2.gz QJPBHNISULUBGC-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C/C(=C\C(C)(C)C)C(=O)NCCC#N 787621548 582901092 /nfs/dbraw/zinc/90/10/92/582901092.db2.gz TUPRTDQHOGKFMR-CMDGGOBGSA-N 0 0 194.278 2.009 10 30 AEEERN CCCC(C)(C)CC(=O)NCCC#N 787620968 582901277 /nfs/dbraw/zinc/90/12/77/582901277.db2.gz KSFSWCXBUUIWCM-UHFFFAOYSA-N 0 0 196.294 2.233 10 30 AEEERN C/C(=C/C(C)(C)C)C(=O)NCCC#N 787621550 582901324 /nfs/dbraw/zinc/90/13/24/582901324.db2.gz TUPRTDQHOGKFMR-HJWRWDBZSA-N 0 0 194.278 2.009 10 30 AEEERN C#CC(C)(C)N(C)C(=O)OC(C)(C)C 787911085 582901836 /nfs/dbraw/zinc/90/18/36/582901836.db2.gz FUPHIUBXRPSQFJ-UHFFFAOYSA-N 0 0 197.278 2.265 10 30 AEEERN CC(C)(C#N)OC(=O)[C@@H]1CC=CCC1 805860567 582901872 /nfs/dbraw/zinc/90/18/72/582901872.db2.gz HXGAMIOMENKKHU-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)(C#N)OC(=O)[C@H]1CC=CCC1 805860568 582902059 /nfs/dbraw/zinc/90/20/59/582902059.db2.gz HXGAMIOMENKKHU-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN C=CCOC(=O)c1cc[nH]c1C1CC1 788178020 582902072 /nfs/dbraw/zinc/90/20/72/582902072.db2.gz BADFGVXHPIWLEK-UHFFFAOYSA-N 0 0 191.230 2.235 10 30 AEEERN C=CCCCC(=O)N1CCCCCO1 788488312 582903594 /nfs/dbraw/zinc/90/35/94/582903594.db2.gz JDOLGVICIAYPNF-UHFFFAOYSA-N 0 0 197.278 2.287 10 30 AEEERN C/C=C(\CC)C(=O)N(C)[C@H](C)CC#N 788862709 582904435 /nfs/dbraw/zinc/90/44/35/582904435.db2.gz CVVVEZIQXXCYDX-RAJVOEEQSA-N 0 0 194.278 2.103 10 30 AEEERN C/C=C(/CC)C(=O)N(C)[C@H](C)CC#N 788862707 582904481 /nfs/dbraw/zinc/90/44/81/582904481.db2.gz CVVVEZIQXXCYDX-JRZFIGEHSA-N 0 0 194.278 2.103 10 30 AEEERN C/C=C(\CC)C(=O)N(C)[C@@H](C)CC#N 788862710 582904612 /nfs/dbraw/zinc/90/46/12/582904612.db2.gz CVVVEZIQXXCYDX-UMYFRRCYSA-N 0 0 194.278 2.103 10 30 AEEERN C/C=C(/CC)C(=O)N(C)[C@@H](C)CC#N 788862708 582904692 /nfs/dbraw/zinc/90/46/92/582904692.db2.gz CVVVEZIQXXCYDX-QFQXNISHSA-N 0 0 194.278 2.103 10 30 AEEERN COCCON=C1CCC12CCCC2 788715863 582904927 /nfs/dbraw/zinc/90/49/27/582904927.db2.gz FHFGONFJSSKANI-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN C/C=C(/CC)C(=O)O[C@@H](C#N)C1CC1 789390593 582905046 /nfs/dbraw/zinc/90/50/46/582905046.db2.gz YUFIWJOIIKEEGK-GJQXAKHRSA-N 0 0 193.246 2.188 10 30 AEEERN C#C[C@@H](OC(=O)/C(=C/C)CC)C1CC1 789399746 582905116 /nfs/dbraw/zinc/90/51/16/582905116.db2.gz ZHNATPVKWJLUIH-VCFDLTMXSA-N 0 0 192.258 2.298 10 30 AEEERN C/C=C(\CC)C(=O)O[C@@H](C#N)C(C)C 789360711 582905149 /nfs/dbraw/zinc/90/51/49/582905149.db2.gz FTELFBZWXBBQLI-CYNRKNSPSA-N 0 0 195.262 2.434 10 30 AEEERN C#CCCCCC(=O)OCC1(F)CC1 789596313 582905168 /nfs/dbraw/zinc/90/51/68/582905168.db2.gz IVKPLRJQIOPJRP-UHFFFAOYSA-N 0 0 198.237 2.225 10 30 AEEERN C/C=C(\CC)C(=O)O[C@H](C#N)C(C)C 789360713 582905202 /nfs/dbraw/zinc/90/52/02/582905202.db2.gz FTELFBZWXBBQLI-NAZIUFLLSA-N 0 0 195.262 2.434 10 30 AEEERN C/C=C(/CC)C(=O)O[C@H](C#N)C1CC1 789390595 582905220 /nfs/dbraw/zinc/90/52/20/582905220.db2.gz YUFIWJOIIKEEGK-WPKZPIIRSA-N 0 0 193.246 2.188 10 30 AEEERN C/C=C(/CC)C(=O)OCC(C)(C)C#N 789415657 582905282 /nfs/dbraw/zinc/90/52/82/582905282.db2.gz IUXAWNKVMKIKDD-UITAMQMPSA-N 0 0 195.262 2.436 10 30 AEEERN C/C=C(\CC)C(=O)OC1(C#N)CCC1 789395979 582905329 /nfs/dbraw/zinc/90/53/29/582905329.db2.gz KPJWZBRJCOSKJP-YCRREMRBSA-N 0 0 193.246 2.332 10 30 AEEERN C#C[C@@H](C)OC(=O)CCCCCC#N 805887246 582905333 /nfs/dbraw/zinc/90/53/33/582905333.db2.gz VRTYZYMSBWCYIJ-SNVBAGLBSA-N 0 0 193.246 2.025 10 30 AEEERN C#C[C@H](OC(=O)/C(=C/C)CC)C1CC1 789399747 582905405 /nfs/dbraw/zinc/90/54/05/582905405.db2.gz ZHNATPVKWJLUIH-VKJYCEFSSA-N 0 0 192.258 2.298 10 30 AEEERN C#CCCCC(=O)OC[C@@H](C)C1CC1 789600568 582905422 /nfs/dbraw/zinc/90/54/22/582905422.db2.gz BHJPTCVXEFFWPA-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C/C=C(\CC)C(=O)OCC(C)(C)C#N 789415658 582905432 /nfs/dbraw/zinc/90/54/32/582905432.db2.gz IUXAWNKVMKIKDD-WEVVVXLNSA-N 0 0 195.262 2.436 10 30 AEEERN C/C=C(\CC)C(=O)O[C@@H](C#N)C1CC1 789390592 582905607 /nfs/dbraw/zinc/90/56/07/582905607.db2.gz YUFIWJOIIKEEGK-ANRVEHPFSA-N 0 0 193.246 2.188 10 30 AEEERN C#C[C@H](OC(=O)/C(=C\C)CC)C1CC1 789399744 582905611 /nfs/dbraw/zinc/90/56/11/582905611.db2.gz ZHNATPVKWJLUIH-NJHLSQGMSA-N 0 0 192.258 2.298 10 30 AEEERN C/C=C(/CC)C(=O)OC1(C#N)CCC1 789395977 582905640 /nfs/dbraw/zinc/90/56/40/582905640.db2.gz KPJWZBRJCOSKJP-OQFOIZHKSA-N 0 0 193.246 2.332 10 30 AEEERN CC#CCCCC(=O)OCC1(F)CC1 789588290 582905643 /nfs/dbraw/zinc/90/56/43/582905643.db2.gz ZLWXFMMEHHSZED-UHFFFAOYSA-N 0 0 198.237 2.225 10 30 AEEERN C#C[C@@H](OC(=O)/C(=C\C)CC)C1CC1 789399730 582905691 /nfs/dbraw/zinc/90/56/91/582905691.db2.gz ZHNATPVKWJLUIH-KSHIFHCESA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)CCCCCC#N 805887245 582905700 /nfs/dbraw/zinc/90/57/00/582905700.db2.gz VRTYZYMSBWCYIJ-JTQLQIEISA-N 0 0 193.246 2.025 10 30 AEEERN C/C=C(/CC)C(=O)O[C@H](C#N)C(C)C 789360712 582905773 /nfs/dbraw/zinc/90/57/73/582905773.db2.gz FTELFBZWXBBQLI-HYHWUIIZSA-N 0 0 195.262 2.434 10 30 AEEERN C/C=C(/CC)C(=O)O[C@@H](C#N)C(C)C 789360710 582905791 /nfs/dbraw/zinc/90/57/91/582905791.db2.gz FTELFBZWXBBQLI-BSKOKIOFSA-N 0 0 195.262 2.434 10 30 AEEERN C/C=C(\CC)C(=O)O[C@H](C#N)C1CC1 789390594 582905836 /nfs/dbraw/zinc/90/58/36/582905836.db2.gz YUFIWJOIIKEEGK-SIUBYYJGSA-N 0 0 193.246 2.188 10 30 AEEERN C#CCCCC(=O)OC[C@H](C)C1CC1 789600566 582905876 /nfs/dbraw/zinc/90/58/76/582905876.db2.gz BHJPTCVXEFFWPA-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C=CCOC(=O)C(C)(C)CCC(C)=O 789800422 582905950 /nfs/dbraw/zinc/90/59/50/582905950.db2.gz GPAMYNVXNLLZLL-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN CCON=C(COC)c1ccccc1 790155773 582908267 /nfs/dbraw/zinc/90/82/67/582908267.db2.gz RDQGIHLJWNSICT-UHFFFAOYSA-N 0 0 193.246 2.074 10 30 AEEERN Cc1cnc([C@@H](C)ON=CC2CC2)o1 853735214 583229644 /nfs/dbraw/zinc/22/96/44/583229644.db2.gz QJVZCZFYVJQNFY-MRVPVSSYSA-N 0 0 194.234 2.456 10 30 AEEERN C#C[C@@H](CC)OC(=O)C(C)(C)C1CC1 805918202 582909304 /nfs/dbraw/zinc/90/93/04/582909304.db2.gz LRDJDUFQQZVOGK-JTQLQIEISA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)C(C)(C)C1CC1 805918203 582909324 /nfs/dbraw/zinc/90/93/24/582909324.db2.gz LRDJDUFQQZVOGK-SNVBAGLBSA-N 0 0 194.274 2.378 10 30 AEEERN O=C(/C=C\c1cocn1)c1ccco1 790222737 582909347 /nfs/dbraw/zinc/90/93/47/582909347.db2.gz SKYOCZMSOOXIRM-ARJAWSKDSA-N 0 0 189.170 2.164 10 30 AEEERN O=C(/C=C/c1cocn1)c1ccco1 790222738 582909445 /nfs/dbraw/zinc/90/94/45/582909445.db2.gz SKYOCZMSOOXIRM-ONEGZZNKSA-N 0 0 189.170 2.164 10 30 AEEERN CC(C)(C#N)CC(=O)OCC1(C)CC1 790809987 582909640 /nfs/dbraw/zinc/90/96/40/582909640.db2.gz AVCNCBZMQHAFCT-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCCCNC(=O)C1(F)CCCC1 790578435 582910244 /nfs/dbraw/zinc/91/02/44/582910244.db2.gz ZTPZDJMHVRVEGJ-UHFFFAOYSA-N 0 0 199.269 2.351 10 30 AEEERN C#CCN(C)C(=O)C[C@H](CC)C(C)C 790962684 582910472 /nfs/dbraw/zinc/91/04/72/582910472.db2.gz FIRMNAVKKSKFJU-NSHDSACASA-N 0 0 195.306 2.150 10 30 AEEERN C#CCN(C)C(=O)/C(C)=C\C(C)(C)C 790964666 582910573 /nfs/dbraw/zinc/91/05/73/582910573.db2.gz DHQSXIZSPUMZJR-KTKRTIGZSA-N 0 0 193.290 2.070 10 30 AEEERN C#CCN(C)C(=O)C[C@@H](C)CC(C)C 790966282 582910615 /nfs/dbraw/zinc/91/06/15/582910615.db2.gz HTWZIFCXLPSLCS-NSHDSACASA-N 0 0 195.306 2.150 10 30 AEEERN C#CCN(C)C(=O)C[C@H](C)CC(C)C 790966281 582910721 /nfs/dbraw/zinc/91/07/21/582910721.db2.gz HTWZIFCXLPSLCS-LLVKDONJSA-N 0 0 195.306 2.150 10 30 AEEERN C#CCN(C)C(=O)C[C@@H](CC)C(C)C 790962683 582910902 /nfs/dbraw/zinc/91/09/02/582910902.db2.gz FIRMNAVKKSKFJU-LLVKDONJSA-N 0 0 195.306 2.150 10 30 AEEERN C#CCN(C)C(=O)/C(C)=C/C(C)(C)C 790964668 582910966 /nfs/dbraw/zinc/91/09/66/582910966.db2.gz DHQSXIZSPUMZJR-MDZDMXLPSA-N 0 0 193.290 2.070 10 30 AEEERN C#CCC(C)(C)C(=O)NCCCC=C 791056156 582911428 /nfs/dbraw/zinc/91/14/28/582911428.db2.gz FFVGDTIZPUDUPE-UHFFFAOYSA-N 0 0 193.290 2.118 10 30 AEEERN C=CCC1(C(=O)OCC#CC)CCC1 791557585 582913277 /nfs/dbraw/zinc/91/32/77/582913277.db2.gz GHCCQYZLYRBGPE-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN C#C[C@H](C)OC(=O)C1(CC=C)CCC1 791815992 582914316 /nfs/dbraw/zinc/91/43/16/582914316.db2.gz JYHHCCNYVDYJTF-JTQLQIEISA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](OC(=O)C[C@@H](C)CC)C1CC1 791848515 582914464 /nfs/dbraw/zinc/91/44/64/582914464.db2.gz AFSALAZMBLVUAH-ONGXEEELSA-N 0 0 194.274 2.378 10 30 AEEERN CC[C@@H](C)CC(=O)OC1(C#N)CCC1 791822490 582914502 /nfs/dbraw/zinc/91/45/02/582914502.db2.gz FLTLVOVZOMHPBS-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C#C[C@@H](OC(=O)C[C@H](C)CC)C1CC1 791848513 582914523 /nfs/dbraw/zinc/91/45/23/582914523.db2.gz AFSALAZMBLVUAH-MWLCHTKSSA-N 0 0 194.274 2.378 10 30 AEEERN C=C[C@@H](C)OC(=O)CC1(OC)CCC1 791885545 582914574 /nfs/dbraw/zinc/91/45/74/582914574.db2.gz ASDFACGPQIRPEP-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN CC[C@H](C)CC(=O)O[C@@H](C#N)C1CC1 791819533 582914790 /nfs/dbraw/zinc/91/47/90/582914790.db2.gz KNDHHWWEHPSRHX-WPRPVWTQSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@@H](C)OC(=O)C1(CC=C)CCC1 791815996 582914658 /nfs/dbraw/zinc/91/46/58/582914658.db2.gz JYHHCCNYVDYJTF-SNVBAGLBSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](OC(=O)C[C@H](C)CC)C1CC1 791848511 582914688 /nfs/dbraw/zinc/91/46/88/582914688.db2.gz AFSALAZMBLVUAH-KOLCDFICSA-N 0 0 194.274 2.378 10 30 AEEERN CC[C@H](C)CC(=O)O[C@H](C#N)C1CC1 791819531 582914712 /nfs/dbraw/zinc/91/47/12/582914712.db2.gz KNDHHWWEHPSRHX-WCBMZHEXSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](C)CC(=O)OC1(C#N)CCC1 791822491 582914730 /nfs/dbraw/zinc/91/47/30/582914730.db2.gz FLTLVOVZOMHPBS-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@@H](C)CC(=O)O[C@@H](C#N)C1CC1 791819494 582914814 /nfs/dbraw/zinc/91/48/14/582914814.db2.gz KNDHHWWEHPSRHX-SCZZXKLOSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](C)CC(=O)O[C@H](C#N)C1CC1 791819492 582914857 /nfs/dbraw/zinc/91/48/57/582914857.db2.gz KNDHHWWEHPSRHX-PSASIEDQSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@@H](OC(=O)C[C@@H](C)CC)C1CC1 791848509 582914920 /nfs/dbraw/zinc/91/49/20/582914920.db2.gz AFSALAZMBLVUAH-GXSJLCMTSA-N 0 0 194.274 2.378 10 30 AEEERN C=C[C@H](C)OC(=O)CC1(OC)CCC1 791885546 582914987 /nfs/dbraw/zinc/91/49/87/582914987.db2.gz ASDFACGPQIRPEP-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C#CCN(C)Cc1cc(F)ccc1F 792298074 582916943 /nfs/dbraw/zinc/91/69/43/582916943.db2.gz FSMZTSDIMNKTRN-UHFFFAOYSA-N 0 0 195.212 2.030 10 30 AEEERN CC[C@@H](C)NN=Cc1oc(C)nc1C 793051130 582918110 /nfs/dbraw/zinc/91/81/10/582918110.db2.gz HETBEYREXIOUNS-SSDOTTSWSA-N 0 0 195.266 2.013 10 30 AEEERN CC[C@@H](C)CON=Cc1ccccn1 793163144 582918304 /nfs/dbraw/zinc/91/83/04/582918304.db2.gz GKRCIZBRLYEGMR-SNVBAGLBSA-N 0 0 192.262 2.478 10 30 AEEERN CC[C@H](C)CON=Cc1ccccn1 793163143 582918338 /nfs/dbraw/zinc/91/83/38/582918338.db2.gz GKRCIZBRLYEGMR-JTQLQIEISA-N 0 0 192.262 2.478 10 30 AEEERN C[C@H](NN=C1CCCOC1)C(C)(C)C 793110715 582918474 /nfs/dbraw/zinc/91/84/74/582918474.db2.gz AOKPHAMHKZZTCV-VIFPVBQESA-N 0 0 198.310 2.177 10 30 AEEERN CC[C@H](C)NN=Cc1oc(C)nc1C 793051131 582918563 /nfs/dbraw/zinc/91/85/63/582918563.db2.gz HETBEYREXIOUNS-ZETCQYMHSA-N 0 0 195.266 2.013 10 30 AEEERN C[C@@H](NN=C1CCCOC1)C(C)(C)C 793110714 582918567 /nfs/dbraw/zinc/91/85/67/582918567.db2.gz AOKPHAMHKZZTCV-SECBINFHSA-N 0 0 198.310 2.177 10 30 AEEERN Cc1nc(C)c(C=NOC2CCC2)o1 793054942 582918574 /nfs/dbraw/zinc/91/85/74/582918574.db2.gz IKRGKUUCULBTNL-UHFFFAOYSA-N 0 0 194.234 2.194 10 30 AEEERN COCCCNN=C(C)C1CCCC1 794539850 582920141 /nfs/dbraw/zinc/92/01/41/582920141.db2.gz OVVSWPMJLMARDV-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN COCCCNN=C1CCC(C)CC1 794545778 582920160 /nfs/dbraw/zinc/92/01/60/582920160.db2.gz OZBXIYZEOYFXDG-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN COCCCNN=C(C)CC1CCC1 794541109 582920338 /nfs/dbraw/zinc/92/03/38/582920338.db2.gz IHWSUJQUBKRPFK-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN COCCCNN=C1CCC(C)(C)C1 794542694 582920565 /nfs/dbraw/zinc/92/05/65/582920565.db2.gz VCOHIXBMHVGCTR-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN COCCCNN=CC1CCCCC1 794542680 582920635 /nfs/dbraw/zinc/92/06/35/582920635.db2.gz URIOPAOCLUHIFG-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN COCCCNN=C1CCCC[C@H]1C 794543924 582920814 /nfs/dbraw/zinc/92/08/14/582920814.db2.gz NLRMHAQDGNQXQM-SNVBAGLBSA-N 0 0 198.310 2.179 10 30 AEEERN CC(C)(C#N)OC(=O)C1CCCCC1 794560624 582920818 /nfs/dbraw/zinc/92/08/18/582920818.db2.gz CMVTXQAWGJERKH-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN COCCCNN=C1CCCC[C@@H]1C 794543923 582921013 /nfs/dbraw/zinc/92/10/13/582921013.db2.gz NLRMHAQDGNQXQM-JTQLQIEISA-N 0 0 198.310 2.179 10 30 AEEERN COCCCNN=C(C(C)C)C1CC1 794541833 582921109 /nfs/dbraw/zinc/92/11/09/582921109.db2.gz UMELXQVLPXULAC-UHFFFAOYSA-N 0 0 198.310 2.035 10 30 AEEERN COCCCNN=C1CCCC1(C)C 794543504 582921131 /nfs/dbraw/zinc/92/11/31/582921131.db2.gz GFYDLXWPMBVALB-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN CC(C)(C#N)OC(=O)CC1CCCC1 794594958 582921273 /nfs/dbraw/zinc/92/12/73/582921273.db2.gz TUFPUTVEENVLBT-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN CC(=NOC1CCCC1)c1cn[nH]c1 794857699 582921498 /nfs/dbraw/zinc/92/14/98/582921498.db2.gz LXJKVGFADWHVEQ-UHFFFAOYSA-N 0 0 193.250 2.093 10 30 AEEERN CCOC1CC(C=NOCC(C)C)C1 794923717 582921656 /nfs/dbraw/zinc/92/16/56/582921656.db2.gz SELPMJXHYDUABC-UHFFFAOYSA-N 0 0 199.294 2.460 10 30 AEEERN COCCN(C)N=C1CCCC1(C)C 794970528 582922157 /nfs/dbraw/zinc/92/21/57/582922157.db2.gz CCWFMKNBPZHQOS-UHFFFAOYSA-N 0 0 198.310 2.131 10 30 AEEERN COCCN(C)N=C1CCC(C)CC1 794973656 582922529 /nfs/dbraw/zinc/92/25/29/582922529.db2.gz GVXHBFGYDUMFNN-UHFFFAOYSA-N 0 0 198.310 2.131 10 30 AEEERN Fc1cccnc1N=NCC1(F)CC1 794984255 582923152 /nfs/dbraw/zinc/92/31/52/582923152.db2.gz MNTQDQWSBXDWEC-UHFFFAOYSA-N 0 0 197.188 2.121 10 30 AEEERN C#CCN(CC)C(=O)CC[C@@H](C)CC 795522609 582923566 /nfs/dbraw/zinc/92/35/66/582923566.db2.gz CQKCLEDZUDPXHR-NSHDSACASA-N 0 0 195.306 2.294 10 30 AEEERN C#CCN(CC)C(=O)CC[C@H](C)CC 795522607 582923792 /nfs/dbraw/zinc/92/37/92/582923792.db2.gz CQKCLEDZUDPXHR-LLVKDONJSA-N 0 0 195.306 2.294 10 30 AEEERN C=CCOCCCOC(=O)/C(C)=C\C 795538024 582923840 /nfs/dbraw/zinc/92/38/40/582923840.db2.gz PKZYVFWUNCAKBS-YHYXMXQVSA-N 0 0 198.262 2.089 10 30 AEEERN C=CCOCCCOC(=O)/C(C)=C/C 795538023 582924131 /nfs/dbraw/zinc/92/41/31/582924131.db2.gz PKZYVFWUNCAKBS-BJMVGYQFSA-N 0 0 198.262 2.089 10 30 AEEERN C=CCCC(=O)OCCCOCC=C 795480619 582924146 /nfs/dbraw/zinc/92/41/46/582924146.db2.gz HIPHTQNLTSSMTA-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN CCC(=O)OCC1(C#N)CCCCC1 796823750 582926311 /nfs/dbraw/zinc/92/63/11/582926311.db2.gz MPLZRAUREQAWSI-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C#CCCCOC(=O)C1CC(C)(C)C1 796851986 582926548 /nfs/dbraw/zinc/92/65/48/582926548.db2.gz DZKCHZABFDDJFR-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CC[C@](C)(C#N)C(=O)OCC=C(C)C 797220623 582926882 /nfs/dbraw/zinc/92/68/82/582926882.db2.gz CGJGFFYJQYVCTH-LLVKDONJSA-N 0 0 195.262 2.436 10 30 AEEERN C=CCC(C)(C)C(=O)OCCOC=C 797016791 582926902 /nfs/dbraw/zinc/92/69/02/582926902.db2.gz WMAQTNGQSLSWBG-UHFFFAOYSA-N 0 0 198.262 2.292 10 30 AEEERN CC1(C)CC(C(=O)OCCCC#N)C1 797206493 582926937 /nfs/dbraw/zinc/92/69/37/582926937.db2.gz FHKUAKFDIJIPGM-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC[C@](C)(C#N)C(=O)OC[C@@H]1C[C@H]1C 796901798 582927016 /nfs/dbraw/zinc/92/70/16/582927016.db2.gz ZGDLBHNPWWRROQ-WCABBAIRSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@@H](C#N)COC(=O)C1CC(C)(C)C1 797160910 582927048 /nfs/dbraw/zinc/92/70/48/582927048.db2.gz KLVHMQPWQVWZCJ-QMMMGPOBSA-N 0 0 195.262 2.125 10 30 AEEERN C=CCCCOC(=O)[C@@](C)(C#N)CC 797085902 582927051 /nfs/dbraw/zinc/92/70/51/582927051.db2.gz BETVWTWDJLAGNV-LLVKDONJSA-N 0 0 195.262 2.436 10 30 AEEERN C#C[C@H](C)OC(=O)CC1CC(C)(C)C1 796910283 582927064 /nfs/dbraw/zinc/92/70/64/582927064.db2.gz ALTCGZAXOLMENQ-VIFPVBQESA-N 0 0 194.274 2.378 10 30 AEEERN C=C(C)CCOC(=O)[C@](C)(C#N)CC 797077002 582927084 /nfs/dbraw/zinc/92/70/84/582927084.db2.gz AYTDCZFOEUELPA-NSHDSACASA-N 0 0 195.262 2.436 10 30 AEEERN C=CCCCOC(=O)[C@](C)(C#N)CC 797085904 582927111 /nfs/dbraw/zinc/92/71/11/582927111.db2.gz BETVWTWDJLAGNV-NSHDSACASA-N 0 0 195.262 2.436 10 30 AEEERN CC[C@](C)(C#N)C(=O)OC[C@@H]1C[C@@H]1C 796901788 582927165 /nfs/dbraw/zinc/92/71/65/582927165.db2.gz ZGDLBHNPWWRROQ-ATZCPNFKSA-N 0 0 195.262 2.125 10 30 AEEERN C=C(C)CCOC(=O)[C@@](C)(C#N)CC 797077001 582927189 /nfs/dbraw/zinc/92/71/89/582927189.db2.gz AYTDCZFOEUELPA-LLVKDONJSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@H](C#N)COC(=O)C1CC(C)(C)C1 797160908 582927223 /nfs/dbraw/zinc/92/72/23/582927223.db2.gz KLVHMQPWQVWZCJ-MRVPVSSYSA-N 0 0 195.262 2.125 10 30 AEEERN CC[C@](C)(C#N)C(=O)OC[C@H]1C[C@@H]1C 796901796 582927325 /nfs/dbraw/zinc/92/73/25/582927325.db2.gz ZGDLBHNPWWRROQ-IQJOONFLSA-N 0 0 195.262 2.125 10 30 AEEERN C=CCC(C)(C)C(=O)OC[C@@H](C)C#N 796978122 582927330 /nfs/dbraw/zinc/92/73/30/582927330.db2.gz XROQYCUIPDCVCK-VIFPVBQESA-N 0 0 195.262 2.292 10 30 AEEERN C=CCC(C)(C)C(=O)O[C@H](C)CC#N 796884758 582927356 /nfs/dbraw/zinc/92/73/56/582927356.db2.gz ZVIMQZVWXDVRJW-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C#C[C@@H](C)OC(=O)CC1CC(C)(C)C1 796910281 582927398 /nfs/dbraw/zinc/92/73/98/582927398.db2.gz ALTCGZAXOLMENQ-SECBINFHSA-N 0 0 194.274 2.378 10 30 AEEERN C=CCC(C)(C)C(=O)O[C@@H](C)CC#N 796884761 582927417 /nfs/dbraw/zinc/92/74/17/582927417.db2.gz ZVIMQZVWXDVRJW-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN CC[C@](C)(C#N)C(=O)OC[C@H]1C[C@H]1C 796901794 582927463 /nfs/dbraw/zinc/92/74/63/582927463.db2.gz ZGDLBHNPWWRROQ-FXPVBKGRSA-N 0 0 195.262 2.125 10 30 AEEERN CC[C@@](C)(C#N)C(=O)OCC=C(C)C 797220624 582927493 /nfs/dbraw/zinc/92/74/93/582927493.db2.gz CGJGFFYJQYVCTH-NSHDSACASA-N 0 0 195.262 2.436 10 30 AEEERN CCC(=O)OCC1CCC(C#N)CC1 796907451 582927497 /nfs/dbraw/zinc/92/74/97/582927497.db2.gz ZFMWWIMTVFNNQW-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC1(C)CC(C(=O)OC(C)(C)C#N)C1 797141125 582927589 /nfs/dbraw/zinc/92/75/89/582927589.db2.gz QKLRRNHEWYBXQQ-UHFFFAOYSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCC(C)(C)C(=O)OC[C@H](C)C#N 796978121 582927591 /nfs/dbraw/zinc/92/75/91/582927591.db2.gz XROQYCUIPDCVCK-SECBINFHSA-N 0 0 195.262 2.292 10 30 AEEERN C#CCCOC(=O)c1ccoc1CC 797488127 582928015 /nfs/dbraw/zinc/92/80/15/582928015.db2.gz CTIQBYMCCTVAFX-UHFFFAOYSA-N 0 0 192.214 2.022 10 30 AEEERN C#C[C@@H](C)OC(=O)c1ccoc1CC 797554223 582928186 /nfs/dbraw/zinc/92/81/86/582928186.db2.gz GUODHKKVLGVCRI-MRVPVSSYSA-N 0 0 192.214 2.021 10 30 AEEERN C=CCCCC(=O)N[C@@H]1C[C@H]1C1CC1 797577212 582928205 /nfs/dbraw/zinc/92/82/05/582928205.db2.gz ADOOWZRFCLUMHB-WDEREUQCSA-N 0 0 193.290 2.257 10 30 AEEERN C#C[C@H](C)OC(=O)c1ccoc1CC 797554224 582928328 /nfs/dbraw/zinc/92/83/28/582928328.db2.gz GUODHKKVLGVCRI-QMMMGPOBSA-N 0 0 192.214 2.021 10 30 AEEERN C=CCCN(C)C(=O)N(C)CC(C)C 797454923 582928404 /nfs/dbraw/zinc/92/84/04/582928404.db2.gz BNFKEQDCZPOPQG-UHFFFAOYSA-N 0 0 198.310 2.202 10 30 AEEERN C=CCCCNC(=O)c1[nH]ccc1C 798005793 582928854 /nfs/dbraw/zinc/92/88/54/582928854.db2.gz UYQLTWJMTMSGAU-UHFFFAOYSA-N 0 0 192.262 2.019 10 30 AEEERN COCCON=C1CCC[C@@H]2C[C@]12C 799881155 582933836 /nfs/dbraw/zinc/93/38/36/582933836.db2.gz INCUSUJYOUWPDN-KOLCDFICSA-N 0 0 197.278 2.216 10 30 AEEERN CC#CC(=O)N1CCCC[C@@H]1CCC 801190719 582935904 /nfs/dbraw/zinc/93/59/04/582935904.db2.gz CZFDUSMOVWHUJT-NSHDSACASA-N 0 0 193.290 2.191 10 30 AEEERN C=CC[C@H](CC)NC(=O)/C=C\C1CC1 798554527 582931423 /nfs/dbraw/zinc/93/14/23/582931423.db2.gz QHTUMIYNOBNWIR-IQQGHNRFSA-N 0 0 193.290 2.424 10 30 AEEERN C=CCOC(=O)c1ccoc1C1CC1 798703787 582931440 /nfs/dbraw/zinc/93/14/40/582931440.db2.gz AOFSUHYDXVKJQE-UHFFFAOYSA-N 0 0 192.214 2.500 10 30 AEEERN C=CC[C@@H](CC)NC(=O)/C=C/C1CC1 798554525 582931476 /nfs/dbraw/zinc/93/14/76/582931476.db2.gz QHTUMIYNOBNWIR-ANYFNZRUSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC[C@H](CC)NC(=O)/C=C/C1CC1 798554526 582931744 /nfs/dbraw/zinc/93/17/44/582931744.db2.gz QHTUMIYNOBNWIR-FBOQAHMBSA-N 0 0 193.290 2.424 10 30 AEEERN C=C(C)COC(=O)c1ccn(C)c1C 798725632 582931792 /nfs/dbraw/zinc/93/17/92/582931792.db2.gz YUGUUACXTMIITC-UHFFFAOYSA-N 0 0 193.246 2.066 10 30 AEEERN C#CCOC(=O)c1ccoc1CCC 798710936 582931897 /nfs/dbraw/zinc/93/18/97/582931897.db2.gz LTWQWGVRDBPMCM-UHFFFAOYSA-N 0 0 192.214 2.022 10 30 AEEERN C#CCCN(C#N)c1ccc(F)cc1 799310367 582932787 /nfs/dbraw/zinc/93/27/87/582932787.db2.gz GYAHJRQAVMNLKK-UHFFFAOYSA-N 0 0 188.205 2.136 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC12CCC2 799883280 582933779 /nfs/dbraw/zinc/93/37/79/582933779.db2.gz WNWHVJLFHLJYFM-VIFPVBQESA-N 0 0 191.278 2.198 10 30 AEEERN CCOCCON=C1CCC12CCC2 799885380 582933780 /nfs/dbraw/zinc/93/37/80/582933780.db2.gz GKUGIPILPPUMNW-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN C[C@H](CC#N)NN=C1CCC12CCC2 799883279 582933799 /nfs/dbraw/zinc/93/37/99/582933799.db2.gz WNWHVJLFHLJYFM-SECBINFHSA-N 0 0 191.278 2.198 10 30 AEEERN COCCON=C1CCC[C@H]2C[C@@]12C 799881154 582933988 /nfs/dbraw/zinc/93/39/88/582933988.db2.gz INCUSUJYOUWPDN-GXSJLCMTSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@@H]1CC[C@@H](C=NN2CCCC2=O)C1 800814973 582934222 /nfs/dbraw/zinc/93/42/22/582934222.db2.gz GXXJSRIMOIRXDA-NXEZZACHSA-N 0 0 194.278 2.031 10 30 AEEERN C[C@H](CC#N)NN=C1CCC[C@H]2C[C@@H]12 800814720 582934225 /nfs/dbraw/zinc/93/42/25/582934225.db2.gz WBMHUNPTMVMMHS-KXUCPTDWSA-N 0 0 191.278 2.054 10 30 AEEERN C[C@H]1CC[C@H](C=NN2CCCC2=O)C1 800814974 582934316 /nfs/dbraw/zinc/93/43/16/582934316.db2.gz GXXJSRIMOIRXDA-UWVGGRQHSA-N 0 0 194.278 2.031 10 30 AEEERN C#CC(=O)Nc1ccccc1CCC=C 800592672 582934518 /nfs/dbraw/zinc/93/45/18/582934518.db2.gz XGSRZSZNJQUXIQ-UHFFFAOYSA-N 0 0 199.253 2.377 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC[C@H]2C[C@@H]12 800814721 582934699 /nfs/dbraw/zinc/93/46/99/582934699.db2.gz WBMHUNPTMVMMHS-LPEHRKFASA-N 0 0 191.278 2.054 10 30 AEEERN C[C@H]1CC[C@@H](C=NN2CCCC2=O)C1 800814975 582934702 /nfs/dbraw/zinc/93/47/02/582934702.db2.gz GXXJSRIMOIRXDA-VHSXEESVSA-N 0 0 194.278 2.031 10 30 AEEERN C[C@@H]1CC[C@H](C=NN2CCCC2=O)C1 800814976 582934933 /nfs/dbraw/zinc/93/49/33/582934933.db2.gz GXXJSRIMOIRXDA-ZJUUUORDSA-N 0 0 194.278 2.031 10 30 AEEERN CC#CC(=O)N(C)[C@H]1CCC[C@H](C)C1 801129664 582935266 /nfs/dbraw/zinc/93/52/66/582935266.db2.gz FUEJRLYMMJPESU-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN CC#CC(=O)N(C)[C@H]1CCC[C@@H](C)C1 801129663 582935290 /nfs/dbraw/zinc/93/52/90/582935290.db2.gz FUEJRLYMMJPESU-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN CC#CC(=O)N(C)[C@@H]1CCC[C@H](C)C1 801129666 582935326 /nfs/dbraw/zinc/93/53/26/582935326.db2.gz FUEJRLYMMJPESU-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN CC#CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 801129661 582935429 /nfs/dbraw/zinc/93/54/29/582935429.db2.gz FUEJRLYMMJPESU-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN CC#CC(=O)N1CCCC[C@H]1CCC 801190718 582936136 /nfs/dbraw/zinc/93/61/36/582936136.db2.gz CZFDUSMOVWHUJT-LLVKDONJSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCCCCCC(=O)N1CC(C)C1 801254513 582936169 /nfs/dbraw/zinc/93/61/69/582936169.db2.gz ZNTWUXKOCQFPOQ-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C=CCOC(=O)c1cc(C)cc(C)n1 801444316 582936683 /nfs/dbraw/zinc/93/66/83/582936683.db2.gz BLFYXWRASVPBNI-UHFFFAOYSA-N 0 0 191.230 2.041 10 30 AEEERN C#CCCN1CCc2cc(F)ccc21 801593387 582937218 /nfs/dbraw/zinc/93/72/18/582937218.db2.gz AQBGEIMGIFINLL-UHFFFAOYSA-N 0 0 189.233 2.212 10 30 AEEERN CC[C@](C)(C#N)C(=O)O[C@@H](C)C1CC1 802798696 582938449 /nfs/dbraw/zinc/93/84/49/582938449.db2.gz QYKYNIUNGVOLNK-GZMMTYOYSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCCC(=O)O[C@@]1(C)CCOC1 802902023 582938528 /nfs/dbraw/zinc/93/85/28/582938528.db2.gz DMMMVVYETUVECW-NSHDSACASA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCCC(=O)O[C@]1(C)CCOC1 802902020 582938573 /nfs/dbraw/zinc/93/85/73/582938573.db2.gz DMMMVVYETUVECW-LLVKDONJSA-N 0 0 198.262 2.065 10 30 AEEERN CC[C@@](C)(C#N)C(=O)O[C@@H](C)C1CC1 802798697 582938581 /nfs/dbraw/zinc/93/85/81/582938581.db2.gz QYKYNIUNGVOLNK-KWQFWETISA-N 0 0 195.262 2.268 10 30 AEEERN C=C(C)CCOC(=O)c1[nH]ccc1C 803515498 582938821 /nfs/dbraw/zinc/93/88/21/582938821.db2.gz QFAHKFGGCBAPSL-UHFFFAOYSA-N 0 0 193.246 2.446 10 30 AEEERN CC(=O)OCCC1(C#N)CCCCC1 840001729 582939064 /nfs/dbraw/zinc/93/90/64/582939064.db2.gz AHVXMGULKJKOAM-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C=CCCC(=O)OCc1ccncc1 803331792 582939101 /nfs/dbraw/zinc/93/91/01/582939101.db2.gz GFKXVFVRCHLWDY-UHFFFAOYSA-N 0 0 191.230 2.091 10 30 AEEERN C=C(C)CCOC(=O)[C@H]1CCC=CO1 803504802 582939177 /nfs/dbraw/zinc/93/91/77/582939177.db2.gz ARTFNWUBYAEREA-SNVBAGLBSA-N 0 0 196.246 2.189 10 30 AEEERN C=C(C)CCOC(=O)[C@@H]1CCC=CO1 803504801 582939187 /nfs/dbraw/zinc/93/91/87/582939187.db2.gz ARTFNWUBYAEREA-JTQLQIEISA-N 0 0 196.246 2.189 10 30 AEEERN C=C(C)CCOC(=O)c1oncc1C 803390752 582939347 /nfs/dbraw/zinc/93/93/47/582939347.db2.gz JKBDRNCPOWROPT-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN C=C(C)CCOC(=O)c1coc(C)n1 803524795 582939528 /nfs/dbraw/zinc/93/95/28/582939528.db2.gz BPADJYSIXNCRSR-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN CC(C)(C#N)OC(=O)C[C@H]1C=CCC1 804535789 582940832 /nfs/dbraw/zinc/94/08/32/582940832.db2.gz WVVMXKXNRLIKNS-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)(C#N)OC(=O)C[C@@H]1C=CCC1 804535787 582940919 /nfs/dbraw/zinc/94/09/19/582940919.db2.gz WVVMXKXNRLIKNS-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN Cc1occc1C(=O)OCCCC#N 804578147 582940930 /nfs/dbraw/zinc/94/09/30/582940930.db2.gz DVYLMHMGAUTRIK-UHFFFAOYSA-N 0 0 193.202 2.049 10 30 AEEERN C=CCCCC(=O)N1CCC[C@H]2C[C@H]21 804302749 582940945 /nfs/dbraw/zinc/94/09/45/582940945.db2.gz HVQCCHJYPDQZTC-WDEREUQCSA-N 0 0 193.290 2.354 10 30 AEEERN N#CCCCOC(=O)C[C@@H]1C=CCC1 804533715 582940962 /nfs/dbraw/zinc/94/09/62/582940962.db2.gz GTFKKFLCQDFWIM-SNVBAGLBSA-N 0 0 193.246 2.190 10 30 AEEERN N#CCCCOC(=O)C[C@H]1C=CCC1 804533714 582941029 /nfs/dbraw/zinc/94/10/29/582941029.db2.gz GTFKKFLCQDFWIM-JTQLQIEISA-N 0 0 193.246 2.190 10 30 AEEERN Cc1occc1C(=O)OC(C)(C)C#N 804579027 582941034 /nfs/dbraw/zinc/94/10/34/582941034.db2.gz QNPQZQLWGOOYIG-UHFFFAOYSA-N 0 0 193.202 2.047 10 30 AEEERN CC(C)C#CC(=O)N[C@H](C)C(C)(C)C 855031551 583245111 /nfs/dbraw/zinc/24/51/11/583245111.db2.gz LMCPTCVASUGMSV-SNVBAGLBSA-N 0 0 195.306 2.197 10 30 AEEERN C=CCCCC(=O)N1CCC[C@@H]2C[C@@H]21 804302747 582941261 /nfs/dbraw/zinc/94/12/61/582941261.db2.gz HVQCCHJYPDQZTC-MNOVXSKESA-N 0 0 193.290 2.354 10 30 AEEERN S[C@@H]1CCC[C@H]2CSC[C@H]12 757159809 582942665 /nfs/dbraw/zinc/94/26/65/582942665.db2.gz YXUILOVNPJYZMW-BIIVOSGPSA-N 0 0 174.334 2.448 10 30 AEEERN COC(OC)[C@@H]1CCCC[C@@H]1S 757160974 582947517 /nfs/dbraw/zinc/94/75/17/582947517.db2.gz UBZCMWBRQJRFKQ-SFYZADRCSA-N 0 0 190.308 2.094 10 30 AEEERN C#CCN(C)c1cc2ccccc2[nH]1 757136769 582943988 /nfs/dbraw/zinc/94/39/88/582943988.db2.gz RFBMXDGMLNCWSG-UHFFFAOYSA-N 0 0 184.242 2.237 10 30 AEEERN O=C1Nc2cc(Cl)ccc2[C@H]1S 757159177 582945737 /nfs/dbraw/zinc/94/57/37/582945737.db2.gz BCRXUDHDQMTBRW-SSDOTTSWSA-N 0 0 199.662 2.263 10 30 AEEERN O=C1Nc2cc(Cl)ccc2[C@@H]1S 757159195 582945766 /nfs/dbraw/zinc/94/57/66/582945766.db2.gz BCRXUDHDQMTBRW-ZETCQYMHSA-N 0 0 199.662 2.263 10 30 AEEERN COc1ccc([C@@H](C)S)c(O)c1 757159018 582945932 /nfs/dbraw/zinc/94/59/32/582945932.db2.gz DTOSUQKNUAHNJF-ZCFIWIBFSA-N 0 0 184.260 2.392 10 30 AEEERN SC1CC(C2CCC2)C1 757159242 582945938 /nfs/dbraw/zinc/94/59/38/582945938.db2.gz IBPVAUGXQUCFSC-UHFFFAOYSA-N 0 0 142.267 2.495 10 30 AEEERN COc1ccc([C@H](C)S)c(O)c1 757158973 582946109 /nfs/dbraw/zinc/94/61/09/582946109.db2.gz DTOSUQKNUAHNJF-LURJTMIESA-N 0 0 184.260 2.392 10 30 AEEERN C[C@H](S)[C@H]1CCSC1 757161097 582946397 /nfs/dbraw/zinc/94/63/97/582946397.db2.gz WXADFOKQNRUCTD-WDSKDSINSA-N 0 0 148.296 2.058 10 30 AEEERN C[C@@H](S)C1CCSCC1 757162017 582946448 /nfs/dbraw/zinc/94/64/48/582946448.db2.gz ARXPMSNUWHAZKJ-ZCFIWIBFSA-N 0 0 162.323 2.448 10 30 AEEERN Cc1ccc2c(c1C)NC(=O)[C@H]2S 757162039 582946456 /nfs/dbraw/zinc/94/64/56/582946456.db2.gz AXEPVCAXYSYZAF-VIFPVBQESA-N 0 0 193.271 2.226 10 30 AEEERN Oc1ccc2c(c1)[C@H](S)CC2 757162210 582946604 /nfs/dbraw/zinc/94/66/04/582946604.db2.gz CLYCVQPBIJKFTM-SECBINFHSA-N 0 0 166.245 2.309 10 30 AEEERN O=[N+]([O-])c1cc(CS)cs1 757159779 582946631 /nfs/dbraw/zinc/94/66/31/582946631.db2.gz VZOSFHXDUJIZAD-UHFFFAOYSA-N 0 0 175.234 2.086 10 30 AEEERN C[C@@H](S)[C@H]1CCSC1 757161096 582946675 /nfs/dbraw/zinc/94/66/75/582946675.db2.gz WXADFOKQNRUCTD-RITPCOANSA-N 0 0 148.296 2.058 10 30 AEEERN C[C@H](S)C1CCSCC1 757162016 582946718 /nfs/dbraw/zinc/94/67/18/582946718.db2.gz ARXPMSNUWHAZKJ-LURJTMIESA-N 0 0 162.323 2.448 10 30 AEEERN C[C@H](S)C1CC(F)(F)C1 757162219 582946776 /nfs/dbraw/zinc/94/67/76/582946776.db2.gz COFRQEQDUSYZSF-BYPYZUCNSA-N 0 0 152.209 2.350 10 30 AEEERN C=CCN(C(=O)N[C@@H]1C[C@H]1C)C(C)C 807259285 582946787 /nfs/dbraw/zinc/94/67/87/582946787.db2.gz SBZPSIINWSVZMN-NXEZZACHSA-N 0 0 196.294 2.001 10 30 AEEERN C[C@@H](S)C1CC(F)(F)C1 757162225 582946875 /nfs/dbraw/zinc/94/68/75/582946875.db2.gz COFRQEQDUSYZSF-SCSAIBSYSA-N 0 0 152.209 2.350 10 30 AEEERN S[C@H]1CCCc2ncccc21 757162050 582946884 /nfs/dbraw/zinc/94/68/84/582946884.db2.gz BILLNLFGPFWNPW-VIFPVBQESA-N 0 0 165.261 2.389 10 30 AEEERN C[C@@H](S)[C@@H]1CCSC1 757161095 582946907 /nfs/dbraw/zinc/94/69/07/582946907.db2.gz WXADFOKQNRUCTD-PHDIDXHHSA-N 0 0 148.296 2.058 10 30 AEEERN Cc1ccc2c(c1C)NC(=O)[C@@H]2S 757162034 582946988 /nfs/dbraw/zinc/94/69/88/582946988.db2.gz AXEPVCAXYSYZAF-SECBINFHSA-N 0 0 193.271 2.226 10 30 AEEERN O=CCSCc1ccc(Cl)o1 757162255 582946996 /nfs/dbraw/zinc/94/69/96/582946996.db2.gz CQSKYUOBFJYYNO-UHFFFAOYSA-N 0 0 190.651 2.365 10 30 AEEERN CCCn1ccc(CS)c1 757162216 582946999 /nfs/dbraw/zinc/94/69/99/582946999.db2.gz CNAGODDGIKXIMF-UHFFFAOYSA-N 0 0 155.266 2.328 10 30 AEEERN C[C@H](S)[C@@H]1CCSC1 757161090 582947041 /nfs/dbraw/zinc/94/70/41/582947041.db2.gz WXADFOKQNRUCTD-NTSWFWBYSA-N 0 0 148.296 2.058 10 30 AEEERN S[C@@H]1CCCc2ncccc21 757162045 582947063 /nfs/dbraw/zinc/94/70/63/582947063.db2.gz BILLNLFGPFWNPW-SECBINFHSA-N 0 0 165.261 2.389 10 30 AEEERN N#CCOc1ccccc1CS 757162053 582947066 /nfs/dbraw/zinc/94/70/66/582947066.db2.gz BOFPPUBCQKWZRC-UHFFFAOYSA-N 0 0 179.244 2.019 10 30 AEEERN Oc1ccc2c(c1)[C@@H](S)CC2 757162215 582947069 /nfs/dbraw/zinc/94/70/69/582947069.db2.gz CLYCVQPBIJKFTM-VIFPVBQESA-N 0 0 166.245 2.309 10 30 AEEERN N#CCOc1ccc(CS)cc1 757162442 582947179 /nfs/dbraw/zinc/94/71/79/582947179.db2.gz HQFBRCGIEHLJSN-UHFFFAOYSA-N 0 0 179.244 2.019 10 30 AEEERN O=[N+]([O-])c1ccc(F)c(CS)c1 757159584 582947224 /nfs/dbraw/zinc/94/72/24/582947224.db2.gz QIRBTPAEVOCLJT-UHFFFAOYSA-N 0 0 187.195 2.164 10 30 AEEERN CCO[C@@H]1C[C@@H](S)C1(C)C 757160652 582947469 /nfs/dbraw/zinc/94/74/69/582947469.db2.gz PQNHAPFFYLBSEB-RNFRBKRXSA-N 0 0 160.282 2.120 10 30 AEEERN C[C@@H](S)[C@H]1CCCSC1 757160900 582947471 /nfs/dbraw/zinc/94/74/71/582947471.db2.gz SSBAYLPFFVLYAK-RQJHMYQMSA-N 0 0 162.323 2.448 10 30 AEEERN CCO[C@H]1C[C@H](S)C1(C)C 757160641 582947488 /nfs/dbraw/zinc/94/74/88/582947488.db2.gz PQNHAPFFYLBSEB-BQBZGAKWSA-N 0 0 160.282 2.120 10 30 AEEERN Cc1cccc(CS)c1O 757160792 582947575 /nfs/dbraw/zinc/94/75/75/582947575.db2.gz QJMZHHVWAFIVMV-UHFFFAOYSA-N 0 0 154.234 2.130 10 30 AEEERN C[C@H](S)[C@@H]1CCCSC1 757160898 582947583 /nfs/dbraw/zinc/94/75/83/582947583.db2.gz SSBAYLPFFVLYAK-NKWVEPMBSA-N 0 0 162.323 2.448 10 30 AEEERN COC(OC)[C@H]1CCCC[C@@H]1S 757160975 582947605 /nfs/dbraw/zinc/94/76/05/582947605.db2.gz UBZCMWBRQJRFKQ-YUMQZZPRSA-N 0 0 190.308 2.094 10 30 AEEERN COC(OC)[C@@H]1CCCC[C@H]1S 757160972 582947609 /nfs/dbraw/zinc/94/76/09/582947609.db2.gz UBZCMWBRQJRFKQ-HTQZYQBOSA-N 0 0 190.308 2.094 10 30 AEEERN C[C@@H](S)[C@@H]1CCCSC1 757160899 582947615 /nfs/dbraw/zinc/94/76/15/582947615.db2.gz SSBAYLPFFVLYAK-RNFRBKRXSA-N 0 0 162.323 2.448 10 30 AEEERN CSc1cnc(CS)s1 757162389 582947618 /nfs/dbraw/zinc/94/76/18/582947618.db2.gz DAFQPZCZJNMINX-UHFFFAOYSA-N 0 0 177.319 2.295 10 30 AEEERN C[C@H](S)[C@H]1CCCSC1 757160897 582947706 /nfs/dbraw/zinc/94/77/06/582947706.db2.gz SSBAYLPFFVLYAK-BQBZGAKWSA-N 0 0 162.323 2.448 10 30 AEEERN CCO[C@H]1C[C@@H](S)C1(C)C 757160649 582947724 /nfs/dbraw/zinc/94/77/24/582947724.db2.gz PQNHAPFFYLBSEB-NKWVEPMBSA-N 0 0 160.282 2.120 10 30 AEEERN COCc1csc(CS)c1 757160761 582947777 /nfs/dbraw/zinc/94/77/77/582947777.db2.gz PYQOFYIYQVIBDD-UHFFFAOYSA-N 0 0 174.290 2.324 10 30 AEEERN COC(OC)[C@H]1CCCC[C@H]1S 757160973 582947845 /nfs/dbraw/zinc/94/78/45/582947845.db2.gz UBZCMWBRQJRFKQ-JGVFFNPUSA-N 0 0 190.308 2.094 10 30 AEEERN CCO[C@@H]1C[C@H](S)C1(C)C 757160655 582947855 /nfs/dbraw/zinc/94/78/55/582947855.db2.gz PQNHAPFFYLBSEB-RQJHMYQMSA-N 0 0 160.282 2.120 10 30 AEEERN CCOc1cc(CS)ccc1O 757167135 582947856 /nfs/dbraw/zinc/94/78/56/582947856.db2.gz ZSIYMYSUJDLAAV-UHFFFAOYSA-N 0 0 184.260 2.221 10 30 AEEERN CCn1c(CS)nc2ccccc21 757162391 582947866 /nfs/dbraw/zinc/94/78/66/582947866.db2.gz GSDNBKSHJCJMMZ-UHFFFAOYSA-N 0 0 192.287 2.486 10 30 AEEERN CCc1cnc(CS)s1 757163401 582947884 /nfs/dbraw/zinc/94/78/84/582947884.db2.gz PNIXFNBZKNCGAB-UHFFFAOYSA-N 0 0 159.279 2.135 10 30 AEEERN S[C@@H]1CCOC12CCCC2 757160910 582947891 /nfs/dbraw/zinc/94/78/91/582947891.db2.gz SVWWBUUPNKDVJP-SSDOTTSWSA-N 0 0 158.266 2.018 10 30 AEEERN COc1nc(Cl)c(CS)s1 757161986 582947933 /nfs/dbraw/zinc/94/79/33/582947933.db2.gz AQEDDUSIXWAURO-UHFFFAOYSA-N 0 0 195.696 2.235 10 30 AEEERN S[C@H]1CCOC12CCCC2 757160919 582947978 /nfs/dbraw/zinc/94/79/78/582947978.db2.gz SVWWBUUPNKDVJP-ZETCQYMHSA-N 0 0 158.266 2.018 10 30 AEEERN CCC(C)(C)c1c[nH]c(N)c1C#N 757170511 582948448 /nfs/dbraw/zinc/94/84/48/582948448.db2.gz JHJBKCVOXGMAEP-UHFFFAOYSA-N 0 0 177.251 2.156 10 30 AEEERN Cc1cccc(-n2cc(C#N)c(C)n2)c1 757189040 582949304 /nfs/dbraw/zinc/94/93/04/582949304.db2.gz FFROOLPCTAQSJO-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN Cc1nn(CC(C)(C)C)cc1C#N 757190174 582949685 /nfs/dbraw/zinc/94/96/85/582949685.db2.gz JUOABQCLQGAPAW-UHFFFAOYSA-N 0 0 177.251 2.109 10 30 AEEERN Cc1ccc(-n2cc(C#N)c(C)n2)cc1 757188432 582949705 /nfs/dbraw/zinc/94/97/05/582949705.db2.gz AVZLTNJHTMYIHG-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=CCOC(=O)c1ccc(F)c(F)c1 807602572 582956114 /nfs/dbraw/zinc/95/61/14/582956114.db2.gz FWHKTPGHCXMOLO-UHFFFAOYSA-N 0 0 198.168 2.308 10 30 AEEERN COCCON=C1CC[C@@H]1C(C)(C)C 807975250 582956284 /nfs/dbraw/zinc/95/62/84/582956284.db2.gz LUGXMFQGJDDKBO-VIFPVBQESA-N 0 0 199.294 2.462 10 30 AEEERN COCCON=C1CC[C@H]1C(C)(C)C 807975249 582956476 /nfs/dbraw/zinc/95/64/76/582956476.db2.gz LUGXMFQGJDDKBO-SECBINFHSA-N 0 0 199.294 2.462 10 30 AEEERN COC[C@@H](C)C=NNCC1CCCC1 808006602 582957081 /nfs/dbraw/zinc/95/70/81/582957081.db2.gz WRPZUFLKPTWXRD-JTQLQIEISA-N 0 0 198.310 2.035 10 30 AEEERN C(CCC1CC1)=NOC[C@H]1CCOC1 807983909 582957100 /nfs/dbraw/zinc/95/71/00/582957100.db2.gz BOCTZXGJGWKTQL-NSHDSACASA-N 0 0 197.278 2.216 10 30 AEEERN CO[C@H](C)C(C)=NNCC1CCCC1 808005243 582957272 /nfs/dbraw/zinc/95/72/72/582957272.db2.gz ARCQXLFHFYQGOA-SNVBAGLBSA-N 0 0 198.310 2.177 10 30 AEEERN C(CCC1CC1)=NOC[C@@H]1CCOC1 807983908 582957304 /nfs/dbraw/zinc/95/73/04/582957304.db2.gz BOCTZXGJGWKTQL-LLVKDONJSA-N 0 0 197.278 2.216 10 30 AEEERN COC[C@H](C)C=NNCC1CCCC1 808006606 582957443 /nfs/dbraw/zinc/95/74/43/582957443.db2.gz WRPZUFLKPTWXRD-SNVBAGLBSA-N 0 0 198.310 2.035 10 30 AEEERN C(=NNCC1CCCC1)c1ccoc1 808005633 582957447 /nfs/dbraw/zinc/95/74/47/582957447.db2.gz IGPBTNZTMJLURV-UHFFFAOYSA-N 0 0 192.262 2.393 10 30 AEEERN CCOCC(C)=NNCC1CCCC1 808006931 582957469 /nfs/dbraw/zinc/95/74/69/582957469.db2.gz IFXBMNXHAPXDJP-UHFFFAOYSA-N 0 0 198.310 2.179 10 30 AEEERN CO[C@@H](C)C(C)=NNCC1CCCC1 808005241 582957574 /nfs/dbraw/zinc/95/75/74/582957574.db2.gz ARCQXLFHFYQGOA-JTQLQIEISA-N 0 0 198.310 2.177 10 30 AEEERN N#Cc1ccc(C2=CCCCC2)nn1 757565669 582957923 /nfs/dbraw/zinc/95/79/23/582957923.db2.gz HLJDBWLCRLVVER-UHFFFAOYSA-N 0 0 185.230 2.306 10 30 AEEERN C[C@H](C#N)OC(=O)CC1(C)CCCC1 808620972 582958808 /nfs/dbraw/zinc/95/88/08/582958808.db2.gz RCMTYRDDPLKKCS-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C=CC[C@@H]1CCC(=NN2CCC2)C1 872398327 583368509 /nfs/dbraw/zinc/36/85/09/583368509.db2.gz OHEJPAYPMZQYRQ-SNVBAGLBSA-N 0 0 178.279 2.424 10 30 AEEERN C[C@@H](C#N)OC(=O)CC1(C)CCCC1 808620982 582959269 /nfs/dbraw/zinc/95/92/69/582959269.db2.gz RCMTYRDDPLKKCS-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C=CC[C@H]1CCC(=NN2CCC2)C1 872398326 583368542 /nfs/dbraw/zinc/36/85/42/583368542.db2.gz OHEJPAYPMZQYRQ-JTQLQIEISA-N 0 0 178.279 2.424 10 30 AEEERN CCC(=O)OC[C@H]1CC[C@@H](C#N)CC1 809088708 582959802 /nfs/dbraw/zinc/95/98/02/582959802.db2.gz ZFMWWIMTVFNNQW-AOOOYVTPSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCCc1nc([C@@H]2C[C@@H]2C)no1 809421806 582960567 /nfs/dbraw/zinc/96/05/67/582960567.db2.gz APTUGINSSRCLGN-DTWKUNHWSA-N 0 0 190.246 2.149 10 30 AEEERN C#CCCCc1nc(C2CCC2)no1 809302584 582960736 /nfs/dbraw/zinc/96/07/36/582960736.db2.gz COPIRUAMLNCFSZ-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN C=CCCC(=O)O[C@H]1C[C@@H](OCC)C1 809118546 582961065 /nfs/dbraw/zinc/96/10/65/582961065.db2.gz JOXIKSAGWHDRAO-AOOOYVTPSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCCC(=O)O[C@H]1C[C@@H](OC)C1 809112112 582961183 /nfs/dbraw/zinc/96/11/83/582961183.db2.gz KBVCWKPLEJBSJO-AOOOYVTPSA-N 0 0 198.262 2.063 10 30 AEEERN C#CCCCc1nc([C@@H]2C[C@H]2C)no1 809421808 582961505 /nfs/dbraw/zinc/96/15/05/582961505.db2.gz APTUGINSSRCLGN-RKDXNWHRSA-N 0 0 190.246 2.149 10 30 AEEERN C#CCCCc1nc([C@H]2C[C@@H]2C)no1 809421807 582961507 /nfs/dbraw/zinc/96/15/07/582961507.db2.gz APTUGINSSRCLGN-IUCAKERBSA-N 0 0 190.246 2.149 10 30 AEEERN C#CCCCc1nc([C@H]2C[C@H]2C)no1 809421805 582961539 /nfs/dbraw/zinc/96/15/39/582961539.db2.gz APTUGINSSRCLGN-BDAKNGLRSA-N 0 0 190.246 2.149 10 30 AEEERN C#CCN(C)C(=O)CC1(C)CCCC1 809794826 582962424 /nfs/dbraw/zinc/96/24/24/582962424.db2.gz IGNMUKFHYUJNNB-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C#C[C@@H](C)NC(=O)CC1(C)CCCC1 809778901 582962520 /nfs/dbraw/zinc/96/25/20/582962520.db2.gz XKALHIGTFDFKBK-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN CON(CC#N)C[C@H]1CCC[C@@H](C)C1 810136522 582964210 /nfs/dbraw/zinc/96/42/10/582964210.db2.gz BEQBRWDRWBVDDO-MNOVXSKESA-N 0 0 196.294 2.200 10 30 AEEERN CON(CC#N)C[C@@H]1CCC[C@@H](C)C1 810136519 582964271 /nfs/dbraw/zinc/96/42/71/582964271.db2.gz BEQBRWDRWBVDDO-GHMZBOCLSA-N 0 0 196.294 2.200 10 30 AEEERN C#CCCCOC(=O)C1(CCF)CC1 810542093 582964447 /nfs/dbraw/zinc/96/44/47/582964447.db2.gz VUGZQGLLQKEVMX-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN C#CCC(C)(C)C(=O)OC[C@H]1C[C@@H]1C 810553797 582964555 /nfs/dbraw/zinc/96/45/55/582964555.db2.gz MCONAANNZHGEAF-VHSXEESVSA-N 0 0 194.274 2.235 10 30 AEEERN CON(CC#N)C[C@H]1CCC[C@H](C)C1 810136525 582964635 /nfs/dbraw/zinc/96/46/35/582964635.db2.gz BEQBRWDRWBVDDO-QWRGUYRKSA-N 0 0 196.294 2.200 10 30 AEEERN C#CCC(C)(C)C(=O)OC[C@@H]1C[C@H]1C 810553798 582964644 /nfs/dbraw/zinc/96/46/44/582964644.db2.gz MCONAANNZHGEAF-ZJUUUORDSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCC(C)(C)C(=O)OC[C@@H]1C[C@@H]1C 810553796 582964748 /nfs/dbraw/zinc/96/47/48/582964748.db2.gz MCONAANNZHGEAF-UWVGGRQHSA-N 0 0 194.274 2.235 10 30 AEEERN C=C(C)CCn1ccnc1[C@@H](O)CC 810003799 582964759 /nfs/dbraw/zinc/96/47/59/582964759.db2.gz NZNRVUITZDDJCX-JTQLQIEISA-N 0 0 194.278 2.293 10 30 AEEERN C=C(C)CCn1ccnc1[C@H](O)CC 810003800 582964765 /nfs/dbraw/zinc/96/47/65/582964765.db2.gz NZNRVUITZDDJCX-SNVBAGLBSA-N 0 0 194.278 2.293 10 30 AEEERN C#CCC(C)(C)C(=O)OC[C@H]1C[C@H]1C 810553795 582964833 /nfs/dbraw/zinc/96/48/33/582964833.db2.gz MCONAANNZHGEAF-NXEZZACHSA-N 0 0 194.274 2.235 10 30 AEEERN CON(CC#N)C[C@@H]1CCC[C@H](C)C1 810136526 582964689 /nfs/dbraw/zinc/96/46/89/582964689.db2.gz BEQBRWDRWBVDDO-WDEREUQCSA-N 0 0 196.294 2.200 10 30 AEEERN C#CCC1(OC(=O)/C(C)=C\C)CCC1 810749789 582965310 /nfs/dbraw/zinc/96/53/10/582965310.db2.gz USBJAMZBKLYDNW-YHYXMXQVSA-N 0 0 192.258 2.442 10 30 AEEERN C#CCC(C)(C)C(=O)O[C@@H]1C=CCC1 810662610 582965322 /nfs/dbraw/zinc/96/53/22/582965322.db2.gz MYLCKNADWRKVJH-SNVBAGLBSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](C)OC(=O)C1(F)CCCCC1 810594972 582965326 /nfs/dbraw/zinc/96/53/26/582965326.db2.gz XRHZHGRJJGRANU-SECBINFHSA-N 0 0 198.237 2.224 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(CCF)CC1 810678756 582965409 /nfs/dbraw/zinc/96/54/09/582965409.db2.gz CHDGYHGXLKALQR-VIFPVBQESA-N 0 0 198.237 2.081 10 30 AEEERN N#CCCSCc1cscn1 840211420 582965412 /nfs/dbraw/zinc/96/54/12/582965412.db2.gz BBXWYUDHRJIKOL-UHFFFAOYSA-N 0 0 184.289 2.290 10 30 AEEERN C/C=C(/C)C(=O)OC1(CC#N)CCC1 810857892 582965597 /nfs/dbraw/zinc/96/55/97/582965597.db2.gz BLINSUNEUYFBJC-OQFOIZHKSA-N 0 0 193.246 2.332 10 30 AEEERN CC#CCCOC(=O)C1(CCF)CC1 810663869 582965732 /nfs/dbraw/zinc/96/57/32/582965732.db2.gz IRYNGFBYOAEHRC-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(CCF)CC1 810678755 582965771 /nfs/dbraw/zinc/96/57/71/582965771.db2.gz CHDGYHGXLKALQR-SECBINFHSA-N 0 0 198.237 2.081 10 30 AEEERN C#C[C@H](C)OC(=O)C1(F)CCCCC1 810594973 582965792 /nfs/dbraw/zinc/96/57/92/582965792.db2.gz XRHZHGRJJGRANU-VIFPVBQESA-N 0 0 198.237 2.224 10 30 AEEERN C#CCC(C)(C)C(=O)OCC1(F)CC1 810784926 582965836 /nfs/dbraw/zinc/96/58/36/582965836.db2.gz DYCCUAHYJQFTDQ-UHFFFAOYSA-N 0 0 198.237 2.081 10 30 AEEERN C#CCC(C)(C)C(=O)OCC1(C)CC1 810787852 582965841 /nfs/dbraw/zinc/96/58/41/582965841.db2.gz FLXDSHKAJNDPQQ-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C/C=C(\C)C(=O)OC1(CC#N)CCC1 810857893 582965870 /nfs/dbraw/zinc/96/58/70/582965870.db2.gz BLINSUNEUYFBJC-YCRREMRBSA-N 0 0 193.246 2.332 10 30 AEEERN C#CCC1(OC(=O)/C(C)=C/C)CCC1 810749788 582965882 /nfs/dbraw/zinc/96/58/82/582965882.db2.gz USBJAMZBKLYDNW-BJMVGYQFSA-N 0 0 192.258 2.442 10 30 AEEERN C#CCC(C)(C)C(=O)O[C@H]1C=CCC1 810662607 582965918 /nfs/dbraw/zinc/96/59/18/582965918.db2.gz MYLCKNADWRKVJH-JTQLQIEISA-N 0 0 192.258 2.298 10 30 AEEERN C[C@H](C#N)OC(=O)C1(F)CCCCC1 811248482 582966189 /nfs/dbraw/zinc/96/61/89/582966189.db2.gz BAQFJAZNOYUSSZ-MRVPVSSYSA-N 0 0 199.225 2.114 10 30 AEEERN C[C@@H](C#N)OC(=O)C1(F)CCCCC1 811248484 582966440 /nfs/dbraw/zinc/96/64/40/582966440.db2.gz BAQFJAZNOYUSSZ-QMMMGPOBSA-N 0 0 199.225 2.114 10 30 AEEERN C=CCCCCOC(=O)c1cocn1 811013865 582966706 /nfs/dbraw/zinc/96/67/06/582966706.db2.gz LIJAYBCFYHHBAO-UHFFFAOYSA-N 0 0 195.218 2.188 10 30 AEEERN C=CCN(Cc1n[nH]cc1C)C(C)C 811457066 582966751 /nfs/dbraw/zinc/96/67/51/582966751.db2.gz YICPZCIECQGYEN-UHFFFAOYSA-N 0 0 193.294 2.115 10 30 AEEERN C=C(C)CNN=Cc1ccc(C#N)cc1 811652731 582967188 /nfs/dbraw/zinc/96/71/88/582967188.db2.gz VZBGICWPLSRVOT-UHFFFAOYSA-N 0 0 199.257 2.058 10 30 AEEERN C=C(C)CNN=C1CCC[C@@H]1OCC 811651996 582967219 /nfs/dbraw/zinc/96/72/19/582967219.db2.gz VRZQYVJXVCXEQZ-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=Cc1ccc(C)cc1 811650699 582967289 /nfs/dbraw/zinc/96/72/89/582967289.db2.gz MDSTZDRNFSPFBH-UHFFFAOYSA-N 0 0 188.274 2.495 10 30 AEEERN C=C(C)CN=NC1CCC[C@H](OC)C1 811651016 582967326 /nfs/dbraw/zinc/96/73/26/582967326.db2.gz BWJCERPNHVIDIR-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CN=NC(CCOC)C(C)C 811650250 582967373 /nfs/dbraw/zinc/96/73/73/582967373.db2.gz SFIMXBWQPMAIMF-UHFFFAOYSA-N 0 0 198.310 2.201 10 30 AEEERN C=C(C)CNN=C1CCC[C@@H](OC)C1 811651015 582967383 /nfs/dbraw/zinc/96/73/83/582967383.db2.gz BWJCERPNHVIDIR-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CN=NC1CCC[C@H]1OCC 811651995 582967385 /nfs/dbraw/zinc/96/73/85/582967385.db2.gz VRZQYVJXVCXEQZ-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=C/C=C\c1ccco1 811650782 582967389 /nfs/dbraw/zinc/96/73/89/582967389.db2.gz PXMVAUBRCZLMJZ-DODNQKSLSA-N 0 0 190.246 2.444 10 30 AEEERN C=C(C)CNN=C(C)c1ccc(C)o1 811651003 582967398 /nfs/dbraw/zinc/96/73/98/582967398.db2.gz BGQFFJIUNGCFIV-UHFFFAOYSA-N 0 0 192.262 2.478 10 30 AEEERN C=C(C)CNN=Cc1cc(C)[nH]c1C 811651726 582967406 /nfs/dbraw/zinc/96/74/06/582967406.db2.gz LJEKKFMITMDOHB-UHFFFAOYSA-N 0 0 191.278 2.131 10 30 AEEERN C=C(C)CNN=Cc1cc(C)oc1C 811650175 582967412 /nfs/dbraw/zinc/96/74/12/582967412.db2.gz NZWLNJMNIJXOMH-UHFFFAOYSA-N 0 0 192.262 2.396 10 30 AEEERN C=C(C)CNN=Cc1ccc(F)cc1 811652274 582967414 /nfs/dbraw/zinc/96/74/14/582967414.db2.gz GCGOQBIMELJRDR-UHFFFAOYSA-N 0 0 192.237 2.325 10 30 AEEERN C=C(C)CNN=C/C=C/c1ccco1 811650783 582967440 /nfs/dbraw/zinc/96/74/40/582967440.db2.gz PXMVAUBRCZLMJZ-WEHZAMEESA-N 0 0 190.246 2.444 10 30 AEEERN C=C(C)CNN=Cc1cccc(C#N)c1 811651169 582967458 /nfs/dbraw/zinc/96/74/58/582967458.db2.gz JZYIWLMVPPQNIE-UHFFFAOYSA-N 0 0 199.257 2.058 10 30 AEEERN C=C(C)CN=NC1CCCC[C@H]1OC 811650825 582967519 /nfs/dbraw/zinc/96/75/19/582967519.db2.gz RVNKUHUAECVEDL-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=C1CCC(OC)CC1 811651120 582967532 /nfs/dbraw/zinc/96/75/32/582967532.db2.gz HHYZOFBORHCTTN-UHFFFAOYSA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CN=NC1CCCC[C@@H]1OC 811650826 582967596 /nfs/dbraw/zinc/96/75/96/582967596.db2.gz RVNKUHUAECVEDL-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=Cc1ccccc1C#N 811651927 582967684 /nfs/dbraw/zinc/96/76/84/582967684.db2.gz RCLGONHSKKDSOG-UHFFFAOYSA-N 0 0 199.257 2.058 10 30 AEEERN C=C(C)CNN=Cc1ccccc1F 811652200 582967741 /nfs/dbraw/zinc/96/77/41/582967741.db2.gz CZUCRSHNJVSWHJ-UHFFFAOYSA-N 0 0 192.237 2.325 10 30 AEEERN C=C(C)CNN=C(C)c1occc1C 811652831 582967751 /nfs/dbraw/zinc/96/77/51/582967751.db2.gz ZGBNQCYTXJIHEZ-UHFFFAOYSA-N 0 0 192.262 2.478 10 30 AEEERN C=C(C)CNN=C(CCCC)COC 811651100 582967757 /nfs/dbraw/zinc/96/77/57/582967757.db2.gz GYAQKPGSCROBGN-UHFFFAOYSA-N 0 0 198.310 2.345 10 30 AEEERN C=C(C)CNN=Cc1cccc(F)c1 811651536 582967808 /nfs/dbraw/zinc/96/78/08/582967808.db2.gz CENDJAZDMVGEST-UHFFFAOYSA-N 0 0 192.237 2.325 10 30 AEEERN C=C(C)CNN=Cc1[nH]c(C)cc1C 811650240 582967919 /nfs/dbraw/zinc/96/79/19/582967919.db2.gz RMPSBDNMQZJOBE-UHFFFAOYSA-N 0 0 191.278 2.131 10 30 AEEERN C=C(C)CNN=Cc1ccc(CC)o1 811651511 582967928 /nfs/dbraw/zinc/96/79/28/582967928.db2.gz AWTUISKUAZDWSA-UHFFFAOYSA-N 0 0 192.262 2.342 10 30 AEEERN CC(=NOC1CCC1)c1ccncc1 812235272 582969315 /nfs/dbraw/zinc/96/93/15/582969315.db2.gz BPRHYOUFVVHTBU-UHFFFAOYSA-N 0 0 190.246 2.375 10 30 AEEERN C#CCON=Cc1ccc2[nH]ccc2c1 812234247 582969465 /nfs/dbraw/zinc/96/94/65/582969465.db2.gz BZGBRRIRHSZGDO-UHFFFAOYSA-N 0 0 198.225 2.152 10 30 AEEERN C#CCON=C(C)CCc1ccco1 812233908 582969483 /nfs/dbraw/zinc/96/94/83/582969483.db2.gz HLDCIARVBKQYKU-UHFFFAOYSA-N 0 0 191.230 2.238 10 30 AEEERN C#CCON=Cc1cc(C)ccc1F 812236145 582969590 /nfs/dbraw/zinc/96/95/90/582969590.db2.gz HZTYYPWQPUBGIW-UHFFFAOYSA-N 0 0 191.205 2.118 10 30 AEEERN Cc1cccnc1C=NOC1CCC1 812235411 582969596 /nfs/dbraw/zinc/96/95/96/582969596.db2.gz GFHBQOKWHGCCRN-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CCCC1CC1 812557525 582969925 /nfs/dbraw/zinc/96/99/25/582969925.db2.gz FAHSTULPOYBQEF-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(CC)C(=O)CCCC1CC1 812527759 582970389 /nfs/dbraw/zinc/97/03/89/582970389.db2.gz FODAKLZSHPZHPX-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CCCC1CC1 812557526 582970394 /nfs/dbraw/zinc/97/03/94/582970394.db2.gz FAHSTULPOYBQEF-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C=CCNC(=O)N1CCCCCCC1 813453474 582974828 /nfs/dbraw/zinc/97/48/28/582974828.db2.gz CTLAMMKOIQTPQN-UHFFFAOYSA-N 0 0 196.294 2.148 10 30 AEEERN C=CCN(CCC#N)Cc1ccoc1 814170843 582976492 /nfs/dbraw/zinc/97/64/92/582976492.db2.gz FDGDEFZHOHZQMC-UHFFFAOYSA-N 0 0 190.246 2.181 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@H]1C[C@H]1CCC 813086911 582972211 /nfs/dbraw/zinc/97/22/11/582972211.db2.gz VXBHYSGPYADZDB-OUAUKWLOSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCCC(=O)OC[C@H]1CC1(C)C 813130787 582972224 /nfs/dbraw/zinc/97/22/24/582972224.db2.gz YOZZQHTVRMJTSL-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@H](CC#N)OC(=O)CCCC1CC1 813068822 582972243 /nfs/dbraw/zinc/97/22/43/582972243.db2.gz UMCRFBUAICYAKE-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN CCC[C@@H]1C[C@H]1C(=O)OC[C@@H](C)C#N 813078092 582972297 /nfs/dbraw/zinc/97/22/97/582972297.db2.gz GKRHXYNQMYRPHW-IVZWLZJFSA-N 0 0 195.262 2.125 10 30 AEEERN CC1(COC(=O)CCCC#N)CCC1 813090749 582972329 /nfs/dbraw/zinc/97/23/29/582972329.db2.gz BCPFBABWKPOJRX-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN CC(C)(C#N)OC(=O)CCCC1CC1 813076955 582972372 /nfs/dbraw/zinc/97/23/72/582972372.db2.gz QSTYDVRHYQBDER-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN N#CCCCC(=O)OC1(C2CC2)CC1 813074284 582972387 /nfs/dbraw/zinc/97/23/87/582972387.db2.gz XYKFIWPWNVNSFB-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN C[C@@H](CC#N)OC(=O)CCCC1CC1 813068823 582972409 /nfs/dbraw/zinc/97/24/09/582972409.db2.gz UMCRFBUAICYAKE-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CC1(CCOC(=O)CCCC#N)CC1 813092018 582972445 /nfs/dbraw/zinc/97/24/45/582972445.db2.gz YBDIOCALDNSKHI-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C[C@H](C#N)COC(=O)CCCC1CC1 813078651 582972475 /nfs/dbraw/zinc/97/24/75/582972475.db2.gz NYMWTKCUPQBDCH-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1C[C@H]1CCC 813086910 582972530 /nfs/dbraw/zinc/97/25/30/582972530.db2.gz VXBHYSGPYADZDB-GMTAPVOTSA-N 0 0 194.274 2.378 10 30 AEEERN C[C@@H](C#N)COC(=O)CCCC1CC1 813078652 582972558 /nfs/dbraw/zinc/97/25/58/582972558.db2.gz NYMWTKCUPQBDCH-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@H](COC(=O)CCCC#N)C1CC1 813095666 582972774 /nfs/dbraw/zinc/97/27/74/582972774.db2.gz YXXGMKAGBBDBPK-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CCC[C@@H]1C[C@H]1C(=O)OC[C@H](C)C#N 813078093 582972794 /nfs/dbraw/zinc/97/27/94/582972794.db2.gz GKRHXYNQMYRPHW-OPRDCNLKSA-N 0 0 195.262 2.125 10 30 AEEERN CC1(C)C[C@@H]1COC(=O)CCCC#N 813126643 582972891 /nfs/dbraw/zinc/97/28/91/582972891.db2.gz LUPVNTFFBFGMEV-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CCC[C@@H]1C[C@H]1C(=O)OC(C)(C)C#N 813077339 582972924 /nfs/dbraw/zinc/97/29/24/582972924.db2.gz VMTQETBQXYBDQD-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](COC(=O)CCCC#N)C1CC1 813095667 582972928 /nfs/dbraw/zinc/97/29/28/582972928.db2.gz YXXGMKAGBBDBPK-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C#CCC(C)(C)C(=O)OC1CC(C)C1 813228074 582973459 /nfs/dbraw/zinc/97/34/59/582973459.db2.gz FICVASQPCDHGBU-UHFFFAOYSA-N 0 0 194.274 2.378 10 30 AEEERN CC1CC(OC(=O)CC(C)(C)C#N)C1 813234259 582973464 /nfs/dbraw/zinc/97/34/64/582973464.db2.gz GNNKBKKLCMDCGQ-UHFFFAOYSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCCC(=O)Nc1n[nH]cc1C 813538206 582974673 /nfs/dbraw/zinc/97/46/73/582974673.db2.gz SNMVZJZRQJZEEA-UHFFFAOYSA-N 0 0 193.250 2.013 10 30 AEEERN CC(=NOCC1CC1)c1cnoc1C 814241203 582975705 /nfs/dbraw/zinc/97/57/05/582975705.db2.gz GBYMHNSCUYOGOC-UHFFFAOYSA-N 0 0 194.234 2.134 10 30 AEEERN Cc1ncccc1C=NOCC1CC1 814241192 582975777 /nfs/dbraw/zinc/97/57/77/582975777.db2.gz FRBNCJGEQKFTAY-UHFFFAOYSA-N 0 0 190.246 2.151 10 30 AEEERN COC1(C=NOCC2CC2)CCCC1 814241200 582975863 /nfs/dbraw/zinc/97/58/63/582975863.db2.gz FYLFDSHEMROUCN-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN Cc1nc(C)c(C=NOCC2CC2)o1 814241105 582976071 /nfs/dbraw/zinc/97/60/71/582976071.db2.gz DERIQPDOQSMYAF-UHFFFAOYSA-N 0 0 194.234 2.052 10 30 AEEERN CC(=NOCC1CC1)c1ccccn1 814243028 582976169 /nfs/dbraw/zinc/97/61/69/582976169.db2.gz BQJZHKZIVWBIAD-UHFFFAOYSA-N 0 0 190.246 2.232 10 30 AEEERN Cc1ccc(C=NOCC2CC2)nc1 814240917 582976298 /nfs/dbraw/zinc/97/62/98/582976298.db2.gz AVRVCXSWZBXHRL-UHFFFAOYSA-N 0 0 190.246 2.151 10 30 AEEERN CC(=NOCC1CC1)[C@@H]1CCCOC1 814241067 582976320 /nfs/dbraw/zinc/97/63/20/582976320.db2.gz CYHHXIJZWNWYNC-LLVKDONJSA-N 0 0 197.278 2.216 10 30 AEEERN CC(=NOCC1CC1)[C@H]1CCCOC1 814241068 582976329 /nfs/dbraw/zinc/97/63/29/582976329.db2.gz CYHHXIJZWNWYNC-NSHDSACASA-N 0 0 197.278 2.216 10 30 AEEERN CCOC1CC(C=NOCC2CC2)C1 814242404 582976379 /nfs/dbraw/zinc/97/63/79/582976379.db2.gz ZPYUTDJEGAGHDY-UHFFFAOYSA-N 0 0 197.278 2.214 10 30 AEEERN C(CC[C@@H]1CCOC1)=NOCC1CC1 814244100 582976756 /nfs/dbraw/zinc/97/67/56/582976756.db2.gz ZNMYBCFEDNKXNT-SNVBAGLBSA-N 0 0 197.278 2.216 10 30 AEEERN C(CC[C@H]1CCOC1)=NOCC1CC1 814244099 582976783 /nfs/dbraw/zinc/97/67/83/582976783.db2.gz ZNMYBCFEDNKXNT-JTQLQIEISA-N 0 0 197.278 2.216 10 30 AEEERN C[C@H]1CC(=NOCCC2CC2)CCO1 814245691 582976820 /nfs/dbraw/zinc/97/68/20/582976820.db2.gz DAHLZOODHMQUNA-VIFPVBQESA-N 0 0 197.278 2.358 10 30 AEEERN C(C[C@@H]1CCOC1)=NOCCC1CC1 814245658 582976822 /nfs/dbraw/zinc/97/68/22/582976822.db2.gz BONAQRDSVBOKRZ-LLVKDONJSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@@H]1CC(=NOCCC2CC2)CCO1 814245690 582976928 /nfs/dbraw/zinc/97/69/28/582976928.db2.gz DAHLZOODHMQUNA-SECBINFHSA-N 0 0 197.278 2.358 10 30 AEEERN CC[C@H]1CC(=NOCC2CC2)CCO1 814244163 582976982 /nfs/dbraw/zinc/97/69/82/582976982.db2.gz GZGNPTMLSMMKPG-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C(C[C@H]1CCOC1)=NOCCC1CC1 814245659 582977066 /nfs/dbraw/zinc/97/70/66/582977066.db2.gz BONAQRDSVBOKRZ-NSHDSACASA-N 0 0 197.278 2.216 10 30 AEEERN CC1(C=NOCC2CC2)CCOCC1 814244399 582977205 /nfs/dbraw/zinc/97/72/05/582977205.db2.gz REPWFBRZUYBLKB-UHFFFAOYSA-N 0 0 197.278 2.216 10 30 AEEERN CC[C@@H]1CC(=NOCC2CC2)CCO1 814244162 582977225 /nfs/dbraw/zinc/97/72/25/582977225.db2.gz GZGNPTMLSMMKPG-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN c1cc2n(c1)CCC2=NOCC1CC1 814243564 582977246 /nfs/dbraw/zinc/97/72/46/582977246.db2.gz CQAZQMFVLMNAGC-UHFFFAOYSA-N 0 0 190.246 2.023 10 30 AEEERN Cn1cccc1C=NOCCC1CC1 814245031 582977263 /nfs/dbraw/zinc/97/72/63/582977263.db2.gz HSQGFBOEKODCFE-UHFFFAOYSA-N 0 0 192.262 2.176 10 30 AEEERN Cn1ccc(C=NOCCC2CC2)c1 814244781 582977384 /nfs/dbraw/zinc/97/73/84/582977384.db2.gz CFIBLWUOTYLIKS-UHFFFAOYSA-N 0 0 192.262 2.176 10 30 AEEERN C=CCCOC(=O)c1nc(C)oc1C 814503441 582977732 /nfs/dbraw/zinc/97/77/32/582977732.db2.gz DUMKIPGZTSUDBB-UHFFFAOYSA-N 0 0 195.218 2.024 10 30 AEEERN C#CCN(CC)C(=O)C(C)(C)CC=C 814620147 582977970 /nfs/dbraw/zinc/97/79/70/582977970.db2.gz FQCLPRNJHKHQCJ-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN C=CCNN=C(C)CC1(OC)CCC1 814928049 582980649 /nfs/dbraw/zinc/98/06/49/582980649.db2.gz TXUQDYRDRZVYQR-UHFFFAOYSA-N 0 0 196.294 2.097 10 30 AEEERN C(=NNc1ccccc1)c1cocn1 814684434 582978662 /nfs/dbraw/zinc/97/86/62/582978662.db2.gz UBNLIGKORJVOCC-UHFFFAOYSA-N 0 0 187.202 2.121 10 30 AEEERN CON=C1CCCC[C@H]1[C@@H]1CCOC1 814797702 582978953 /nfs/dbraw/zinc/97/89/53/582978953.db2.gz SKTGYKRVMCQHLS-ZJUUUORDSA-N 0 0 197.278 2.216 10 30 AEEERN CON=C1CCCC[C@@H]1[C@H]1CCOC1 814797701 582978954 /nfs/dbraw/zinc/97/89/54/582978954.db2.gz SKTGYKRVMCQHLS-VHSXEESVSA-N 0 0 197.278 2.216 10 30 AEEERN CCON=C(CC)c1ccc(F)cn1 814788622 582978732 /nfs/dbraw/zinc/97/87/32/582978732.db2.gz DEKUZTHKOGBUIA-UHFFFAOYSA-N 0 0 196.225 2.371 10 30 AEEERN CCON=Cc1cc(OC)ccc1F 814788345 582978752 /nfs/dbraw/zinc/97/87/52/582978752.db2.gz PRCCEWGJCWNLBU-UHFFFAOYSA-N 0 0 197.209 2.205 10 30 AEEERN CON=C1COc2cc(C)c(C)cc21 814795645 582978892 /nfs/dbraw/zinc/97/88/92/582978892.db2.gz GMODQFRNZCFPHR-UHFFFAOYSA-N 0 0 191.230 2.046 10 30 AEEERN CON=C1CCCC[C@@H]1[C@@H]1CCOC1 814797656 582979007 /nfs/dbraw/zinc/97/90/07/582979007.db2.gz SKTGYKRVMCQHLS-NXEZZACHSA-N 0 0 197.278 2.216 10 30 AEEERN CCCNN=C(C)CC1(OC)CCC1 814805384 582979233 /nfs/dbraw/zinc/97/92/33/582979233.db2.gz WQZWVDKOOAWNBI-UHFFFAOYSA-N 0 0 198.310 2.321 10 30 AEEERN CON=C1CCCC[C@H]1[C@H]1CCOC1 814797663 582979371 /nfs/dbraw/zinc/97/93/71/582979371.db2.gz SKTGYKRVMCQHLS-UWVGGRQHSA-N 0 0 197.278 2.216 10 30 AEEERN COC[C@H](C)N=NC(C)[C@@H]1CC1(C)C 814895750 582979769 /nfs/dbraw/zinc/97/97/69/582979769.db2.gz UFRJOYIPBPTQDQ-WPRPVWTQSA-N 0 0 198.310 2.033 10 30 AEEERN CC(=NNC[C@H](C)C#N)[C@H]1CC1(C)C 814881188 582979809 /nfs/dbraw/zinc/97/98/09/582979809.db2.gz KUWCHWSOKQFJDT-PSASIEDQSA-N 0 0 193.294 2.158 10 30 AEEERN C1CC[C@H](ON=C2CC3(CC3)C2)OC1 814886836 582979813 /nfs/dbraw/zinc/97/98/13/582979813.db2.gz FBTULZOHVQXRDJ-JTQLQIEISA-N 0 0 195.262 2.460 10 30 AEEERN CC(=NN[C@@H](C)CC#N)[C@@H]1CC1(C)C 814883655 582979822 /nfs/dbraw/zinc/97/98/22/582979822.db2.gz VPORTDVCKNHLHN-WPRPVWTQSA-N 0 0 193.294 2.300 10 30 AEEERN CC(=NN[C@H](C)CC#N)[C@H]1CC1(C)C 814883652 582979847 /nfs/dbraw/zinc/97/98/47/582979847.db2.gz VPORTDVCKNHLHN-PSASIEDQSA-N 0 0 193.294 2.300 10 30 AEEERN C[C@H]1CCC(=NOC2CCOCC2)C1 814907293 582979939 /nfs/dbraw/zinc/97/99/39/582979939.db2.gz CEZDQZWYRYVUEM-VIFPVBQESA-N 0 0 197.278 2.358 10 30 AEEERN CC(=NN[C@@H](C)CC#N)[C@H]1CC1(C)C 814883654 582979960 /nfs/dbraw/zinc/97/99/60/582979960.db2.gz VPORTDVCKNHLHN-WCBMZHEXSA-N 0 0 193.294 2.300 10 30 AEEERN CCC(CC)NN=Cc1conc1C 814851841 582979977 /nfs/dbraw/zinc/97/99/77/582979977.db2.gz XIOJIBMHTCVHMT-UHFFFAOYSA-N 0 0 195.266 2.095 10 30 AEEERN CC(=NNC[C@@H](C)C#N)[C@@H]1CC1(C)C 814881191 582980009 /nfs/dbraw/zinc/98/00/09/582980009.db2.gz KUWCHWSOKQFJDT-WPRPVWTQSA-N 0 0 193.294 2.158 10 30 AEEERN CC(=NNC[C@@H](C)C#N)[C@H]1CC1(C)C 814881190 582980044 /nfs/dbraw/zinc/98/00/44/582980044.db2.gz KUWCHWSOKQFJDT-WCBMZHEXSA-N 0 0 193.294 2.158 10 30 AEEERN CC(=NNC[C@H](C)C#N)[C@@H]1CC1(C)C 814881189 582980063 /nfs/dbraw/zinc/98/00/63/582980063.db2.gz KUWCHWSOKQFJDT-SCZZXKLOSA-N 0 0 193.294 2.158 10 30 AEEERN CC(=NN[C@H](C)CC#N)[C@@H]1CC1(C)C 814883653 582980187 /nfs/dbraw/zinc/98/01/87/582980187.db2.gz VPORTDVCKNHLHN-SCZZXKLOSA-N 0 0 193.294 2.300 10 30 AEEERN C1CC[C@@H](ON=C2CC3(CC3)C2)OC1 814886837 582980268 /nfs/dbraw/zinc/98/02/68/582980268.db2.gz FBTULZOHVQXRDJ-SNVBAGLBSA-N 0 0 195.262 2.460 10 30 AEEERN C(=NOCCC1CC1)[C@@H]1CCCOC1 814940859 582980547 /nfs/dbraw/zinc/98/05/47/582980547.db2.gz CLAUSXHSJUIMMG-NSHDSACASA-N 0 0 197.278 2.216 10 30 AEEERN COCCCNN=C(C)[C@H]1CC1(C)C 814919315 582980557 /nfs/dbraw/zinc/98/05/57/582980557.db2.gz PPEUSUZRJAACLS-SNVBAGLBSA-N 0 0 198.310 2.035 10 30 AEEERN COCCCON=C(C)[C@@H]1CC1(C)C 814931009 582980614 /nfs/dbraw/zinc/98/06/14/582980614.db2.gz CAWLLTBAZXPMQB-JTQLQIEISA-N 0 0 199.294 2.462 10 30 AEEERN COCCCON=C1CC[C@@H]1C1CC1 814931354 582980623 /nfs/dbraw/zinc/98/06/23/582980623.db2.gz DWBSMYDRWMJYJR-SNVBAGLBSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@H](NN=Cc1cocn1)C(C)(C)C 814937608 582980632 /nfs/dbraw/zinc/98/06/32/582980632.db2.gz MGAXNBTZZVXDOG-QMMMGPOBSA-N 0 0 195.266 2.033 10 30 AEEERN CC[C@H](C)CON=Cc1conc1C 814939370 582980641 /nfs/dbraw/zinc/98/06/41/582980641.db2.gz OAXVCDPJSSQJCF-QMMMGPOBSA-N 0 0 196.250 2.380 10 30 AEEERN C=C(C)CNN=C1CCC[C@H](C#N)C1 814932620 582980655 /nfs/dbraw/zinc/98/06/55/582980655.db2.gz MDDUPWXBPSCTTO-JTQLQIEISA-N 0 0 191.278 2.222 10 30 AEEERN C(=NOCCC1CC1)[C@H]1CCCOC1 814940858 582980709 /nfs/dbraw/zinc/98/07/09/582980709.db2.gz CLAUSXHSJUIMMG-LLVKDONJSA-N 0 0 197.278 2.216 10 30 AEEERN CC[C@@H](C)CON=C[C@@H]1CCCOC1 814939186 582980712 /nfs/dbraw/zinc/98/07/12/582980712.db2.gz HIEXQZGTYZIVQN-MNOVXSKESA-N 0 0 199.294 2.462 10 30 AEEERN COCCCNN=C(C)[C@@H]1CC1(C)C 814919314 582980727 /nfs/dbraw/zinc/98/07/27/582980727.db2.gz PPEUSUZRJAACLS-JTQLQIEISA-N 0 0 198.310 2.035 10 30 AEEERN CO[C@@](C)(C=NOCC1CC1)C1CC1 814940885 582980741 /nfs/dbraw/zinc/98/07/41/582980741.db2.gz FCZNIUMSCHIQJQ-NSHDSACASA-N 0 0 197.278 2.214 10 30 AEEERN COCCCON=C1CC[C@@H]1C(C)C 814931782 582980756 /nfs/dbraw/zinc/98/07/56/582980756.db2.gz QXFSKWYICXAURD-SNVBAGLBSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@@H](C)CON=C[C@H]1CCCOC1 814939185 582980811 /nfs/dbraw/zinc/98/08/11/582980811.db2.gz HIEXQZGTYZIVQN-GHMZBOCLSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@H](C)CON=C[C@H]1CCCOC1 814939188 582980832 /nfs/dbraw/zinc/98/08/32/582980832.db2.gz HIEXQZGTYZIVQN-WDEREUQCSA-N 0 0 199.294 2.462 10 30 AEEERN COCCCON=C(C)[C@H]1CC1(C)C 814931010 582980869 /nfs/dbraw/zinc/98/08/69/582980869.db2.gz CAWLLTBAZXPMQB-SNVBAGLBSA-N 0 0 199.294 2.462 10 30 AEEERN C=C(C)CNN=C1CCC[C@@H](C#N)C1 814932621 582980924 /nfs/dbraw/zinc/98/09/24/582980924.db2.gz MDDUPWXBPSCTTO-SNVBAGLBSA-N 0 0 191.278 2.222 10 30 AEEERN CC[C@H](C)CON=C[C@@H]1CCCOC1 814939187 582980931 /nfs/dbraw/zinc/98/09/31/582980931.db2.gz HIEXQZGTYZIVQN-QWRGUYRKSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@@H](C)CON=Cc1conc1C 814939369 582980942 /nfs/dbraw/zinc/98/09/42/582980942.db2.gz OAXVCDPJSSQJCF-MRVPVSSYSA-N 0 0 196.250 2.380 10 30 AEEERN C[C@@H](NN=Cc1cocn1)C(C)(C)C 814937607 582980965 /nfs/dbraw/zinc/98/09/65/582980965.db2.gz MGAXNBTZZVXDOG-MRVPVSSYSA-N 0 0 195.266 2.033 10 30 AEEERN CC(C)OC1CC(=NOCC2CC2)C1 814940863 582980975 /nfs/dbraw/zinc/98/09/75/582980975.db2.gz CQNYXNLTGUJUBB-UHFFFAOYSA-N 0 0 197.278 2.356 10 30 AEEERN COCCCON=C1CC[C@H]1C1CC1 814931352 582980978 /nfs/dbraw/zinc/98/09/78/582980978.db2.gz DWBSMYDRWMJYJR-JTQLQIEISA-N 0 0 197.278 2.216 10 30 AEEERN COCCCON=C1CC[C@H]1C(C)C 814931781 582980986 /nfs/dbraw/zinc/98/09/86/582980986.db2.gz QXFSKWYICXAURD-JTQLQIEISA-N 0 0 199.294 2.462 10 30 AEEERN CO[C@](C)(C=NOCC1CC1)C1CC1 814940884 582981107 /nfs/dbraw/zinc/98/11/07/582981107.db2.gz FCZNIUMSCHIQJQ-LLVKDONJSA-N 0 0 197.278 2.214 10 30 AEEERN COCCCON=C1CC(C(C)C)C1 814931350 582981144 /nfs/dbraw/zinc/98/11/44/582981144.db2.gz DRLHWHLNINDFTN-UHFFFAOYSA-N 0 0 199.294 2.462 10 30 AEEERN Cc1nocc1C=NOCCC1CC1 814941508 582981286 /nfs/dbraw/zinc/98/12/86/582981286.db2.gz KBNACMVMVLHJRJ-UHFFFAOYSA-N 0 0 194.234 2.134 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)CC1(C#N)CC1 816018187 582984554 /nfs/dbraw/zinc/98/45/54/582984554.db2.gz WFFKSQLRMXDZGG-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN CCC[C@H](C)OC(=O)CC1(C#N)CC1 815413372 582983594 /nfs/dbraw/zinc/98/35/94/582983594.db2.gz NYSHVNDUBTYIGJ-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN CCC[C@@H](C)OC(=O)CC1(C#N)CC1 815413371 582983645 /nfs/dbraw/zinc/98/36/45/582983645.db2.gz NYSHVNDUBTYIGJ-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN N#CC1(CC(=O)OC2CCCC2)CC1 815412053 582983675 /nfs/dbraw/zinc/98/36/75/582983675.db2.gz OEDCYIYVXSONRB-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN C=C(CC)COC(=O)CC1(C#N)CC1 815412848 582983685 /nfs/dbraw/zinc/98/36/85/582983685.db2.gz UDHYXRHMNRXBBS-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN N#CC1(CC(=O)OCCC2CC2)CC1 815411213 582983711 /nfs/dbraw/zinc/98/37/11/582983711.db2.gz IOBYTOGLUHYVTH-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN CCCCCOC(=O)CC1(C#N)CC1 815412099 582983798 /nfs/dbraw/zinc/98/37/98/582983798.db2.gz PTKUOWZLXMBWCC-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN N#CC1(CC(=O)OCC2CCC2)CC1 815412275 582983858 /nfs/dbraw/zinc/98/38/58/582983858.db2.gz WXCDJJGPFABVFI-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C=C(C)CCOC(=O)CC1(C#N)CC1 815411142 582983894 /nfs/dbraw/zinc/98/38/94/582983894.db2.gz GISGNRKHTXUWLZ-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C[C@@H](OC(=O)CC1(C#N)CC1)C1CC1 815922627 582984061 /nfs/dbraw/zinc/98/40/61/582984061.db2.gz VQSYNZTYERXDSD-MRVPVSSYSA-N 0 0 193.246 2.022 10 30 AEEERN CC1CC(OC(=O)CC2(C#N)CC2)C1 816093307 582984194 /nfs/dbraw/zinc/98/41/94/582984194.db2.gz JAIWJXYONPSSKA-UHFFFAOYSA-N 0 0 193.246 2.022 10 30 AEEERN C#C[C@H](C)OC(=O)CC(C)(C)C1CC1 815959941 582984217 /nfs/dbraw/zinc/98/42/17/582984217.db2.gz SSWCGMBQXLYIEQ-VIFPVBQESA-N 0 0 194.274 2.378 10 30 AEEERN C[C@H](OC(=O)CC1(C#N)CC1)C1CC1 815922628 582984232 /nfs/dbraw/zinc/98/42/32/582984232.db2.gz VQSYNZTYERXDSD-QMMMGPOBSA-N 0 0 193.246 2.022 10 30 AEEERN C=C[C@@H](CC)OC(=O)CC1(C#N)CC1 816005104 582984284 /nfs/dbraw/zinc/98/42/84/582984284.db2.gz ZPHNDNIBXNSLBH-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)[C@H](C)OC(=O)CC1(C#N)CC1 815984272 582984304 /nfs/dbraw/zinc/98/43/04/582984304.db2.gz IQXJKFTYAUTTER-VIFPVBQESA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@H](C)OC(=O)C(F)=C1CCCC1 815959645 582984306 /nfs/dbraw/zinc/98/43/06/582984306.db2.gz KQMTZCGSHZJRDP-QMMMGPOBSA-N 0 0 196.221 2.349 10 30 AEEERN C=C[C@@H](C)OC(=O)c1nc(C)oc1C 816032953 582984326 /nfs/dbraw/zinc/98/43/26/582984326.db2.gz VTMMKDXKFIVBSY-ZCFIWIBFSA-N 0 0 195.218 2.023 10 30 AEEERN C=C[C@H](CC)OC(=O)CC1(C#N)CC1 816005103 582984346 /nfs/dbraw/zinc/98/43/46/582984346.db2.gz ZPHNDNIBXNSLBH-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN CC/C=C/COC(=O)CC1(C#N)CC1 815918244 582984348 /nfs/dbraw/zinc/98/43/48/582984348.db2.gz JLSPQPRMIRWIFW-ONEGZZNKSA-N 0 0 193.246 2.190 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CC1(C#N)CC1 816018188 582984369 /nfs/dbraw/zinc/98/43/69/582984369.db2.gz WFFKSQLRMXDZGG-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN C=C[C@H](C)OC(=O)c1nc(C)oc1C 816032952 582984384 /nfs/dbraw/zinc/98/43/84/582984384.db2.gz VTMMKDXKFIVBSY-LURJTMIESA-N 0 0 195.218 2.023 10 30 AEEERN C#C[C@@H](C)OC(=O)C(F)=C1CCCC1 815959644 582984386 /nfs/dbraw/zinc/98/43/86/582984386.db2.gz KQMTZCGSHZJRDP-MRVPVSSYSA-N 0 0 196.221 2.349 10 30 AEEERN CC(C)(C)COC(=O)CC1(C#N)CC1 815933137 582984404 /nfs/dbraw/zinc/98/44/04/582984404.db2.gz BKHUZJKVYWYEST-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC/C=C\COC(=O)CC1(C#N)CC1 815918243 582984410 /nfs/dbraw/zinc/98/44/10/582984410.db2.gz JLSPQPRMIRWIFW-ARJAWSKDSA-N 0 0 193.246 2.190 10 30 AEEERN CC1(COC(=O)CC2(C#N)CC2)CC1 816057702 582984451 /nfs/dbraw/zinc/98/44/51/582984451.db2.gz LITKJKCGFKTCAY-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN CC(C)[C@@H](C)OC(=O)CC1(C#N)CC1 815984271 582984494 /nfs/dbraw/zinc/98/44/94/582984494.db2.gz IQXJKFTYAUTTER-SECBINFHSA-N 0 0 195.262 2.268 10 30 AEEERN CC1(OC(=O)CC2(C#N)CC2)CCC1 815976454 582984506 /nfs/dbraw/zinc/98/45/06/582984506.db2.gz MWAOTHLICWNWFI-UHFFFAOYSA-N 0 0 193.246 2.166 10 30 AEEERN C#C[C@@H](C)OC(=O)CC(C)(C)C1CC1 815959940 582984520 /nfs/dbraw/zinc/98/45/20/582984520.db2.gz SSWCGMBQXLYIEQ-SECBINFHSA-N 0 0 194.274 2.378 10 30 AEEERN CCC1(COC(=O)CCCC#N)CC1 816187691 582984858 /nfs/dbraw/zinc/98/48/58/582984858.db2.gz AAZXELVKLGZFHT-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C=CCCC(=O)OC[C@H]1CC1(F)F 816422892 582985377 /nfs/dbraw/zinc/98/53/77/582985377.db2.gz UIVFWFSHBWSLGJ-SSDOTTSWSA-N 0 0 190.189 2.151 10 30 AEEERN C=CCCC(=O)OC[C@@H]1CC1(F)F 816422893 582985410 /nfs/dbraw/zinc/98/54/10/582985410.db2.gz UIVFWFSHBWSLGJ-ZETCQYMHSA-N 0 0 190.189 2.151 10 30 AEEERN C=CC[N@H+](Cc1conc1C)C(C)C 816490581 582985910 /nfs/dbraw/zinc/98/59/10/582985910.db2.gz YMHDBGIHFVVTLE-UHFFFAOYSA-N 0 0 194.278 2.379 10 30 AEEERN CN(CCF)Cc1cc(C#N)cs1 816639985 582987611 /nfs/dbraw/zinc/98/76/11/582987611.db2.gz OBXWKPHPEFAOHU-UHFFFAOYSA-N 0 0 198.266 2.021 10 30 AEEERN C#CCCCCC(=O)N1CC[C@H]1CC 817063602 582992156 /nfs/dbraw/zinc/99/21/56/582992156.db2.gz ZMKRWBKFBXYQMT-LLVKDONJSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCCCCCC(=O)N[C@@H](C)CF 817118609 582992253 /nfs/dbraw/zinc/99/22/53/582992253.db2.gz QFEMAWUMSGRYLN-JTQLQIEISA-N 0 0 199.269 2.044 10 30 AEEERN C#CCCCCC(=O)N1CC[C@@H]1CC 817063603 582992391 /nfs/dbraw/zinc/99/23/91/582992391.db2.gz ZMKRWBKFBXYQMT-NSHDSACASA-N 0 0 193.290 2.191 10 30 AEEERN C=CCOC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 817200930 582992433 /nfs/dbraw/zinc/99/24/33/582992433.db2.gz KHVXKRCDZRSNRR-OPRDCNLKSA-N 0 0 180.247 2.152 10 30 AEEERN C=CCOC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 817200927 582992535 /nfs/dbraw/zinc/99/25/35/582992535.db2.gz KHVXKRCDZRSNRR-AEJSXWLSSA-N 0 0 180.247 2.152 10 30 AEEERN C=C(C)CCOC(=O)[C@H]1CC12CC2 817232420 582992847 /nfs/dbraw/zinc/99/28/47/582992847.db2.gz HTJNRKZDEYVHTG-SECBINFHSA-N 0 0 180.247 2.296 10 30 AEEERN C=CCCCOC(=O)[C@@H]1CC12CC2 817231749 582992905 /nfs/dbraw/zinc/99/29/05/582992905.db2.gz XIGWUBGESNRXBB-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN C=C(CC)COC(=O)[C@@H]1CC12CC2 817230908 582992929 /nfs/dbraw/zinc/99/29/29/582992929.db2.gz MZGGNRSCWQCLET-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN C=C(C)CCOC(=O)[C@@H]1CC12CC2 817232421 582993213 /nfs/dbraw/zinc/99/32/13/582993213.db2.gz HTJNRKZDEYVHTG-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN C=C(CC)COC(=O)[C@H]1CC12CC2 817230906 582993309 /nfs/dbraw/zinc/99/33/09/582993309.db2.gz MZGGNRSCWQCLET-SECBINFHSA-N 0 0 180.247 2.296 10 30 AEEERN C=CCCCOC(=O)[C@H]1CC12CC2 817231748 582993471 /nfs/dbraw/zinc/99/34/71/582993471.db2.gz XIGWUBGESNRXBB-SECBINFHSA-N 0 0 180.247 2.296 10 30 AEEERN CC#CC(=O)N[C@H]1CC[C@H](CC)CC1 817216730 582993483 /nfs/dbraw/zinc/99/34/83/582993483.db2.gz OWUHBROUJRJRNJ-XYPYZODXSA-N 0 0 193.290 2.095 10 30 AEEERN C=C(Cl)COC(=O)[C@H]1CC12CC2 817239107 582993756 /nfs/dbraw/zinc/99/37/56/582993756.db2.gz POMXSAUVTCEIKA-SSDOTTSWSA-N 0 0 186.638 2.082 10 30 AEEERN N#CCCCCOC(=O)[C@H]1CC12CC2 817235543 582993877 /nfs/dbraw/zinc/99/38/77/582993877.db2.gz KQEXXYKBCBPQAO-SECBINFHSA-N 0 0 193.246 2.024 10 30 AEEERN C=C(Cl)COC(=O)[C@@H]1CC12CC2 817239108 582993936 /nfs/dbraw/zinc/99/39/36/582993936.db2.gz POMXSAUVTCEIKA-ZETCQYMHSA-N 0 0 186.638 2.082 10 30 AEEERN N#CCCCCOC(=O)[C@@H]1CC12CC2 817235544 582994018 /nfs/dbraw/zinc/99/40/18/582994018.db2.gz KQEXXYKBCBPQAO-VIFPVBQESA-N 0 0 193.246 2.024 10 30 AEEERN CON=C(C)c1ccncc1Cl 817322665 582994254 /nfs/dbraw/zinc/99/42/54/582994254.db2.gz HECGUADVJFQTAA-UHFFFAOYSA-N 0 0 184.626 2.105 10 30 AEEERN C=C(C)COC(=O)[C@]1(C)CC1(F)F 817248654 582994298 /nfs/dbraw/zinc/99/42/98/582994298.db2.gz GRUQRMZXUXYKGW-QMMMGPOBSA-N 0 0 190.189 2.151 10 30 AEEERN C=C(C)COC(=O)[C@@]1(C)CC1(F)F 817248653 582994319 /nfs/dbraw/zinc/99/43/19/582994319.db2.gz GRUQRMZXUXYKGW-MRVPVSSYSA-N 0 0 190.189 2.151 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NOCC1CC1 817330781 582994763 /nfs/dbraw/zinc/99/47/63/582994763.db2.gz PYVJLHJZDYLUIC-VIFPVBQESA-N 0 0 197.278 2.047 10 30 AEEERN C#CCNN=C1CC2(CCCCC2)C1 817330698 582995006 /nfs/dbraw/zinc/99/50/06/582995006.db2.gz OZPLDULKXXITED-UHFFFAOYSA-N 0 0 190.290 2.310 10 30 AEEERN CC(C)ON=CCC(F)(F)F 817329995 582995028 /nfs/dbraw/zinc/99/50/28/582995028.db2.gz HMLLLOCQRCVSBY-UHFFFAOYSA-N 0 0 169.146 2.350 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NOCC1CC1 817330780 582995113 /nfs/dbraw/zinc/99/51/13/582995113.db2.gz PYVJLHJZDYLUIC-SECBINFHSA-N 0 0 197.278 2.047 10 30 AEEERN C=CCON=CCC(F)(F)F 817329793 582995357 /nfs/dbraw/zinc/99/53/57/582995357.db2.gz FQVZSAVAJFNDGS-UHFFFAOYSA-N 0 0 167.130 2.127 10 30 AEEERN C=CCN(C(=O)[C@H]1CC12CC2)C(C)C 817427885 582995752 /nfs/dbraw/zinc/99/57/52/582995752.db2.gz SGCUQWXUANONQL-SNVBAGLBSA-N 0 0 193.290 2.210 10 30 AEEERN C=CCN(C(=O)[C@@H]1CC12CC2)C(C)C 817427884 582997344 /nfs/dbraw/zinc/99/73/44/582997344.db2.gz SGCUQWXUANONQL-JTQLQIEISA-N 0 0 193.290 2.210 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@]1(C)CC1(F)F 817730047 582997856 /nfs/dbraw/zinc/99/78/56/582997856.db2.gz HBSMKMOGTOGBML-SVRRBLITSA-N 0 0 190.189 2.149 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H]1CC12CC2 817726209 582997864 /nfs/dbraw/zinc/99/78/64/582997864.db2.gz YJDPAFMFZZHQBF-IUCAKERBSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H]1CC12CC2 817726210 582997881 /nfs/dbraw/zinc/99/78/81/582997881.db2.gz YJDPAFMFZZHQBF-RKDXNWHRSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@]1(C)CC1(F)F 817730045 582997950 /nfs/dbraw/zinc/99/79/50/582997950.db2.gz HBSMKMOGTOGBML-HTRCEHHLSA-N 0 0 190.189 2.149 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H]1CC12CC2 817728620 582997963 /nfs/dbraw/zinc/99/79/63/582997963.db2.gz PGZSKXAEAZTIMD-DTWKUNHWSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@H](C)OC(=O)[C@]1(C)CC1(F)F 817730048 582997977 /nfs/dbraw/zinc/99/79/77/582997977.db2.gz HBSMKMOGTOGBML-XPUUQOCRSA-N 0 0 190.189 2.149 10 30 AEEERN C#CCC[C@H](C)OC(=O)[C@@H]1CC12CC2 817741911 582998063 /nfs/dbraw/zinc/99/80/63/582998063.db2.gz UUXGIOVRQOGTIX-UWVGGRQHSA-N 0 0 192.258 2.132 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CC12CC2 817728621 582998083 /nfs/dbraw/zinc/99/80/83/582998083.db2.gz PGZSKXAEAZTIMD-IUCAKERBSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@H]1CC12CC2 817728622 582998143 /nfs/dbraw/zinc/99/81/43/582998143.db2.gz PGZSKXAEAZTIMD-RKDXNWHRSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@]1(C)CC1(F)F 817730046 582998159 /nfs/dbraw/zinc/99/81/59/582998159.db2.gz HBSMKMOGTOGBML-POYBYMJQSA-N 0 0 190.189 2.149 10 30 AEEERN C#CCC[C@@H](C)OC(=O)[C@H]1CC12CC2 817741908 582998188 /nfs/dbraw/zinc/99/81/88/582998188.db2.gz UUXGIOVRQOGTIX-NXEZZACHSA-N 0 0 192.258 2.132 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H]1CC12CC2 817726208 582998396 /nfs/dbraw/zinc/99/83/96/582998396.db2.gz YJDPAFMFZZHQBF-DTWKUNHWSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1CC12CC2 817728618 582998408 /nfs/dbraw/zinc/99/84/08/582998408.db2.gz PGZSKXAEAZTIMD-BDAKNGLRSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H]1CC12CC2 817726207 582998448 /nfs/dbraw/zinc/99/84/48/582998448.db2.gz YJDPAFMFZZHQBF-BDAKNGLRSA-N 0 0 180.247 2.294 10 30 AEEERN C=CCCCC(=O)NCC[C@@H](C)F 818297273 583005971 /nfs/dbraw/zinc/00/59/71/583005971.db2.gz IFQGAQFYWIUTBT-SECBINFHSA-N 0 0 187.258 2.207 10 30 AEEERN C=CCCCC(=O)NCC[C@H](C)F 818297274 583006467 /nfs/dbraw/zinc/00/64/67/583006467.db2.gz IFQGAQFYWIUTBT-VIFPVBQESA-N 0 0 187.258 2.207 10 30 AEEERN C=CCCCC(=O)N1C[C@@H](C)[C@@H]1C 818468220 583007481 /nfs/dbraw/zinc/00/74/81/583007481.db2.gz YZTBFWVESVKOJD-ZJUUUORDSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCCC(=O)N1C[C@H](C)[C@@H]1C 818468218 583007558 /nfs/dbraw/zinc/00/75/58/583007558.db2.gz YZTBFWVESVKOJD-UWVGGRQHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCCC(=O)N1C[C@H](C)[C@H]1C 818468219 583007847 /nfs/dbraw/zinc/00/78/47/583007847.db2.gz YZTBFWVESVKOJD-VHSXEESVSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCCC(=O)N1C[C@@H](C)[C@H]1C 818468217 583008211 /nfs/dbraw/zinc/00/82/11/583008211.db2.gz YZTBFWVESVKOJD-NXEZZACHSA-N 0 0 181.279 2.210 10 30 AEEERN CC#CCN(C)C(=O)/C(C)=C(\C)CC 819249263 583011496 /nfs/dbraw/zinc/01/14/96/583011496.db2.gz GSKQBYVUIOUFAM-ZHACJKMWSA-N 0 0 193.290 2.215 10 30 AEEERN CC#CCN(C)C(=O)/C(C)=C(/C)CC 819249262 583011546 /nfs/dbraw/zinc/01/15/46/583011546.db2.gz GSKQBYVUIOUFAM-KHPPLWFESA-N 0 0 193.290 2.215 10 30 AEEERN CC#CCN(C)C(=O)/C=C/C(C)(C)C 819249358 583011615 /nfs/dbraw/zinc/01/16/15/583011615.db2.gz KHEMSPLUKTVVQS-CMDGGOBGSA-N 0 0 193.290 2.070 10 30 AEEERN CC#CCN(C)C(=O)/C=C\C(C)(C)C 819249359 583011643 /nfs/dbraw/zinc/01/16/43/583011643.db2.gz KHEMSPLUKTVVQS-HJWRWDBZSA-N 0 0 193.290 2.070 10 30 AEEERN C=CC[C@@H](C)NC(=O)C(F)=C1CCC1 819295544 583012061 /nfs/dbraw/zinc/01/20/61/583012061.db2.gz VLHACJDRVUQIRJ-MRVPVSSYSA-N 0 0 197.253 2.475 10 30 AEEERN C=CC[C@H](C)NC(=O)C(F)=C1CCC1 819295545 583012067 /nfs/dbraw/zinc/01/20/67/583012067.db2.gz VLHACJDRVUQIRJ-QMMMGPOBSA-N 0 0 197.253 2.475 10 30 AEEERN C=C(C)CCNC(=O)C(F)=C1CCC1 819557146 583012593 /nfs/dbraw/zinc/01/25/93/583012593.db2.gz YKZYJPZJYNPBLJ-UHFFFAOYSA-N 0 0 197.253 2.476 10 30 AEEERN C=CCCCNC(=O)C(F)=C1CCC1 819516165 583012969 /nfs/dbraw/zinc/01/29/69/583012969.db2.gz SWBCNZKXDGNXCN-UHFFFAOYSA-N 0 0 197.253 2.476 10 30 AEEERN C=CCCN(C)C(=O)C(F)=C1CCC1 819508954 583012809 /nfs/dbraw/zinc/01/28/09/583012809.db2.gz VBCOJDLNGIXXPS-UHFFFAOYSA-N 0 0 197.253 2.428 10 30 AEEERN C=C(CC)CNC(=O)C(F)=C1CCC1 819561123 583013117 /nfs/dbraw/zinc/01/31/17/583013117.db2.gz XVWOREGVNDIAHG-UHFFFAOYSA-N 0 0 197.253 2.476 10 30 AEEERN C=CCCCC(=O)N[C@@H]1CC12CC2 819626228 583013448 /nfs/dbraw/zinc/01/34/48/583013448.db2.gz VALOISNNPDGXGC-SECBINFHSA-N 0 0 179.263 2.011 10 30 AEEERN C=CCCCC(=O)N[C@H]1CC12CC2 819626229 583013790 /nfs/dbraw/zinc/01/37/90/583013790.db2.gz VALOISNNPDGXGC-VIFPVBQESA-N 0 0 179.263 2.011 10 30 AEEERN CS[C@H]1CCC1=NNC1CCCC1 819807254 583014883 /nfs/dbraw/zinc/01/48/83/583014883.db2.gz DELKUGAGDNBJGK-JTQLQIEISA-N 0 0 198.335 2.400 10 30 AEEERN C=C(C)CNN=C1CC[C@@H]1SC 819813991 583014963 /nfs/dbraw/zinc/01/49/63/583014963.db2.gz WJNUALGUJNBRFU-VIFPVBQESA-N 0 0 184.308 2.034 10 30 AEEERN CS[C@@H]1CCC1=NNC1CCCC1 819807255 583015026 /nfs/dbraw/zinc/01/50/26/583015026.db2.gz DELKUGAGDNBJGK-SNVBAGLBSA-N 0 0 198.335 2.400 10 30 AEEERN CC[C@@H](C)NN=C1CC[C@@H]1SC 819809217 583015088 /nfs/dbraw/zinc/01/50/88/583015088.db2.gz CEFOHZANWATESL-APPZFPTMSA-N 0 0 186.324 2.256 10 30 AEEERN C=C(C)CNN=C1CC[C@H]1SC 819813984 583015243 /nfs/dbraw/zinc/01/52/43/583015243.db2.gz WJNUALGUJNBRFU-SECBINFHSA-N 0 0 184.308 2.034 10 30 AEEERN CCON=C1C[C@H]2C[C@@H](OC)C[C@H]2C1 819803116 583015315 /nfs/dbraw/zinc/01/53/15/583015315.db2.gz INTJXKBSQLNBJM-JZYVYDRUSA-N 0 0 197.278 2.214 10 30 AEEERN CCCCNN=C1CC[C@H]1SC 819806697 583015334 /nfs/dbraw/zinc/01/53/34/583015334.db2.gz XWRMDWBYVZDIJL-SECBINFHSA-N 0 0 186.324 2.258 10 30 AEEERN CCCCNN=C1CC[C@@H]1SC 819806698 583015453 /nfs/dbraw/zinc/01/54/53/583015453.db2.gz XWRMDWBYVZDIJL-VIFPVBQESA-N 0 0 186.324 2.258 10 30 AEEERN CC[C@H](C)NN=C1CC[C@@H]1SC 819809218 583015473 /nfs/dbraw/zinc/01/54/73/583015473.db2.gz CEFOHZANWATESL-CBAPKCEASA-N 0 0 186.324 2.256 10 30 AEEERN C=CCCCC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 819795516 583015520 /nfs/dbraw/zinc/01/55/20/583015520.db2.gz LJQLIMABZQCXMT-JGPRNRPPSA-N 0 0 193.290 2.257 10 30 AEEERN CS[C@H]1CCC1=NOC1CCC1 819813276 583015741 /nfs/dbraw/zinc/01/57/41/583015741.db2.gz LVVABCBVRWGLMN-VIFPVBQESA-N 0 0 185.292 2.437 10 30 AEEERN C=CCOC(=O)C(F)=C1CCC1 819948351 583015743 /nfs/dbraw/zinc/01/57/43/583015743.db2.gz DFZQSVVSOUVSON-UHFFFAOYSA-N 0 0 170.183 2.123 10 30 AEEERN CS[C@@H]1CCC1=NOCC1CC1 819814211 583015841 /nfs/dbraw/zinc/01/58/41/583015841.db2.gz YZTZQYDJGDIATA-SECBINFHSA-N 0 0 185.292 2.294 10 30 AEEERN CC[C@H](C)NN=C1CC[C@H]1SC 819809219 583015881 /nfs/dbraw/zinc/01/58/81/583015881.db2.gz CEFOHZANWATESL-IONNQARKSA-N 0 0 186.324 2.256 10 30 AEEERN CS[C@H]1CCC1=NOC(C)C 819813813 583015904 /nfs/dbraw/zinc/01/59/04/583015904.db2.gz SDYWNWINUXNWBL-QMMMGPOBSA-N 0 0 173.281 2.293 10 30 AEEERN CS[C@@H]1CCC1=NOC1CCC1 819813275 583015912 /nfs/dbraw/zinc/01/59/12/583015912.db2.gz LVVABCBVRWGLMN-SECBINFHSA-N 0 0 185.292 2.437 10 30 AEEERN CC[C@@H](C)NN=C1CC[C@H]1SC 819809220 583016086 /nfs/dbraw/zinc/01/60/86/583016086.db2.gz CEFOHZANWATESL-VXNVDRBHSA-N 0 0 186.324 2.256 10 30 AEEERN CS[C@H]1CCC1=NNCC(C)C 819812199 583016182 /nfs/dbraw/zinc/01/61/82/583016182.db2.gz KKMLWQDGFJGBMU-VIFPVBQESA-N 0 0 186.324 2.113 10 30 AEEERN CS[C@H]1CCC1=NOCC1CC1 819814212 583016322 /nfs/dbraw/zinc/01/63/22/583016322.db2.gz YZTZQYDJGDIATA-VIFPVBQESA-N 0 0 185.292 2.294 10 30 AEEERN CS[C@@H]1CCC1=NNCC(C)C 819812198 583016326 /nfs/dbraw/zinc/01/63/26/583016326.db2.gz KKMLWQDGFJGBMU-SECBINFHSA-N 0 0 186.324 2.113 10 30 AEEERN C#CCCCOC(=O)C(F)=C1CCC1 819952462 583016362 /nfs/dbraw/zinc/01/63/62/583016362.db2.gz GPCRNTNKCOSEPS-UHFFFAOYSA-N 0 0 196.221 2.351 10 30 AEEERN CS[C@@H]1CCC1=NOC(C)C 819813803 583016403 /nfs/dbraw/zinc/01/64/03/583016403.db2.gz SDYWNWINUXNWBL-MRVPVSSYSA-N 0 0 173.281 2.293 10 30 AEEERN C=C(C)C(C)(C)C(=O)OCC(F)F 819957237 583016872 /nfs/dbraw/zinc/01/68/72/583016872.db2.gz GIHAFWYBEXDQPM-UHFFFAOYSA-N 0 0 192.205 2.397 10 30 AEEERN C#CC(C)(C)NC(=O)CC(C)=C(C)C 819971239 583016925 /nfs/dbraw/zinc/01/69/25/583016925.db2.gz FWTFJMKQIAROON-UHFFFAOYSA-N 0 0 193.290 2.261 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCCC[C@H]1C 819953673 583017061 /nfs/dbraw/zinc/01/70/61/583017061.db2.gz FAGBHIQLYDBFIR-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)[C@H]1CCCC[C@H]1C 819953674 583017093 /nfs/dbraw/zinc/01/70/93/583017093.db2.gz FAGBHIQLYDBFIR-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN CCCCCCNC(=O)[C@@H](C)CC#N 820527544 583022485 /nfs/dbraw/zinc/02/24/85/583022485.db2.gz MJRCGTYKEZHZAN-JTQLQIEISA-N 0 0 196.294 2.233 10 30 AEEERN C=C(C)C(C)(C)C(=O)O[C@@H](C)CC#N 820062749 583017190 /nfs/dbraw/zinc/01/71/90/583017190.db2.gz GHEUFGSXNMJHPJ-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCCC[C@@H]1C 819953676 583017194 /nfs/dbraw/zinc/01/71/94/583017194.db2.gz FAGBHIQLYDBFIR-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)[C@H]1CCCC[C@@H]1C 819953675 583017290 /nfs/dbraw/zinc/01/72/90/583017290.db2.gz FAGBHIQLYDBFIR-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C=C(C)C(C)(C)C(=O)O[C@H](C)CC#N 820062748 583017316 /nfs/dbraw/zinc/01/73/16/583017316.db2.gz GHEUFGSXNMJHPJ-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN CC[C@@H](C#N)OC(=O)C(F)=C1CCC1 820228529 583019022 /nfs/dbraw/zinc/01/90/22/583019022.db2.gz YMECRUQAXWBQRN-QMMMGPOBSA-N 0 0 197.209 2.239 10 30 AEEERN CC[C@H](C#N)OC(=O)C(F)=C1CCC1 820228528 583019221 /nfs/dbraw/zinc/01/92/21/583019221.db2.gz YMECRUQAXWBQRN-MRVPVSSYSA-N 0 0 197.209 2.239 10 30 AEEERN C#CCCCNC(=O)CC(C)=C(C)C 820347056 583019762 /nfs/dbraw/zinc/01/97/62/583019762.db2.gz STOLNUJWDVEXHU-UHFFFAOYSA-N 0 0 193.290 2.262 10 30 AEEERN N#CCCCOC(=O)C(F)=C1CCC1 820475379 583021581 /nfs/dbraw/zinc/02/15/81/583021581.db2.gz OUUWGWJJLSFZNP-UHFFFAOYSA-N 0 0 197.209 2.241 10 30 AEEERN C=C[C@@H](CC)CC(=O)N[C@@H](C)CF 820428377 583021824 /nfs/dbraw/zinc/02/18/24/583021824.db2.gz LMMDRXOKYGRKQT-IUCAKERBSA-N 0 0 187.258 2.063 10 30 AEEERN C=C[C@H](CC)CC(=O)N[C@@H](C)CF 820428370 583021894 /nfs/dbraw/zinc/02/18/94/583021894.db2.gz LMMDRXOKYGRKQT-DTWKUNHWSA-N 0 0 187.258 2.063 10 30 AEEERN CC#CCCOC(=O)C(F)=C1CCC1 820565203 583022465 /nfs/dbraw/zinc/02/24/65/583022465.db2.gz XREBLXCHZYGYHR-UHFFFAOYSA-N 0 0 196.221 2.351 10 30 AEEERN CC(C)C#CC(=O)N(C)C1CCCC1 820489490 583022735 /nfs/dbraw/zinc/02/27/35/583022735.db2.gz GFNNKPCGDSPQTL-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN CCCCCCNC(=O)[C@H](C)CC#N 820527545 583022837 /nfs/dbraw/zinc/02/28/37/583022837.db2.gz MJRCGTYKEZHZAN-SNVBAGLBSA-N 0 0 196.294 2.233 10 30 AEEERN C#C[C@H](CC)OC(=O)C(F)=C1CCC1 820638712 583023134 /nfs/dbraw/zinc/02/31/34/583023134.db2.gz MRISCKPLLWJIFG-SECBINFHSA-N 0 0 196.221 2.349 10 30 AEEERN C#C[C@@H](CC)OC(=O)C(F)=C1CCC1 820638713 583023386 /nfs/dbraw/zinc/02/33/86/583023386.db2.gz MRISCKPLLWJIFG-VIFPVBQESA-N 0 0 196.221 2.349 10 30 AEEERN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H]1C 820649002 583023889 /nfs/dbraw/zinc/02/38/89/583023889.db2.gz CCMOTTPYOPBHIK-GMTAPVOTSA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@H]1C 820649003 583024296 /nfs/dbraw/zinc/02/42/96/583024296.db2.gz CCMOTTPYOPBHIK-HBNTYKKESA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@@H]1C 820649005 583024401 /nfs/dbraw/zinc/02/44/01/583024401.db2.gz CCMOTTPYOPBHIK-OUAUKWLOSA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@@H]1C 820649000 583024457 /nfs/dbraw/zinc/02/44/57/583024457.db2.gz CCMOTTPYOPBHIK-GARJFASQSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)C(C)(C)C(=O)OC1CC1 820729816 583025313 /nfs/dbraw/zinc/02/53/13/583025313.db2.gz DAUUCZKVJKQLKR-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@H]1CCCC[C@@H]1C(=O)O[C@H](C)C#N 820930817 583025719 /nfs/dbraw/zinc/02/57/19/583025719.db2.gz DJHLEVWDAHAZEE-AEJSXWLSSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](C#N)OC(=O)[C@@H]1CCCC[C@H]1C 820930827 583025920 /nfs/dbraw/zinc/02/59/20/583025920.db2.gz DJHLEVWDAHAZEE-OPRDCNLKSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H]1CCCC[C@H]1C(=O)O[C@H](C)C#N 820930826 583026110 /nfs/dbraw/zinc/02/61/10/583026110.db2.gz DJHLEVWDAHAZEE-IVZWLZJFSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](C#N)OC(=O)[C@H]1CCCC[C@H]1C 820930825 583026420 /nfs/dbraw/zinc/02/64/20/583026420.db2.gz DJHLEVWDAHAZEE-BBBLOLIVSA-N 0 0 195.262 2.268 10 30 AEEERN CCN(CC(C)C)C(=O)C#CC(C)C 821340771 583028128 /nfs/dbraw/zinc/02/81/28/583028128.db2.gz DAZNGPQPHSWHGR-UHFFFAOYSA-N 0 0 195.306 2.150 10 30 AEEERN C=C(C)CCNC(=O)[C@@]1(C)C=CCC1 821412974 583029927 /nfs/dbraw/zinc/02/99/27/583029927.db2.gz TWNVFWGSFOXMBD-LBPRGKRZSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)CCNC(=O)C1(C)CC=CC1 821412675 583030114 /nfs/dbraw/zinc/03/01/14/583030114.db2.gz QXBREODYOOCOFP-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)C(C)(C)C(=O)OCC(=O)CC 821447431 583030400 /nfs/dbraw/zinc/03/04/00/583030400.db2.gz GGTWNLUTKKABPN-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN C=C(C)C(C)(C)C(=O)O[C@H](C)C(C)=O 821444215 583030497 /nfs/dbraw/zinc/03/04/97/583030497.db2.gz FWRYQXHRQJWXDT-SECBINFHSA-N 0 0 198.262 2.109 10 30 AEEERN C=C(C)CCNC(=O)[C@]1(C)C=CCC1 821412970 583030559 /nfs/dbraw/zinc/03/05/59/583030559.db2.gz TWNVFWGSFOXMBD-GFCCVEGCSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)C(C)(C)C(=O)O[C@@H](C)C(C)=O 821444222 583030591 /nfs/dbraw/zinc/03/05/91/583030591.db2.gz FWRYQXHRQJWXDT-VIFPVBQESA-N 0 0 198.262 2.109 10 30 AEEERN C#C[C@H](OC(=O)CC)c1ccccc1 821611314 583030969 /nfs/dbraw/zinc/03/09/69/583030969.db2.gz ACBCDGBUXPBONT-NSHDSACASA-N 0 0 188.226 2.314 10 30 AEEERN C=C(CC)CNC(=O)[C@]1(C)C=CCC1 822013141 583032593 /nfs/dbraw/zinc/03/25/93/583032593.db2.gz VSSRTTYFWYPUST-GFCCVEGCSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(CC)CNC(=O)C1(C)CC=CC1 822012383 583032966 /nfs/dbraw/zinc/03/29/66/583032966.db2.gz NNGGXSXGJGALPQ-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(CC)CNC(=O)[C@@]1(C)C=CCC1 822013142 583032976 /nfs/dbraw/zinc/03/29/76/583032976.db2.gz VSSRTTYFWYPUST-LBPRGKRZSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCONC(=O)C1(CCCC)CC1 821891699 583033170 /nfs/dbraw/zinc/03/31/70/583033170.db2.gz LWWHHFWSDCBSSO-UHFFFAOYSA-N 0 0 197.278 2.191 10 30 AEEERN C#C[C@@H](CC)NC(=O)CC(C)=C(C)C 822406286 583035413 /nfs/dbraw/zinc/03/54/13/583035413.db2.gz FCAAGRPDSHKIIC-NSHDSACASA-N 0 0 193.290 2.261 10 30 AEEERN C#C[C@H](CC)NC(=O)CC(C)=C(C)C 822406285 583035431 /nfs/dbraw/zinc/03/54/31/583035431.db2.gz FCAAGRPDSHKIIC-LLVKDONJSA-N 0 0 193.290 2.261 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CC(C)=C(C)C 822473240 583035848 /nfs/dbraw/zinc/03/58/48/583035848.db2.gz VAANIPCTUJZIKO-NSHDSACASA-N 0 0 193.290 2.213 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CC(C)=C(C)C 822473239 583036414 /nfs/dbraw/zinc/03/64/14/583036414.db2.gz VAANIPCTUJZIKO-LLVKDONJSA-N 0 0 193.290 2.213 10 30 AEEERN C#CCN(CC)C(=O)CCCC(C)C 822739377 583036664 /nfs/dbraw/zinc/03/66/64/583036664.db2.gz VSLZQPLCDQLFFR-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN CC/C(C)=C/C(=O)N[C@@](C)(C#N)CC 822912527 583037949 /nfs/dbraw/zinc/03/79/49/583037949.db2.gz CIIBXNPRHXEGDL-MXMFLMJRSA-N 0 0 194.278 2.151 10 30 AEEERN CC/C(C)=C\C(=O)N[C@@](C)(C#N)CC 822912526 583037977 /nfs/dbraw/zinc/03/79/77/583037977.db2.gz CIIBXNPRHXEGDL-GXMKHXEJSA-N 0 0 194.278 2.151 10 30 AEEERN CC/C(C)=C\C(=O)N[C@](C)(C#N)CC 822912525 583038077 /nfs/dbraw/zinc/03/80/77/583038077.db2.gz CIIBXNPRHXEGDL-DVBBHNHCSA-N 0 0 194.278 2.151 10 30 AEEERN CC/C(C)=C/C(=O)N[C@](C)(C#N)CC 822912524 583038125 /nfs/dbraw/zinc/03/81/25/583038125.db2.gz CIIBXNPRHXEGDL-DJYGCBNOSA-N 0 0 194.278 2.151 10 30 AEEERN C#CC(C)(C)NC(=O)CCCC(C)C 823324447 583040642 /nfs/dbraw/zinc/04/06/42/583040642.db2.gz JLQSBJSBIATYCX-UHFFFAOYSA-N 0 0 195.306 2.341 10 30 AEEERN C=CCN(C(=O)[C@@H]1C[C@H]1CC)C(C)C 823096700 583038646 /nfs/dbraw/zinc/03/86/46/583038646.db2.gz IRQONIFWKSVVGW-GHMZBOCLSA-N 0 0 195.306 2.456 10 30 AEEERN C#CCN1CCCc2cccc(F)c21 823090020 583038936 /nfs/dbraw/zinc/03/89/36/583038936.db2.gz FMTCOTBGQNTAFX-UHFFFAOYSA-N 0 0 189.233 2.212 10 30 AEEERN C=C(Cl)CN1Cc2cccnc2C1 823011832 583039033 /nfs/dbraw/zinc/03/90/33/583039033.db2.gz KZXNAMYOYYHEOR-UHFFFAOYSA-N 0 0 194.665 2.150 10 30 AEEERN C=C[C@H](CC)CC(=O)N[C@@H]1CC12CC2 823225828 583039564 /nfs/dbraw/zinc/03/95/64/583039564.db2.gz ILHPRZDKAJOVNI-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@@H](CC)CC(=O)N[C@H]1CC12CC2 823225832 583039567 /nfs/dbraw/zinc/03/95/67/583039567.db2.gz ILHPRZDKAJOVNI-UWVGGRQHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@H](CC)CC(=O)N[C@H]1CC12CC2 823225835 583039581 /nfs/dbraw/zinc/03/95/81/583039581.db2.gz ILHPRZDKAJOVNI-ZJUUUORDSA-N 0 0 193.290 2.257 10 30 AEEERN CC/C(C)=C/C(=O)N[C@@H](C#N)C(C)C 823208166 583039584 /nfs/dbraw/zinc/03/95/84/583039584.db2.gz CQKXGRATWONDAA-ZKXNXJMVSA-N 0 0 194.278 2.007 10 30 AEEERN C=CCN(C)c1nc(CC)cs1 823208105 583039591 /nfs/dbraw/zinc/03/95/91/583039591.db2.gz AJARGYYWBSOIGY-UHFFFAOYSA-N 0 0 182.292 2.328 10 30 AEEERN CC/C(C)=C\C(=O)N[C@@H](C#N)C(C)C 823208164 583039604 /nfs/dbraw/zinc/03/96/04/583039604.db2.gz CQKXGRATWONDAA-MBACFSSFSA-N 0 0 194.278 2.007 10 30 AEEERN CC/C(C)=C\C(=O)N[C@H](C#N)C(C)C 823208163 583039608 /nfs/dbraw/zinc/03/96/08/583039608.db2.gz CQKXGRATWONDAA-ABRRARGCSA-N 0 0 194.278 2.007 10 30 AEEERN CC/C(C)=C/C(=O)N[C@H](C#N)C(C)C 823208165 583039697 /nfs/dbraw/zinc/03/96/97/583039697.db2.gz CQKXGRATWONDAA-OLKPEBQYSA-N 0 0 194.278 2.007 10 30 AEEERN C=C[C@@H](CC)CC(=O)N[C@@H]1CC12CC2 823225833 583039700 /nfs/dbraw/zinc/03/97/00/583039700.db2.gz ILHPRZDKAJOVNI-VHSXEESVSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCC1(C(=O)N(C)OC)CCCC1 823560038 583041090 /nfs/dbraw/zinc/04/10/90/583041090.db2.gz FDZFATCAIMEQBY-UHFFFAOYSA-N 0 0 197.278 2.143 10 30 AEEERN C=C(C)CONC(=O)CC(C)=C(C)C 824224527 583043672 /nfs/dbraw/zinc/04/36/72/583043672.db2.gz FTFVYIYBKYHECG-UHFFFAOYSA-N 0 0 197.278 2.357 10 30 AEEERN C=C[C@@H](C)ONC(=O)CC(C)=C(C)C 824233362 583044139 /nfs/dbraw/zinc/04/41/39/583044139.db2.gz SWDQYBFOXRKTRD-SNVBAGLBSA-N 0 0 197.278 2.355 10 30 AEEERN C=C[C@H](C)ONC(=O)CC(C)=C(C)C 824233361 583044164 /nfs/dbraw/zinc/04/41/64/583044164.db2.gz SWDQYBFOXRKTRD-JTQLQIEISA-N 0 0 197.278 2.355 10 30 AEEERN C=CCCONC(=O)CC(C)=C(C)C 824652441 583045921 /nfs/dbraw/zinc/04/59/21/583045921.db2.gz BUCHBAMSYIGSKX-UHFFFAOYSA-N 0 0 197.278 2.357 10 30 AEEERN C=C1CN(C(=O)C2(CCCC)CC2)C1 825129110 583046823 /nfs/dbraw/zinc/04/68/23/583046823.db2.gz DWZXSLOFMZUUGS-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C1CN(C(=O)C[C@@H]2CC=CCC2)C1 825129285 583047405 /nfs/dbraw/zinc/04/74/05/583047405.db2.gz JZSHYMODFVIGCY-LLVKDONJSA-N 0 0 191.274 2.131 10 30 AEEERN C=C1CN(C(=O)C[C@H]2CC=CCC2)C1 825129286 583047426 /nfs/dbraw/zinc/04/74/26/583047426.db2.gz JZSHYMODFVIGCY-NSHDSACASA-N 0 0 191.274 2.131 10 30 AEEERN C=C(Cl)CNC(=O)/C=C(/C)CC 826076636 583050238 /nfs/dbraw/zinc/05/02/38/583050238.db2.gz HFIYTTVSBFHKOV-ALCCZGGFSA-N 0 0 187.670 2.211 10 30 AEEERN C=CC[C@@H](C)NC(=O)/C=C(\C)CC 826022696 583050252 /nfs/dbraw/zinc/05/02/52/583050252.db2.gz GJUZAKRGRPZKPJ-AAXQSMANSA-N 0 0 181.279 2.424 10 30 AEEERN C=CCN(C(=O)C#CC(C)C)C(C)C 826070670 583050560 /nfs/dbraw/zinc/05/05/60/583050560.db2.gz BIYLREPBCNNIIW-UHFFFAOYSA-N 0 0 193.290 2.069 10 30 AEEERN C=CC[C@H](C)NC(=O)/C=C(\C)CC 826022697 583050645 /nfs/dbraw/zinc/05/06/45/583050645.db2.gz GJUZAKRGRPZKPJ-DDXVTDLHSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC[C@H](C)NC(=O)/C=C(/C)CC 826022699 583050667 /nfs/dbraw/zinc/05/06/67/583050667.db2.gz GJUZAKRGRPZKPJ-QROTZFDESA-N 0 0 181.279 2.424 10 30 AEEERN CC(C)C#CC(=O)N1CCCC1(C)C 825928521 583050668 /nfs/dbraw/zinc/05/06/68/583050668.db2.gz XVRUKKKAOWUSIN-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C=C(Cl)CNC(=O)/C=C(\C)CC 826076637 583050764 /nfs/dbraw/zinc/05/07/64/583050764.db2.gz HFIYTTVSBFHKOV-FNORWQNLSA-N 0 0 187.670 2.211 10 30 AEEERN C=CC[C@@H](C)NC(=O)/C=C(/C)CC 826022698 583050905 /nfs/dbraw/zinc/05/09/05/583050905.db2.gz GJUZAKRGRPZKPJ-HSTULFTRSA-N 0 0 181.279 2.424 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1C[C@H]2C[C@H]2C1 827049818 583052780 /nfs/dbraw/zinc/05/27/80/583052780.db2.gz ACZPDEARWXZCGZ-GARJFASQSA-N 0 0 193.290 2.067 10 30 AEEERN C=C[C@H](CC)CC(=O)N1C[C@H]2C[C@H]2C1 827049827 583052923 /nfs/dbraw/zinc/05/29/23/583052923.db2.gz ACZPDEARWXZCGZ-MXWKQRLJSA-N 0 0 193.290 2.067 10 30 AEEERN C=C[C@@H](C)NC(=O)C(C)=C1CCC1 827022366 583053008 /nfs/dbraw/zinc/05/30/08/583053008.db2.gz FPRWBENQQQMZKV-MRVPVSSYSA-N 0 0 179.263 2.178 10 30 AEEERN C=C[C@H](C)NC(=O)C(C)=C1CCC1 827022367 583053021 /nfs/dbraw/zinc/05/30/21/583053021.db2.gz FPRWBENQQQMZKV-QMMMGPOBSA-N 0 0 179.263 2.178 10 30 AEEERN C=C[C@H](CC)CC(=O)NC/C=C/C 827493829 583054602 /nfs/dbraw/zinc/05/46/02/583054602.db2.gz XCQFRPBOAQWIOH-LJJSCBMDSA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@@H](CC)CC(=O)NC/C=C\C 827493831 583054660 /nfs/dbraw/zinc/05/46/60/583054660.db2.gz XCQFRPBOAQWIOH-VAWSOJLPSA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@H](CC)CC(=O)NC/C=C\C 827493828 583054689 /nfs/dbraw/zinc/05/46/89/583054689.db2.gz XCQFRPBOAQWIOH-ISGFRBBESA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@@H](CC)CC(=O)NC/C=C/C 827493830 583054784 /nfs/dbraw/zinc/05/47/84/583054784.db2.gz XCQFRPBOAQWIOH-QBBOHKLWSA-N 0 0 181.279 2.281 10 30 AEEERN CCC(C)(CC)NC(=O)C#CC(C)C 827602636 583055300 /nfs/dbraw/zinc/05/53/00/583055300.db2.gz SHOOXMZQXXVJOO-UHFFFAOYSA-N 0 0 195.306 2.341 10 30 AEEERN C=CCCCN(C)C(=O)C#CC(C)C 828255689 583056860 /nfs/dbraw/zinc/05/68/60/583056860.db2.gz YANOSVWGOITKPC-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN CCN(C(=O)C#CC(C)C)C1CCC1 828275849 583057343 /nfs/dbraw/zinc/05/73/43/583057343.db2.gz CNBRFDHEQIBZDC-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN CC(C)C#CC(=O)NC[C@@H](C)C(C)C 828444779 583059297 /nfs/dbraw/zinc/05/92/97/583059297.db2.gz ZQRXKYRIXAQRQR-LLVKDONJSA-N 0 0 195.306 2.054 10 30 AEEERN CC(C)C#CC(=O)NC[C@H](C)C(C)C 828444781 583059408 /nfs/dbraw/zinc/05/94/08/583059408.db2.gz ZQRXKYRIXAQRQR-NSHDSACASA-N 0 0 195.306 2.054 10 30 AEEERN C=CCCC(=O)O[C@@H](C(C)=O)C(C)C 828812922 583060627 /nfs/dbraw/zinc/06/06/27/583060627.db2.gz QACBQFROEMKFQW-LLVKDONJSA-N 0 0 198.262 2.109 10 30 AEEERN C=CCCC(=O)O[C@H](C(C)=O)C(C)C 828812923 583060685 /nfs/dbraw/zinc/06/06/85/583060685.db2.gz QACBQFROEMKFQW-NSHDSACASA-N 0 0 198.262 2.109 10 30 AEEERN O=C(C#CC1CC1)OCC1=CCCC1 829268918 583061813 /nfs/dbraw/zinc/06/18/13/583061813.db2.gz FCABKXWRZCCNFP-UHFFFAOYSA-N 0 0 190.242 2.053 10 30 AEEERN CCC1(NC(=O)C#CC(C)C)CCC1 829589696 583064032 /nfs/dbraw/zinc/06/40/32/583064032.db2.gz NXEVUWUKJAXTSA-UHFFFAOYSA-N 0 0 193.290 2.095 10 30 AEEERN C=CCN(C)C(=O)C(C)=C1CCC1 829915511 583065205 /nfs/dbraw/zinc/06/52/05/583065205.db2.gz IDGPEGQNGPFHJJ-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=C(C)CNC(=O)/C=C(/C)CC 829920986 583065231 /nfs/dbraw/zinc/06/52/31/583065231.db2.gz DAERUJULKKGUSQ-TWGQIWQCSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(C)CNC(=O)/C=C(\C)CC 829920985 583065258 /nfs/dbraw/zinc/06/52/58/583065258.db2.gz DAERUJULKKGUSQ-RMKNXTFCSA-N 0 0 167.252 2.035 10 30 AEEERN C#C[C@H](CC)NC(=O)CCCC(C)C 830361606 583067155 /nfs/dbraw/zinc/06/71/55/583067155.db2.gz PBMKUZCSDGVMHS-LLVKDONJSA-N 0 0 195.306 2.341 10 30 AEEERN C#C[C@@H](CC)NC(=O)CCCC(C)C 830361610 583067508 /nfs/dbraw/zinc/06/75/08/583067508.db2.gz PBMKUZCSDGVMHS-NSHDSACASA-N 0 0 195.306 2.341 10 30 AEEERN CC#CCOC(=O)C1CC2(CCC2)C1 830625592 583068621 /nfs/dbraw/zinc/06/86/21/583068621.db2.gz GOWQBZQENRXTKC-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CCCC(C)C 830574682 583068661 /nfs/dbraw/zinc/06/86/61/583068661.db2.gz YSGAKFQGWCWGEL-LLVKDONJSA-N 0 0 195.306 2.293 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CCCC(C)C 830574683 583068700 /nfs/dbraw/zinc/06/87/00/583068700.db2.gz YSGAKFQGWCWGEL-NSHDSACASA-N 0 0 195.306 2.293 10 30 AEEERN C=CCC[C@H](C)OC(=O)C1(F)CC1 830758782 583069317 /nfs/dbraw/zinc/06/93/17/583069317.db2.gz UIPSGKBLXLYVTA-QMMMGPOBSA-N 0 0 186.226 2.386 10 30 AEEERN C=CCC[C@@H](C)OC(=O)C1(F)CC1 830758781 583069389 /nfs/dbraw/zinc/06/93/89/583069389.db2.gz UIPSGKBLXLYVTA-MRVPVSSYSA-N 0 0 186.226 2.386 10 30 AEEERN C=CCCCCOC(=O)C1(F)CC1 830749591 583069449 /nfs/dbraw/zinc/06/94/49/583069449.db2.gz GQFYOHXDASMTJQ-UHFFFAOYSA-N 0 0 186.226 2.388 10 30 AEEERN C=CCC[C@H](C)OC(=O)C1(OC)CC1 830832054 583069994 /nfs/dbraw/zinc/06/99/94/583069994.db2.gz ANORZKLSLZOAEY-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCCCOC(=O)C1(OC)CC1 830826078 583070043 /nfs/dbraw/zinc/07/00/43/583070043.db2.gz YLGAOIZWJLZIQF-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCC[C@@H](C)OC(=O)C1(OC)CC1 830832052 583070073 /nfs/dbraw/zinc/07/00/73/583070073.db2.gz ANORZKLSLZOAEY-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=C1CCC(CNC(=O)CCF)CC1 830979810 583071375 /nfs/dbraw/zinc/07/13/75/583071375.db2.gz DLHXWQMKCDLAMY-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=CCCN(C)C(=O)OC1CCC1 831215533 583072118 /nfs/dbraw/zinc/07/21/18/583072118.db2.gz BJMCLGRBOPNLMA-UHFFFAOYSA-N 0 0 183.251 2.183 10 30 AEEERN C#CC(C)(C)N(C)C(=O)OC1CCC1 831280116 583072313 /nfs/dbraw/zinc/07/23/13/583072313.db2.gz FFJDIWZWISGQNF-UHFFFAOYSA-N 0 0 195.262 2.019 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)OC1CCCC1 831293136 583072600 /nfs/dbraw/zinc/07/26/00/583072600.db2.gz DAMISQDRHXFFOD-SECBINFHSA-N 0 0 195.262 2.019 10 30 AEEERN C#C[C@H](C)N(C)C(=O)OC1CCCC1 831293137 583072732 /nfs/dbraw/zinc/07/27/32/583072732.db2.gz DAMISQDRHXFFOD-VIFPVBQESA-N 0 0 195.262 2.019 10 30 AEEERN C#C[C@H](NC(=O)/C=C(/C)CC)C(C)C 831732892 583075396 /nfs/dbraw/zinc/07/53/96/583075396.db2.gz FOBRNCVWHJUFCD-IEHMKBBKSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](NC(=O)/C=C(\C)CC)C(C)C 831732893 583075532 /nfs/dbraw/zinc/07/55/32/583075532.db2.gz FOBRNCVWHJUFCD-RJCSOLBVSA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@@H](NC(=O)/C=C(/C)CC)C(C)C 831732891 583075636 /nfs/dbraw/zinc/07/56/36/583075636.db2.gz FOBRNCVWHJUFCD-HIJJYWJESA-N 0 0 193.290 2.117 10 30 AEEERN C#C[C@H](NC(=O)/C=C(\C)CC)C(C)C 831732894 583075795 /nfs/dbraw/zinc/07/57/95/583075795.db2.gz FOBRNCVWHJUFCD-UQSGXBNBSA-N 0 0 193.290 2.117 10 30 AEEERN C=CC(C)(C)CCCNC(=O)C#CC 832718664 583079877 /nfs/dbraw/zinc/07/98/77/583079877.db2.gz NMIXDDZWOLPCRV-UHFFFAOYSA-N 0 0 193.290 2.118 10 30 AEEERN C=CC(C)(C)CCCNC(=O)CC#N 832718218 583079999 /nfs/dbraw/zinc/07/99/99/583079999.db2.gz CRNYVGMFEUQNIC-UHFFFAOYSA-N 0 0 194.278 2.009 10 30 AEEERN C#CCN(CC1CCCCC1)OCC 832786390 583080938 /nfs/dbraw/zinc/08/09/38/583080938.db2.gz BZJGTOVOQMYLLZ-UHFFFAOYSA-N 0 0 195.306 2.453 10 30 AEEERN C=CCCCC(=O)N1CC[C@@H]1C1CC1 833689908 583083350 /nfs/dbraw/zinc/08/33/50/583083350.db2.gz CWVCBZDIUHICNC-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN C=CCCCC(=O)N1CC[C@H]1C1CC1 833689909 583083545 /nfs/dbraw/zinc/08/35/45/583083545.db2.gz CWVCBZDIUHICNC-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C#CCCc1noc([C@@H]2C[C@H]2CC)n1 834585987 583086383 /nfs/dbraw/zinc/08/63/83/583086383.db2.gz XHSYHBLMOAOAIK-RKDXNWHRSA-N 0 0 190.246 2.149 10 30 AEEERN C#CCCNc1ccc2c(c1)CCC2=O 834620544 583086461 /nfs/dbraw/zinc/08/64/61/583086461.db2.gz SCNRCUNISUZUDD-UHFFFAOYSA-N 0 0 199.253 2.251 10 30 AEEERN C#CCCc1noc(/C=C(\C)CC)n1 834585057 583086544 /nfs/dbraw/zinc/08/65/44/583086544.db2.gz FEYGFALQLPZKHW-CMDGGOBGSA-N 0 0 190.246 2.449 10 30 AEEERN C#CCCc1noc(/C=C(/C)CC)n1 834585058 583086668 /nfs/dbraw/zinc/08/66/68/583086668.db2.gz FEYGFALQLPZKHW-HJWRWDBZSA-N 0 0 190.246 2.449 10 30 AEEERN CCON=Cc1csc(C)c1 834937177 583087195 /nfs/dbraw/zinc/08/71/95/583087195.db2.gz LQRKURMAMAZFGC-UHFFFAOYSA-N 0 0 169.249 2.427 10 30 AEEERN C#CCCCc1nc(C2(C)CC2)no1 834882154 583087401 /nfs/dbraw/zinc/08/74/01/583087401.db2.gz ISYDTISOURKJKM-UHFFFAOYSA-N 0 0 190.246 2.077 10 30 AEEERN CCON=C(C)Cc1ccccn1 834936635 583087821 /nfs/dbraw/zinc/08/78/21/583087821.db2.gz AZKCNSKOJDWXQU-UHFFFAOYSA-N 0 0 178.235 2.037 10 30 AEEERN CCON=CC[C@H](C)CC 834936618 583088086 /nfs/dbraw/zinc/08/80/86/583088086.db2.gz AUNIIASMKPJJGJ-MRVPVSSYSA-N 0 0 143.230 2.445 10 30 AEEERN CCON=C(CC)c1ccncc1 834936645 583088234 /nfs/dbraw/zinc/08/82/34/583088234.db2.gz BEVZLXJMTUYIMJ-UHFFFAOYSA-N 0 0 178.235 2.232 10 30 AEEERN CON=Cc1csc(C)c1 834938286 583088235 /nfs/dbraw/zinc/08/82/35/583088235.db2.gz GDTTUIAEEYKXPU-UHFFFAOYSA-N 0 0 155.222 2.037 10 30 AEEERN CCON=C1CCC(C)(C#N)CC1 834936746 583088251 /nfs/dbraw/zinc/08/82/51/583088251.db2.gz CKUJCKOGNFDAKV-UHFFFAOYSA-N 0 0 180.251 2.483 10 30 AEEERN CCON=C(C)Cc1ccoc1 834936686 583088444 /nfs/dbraw/zinc/08/84/44/583088444.db2.gz BOEMRGJBHSKPSB-UHFFFAOYSA-N 0 0 167.208 2.235 10 30 AEEERN CCON=C1CCOC2(CCC2)C1 834936905 583088450 /nfs/dbraw/zinc/08/84/50/583088450.db2.gz GCWUJYWPRDQKFK-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN CCON=CC[C@@H](C)CC 834936622 583088469 /nfs/dbraw/zinc/08/84/69/583088469.db2.gz AUNIIASMKPJJGJ-QMMMGPOBSA-N 0 0 143.230 2.445 10 30 AEEERN CC(C)CON=C1COCC1(C)C 834965430 583088648 /nfs/dbraw/zinc/08/86/48/583088648.db2.gz ADRQYFLUKBBVFP-UHFFFAOYSA-N 0 0 185.267 2.071 10 30 AEEERN CCC(CC)NN=C1COCC1(C)C 834959849 583088673 /nfs/dbraw/zinc/08/86/73/583088673.db2.gz UOKBFVXASBMLMJ-UHFFFAOYSA-N 0 0 198.310 2.177 10 30 AEEERN CCC[C@@H](C=NNC1CCCC1)OC 834953222 583088678 /nfs/dbraw/zinc/08/86/78/583088678.db2.gz BPQVHMHTDDUKCO-NSHDSACASA-N 0 0 198.310 2.320 10 30 AEEERN COCCON=Cc1csc(C)c1 834963941 583088685 /nfs/dbraw/zinc/08/86/85/583088685.db2.gz HFJZTVQDGXZAHX-UHFFFAOYSA-N 0 0 199.275 2.053 10 30 AEEERN CCCNN=C(C)Cc1ccoc1 834941409 583088716 /nfs/dbraw/zinc/08/87/16/583088716.db2.gz PNJFLLOASDGYQV-UHFFFAOYSA-N 0 0 180.251 2.198 10 30 AEEERN FC1(F)CC1=CNNC1CCCC1 834954244 583088787 /nfs/dbraw/zinc/08/87/87/583088787.db2.gz LGHVVYJNTLPVPV-SSDOTTSWSA-N 0 0 188.221 2.160 10 30 AEEERN CCC[C@H](C=NNC1CCCC1)OC 834953221 583088802 /nfs/dbraw/zinc/08/88/02/583088802.db2.gz BPQVHMHTDDUKCO-LLVKDONJSA-N 0 0 198.310 2.320 10 30 AEEERN CC(C)CON=C[C@@H]1CC1(F)F 834966796 583088863 /nfs/dbraw/zinc/08/88/63/583088863.db2.gz SQXUGDKTNQOFLQ-ZETCQYMHSA-N 0 0 177.194 2.300 10 30 AEEERN CCCNN=Cc1csc(C)c1 834942027 583088875 /nfs/dbraw/zinc/08/88/75/583088875.db2.gz WLFHCNNNZZKAIZ-UHFFFAOYSA-N 0 0 182.292 2.390 10 30 AEEERN CC[C@@H](C)CC=NOCCOC 834961801 583088943 /nfs/dbraw/zinc/08/89/43/583088943.db2.gz DFABCBMMEHKCAE-SECBINFHSA-N 0 0 173.256 2.071 10 30 AEEERN FC1(F)CC1=CNNC1CCCC1 834954252 583088992 /nfs/dbraw/zinc/08/89/92/583088992.db2.gz LGHVVYJNTLPVPV-ZETCQYMHSA-N 0 0 188.221 2.160 10 30 AEEERN CC[C@H](C)CC=NOCCOC 834961802 583089024 /nfs/dbraw/zinc/08/90/24/583089024.db2.gz DFABCBMMEHKCAE-VIFPVBQESA-N 0 0 173.256 2.071 10 30 AEEERN CC(C)CON=C[C@H]1CC1(F)F 834966795 583089027 /nfs/dbraw/zinc/08/90/27/583089027.db2.gz SQXUGDKTNQOFLQ-SSDOTTSWSA-N 0 0 177.194 2.300 10 30 AEEERN C[C@H]1CC(=NOC2CCCC2)[C@H](C)O1 834968178 583089239 /nfs/dbraw/zinc/08/92/39/583089239.db2.gz GNIMKOARSVHXKK-IUCAKERBSA-N 0 0 197.278 2.499 10 30 AEEERN CSCCON=C[C@H]1CC1(F)F 834976556 583089258 /nfs/dbraw/zinc/08/92/58/583089258.db2.gz ZWECWIOQSRXESA-ZCFIWIBFSA-N 0 0 195.234 2.007 10 30 AEEERN C[C@@H]1O[C@H](C)CC1=NOC1CCCC1 834968176 583089302 /nfs/dbraw/zinc/08/93/02/583089302.db2.gz GNIMKOARSVHXKK-BDAKNGLRSA-N 0 0 197.278 2.499 10 30 AEEERN CC1(C)COCC1=NOC1CCCC1 834968662 583089330 /nfs/dbraw/zinc/08/93/30/583089330.db2.gz NNAKMYKDNCVOML-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN CC(Cc1ccoc1)=NNCC(C)C 834968296 583089393 /nfs/dbraw/zinc/08/93/93/583089393.db2.gz IVYOHNHOFXGZEW-UHFFFAOYSA-N 0 0 194.278 2.444 10 30 AEEERN C[C@@H]1CC(=NOC2CCCC2)[C@@H](C)O1 834968179 583089430 /nfs/dbraw/zinc/08/94/30/583089430.db2.gz GNIMKOARSVHXKK-RKDXNWHRSA-N 0 0 197.278 2.499 10 30 AEEERN CSCCON=C[C@@H]1CC1(F)F 834976531 583089676 /nfs/dbraw/zinc/08/96/76/583089676.db2.gz ZWECWIOQSRXESA-LURJTMIESA-N 0 0 195.234 2.007 10 30 AEEERN Cc1cc(C=NNC2CC2)cs1 834969598 583089682 /nfs/dbraw/zinc/08/96/82/583089682.db2.gz TYOJLRWDAUHGMH-UHFFFAOYSA-N 0 0 180.276 2.142 10 30 AEEERN C[C@H]1CC(=NOC2CCCC2)[C@@H](C)O1 834968177 583089712 /nfs/dbraw/zinc/08/97/12/583089712.db2.gz GNIMKOARSVHXKK-DTWKUNHWSA-N 0 0 197.278 2.499 10 30 AEEERN C#CCON=C(CC)C1CCC1 834978160 583089920 /nfs/dbraw/zinc/08/99/20/583089920.db2.gz CFOCLXWWLARWQX-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN CC[C@H](C)CON=Cc1ncc(C)o1 834980730 583089927 /nfs/dbraw/zinc/08/99/27/583089927.db2.gz CIERBZAMICHCPA-QMMMGPOBSA-N 0 0 196.250 2.380 10 30 AEEERN FC1(F)C[C@H]1C=NOCC1CC1 834982293 583089981 /nfs/dbraw/zinc/08/99/81/583089981.db2.gz VCHLSCFFBRWBJL-ZETCQYMHSA-N 0 0 175.178 2.054 10 30 AEEERN CC1(C)COCC1=NOCCC1CC1 834982031 583089986 /nfs/dbraw/zinc/08/99/86/583089986.db2.gz KJCWQASFASVKPF-UHFFFAOYSA-N 0 0 197.278 2.216 10 30 AEEERN C=C(C)CNN=C1C[C@H](C)O[C@H](C)C1 834980739 583089993 /nfs/dbraw/zinc/08/99/93/583089993.db2.gz TWXINAFWVLVJKA-AOOOYVTPSA-N 0 0 196.294 2.096 10 30 AEEERN C#CCON=CCc1ccc(C)cc1 834978402 583089998 /nfs/dbraw/zinc/08/99/98/583089998.db2.gz FRFBKJNVYPYXHK-UHFFFAOYSA-N 0 0 187.242 2.173 10 30 AEEERN C[C@H]1CC(=NOCC2CC2)C[C@@H](C)O1 834981792 583090017 /nfs/dbraw/zinc/09/00/17/583090017.db2.gz AENOHHPVSFEEHD-DTORHVGOSA-N 0 0 197.278 2.356 10 30 AEEERN CC[C@@H](C)CON=Cc1ncc(C)o1 834980728 583090100 /nfs/dbraw/zinc/09/01/00/583090100.db2.gz CIERBZAMICHCPA-MRVPVSSYSA-N 0 0 196.250 2.380 10 30 AEEERN FC1(F)C[C@@H]1C=NOCCC1CC1 834982254 583090136 /nfs/dbraw/zinc/09/01/36/583090136.db2.gz SXSUNIYMXKJHGA-MRVPVSSYSA-N 0 0 189.205 2.444 10 30 AEEERN CCC[C@H](C=NOCC1CC1)OC 834981860 583090139 /nfs/dbraw/zinc/09/01/39/583090139.db2.gz CIXWGWSACJYNJT-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN Cc1cnccc1C=NOC1CCC1 834978275 583090271 /nfs/dbraw/zinc/09/02/71/583090271.db2.gz DOUWPPCGUDCERA-UHFFFAOYSA-N 0 0 190.246 2.293 10 30 AEEERN CCC[C@@H](C=NOCC1CC1)OC 834981859 583090300 /nfs/dbraw/zinc/09/03/00/583090300.db2.gz CIXWGWSACJYNJT-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN C=C(C)CNN=C(C)Cc1ccoc1 834980670 583090311 /nfs/dbraw/zinc/09/03/11/583090311.db2.gz SKSZKMBWAFKWFN-UHFFFAOYSA-N 0 0 192.262 2.364 10 30 AEEERN FC1(F)C[C@@H]1C=NOCC1CC1 834982292 583090321 /nfs/dbraw/zinc/09/03/21/583090321.db2.gz VCHLSCFFBRWBJL-SSDOTTSWSA-N 0 0 175.178 2.054 10 30 AEEERN C=C(C)CNN=Cc1cccn1CC 834980221 583090363 /nfs/dbraw/zinc/09/03/63/583090363.db2.gz QHMPSGGOPPVJFQ-UHFFFAOYSA-N 0 0 191.278 2.008 10 30 AEEERN FC1(F)C[C@H]1C=NOCCC1CC1 834982255 583090389 /nfs/dbraw/zinc/09/03/89/583090389.db2.gz SXSUNIYMXKJHGA-QMMMGPOBSA-N 0 0 189.205 2.444 10 30 AEEERN CC(=NOC(C)C)c1cncs1 834999510 583090592 /nfs/dbraw/zinc/09/05/92/583090592.db2.gz CLISTFKOZQEPPF-UHFFFAOYSA-N 0 0 184.264 2.292 10 30 AEEERN Cc1cnc(C=NOC(C)C)s1 834999948 583090621 /nfs/dbraw/zinc/09/06/21/583090621.db2.gz GGUSRPPBMMYEGI-UHFFFAOYSA-N 0 0 184.264 2.210 10 30 AEEERN CC(C)ON=C1COc2ccccc21 834999697 583090674 /nfs/dbraw/zinc/09/06/74/583090674.db2.gz DMCVDODJOJXLLE-UHFFFAOYSA-N 0 0 191.230 2.208 10 30 AEEERN CC1(CN=Nc2ccncn2)CCC1 835000485 583090698 /nfs/dbraw/zinc/09/06/98/583090698.db2.gz FMARZBRKTVVQQA-UHFFFAOYSA-N 0 0 190.250 2.065 10 30 AEEERN CC(Cc1ccccn1)=NOC(C)C 834999627 583090700 /nfs/dbraw/zinc/09/07/00/583090700.db2.gz CWZCIOZEZRBJLT-UHFFFAOYSA-N 0 0 192.262 2.425 10 30 AEEERN CO[C@H]1CC(=NOC(C)C)C12CCC2 834999707 583090705 /nfs/dbraw/zinc/09/07/05/583090705.db2.gz DQLFYKDZKIOWFE-JTQLQIEISA-N 0 0 197.278 2.356 10 30 AEEERN CC1CC(=NOC(C)C)C1 835000008 583090738 /nfs/dbraw/zinc/09/07/38/583090738.db2.gz GXOBZMJJOZWBRH-UHFFFAOYSA-N 0 0 141.214 2.197 10 30 AEEERN CC(C)ON=C1CSC[C@@H]1C 834999982 583090760 /nfs/dbraw/zinc/09/07/60/583090760.db2.gz GPUKGZMIKBLIQL-ZETCQYMHSA-N 0 0 173.281 2.150 10 30 AEEERN CCn1ccnc1C(C)=NOC(C)C 835000042 583090778 /nfs/dbraw/zinc/09/07/78/583090778.db2.gz HWTSJNPPCQZIBS-UHFFFAOYSA-N 0 0 195.266 2.052 10 30 AEEERN CO[C@@H]1CC(=NOC(C)C)C12CCC2 834999709 583090786 /nfs/dbraw/zinc/09/07/86/583090786.db2.gz DQLFYKDZKIOWFE-SNVBAGLBSA-N 0 0 197.278 2.356 10 30 AEEERN CC(=NOC(C)C)c1cnoc1C 835000949 583090848 /nfs/dbraw/zinc/09/08/48/583090848.db2.gz AQUKSKPCTOAUNM-UHFFFAOYSA-N 0 0 182.223 2.132 10 30 AEEERN Cc1ccc(C=NOC(C)C)nc1 834999755 583090864 /nfs/dbraw/zinc/09/08/64/583090864.db2.gz DZSSJLMHPBBADI-UHFFFAOYSA-N 0 0 178.235 2.149 10 30 AEEERN CC(C)ON=C1C[C@H](C)O[C@H](C)C1 834999421 583090875 /nfs/dbraw/zinc/09/08/75/583090875.db2.gz ARZQNOYMRVVNET-DTORHVGOSA-N 0 0 185.267 2.355 10 30 AEEERN COCC(=NOC(C)C)C(C)C 834999869 583090881 /nfs/dbraw/zinc/09/08/81/583090881.db2.gz HKDINFVLQRMZML-UHFFFAOYSA-N 0 0 173.256 2.070 10 30 AEEERN CCC[C@@H](C=NOC(C)C)OC 834999454 583090898 /nfs/dbraw/zinc/09/08/98/583090898.db2.gz AZZWLLBBGFBSJC-VIFPVBQESA-N 0 0 173.256 2.212 10 30 AEEERN CC(C)ON=C1CCS[C@@H]1C 834999719 583090907 /nfs/dbraw/zinc/09/09/07/583090907.db2.gz DXGBIBLEAHPKAO-SSDOTTSWSA-N 0 0 173.281 2.293 10 30 AEEERN CC(C)ON=Cc1cccnc1Cl 835000045 583090915 /nfs/dbraw/zinc/09/09/15/583090915.db2.gz IBKHDWUPJJKYKG-UHFFFAOYSA-N 0 0 198.653 2.494 10 30 AEEERN COCC(CC(C)C)=NOC(C)C 834999584 583090944 /nfs/dbraw/zinc/09/09/44/583090944.db2.gz DJMAAQQWNBHZLY-UHFFFAOYSA-N 0 0 187.283 2.460 10 30 AEEERN CC(C)ON=C1CSC[C@H]1C 834999978 583090965 /nfs/dbraw/zinc/09/09/65/583090965.db2.gz GPUKGZMIKBLIQL-SSDOTTSWSA-N 0 0 173.281 2.150 10 30 AEEERN CC(C)ON=C1CCS[C@H]1C 834999802 583090993 /nfs/dbraw/zinc/09/09/93/583090993.db2.gz DXGBIBLEAHPKAO-ZETCQYMHSA-N 0 0 173.281 2.293 10 30 AEEERN CC(COC(C)C)=NOC(C)C 835001177 583091012 /nfs/dbraw/zinc/09/10/12/583091012.db2.gz DAKOCKCQOVIVSB-UHFFFAOYSA-N 0 0 173.256 2.212 10 30 AEEERN CCC[C@H](C=NOC(C)C)OC 834999452 583091031 /nfs/dbraw/zinc/09/10/31/583091031.db2.gz AZZWLLBBGFBSJC-SECBINFHSA-N 0 0 173.256 2.212 10 30 AEEERN CC(Cc1ccncc1)=NOC(C)C 834999884 583091041 /nfs/dbraw/zinc/09/10/41/583091041.db2.gz HMMGUTFNGSBANB-UHFFFAOYSA-N 0 0 192.262 2.425 10 30 AEEERN CC(C)ON=C1C[C@H](C)[C@H]1C 835002571 583091279 /nfs/dbraw/zinc/09/12/79/583091279.db2.gz QDWRRNWGWCEEOL-JGVFFNPUSA-N 0 0 155.241 2.443 10 30 AEEERN CSC1(C=NOC(C)C)CC1 835001605 583091286 /nfs/dbraw/zinc/09/12/86/583091286.db2.gz HUBSGIGZJCUXDQ-UHFFFAOYSA-N 0 0 173.281 2.293 10 30 AEEERN Cc1nc(C)c(C=NOC(C)C)o1 835003303 583091313 /nfs/dbraw/zinc/09/13/13/583091313.db2.gz YGPKDMXNYKYTDB-UHFFFAOYSA-N 0 0 182.223 2.050 10 30 AEEERN COC[C@H](C)C(C)=NOC(C)C 835001623 583091333 /nfs/dbraw/zinc/09/13/33/583091333.db2.gz IBTWNUWZXBTRIK-QMMMGPOBSA-N 0 0 173.256 2.070 10 30 AEEERN Cc1cc(C=NOC(C)C)c(C)n1C 835001618 583091342 /nfs/dbraw/zinc/09/13/42/583091342.db2.gz IAYPWXSKLXRKOV-UHFFFAOYSA-N 0 0 194.278 2.401 10 30 AEEERN CCO[C@H]1CCCC1=NOC(C)C 835001369 583091374 /nfs/dbraw/zinc/09/13/74/583091374.db2.gz FSSIOFGHYJICGJ-JTQLQIEISA-N 0 0 185.267 2.356 10 30 AEEERN CC(C)ON=C1C[C@@H](C)[C@H]1C 835002569 583091405 /nfs/dbraw/zinc/09/14/05/583091405.db2.gz QDWRRNWGWCEEOL-HTQZYQBOSA-N 0 0 155.241 2.443 10 30 AEEERN CCO[C@@H]1CCCC1=NOC(C)C 835001372 583091467 /nfs/dbraw/zinc/09/14/67/583091467.db2.gz FSSIOFGHYJICGJ-SNVBAGLBSA-N 0 0 185.267 2.356 10 30 AEEERN COC[C@@H](C)C(C)=NOC(C)C 835001622 583091504 /nfs/dbraw/zinc/09/15/04/583091504.db2.gz IBTWNUWZXBTRIK-MRVPVSSYSA-N 0 0 173.256 2.070 10 30 AEEERN Cc1cc(C=NOC(C)C)sn1 835001634 583091520 /nfs/dbraw/zinc/09/15/20/583091520.db2.gz IEAXJOVYVZORIB-UHFFFAOYSA-N 0 0 184.264 2.210 10 30 AEEERN CC(C)ON=C1C[C@H](C)[C@@H]1C 835002576 583091522 /nfs/dbraw/zinc/09/15/22/583091522.db2.gz QDWRRNWGWCEEOL-YUMQZZPRSA-N 0 0 155.241 2.443 10 30 AEEERN CCC[C@H](C)CN=Nc1ccncn1 835001543 583091536 /nfs/dbraw/zinc/09/15/36/583091536.db2.gz NRRXMEQHQYCZEL-VIFPVBQESA-N 0 0 192.266 2.311 10 30 AEEERN CC(C)ON=C1C[C@@H](C)[C@@H]1C 835002574 583091580 /nfs/dbraw/zinc/09/15/80/583091580.db2.gz QDWRRNWGWCEEOL-SFYZADRCSA-N 0 0 155.241 2.443 10 30 AEEERN CCC[C@@H](C)CN=Nc1ccncn1 835001542 583091597 /nfs/dbraw/zinc/09/15/97/583091597.db2.gz NRRXMEQHQYCZEL-SECBINFHSA-N 0 0 192.266 2.311 10 30 AEEERN CC(C)ON=C1CCCSC1 835002476 583091632 /nfs/dbraw/zinc/09/16/32/583091632.db2.gz OMJZPTCFGDVRNC-UHFFFAOYSA-N 0 0 173.281 2.294 10 30 AEEERN CCOC1CC(C=NOC(C)C)C1 835002876 583091676 /nfs/dbraw/zinc/09/16/76/583091676.db2.gz RPCXMUNDSBKQRI-UHFFFAOYSA-N 0 0 185.267 2.212 10 30 AEEERN C#CCNN=C1C[C@@H](C)C[C@H](C)C1 835007819 583091958 /nfs/dbraw/zinc/09/19/58/583091958.db2.gz FUDFDYOREIAZMM-UWVGGRQHSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1C[C@H](C)C[C@@H](C)C1 835007818 583092075 /nfs/dbraw/zinc/09/20/75/583092075.db2.gz FUDFDYOREIAZMM-NXEZZACHSA-N 0 0 178.279 2.021 10 30 AEEERN CC(C)ON=Cc1cccc(C#N)c1 835004010 583092080 /nfs/dbraw/zinc/09/20/80/583092080.db2.gz DZPWZCKGTJYDLF-UHFFFAOYSA-N 0 0 188.230 2.317 10 30 AEEERN C#CCNN=C1C[C@@H](C)C[C@@H](C)C1 835007817 583092098 /nfs/dbraw/zinc/09/20/98/583092098.db2.gz FUDFDYOREIAZMM-AOOOYVTPSA-N 0 0 178.279 2.021 10 30 AEEERN CC(C)ON=Cc1ccc(C#N)cc1 835003969 583092194 /nfs/dbraw/zinc/09/21/94/583092194.db2.gz HXPXEFVKPSNWCV-UHFFFAOYSA-N 0 0 188.230 2.317 10 30 AEEERN C#CCNN=C(C)CCC=C(C)C 835007628 583092273 /nfs/dbraw/zinc/09/22/73/583092273.db2.gz AITSDFHIYFEJFW-UHFFFAOYSA-N 0 0 178.279 2.332 10 30 AEEERN C#CCNN=C(C)CC1CCCC1 835007811 583092279 /nfs/dbraw/zinc/09/22/79/583092279.db2.gz FFGIICPPPNRHSH-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN CC(C)CC=NOC(C)C 835003912 583092323 /nfs/dbraw/zinc/09/23/23/583092323.db2.gz BVVHKARFRRPVBP-UHFFFAOYSA-N 0 0 143.230 2.443 10 30 AEEERN C#CCNN=C1C[C@H](C)CC(C)(C)C1 835007271 583092328 /nfs/dbraw/zinc/09/23/28/583092328.db2.gz MEYCXWDIVAHNJI-JTQLQIEISA-N 0 0 192.306 2.411 10 30 AEEERN CC(C)ON=Cc1ccoc1 835004174 583092334 /nfs/dbraw/zinc/09/23/34/583092334.db2.gz ILXAWXQCCRYEOK-UHFFFAOYSA-N 0 0 153.181 2.039 10 30 AEEERN CCn1cc(C(C)=NOC(C)C)cn1 835003927 583092336 /nfs/dbraw/zinc/09/23/36/583092336.db2.gz CMBFMPGDEBYLNM-UHFFFAOYSA-N 0 0 195.266 2.052 10 30 AEEERN CC(C)ON=C1CCSCC1 835004102 583092376 /nfs/dbraw/zinc/09/23/76/583092376.db2.gz HBXHRSXGGMPTHJ-UHFFFAOYSA-N 0 0 173.281 2.294 10 30 AEEERN C#CCNN=C1CC[C@H](C)[C@H](C)C1 835008513 583092515 /nfs/dbraw/zinc/09/25/15/583092515.db2.gz HEJKJOFCCKSIFM-VHSXEESVSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CCC[C@@H](C)[C@H]1C 835008543 583092627 /nfs/dbraw/zinc/09/26/27/583092627.db2.gz HQAULHALAZTMQF-NXEZZACHSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CCC[C@@H](C)[C@@H]1C 835008555 583092784 /nfs/dbraw/zinc/09/27/84/583092784.db2.gz HQAULHALAZTMQF-ZJUUUORDSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CCC[C@H](C)[C@H]1C 835008552 583092787 /nfs/dbraw/zinc/09/27/87/583092787.db2.gz HQAULHALAZTMQF-VHSXEESVSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CC[C@@H](C)[C@@H](C)C1 835008516 583092834 /nfs/dbraw/zinc/09/28/34/583092834.db2.gz HEJKJOFCCKSIFM-ZJUUUORDSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CCC[C@H](C)[C@@H]1C 835008548 583092874 /nfs/dbraw/zinc/09/28/74/583092874.db2.gz HQAULHALAZTMQF-UWVGGRQHSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CC[C@H](C)[C@@H](C)C1 835008509 583092913 /nfs/dbraw/zinc/09/29/13/583092913.db2.gz HEJKJOFCCKSIFM-UWVGGRQHSA-N 0 0 178.279 2.021 10 30 AEEERN C#CCNN=C1CC[C@@H](C)[C@H](C)C1 835008507 583092933 /nfs/dbraw/zinc/09/29/33/583092933.db2.gz HEJKJOFCCKSIFM-NXEZZACHSA-N 0 0 178.279 2.021 10 30 AEEERN C=CCON=C1CC2(CC2)C1 835014189 583093242 /nfs/dbraw/zinc/09/32/42/583093242.db2.gz BTOAGABGQPEKPZ-UHFFFAOYSA-N 0 0 151.209 2.119 10 30 AEEERN C=CCON=C1CCC[C@H]2C[C@@H]12 835013063 583093250 /nfs/dbraw/zinc/09/32/50/583093250.db2.gz GIWVWUDWMDZWBX-DTWKUNHWSA-N 0 0 165.236 2.365 10 30 AEEERN C=CCON=C1CCC(COC)CC1 835014206 583093322 /nfs/dbraw/zinc/09/33/22/583093322.db2.gz CHZZVKIHVTZUGH-UHFFFAOYSA-N 0 0 197.278 2.382 10 30 AEEERN C=CCON=C1C[C@](C)(OC)C1(C)C 835012986 583093381 /nfs/dbraw/zinc/09/33/81/583093381.db2.gz CSXFJPMEOZZIBL-NSHDSACASA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C[C@H](C)CCC#N 835013075 583093393 /nfs/dbraw/zinc/09/33/93/583093393.db2.gz GSWVGTZAVYLHEY-SECBINFHSA-N 0 0 166.224 2.115 10 30 AEEERN C(CC1CCCCC1)=Nn1ccnn1 835010449 583093411 /nfs/dbraw/zinc/09/34/11/583093411.db2.gz ACRGCOORXFOJKA-UHFFFAOYSA-N 0 0 192.266 2.082 10 30 AEEERN C=CCON=C1CCC12CCOCC2 835012977 583093434 /nfs/dbraw/zinc/09/34/34/583093434.db2.gz CLYFSWKNVWHXOH-UHFFFAOYSA-N 0 0 195.262 2.136 10 30 AEEERN C=CCON=C(C)Cc1ccncc1 835013046 583093437 /nfs/dbraw/zinc/09/34/37/583093437.db2.gz FRBXTYBIOWAKGB-UHFFFAOYSA-N 0 0 190.246 2.203 10 30 AEEERN C=CCON=CC1(SC)CCC1 835013014 583093447 /nfs/dbraw/zinc/09/34/47/583093447.db2.gz DJPMXYBEQINKAV-UHFFFAOYSA-N 0 0 185.292 2.461 10 30 AEEERN C=CCON=C1C[C@@](C)(OC)C1(C)C 835012985 583093504 /nfs/dbraw/zinc/09/35/04/583093504.db2.gz CSXFJPMEOZZIBL-LLVKDONJSA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C[C@@H](C)CCC#N 835013076 583093580 /nfs/dbraw/zinc/09/35/80/583093580.db2.gz GSWVGTZAVYLHEY-VIFPVBQESA-N 0 0 166.224 2.115 10 30 AEEERN C=CCON=C(C)c1cnccc1C 835013078 583093609 /nfs/dbraw/zinc/09/36/09/583093609.db2.gz GTQIKXXMIOWNFL-UHFFFAOYSA-N 0 0 190.246 2.317 10 30 AEEERN C=CCON=CC1(CC)CCOCC1 835012984 583093610 /nfs/dbraw/zinc/09/36/10/583093610.db2.gz CRVOXNRCNBSTPE-UHFFFAOYSA-N 0 0 197.278 2.382 10 30 AEEERN C=CCON=CC1(C)CCC1 835013018 583093672 /nfs/dbraw/zinc/09/36/72/583093672.db2.gz DPHPQKPOVOLWBZ-UHFFFAOYSA-N 0 0 153.225 2.365 10 30 AEEERN C=CCON=C(COC)C1CCCC1 835013041 583093680 /nfs/dbraw/zinc/09/36/80/583093680.db2.gz FNWNDOQBWMTBKB-UHFFFAOYSA-N 0 0 197.278 2.382 10 30 AEEERN C=CCON=CCCSCC 835013077 583093728 /nfs/dbraw/zinc/09/37/28/583093728.db2.gz GTBQDPALUQJVGC-UHFFFAOYSA-N 0 0 173.281 2.318 10 30 AEEERN C(=Nn1ccnn1)C1CCCCCC1 835011468 583093757 /nfs/dbraw/zinc/09/37/57/583093757.db2.gz FYHJISKMLPFQCT-UHFFFAOYSA-N 0 0 192.266 2.082 10 30 AEEERN C=CCON=C(CCCC)COC 835015241 583093908 /nfs/dbraw/zinc/09/39/08/583093908.db2.gz FUJLOLKIGUFKSP-UHFFFAOYSA-N 0 0 185.267 2.382 10 30 AEEERN C=CCON=C(C)Cc1ccoc1 835015638 583093913 /nfs/dbraw/zinc/09/39/13/583093913.db2.gz SJXSWFPHMHFQIU-UHFFFAOYSA-N 0 0 179.219 2.401 10 30 AEEERN C=CCON=C1CC[C@H]1C1CC1 835014336 583093917 /nfs/dbraw/zinc/09/39/17/583093917.db2.gz GAPZOHNIBIZINV-VIFPVBQESA-N 0 0 165.236 2.365 10 30 AEEERN C=CCON=C1CC[C@@H]1CC 835014301 583093959 /nfs/dbraw/zinc/09/39/59/583093959.db2.gz FIWAUYIIBMVIRM-QMMMGPOBSA-N 0 0 153.225 2.365 10 30 AEEERN C=CCON=C1CCCSC1 835016426 583093999 /nfs/dbraw/zinc/09/39/99/583093999.db2.gz ZFJYEILUATZPOV-UHFFFAOYSA-N 0 0 171.265 2.072 10 30 AEEERN C=CCON=C1CC[C@H]1CC 835014300 583094050 /nfs/dbraw/zinc/09/40/50/583094050.db2.gz FIWAUYIIBMVIRM-MRVPVSSYSA-N 0 0 153.225 2.365 10 30 AEEERN C=CCON=CCC(C)C 835015290 583094067 /nfs/dbraw/zinc/09/40/67/583094067.db2.gz HKXTWSLKDQBLSQ-UHFFFAOYSA-N 0 0 141.214 2.221 10 30 AEEERN C=CCON=C[C@@H](OC)[C@@H](C)CC 835014331 583094074 /nfs/dbraw/zinc/09/40/74/583094074.db2.gz FZIXNSVBSMKPRY-VHSXEESVSA-N 0 0 185.267 2.236 10 30 AEEERN C=CCON=C1CCC[C@@H]1C 835015253 583094087 /nfs/dbraw/zinc/09/40/87/583094087.db2.gz GBFKTOHMICJSFX-QMMMGPOBSA-N 0 0 153.225 2.365 10 30 AEEERN C=CCON=C[C@H](OC)[C@@H](C)CC 835014330 583094119 /nfs/dbraw/zinc/09/41/19/583094119.db2.gz FZIXNSVBSMKPRY-UWVGGRQHSA-N 0 0 185.267 2.236 10 30 AEEERN C=CCON=C1C[C@@H](OCC)C1(C)C 835015292 583094139 /nfs/dbraw/zinc/09/41/39/583094139.db2.gz HQUOUKQAZBQUGF-SNVBAGLBSA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=C1CCO[C@@H](CC)C1 835014958 583094201 /nfs/dbraw/zinc/09/42/01/583094201.db2.gz DKQKXLHQAOILDW-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN C=CCON=C[C@H](OC)[C@H](C)CC 835014333 583094212 /nfs/dbraw/zinc/09/42/12/583094212.db2.gz FZIXNSVBSMKPRY-ZJUUUORDSA-N 0 0 185.267 2.236 10 30 AEEERN C=CCON=C1CCC[C@H]1C 835015252 583094221 /nfs/dbraw/zinc/09/42/21/583094221.db2.gz GBFKTOHMICJSFX-MRVPVSSYSA-N 0 0 153.225 2.365 10 30 AEEERN C=CCON=Cc1cnn(C(C)C)c1 835015077 583094223 /nfs/dbraw/zinc/09/42/23/583094223.db2.gz FDIBXYKZGSPRGG-UHFFFAOYSA-N 0 0 193.250 2.001 10 30 AEEERN C=CCON=Cc1sc(C)nc1C 835015079 583094228 /nfs/dbraw/zinc/09/42/28/583094228.db2.gz FDUJQGSPCUHLBF-UHFFFAOYSA-N 0 0 196.275 2.296 10 30 AEEERN C=CCON=C[C@@H](OC)[C@H](C)CC 835014328 583094237 /nfs/dbraw/zinc/09/42/37/583094237.db2.gz FZIXNSVBSMKPRY-NXEZZACHSA-N 0 0 185.267 2.236 10 30 AEEERN C=CCON=C(COC)CC(C)C 835015299 583094240 /nfs/dbraw/zinc/09/42/40/583094240.db2.gz HWBOYIMTTTWNDF-UHFFFAOYSA-N 0 0 185.267 2.238 10 30 AEEERN C=CCON=C1CCO[C@H](CC)C1 835014960 583094241 /nfs/dbraw/zinc/09/42/41/583094241.db2.gz DKQKXLHQAOILDW-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN C=CCON=C[C@]1(C)CCCS1 835014502 583094246 /nfs/dbraw/zinc/09/42/46/583094246.db2.gz ICNDCJQIFJWVIU-VIFPVBQESA-N 0 0 185.292 2.461 10 30 AEEERN C=CCON=C1C[C@H](OCC)C1(C)C 835015291 583094249 /nfs/dbraw/zinc/09/42/49/583094249.db2.gz HQUOUKQAZBQUGF-JTQLQIEISA-N 0 0 197.278 2.380 10 30 AEEERN C=CCON=Cc1ncc(CC)s1 835014298 583094250 /nfs/dbraw/zinc/09/42/50/583094250.db2.gz FGFWXBKWAOUIHK-UHFFFAOYSA-N 0 0 196.275 2.242 10 30 AEEERN C=CCON=C[C@@]1(C)CCCS1 835014500 583094254 /nfs/dbraw/zinc/09/42/54/583094254.db2.gz ICNDCJQIFJWVIU-SECBINFHSA-N 0 0 185.292 2.461 10 30 AEEERN C=CCON=C1CC[C@@H]1C1CC1 835014334 583094295 /nfs/dbraw/zinc/09/42/95/583094295.db2.gz GAPZOHNIBIZINV-SECBINFHSA-N 0 0 165.236 2.365 10 30 AEEERN C=CCON=C1CCCC[C@H]1OC 835014950 583094301 /nfs/dbraw/zinc/09/43/01/583094301.db2.gz DFTIUDZHKLYVIP-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN C=CCON=C1CCCC[C@@H]1OC 835014948 583094405 /nfs/dbraw/zinc/09/44/05/583094405.db2.gz DFTIUDZHKLYVIP-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN C=CC(C)(C)C(=O)OCC(C)C 835078789 583094711 /nfs/dbraw/zinc/09/47/11/583094711.db2.gz DBGHEBCTZNGDAM-UHFFFAOYSA-N 0 0 170.252 2.398 10 30 AEEERN C=CC(C)(C)C(=O)OCCC 835078793 583094840 /nfs/dbraw/zinc/09/48/40/583094840.db2.gz DEDCEQDIMRCSDW-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN C#CCOC(=O)C1(C2CCC2)CCC1 835078303 583094866 /nfs/dbraw/zinc/09/48/66/583094866.db2.gz HXZJDQWSZXXUGY-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCOC(=O)C(C)(C)C(C)(F)F 835080631 583095018 /nfs/dbraw/zinc/09/50/18/583095018.db2.gz UOEYSFHRLKOGJY-UHFFFAOYSA-N 0 0 192.205 2.397 10 30 AEEERN C=CCCOC(=O)CSC1CC1 835089956 583095289 /nfs/dbraw/zinc/09/52/89/583095289.db2.gz BGFULUDIOZIVDV-UHFFFAOYSA-N 0 0 186.276 2.001 10 30 AEEERN C#CCCOC(=O)C1=CC[C@@H](C)CC1 835089466 583095338 /nfs/dbraw/zinc/09/53/38/583095338.db2.gz CALLBWHVEHJWOW-SNVBAGLBSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)[C@@]1(C)CC=CCC1 835089509 583095418 /nfs/dbraw/zinc/09/54/18/583095418.db2.gz DIXCKYXGEPTVRC-LBPRGKRZSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)[C@H]1CCC[C@H]1CC 835089497 583095436 /nfs/dbraw/zinc/09/54/36/583095436.db2.gz CXVJUJWTZIXCHP-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)C1=CC[C@H](C)CC1 835089465 583095504 /nfs/dbraw/zinc/09/55/04/583095504.db2.gz CALLBWHVEHJWOW-JTQLQIEISA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)[C@]1(C)CC=CCC1 835089508 583095540 /nfs/dbraw/zinc/09/55/40/583095540.db2.gz DIXCKYXGEPTVRC-GFCCVEGCSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)CCCC(C)C 835089617 583095565 /nfs/dbraw/zinc/09/55/65/583095565.db2.gz ITJDTJQEDWZFCN-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C#CCCOC(=O)[C@H]1CCC[C@@H]1CC 835089498 583095631 /nfs/dbraw/zinc/09/56/31/583095631.db2.gz CXVJUJWTZIXCHP-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@H]1CC 835091175 583095633 /nfs/dbraw/zinc/09/56/33/583095633.db2.gz NNHSXSOBVYTBNU-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCC[C@H]1CC 835089496 583095732 /nfs/dbraw/zinc/09/57/32/583095732.db2.gz CXVJUJWTZIXCHP-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCC[C@@H]1CC 835089499 583095738 /nfs/dbraw/zinc/09/57/38/583095738.db2.gz CXVJUJWTZIXCHP-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)c1cc(C)cs1 835089399 583095741 /nfs/dbraw/zinc/09/57/41/583095741.db2.gz AFSQFMQXYVJSOP-UHFFFAOYSA-N 0 0 194.255 2.237 10 30 AEEERN C#C[C@H](C)OC(=O)c1cc(C)cs1 835177111 583096887 /nfs/dbraw/zinc/09/68/87/583096887.db2.gz FLIKFUOKQRCYDQ-QMMMGPOBSA-N 0 0 194.255 2.235 10 30 AEEERN C=CC(C)(C)C(=O)OC[C@@H]1C[C@H]1C 835107439 583095938 /nfs/dbraw/zinc/09/59/38/583095938.db2.gz DQKFMTURYASSAI-BDAKNGLRSA-N 0 0 182.263 2.398 10 30 AEEERN C=CC(C)(C)C(=O)OC[C@@H]1C[C@@H]1C 835107441 583096020 /nfs/dbraw/zinc/09/60/20/583096020.db2.gz DQKFMTURYASSAI-IUCAKERBSA-N 0 0 182.263 2.398 10 30 AEEERN C=CC(C)(C)C(=O)OC[C@H]1C[C@@H]1C 835107440 583096126 /nfs/dbraw/zinc/09/61/26/583096126.db2.gz DQKFMTURYASSAI-DTWKUNHWSA-N 0 0 182.263 2.398 10 30 AEEERN C=CC(C)(C)C(=O)OC[C@H]1C[C@H]1C 835107442 583096238 /nfs/dbraw/zinc/09/62/38/583096238.db2.gz DQKFMTURYASSAI-RKDXNWHRSA-N 0 0 182.263 2.398 10 30 AEEERN C#C[C@@H](C)OC(=O)C1=CC[C@H](C)CC1 835177123 583096600 /nfs/dbraw/zinc/09/66/00/583096600.db2.gz FPGMCNTZXMVVJD-VHSXEESVSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](C)OC(=O)C1=CC[C@@H](C)CC1 835177121 583096641 /nfs/dbraw/zinc/09/66/41/583096641.db2.gz FPGMCNTZXMVVJD-NXEZZACHSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@H](C)OC(=O)C1=CC[C@H](C)CC1 835177122 583096680 /nfs/dbraw/zinc/09/66/80/583096680.db2.gz FPGMCNTZXMVVJD-UWVGGRQHSA-N 0 0 192.258 2.298 10 30 AEEERN C#C[C@@H](C)OC(=O)CCCC(C)C 835176794 583096774 /nfs/dbraw/zinc/09/67/74/583096774.db2.gz BKRZQSBEYFLKET-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)c1cc(C)cs1 835177110 583096833 /nfs/dbraw/zinc/09/68/33/583096833.db2.gz FLIKFUOKQRCYDQ-MRVPVSSYSA-N 0 0 194.255 2.235 10 30 AEEERN C#C[C@H](C)OC(=O)C1=CC[C@@H](C)CC1 835177124 583096868 /nfs/dbraw/zinc/09/68/68/583096868.db2.gz FPGMCNTZXMVVJD-ZJUUUORDSA-N 0 0 192.258 2.298 10 30 AEEERN C=CC(C)(C)C(=O)OCCCCC#N 835159428 583096875 /nfs/dbraw/zinc/09/68/75/583096875.db2.gz IDIPMPRGEOTLAT-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C=C(CC)COC(=O)CCSC 835663353 583099532 /nfs/dbraw/zinc/09/95/32/583099532.db2.gz WQYMBJUOGAZLEK-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C#C[C@H](C)OC(=O)CCCC(C)C 835176793 583096923 /nfs/dbraw/zinc/09/69/23/583096923.db2.gz BKRZQSBEYFLKET-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN C=C(C)CCOC(=O)[C@H]1CC1(F)F 835188576 583097170 /nfs/dbraw/zinc/09/71/70/583097170.db2.gz DFKVZSBVDAOHAT-SSDOTTSWSA-N 0 0 190.189 2.151 10 30 AEEERN CC/C(C)=C/C(=O)O[C@H](C#N)CC 835210743 583097172 /nfs/dbraw/zinc/09/71/72/583097172.db2.gz AHWJVBNWBPTHSY-ORZBULNSSA-N 0 0 181.235 2.188 10 30 AEEERN C=C(C)CCOC(=O)c1ccsn1 835189150 583097203 /nfs/dbraw/zinc/09/72/03/583097203.db2.gz HFIFCZJAVQISKM-UHFFFAOYSA-N 0 0 197.259 2.266 10 30 AEEERN CC/C(C)=C/C(=O)O[C@@H](C#N)CC 835210741 583097280 /nfs/dbraw/zinc/09/72/80/583097280.db2.gz AHWJVBNWBPTHSY-BNICOGTQSA-N 0 0 181.235 2.188 10 30 AEEERN CC/C(C)=C\C(=O)O[C@H](C#N)CC 835210744 583097394 /nfs/dbraw/zinc/09/73/94/583097394.db2.gz AHWJVBNWBPTHSY-XZLDQRQTSA-N 0 0 181.235 2.188 10 30 AEEERN C=C(C)CCOC(=O)[C@@H]1CC1(F)F 835188747 583097460 /nfs/dbraw/zinc/09/74/60/583097460.db2.gz DFKVZSBVDAOHAT-ZETCQYMHSA-N 0 0 190.189 2.151 10 30 AEEERN CC/C(C)=C\C(=O)O[C@@H](C#N)CC 835210742 583097473 /nfs/dbraw/zinc/09/74/73/583097473.db2.gz AHWJVBNWBPTHSY-JGAIRUGNSA-N 0 0 181.235 2.188 10 30 AEEERN C=CC(C)(C)C(=O)OCCSC 835190193 583097545 /nfs/dbraw/zinc/09/75/45/583097545.db2.gz GDZFBTNHQSUIQD-UHFFFAOYSA-N 0 0 188.292 2.105 10 30 AEEERN CC#CCOC(=O)CCCC(C)C 835270790 583098196 /nfs/dbraw/zinc/09/81/96/583098196.db2.gz XHHZFPYEQCYVDK-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H]1CC1(F)F 835273495 583098208 /nfs/dbraw/zinc/09/82/08/583098208.db2.gz DVZDTADQSPIPRJ-NKWVEPMBSA-N 0 0 190.189 2.149 10 30 AEEERN C=C[C@H](CC)OC(=O)c1ccsn1 835273682 583098234 /nfs/dbraw/zinc/09/82/34/583098234.db2.gz GOONELXHWFOKPN-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1ccsn1 835273683 583098246 /nfs/dbraw/zinc/09/82/46/583098246.db2.gz GOONELXHWFOKPN-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H]1CC1(F)F 835273494 583098263 /nfs/dbraw/zinc/09/82/63/583098263.db2.gz DVZDTADQSPIPRJ-BQBZGAKWSA-N 0 0 190.189 2.149 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H]1CC1(F)F 835273496 583098266 /nfs/dbraw/zinc/09/82/66/583098266.db2.gz DVZDTADQSPIPRJ-RNFRBKRXSA-N 0 0 190.189 2.149 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H]1CC1(F)F 835273497 583098273 /nfs/dbraw/zinc/09/82/73/583098273.db2.gz DVZDTADQSPIPRJ-RQJHMYQMSA-N 0 0 190.189 2.149 10 30 AEEERN CC/C(C)=C/C(=O)OCC1(C#N)CC1 835414431 583098573 /nfs/dbraw/zinc/09/85/73/583098573.db2.gz DEDKPOWMRIPCFD-RMKNXTFCSA-N 0 0 193.246 2.190 10 30 AEEERN C=CC(C)(C)C(=O)OCC1(C#N)CC1 835414630 583098538 /nfs/dbraw/zinc/09/85/38/583098538.db2.gz HUUAPOZBMOQDFS-UHFFFAOYSA-N 0 0 193.246 2.046 10 30 AEEERN C=CC(C)(C)C(=O)O[C@@H](CC)CC#N 835338784 583098579 /nfs/dbraw/zinc/09/85/79/583098579.db2.gz AYMFFOJNFGCROZ-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN C=CC(C)(C)C(=O)O[C@H](CC)CC#N 835338783 583098726 /nfs/dbraw/zinc/09/87/26/583098726.db2.gz AYMFFOJNFGCROZ-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H]1C[C@H]1CC 835328178 583098816 /nfs/dbraw/zinc/09/88/16/583098816.db2.gz KXVVOOVDKMYVNU-IWSPIJDZSA-N 0 0 168.236 2.150 10 30 AEEERN CC/C(C)=C\C(=O)OCC1(C#N)CC1 835414432 583098839 /nfs/dbraw/zinc/09/88/39/583098839.db2.gz DEDKPOWMRIPCFD-TWGQIWQCSA-N 0 0 193.246 2.190 10 30 AEEERN C=CC(C)(C)C(=O)OCC1(F)CC1 835374160 583098902 /nfs/dbraw/zinc/09/89/02/583098902.db2.gz YIUKYSBRMFZMCZ-UHFFFAOYSA-N 0 0 186.226 2.244 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@H]1CC 835328177 583098920 /nfs/dbraw/zinc/09/89/20/583098920.db2.gz KXVVOOVDKMYVNU-DJLDLDEBSA-N 0 0 168.236 2.150 10 30 AEEERN C=CCCC(=O)OC[C@H](C)SC 835680691 583099215 /nfs/dbraw/zinc/09/92/15/583099215.db2.gz ICTDGSICIMBPEO-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=CCCC(=O)OC[C@@H](C)SC 835680689 583099253 /nfs/dbraw/zinc/09/92/53/583099253.db2.gz ICTDGSICIMBPEO-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C#CCCCC(=O)OC1CC2(CC2)C1 835726848 583099742 /nfs/dbraw/zinc/09/97/42/583099742.db2.gz LQNGFKJWHBNIPA-UHFFFAOYSA-N 0 0 192.258 2.276 10 30 AEEERN C=CC(C)(C)COC(=O)C1=COCC1 835723792 583099819 /nfs/dbraw/zinc/09/98/19/583099819.db2.gz BLKJLWHZNYEUAP-UHFFFAOYSA-N 0 0 196.246 2.046 10 30 AEEERN C=CC(C)(C)COC(=O)[C@@H]1C[C@H]1C 835722523 583099849 /nfs/dbraw/zinc/09/98/49/583099849.db2.gz FOZDCOSJDSYTPK-RKDXNWHRSA-N 0 0 182.263 2.398 10 30 AEEERN C=CC(C)(C)COC(=O)[C@@H]1C[C@@H]1C 835724059 583100128 /nfs/dbraw/zinc/10/01/28/583100128.db2.gz FOZDCOSJDSYTPK-DTWKUNHWSA-N 0 0 182.263 2.398 10 30 AEEERN C=CCCC(=O)OC1CC2(CC2)C1 835729925 583100173 /nfs/dbraw/zinc/10/01/73/583100173.db2.gz XVXLONVZSGHYCL-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN C=CC(C)(C)COC(=O)[C@H]1C[C@H]1C 835724057 583100182 /nfs/dbraw/zinc/10/01/82/583100182.db2.gz FOZDCOSJDSYTPK-BDAKNGLRSA-N 0 0 182.263 2.398 10 30 AEEERN C=CC(C)(C)COC(=O)[C@H]1C[C@@H]1C 835722521 583100236 /nfs/dbraw/zinc/10/02/36/583100236.db2.gz FOZDCOSJDSYTPK-IUCAKERBSA-N 0 0 182.263 2.398 10 30 AEEERN C=CCCC(=O)OCC(C)(C)C(C)=O 835913117 583100692 /nfs/dbraw/zinc/10/06/92/583100692.db2.gz MFTCARYQLRUJTO-UHFFFAOYSA-N 0 0 198.262 2.111 10 30 AEEERN CCC(=O)O[C@H]1CC[C@@](C)(C#N)CC1 836155481 583101498 /nfs/dbraw/zinc/10/14/98/583101498.db2.gz PCSZPBUNNYHLMR-JGZJWPJOSA-N 0 0 195.262 2.412 10 30 AEEERN CC(=O)O[C@H]1CC[C@@](C)(C#N)CC1 836161372 583101651 /nfs/dbraw/zinc/10/16/51/583101651.db2.gz XYEOOCHBRPKZNR-AOOOYVTPSA-N 0 0 181.235 2.022 10 30 AEEERN C=C(C)CCNC(=O)/C=C(/C)CC 836824385 583103698 /nfs/dbraw/zinc/10/36/98/583103698.db2.gz COEHRFPVFYQGMP-NTMALXAHSA-N 0 0 181.279 2.425 10 30 AEEERN C=C(C)CCNC(=O)/C=C(\C)CC 836824384 583103717 /nfs/dbraw/zinc/10/37/17/583103717.db2.gz COEHRFPVFYQGMP-CSKARUKUSA-N 0 0 181.279 2.425 10 30 AEEERN C=C(C)CCNC(=O)/C=C\C1CC1 836824356 583103740 /nfs/dbraw/zinc/10/37/40/583103740.db2.gz BNBXZUOQAVHFNU-WAYWQWQTSA-N 0 0 179.263 2.035 10 30 AEEERN C=CC(C)(C)CNC(=O)/C=C\C1CC1 836828613 583103991 /nfs/dbraw/zinc/10/39/91/583103991.db2.gz NBJNCDYZYGXQOM-FPLPWBNLSA-N 0 0 193.290 2.281 10 30 AEEERN C=C(C)CCNC(=O)/C=C/C1CC1 836824355 583104049 /nfs/dbraw/zinc/10/40/49/583104049.db2.gz BNBXZUOQAVHFNU-AATRIKPKSA-N 0 0 179.263 2.035 10 30 AEEERN C=CC(C)(C)CNC(=O)/C=C/C1CC1 836828611 583104075 /nfs/dbraw/zinc/10/40/75/583104075.db2.gz NBJNCDYZYGXQOM-BQYQJAHWSA-N 0 0 193.290 2.281 10 30 AEEERN C=CCN(C(=O)/C(F)=C/CC)C1CC1 867201598 583104536 /nfs/dbraw/zinc/10/45/36/583104536.db2.gz KZZHRTYYSVJMAS-YHYXMXQVSA-N 0 0 197.253 2.427 10 30 AEEERN C=CCN(C(=O)/C(F)=C\CC)C1CC1 867201597 583104828 /nfs/dbraw/zinc/10/48/28/583104828.db2.gz KZZHRTYYSVJMAS-BJMVGYQFSA-N 0 0 197.253 2.427 10 30 AEEERN C=CCONC(=O)[C@@H](C)CC(C)(C)C 837048026 583105373 /nfs/dbraw/zinc/10/53/73/583105373.db2.gz JADDOGLXKHNNHK-VIFPVBQESA-N 0 0 199.294 2.293 10 30 AEEERN C=CCONC(=O)CC(C)(C)CCC 837048019 583105615 /nfs/dbraw/zinc/10/56/15/583105615.db2.gz IWXINRLJBHUXCD-UHFFFAOYSA-N 0 0 199.294 2.437 10 30 AEEERN C=CCONC(=O)[C@H](C)CC(C)(C)C 837048025 583105701 /nfs/dbraw/zinc/10/57/01/583105701.db2.gz JADDOGLXKHNNHK-SECBINFHSA-N 0 0 199.294 2.293 10 30 AEEERN C=CCONC(=O)CC1(C)CCCC1 837049704 583105966 /nfs/dbraw/zinc/10/59/66/583105966.db2.gz OIILKVNCZUEALG-UHFFFAOYSA-N 0 0 197.278 2.191 10 30 AEEERN CC#CC(=O)N1C[C@H](CC)CC[C@@H]1C 837095482 583106087 /nfs/dbraw/zinc/10/60/87/583106087.db2.gz UTLOSMRZUWIEDR-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN C=CCONC(=O)C(C)(C)C(C)(C)C 837049375 583106110 /nfs/dbraw/zinc/10/61/10/583106110.db2.gz GOYSXHDSCVRQGW-UHFFFAOYSA-N 0 0 199.294 2.293 10 30 AEEERN C=C(CC)CNC(=O)C=C1CCC1 837098695 583106217 /nfs/dbraw/zinc/10/62/17/583106217.db2.gz AEDQPSBGSQNHSV-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN C=C(CC)CNC(=O)/C=C/C1CC1 837098890 583106265 /nfs/dbraw/zinc/10/62/65/583106265.db2.gz JOPDGPVRPWCHQI-VOTSOKGWSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCONC(=O)CCCC(C)C 837049344 583106288 /nfs/dbraw/zinc/10/62/88/583106288.db2.gz FGZCMRQVABCZSX-UHFFFAOYSA-N 0 0 185.267 2.047 10 30 AEEERN C=C(CC)CNC(=O)/C(C)=C\C 837098794 583106365 /nfs/dbraw/zinc/10/63/65/583106365.db2.gz DTJJZUKYXDNHIT-TWGQIWQCSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(CC)CNC(=O)/C=C\C1CC1 837098889 583106497 /nfs/dbraw/zinc/10/64/97/583106497.db2.gz JOPDGPVRPWCHQI-SREVYHEPSA-N 0 0 179.263 2.035 10 30 AEEERN C=C(CC)CNC(=O)/C(C)=C/C 837098793 583106570 /nfs/dbraw/zinc/10/65/70/583106570.db2.gz DTJJZUKYXDNHIT-RMKNXTFCSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(CC)CNC(=O)/C=C(\C)CC 837100834 583106975 /nfs/dbraw/zinc/10/69/75/583106975.db2.gz HOWWNXAVVXHYEV-VQHVLOKHSA-N 0 0 181.279 2.425 10 30 AEEERN C=CCCCC(=O)N1CC(CC)C1 837261075 583107064 /nfs/dbraw/zinc/10/70/64/583107064.db2.gz GKFZXXLKRRSCEC-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(CC)CNC(=O)/C=C(/C)CC 837100832 583107170 /nfs/dbraw/zinc/10/71/70/583107170.db2.gz HOWWNXAVVXHYEV-CLFYSBASSA-N 0 0 181.279 2.425 10 30 AEEERN CN(C(=O)C#CC1CC1)c1ccccc1 837305092 583107522 /nfs/dbraw/zinc/10/75/22/583107522.db2.gz FUURXEJLOXJEER-UHFFFAOYSA-N 0 0 199.253 2.063 10 30 AEEERN CCN(C(=O)C#CC(C)(C)C)C(C)C 837357620 583108288 /nfs/dbraw/zinc/10/82/88/583108288.db2.gz HQBSSNQTAXPBKO-UHFFFAOYSA-N 0 0 195.306 2.293 10 30 AEEERN CC(C)(C)C#CC(=O)N1CCC1(C)C 837429062 583108767 /nfs/dbraw/zinc/10/87/67/583108767.db2.gz DMURNQLOSXRDON-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN CCC(C)(CC)NC(=O)C#CC1CC1 837415563 583108840 /nfs/dbraw/zinc/10/88/40/583108840.db2.gz BSVKXNAZOGYQJR-UHFFFAOYSA-N 0 0 193.290 2.095 10 30 AEEERN CC[C@H]1CCN1C(=O)C#CC(C)(C)C 837669114 583109268 /nfs/dbraw/zinc/10/92/68/583109268.db2.gz RKPRFCHZCLOBCV-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN CC[C@@H]1CCN1C(=O)C#CC(C)(C)C 837669116 583109285 /nfs/dbraw/zinc/10/92/85/583109285.db2.gz RKPRFCHZCLOBCV-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C=CC(C)(C)C(=O)OC/C=C\Cl 837861457 583109508 /nfs/dbraw/zinc/10/95/08/583109508.db2.gz BWWFMXAIYSNASN-WAYWQWQTSA-N 0 0 188.654 2.494 10 30 AEEERN CC(C)C[C@@H]1C[C@H]1C(=O)O[C@@H](C)C#N 837973391 583109603 /nfs/dbraw/zinc/10/96/03/583109603.db2.gz BKPFZAGQQTTWDX-IVZWLZJFSA-N 0 0 195.262 2.124 10 30 AEEERN C=C(Cl)COC(=O)[C@@H]1C[C@H]1CC 837981867 583109625 /nfs/dbraw/zinc/10/96/25/583109625.db2.gz ZLTNMDWRTJATTJ-HTQZYQBOSA-N 0 0 188.654 2.328 10 30 AEEERN CC(C)C[C@@H]1C[C@H]1C(=O)O[C@H](C)C#N 837973393 583109627 /nfs/dbraw/zinc/10/96/27/583109627.db2.gz BKPFZAGQQTTWDX-OPRDCNLKSA-N 0 0 195.262 2.124 10 30 AEEERN CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)C#N 837847565 583109724 /nfs/dbraw/zinc/10/97/24/583109724.db2.gz GPVOIYJERCUBFV-OPRDCNLKSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)CCCC(=O)O[C@@H](C)C#N 837826142 583109727 /nfs/dbraw/zinc/10/97/27/583109727.db2.gz FTJPZKHTRZUVSS-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN C=CC(C)(C)C(=O)OCC(=C)Cl 837864715 583109759 /nfs/dbraw/zinc/10/97/59/583109759.db2.gz HMSLKAZWHCXKRJ-UHFFFAOYSA-N 0 0 188.654 2.494 10 30 AEEERN CC(C)CCCC(=O)O[C@H](C)C#N 837826092 583109766 /nfs/dbraw/zinc/10/97/66/583109766.db2.gz FTJPZKHTRZUVSS-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)C#N 837847564 583109829 /nfs/dbraw/zinc/10/98/29/583109829.db2.gz GPVOIYJERCUBFV-IVZWLZJFSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)C#N 837847562 583109911 /nfs/dbraw/zinc/10/99/11/583109911.db2.gz GPVOIYJERCUBFV-BBBLOLIVSA-N 0 0 195.262 2.268 10 30 AEEERN C=CC(C)(C)C(=O)OC/C=C/Cl 837861456 583109923 /nfs/dbraw/zinc/10/99/23/583109923.db2.gz BWWFMXAIYSNASN-AATRIKPKSA-N 0 0 188.654 2.494 10 30 AEEERN CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)C#N 837847561 583109930 /nfs/dbraw/zinc/10/99/30/583109930.db2.gz GPVOIYJERCUBFV-AEJSXWLSSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCCOC(=O)/C=C/OCC 840584908 583110144 /nfs/dbraw/zinc/11/01/44/583110144.db2.gz LXGIEGSKNCQERW-VQHVLOKHSA-N 0 0 184.235 2.046 10 30 AEEERN C=CCCCCOC(=O)/C=C/OCC 840586415 583110179 /nfs/dbraw/zinc/11/01/79/583110179.db2.gz DKYSOAGYLVLCPH-CSKARUKUSA-N 0 0 198.262 2.436 10 30 AEEERN CC#CC(=O)N(CC)C1CC(C)(C)C1 840539235 583110308 /nfs/dbraw/zinc/11/03/08/583110308.db2.gz XKXKNVRPNAIDFS-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C=CCCCCOC(=O)/C=C\OCC 840586416 583110407 /nfs/dbraw/zinc/11/04/07/583110407.db2.gz DKYSOAGYLVLCPH-NTMALXAHSA-N 0 0 198.262 2.436 10 30 AEEERN C=CCCCOC(=O)/C=C\OCC 840584907 583110435 /nfs/dbraw/zinc/11/04/35/583110435.db2.gz LXGIEGSKNCQERW-CLFYSBASSA-N 0 0 184.235 2.046 10 30 AEEERN C=C(C)CCOC(=O)/C=C/OCC 840586835 583110575 /nfs/dbraw/zinc/11/05/75/583110575.db2.gz GNSZNAIYINWTEA-VOTSOKGWSA-N 0 0 184.235 2.046 10 30 AEEERN C=C(C)CCOC(=O)/C=C\OCC 840586834 583110639 /nfs/dbraw/zinc/11/06/39/583110639.db2.gz GNSZNAIYINWTEA-SREVYHEPSA-N 0 0 184.235 2.046 10 30 AEEERN C#CCN(Cc1ccoc1C)C1CC1 840938391 583111284 /nfs/dbraw/zinc/11/12/84/583111284.db2.gz CYYFCGJKQABWKQ-UHFFFAOYSA-N 0 0 189.258 2.186 10 30 AEEERN C=C(C)CN(C)C(=O)/C(F)=C/CC 867254663 583113236 /nfs/dbraw/zinc/11/32/36/583113236.db2.gz RNDWXCDYWYQFRB-TWGQIWQCSA-N 0 0 185.242 2.284 10 30 AEEERN C=C(C)CN(C)C(=O)/C(F)=C\CC 867254661 583113475 /nfs/dbraw/zinc/11/34/75/583113475.db2.gz RNDWXCDYWYQFRB-RMKNXTFCSA-N 0 0 185.242 2.284 10 30 AEEERN C[C@H](CC#N)NN=C1CCC[C@@H]2C[C@H]12 841634104 583115224 /nfs/dbraw/zinc/11/52/24/583115224.db2.gz WBMHUNPTMVMMHS-BBBLOLIVSA-N 0 0 191.278 2.054 10 30 AEEERN CCCNN=C(CC)[C@@H]1C[C@H]1C 841618840 583114815 /nfs/dbraw/zinc/11/48/15/583114815.db2.gz IAAHOJZKIGFYPM-RKDXNWHRSA-N 0 0 168.284 2.408 10 30 AEEERN CCCNN=C(CC)[C@@H]1C[C@@H]1C 841618838 583114978 /nfs/dbraw/zinc/11/49/78/583114978.db2.gz IAAHOJZKIGFYPM-DTWKUNHWSA-N 0 0 168.284 2.408 10 30 AEEERN CCCNN=C(CC)[C@H]1C[C@@H]1C 841618839 583115006 /nfs/dbraw/zinc/11/50/06/583115006.db2.gz IAAHOJZKIGFYPM-IUCAKERBSA-N 0 0 168.284 2.408 10 30 AEEERN CCC(=NOC)[C@H]1CC1(C)C 841617982 583115190 /nfs/dbraw/zinc/11/51/90/583115190.db2.gz ARCJVHYOGCKJOE-SSDOTTSWSA-N 0 0 155.241 2.445 10 30 AEEERN C(CC[C@H]1CCO1)=NOCCC1CC1 841641473 583115209 /nfs/dbraw/zinc/11/52/09/583115209.db2.gz WCFXHMOKNVRTDW-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN COCCON=C(C)CCCCC#N 841627775 583115292 /nfs/dbraw/zinc/11/52/92/583115292.db2.gz CALNGJYFIUVPCB-UHFFFAOYSA-N 0 0 198.266 2.109 10 30 AEEERN CCON=C(C)[C@@H]1CC1(F)F 841615605 583115302 /nfs/dbraw/zinc/11/53/02/583115302.db2.gz CUZHFUSZYDRRFJ-LURJTMIESA-N 0 0 163.167 2.054 10 30 AEEERN CC(=NNCC(C)C)[C@H]1CC1(F)F 841631669 583115305 /nfs/dbraw/zinc/11/53/05/583115305.db2.gz QFDNOKRSHAWTQT-MRVPVSSYSA-N 0 0 190.237 2.263 10 30 AEEERN CCCNN=C(CC)[C@H]1C[C@H]1C 841618830 583115341 /nfs/dbraw/zinc/11/53/41/583115341.db2.gz IAAHOJZKIGFYPM-BDAKNGLRSA-N 0 0 168.284 2.408 10 30 AEEERN CCCCNN=C(C)[C@H]1CC1(F)F 841620505 583115354 /nfs/dbraw/zinc/11/53/54/583115354.db2.gz WZXNULKOYZHUSM-MRVPVSSYSA-N 0 0 190.237 2.407 10 30 AEEERN CON=C(C)CCCCC#N 841618004 583115384 /nfs/dbraw/zinc/11/53/84/583115384.db2.gz BMZCURZWWLMKMS-UHFFFAOYSA-N 0 0 154.213 2.093 10 30 AEEERN CC(=NNCC(C)C)[C@@H]1CC1(F)F 841631670 583115448 /nfs/dbraw/zinc/11/54/48/583115448.db2.gz QFDNOKRSHAWTQT-QMMMGPOBSA-N 0 0 190.237 2.263 10 30 AEEERN CCC(=NOC)[C@@H]1CC1(C)C 841617983 583115513 /nfs/dbraw/zinc/11/55/13/583115513.db2.gz ARCJVHYOGCKJOE-ZETCQYMHSA-N 0 0 155.241 2.445 10 30 AEEERN CCCCNN=C(C)[C@@H]1CC1(F)F 841620506 583115606 /nfs/dbraw/zinc/11/56/06/583115606.db2.gz WZXNULKOYZHUSM-QMMMGPOBSA-N 0 0 190.237 2.407 10 30 AEEERN CCON=C(C)[C@H]1CC1(F)F 841615606 583115625 /nfs/dbraw/zinc/11/56/25/583115625.db2.gz CUZHFUSZYDRRFJ-ZCFIWIBFSA-N 0 0 163.167 2.054 10 30 AEEERN CCC(=NOCCCOC)[C@@H]1C[C@H]1C 841636573 583115886 /nfs/dbraw/zinc/11/58/86/583115886.db2.gz ASYFBFWODGWHJQ-NXEZZACHSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@@H](C)NN=C(C)[C@@H]1CC1(F)F 841638092 583115891 /nfs/dbraw/zinc/11/58/91/583115891.db2.gz NNLDFYFJMYXFMF-SVRRBLITSA-N 0 0 190.237 2.406 10 30 AEEERN C=C(C)CNN=C1CCC[C@@H]2C[C@H]12 841638646 583115907 /nfs/dbraw/zinc/11/59/07/583115907.db2.gz FZWMQQWZQCIONC-ZJUUUORDSA-N 0 0 178.279 2.328 10 30 AEEERN CCC(=NOCCCOC)[C@@H]1C[C@@H]1C 841636577 583115924 /nfs/dbraw/zinc/11/59/24/583115924.db2.gz ASYFBFWODGWHJQ-VHSXEESVSA-N 0 0 199.294 2.462 10 30 AEEERN CC(C)CON=CCC[C@H]1CCO1 841634067 583115927 /nfs/dbraw/zinc/11/59/27/583115927.db2.gz VGFCVAFSELRXJQ-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN CC(=NOCC(F)F)[C@@H]1CC1(F)F 841631459 583115937 /nfs/dbraw/zinc/11/59/37/583115937.db2.gz GKCILXOMAMNQFG-YFKPBYRVSA-N 0 0 199.147 2.299 10 30 AEEERN C#CCON=C(C)CCCCC#N 841638301 583115993 /nfs/dbraw/zinc/11/59/93/583115993.db2.gz BAXLORGYADLQHN-UHFFFAOYSA-N 0 0 178.235 2.096 10 30 AEEERN C=CCNN=C(CC)[C@H]1C[C@H]1C 841637517 583116117 /nfs/dbraw/zinc/11/61/17/583116117.db2.gz IERVXSGAGWJZIU-BDAKNGLRSA-N 0 0 166.268 2.184 10 30 AEEERN CCC(=NOCCCOC)[C@H]1C[C@@H]1C 841636575 583116125 /nfs/dbraw/zinc/11/61/25/583116125.db2.gz ASYFBFWODGWHJQ-UWVGGRQHSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@H](C)NN=C(C)[C@@H]1CC1(F)F 841638093 583116131 /nfs/dbraw/zinc/11/61/31/583116131.db2.gz NNLDFYFJMYXFMF-XPUUQOCRSA-N 0 0 190.237 2.406 10 30 AEEERN C=CCNN=C(CC)[C@@H]1C[C@@H]1C 841637518 583116138 /nfs/dbraw/zinc/11/61/38/583116138.db2.gz IERVXSGAGWJZIU-DTWKUNHWSA-N 0 0 166.268 2.184 10 30 AEEERN C#CCON=C1CCc2cccc(C)c21 841638960 583116147 /nfs/dbraw/zinc/11/61/47/583116147.db2.gz IAUUXGUFKYCUIB-UHFFFAOYSA-N 0 0 199.253 2.295 10 30 AEEERN CCC(=NOCCCOC)[C@H]1C[C@H]1C 841636580 583116164 /nfs/dbraw/zinc/11/61/64/583116164.db2.gz ASYFBFWODGWHJQ-ZJUUUORDSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@H](C)NN=C(C)[C@H]1CC1(F)F 841638091 583116173 /nfs/dbraw/zinc/11/61/73/583116173.db2.gz NNLDFYFJMYXFMF-POYBYMJQSA-N 0 0 190.237 2.406 10 30 AEEERN C=CCNN=C(CC)[C@H]1C[C@@H]1C 841637520 583116218 /nfs/dbraw/zinc/11/62/18/583116218.db2.gz IERVXSGAGWJZIU-IUCAKERBSA-N 0 0 166.268 2.184 10 30 AEEERN CC[C@@H](C)NN=C(C)[C@H]1CC1(F)F 841638090 583116249 /nfs/dbraw/zinc/11/62/49/583116249.db2.gz NNLDFYFJMYXFMF-HTRCEHHLSA-N 0 0 190.237 2.406 10 30 AEEERN C=C(C)CNN=C(C)[C@@H]1CC1(F)F 841638777 583116297 /nfs/dbraw/zinc/11/62/97/583116297.db2.gz HAGHQCHDKBSNHX-QMMMGPOBSA-N 0 0 188.221 2.183 10 30 AEEERN CC(C)CON=CCC[C@@H]1CCO1 841634068 583116333 /nfs/dbraw/zinc/11/63/33/583116333.db2.gz VGFCVAFSELRXJQ-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN C=CCNN=C(CC)[C@@H]1C[C@H]1C 841637521 583116372 /nfs/dbraw/zinc/11/63/72/583116372.db2.gz IERVXSGAGWJZIU-RKDXNWHRSA-N 0 0 166.268 2.184 10 30 AEEERN CC(=NOCC(F)F)[C@H]1CC1(F)F 841631456 583116392 /nfs/dbraw/zinc/11/63/92/583116392.db2.gz GKCILXOMAMNQFG-RXMQYKEDSA-N 0 0 199.147 2.299 10 30 AEEERN C=C(C)CNN=C(C)[C@H]1CC1(F)F 841638772 583116399 /nfs/dbraw/zinc/11/63/99/583116399.db2.gz HAGHQCHDKBSNHX-MRVPVSSYSA-N 0 0 188.221 2.183 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC[C@@H]2C[C@H]12 841634103 583116407 /nfs/dbraw/zinc/11/64/07/583116407.db2.gz WBMHUNPTMVMMHS-AEJSXWLSSA-N 0 0 191.278 2.054 10 30 AEEERN Cc1cc(C=NOC2CCCC2)no1 841630463 583116411 /nfs/dbraw/zinc/11/64/11/583116411.db2.gz FPWMQHOMHOGRBC-UHFFFAOYSA-N 0 0 194.234 2.276 10 30 AEEERN CC(=NOC(C)C)[C@H]1CC1(F)F 841640233 583116549 /nfs/dbraw/zinc/11/65/49/583116549.db2.gz DLKVXJAKVJDDTF-SSDOTTSWSA-N 0 0 177.194 2.443 10 30 AEEERN Cc1occc1C=NOC(C)C 841640004 583116721 /nfs/dbraw/zinc/11/67/21/583116721.db2.gz BRUURWFRLXAILI-UHFFFAOYSA-N 0 0 167.208 2.347 10 30 AEEERN C(CC[C@@H]1CCO1)=NOCCC1CC1 841641472 583116803 /nfs/dbraw/zinc/11/68/03/583116803.db2.gz WCFXHMOKNVRTDW-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN C(CC[C@@H]1CCO1)=NOC1CCC1 841639463 583116858 /nfs/dbraw/zinc/11/68/58/583116858.db2.gz RLTULVIZYXFPKP-SECBINFHSA-N 0 0 183.251 2.110 10 30 AEEERN CC(=NOC(C)C)[C@@H]1CC1(F)F 841640239 583116997 /nfs/dbraw/zinc/11/69/97/583116997.db2.gz DLKVXJAKVJDDTF-ZETCQYMHSA-N 0 0 177.194 2.443 10 30 AEEERN C(CC[C@H]1CCO1)=NOC1CCC1 841639464 583117022 /nfs/dbraw/zinc/11/70/22/583117022.db2.gz RLTULVIZYXFPKP-VIFPVBQESA-N 0 0 183.251 2.110 10 30 AEEERN N#CC1(CNCc2ccoc2)CCC1 841897653 583119263 /nfs/dbraw/zinc/11/92/63/583119263.db2.gz HPPYHKIFYHEQSY-UHFFFAOYSA-N 0 0 190.246 2.063 10 30 AEEERN COC1(CON=C2CCC2)CCC1 842030566 583119752 /nfs/dbraw/zinc/11/97/52/583119752.db2.gz FJCARJBPAQDKKP-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN C1CC(=NOCCC2CCOCC2)C1 842030286 583119958 /nfs/dbraw/zinc/11/99/58/583119958.db2.gz AEPSTMLMTABMRT-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN Cc1ccncc1CON=C1CCC1 842031153 583120136 /nfs/dbraw/zinc/12/01/36/583120136.db2.gz PUAYZRLEQROLQH-UHFFFAOYSA-N 0 0 190.246 2.447 10 30 AEEERN c1nc(CCON=C2CCC2)cs1 842030584 583120214 /nfs/dbraw/zinc/12/02/14/583120214.db2.gz GJRFTSGEWLBQCO-UHFFFAOYSA-N 0 0 196.275 2.242 10 30 AEEERN C#CCCOc1ccccc1COC 842097726 583120590 /nfs/dbraw/zinc/12/05/90/583120590.db2.gz IBICZVCVOBYDCC-UHFFFAOYSA-N 0 0 190.242 2.235 10 30 AEEERN C=C(C)CCONC(=O)CC(C)(C)C 842060765 583121095 /nfs/dbraw/zinc/12/10/95/583121095.db2.gz DZMBGBIBESBWSF-UHFFFAOYSA-N 0 0 199.294 2.437 10 30 AEEERN CCCON=C(C)Cc1ccncc1 842088545 583121112 /nfs/dbraw/zinc/12/11/12/583121112.db2.gz CPMKUBYHFKFOBV-UHFFFAOYSA-N 0 0 192.262 2.427 10 30 AEEERN C=CCOCCSCC(=C)C 842174439 583121638 /nfs/dbraw/zinc/12/16/38/583121638.db2.gz HZPRDNLCJCLTEF-UHFFFAOYSA-N 0 0 172.293 2.498 10 30 AEEERN C=CCOCCSCc1ccno1 842174228 583122277 /nfs/dbraw/zinc/12/22/77/583122277.db2.gz CMJQHAZDNWLZIP-UHFFFAOYSA-N 0 0 199.275 2.110 10 30 AEEERN C=CCSCc1nn(CC)nc1C 842172272 583122588 /nfs/dbraw/zinc/12/25/88/583122588.db2.gz CINXPXZPFBRUHW-UHFFFAOYSA-N 0 0 197.307 2.026 10 30 AEEERN C=CCOCCSCC=C 842172602 583122652 /nfs/dbraw/zinc/12/26/52/583122652.db2.gz FXJLCOXWXIWIRX-UHFFFAOYSA-N 0 0 158.266 2.108 10 30 AEEERN C=CCOCCSC(C)C 842170769 583122755 /nfs/dbraw/zinc/12/27/55/583122755.db2.gz BUDBFRBNQYBXMG-UHFFFAOYSA-N 0 0 160.282 2.331 10 30 AEEERN C#C[C@@H](OC(=O)CC)c1ccccc1 842390732 583123450 /nfs/dbraw/zinc/12/34/50/583123450.db2.gz ACBCDGBUXPBONT-LLVKDONJSA-N 0 0 188.226 2.314 10 30 AEEERN C=CCCC(=O)OCCc1ccco1 842452054 583123618 /nfs/dbraw/zinc/12/36/18/583123618.db2.gz XKIWSQMMDOZOTA-UHFFFAOYSA-N 0 0 194.230 2.332 10 30 AEEERN CCON=C1C[C@H]2C=C[C@@H]1CC2 842524518 583123952 /nfs/dbraw/zinc/12/39/52/583123952.db2.gz CZIHUWKGMHQRNL-DTWKUNHWSA-N 0 0 165.236 2.365 10 30 AEEERN CCCNN=C1C[C@H]2C=C[C@@H]1CC2 842524180 583124250 /nfs/dbraw/zinc/12/42/50/583124250.db2.gz MYCMLMNWGCGPNJ-VHSXEESVSA-N 0 0 178.279 2.328 10 30 AEEERN CON=C[C@@H]1C[C@@H]2C=C[C@H]1CC2 842525750 583124348 /nfs/dbraw/zinc/12/43/48/583124348.db2.gz VTLXGTFWHMXLCT-UTLUCORTSA-N 0 0 165.236 2.221 10 30 AEEERN CON=C(CC(C)C)c1ccncc1 842524721 583124439 /nfs/dbraw/zinc/12/44/39/583124439.db2.gz GNQWBCJVONHAOI-UHFFFAOYSA-N 0 0 192.262 2.478 10 30 AEEERN C1=C[C@@H]2CC[C@H]1CC2=NNC1CC1 842530305 583124763 /nfs/dbraw/zinc/12/47/63/583124763.db2.gz RPSCWBQGCKERHU-DTWKUNHWSA-N 0 0 176.263 2.081 10 30 AEEERN C=C(C)CNN=C1C[C@H]2C=C[C@@H]1CC2 842533023 583124765 /nfs/dbraw/zinc/12/47/65/583124765.db2.gz JYPAAIVRNGGHOD-WDEREUQCSA-N 0 0 190.290 2.494 10 30 AEEERN C=CCNN=C1C[C@H]2C=C[C@@H]1CC2 842533976 583124918 /nfs/dbraw/zinc/12/49/18/583124918.db2.gz XYAKQRQXBJVLSW-VHSXEESVSA-N 0 0 176.263 2.104 10 30 AEEERN CC(=NNC12CC(C1)C2)c1ccoc1 842545289 583125369 /nfs/dbraw/zinc/12/53/69/583125369.db2.gz AFUUFPILLMSCPW-UHFFFAOYSA-N 0 0 190.246 2.146 10 30 AEEERN C1CSCC(=NNC23CC(C2)C3)C1 842543871 583125389 /nfs/dbraw/zinc/12/53/89/583125389.db2.gz MTFKPXQVEJTPAK-UHFFFAOYSA-N 0 0 196.319 2.012 10 30 AEEERN CC(=NNC12CC(C1)C2)C1CCC1 842545305 583125537 /nfs/dbraw/zinc/12/55/37/583125537.db2.gz AWSRJBPBYYRDOH-UHFFFAOYSA-N 0 0 178.279 2.305 10 30 AEEERN C[C@@H]1SCCC1=NNC12CC(C1)C2 842544223 583125558 /nfs/dbraw/zinc/12/55/58/583125558.db2.gz QVJQCQIRWNZJOP-JEUQWKINSA-N 0 0 196.319 2.010 10 30 AEEERN C[C@@H]1CCC(=NNC23CC(C2)C3)C1 842543141 583125568 /nfs/dbraw/zinc/12/55/68/583125568.db2.gz DDXQRKYOWDJEHA-FKTRJACZSA-N 0 0 178.279 2.305 10 30 AEEERN C[C@H]1CCC(=NNC23CC(C2)C3)C1 842543142 583125684 /nfs/dbraw/zinc/12/56/84/583125684.db2.gz DDXQRKYOWDJEHA-SILCLGDVSA-N 0 0 178.279 2.305 10 30 AEEERN CS[C@@H]1CCC1=NNC12CC(C1)C2 842543910 583125712 /nfs/dbraw/zinc/12/57/12/583125712.db2.gz NTIFVTPOEZDQDK-HDDMYIMNSA-N 0 0 196.319 2.010 10 30 AEEERN CS[C@H]1CCC1=NNC12CC(C1)C2 842543912 583125817 /nfs/dbraw/zinc/12/58/17/583125817.db2.gz NTIFVTPOEZDQDK-ZAJCDATESA-N 0 0 196.319 2.010 10 30 AEEERN Cc1occc1C=NNC12CC(C1)C2 842544487 583125854 /nfs/dbraw/zinc/12/58/54/583125854.db2.gz UBABVBIKECALTE-UHFFFAOYSA-N 0 0 190.246 2.064 10 30 AEEERN C[C@H]1SCCC1=NNC12CC(C1)C2 842544225 583125881 /nfs/dbraw/zinc/12/58/81/583125881.db2.gz QVJQCQIRWNZJOP-ZNFPMYQNSA-N 0 0 196.319 2.010 10 30 AEEERN C(=NNC12CC(C1)C2)c1cccs1 842547977 583126072 /nfs/dbraw/zinc/12/60/72/583126072.db2.gz BQVDGDNREFYDCI-UHFFFAOYSA-N 0 0 192.287 2.224 10 30 AEEERN C1CCC(=NNC23CC(C2)C3)CC1 842546908 583126076 /nfs/dbraw/zinc/12/60/76/583126076.db2.gz FHTXOWCIKQQTSH-UHFFFAOYSA-N 0 0 178.279 2.449 10 30 AEEERN C1CCC(N=NC23CC(C2)C3)C1 842548450 583126104 /nfs/dbraw/zinc/12/61/04/583126104.db2.gz VLSGKDOMEFIYQO-UHFFFAOYSA-N 0 0 164.252 2.059 10 30 AEEERN C1=CC[C@@H](C=NNC23CC(C2)C3)CC1 842547212 583126139 /nfs/dbraw/zinc/12/61/39/583126139.db2.gz JRQBHNOFTNWFCC-VOMCLLRMSA-N 0 0 190.290 2.471 10 30 AEEERN C1CC2(C1)CC(=NNC13CC(C1)C3)C2 842545530 583126151 /nfs/dbraw/zinc/12/61/51/583126151.db2.gz HJVOQSVMIAVDRH-UHFFFAOYSA-N 0 0 190.290 2.449 10 30 AEEERN C(=NNC12CC(C1)C2)c1ccccc1 842547982 583126164 /nfs/dbraw/zinc/12/61/64/583126164.db2.gz BWPOKVPFAQXYCH-UHFFFAOYSA-N 0 0 186.258 2.163 10 30 AEEERN CCCON=C[C@H]1CC1(F)F 842550821 583126181 /nfs/dbraw/zinc/12/61/81/583126181.db2.gz LBZXAPOHJQZBIK-ZCFIWIBFSA-N 0 0 163.167 2.054 10 30 AEEERN CC(CC1CC1)=NNC12CC(C1)C2 842546470 583126206 /nfs/dbraw/zinc/12/62/06/583126206.db2.gz TZZXKBQIWBUGIT-UHFFFAOYSA-N 0 0 178.279 2.305 10 30 AEEERN CCCON=Cc1ncc(CC)s1 842550263 583126211 /nfs/dbraw/zinc/12/62/11/583126211.db2.gz CCHKADWBXKHKHC-UHFFFAOYSA-N 0 0 198.291 2.466 10 30 AEEERN CC(=NNC12CC(C1)C2)c1ccco1 842547059 583126258 /nfs/dbraw/zinc/12/62/58/583126258.db2.gz GVPCDNLVEYCYCP-UHFFFAOYSA-N 0 0 190.246 2.146 10 30 AEEERN CCCON=C[C@@H]1CC1(F)F 842550820 583126269 /nfs/dbraw/zinc/12/62/69/583126269.db2.gz LBZXAPOHJQZBIK-LURJTMIESA-N 0 0 163.167 2.054 10 30 AEEERN C[C@H]1CCCC1=NNC12CC(C1)C2 842546335 583126270 /nfs/dbraw/zinc/12/62/70/583126270.db2.gz IPFRFOOGEGYTRH-SILCLGDVSA-N 0 0 178.279 2.305 10 30 AEEERN CCCON=C(C)c1ccnc(F)c1 842550512 583126277 /nfs/dbraw/zinc/12/62/77/583126277.db2.gz HHZWQBFTQXINGE-UHFFFAOYSA-N 0 0 196.225 2.371 10 30 AEEERN CC1C=C(N=NC23CC(C2)C3)CC1 842548416 583126281 /nfs/dbraw/zinc/12/62/81/583126281.db2.gz UBEQRXWTRSYSAL-UHFFFAOYSA-N 0 0 176.263 2.225 10 30 AEEERN CCCON=C[C@H](CCC)OC 842550550 583126284 /nfs/dbraw/zinc/12/62/84/583126284.db2.gz HXUCJHJUVCPPLM-VIFPVBQESA-N 0 0 173.256 2.214 10 30 AEEERN CCC(=NNC12CC(C1)C2)C1CC1 842546592 583126319 /nfs/dbraw/zinc/12/63/19/583126319.db2.gz MFJHHYHALXNEDQ-UHFFFAOYSA-N 0 0 178.279 2.305 10 30 AEEERN CC1(C)CCC1=NNC12CC(C1)C2 842546284 583126330 /nfs/dbraw/zinc/12/63/30/583126330.db2.gz HAGGNGVJCZBOQS-UHFFFAOYSA-N 0 0 178.279 2.305 10 30 AEEERN C1CC2(C1)CCC2N=NC12CC(C1)C2 842547116 583126364 /nfs/dbraw/zinc/12/63/64/583126364.db2.gz ONXFWTXWHHCLBG-UHFFFAOYSA-N 0 0 190.290 2.449 10 30 AEEERN Cc1ccc(C=NNC23CC(C2)C3)o1 842548008 583126425 /nfs/dbraw/zinc/12/64/25/583126425.db2.gz DGVZSPFISDNMPW-UHFFFAOYSA-N 0 0 190.246 2.064 10 30 AEEERN CCCON=Cc1oc(C)nc1C 842550841 583126427 /nfs/dbraw/zinc/12/64/27/583126427.db2.gz LISLGXQGROPWFM-UHFFFAOYSA-N 0 0 182.223 2.052 10 30 AEEERN C1=CC[C@H](C=NNC23CC(C2)C3)CC1 842547211 583126490 /nfs/dbraw/zinc/12/64/90/583126490.db2.gz JRQBHNOFTNWFCC-UNXYVOJBSA-N 0 0 190.290 2.471 10 30 AEEERN CCCON=C1C[C@H](OC)C12CCC2 842551348 583126501 /nfs/dbraw/zinc/12/65/01/583126501.db2.gz BTSZROUTCQQPNI-JTQLQIEISA-N 0 0 197.278 2.358 10 30 AEEERN Cc1ccoc1C=NNC12CC(C1)C2 842545936 583126526 /nfs/dbraw/zinc/12/65/26/583126526.db2.gz OAZWNCCIAFASSS-UHFFFAOYSA-N 0 0 190.246 2.064 10 30 AEEERN CC[C@H]1CCC1=NNC12CC(C1)C2 842546300 583126529 /nfs/dbraw/zinc/12/65/29/583126529.db2.gz HJIPOJCYPBPEOH-YUCVTWSNSA-N 0 0 178.279 2.305 10 30 AEEERN CCCON=C[C@@H](CCC)OC 842550548 583126544 /nfs/dbraw/zinc/12/65/44/583126544.db2.gz HXUCJHJUVCPPLM-SECBINFHSA-N 0 0 173.256 2.214 10 30 AEEERN CCC(CC)=NNC12CC(C1)C2 842546853 583126578 /nfs/dbraw/zinc/12/65/78/583126578.db2.gz DMRAQMGMXHMMOS-UHFFFAOYSA-N 0 0 166.268 2.305 10 30 AEEERN C(=NNC12CC(C1)C2)c1ccsc1 842547868 583126594 /nfs/dbraw/zinc/12/65/94/583126594.db2.gz ZYFUJUHPYVZSDS-UHFFFAOYSA-N 0 0 192.287 2.224 10 30 AEEERN C[C@@H]1CCCC1=NNC12CC(C1)C2 842546332 583126606 /nfs/dbraw/zinc/12/66/06/583126606.db2.gz IPFRFOOGEGYTRH-FKTRJACZSA-N 0 0 178.279 2.305 10 30 AEEERN CCCON=CCC(F)(F)F 842551215 583126625 /nfs/dbraw/zinc/12/66/25/583126625.db2.gz BAXYDNLLOQPARY-UHFFFAOYSA-N 0 0 169.146 2.351 10 30 AEEERN CC[C@@H]1CCC1=NNC12CC(C1)C2 842546298 583126673 /nfs/dbraw/zinc/12/66/73/583126673.db2.gz HJIPOJCYPBPEOH-INWMGODYSA-N 0 0 178.279 2.305 10 30 AEEERN CCCON=C1C[C@H](C)[C@@H]1C 842552030 583126740 /nfs/dbraw/zinc/12/67/40/583126740.db2.gz XCRJGRPRKPIMTM-YUMQZZPRSA-N 0 0 155.241 2.445 10 30 AEEERN CCCON=Cc1cnc(CC)s1 842555613 583126748 /nfs/dbraw/zinc/12/67/48/583126748.db2.gz DFIZORRNIWLESB-UHFFFAOYSA-N 0 0 198.291 2.466 10 30 AEEERN CCCON=Cc1ccccc1C#N 842551701 583126852 /nfs/dbraw/zinc/12/68/52/583126852.db2.gz BWWQFTFTALZVOR-UHFFFAOYSA-N 0 0 188.230 2.319 10 30 AEEERN CCCON=C1CC[C@H]1SC 842555922 583126867 /nfs/dbraw/zinc/12/68/67/583126867.db2.gz PJHGQKKDWYIISU-MRVPVSSYSA-N 0 0 173.281 2.294 10 30 AEEERN CCCON=C1CC[C@@H]1SC 842555925 583126893 /nfs/dbraw/zinc/12/68/93/583126893.db2.gz PJHGQKKDWYIISU-QMMMGPOBSA-N 0 0 173.281 2.294 10 30 AEEERN CCCON=Cc1ccc(F)nc1C 842555051 583126906 /nfs/dbraw/zinc/12/69/06/583126906.db2.gz SIMCYRISNKFVPH-UHFFFAOYSA-N 0 0 196.225 2.290 10 30 AEEERN CCCON=C(C)[C@H]1CC1(F)F 842554774 583126932 /nfs/dbraw/zinc/12/69/32/583126932.db2.gz METZUEUWRJIIMQ-SSDOTTSWSA-N 0 0 177.194 2.444 10 30 AEEERN CCCON=C1C[C@@H](C)[C@H]1C 842552024 583126997 /nfs/dbraw/zinc/12/69/97/583126997.db2.gz XCRJGRPRKPIMTM-HTQZYQBOSA-N 0 0 155.241 2.445 10 30 AEEERN CCCON=CCC[C@H]1CCOC1 842555471 583127009 /nfs/dbraw/zinc/12/70/09/583127009.db2.gz WXSBHLCSEZKGCU-JTQLQIEISA-N 0 0 185.267 2.216 10 30 AEEERN CCCON=C(C)[C@@H]1CC1(F)F 842554777 583127118 /nfs/dbraw/zinc/12/71/18/583127118.db2.gz METZUEUWRJIIMQ-ZETCQYMHSA-N 0 0 177.194 2.444 10 30 AEEERN CCCON=C1C[C@@H](OC)C12CCC2 842551350 583127179 /nfs/dbraw/zinc/12/71/79/583127179.db2.gz BTSZROUTCQQPNI-SNVBAGLBSA-N 0 0 197.278 2.358 10 30 AEEERN CCCON=Cc1ccoc1 842556142 583127308 /nfs/dbraw/zinc/12/73/08/583127308.db2.gz HDFUIGSTFXPMJQ-UHFFFAOYSA-N 0 0 153.181 2.040 10 30 AEEERN CCCON=C1C[C@@H](C)[C@@H]1C 842552027 583127317 /nfs/dbraw/zinc/12/73/17/583127317.db2.gz XCRJGRPRKPIMTM-SFYZADRCSA-N 0 0 155.241 2.445 10 30 AEEERN CCCON=C1C[C@H](C)[C@H]1C 842552025 583127389 /nfs/dbraw/zinc/12/73/89/583127389.db2.gz XCRJGRPRKPIMTM-JGVFFNPUSA-N 0 0 155.241 2.445 10 30 AEEERN CCCON=Cc1cnc(C)s1 842556177 583127398 /nfs/dbraw/zinc/12/73/98/583127398.db2.gz IDGWCMQYJSTICM-UHFFFAOYSA-N 0 0 184.264 2.212 10 30 AEEERN CCCON=CCC[C@@H]1CCOC1 842555472 583127446 /nfs/dbraw/zinc/12/74/46/583127446.db2.gz WXSBHLCSEZKGCU-SNVBAGLBSA-N 0 0 185.267 2.216 10 30 AEEERN CCCON=C(C)c1cccnc1 842565233 583127600 /nfs/dbraw/zinc/12/76/00/583127600.db2.gz FEOKNYMFXIKBTR-UHFFFAOYSA-N 0 0 178.235 2.232 10 30 AEEERN CCCON=C(C)C(C)C 842565313 583127703 /nfs/dbraw/zinc/12/77/03/583127703.db2.gz FEYLDOLMIUJRMJ-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN CCCON=Cc1ccc(OC)cc1 842565014 583127673 /nfs/dbraw/zinc/12/76/73/583127673.db2.gz AHGBKXWFBWDZDS-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN CCCON=C1CCSCC1 842565413 583127684 /nfs/dbraw/zinc/12/76/84/583127684.db2.gz HDSRVPVRXIKJAM-UHFFFAOYSA-N 0 0 173.281 2.296 10 30 AEEERN CCCON=C1CCCC1 842565213 583127720 /nfs/dbraw/zinc/12/77/20/583127720.db2.gz DORMWJUVXOUKAM-UHFFFAOYSA-N 0 0 141.214 2.343 10 30 AEEERN C1CC(=NOCCC[C@@H]2CCOC2)C1 842647790 583127779 /nfs/dbraw/zinc/12/77/79/583127779.db2.gz FSXFHRPEXQMFPA-SNVBAGLBSA-N 0 0 197.278 2.360 10 30 AEEERN CCCON=Cc1cnn(CCC)c1 842557687 583127914 /nfs/dbraw/zinc/12/79/14/583127914.db2.gz QEURLGBWSWODBZ-UHFFFAOYSA-N 0 0 195.266 2.054 10 30 AEEERN CCCON=C(C)c1ccncc1 842565394 583128099 /nfs/dbraw/zinc/12/80/99/583128099.db2.gz GQAUNXWUSOBOSU-UHFFFAOYSA-N 0 0 178.235 2.232 10 30 AEEERN CCCON=Cc1cccc(O)c1 842565019 583128100 /nfs/dbraw/zinc/12/81/00/583128100.db2.gz AMTOQZRRIPJNKZ-UHFFFAOYSA-N 0 0 179.219 2.153 10 30 AEEERN CCCON=Cc1c(C)noc1C 842565013 583128125 /nfs/dbraw/zinc/12/81/25/583128125.db2.gz AGCRLDSUKCQNOM-UHFFFAOYSA-N 0 0 182.223 2.052 10 30 AEEERN C1CC(=NOCCC[C@H]2CCOC2)C1 842647789 583128226 /nfs/dbraw/zinc/12/82/26/583128226.db2.gz FSXFHRPEXQMFPA-JTQLQIEISA-N 0 0 197.278 2.360 10 30 AEEERN CCCON=Cc1cccc(OC)c1 842565010 583128228 /nfs/dbraw/zinc/12/82/28/583128228.db2.gz ADVIYCOFCURGOZ-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN C#CC[C@@H](OC(=O)C1(F)CC1)C(C)C 842728258 583128384 /nfs/dbraw/zinc/12/83/84/583128384.db2.gz CXXDQVYRKVOXHY-SECBINFHSA-N 0 0 198.237 2.080 10 30 AEEERN C#CC[C@H](OC(=O)C1(F)CC1)C(C)C 842728260 583128659 /nfs/dbraw/zinc/12/86/59/583128659.db2.gz CXXDQVYRKVOXHY-VIFPVBQESA-N 0 0 198.237 2.080 10 30 AEEERN CC#CCCCCOC(=O)C1(F)CC1 842765064 583129181 /nfs/dbraw/zinc/12/91/81/583129181.db2.gz UFJHMJMOBDDENO-UHFFFAOYSA-N 0 0 198.237 2.225 10 30 AEEERN C#CCC(C)(C)COC(=O)C1(F)CC1 842752215 583129271 /nfs/dbraw/zinc/12/92/71/583129271.db2.gz URGCUNAVHZURCF-UHFFFAOYSA-N 0 0 198.237 2.081 10 30 AEEERN C#CCCCCCOC(=O)C1(F)CC1 842751515 583129435 /nfs/dbraw/zinc/12/94/35/583129435.db2.gz DPXSICAWDICURP-UHFFFAOYSA-N 0 0 198.237 2.225 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(C(F)F)CC1 842768881 583129659 /nfs/dbraw/zinc/12/96/59/583129659.db2.gz XLFWKLLIQOJKFV-ZCFIWIBFSA-N 0 0 190.189 2.149 10 30 AEEERN C=C[C@H](C)OC(=O)C1(C(F)F)CC1 842768880 583129692 /nfs/dbraw/zinc/12/96/92/583129692.db2.gz XLFWKLLIQOJKFV-LURJTMIESA-N 0 0 190.189 2.149 10 30 AEEERN CC(C)(C)C#CCOC(=O)C1(F)CC1 842786562 583129711 /nfs/dbraw/zinc/12/97/11/583129711.db2.gz CJIOLHDLMRHPSK-UHFFFAOYSA-N 0 0 198.237 2.081 10 30 AEEERN C=CC(C)(C)COC(=O)C1(F)CC1 842809871 583129729 /nfs/dbraw/zinc/12/97/29/583129729.db2.gz CCDLZAXWPIGNRS-UHFFFAOYSA-N 0 0 186.226 2.244 10 30 AEEERN CC/C=C(/F)C(=O)N[C@@H](CC)CC#N 843515117 583133545 /nfs/dbraw/zinc/13/35/45/583133545.db2.gz ZGLAZGHBBJRYHR-MOIHINDBSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(\F)C(=O)N[C@@H](CC)CC#N 843515115 583133827 /nfs/dbraw/zinc/13/38/27/583133827.db2.gz ZGLAZGHBBJRYHR-HXOPTJOXSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(/F)C(=O)N[C@H](CC)CC#N 843515111 583133885 /nfs/dbraw/zinc/13/38/85/583133885.db2.gz ZGLAZGHBBJRYHR-CBVZUMJXSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(\F)C(=O)N[C@H](CC)CC#N 843515113 583134006 /nfs/dbraw/zinc/13/40/06/583134006.db2.gz ZGLAZGHBBJRYHR-CPJBWDMUSA-N 0 0 198.241 2.058 10 30 AEEERN C=CCCC[C@@H](C)NC(=O)C1(F)CC1 843574760 583134283 /nfs/dbraw/zinc/13/42/83/583134283.db2.gz WAYNSNJVTANIQS-SECBINFHSA-N 0 0 199.269 2.350 10 30 AEEERN C=C[C@@H]1CCCCN1C(=O)C1(F)CC1 843586221 583134341 /nfs/dbraw/zinc/13/43/41/583134341.db2.gz OXQAHQYPGHZANB-SECBINFHSA-N 0 0 197.253 2.056 10 30 AEEERN C=CCN(C)C(=O)/C=C\C1CCCC1 843580748 583134546 /nfs/dbraw/zinc/13/45/46/583134546.db2.gz HBYLZRVGQOBYTF-HJWRWDBZSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCN(C)C(=O)/C=C/C1CCCC1 843580746 583134558 /nfs/dbraw/zinc/13/45/58/583134558.db2.gz HBYLZRVGQOBYTF-CMDGGOBGSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCC(C)(C)CNC(=O)C1(F)CC1 843598026 583134597 /nfs/dbraw/zinc/13/45/97/583134597.db2.gz OGSAPELUJDJNSJ-UHFFFAOYSA-N 0 0 199.269 2.207 10 30 AEEERN C=C[C@H]1CCCCN1C(=O)C1(F)CC1 843586223 583134699 /nfs/dbraw/zinc/13/46/99/583134699.db2.gz OXQAHQYPGHZANB-VIFPVBQESA-N 0 0 197.253 2.056 10 30 AEEERN C=CCCC[C@H](C)NC(=O)C1(F)CC1 843574761 583134745 /nfs/dbraw/zinc/13/47/45/583134745.db2.gz WAYNSNJVTANIQS-VIFPVBQESA-N 0 0 199.269 2.350 10 30 AEEERN C#CC[C@H]1CCCN(C(=O)CCC)C1 843680938 583134902 /nfs/dbraw/zinc/13/49/02/583134902.db2.gz GAMALXMIJLRFFG-NSHDSACASA-N 0 0 193.290 2.048 10 30 AEEERN C#CC[C@@H]1CCCN(C(=O)CCC)C1 843680937 583135128 /nfs/dbraw/zinc/13/51/28/583135128.db2.gz GAMALXMIJLRFFG-LLVKDONJSA-N 0 0 193.290 2.048 10 30 AEEERN CN(C(=O)C#CC(C)(C)C)C(C)(C)C 844090630 583139267 /nfs/dbraw/zinc/13/92/67/583139267.db2.gz CDKQHOOTRSDLBS-UHFFFAOYSA-N 0 0 195.306 2.293 10 30 AEEERN C=C(C)c1cnc2c(c1)CC[C@H]2O 844235113 583140079 /nfs/dbraw/zinc/14/00/79/583140079.db2.gz XOVPLXDDAQUBPK-SNVBAGLBSA-N 0 0 175.231 2.094 10 30 AEEERN C=C(C)c1cnc2c(c1)CC[C@@H]2O 844235112 583140106 /nfs/dbraw/zinc/14/01/06/583140106.db2.gz XOVPLXDDAQUBPK-JTQLQIEISA-N 0 0 175.231 2.094 10 30 AEEERN CC#CCN(C)c1ccc(OC)cc1 844352757 583140440 /nfs/dbraw/zinc/14/04/40/583140440.db2.gz GLIXAYUDUOIQMQ-UHFFFAOYSA-N 0 0 189.258 2.155 10 30 AEEERN CCC(CC)NN=Cc1ccns1 844583317 583142393 /nfs/dbraw/zinc/14/23/93/583142393.db2.gz CEBJIDVFWPVENC-UHFFFAOYSA-N 0 0 197.307 2.255 10 30 AEEERN C=CC[C@@H]1CCC(=NOC)C1 844574532 583142577 /nfs/dbraw/zinc/14/25/77/583142577.db2.gz KQBFSZQKKUBRNM-MRVPVSSYSA-N 0 0 153.225 2.365 10 30 AEEERN C(=NOC1CCC1)c1ccns1 844595647 583142776 /nfs/dbraw/zinc/14/27/76/583142776.db2.gz CQECJPRARHTTPF-UHFFFAOYSA-N 0 0 182.248 2.046 10 30 AEEERN C=CC[C@H]1CCC(=NOC)C1 844574533 583142904 /nfs/dbraw/zinc/14/29/04/583142904.db2.gz KQBFSZQKKUBRNM-QMMMGPOBSA-N 0 0 153.225 2.365 10 30 AEEERN CCC(CC)N=NC1CO[C@H](C)[C@H]1C 844584787 583143191 /nfs/dbraw/zinc/14/31/91/583143191.db2.gz YPNMNDOHUSMQAX-RKDXNWHRSA-N 0 0 198.310 2.175 10 30 AEEERN C[C@H]1C(=NOC2CCCC2)CO[C@@H]1C 844590442 583143236 /nfs/dbraw/zinc/14/32/36/583143236.db2.gz SPUJISFAOZUGJM-RKDXNWHRSA-N 0 0 197.278 2.356 10 30 AEEERN CC(C)CON=Cc1ccns1 844589685 583143275 /nfs/dbraw/zinc/14/32/75/583143275.db2.gz OXDGHRSLEXJHSV-UHFFFAOYSA-N 0 0 184.264 2.150 10 30 AEEERN CCC(CC)N=NC1CO[C@@H](C)[C@@H]1C 844584786 583143400 /nfs/dbraw/zinc/14/34/00/583143400.db2.gz YPNMNDOHUSMQAX-IUCAKERBSA-N 0 0 198.310 2.175 10 30 AEEERN C=CC[C@@H]1CCC(N=NC2CC2)C1 844592498 583143517 /nfs/dbraw/zinc/14/35/17/583143517.db2.gz FVQAFELIKDZEBB-SECBINFHSA-N 0 0 178.279 2.471 10 30 AEEERN CC(C)CON=C1CO[C@@H](C)[C@@H]1C 844590558 583143522 /nfs/dbraw/zinc/14/35/22/583143522.db2.gz WVYSJQDUUKLNBH-IUCAKERBSA-N 0 0 185.267 2.070 10 30 AEEERN CC(C)CON=C1CO[C@H](C)[C@H]1C 844590560 583143552 /nfs/dbraw/zinc/14/35/52/583143552.db2.gz WVYSJQDUUKLNBH-RKDXNWHRSA-N 0 0 185.267 2.070 10 30 AEEERN CCC(CC)N=NC1CO[C@@H](C)[C@H]1C 844584784 583143579 /nfs/dbraw/zinc/14/35/79/583143579.db2.gz YPNMNDOHUSMQAX-BDAKNGLRSA-N 0 0 198.310 2.175 10 30 AEEERN C=CC[C@@H]1CCC(=NOCCOC)C1 844583553 583143623 /nfs/dbraw/zinc/14/36/23/583143623.db2.gz CORAPBVWADITJB-SNVBAGLBSA-N 0 0 197.278 2.382 10 30 AEEERN C[C@@H]1OCC(=NOC2CCCC2)[C@H]1C 844590440 583143630 /nfs/dbraw/zinc/14/36/30/583143630.db2.gz SPUJISFAOZUGJM-IUCAKERBSA-N 0 0 197.278 2.356 10 30 AEEERN C=CC[C@H]1CCC(=NOCCOC)C1 844583552 583143633 /nfs/dbraw/zinc/14/36/33/583143633.db2.gz CORAPBVWADITJB-JTQLQIEISA-N 0 0 197.278 2.382 10 30 AEEERN COCC(CC(C)(C)C)=NOC 844575399 583143668 /nfs/dbraw/zinc/14/36/68/583143668.db2.gz CJNCJUIUGFFDKG-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN C(=NNC1CCCC1)c1ccns1 844582140 583143672 /nfs/dbraw/zinc/14/36/72/583143672.db2.gz FAAZYDCJAGYAQF-UHFFFAOYSA-N 0 0 195.291 2.009 10 30 AEEERN C[C@H]1OCC(=NOC2CCCC2)[C@H]1C 844590438 583143689 /nfs/dbraw/zinc/14/36/89/583143689.db2.gz SPUJISFAOZUGJM-DTWKUNHWSA-N 0 0 197.278 2.356 10 30 AEEERN C=CC[C@H]1CCC(=NNC2CC2)C1 844592500 583143697 /nfs/dbraw/zinc/14/36/97/583143697.db2.gz FVQAFELIKDZEBB-VIFPVBQESA-N 0 0 178.279 2.471 10 30 AEEERN CC(C)CON=C1CO[C@H](C)[C@@H]1C 844590556 583143706 /nfs/dbraw/zinc/14/37/06/583143706.db2.gz WVYSJQDUUKLNBH-DTWKUNHWSA-N 0 0 185.267 2.070 10 30 AEEERN CC(C)CON=C1CO[C@@H](C)[C@H]1C 844590554 583143714 /nfs/dbraw/zinc/14/37/14/583143714.db2.gz WVYSJQDUUKLNBH-BDAKNGLRSA-N 0 0 185.267 2.070 10 30 AEEERN CCC(CC)N=NC1CO[C@H](C)[C@@H]1C 844584785 583143720 /nfs/dbraw/zinc/14/37/20/583143720.db2.gz YPNMNDOHUSMQAX-DTWKUNHWSA-N 0 0 198.310 2.175 10 30 AEEERN C[C@@H]1OCC(=NOC2CCCC2)[C@@H]1C 844590436 583143730 /nfs/dbraw/zinc/14/37/30/583143730.db2.gz SPUJISFAOZUGJM-BDAKNGLRSA-N 0 0 197.278 2.356 10 30 AEEERN CCON=C(COC)CC(C)(C)C 844575619 583143747 /nfs/dbraw/zinc/14/37/47/583143747.db2.gz GWUODLQNOJKCBQ-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN C#CCNN=C1CCC[C@]1(C)CC 844599728 583143883 /nfs/dbraw/zinc/14/38/83/583143883.db2.gz ADCNQIATGYTATO-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN C[C@@H]1OCC(=NOCCC2CC2)[C@H]1C 844598736 583143900 /nfs/dbraw/zinc/14/39/00/583143900.db2.gz SLXMPPBJSLRIIQ-IUCAKERBSA-N 0 0 197.278 2.214 10 30 AEEERN C=C(C)CON=Cc1cccnc1C 844616854 583143913 /nfs/dbraw/zinc/14/39/13/583143913.db2.gz FONOAZQMCMEKSR-UHFFFAOYSA-N 0 0 190.246 2.317 10 30 AEEERN CC[C@H](C)CON=C1CO[C@H](C)[C@H]1C 844596652 583143989 /nfs/dbraw/zinc/14/39/89/583143989.db2.gz AOEYSOCJFPFSKT-IVZWLZJFSA-N 0 0 199.294 2.460 10 30 AEEERN CC[C@H](C)CON=C1CO[C@@H](C)[C@H]1C 844596646 583144023 /nfs/dbraw/zinc/14/40/23/583144023.db2.gz AOEYSOCJFPFSKT-AEJSXWLSSA-N 0 0 199.294 2.460 10 30 AEEERN C[C@H]1OCC(=NOCCC2CC2)[C@H]1C 844598735 583144036 /nfs/dbraw/zinc/14/40/36/583144036.db2.gz SLXMPPBJSLRIIQ-DTWKUNHWSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1OCC(=NOCCC2CC2)[C@@H]1C 844598734 583144062 /nfs/dbraw/zinc/14/40/62/583144062.db2.gz SLXMPPBJSLRIIQ-BDAKNGLRSA-N 0 0 197.278 2.214 10 30 AEEERN C=C(C)CON=C(C)c1ccccn1 844614547 583144087 /nfs/dbraw/zinc/14/40/87/583144087.db2.gz GTHSEFIVWJNQKQ-UHFFFAOYSA-N 0 0 190.246 2.398 10 30 AEEERN CC[C@H](C)CON=C1CO[C@@H](C)[C@@H]1C 844596649 583144173 /nfs/dbraw/zinc/14/41/73/583144173.db2.gz AOEYSOCJFPFSKT-GUBZILKMSA-N 0 0 199.294 2.460 10 30 AEEERN C=CCNN=C1CC[C@@H](CC=C)C1 844596330 583144204 /nfs/dbraw/zinc/14/42/04/583144204.db2.gz PBUUUFIPRSHVBZ-SNVBAGLBSA-N 0 0 178.279 2.494 10 30 AEEERN C[C@H]1C(=NOCCC2CC2)CO[C@@H]1C 844598737 583144271 /nfs/dbraw/zinc/14/42/71/583144271.db2.gz SLXMPPBJSLRIIQ-RKDXNWHRSA-N 0 0 197.278 2.214 10 30 AEEERN C=CCNN=C1CC[C@H](CC=C)C1 844596329 583144273 /nfs/dbraw/zinc/14/42/73/583144273.db2.gz PBUUUFIPRSHVBZ-JTQLQIEISA-N 0 0 178.279 2.494 10 30 AEEERN C=C(C)CON=C(C)CCCOC 844618423 583144282 /nfs/dbraw/zinc/14/42/82/583144282.db2.gz AGCHOWBKAUVFBR-UHFFFAOYSA-N 0 0 185.267 2.382 10 30 AEEERN CC[C@H](C)CON=C1CO[C@H](C)[C@@H]1C 844596654 583144310 /nfs/dbraw/zinc/14/43/10/583144310.db2.gz AOEYSOCJFPFSKT-LPEHRKFASA-N 0 0 199.294 2.460 10 30 AEEERN C(=NOCCC1CC1)c1ccns1 844598795 583144311 /nfs/dbraw/zinc/14/43/11/583144311.db2.gz VHPJCGQBECAWFN-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN C#CCON=C1CC[C@@H](CC=C)C1 844598336 583144319 /nfs/dbraw/zinc/14/43/19/583144319.db2.gz XENUCKMOANSSOX-SNVBAGLBSA-N 0 0 177.247 2.368 10 30 AEEERN C#CCON=C1CC[C@H](CC=C)C1 844598334 583144321 /nfs/dbraw/zinc/14/43/21/583144321.db2.gz XENUCKMOANSSOX-JTQLQIEISA-N 0 0 177.247 2.368 10 30 AEEERN C#CCNN=C1CCC[C@@]1(C)CC 844599727 583144334 /nfs/dbraw/zinc/14/43/34/583144334.db2.gz ADCNQIATGYTATO-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN C=C(C)CON=CCC[C@H]1CCOC1 844617794 583144596 /nfs/dbraw/zinc/14/45/96/583144596.db2.gz CKILVGZCZPTMEP-NSHDSACASA-N 0 0 197.278 2.382 10 30 AEEERN C=C(C)CON=Cc1ccc(C)nc1 844617733 583144618 /nfs/dbraw/zinc/14/46/18/583144618.db2.gz AGVQGSIOORWXEW-UHFFFAOYSA-N 0 0 190.246 2.317 10 30 AEEERN C=C(C)CON=CC1(SC)CC1 844618015 583144630 /nfs/dbraw/zinc/14/46/30/583144630.db2.gz GTEGYJZDPNSSAF-UHFFFAOYSA-N 0 0 185.292 2.461 10 30 AEEERN C=C(C)CON=C(C)c1cncs1 844618709 583144661 /nfs/dbraw/zinc/14/46/61/583144661.db2.gz FQBDWJZFODIOJC-UHFFFAOYSA-N 0 0 196.275 2.460 10 30 AEEERN C=C(C)CON=C[C@@H]1C[C@@H]1C 844618738 583144696 /nfs/dbraw/zinc/14/46/96/583144696.db2.gz GFAVSDVDKAYWMS-IUCAKERBSA-N 0 0 153.225 2.221 10 30 AEEERN C=C(C)CON=CC1(C)CCOCC1 844618133 583144893 /nfs/dbraw/zinc/14/48/93/583144893.db2.gz IWBUYTFGYAXGJW-UHFFFAOYSA-N 0 0 197.278 2.382 10 30 AEEERN C=C(C)CON=C[C@H]1CCSC1 844617978 583144939 /nfs/dbraw/zinc/14/49/39/583144939.db2.gz GEPFGTYFALOEHB-SECBINFHSA-N 0 0 185.292 2.318 10 30 AEEERN C=C(C)CON=C[C@H]1C[C@@H]1C 844618737 583144948 /nfs/dbraw/zinc/14/49/48/583144948.db2.gz GFAVSDVDKAYWMS-DTWKUNHWSA-N 0 0 153.225 2.221 10 30 AEEERN C=C(C)CON=C1CC(OCC)C1 844619456 583144952 /nfs/dbraw/zinc/14/49/52/583144952.db2.gz FHGQTXIKTIWEPX-UHFFFAOYSA-N 0 0 183.251 2.134 10 30 AEEERN C=C(C)CON=C(C)C[C@H]1CCOC1 844618421 583144955 /nfs/dbraw/zinc/14/49/55/583144955.db2.gz AFAJSZGQGOKPHL-LLVKDONJSA-N 0 0 197.278 2.382 10 30 AEEERN C=C(C)CON=C(C)COC(C)C 844617795 583144979 /nfs/dbraw/zinc/14/49/79/583144979.db2.gz CKLLCDGWAHOKIB-UHFFFAOYSA-N 0 0 185.267 2.380 10 30 AEEERN C=C(C)CON=CC1(F)CC1 844617773 583144995 /nfs/dbraw/zinc/14/49/95/583144995.db2.gz BGACDGMBGXDXHX-UHFFFAOYSA-N 0 0 157.188 2.067 10 30 AEEERN C=C(C)CON=C[C@H]1C[C@H]1C 844618739 583145009 /nfs/dbraw/zinc/14/50/09/583145009.db2.gz GFAVSDVDKAYWMS-RKDXNWHRSA-N 0 0 153.225 2.221 10 30 AEEERN C=C(C)CON=CCC[C@@H]1CCOC1 844617793 583145034 /nfs/dbraw/zinc/14/50/34/583145034.db2.gz CKILVGZCZPTMEP-LLVKDONJSA-N 0 0 197.278 2.382 10 30 AEEERN C=C(C)CON=C[C@@H]1CCSC1 844617979 583145040 /nfs/dbraw/zinc/14/50/40/583145040.db2.gz GEPFGTYFALOEHB-VIFPVBQESA-N 0 0 185.292 2.318 10 30 AEEERN C=C(C)CON=Cc1cncs1 844618450 583145050 /nfs/dbraw/zinc/14/50/50/583145050.db2.gz ASPSTKIJMQASCN-UHFFFAOYSA-N 0 0 182.248 2.070 10 30 AEEERN C=C(C)CON=C(C)C[C@@H]1CCOC1 844618422 583145056 /nfs/dbraw/zinc/14/50/56/583145056.db2.gz AFAJSZGQGOKPHL-NSHDSACASA-N 0 0 197.278 2.382 10 30 AEEERN C=C(C)CON=CCCSC 844618470 583145076 /nfs/dbraw/zinc/14/50/76/583145076.db2.gz BWFBSQIHCADJCF-UHFFFAOYSA-N 0 0 173.281 2.318 10 30 AEEERN C=C(C)CON=C[C@@H]1C[C@H]1C 844618736 583145105 /nfs/dbraw/zinc/14/51/05/583145105.db2.gz GFAVSDVDKAYWMS-BDAKNGLRSA-N 0 0 153.225 2.221 10 30 AEEERN C=C(C)CON=C(C)C1CCOCC1 844618501 583145161 /nfs/dbraw/zinc/14/51/61/583145161.db2.gz CQMUTOSRHPTLEB-UHFFFAOYSA-N 0 0 197.278 2.382 10 30 AEEERN C=C[C@H](C)ON=C1CC(OCC)C1 844619612 583145327 /nfs/dbraw/zinc/14/53/27/583145327.db2.gz BRGIUNCPMXVPLO-PEHGTWAWSA-N 0 0 183.251 2.132 10 30 AEEERN C=C(C)CON=C1C[C@H](C)O[C@H]1C 844619481 583145314 /nfs/dbraw/zinc/14/53/14/583145314.db2.gz FWHHNKJQWBDGKT-IUCAKERBSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=C1CC(OCC)C1 844619610 583145377 /nfs/dbraw/zinc/14/53/77/583145377.db2.gz BRGIUNCPMXVPLO-HNHGDDPOSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@H](C)ON=C1COC(C)(C)C1 844619727 583145380 /nfs/dbraw/zinc/14/53/80/583145380.db2.gz CLAJHEKPWKWKRR-QMMMGPOBSA-N 0 0 183.251 2.132 10 30 AEEERN C=C(C)CON=C1CCCSC1 844619676 583145391 /nfs/dbraw/zinc/14/53/91/583145391.db2.gz JBSMWKJHCQTBGW-UHFFFAOYSA-N 0 0 185.292 2.462 10 30 AEEERN C=C(C)CON=Cc1ccns1 844620207 583145393 /nfs/dbraw/zinc/14/53/93/583145393.db2.gz HYCWGQULHJEXDM-UHFFFAOYSA-N 0 0 182.248 2.070 10 30 AEEERN C=C[C@H](C)ON=C1CC[C@H]1SC 844619881 583145398 /nfs/dbraw/zinc/14/53/98/583145398.db2.gz FJSBNLSMHJGZSO-IONNQARKSA-N 0 0 185.292 2.459 10 30 AEEERN C=C(C)CON=C1CCS[C@H]1C 844619600 583145426 /nfs/dbraw/zinc/14/54/26/583145426.db2.gz HSJPOSJTIOAKPX-QMMMGPOBSA-N 0 0 185.292 2.461 10 30 AEEERN C=C(C)CON=C1CSC[C@@H]1C 844619474 583145428 /nfs/dbraw/zinc/14/54/28/583145428.db2.gz FQJZTIPVVCYDGY-QMMMGPOBSA-N 0 0 185.292 2.318 10 30 AEEERN C=C(C)CON=C1C[C@@H](C)O[C@@H]1C 844619482 583145516 /nfs/dbraw/zinc/14/55/16/583145516.db2.gz FWHHNKJQWBDGKT-RKDXNWHRSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=C[C@@H]1CC1(F)F 844619554 583145524 /nfs/dbraw/zinc/14/55/24/583145524.db2.gz ASNBCBLEKQAEIU-RQJHMYQMSA-N 0 0 175.178 2.219 10 30 AEEERN C=C(C)CON=C1C[C@H](C)O[C@@H]1C 844619480 583145530 /nfs/dbraw/zinc/14/55/30/583145530.db2.gz FWHHNKJQWBDGKT-DTWKUNHWSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@H](C)ON=C1CC[C@@H]1SC 844619880 583145535 /nfs/dbraw/zinc/14/55/35/583145535.db2.gz FJSBNLSMHJGZSO-CBAPKCEASA-N 0 0 185.292 2.459 10 30 AEEERN C=C(C)CON=C1C[C@@H](C)O[C@H]1C 844619479 583145536 /nfs/dbraw/zinc/14/55/36/583145536.db2.gz FWHHNKJQWBDGKT-BDAKNGLRSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=C1CC[C@@H]1SC 844619879 583145544 /nfs/dbraw/zinc/14/55/44/583145544.db2.gz FJSBNLSMHJGZSO-APPZFPTMSA-N 0 0 185.292 2.459 10 30 AEEERN C=C[C@@H](C)ON=C1CCCSC1 844620182 583145552 /nfs/dbraw/zinc/14/55/52/583145552.db2.gz HOLMUIRDEQQAAQ-MRVPVSSYSA-N 0 0 185.292 2.461 10 30 AEEERN C=C(C)CON=C[C@H]1CC1(F)F 844619616 583145579 /nfs/dbraw/zinc/14/55/79/583145579.db2.gz HXRSIVCNKMGWGQ-SSDOTTSWSA-N 0 0 175.178 2.220 10 30 AEEERN C=C(C)CON=C1CC(C)C1 844619545 583145581 /nfs/dbraw/zinc/14/55/81/583145581.db2.gz HHBAOBTYTUIOIM-UHFFFAOYSA-N 0 0 153.225 2.365 10 30 AEEERN C=C(C)CON=C1CSC[C@H]1C 844619473 583145618 /nfs/dbraw/zinc/14/56/18/583145618.db2.gz FQJZTIPVVCYDGY-MRVPVSSYSA-N 0 0 185.292 2.318 10 30 AEEERN C=C[C@@H](C)ON=C1CC[C@H]1SC 844619882 583145622 /nfs/dbraw/zinc/14/56/22/583145622.db2.gz FJSBNLSMHJGZSO-VXNVDRBHSA-N 0 0 185.292 2.459 10 30 AEEERN C=C[C@H](C)ON=C1CCCSC1 844620184 583145638 /nfs/dbraw/zinc/14/56/38/583145638.db2.gz HOLMUIRDEQQAAQ-QMMMGPOBSA-N 0 0 185.292 2.461 10 30 AEEERN C=C[C@H](C)ON=C[C@H]1CC1(F)F 844619551 583145641 /nfs/dbraw/zinc/14/56/41/583145641.db2.gz ASNBCBLEKQAEIU-NKWVEPMBSA-N 0 0 175.178 2.219 10 30 AEEERN C=C[C@@H](C)ON=C[C@H]1CC1(F)F 844619553 583145645 /nfs/dbraw/zinc/14/56/45/583145645.db2.gz ASNBCBLEKQAEIU-RNFRBKRXSA-N 0 0 175.178 2.219 10 30 AEEERN C=C(C)CON=C[C@@H]1CC1(F)F 844619617 583145662 /nfs/dbraw/zinc/14/56/62/583145662.db2.gz HXRSIVCNKMGWGQ-ZETCQYMHSA-N 0 0 175.178 2.220 10 30 AEEERN C=C[C@H](C)ON=C[C@@H]1CC1(F)F 844619550 583145787 /nfs/dbraw/zinc/14/57/87/583145787.db2.gz ASNBCBLEKQAEIU-BQBZGAKWSA-N 0 0 175.178 2.219 10 30 AEEERN C=C(C)CON=C1CCS[C@@H]1C 844619596 583145793 /nfs/dbraw/zinc/14/57/93/583145793.db2.gz HSJPOSJTIOAKPX-MRVPVSSYSA-N 0 0 185.292 2.461 10 30 AEEERN C=C[C@@H](C)ON=C1COC(C)(C)C1 844619724 583145798 /nfs/dbraw/zinc/14/57/98/583145798.db2.gz CLAJHEKPWKWKRR-MRVPVSSYSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@H](C)ON=Cc1ccc(C)nc1 844620836 583145926 /nfs/dbraw/zinc/14/59/26/583145926.db2.gz ADUIFIDBRYDOTB-JTQLQIEISA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@@H](C)ON=Cc1ccns1 844620831 583146009 /nfs/dbraw/zinc/14/60/09/583146009.db2.gz QUNOFWOYIKOZIA-SSDOTTSWSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@H](C)ON=Cc1ccc(C)cn1 844621488 583146054 /nfs/dbraw/zinc/14/60/54/583146054.db2.gz HYOKHFGVGHAFNH-JTQLQIEISA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@@H](C)ON=C1CCO[C@H](C)C1 844621505 583146097 /nfs/dbraw/zinc/14/60/97/583146097.db2.gz IEHYLOUVYQZYMC-RKDXNWHRSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@H](C)ON=CC(C)C 844621091 583146100 /nfs/dbraw/zinc/14/61/00/583146100.db2.gz DGCKNNZALXEHPD-QMMMGPOBSA-N 0 0 141.214 2.219 10 30 AEEERN C=C[C@@H](C)ON=C1CCSCC1 844622822 583146201 /nfs/dbraw/zinc/14/62/01/583146201.db2.gz BPXUSJIJQSDOND-MRVPVSSYSA-N 0 0 185.292 2.461 10 30 AEEERN C=C(C)CON=Cc1oc(C)nc1C 844620722 583146235 /nfs/dbraw/zinc/14/62/35/583146235.db2.gz ZRPXPLQYDSLALZ-UHFFFAOYSA-N 0 0 194.234 2.218 10 30 AEEERN C=C[C@H](C)ON=C1CCO[C@H](C)C1 844621503 583146249 /nfs/dbraw/zinc/14/62/49/583146249.db2.gz IEHYLOUVYQZYMC-DTWKUNHWSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=CC(C)C 844621090 583146252 /nfs/dbraw/zinc/14/62/52/583146252.db2.gz DGCKNNZALXEHPD-MRVPVSSYSA-N 0 0 141.214 2.219 10 30 AEEERN C=C[C@@H](C)ON=C1CCO[C@@H](C)C1 844621502 583146254 /nfs/dbraw/zinc/14/62/54/583146254.db2.gz IEHYLOUVYQZYMC-BDAKNGLRSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=CCSCC 844621177 583146264 /nfs/dbraw/zinc/14/62/64/583146264.db2.gz VLZLVUALYPQJDK-MRVPVSSYSA-N 0 0 173.281 2.316 10 30 AEEERN C=C[C@H](C)ON=CCSCC 844621178 583146280 /nfs/dbraw/zinc/14/62/80/583146280.db2.gz VLZLVUALYPQJDK-QMMMGPOBSA-N 0 0 173.281 2.316 10 30 AEEERN C=C[C@@H](C)ON=Cc1cncs1 844621084 583146300 /nfs/dbraw/zinc/14/63/00/583146300.db2.gz CZWULAMFMQYLNV-SSDOTTSWSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@H](C)ON=Cc1ccns1 844620832 583146316 /nfs/dbraw/zinc/14/63/16/583146316.db2.gz QUNOFWOYIKOZIA-ZETCQYMHSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@H](C)ON=Cc1cncs1 844621085 583146330 /nfs/dbraw/zinc/14/63/30/583146330.db2.gz CZWULAMFMQYLNV-ZETCQYMHSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@H](C)ON=C1CCO[C@@H](C)C1 844621504 583146374 /nfs/dbraw/zinc/14/63/74/583146374.db2.gz IEHYLOUVYQZYMC-IUCAKERBSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=Cc1ccc(C)nc1 844620839 583146379 /nfs/dbraw/zinc/14/63/79/583146379.db2.gz ADUIFIDBRYDOTB-SNVBAGLBSA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@@H](C)ON=C[C@@H]1CCSC1 844623199 583146590 /nfs/dbraw/zinc/14/65/90/583146590.db2.gz AVTMCVRHBBOJOW-BDAKNGLRSA-N 0 0 185.292 2.316 10 30 AEEERN C=C[C@H](C)ON=C1CCSCC1 844622823 583146644 /nfs/dbraw/zinc/14/66/44/583146644.db2.gz BPXUSJIJQSDOND-QMMMGPOBSA-N 0 0 185.292 2.461 10 30 AEEERN C=C[C@@H](C)ON=C[C@H]1CCSC1 844623202 583146652 /nfs/dbraw/zinc/14/66/52/583146652.db2.gz AVTMCVRHBBOJOW-RKDXNWHRSA-N 0 0 185.292 2.316 10 30 AEEERN C=C[C@@H](C)ON=C1CCn2cccc21 844622836 583146685 /nfs/dbraw/zinc/14/66/85/583146685.db2.gz BYTIOUPFRULCHB-SECBINFHSA-N 0 0 190.246 2.187 10 30 AEEERN C=C[C@@H](C)ON=C(C)CC 844622602 583146697 /nfs/dbraw/zinc/14/66/97/583146697.db2.gz HFDMZSJJJFZDPP-MRVPVSSYSA-N 0 0 141.214 2.363 10 30 AEEERN C=C[C@H](C)ON=CC(C)(C)COC 844623186 583146753 /nfs/dbraw/zinc/14/67/53/583146753.db2.gz AQTXWINKJRMJMD-VIFPVBQESA-N 0 0 185.267 2.236 10 30 AEEERN C=C[C@@H](C)ON=Cc1csc(C)n1 844622889 583146765 /nfs/dbraw/zinc/14/67/65/583146765.db2.gz CRIFBAWHZFFLCT-SSDOTTSWSA-N 0 0 196.275 2.377 10 30 AEEERN C=C[C@H](C)ON=Cc1cccnc1C 844623142 583146771 /nfs/dbraw/zinc/14/67/71/583146771.db2.gz FOBSPGXCSTZWPU-VIFPVBQESA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@H](C)ON=C1CCn2cccc21 844622837 583146779 /nfs/dbraw/zinc/14/67/79/583146779.db2.gz BYTIOUPFRULCHB-VIFPVBQESA-N 0 0 190.246 2.187 10 30 AEEERN C=C[C@@H](C)ON=CC(C)(C)COC 844623185 583146847 /nfs/dbraw/zinc/14/68/47/583146847.db2.gz AQTXWINKJRMJMD-SECBINFHSA-N 0 0 185.267 2.236 10 30 AEEERN C=C[C@H](C)ON=C[C@@H]1CCSC1 844623201 583146889 /nfs/dbraw/zinc/14/68/89/583146889.db2.gz AVTMCVRHBBOJOW-IUCAKERBSA-N 0 0 185.292 2.316 10 30 AEEERN C=C[C@@H](C)ON=Cc1cccnc1C 844623141 583146907 /nfs/dbraw/zinc/14/69/07/583146907.db2.gz FOBSPGXCSTZWPU-SECBINFHSA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@H](C)ON=C[C@H]1CCSC1 844623200 583146965 /nfs/dbraw/zinc/14/69/65/583146965.db2.gz AVTMCVRHBBOJOW-DTWKUNHWSA-N 0 0 185.292 2.316 10 30 AEEERN C=C[C@H](C)ON=Cc1csc(C)n1 844622890 583146974 /nfs/dbraw/zinc/14/69/74/583146974.db2.gz CRIFBAWHZFFLCT-ZETCQYMHSA-N 0 0 196.275 2.377 10 30 AEEERN C=C[C@H](C)ON=C(C)CC 844622603 583146984 /nfs/dbraw/zinc/14/69/84/583146984.db2.gz HFDMZSJJJFZDPP-QMMMGPOBSA-N 0 0 141.214 2.363 10 30 AEEERN C=C[C@H](C)ON=C(C)c1coc(C)n1 844623707 583147075 /nfs/dbraw/zinc/14/70/75/583147075.db2.gz FBHFNPCKJPFPSQ-ZETCQYMHSA-N 0 0 194.234 2.298 10 30 AEEERN C=C[C@@H](C)ON=C(C)c1coc(C)n1 844623696 583147121 /nfs/dbraw/zinc/14/71/21/583147121.db2.gz FBHFNPCKJPFPSQ-SSDOTTSWSA-N 0 0 194.234 2.298 10 30 AEEERN C=C[C@@H](C)ON=Cc1cscn1 844623557 583147110 /nfs/dbraw/zinc/14/71/10/583147110.db2.gz IBYZSGMJSHVQFN-SSDOTTSWSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@H](C)ON=Cc1cc(C)ns1 844623747 583147257 /nfs/dbraw/zinc/14/72/57/583147257.db2.gz FIYMEQIWSMOSGL-QMMMGPOBSA-N 0 0 196.275 2.377 10 30 AEEERN C=C[C@@H](C)ON=Cc1oc(C)nc1C 844624619 583147275 /nfs/dbraw/zinc/14/72/75/583147275.db2.gz IOBVKILFZDNCQD-SSDOTTSWSA-N 0 0 194.234 2.216 10 30 AEEERN C=C[C@@H](C)ON=CC1CC(OCC)C1 844624793 583147322 /nfs/dbraw/zinc/14/73/22/583147322.db2.gz JQBPNEILPPMFSU-KPPDAEKUSA-N 0 0 197.278 2.378 10 30 AEEERN C=C[C@@H](C)ON=CC1(F)CC1 844626007 583147396 /nfs/dbraw/zinc/14/73/96/583147396.db2.gz QQTIOOIGUVLJQM-SSDOTTSWSA-N 0 0 157.188 2.065 10 30 AEEERN C=C[C@H](C)ON=CC1(F)CC1 844626008 583147406 /nfs/dbraw/zinc/14/74/06/583147406.db2.gz QQTIOOIGUVLJQM-ZETCQYMHSA-N 0 0 157.188 2.065 10 30 AEEERN C=C[C@H](C)ON=Cc1cscn1 844623558 583147441 /nfs/dbraw/zinc/14/74/41/583147441.db2.gz IBYZSGMJSHVQFN-ZETCQYMHSA-N 0 0 182.248 2.068 10 30 AEEERN C=C[C@@H](C)ON=Cc1cc(C)ns1 844623742 583147453 /nfs/dbraw/zinc/14/74/53/583147453.db2.gz FIYMEQIWSMOSGL-MRVPVSSYSA-N 0 0 196.275 2.377 10 30 AEEERN C=C[C@H](C)ON=Cc1oc(C)nc1C 844624620 583147489 /nfs/dbraw/zinc/14/74/89/583147489.db2.gz IOBVKILFZDNCQD-ZETCQYMHSA-N 0 0 194.234 2.216 10 30 AEEERN C=C[C@H](C)ON=CC1CC(OCC)C1 844624794 583147506 /nfs/dbraw/zinc/14/75/06/583147506.db2.gz JQBPNEILPPMFSU-WHXUTIOJSA-N 0 0 197.278 2.378 10 30 AEEERN C#CCCCCCCOC(C)=O 5437854 583148050 /nfs/dbraw/zinc/14/80/50/583148050.db2.gz PCEZZOCIWUWDLG-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN C[C@H](C#N)OC(=O)CC1CCCCC1 845154735 583148883 /nfs/dbraw/zinc/14/88/83/583148883.db2.gz ADLODTFVIIXMEQ-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C[C@@H](C#N)OC(=O)CC1CCCCC1 845154739 583148889 /nfs/dbraw/zinc/14/88/89/583148889.db2.gz ADLODTFVIIXMEQ-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN Cc1nn(-c2ccccc2)cc1C#N 5533063 583149938 /nfs/dbraw/zinc/14/99/38/583149938.db2.gz AMRLEOIAAVRDSP-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN C#C[C@@H](C)OC(=O)C(C)(C)CCC 845478761 583150023 /nfs/dbraw/zinc/15/00/23/583150023.db2.gz BWQGLVUQDAUJGB-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN C#CCCOC(=O)[C@H]1CC[C@H](C)CC1 845422765 583150100 /nfs/dbraw/zinc/15/01/00/583150100.db2.gz DORBGJNLGWOYFU-XYPYZODXSA-N 0 0 194.274 2.379 10 30 AEEERN C#C[C@H](C)OC(=O)C(C)(C)CCC 845478763 583150124 /nfs/dbraw/zinc/15/01/24/583150124.db2.gz BWQGLVUQDAUJGB-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H]1CC[C@H](C)CC1 845478697 583150244 /nfs/dbraw/zinc/15/02/44/583150244.db2.gz ANGCWPROCBGOCI-GMTAPVOTSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CC[C@H](C)CC1 845478696 583150444 /nfs/dbraw/zinc/15/04/44/583150444.db2.gz ANGCWPROCBGOCI-DCAQKATOSA-N 0 0 194.274 2.378 10 30 AEEERN CCCCCCCC(=O)NOC 106167424 583153152 /nfs/dbraw/zinc/15/31/52/583153152.db2.gz GXYRZVMZKISATB-UHFFFAOYSA-N 0 0 173.256 2.025 10 30 AEEERN C=C[C@@H](C)ONC(=O)/C=C\C(C)(C)C 846544875 583154516 /nfs/dbraw/zinc/15/45/16/583154516.db2.gz KKPLKRCZHNPLQY-UFGYOYAJSA-N 0 0 197.278 2.211 10 30 AEEERN C=C(C)CONC(=O)CCCC(C)C 846534119 583154594 /nfs/dbraw/zinc/15/45/94/583154594.db2.gz LLKCRXXNFYYOQT-UHFFFAOYSA-N 0 0 199.294 2.437 10 30 AEEERN C=C/C(C)=C/CC(=O)NOCC(=C)C 846534917 583154645 /nfs/dbraw/zinc/15/46/45/583154645.db2.gz IWXDLOCZNKSORJ-UXBLZVDNSA-N 0 0 195.262 2.133 10 30 AEEERN C=C/C(C)=C\CC(=O)NOCC(=C)C 846534916 583154829 /nfs/dbraw/zinc/15/48/29/583154829.db2.gz IWXDLOCZNKSORJ-POHAHGRESA-N 0 0 195.262 2.133 10 30 AEEERN C=C(C)CONC(=O)[C@@H](C)CC(C)C 846535565 583155062 /nfs/dbraw/zinc/15/50/62/583155062.db2.gz FLQDQQGCTRENNE-JTQLQIEISA-N 0 0 199.294 2.293 10 30 AEEERN C=C(C)CONC(=O)/C=C(\C)CCC 846539343 583155068 /nfs/dbraw/zinc/15/50/68/583155068.db2.gz GCIZCZYEHGWKRE-JXMROGBWSA-N 0 0 197.278 2.357 10 30 AEEERN C=C(C)CONC(=O)[C@H](C)CC(=C)C 846535922 583155244 /nfs/dbraw/zinc/15/52/44/583155244.db2.gz NEYYJKAWTMOQOB-SNVBAGLBSA-N 0 0 197.278 2.213 10 30 AEEERN C=C(C)CONC(=O)/C=C(/C)CCC 846539345 583155431 /nfs/dbraw/zinc/15/54/31/583155431.db2.gz GCIZCZYEHGWKRE-YFHOEESVSA-N 0 0 197.278 2.357 10 30 AEEERN C=C(C)CONC(=O)/C=C\C(C)(C)C 846539334 583155442 /nfs/dbraw/zinc/15/54/42/583155442.db2.gz UUKKKZFQWRPWIG-SREVYHEPSA-N 0 0 197.278 2.213 10 30 AEEERN C=C(C)CONC(=O)[C@H](C)CC(C)C 846535566 583155475 /nfs/dbraw/zinc/15/54/75/583155475.db2.gz FLQDQQGCTRENNE-SNVBAGLBSA-N 0 0 199.294 2.293 10 30 AEEERN C=C(C)CONC(=O)/C=C/C(C)(C)C 846539335 583155541 /nfs/dbraw/zinc/15/55/41/583155541.db2.gz UUKKKZFQWRPWIG-VOTSOKGWSA-N 0 0 197.278 2.213 10 30 AEEERN C=C(C)CONC(=O)[C@@H](C)CC(=C)C 846535919 583155695 /nfs/dbraw/zinc/15/56/95/583155695.db2.gz NEYYJKAWTMOQOB-JTQLQIEISA-N 0 0 197.278 2.213 10 30 AEEERN C=C[C@H](C)ONC(=O)[C@H](C)CC(=C)C 846547404 583156062 /nfs/dbraw/zinc/15/60/62/583156062.db2.gz DYURVLHJEFRTFC-ZJUUUORDSA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@H](C)ONC(=O)[C@@H](C)CC(=C)C 846547402 583156067 /nfs/dbraw/zinc/15/60/67/583156067.db2.gz DYURVLHJEFRTFC-UWVGGRQHSA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@@H](C)ONC(=O)[C@H](C)CC(=C)C 846547401 583156211 /nfs/dbraw/zinc/15/62/11/583156211.db2.gz DYURVLHJEFRTFC-NXEZZACHSA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@@H](C)ONC(=O)[C@@H](C)CC(=C)C 846547403 583156215 /nfs/dbraw/zinc/15/62/15/583156215.db2.gz DYURVLHJEFRTFC-VHSXEESVSA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@@H](C)ONC(=O)/C=C/C(C)(C)C 846544850 583156488 /nfs/dbraw/zinc/15/64/88/583156488.db2.gz KKPLKRCZHNPLQY-FCZSHJHJSA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@H](C)ONC(=O)/C=C/C(C)(C)C 846544852 583156638 /nfs/dbraw/zinc/15/66/38/583156638.db2.gz KKPLKRCZHNPLQY-FLOXNTQESA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@H](C)ONC(=O)/C=C\C(C)(C)C 846544873 583156679 /nfs/dbraw/zinc/15/66/79/583156679.db2.gz KKPLKRCZHNPLQY-FUOZMLNRSA-N 0 0 197.278 2.211 10 30 AEEERN C=C[C@@H](C)ONC(=O)[C@@H](C)CC(C)C 846549177 583157517 /nfs/dbraw/zinc/15/75/17/583157517.db2.gz NERDSJABVIWWLX-VHSXEESVSA-N 0 0 199.294 2.291 10 30 AEEERN C=C[C@@H](C)ONC(=O)[C@H](C)CC(C)C 846549173 583157569 /nfs/dbraw/zinc/15/75/69/583157569.db2.gz NERDSJABVIWWLX-NXEZZACHSA-N 0 0 199.294 2.291 10 30 AEEERN C=C[C@H](C)ONC(=O)[C@@H](C)CC(C)C 846549175 583157637 /nfs/dbraw/zinc/15/76/37/583157637.db2.gz NERDSJABVIWWLX-UWVGGRQHSA-N 0 0 199.294 2.291 10 30 AEEERN C=C[C@H](C)ONC(=O)[C@H](C)CC(C)C 846549179 583157695 /nfs/dbraw/zinc/15/76/95/583157695.db2.gz NERDSJABVIWWLX-ZJUUUORDSA-N 0 0 199.294 2.291 10 30 AEEERN C=C/C(C)=C/CC(=O)NO[C@@H](C)C=C 846554944 583158049 /nfs/dbraw/zinc/15/80/49/583158049.db2.gz MOLURDQMLYRKLH-PCYYEKQGSA-N 0 0 195.262 2.131 10 30 AEEERN C=C/C(C)=C\CC(=O)NO[C@@H](C)C=C 846554945 583158071 /nfs/dbraw/zinc/15/80/71/583158071.db2.gz MOLURDQMLYRKLH-RNKPRXRFSA-N 0 0 195.262 2.131 10 30 AEEERN C=C/C(C)=C\CC(=O)NO[C@H](C)C=C 846554947 583158114 /nfs/dbraw/zinc/15/81/14/583158114.db2.gz MOLURDQMLYRKLH-UJICNMFASA-N 0 0 195.262 2.131 10 30 AEEERN C=C[C@H](C)ONC(=O)CCCC(C)C 846555233 583158454 /nfs/dbraw/zinc/15/84/54/583158454.db2.gz SQPDEGXFLBXQKQ-JTQLQIEISA-N 0 0 199.294 2.435 10 30 AEEERN C=C[C@@H](C)ONC(=O)CCCC(C)C 846555234 583158468 /nfs/dbraw/zinc/15/84/68/583158468.db2.gz SQPDEGXFLBXQKQ-SNVBAGLBSA-N 0 0 199.294 2.435 10 30 AEEERN C=C/C(C)=C/CC(=O)NO[C@H](C)C=C 846554946 583158485 /nfs/dbraw/zinc/15/84/85/583158485.db2.gz MOLURDQMLYRKLH-TTZKWOQHSA-N 0 0 195.262 2.131 10 30 AEEERN C=CCCC(=O)OCCCC 5821368 583158816 /nfs/dbraw/zinc/15/88/16/583158816.db2.gz FSTRNYPZAMXNTC-UHFFFAOYSA-N 0 0 156.225 2.296 10 30 AEEERN CN(CC(C)(C)C#N)c1nccs1 846749368 583159756 /nfs/dbraw/zinc/15/97/56/583159756.db2.gz IFBOIKQGOUYBKL-UHFFFAOYSA-N 0 0 195.291 2.129 10 30 AEEERN C=CCN(c1nccs1)C1CC1 846755068 583159782 /nfs/dbraw/zinc/15/97/82/583159782.db2.gz DYGJBHZKXWMRBA-UHFFFAOYSA-N 0 0 180.276 2.298 10 30 AEEERN CCN(C(=O)CCCCC#N)C(C)C 846827182 583160504 /nfs/dbraw/zinc/16/05/04/583160504.db2.gz CXTUTOKGVZMMHR-UHFFFAOYSA-N 0 0 196.294 2.327 10 30 AEEERN C=CCCCC(=O)N(C)[C@@H](C#N)CC 847166065 583162046 /nfs/dbraw/zinc/16/20/46/583162046.db2.gz AMMWXWPGOKBECQ-SNVBAGLBSA-N 0 0 194.278 2.103 10 30 AEEERN C=CCCCCCNC(=O)C1(F)CC1 847185819 583162092 /nfs/dbraw/zinc/16/20/92/583162092.db2.gz RLEFNROUANUIAV-UHFFFAOYSA-N 0 0 199.269 2.351 10 30 AEEERN CC/C=C(/C)C(=O)N(C)[C@@H](C#N)CC 847165451 583162115 /nfs/dbraw/zinc/16/21/15/583162115.db2.gz APOHOSRRCGFNLK-UJICNMFASA-N 0 0 194.278 2.103 10 30 AEEERN C=CCCCCCNC(=O)C(F)F 847185272 583162130 /nfs/dbraw/zinc/16/21/30/583162130.db2.gz LIMCDNYMQIBTER-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN CC[C@H](C#N)N(C)C(=O)C(C)=C(C)C 847167212 583162250 /nfs/dbraw/zinc/16/22/50/583162250.db2.gz GLKJCMZSGDHRPM-SNVBAGLBSA-N 0 0 194.278 2.103 10 30 AEEERN C=CCCCCCNC(=O)/C=C/C 847184269 583162303 /nfs/dbraw/zinc/16/23/03/583162303.db2.gz UOVWFKVXFGTKIS-RUDMXATFSA-N 0 0 181.279 2.425 10 30 AEEERN CC/C=C(\C)C(=O)N(C)[C@@H](C#N)CC 847165450 583162309 /nfs/dbraw/zinc/16/23/09/583162309.db2.gz APOHOSRRCGFNLK-TTZKWOQHSA-N 0 0 194.278 2.103 10 30 AEEERN C#CCCCC(=O)N(CCC)C(C)C 847169911 583162326 /nfs/dbraw/zinc/16/23/26/583162326.db2.gz CWJUGJVOHXVJSY-UHFFFAOYSA-N 0 0 195.306 2.437 10 30 AEEERN CC[C@@H](C#N)N(C)C(=O)C(C)=C(C)C 847167211 583162338 /nfs/dbraw/zinc/16/23/38/583162338.db2.gz GLKJCMZSGDHRPM-JTQLQIEISA-N 0 0 194.278 2.103 10 30 AEEERN CC/C=C(/C)C(=O)N(C)[C@H](C#N)CC 847165449 583162375 /nfs/dbraw/zinc/16/23/75/583162375.db2.gz APOHOSRRCGFNLK-RNKPRXRFSA-N 0 0 194.278 2.103 10 30 AEEERN C=CCCCCCNC(=O)/C=C\C 847184270 583162389 /nfs/dbraw/zinc/16/23/89/583162389.db2.gz UOVWFKVXFGTKIS-WTKPLQERSA-N 0 0 181.279 2.425 10 30 AEEERN C=CCCCC(=O)N(C)[C@H](C#N)CC 847166061 583162435 /nfs/dbraw/zinc/16/24/35/583162435.db2.gz AMMWXWPGOKBECQ-JTQLQIEISA-N 0 0 194.278 2.103 10 30 AEEERN CC/C=C(\C)C(=O)N(C)[C@H](C#N)CC 847165448 583162438 /nfs/dbraw/zinc/16/24/38/583162438.db2.gz APOHOSRRCGFNLK-PCYYEKQGSA-N 0 0 194.278 2.103 10 30 AEEERN CCCOC(=O)CCCCC#N 847627715 583163768 /nfs/dbraw/zinc/16/37/68/583163768.db2.gz UCECIUQBBFOLLM-UHFFFAOYSA-N 0 0 169.224 2.024 10 30 AEEERN C[C@@H]1C[C@H]1COC(=O)CCCCC#N 847633223 583163778 /nfs/dbraw/zinc/16/37/78/583163778.db2.gz GXBPUZPIDAZFDN-ZJUUUORDSA-N 0 0 195.262 2.270 10 30 AEEERN CC1(C)CCN1C(=O)CCCCC#N 847514707 583163047 /nfs/dbraw/zinc/16/30/47/583163047.db2.gz LEYAASDIAGWRAO-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN C=CCCOC(=O)c1ccc(OC)o1 847629501 583163464 /nfs/dbraw/zinc/16/34/64/583163464.db2.gz FLWIOWLIAZYQQF-UHFFFAOYSA-N 0 0 196.202 2.021 10 30 AEEERN C[C@H]1C[C@@H]1COC(=O)CCCCC#N 847633222 583163485 /nfs/dbraw/zinc/16/34/85/583163485.db2.gz GXBPUZPIDAZFDN-VHSXEESVSA-N 0 0 195.262 2.270 10 30 AEEERN C=C(C)COC(=O)CCCCC#N 847628533 583163558 /nfs/dbraw/zinc/16/35/58/583163558.db2.gz KBKFDTAIVHLKFI-UHFFFAOYSA-N 0 0 181.235 2.190 10 30 AEEERN C/C=C\COC(=O)CCCCC#N 847630941 583163567 /nfs/dbraw/zinc/16/35/67/583163567.db2.gz UZFJLBMFTGAMNB-IHWYPQMZSA-N 0 0 181.235 2.190 10 30 AEEERN C[C@H]1C[C@H]1COC(=O)CCCCC#N 847633221 583163677 /nfs/dbraw/zinc/16/36/77/583163677.db2.gz GXBPUZPIDAZFDN-UWVGGRQHSA-N 0 0 195.262 2.270 10 30 AEEERN CC#CCCOC(=O)CCCCC#N 847677373 583163738 /nfs/dbraw/zinc/16/37/38/583163738.db2.gz DAACFHAEEZKOOO-UHFFFAOYSA-N 0 0 193.246 2.027 10 30 AEEERN C#CCCCOC(=O)CCCCC#N 847629550 583163894 /nfs/dbraw/zinc/16/38/94/583163894.db2.gz HBGLUZRZMLGQNP-UHFFFAOYSA-N 0 0 193.246 2.027 10 30 AEEERN C=CCCOC(=O)CCCCC#N 847629650 583163915 /nfs/dbraw/zinc/16/39/15/583163915.db2.gz JOTPXYJOFBQZBP-UHFFFAOYSA-N 0 0 181.235 2.190 10 30 AEEERN C/C=C/COC(=O)CCCCC#N 847630946 583163961 /nfs/dbraw/zinc/16/39/61/583163961.db2.gz UZFJLBMFTGAMNB-NSCUHMNNSA-N 0 0 181.235 2.190 10 30 AEEERN N#CCCCCC(=O)OCC1CCC1 847651348 583163971 /nfs/dbraw/zinc/16/39/71/583163971.db2.gz CANVWRGDHDHXPF-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN C[C@@H]1C[C@@H]1COC(=O)CCCCC#N 847633220 583164019 /nfs/dbraw/zinc/16/40/19/583164019.db2.gz GXBPUZPIDAZFDN-NXEZZACHSA-N 0 0 195.262 2.270 10 30 AEEERN N#CCCCCC(=O)OCC1(F)CC1 847699147 583164096 /nfs/dbraw/zinc/16/40/96/583164096.db2.gz LNGWRDRSCWUUGJ-UHFFFAOYSA-N 0 0 199.225 2.116 10 30 AEEERN C#CCCC[C@H](C)OC(=O)C(C)C 847859128 583164305 /nfs/dbraw/zinc/16/43/05/583164305.db2.gz FDZQNIRCOPDQEB-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN C=C(CC)CON=C(N)[C@H]1C[C@H]1C 848520510 583169284 /nfs/dbraw/zinc/16/92/84/583169284.db2.gz QAXOMIGQHCEPGW-BDAKNGLRSA-N 0 0 182.267 2.107 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)C(C)C 847859134 583164855 /nfs/dbraw/zinc/16/48/55/583164855.db2.gz FDZQNIRCOPDQEB-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN C#CCCC[C@H](C)OC(=O)C1(F)CC1 847868358 583164870 /nfs/dbraw/zinc/16/48/70/583164870.db2.gz DQQXPXDGYNXXMP-VIFPVBQESA-N 0 0 198.237 2.224 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 847867060 583165021 /nfs/dbraw/zinc/16/50/21/583165021.db2.gz VEYNWPGFOZTZSP-AXFHLTTASA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)C1CC1 847860273 583165024 /nfs/dbraw/zinc/16/50/24/583165024.db2.gz PPTMQYJGMDFHRN-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)CC 847867113 583165041 /nfs/dbraw/zinc/16/50/41/583165041.db2.gz VSXONVICGLRZNP-SECBINFHSA-N 0 0 168.236 2.132 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)C1(F)CC1 847868357 583165094 /nfs/dbraw/zinc/16/50/94/583165094.db2.gz DQQXPXDGYNXXMP-SECBINFHSA-N 0 0 198.237 2.224 10 30 AEEERN C#CCCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 847867062 583165098 /nfs/dbraw/zinc/16/50/98/583165098.db2.gz VEYNWPGFOZTZSP-GMTAPVOTSA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCC[C@H](C)OC(=O)C1CC1 847860278 583165100 /nfs/dbraw/zinc/16/51/00/583165100.db2.gz PPTMQYJGMDFHRN-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C#CCCC[C@H](C)OC(=O)CC 847867114 583165150 /nfs/dbraw/zinc/16/51/50/583165150.db2.gz VSXONVICGLRZNP-VIFPVBQESA-N 0 0 168.236 2.132 10 30 AEEERN C=C=CCNC(=O)[C@H](C)CC(=C)C 848115258 583165657 /nfs/dbraw/zinc/16/56/57/583165657.db2.gz YPXGUASCGVTTPT-SNVBAGLBSA-N 0 0 179.263 2.046 10 30 AEEERN C=C=CCNC(=O)[C@@H](C)CC(=C)C 848115256 583165734 /nfs/dbraw/zinc/16/57/34/583165734.db2.gz YPXGUASCGVTTPT-JTQLQIEISA-N 0 0 179.263 2.046 10 30 AEEERN C[C@@H]1CCC(=NNC2CC2)CS1 848408060 583167385 /nfs/dbraw/zinc/16/73/85/583167385.db2.gz FADRTCIOKSVEGT-SSDOTTSWSA-N 0 0 184.308 2.010 10 30 AEEERN CCON=C1CCC[N@@H+]2CCCC[C@H]12 848404950 583167391 /nfs/dbraw/zinc/16/73/91/583167391.db2.gz VBEWMYBAIWKDMT-LLVKDONJSA-N 0 0 196.294 2.027 10 30 AEEERN C[C@H]1CCC(=NNC2CC2)CS1 848408069 583167458 /nfs/dbraw/zinc/16/74/58/583167458.db2.gz FADRTCIOKSVEGT-ZETCQYMHSA-N 0 0 184.308 2.010 10 30 AEEERN CCCNN=C1CC[C@H](C)SC1 848403290 583167626 /nfs/dbraw/zinc/16/76/26/583167626.db2.gz QDDOILQEWDRETN-QMMMGPOBSA-N 0 0 186.324 2.258 10 30 AEEERN CCCNN=C1CC[C@@H](C)SC1 848403285 583167777 /nfs/dbraw/zinc/16/77/77/583167777.db2.gz QDDOILQEWDRETN-MRVPVSSYSA-N 0 0 186.324 2.258 10 30 AEEERN CCON=C1CCC[N@@H+]2CCCC[C@@H]12 848404951 583167829 /nfs/dbraw/zinc/16/78/29/583167829.db2.gz VBEWMYBAIWKDMT-NSHDSACASA-N 0 0 196.294 2.027 10 30 AEEERN C=CCNN=C1CC[C@H](C)SC1 848409879 583167967 /nfs/dbraw/zinc/16/79/67/583167967.db2.gz ABUMISDLFXVPTE-QMMMGPOBSA-N 0 0 184.308 2.034 10 30 AEEERN CCON=C1CC[C@H](C)SC1 848404712 583168006 /nfs/dbraw/zinc/16/80/06/583168006.db2.gz OHCPLPHUGVZJIL-ZETCQYMHSA-N 0 0 173.281 2.294 10 30 AEEERN C=C(C)CNN=C1CC[C@H](C)SC1 848410191 583168021 /nfs/dbraw/zinc/16/80/21/583168021.db2.gz DGIURDGTOKAZQP-VIFPVBQESA-N 0 0 198.335 2.424 10 30 AEEERN C=CCON=C1CC[C@@H](C)SC1 848411877 583168236 /nfs/dbraw/zinc/16/82/36/583168236.db2.gz DWPYQZLRGMHOMR-MRVPVSSYSA-N 0 0 185.292 2.461 10 30 AEEERN C=C(C)CNN=C1CC[C@@H](C)SC1 848410188 583168496 /nfs/dbraw/zinc/16/84/96/583168496.db2.gz DGIURDGTOKAZQP-SECBINFHSA-N 0 0 198.335 2.424 10 30 AEEERN CCON=C1CC[C@@H](C)SC1 848404705 583168520 /nfs/dbraw/zinc/16/85/20/583168520.db2.gz OHCPLPHUGVZJIL-SSDOTTSWSA-N 0 0 173.281 2.294 10 30 AEEERN C=CCNN=C1CC[C@@H](C)SC1 848409877 583168539 /nfs/dbraw/zinc/16/85/39/583168539.db2.gz ABUMISDLFXVPTE-MRVPVSSYSA-N 0 0 184.308 2.034 10 30 AEEERN Cc1ccc(CON=C2CCC2)cn1 848509148 583168547 /nfs/dbraw/zinc/16/85/47/583168547.db2.gz GEUQDXHQVVABCL-UHFFFAOYSA-N 0 0 190.246 2.447 10 30 AEEERN C=CCON=C1CC[C@H](C)SC1 848411880 583168590 /nfs/dbraw/zinc/16/85/90/583168590.db2.gz DWPYQZLRGMHOMR-QMMMGPOBSA-N 0 0 185.292 2.461 10 30 AEEERN Cc1nc(CON=C2CCC2)co1 848510478 583168652 /nfs/dbraw/zinc/16/86/52/583168652.db2.gz SQHXOAUHKCICIA-UHFFFAOYSA-N 0 0 180.207 2.040 10 30 AEEERN C=C(C)CCON=C(N)[C@H]1C[C@@H]1C 848523213 583168892 /nfs/dbraw/zinc/16/88/92/583168892.db2.gz ZXYYBAUATOHAJQ-IUCAKERBSA-N 0 0 182.267 2.107 10 30 AEEERN C=C(C)CCON=C(N)[C@H]1C[C@H]1C 848523211 583168897 /nfs/dbraw/zinc/16/88/97/583168897.db2.gz ZXYYBAUATOHAJQ-BDAKNGLRSA-N 0 0 182.267 2.107 10 30 AEEERN C=C(C)CCON=C(N)[C@@H]1C[C@@H]1C 848523212 583169005 /nfs/dbraw/zinc/16/90/05/583169005.db2.gz ZXYYBAUATOHAJQ-DTWKUNHWSA-N 0 0 182.267 2.107 10 30 AEEERN C=CCCCON=C(N)[C@H]1C[C@@H]1C 848519575 583169050 /nfs/dbraw/zinc/16/90/50/583169050.db2.gz OOTMYEGDAGJRGG-IUCAKERBSA-N 0 0 182.267 2.107 10 30 AEEERN C=C(C)CCON=C(N)[C@@H]1C[C@H]1C 848523214 583169054 /nfs/dbraw/zinc/16/90/54/583169054.db2.gz ZXYYBAUATOHAJQ-RKDXNWHRSA-N 0 0 182.267 2.107 10 30 AEEERN C=C(CC)CON=C(N)[C@H]1C[C@@H]1C 848520514 583169065 /nfs/dbraw/zinc/16/90/65/583169065.db2.gz QAXOMIGQHCEPGW-IUCAKERBSA-N 0 0 182.267 2.107 10 30 AEEERN C=CCCCCON=C(N)[C@@H]1C[C@H]1C 848523205 583169082 /nfs/dbraw/zinc/16/90/82/583169082.db2.gz ZXFGUSLLXAERKY-NXEZZACHSA-N 0 0 196.294 2.497 10 30 AEEERN C=C(CC)CON=C(N)[C@@H]1C[C@@H]1C 848520513 583169101 /nfs/dbraw/zinc/16/91/01/583169101.db2.gz QAXOMIGQHCEPGW-DTWKUNHWSA-N 0 0 182.267 2.107 10 30 AEEERN C=CCCCON=C(N)[C@H]1C[C@H]1C 848519573 583169110 /nfs/dbraw/zinc/16/91/10/583169110.db2.gz OOTMYEGDAGJRGG-BDAKNGLRSA-N 0 0 182.267 2.107 10 30 AEEERN C=CCCCON=C(N)[C@@H]1C[C@H]1C 848519576 583169186 /nfs/dbraw/zinc/16/91/86/583169186.db2.gz OOTMYEGDAGJRGG-RKDXNWHRSA-N 0 0 182.267 2.107 10 30 AEEERN C=CCCCCON=C(N)[C@H]1C[C@@H]1C 848523207 583169209 /nfs/dbraw/zinc/16/92/09/583169209.db2.gz ZXFGUSLLXAERKY-UWVGGRQHSA-N 0 0 196.294 2.497 10 30 AEEERN C=CCCCCON=C(N)[C@@H]1C[C@@H]1C 848523208 583169278 /nfs/dbraw/zinc/16/92/78/583169278.db2.gz ZXFGUSLLXAERKY-VHSXEESVSA-N 0 0 196.294 2.497 10 30 AEEERN C=C(CC)CON=C(N)[C@@H]1C[C@H]1C 848520517 583169439 /nfs/dbraw/zinc/16/94/39/583169439.db2.gz QAXOMIGQHCEPGW-RKDXNWHRSA-N 0 0 182.267 2.107 10 30 AEEERN C=CCCCCON=C(N)[C@H]1C[C@H]1C 848523210 583169476 /nfs/dbraw/zinc/16/94/76/583169476.db2.gz ZXFGUSLLXAERKY-ZJUUUORDSA-N 0 0 196.294 2.497 10 30 AEEERN C=CCCCON=C(N)[C@@H]1C[C@@H]1C 848519574 583169486 /nfs/dbraw/zinc/16/94/86/583169486.db2.gz OOTMYEGDAGJRGG-DTWKUNHWSA-N 0 0 182.267 2.107 10 30 AEEERN C#C[C@H]1CCC[N@H+](Cc2ccco2)C1 848924290 583170895 /nfs/dbraw/zinc/17/08/95/583170895.db2.gz ZZLHORFVCOARTQ-NSHDSACASA-N 0 0 189.258 2.125 10 30 AEEERN C#C[C@H]1CCC[N@H+](Cc2ccoc2)C1 848923206 583171071 /nfs/dbraw/zinc/17/10/71/583171071.db2.gz BICYEKIAHXGOBL-NSHDSACASA-N 0 0 189.258 2.125 10 30 AEEERN C#C[C@@H]1CCC[N@H+](Cc2ccoc2)C1 848923205 583171108 /nfs/dbraw/zinc/17/11/08/583171108.db2.gz BICYEKIAHXGOBL-LLVKDONJSA-N 0 0 189.258 2.125 10 30 AEEERN C#C[C@@H]1CCC[N@H+](Cc2ccco2)C1 848924289 583171272 /nfs/dbraw/zinc/17/12/72/583171272.db2.gz ZZLHORFVCOARTQ-LLVKDONJSA-N 0 0 189.258 2.125 10 30 AEEERN C=CCCC(=O)O[C@@H]1COC(C)(C)C1 849722823 583182038 /nfs/dbraw/zinc/18/20/38/583182038.db2.gz FGMUZBUOSDJVJE-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN CC(C)=CCCOC(=O)C(C)(C)C#N 849698331 583182254 /nfs/dbraw/zinc/18/22/54/583182254.db2.gz GKGHXBJMDGTLEM-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C=CCCC(=O)O[C@H]1COC(C)(C)C1 849722822 583182413 /nfs/dbraw/zinc/18/24/13/583182413.db2.gz FGMUZBUOSDJVJE-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCCCCOC(=O)[C@H](C)CC#N 849851256 583182831 /nfs/dbraw/zinc/18/28/31/583182831.db2.gz CUQSPSYSFLOZEL-SNVBAGLBSA-N 0 0 195.262 2.436 10 30 AEEERN C[C@@H](CC#N)C(=O)O[C@@H]1CC[C@@H](C)C1 849853557 583182901 /nfs/dbraw/zinc/18/29/01/583182901.db2.gz ZGXYPLWYDDZGIZ-KXUCPTDWSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H]1CC[C@H](OC(=O)[C@H](C)CC#N)C1 849853556 583182932 /nfs/dbraw/zinc/18/29/32/583182932.db2.gz ZGXYPLWYDDZGIZ-BBBLOLIVSA-N 0 0 195.262 2.268 10 30 AEEERN C=C(C)CCOC(=O)[C@H](C)CC#N 849851614 583182990 /nfs/dbraw/zinc/18/29/90/583182990.db2.gz FUBVNXPOUSHHAP-SECBINFHSA-N 0 0 181.235 2.046 10 30 AEEERN C=C(C)CCOC(=O)[C@@H](C)CC#N 849851616 583183015 /nfs/dbraw/zinc/18/30/15/583183015.db2.gz FUBVNXPOUSHHAP-VIFPVBQESA-N 0 0 181.235 2.046 10 30 AEEERN C[C@H](CC#N)C(=O)OCC1CC=CC1 849850090 583183028 /nfs/dbraw/zinc/18/30/28/583183028.db2.gz IFRJPSBSOOMMGB-SECBINFHSA-N 0 0 193.246 2.046 10 30 AEEERN C[C@@H]1CC[C@@H](OC(=O)[C@H](C)CC#N)C1 849853558 583183110 /nfs/dbraw/zinc/18/31/10/583183110.db2.gz ZGXYPLWYDDZGIZ-OPRDCNLKSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)=CCCOC(=O)[C@H](C)CC#N 849850688 583183139 /nfs/dbraw/zinc/18/31/39/583183139.db2.gz RVXFJBUZCPUSSW-SNVBAGLBSA-N 0 0 195.262 2.436 10 30 AEEERN CC(C)=CCCOC(=O)[C@@H](C)CC#N 849850687 583183195 /nfs/dbraw/zinc/18/31/95/583183195.db2.gz RVXFJBUZCPUSSW-JTQLQIEISA-N 0 0 195.262 2.436 10 30 AEEERN C[C@@H](CC#N)C(=O)OCCC1CCC1 849851170 583183257 /nfs/dbraw/zinc/18/32/57/583183257.db2.gz URIKEJXLLXOXBI-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C[C@@H](CC#N)C(=O)OCC1CC=CC1 849850091 583183272 /nfs/dbraw/zinc/18/32/72/583183272.db2.gz IFRJPSBSOOMMGB-VIFPVBQESA-N 0 0 193.246 2.046 10 30 AEEERN C[C@@H](CC#N)C(=O)O[C@H]1CC[C@@H](C)C1 849853559 583183297 /nfs/dbraw/zinc/18/32/97/583183297.db2.gz ZGXYPLWYDDZGIZ-UTLUCORTSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCCCCOC(=O)[C@@H](C)CC#N 849851254 583183396 /nfs/dbraw/zinc/18/33/96/583183396.db2.gz CUQSPSYSFLOZEL-JTQLQIEISA-N 0 0 195.262 2.436 10 30 AEEERN CSCSc1ccncc1C#N 849971348 583183623 /nfs/dbraw/zinc/18/36/23/583183623.db2.gz MLJYDLRRJZNGNS-UHFFFAOYSA-N 0 0 196.300 2.366 10 30 AEEERN N#CCCS[C@@H]1CCSC1 849920872 583183688 /nfs/dbraw/zinc/18/36/88/583183688.db2.gz DFHQZXAVWJCQGC-SSDOTTSWSA-N 0 0 173.306 2.139 10 30 AEEERN C=CCOC(=O)[C@@H](C)Cc1ccco1 850060819 583183728 /nfs/dbraw/zinc/18/37/28/583183728.db2.gz UYIJLSUJQSVUHJ-VIFPVBQESA-N 0 0 194.230 2.187 10 30 AEEERN CCOCSc1ccncc1C#N 849972026 583183764 /nfs/dbraw/zinc/18/37/64/583183764.db2.gz XAXOBQWMFLKJQM-UHFFFAOYSA-N 0 0 194.259 2.039 10 30 AEEERN N#CCCS[C@H]1CCSC1 849920873 583183795 /nfs/dbraw/zinc/18/37/95/583183795.db2.gz DFHQZXAVWJCQGC-ZETCQYMHSA-N 0 0 173.306 2.139 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@H]1CCC1(C)C 850072015 583183805 /nfs/dbraw/zinc/18/38/05/583183805.db2.gz ZHCSMQKQOVGMDS-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCSc1ncc(C)cc1C 849987356 583183965 /nfs/dbraw/zinc/18/39/65/583183965.db2.gz FNVRWXWUMGEOFP-UHFFFAOYSA-N 0 0 177.272 2.424 10 30 AEEERN N#CCCSCc1cccc(F)n1 849921033 583184000 /nfs/dbraw/zinc/18/40/00/583184000.db2.gz DTSGGIKRLISTRP-UHFFFAOYSA-N 0 0 196.250 2.368 10 30 AEEERN C=CCOC(=O)[C@H](C)Cc1ccco1 850060818 583184079 /nfs/dbraw/zinc/18/40/79/583184079.db2.gz UYIJLSUJQSVUHJ-SECBINFHSA-N 0 0 194.230 2.187 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850261858 583184429 /nfs/dbraw/zinc/18/44/29/583184429.db2.gz GJSONIJSEYJZMJ-MYJAWHEDSA-N 0 0 180.247 2.152 10 30 AEEERN N#CCOC(=O)C1CCC2(CC1)CC2 850265271 583184457 /nfs/dbraw/zinc/18/44/57/583184457.db2.gz HWKDWSGHUIASKD-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C=C(C)COC(=O)C1(OCC)CCC1 850288826 583184740 /nfs/dbraw/zinc/18/47/40/583184740.db2.gz XQUGHSMOICVSAJ-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C#CCOC(=O)C1CCC2(CC1)CC2 850265147 583184761 /nfs/dbraw/zinc/18/47/61/583184761.db2.gz CXXZZISXIDRYIP-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCCOC(=O)C1(OCC)CCC1 850290170 583184946 /nfs/dbraw/zinc/18/49/46/583184946.db2.gz YWXONSNKWROSNE-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850263434 583184962 /nfs/dbraw/zinc/18/49/62/583184962.db2.gz INORRIBPSDRHEF-MYJAWHEDSA-N 0 0 180.247 2.152 10 30 AEEERN C[C@@H](CC#N)C(=O)OC[C@H]1CC1(C)C 851036537 583187470 /nfs/dbraw/zinc/18/74/70/583187470.db2.gz KAJUUDSSRGSEKL-DTWKUNHWSA-N 0 0 195.262 2.125 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850970163 583187674 /nfs/dbraw/zinc/18/76/74/583187674.db2.gz RHXGGYFYSSUSIZ-AXTSPUMRSA-N 0 0 180.247 2.150 10 30 AEEERN C[C@H](CC#N)C(=O)OC[C@H]1CC1(C)C 851036540 583187706 /nfs/dbraw/zinc/18/77/06/583187706.db2.gz KAJUUDSSRGSEKL-RKDXNWHRSA-N 0 0 195.262 2.125 10 30 AEEERN C=C[C@H](C)OC(=O)C1(OCC)CCC1 850970147 583187814 /nfs/dbraw/zinc/18/78/14/583187814.db2.gz QIYSOVRONTWMBB-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850970164 583187838 /nfs/dbraw/zinc/18/78/38/583187838.db2.gz RHXGGYFYSSUSIZ-IMSYWVGJSA-N 0 0 180.247 2.150 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1CCC1(C)C 850954334 583187843 /nfs/dbraw/zinc/18/78/43/583187843.db2.gz PTALQTZTQSFPED-ZJUUUORDSA-N 0 0 194.274 2.378 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(OCC)CCC1 850970146 583187877 /nfs/dbraw/zinc/18/78/77/583187877.db2.gz QIYSOVRONTWMBB-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@H]1CCC1(C)C 850954332 583187881 /nfs/dbraw/zinc/18/78/81/583187881.db2.gz PTALQTZTQSFPED-UWVGGRQHSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1CCC1(C)C 850954331 583187888 /nfs/dbraw/zinc/18/78/88/583187888.db2.gz PTALQTZTQSFPED-NXEZZACHSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@H]1CCC1(C)C 850954333 583187926 /nfs/dbraw/zinc/18/79/26/583187926.db2.gz PTALQTZTQSFPED-VHSXEESVSA-N 0 0 194.274 2.378 10 30 AEEERN C=CC(C)(C)COC(=O)[C@H](C)CC#N 851063532 583188159 /nfs/dbraw/zinc/18/81/59/583188159.db2.gz BNUMWIMBBQHCJA-SECBINFHSA-N 0 0 195.262 2.292 10 30 AEEERN C=CC(C)(C)COC(=O)[C@@H](C)CC#N 851063533 583188251 /nfs/dbraw/zinc/18/82/51/583188251.db2.gz BNUMWIMBBQHCJA-VIFPVBQESA-N 0 0 195.262 2.292 10 30 AEEERN CCC/C=C/COC(=O)[C@H](C)CC#N 851039430 583188267 /nfs/dbraw/zinc/18/82/67/583188267.db2.gz AFIOTXACKVZABJ-BRAIEQGRSA-N 0 0 195.262 2.436 10 30 AEEERN CCC/C=C\COC(=O)[C@H](C)CC#N 851039433 583188274 /nfs/dbraw/zinc/18/82/74/583188274.db2.gz AFIOTXACKVZABJ-WWQCOOJYSA-N 0 0 195.262 2.436 10 30 AEEERN CCC/C=C/COC(=O)[C@@H](C)CC#N 851039432 583188300 /nfs/dbraw/zinc/18/83/00/583188300.db2.gz AFIOTXACKVZABJ-PORFMDCZSA-N 0 0 195.262 2.436 10 30 AEEERN CCC/C=C\COC(=O)[C@@H](C)CC#N 851039431 583188558 /nfs/dbraw/zinc/18/85/58/583188558.db2.gz AFIOTXACKVZABJ-OMMCCPJFSA-N 0 0 195.262 2.436 10 30 AEEERN C#CCN(CC)[C@H](C#N)c1ccccc1 851798805 583195772 /nfs/dbraw/zinc/19/57/72/583195772.db2.gz HUEHJKVPESZIAX-CYBMUJFWSA-N 0 0 198.269 2.206 10 30 AEEERN C#CCN(CC)[C@@H](C#N)c1ccccc1 851798809 583196648 /nfs/dbraw/zinc/19/66/48/583196648.db2.gz HUEHJKVPESZIAX-ZDUSSCGKSA-N 0 0 198.269 2.206 10 30 AEEERN C=CCN(C)CC=C(Cl)Cl 851953887 583201017 /nfs/dbraw/zinc/20/10/17/583201017.db2.gz GIYBIIGNXRLMKP-UHFFFAOYSA-N 0 0 180.078 2.423 10 30 AEEERN C#CCN(CC#N)CCCC1CCC1 852008943 583203190 /nfs/dbraw/zinc/20/31/90/583203190.db2.gz GHQBCERRQSGNBV-UHFFFAOYSA-N 0 0 190.290 2.025 10 30 AEEERN C#CCCCN1CC[C@@H]1C(F)(F)F 852058314 583203612 /nfs/dbraw/zinc/20/36/12/583203612.db2.gz DOJYHJUIGBRLBZ-MRVPVSSYSA-N 0 0 191.196 2.036 10 30 AEEERN C=C(Cl)CN1CC[C@H]1C(F)(F)F 852058439 583203936 /nfs/dbraw/zinc/20/39/36/583203936.db2.gz GHPZZZACMKJTAE-LURJTMIESA-N 0 0 199.603 2.376 10 30 AEEERN C=C(Cl)CN1CC[C@@H]1C(F)(F)F 852058449 583204046 /nfs/dbraw/zinc/20/40/46/583204046.db2.gz GHPZZZACMKJTAE-ZCFIWIBFSA-N 0 0 199.603 2.376 10 30 AEEERN C#CCCCN1CC[C@H]1C(F)(F)F 852058316 583204164 /nfs/dbraw/zinc/20/41/64/583204164.db2.gz DOJYHJUIGBRLBZ-QMMMGPOBSA-N 0 0 191.196 2.036 10 30 AEEERN C=C(Cl)CN(C1CC1)[C@@H](C)C#N 852479040 583206879 /nfs/dbraw/zinc/20/68/79/583206879.db2.gz BEEGJUQXBWKDJC-QMMMGPOBSA-N 0 0 184.670 2.115 10 30 AEEERN C[C@H](C#N)N(C/C=C/Cl)C1CC1 852479103 583206885 /nfs/dbraw/zinc/20/68/85/583206885.db2.gz CWBWPPCNOBVZLK-IBDUZEINSA-N 0 0 184.670 2.115 10 30 AEEERN C=C(Cl)CN(C1CC1)[C@H](C)C#N 852479033 583207090 /nfs/dbraw/zinc/20/70/90/583207090.db2.gz BEEGJUQXBWKDJC-MRVPVSSYSA-N 0 0 184.670 2.115 10 30 AEEERN C[C@@H](C#N)N(C/C=C\Cl)C1CC1 852479105 583207376 /nfs/dbraw/zinc/20/73/76/583207376.db2.gz CWBWPPCNOBVZLK-YAPUSRSVSA-N 0 0 184.670 2.115 10 30 AEEERN C[C@H](C#N)N(C/C=C\Cl)C1CC1 852479107 583207553 /nfs/dbraw/zinc/20/75/53/583207553.db2.gz CWBWPPCNOBVZLK-ZTHSNPKKSA-N 0 0 184.670 2.115 10 30 AEEERN C[C@@H](C#N)N(C/C=C/Cl)C1CC1 852479104 583207721 /nfs/dbraw/zinc/20/77/21/583207721.db2.gz CWBWPPCNOBVZLK-NCJLJLRUSA-N 0 0 184.670 2.115 10 30 AEEERN CCN(C[Si](C)(C)C)[C@H](C)C#N 852638659 583208123 /nfs/dbraw/zinc/20/81/23/583208123.db2.gz DQEKANJQUFETMQ-SECBINFHSA-N 0 0 184.359 2.098 10 30 AEEERN CCN(C[Si](C)(C)C)[C@@H](C)C#N 852638660 583209170 /nfs/dbraw/zinc/20/91/70/583209170.db2.gz DQEKANJQUFETMQ-VIFPVBQESA-N 0 0 184.359 2.098 10 30 AEEERN C#CCOCCSC[C@@H](C)CC 853018376 583215319 /nfs/dbraw/zinc/21/53/19/583215319.db2.gz HUWBVIYYHBIFDT-JTQLQIEISA-N 0 0 186.320 2.416 10 30 AEEERN C#CCOCCSCC=C(C)C 853020414 583215386 /nfs/dbraw/zinc/21/53/86/583215386.db2.gz FFICIRPNXMDZMO-UHFFFAOYSA-N 0 0 184.304 2.336 10 30 AEEERN C#CCOCCSCC(C)(C)C 853020386 583215398 /nfs/dbraw/zinc/21/53/98/583215398.db2.gz DGSHYXTVJDTUEU-UHFFFAOYSA-N 0 0 186.320 2.416 10 30 AEEERN C#CCOCCSC[C@H](C)CC 853018377 583215417 /nfs/dbraw/zinc/21/54/17/583215417.db2.gz HUWBVIYYHBIFDT-SNVBAGLBSA-N 0 0 186.320 2.416 10 30 AEEERN CON=C[C@@H](OC)C1CCCCC1 853289204 583218094 /nfs/dbraw/zinc/21/80/94/583218094.db2.gz MFSUMSZYMRLMGO-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN CC[C@H]1CC(=NOCCC2CC2)CO1 853351859 583221126 /nfs/dbraw/zinc/22/11/26/583221126.db2.gz XKHWHRQBZIXZOK-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C=C[C@@H](C)ON=C1CO[C@@H](C2CC2)C1 853369074 583222547 /nfs/dbraw/zinc/22/25/47/583222547.db2.gz GTIVXSKEOOJKHE-LDYMZIIASA-N 0 0 195.262 2.132 10 30 AEEERN CCON=C1CCC(OCC)CC1 853286101 583218076 /nfs/dbraw/zinc/21/80/76/583218076.db2.gz IFDSFYZOHBBXCS-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN CON=C[C@@H]1CC[C@H]2C[C@H]2C1 853289829 583218171 /nfs/dbraw/zinc/21/81/71/583218171.db2.gz QRWGZURKELGJHC-HRDYMLBCSA-N 0 0 153.225 2.055 10 30 AEEERN CCON=C[C@H]1C[C@@H]2C[C@@H]2C1 853286389 583218248 /nfs/dbraw/zinc/21/82/48/583218248.db2.gz NNOSLCFOFPUANE-AYMMMOKOSA-N 0 0 153.225 2.055 10 30 AEEERN CCON=C1CCCC12CC2 853285988 583218345 /nfs/dbraw/zinc/21/83/45/583218345.db2.gz FQEXLRQMZZFMSN-UHFFFAOYSA-N 0 0 153.225 2.343 10 30 AEEERN CON=C1[C@@H]2CCC[C@@H]2C1(C)C 853288310 583218387 /nfs/dbraw/zinc/21/83/87/583218387.db2.gz BJKQJKYSUQTOFE-SFYZADRCSA-N 0 0 167.252 2.445 10 30 AEEERN CCON=C[C@@H]1CC[C@H]2C[C@H]2C1 853286239 583218391 /nfs/dbraw/zinc/21/83/91/583218391.db2.gz KZLWDACUFXJVJX-KXUCPTDWSA-N 0 0 167.252 2.445 10 30 AEEERN CCCN=NC1CCCC12CC2 853289049 583218452 /nfs/dbraw/zinc/21/84/52/583218452.db2.gz IZFSPTJOFZTKHL-UHFFFAOYSA-N 0 0 166.268 2.306 10 30 AEEERN CCON=C1CC(CF)(CF)C1 853286214 583218465 /nfs/dbraw/zinc/21/84/65/583218465.db2.gz KGRYYIUGOKPIJI-UHFFFAOYSA-N 0 0 177.194 2.098 10 30 AEEERN CCON=C1CCCSCC1 853285948 583218500 /nfs/dbraw/zinc/21/85/00/583218500.db2.gz CUFFHUNQHUODDN-UHFFFAOYSA-N 0 0 173.281 2.296 10 30 AEEERN CCON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853286238 583218682 /nfs/dbraw/zinc/21/86/82/583218682.db2.gz KZLWDACUFXJVJX-BBBLOLIVSA-N 0 0 167.252 2.445 10 30 AEEERN CON=C[C@H](OC)C1CCCCC1 853289202 583218692 /nfs/dbraw/zinc/21/86/92/583218692.db2.gz MFSUMSZYMRLMGO-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN CCON=C(C)CSCCF 853285953 583218699 /nfs/dbraw/zinc/21/86/99/583218699.db2.gz DCHPYJCFDOLZHZ-UHFFFAOYSA-N 0 0 179.260 2.102 10 30 AEEERN CCCNN=C(C)CSCCF 853288255 583218703 /nfs/dbraw/zinc/21/87/03/583218703.db2.gz ARCJBDXFWIEVHG-UHFFFAOYSA-N 0 0 192.303 2.065 10 30 AEEERN CON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853289827 583218724 /nfs/dbraw/zinc/21/87/24/583218724.db2.gz QRWGZURKELGJHC-HLTSFMKQSA-N 0 0 153.225 2.055 10 30 AEEERN CSCCON=C[C@H]1C[C@@H]2C[C@@H]2C1 853340837 583219108 /nfs/dbraw/zinc/21/91/08/583219108.db2.gz BHTVYAHWCFQAGF-ILWJIGKKSA-N 0 0 199.319 2.398 10 30 AEEERN CC[C@H](C)N=NC1COC2(CCC2)C1 853337200 583219135 /nfs/dbraw/zinc/21/91/35/583219135.db2.gz DOMGRYQTBIIACU-VIFPVBQESA-N 0 0 196.294 2.074 10 30 AEEERN CO[C@H](C=NOC1CCCC1)C1CC1 853327878 583219143 /nfs/dbraw/zinc/21/91/43/583219143.db2.gz FPYBVPPRDOEJPD-LLVKDONJSA-N 0 0 197.278 2.356 10 30 AEEERN CC[C@H]1COCC1=NOC1CCCC1 853327915 583219168 /nfs/dbraw/zinc/21/91/68/583219168.db2.gz GKCWYBLPVZPJFF-VIFPVBQESA-N 0 0 197.278 2.358 10 30 AEEERN CO[C@@H](C=NOC1CCCC1)C1CC1 853327879 583219196 /nfs/dbraw/zinc/21/91/96/583219196.db2.gz FPYBVPPRDOEJPD-NSHDSACASA-N 0 0 197.278 2.356 10 30 AEEERN C1CSCCC(N=NC2CC2)C1 853333295 583219197 /nfs/dbraw/zinc/21/91/97/583219197.db2.gz GUNKVYSWXOYAEB-UHFFFAOYSA-N 0 0 184.308 2.012 10 30 AEEERN C1CC(=NNC2CC2)C2(C1)CC2 853333560 583219344 /nfs/dbraw/zinc/21/93/44/583219344.db2.gz MUNGIQQLBOOTDL-UHFFFAOYSA-N 0 0 164.252 2.059 10 30 AEEERN CC[C@@H]1COCC1=NOC1CCCC1 853327914 583219415 /nfs/dbraw/zinc/21/94/15/583219415.db2.gz GKCWYBLPVZPJFF-SECBINFHSA-N 0 0 197.278 2.358 10 30 AEEERN CC[C@@H](C)NN=C1COC2(CCC2)C1 853337198 583219433 /nfs/dbraw/zinc/21/94/33/583219433.db2.gz DOMGRYQTBIIACU-SECBINFHSA-N 0 0 196.294 2.074 10 30 AEEERN CCOCCON=C[C@H]1C[C@@H]2C[C@@H]2C1 853334531 583219552 /nfs/dbraw/zinc/21/95/52/583219552.db2.gz JAALUSRHRYSBQC-JGPRNRPPSA-N 0 0 197.278 2.071 10 30 AEEERN FC(F)CON=C[C@H]1C[C@@H]2C[C@@H]2C1 853333367 583219689 /nfs/dbraw/zinc/21/96/89/583219689.db2.gz JHLWAFOKKJBBSH-RNLVFQAGSA-N 0 0 189.205 2.300 10 30 AEEERN CCOCCON=C1CCCC12CC2 853335070 583219748 /nfs/dbraw/zinc/21/97/48/583219748.db2.gz ZEOVTMQGDHJOBY-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN C1CC(ON=C2COC3(CCC3)C2)C1 853349267 583220037 /nfs/dbraw/zinc/22/00/37/583220037.db2.gz WQODWSKYXRGRPT-UHFFFAOYSA-N 0 0 195.262 2.255 10 30 AEEERN CCCON=C1COC2(CCC2)C1 853369278 583220041 /nfs/dbraw/zinc/22/00/41/583220041.db2.gz VUPRWFQOHOFXKV-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN COCCCON=C1CCCC12CC2 853346370 583220075 /nfs/dbraw/zinc/22/00/75/583220075.db2.gz ZLQYPSQNQPIXHM-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN C(=NOCC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1 853349458 583220085 /nfs/dbraw/zinc/22/00/85/583220085.db2.gz YTEXAIJWNFZSBY-JGPRNRPPSA-N 0 0 179.263 2.445 10 30 AEEERN C#CC1CCC(=NNCC(=C)C)CC1 853346467 583220089 /nfs/dbraw/zinc/22/00/89/583220089.db2.gz CDZJNIUIBUBZIK-UHFFFAOYSA-N 0 0 190.290 2.332 10 30 AEEERN C1CC(ON=C2CO[C@H](C3CC3)C2)C1 853348138 583220120 /nfs/dbraw/zinc/22/01/20/583220120.db2.gz APKWSLSBSIXHGU-NSHDSACASA-N 0 0 195.262 2.110 10 30 AEEERN C=CCNN=C1C[C@H]2CC[C@@H](C1)C2 853344154 583220143 /nfs/dbraw/zinc/22/01/43/583220143.db2.gz FPTUAOXJGZOILU-AOOOYVTPSA-N 0 0 178.279 2.328 10 30 AEEERN C=CCNN=C(C)CC(C)(C)C#N 853344135 583220241 /nfs/dbraw/zinc/22/02/41/583220241.db2.gz FEPXFYHJCYHNJV-UHFFFAOYSA-N 0 0 179.267 2.078 10 30 AEEERN C#CCON=C1C[C@H]2CC[C@@H](C1)C2 853347737 583220256 /nfs/dbraw/zinc/22/02/56/583220256.db2.gz PBFMOBLQRBTSJT-AOOOYVTPSA-N 0 0 177.247 2.202 10 30 AEEERN C=C(C)CNN=C1CCCC12CC2 853346919 583220288 /nfs/dbraw/zinc/22/02/88/583220288.db2.gz OIIRUNBDCMSZLY-UHFFFAOYSA-N 0 0 178.279 2.472 10 30 AEEERN C=C(C)CNN=C1CCCSCC1 853346664 583220290 /nfs/dbraw/zinc/22/02/90/583220290.db2.gz ILORSTCPYASUID-UHFFFAOYSA-N 0 0 198.335 2.425 10 30 AEEERN C#CCON=C[C@@H]1CC[C@H]2C[C@H]2C1 853347908 583220337 /nfs/dbraw/zinc/22/03/37/583220337.db2.gz UEQCEPKOPSBDQK-OUAUKWLOSA-N 0 0 177.247 2.058 10 30 AEEERN C#CCON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853347907 583220342 /nfs/dbraw/zinc/22/03/42/583220342.db2.gz UEQCEPKOPSBDQK-MXWKQRLJSA-N 0 0 177.247 2.058 10 30 AEEERN C=CCNN=C1CCCC12CC2 853343981 583220447 /nfs/dbraw/zinc/22/04/47/583220447.db2.gz AFJVLKJEDCFKPJ-UHFFFAOYSA-N 0 0 164.252 2.082 10 30 AEEERN C=C(C)CNN=C(C)CC(C)(C)C#N 853346877 583220465 /nfs/dbraw/zinc/22/04/65/583220465.db2.gz NOOBEJWCKKKTFX-UHFFFAOYSA-N 0 0 193.294 2.468 10 30 AEEERN C=C(C)CNN=C(C)C1(OC)CCC1 853347009 583220469 /nfs/dbraw/zinc/22/04/69/583220469.db2.gz PPZDDCNGFQZULB-UHFFFAOYSA-N 0 0 196.294 2.097 10 30 AEEERN C=CCNN=C1CCCSCC1 853344571 583220534 /nfs/dbraw/zinc/22/05/34/583220534.db2.gz PSOPTTFTISJSSP-UHFFFAOYSA-N 0 0 184.308 2.035 10 30 AEEERN C1CC(ON=C2CO[C@@H](C3CC3)C2)C1 853348137 583220539 /nfs/dbraw/zinc/22/05/39/583220539.db2.gz APKWSLSBSIXHGU-LLVKDONJSA-N 0 0 195.262 2.110 10 30 AEEERN COCCCON=C[C@H]1C[C@@H]2C[C@@H]2C1 853346313 583220599 /nfs/dbraw/zinc/22/05/99/583220599.db2.gz WZJGPXZLHLTVNL-JGPRNRPPSA-N 0 0 197.278 2.071 10 30 AEEERN C=CCCCN(C)c1cc(F)ncn1 853356491 583220922 /nfs/dbraw/zinc/22/09/22/583220922.db2.gz VRZPKQKUJQKEBQ-UHFFFAOYSA-N 0 0 195.241 2.018 10 30 AEEERN CC(C)ON=C1CC(CF)(CF)C1 853353668 583221034 /nfs/dbraw/zinc/22/10/34/583221034.db2.gz IWRBATBXMXOSMM-UHFFFAOYSA-N 0 0 191.221 2.487 10 30 AEEERN CC(C)ON=C[C@H]1C[C@@H]2C[C@@H]2C1 853353962 583221043 /nfs/dbraw/zinc/22/10/43/583221043.db2.gz QNDZBZJGJZUQDW-ILWJIGKKSA-N 0 0 167.252 2.443 10 30 AEEERN C=CCON=C1CCCSCC1 853354880 583221097 /nfs/dbraw/zinc/22/10/97/583221097.db2.gz BDHRICWIZMCELW-UHFFFAOYSA-N 0 0 185.292 2.462 10 30 AEEERN CCCn1nccc1C=NOC(C)C 853353409 583221204 /nfs/dbraw/zinc/22/12/04/583221204.db2.gz AHZBCLVNTRTBPM-UHFFFAOYSA-N 0 0 195.266 2.052 10 30 AEEERN C=CCON=C(C)C1(OC)CCC1 853355068 583221251 /nfs/dbraw/zinc/22/12/51/583221251.db2.gz FWGAVPMQKGNMBC-UHFFFAOYSA-N 0 0 183.251 2.134 10 30 AEEERN C=CCON=C[C@H]1CC1(Cl)Cl 853354942 583221338 /nfs/dbraw/zinc/22/13/38/583221338.db2.gz BRJBVNSIJMELLM-ZCFIWIBFSA-N 0 0 194.061 2.369 10 30 AEEERN C=CCON=C[C@H]1C[C@@H]2C[C@@H]2C1 853354874 583221402 /nfs/dbraw/zinc/22/14/02/583221402.db2.gz BCZDSBXCZWFEKY-ILWJIGKKSA-N 0 0 165.236 2.221 10 30 AEEERN CC[C@@H]1CC(=NOCCC2CC2)CO1 853351858 583221410 /nfs/dbraw/zinc/22/14/10/583221410.db2.gz XKHWHRQBZIXZOK-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)ON=C1COC2(CCC2)C1 853353655 583221440 /nfs/dbraw/zinc/22/14/40/583221440.db2.gz IPDFVLUXXPNCLY-UHFFFAOYSA-N 0 0 183.251 2.110 10 30 AEEERN CC(CSCCF)=NOC(C)C 853353416 583221442 /nfs/dbraw/zinc/22/14/42/583221442.db2.gz AKVQKNFCYDOMMR-UHFFFAOYSA-N 0 0 193.287 2.490 10 30 AEEERN C=CCCCN(C)c1cnc(F)cn1 853355474 583221560 /nfs/dbraw/zinc/22/15/60/583221560.db2.gz DQVFSJIUIFMRLA-UHFFFAOYSA-N 0 0 195.241 2.018 10 30 AEEERN C=CCON=C(C)CSCCF 853355177 583221650 /nfs/dbraw/zinc/22/16/50/583221650.db2.gz JFUQAECWPVLBTR-UHFFFAOYSA-N 0 0 191.271 2.268 10 30 AEEERN C#CC1CCC(=NOCC=C)CC1 853354963 583221665 /nfs/dbraw/zinc/22/16/65/583221665.db2.gz CIWNYAHHBJUAST-UHFFFAOYSA-N 0 0 177.247 2.368 10 30 AEEERN C=CCON=C[C@@H]1CC1(Cl)Cl 853354940 583221675 /nfs/dbraw/zinc/22/16/75/583221675.db2.gz BRJBVNSIJMELLM-LURJTMIESA-N 0 0 194.061 2.369 10 30 AEEERN C1CC2(C1)CC(=NOCC1CC1)CO2 853351719 583221678 /nfs/dbraw/zinc/22/16/78/583221678.db2.gz RCEIKSKWHTXSNX-UHFFFAOYSA-N 0 0 195.262 2.112 10 30 AEEERN C=C[C@H](C)ON=C1CO[C@@H](C2CC2)C1 853369069 583221858 /nfs/dbraw/zinc/22/18/58/583221858.db2.gz GTIVXSKEOOJKHE-GZMMTYOYSA-N 0 0 195.262 2.132 10 30 AEEERN CO[C@H](C)C(C)=NN1CCCC[C@@H]1C 853378956 583221897 /nfs/dbraw/zinc/22/18/97/583221897.db2.gz FKIWCIOEOXVJJY-GXSJLCMTSA-N 0 0 198.310 2.272 10 30 AEEERN C[C@H]1OCCC1=NN1CCCC[C@H]1C 853378830 583221968 /nfs/dbraw/zinc/22/19/68/583221968.db2.gz DBFXVVNWGDTJJS-NXEZZACHSA-N 0 0 196.294 2.026 10 30 AEEERN C=C[C@@H](C)ON=C1CO[C@H](CC)C1 853369391 583221988 /nfs/dbraw/zinc/22/19/88/583221988.db2.gz LJMUBMAJHLLCNR-PSASIEDQSA-N 0 0 183.251 2.132 10 30 AEEERN CO[C@@H](C)C(C)=NN1CCCC[C@H]1C 853378959 583222002 /nfs/dbraw/zinc/22/20/02/583222002.db2.gz FKIWCIOEOXVJJY-KOLCDFICSA-N 0 0 198.310 2.272 10 30 AEEERN C=C[C@H](C)ON=C1CO[C@H](C2CC2)C1 853369073 583222018 /nfs/dbraw/zinc/22/20/18/583222018.db2.gz GTIVXSKEOOJKHE-KWQFWETISA-N 0 0 195.262 2.132 10 30 AEEERN C=C(C)CON=C1CO[C@H](C2CC2)C1 853369078 583222104 /nfs/dbraw/zinc/22/21/04/583222104.db2.gz GUKXATXOVFWDRE-NSHDSACASA-N 0 0 195.262 2.134 10 30 AEEERN C[C@@H]1OCCC1=NN1CCCC[C@@H]1C 853378831 583222160 /nfs/dbraw/zinc/22/21/60/583222160.db2.gz DBFXVVNWGDTJJS-UWVGGRQHSA-N 0 0 196.294 2.026 10 30 AEEERN C=C(C)CON=C1COC2(CCC2)C1 853369844 583222165 /nfs/dbraw/zinc/22/21/65/583222165.db2.gz VEHKDHIKPLTJQX-UHFFFAOYSA-N 0 0 195.262 2.278 10 30 AEEERN C=C[C@@H](C)ON=C1CO[C@@H](CC)C1 853369392 583222181 /nfs/dbraw/zinc/22/21/81/583222181.db2.gz LJMUBMAJHLLCNR-SCZZXKLOSA-N 0 0 183.251 2.132 10 30 AEEERN CCCON=Cc1ccnn1CCC 853368148 583222217 /nfs/dbraw/zinc/22/22/17/583222217.db2.gz CSWBNOBCJANAEG-UHFFFAOYSA-N 0 0 195.266 2.054 10 30 AEEERN C=C(C)CON=C1CO[C@@H](CC)C1 853369953 583222286 /nfs/dbraw/zinc/22/22/86/583222286.db2.gz XHKHIZRACBEJIV-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN CCCON=C[C@H]1C[C@@H]2C[C@@H]2C1 853368024 583222301 /nfs/dbraw/zinc/22/23/01/583222301.db2.gz AHXKYBBSGCURQZ-ILWJIGKKSA-N 0 0 167.252 2.445 10 30 AEEERN COCCCC=NN1CCCC[C@@H]1C 853379946 583222316 /nfs/dbraw/zinc/22/23/16/583222316.db2.gz OPOVPXNARJJGCC-NSHDSACASA-N 0 0 198.310 2.273 10 30 AEEERN C[C@@H]1OCCC1=NN1CCCC[C@H]1C 853378833 583222334 /nfs/dbraw/zinc/22/23/34/583222334.db2.gz DBFXVVNWGDTJJS-ZJUUUORDSA-N 0 0 196.294 2.026 10 30 AEEERN C=C[C@H](C)ON=C1CO[C@H](CC)C1 853369394 583222338 /nfs/dbraw/zinc/22/23/38/583222338.db2.gz LJMUBMAJHLLCNR-WCBMZHEXSA-N 0 0 183.251 2.132 10 30 AEEERN C=C(C)CON=C1CO[C@H](CC)C1 853369955 583222375 /nfs/dbraw/zinc/22/23/75/583222375.db2.gz XHKHIZRACBEJIV-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN C=C(C)CON=C1CO[C@@H](C2CC2)C1 853369076 583222384 /nfs/dbraw/zinc/22/23/84/583222384.db2.gz GUKXATXOVFWDRE-LLVKDONJSA-N 0 0 195.262 2.134 10 30 AEEERN CCCON=C1CC(CF)(CF)C1 853368598 583222388 /nfs/dbraw/zinc/22/23/88/583222388.db2.gz NKELCFSUHYQZCI-UHFFFAOYSA-N 0 0 191.221 2.488 10 30 AEEERN C[C@H]1CCCCN1N=C1CCO[C@@H]1C 853378832 583222390 /nfs/dbraw/zinc/22/23/90/583222390.db2.gz DBFXVVNWGDTJJS-VHSXEESVSA-N 0 0 196.294 2.026 10 30 AEEERN COCCCC=NN1CCCC[C@H]1C 853379945 583222394 /nfs/dbraw/zinc/22/23/94/583222394.db2.gz OPOVPXNARJJGCC-LLVKDONJSA-N 0 0 198.310 2.273 10 30 AEEERN C1CC(=NNC23CC(C2)C3)C2(C1)CC2 853366837 583222400 /nfs/dbraw/zinc/22/24/00/583222400.db2.gz RWLRMTGUZWCSKQ-UHFFFAOYSA-N 0 0 190.290 2.449 10 30 AEEERN CCCON=C(C)CSCCF 853368123 583222401 /nfs/dbraw/zinc/22/24/01/583222401.db2.gz CGYXFBQWIZTBLU-UHFFFAOYSA-N 0 0 193.287 2.492 10 30 AEEERN C=C[C@H](C)ON=C1CO[C@@H](CC)C1 853369395 583222404 /nfs/dbraw/zinc/22/24/04/583222404.db2.gz LJMUBMAJHLLCNR-WPRPVWTQSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=C1CO[C@H](C2CC2)C1 853369071 583222409 /nfs/dbraw/zinc/22/24/09/583222409.db2.gz GTIVXSKEOOJKHE-KCJUWKMLSA-N 0 0 195.262 2.132 10 30 AEEERN C=C[C@H](C)ON=C1COC2(CCC2)C1 853369986 583222415 /nfs/dbraw/zinc/22/24/15/583222415.db2.gz BYXXYIRLFXTOLB-VIFPVBQESA-N 0 0 195.262 2.277 10 30 AEEERN CO[C@H](C)C(C)=NN1CCCC[C@H]1C 853378962 583222419 /nfs/dbraw/zinc/22/24/19/583222419.db2.gz FKIWCIOEOXVJJY-MWLCHTKSSA-N 0 0 198.310 2.272 10 30 AEEERN CCCON=Cc1nccn1C(C)C 853368343 583222426 /nfs/dbraw/zinc/22/24/26/583222426.db2.gz HEDUDWNCBKZSLI-UHFFFAOYSA-N 0 0 195.266 2.225 10 30 AEEERN C=C[C@@H](C)ON=C1COC2(CCC2)C1 853369985 583222446 /nfs/dbraw/zinc/22/24/46/583222446.db2.gz BYXXYIRLFXTOLB-SECBINFHSA-N 0 0 195.262 2.277 10 30 AEEERN CO[C@@H](C)C(C)=NN1CCCC[C@@H]1C 853378963 583222518 /nfs/dbraw/zinc/22/25/18/583222518.db2.gz FKIWCIOEOXVJJY-ONGXEEELSA-N 0 0 198.310 2.272 10 30 AEEERN C[C@@H]1CCCCN1N=Cc1ccoc1 853379066 583222913 /nfs/dbraw/zinc/22/29/13/583222913.db2.gz CTGWLQZSICNJII-SNVBAGLBSA-N 0 0 192.262 2.488 10 30 AEEERN C[C@H]1CCCCN1N=CC1(F)CC1 853381325 583222927 /nfs/dbraw/zinc/22/29/27/583222927.db2.gz ALLCHGDIPUECGV-VIFPVBQESA-N 0 0 184.258 2.349 10 30 AEEERN C[C@@H]1CCCCN1N=C1CCCOC1 853381170 583222976 /nfs/dbraw/zinc/22/29/76/583222976.db2.gz XTKQOOMTRQSCLV-SNVBAGLBSA-N 0 0 196.294 2.027 10 30 AEEERN C[C@H]1CCCCN1N=C1CCCOC1 853381169 583223063 /nfs/dbraw/zinc/22/30/63/583223063.db2.gz XTKQOOMTRQSCLV-JTQLQIEISA-N 0 0 196.294 2.027 10 30 AEEERN CCC(CC)N=Nc1ccncc1F 853401680 583223107 /nfs/dbraw/zinc/22/31/07/583223107.db2.gz ZFVRCYQFXDSPKV-UHFFFAOYSA-N 0 0 195.241 2.231 10 30 AEEERN C[C@@H]1CCCCN1N=CC1(F)CC1 853381324 583223137 /nfs/dbraw/zinc/22/31/37/583223137.db2.gz ALLCHGDIPUECGV-SECBINFHSA-N 0 0 184.258 2.349 10 30 AEEERN COC[C@H](C)C=NN1CCCC[C@@H]1C 853380437 583223188 /nfs/dbraw/zinc/22/31/88/583223188.db2.gz UDHUHIUXZSHKLV-MNOVXSKESA-N 0 0 198.310 2.129 10 30 AEEERN COC[C@@H](C)C=NN1CCCC[C@@H]1C 853380439 583223316 /nfs/dbraw/zinc/22/33/16/583223316.db2.gz UDHUHIUXZSHKLV-QWRGUYRKSA-N 0 0 198.310 2.129 10 30 AEEERN COC[C@H](C)C=NN1CCCC[C@H]1C 853380434 583223390 /nfs/dbraw/zinc/22/33/90/583223390.db2.gz UDHUHIUXZSHKLV-GHMZBOCLSA-N 0 0 198.310 2.129 10 30 AEEERN COCCC(C)=NN1CCCC[C@@H]1C 853381463 583223486 /nfs/dbraw/zinc/22/34/86/583223486.db2.gz CZZJRBMNFLSJRS-NSHDSACASA-N 0 0 198.310 2.273 10 30 AEEERN COCCC(C)=NN1CCCC[C@H]1C 853381462 583223560 /nfs/dbraw/zinc/22/35/60/583223560.db2.gz CZZJRBMNFLSJRS-LLVKDONJSA-N 0 0 198.310 2.273 10 30 AEEERN COC[C@@H](C)C=NN1CCCC[C@H]1C 853380441 583223597 /nfs/dbraw/zinc/22/35/97/583223597.db2.gz UDHUHIUXZSHKLV-WDEREUQCSA-N 0 0 198.310 2.129 10 30 AEEERN C#Cc1cccnc1N1CCC2(CC2)C1 853568849 583226443 /nfs/dbraw/zinc/22/64/43/583226443.db2.gz ALMVODZBHDJMQD-UHFFFAOYSA-N 0 0 198.269 2.053 10 30 AEEERN C[C@H]1CCCCN1N=Cc1ccoc1 853379065 583223609 /nfs/dbraw/zinc/22/36/09/583223609.db2.gz CTGWLQZSICNJII-JTQLQIEISA-N 0 0 192.262 2.488 10 30 AEEERN C#Cc1cccnc1N1CCC[C@@H]2C[C@@H]21 853612155 583226640 /nfs/dbraw/zinc/22/66/40/583226640.db2.gz DPTVKPORJJIBFL-NEPJUHHUSA-N 0 0 198.269 2.052 10 30 AEEERN COCC(=NOCC1CCC1)C(C)C 853439221 583223879 /nfs/dbraw/zinc/22/38/79/583223879.db2.gz FUKIZRRFUAZFJK-UHFFFAOYSA-N 0 0 199.294 2.462 10 30 AEEERN C[C@H]1COCCC1=NOCC1CCC1 853440358 583223901 /nfs/dbraw/zinc/22/39/01/583223901.db2.gz AMCQZJJOFXIQCP-VIFPVBQESA-N 0 0 197.278 2.216 10 30 AEEERN C[C@H]1C(=NOCC2CCC2)CO[C@@H]1C 853440301 583223924 /nfs/dbraw/zinc/22/39/24/583223924.db2.gz CMIDCCMZOGTJFQ-RKDXNWHRSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1OCC(=NOCC2CCC2)[C@H]1C 853440300 583223926 /nfs/dbraw/zinc/22/39/26/583223926.db2.gz CMIDCCMZOGTJFQ-IUCAKERBSA-N 0 0 197.278 2.214 10 30 AEEERN CC(=NOCC1CCC1)[C@@H]1CCCO1 853439339 583224089 /nfs/dbraw/zinc/22/40/89/583224089.db2.gz ICYOXSPBHCUAPO-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C[C@H]1OCC(=NOCC2CCC2)[C@H]1C 853440299 583224107 /nfs/dbraw/zinc/22/41/07/583224107.db2.gz CMIDCCMZOGTJFQ-DTWKUNHWSA-N 0 0 197.278 2.214 10 30 AEEERN C(=NOCC1CCC1)c1ccns1 853440292 583224154 /nfs/dbraw/zinc/22/41/54/583224154.db2.gz CAVKRRBQWDCTMQ-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN C[C@@H]1O[C@H](C)CC1=NOCC1CCC1 853440344 583224204 /nfs/dbraw/zinc/22/42/04/583224204.db2.gz DKWQFADPAXCPNZ-BDAKNGLRSA-N 0 0 197.278 2.356 10 30 AEEERN COC[C@@H](C)C=NOCC1CCC1 853439810 583224212 /nfs/dbraw/zinc/22/42/12/583224212.db2.gz RKEFTGWOYCWTHW-VIFPVBQESA-N 0 0 185.267 2.071 10 30 AEEERN C(=NOCC1CCC1)c1ccoc1 853439292 583224215 /nfs/dbraw/zinc/22/42/15/583224215.db2.gz CXSIWHZLGSZGHB-UHFFFAOYSA-N 0 0 179.219 2.430 10 30 AEEERN COC[C@H](C)C=NOCC1CCC1 853439809 583224230 /nfs/dbraw/zinc/22/42/30/583224230.db2.gz RKEFTGWOYCWTHW-SECBINFHSA-N 0 0 185.267 2.071 10 30 AEEERN C[C@@H]1COCCC1=NOCC1CCC1 853440356 583224243 /nfs/dbraw/zinc/22/42/43/583224243.db2.gz AMCQZJJOFXIQCP-SECBINFHSA-N 0 0 197.278 2.216 10 30 AEEERN C(=NOCC1CCC1)c1ccncc1 853439368 583224269 /nfs/dbraw/zinc/22/42/69/583224269.db2.gz FNLCDYGTKXYXLM-UHFFFAOYSA-N 0 0 190.246 2.232 10 30 AEEERN C[C@H]1CC(=NOCC2CCC2)[C@@H](C)O1 853440345 583224271 /nfs/dbraw/zinc/22/42/71/583224271.db2.gz DKWQFADPAXCPNZ-DTWKUNHWSA-N 0 0 197.278 2.356 10 30 AEEERN CC[C@H]1CC(=NOCC2CCC2)CO1 853440460 583224302 /nfs/dbraw/zinc/22/43/02/583224302.db2.gz FMZYLRNNCBXCMI-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C(C[C@H]1CCOC1)=NOCC1CCC1 853439086 583224308 /nfs/dbraw/zinc/22/43/08/583224308.db2.gz ANZVZZMKXMQICY-NSHDSACASA-N 0 0 197.278 2.216 10 30 AEEERN C[C@@H]1OCC(=NOCC2CCC2)[C@@H]1C 853440298 583224312 /nfs/dbraw/zinc/22/43/12/583224312.db2.gz CMIDCCMZOGTJFQ-BDAKNGLRSA-N 0 0 197.278 2.214 10 30 AEEERN C(=NOCC1CCC1)c1cncs1 853439186 583224330 /nfs/dbraw/zinc/22/43/30/583224330.db2.gz FAOFVIARAJUAHQ-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN C(C[C@@H]1CCOC1)=NOCC1CCC1 853439085 583224376 /nfs/dbraw/zinc/22/43/76/583224376.db2.gz ANZVZZMKXMQICY-LLVKDONJSA-N 0 0 197.278 2.216 10 30 AEEERN CC[C@@H]1CC(=NOCC2CCC2)CO1 853440459 583224387 /nfs/dbraw/zinc/22/43/87/583224387.db2.gz FMZYLRNNCBXCMI-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN CCOCCC=NOCC1CCC1 853440630 583224429 /nfs/dbraw/zinc/22/44/29/583224429.db2.gz GLBCXEXKVQTZNV-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C[C@@H]1CC(=NOCC2CCC2)[C@@H](C)O1 853440348 583224393 /nfs/dbraw/zinc/22/43/93/583224393.db2.gz DKWQFADPAXCPNZ-RKDXNWHRSA-N 0 0 197.278 2.356 10 30 AEEERN C[C@H]1CC(=NOCC2CCC2)[C@H](C)O1 853440346 583224440 /nfs/dbraw/zinc/22/44/40/583224440.db2.gz DKWQFADPAXCPNZ-IUCAKERBSA-N 0 0 197.278 2.356 10 30 AEEERN CC1(C)CC(=NOCC2CCC2)CO1 853440309 583224448 /nfs/dbraw/zinc/22/44/48/583224448.db2.gz CVFLTJBJHXNXLI-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN CC1(C)OCCC1=NOCC1CCC1 853440291 583224457 /nfs/dbraw/zinc/22/44/57/583224457.db2.gz CAQZDIGWABZTPM-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN CC1(C)COCC1=NOCC1CCC1 853440899 583224463 /nfs/dbraw/zinc/22/44/63/583224463.db2.gz ONOWNRVUTITLIY-UHFFFAOYSA-N 0 0 197.278 2.216 10 30 AEEERN CC(=NOCC1CCC1)[C@H]1CCCO1 853439338 583224496 /nfs/dbraw/zinc/22/44/96/583224496.db2.gz ICYOXSPBHCUAPO-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN FC1(F)C[C@@H]1C=NOCC1CCC1 853441347 583224939 /nfs/dbraw/zinc/22/49/39/583224939.db2.gz WFZQKXNEFZBDRD-MRVPVSSYSA-N 0 0 189.205 2.444 10 30 AEEERN C(CC[C@H]1CCO1)=NOCC1CCC1 853441069 583225097 /nfs/dbraw/zinc/22/50/97/583225097.db2.gz RBXDENORAKUGBU-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN Cc1nocc1C=NOCC1CCC1 853441417 583225161 /nfs/dbraw/zinc/22/51/61/583225161.db2.gz XJXQWPGMDHOPNX-UHFFFAOYSA-N 0 0 194.234 2.134 10 30 AEEERN FC1(F)C[C@H]1C=NOCC1CCC1 853441349 583225284 /nfs/dbraw/zinc/22/52/84/583225284.db2.gz WFZQKXNEFZBDRD-QMMMGPOBSA-N 0 0 189.205 2.444 10 30 AEEERN FC1(C=NOCC2CCC2)CC1 853441000 583225287 /nfs/dbraw/zinc/22/52/87/583225287.db2.gz MQUYGFLKIUZJCQ-UHFFFAOYSA-N 0 0 171.215 2.291 10 30 AEEERN C(CC[C@@H]1CCO1)=NOCC1CCC1 853441068 583225373 /nfs/dbraw/zinc/22/53/73/583225373.db2.gz RBXDENORAKUGBU-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN COCCCC=NOCC1CCC1 853441196 583225550 /nfs/dbraw/zinc/22/55/50/583225550.db2.gz QJFRVKVZQMTVPL-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C#Cc1cccnc1N[C@@H]1CC[C@H]1C 853621024 583225986 /nfs/dbraw/zinc/22/59/86/583225986.db2.gz NJLISTPKRVLFRZ-MWLCHTKSSA-N 0 0 186.258 2.273 10 30 AEEERN C#Cc1cccnc1N1CCC[C@H]2C[C@H]21 853612156 583226021 /nfs/dbraw/zinc/22/60/21/583226021.db2.gz DPTVKPORJJIBFL-NWDGAFQWSA-N 0 0 198.269 2.052 10 30 AEEERN C#Cc1cccnc1N[C@@H]1CC[C@@H]1C 853621022 583226235 /nfs/dbraw/zinc/22/62/35/583226235.db2.gz NJLISTPKRVLFRZ-GXSJLCMTSA-N 0 0 186.258 2.273 10 30 AEEERN C#Cc1cccnc1N(C)CCC=C 853519236 583226329 /nfs/dbraw/zinc/22/63/29/583226329.db2.gz DOYKFFRYOHVFTQ-UHFFFAOYSA-N 0 0 186.258 2.075 10 30 AEEERN C#Cc1cccnc1N[C@H]1CC[C@H]1C 853621023 583226393 /nfs/dbraw/zinc/22/63/93/583226393.db2.gz NJLISTPKRVLFRZ-KOLCDFICSA-N 0 0 186.258 2.273 10 30 AEEERN C#CCOCCOc1cccc(C)c1 853635726 583226469 /nfs/dbraw/zinc/22/64/69/583226469.db2.gz GPGPJQFITOHDJB-UHFFFAOYSA-N 0 0 190.242 2.024 10 30 AEEERN C#Cc1cccnc1N[C@H]1CC[C@@H]1C 853621025 583226479 /nfs/dbraw/zinc/22/64/79/583226479.db2.gz NJLISTPKRVLFRZ-ONGXEEELSA-N 0 0 186.258 2.273 10 30 AEEERN C#Cc1cccnc1NCC[C@@H](C)F 853648731 583227096 /nfs/dbraw/zinc/22/70/96/583227096.db2.gz ODDFAJDYGTXDHZ-SECBINFHSA-N 0 0 192.237 2.223 10 30 AEEERN C#Cc1cccnc1NCCCCF 853639684 583227174 /nfs/dbraw/zinc/22/71/74/583227174.db2.gz QWAAFLAFDYUUPV-UHFFFAOYSA-N 0 0 192.237 2.225 10 30 AEEERN CC1(C)C[C@@H](ON=C2CCC2)CO1 853669241 583227211 /nfs/dbraw/zinc/22/72/11/583227211.db2.gz FZUKBXLAKZQXJK-SECBINFHSA-N 0 0 183.251 2.110 10 30 AEEERN CC1(C)C[C@H](ON=C2CCC2)CO1 853669242 583227335 /nfs/dbraw/zinc/22/73/35/583227335.db2.gz FZUKBXLAKZQXJK-VIFPVBQESA-N 0 0 183.251 2.110 10 30 AEEERN C#Cc1cccnc1NCC[C@H](C)F 853648732 583227588 /nfs/dbraw/zinc/22/75/88/583227588.db2.gz ODDFAJDYGTXDHZ-VIFPVBQESA-N 0 0 192.237 2.223 10 30 AEEERN CO[C@H](CON=C1CCC1)C1CCC1 853669020 583227936 /nfs/dbraw/zinc/22/79/36/583227936.db2.gz AXVVYTFSPJVDTH-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN N#CCC1(CON=C2CCC2)CC1 853668999 583228167 /nfs/dbraw/zinc/22/81/67/583228167.db2.gz ADFCKVSLCCAUED-UHFFFAOYSA-N 0 0 178.235 2.237 10 30 AEEERN CO[C@@H](CON=C1CCC1)C1CCC1 853669021 583228283 /nfs/dbraw/zinc/22/82/83/583228283.db2.gz AXVVYTFSPJVDTH-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN c1ncc(CON=C2CCC2)s1 853669073 583228427 /nfs/dbraw/zinc/22/84/27/583228427.db2.gz DCZWKCIKOJXUFC-UHFFFAOYSA-N 0 0 182.248 2.200 10 30 AEEERN C(=NOCCC[C@H]1CCOC1)C1CC1 853736154 583229282 /nfs/dbraw/zinc/22/92/82/583229282.db2.gz NUAYEOFBWLZQAB-NSHDSACASA-N 0 0 197.278 2.216 10 30 AEEERN Cc1ccncc1CON=CC1CC1 853735878 583229488 /nfs/dbraw/zinc/22/94/88/583229488.db2.gz CWLQHIWDLOREOU-UHFFFAOYSA-N 0 0 190.246 2.302 10 30 AEEERN C#Cc1cccnc1N[C@H]1C[C@@H]2C[C@@H]2C1 853702017 583229742 /nfs/dbraw/zinc/22/97/42/583229742.db2.gz CNOKFPAZFVZSFV-ZSBIGDGJSA-N 0 0 198.269 2.273 10 30 AEEERN Cc1cnc([C@H](C)ON=CC2CC2)o1 853735215 583229765 /nfs/dbraw/zinc/22/97/65/583229765.db2.gz QJVZCZFYVJQNFY-QMMMGPOBSA-N 0 0 194.234 2.456 10 30 AEEERN C(=NOCCC[C@@H]1CCOC1)C1CC1 853736153 583229781 /nfs/dbraw/zinc/22/97/81/583229781.db2.gz NUAYEOFBWLZQAB-LLVKDONJSA-N 0 0 197.278 2.216 10 30 AEEERN N#CC1(CON=CC2CC2)CCC1 853735875 583229794 /nfs/dbraw/zinc/22/97/94/583229794.db2.gz CUHNHTFNHRFTBE-UHFFFAOYSA-N 0 0 178.235 2.093 10 30 AEEERN Cc1noc(C)c1CON=CC1CC1 853735874 583229807 /nfs/dbraw/zinc/22/98/07/583229807.db2.gz CSKSHRKHLPDIOM-UHFFFAOYSA-N 0 0 194.234 2.204 10 30 AEEERN CCCCCCCn1c(=O)ccn1C 853706162 583229824 /nfs/dbraw/zinc/22/98/24/583229824.db2.gz JBBAUPLMXNPOMG-UHFFFAOYSA-N 0 0 196.294 2.157 10 30 AEEERN CCc1cnc(CON=CC2CC2)o1 853734426 583230226 /nfs/dbraw/zinc/23/02/26/583230226.db2.gz AFKXLHUZBJBIFB-UHFFFAOYSA-N 0 0 194.234 2.149 10 30 AEEERN Cc1ncccc1CON=CC1CC1 853735970 583230229 /nfs/dbraw/zinc/23/02/29/583230229.db2.gz GXBDJWYFWSFDJM-UHFFFAOYSA-N 0 0 190.246 2.302 10 30 AEEERN Cc1cnc(CON=CC2CC2)s1 853734611 583230243 /nfs/dbraw/zinc/23/02/43/583230243.db2.gz GRNNIZPKPCMPGV-UHFFFAOYSA-N 0 0 196.275 2.364 10 30 AEEERN C=C(Cl)Cn1cnc(C(C)C)n1 853730042 583230278 /nfs/dbraw/zinc/23/02/78/583230278.db2.gz DWAMFJJOHGSKGS-UHFFFAOYSA-N 0 0 185.658 2.154 10 30 AEEERN Cc1csc(CON=CC2CC2)n1 853735988 583230514 /nfs/dbraw/zinc/23/05/14/583230514.db2.gz HMQNJPGUIILEHQ-UHFFFAOYSA-N 0 0 196.275 2.364 10 30 AEEERN Cc1cccc(CON=CC2CC2)n1 853735854 583230576 /nfs/dbraw/zinc/23/05/76/583230576.db2.gz CBPWYPFRCIPVDM-UHFFFAOYSA-N 0 0 190.246 2.302 10 30 AEEERN C[C@H]1C[C@@H](CON=CC2CC2)CCO1 853735112 583230578 /nfs/dbraw/zinc/23/05/78/583230578.db2.gz OQDQKKFYFNRQQF-ONGXEEELSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1C[C@H](CON=CC2CC2)CCO1 853735110 583230586 /nfs/dbraw/zinc/23/05/86/583230586.db2.gz OQDQKKFYFNRQQF-MWLCHTKSSA-N 0 0 197.278 2.214 10 30 AEEERN C(=NOCCOCC1CCC1)C1CC1 853735926 583230587 /nfs/dbraw/zinc/23/05/87/583230587.db2.gz FMKYRAWJCOKJHB-UHFFFAOYSA-N 0 0 197.278 2.216 10 30 AEEERN CC(C)[C@@H](C)ON=CC1CC1 853735978 583230592 /nfs/dbraw/zinc/23/05/92/583230592.db2.gz HGZNCVBQQBOTOD-MRVPVSSYSA-N 0 0 155.241 2.443 10 30 AEEERN C[C@H]1C[C@H](CON=CC2CC2)CCO1 853735107 583230602 /nfs/dbraw/zinc/23/06/02/583230602.db2.gz OQDQKKFYFNRQQF-GXSJLCMTSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1C[C@@H](CON=CC2CC2)CCO1 853735109 583230606 /nfs/dbraw/zinc/23/06/06/583230606.db2.gz OQDQKKFYFNRQQF-KOLCDFICSA-N 0 0 197.278 2.214 10 30 AEEERN Fc1cncc(CON=CC2CC2)c1 853735850 583230867 /nfs/dbraw/zinc/23/08/67/583230867.db2.gz BVNNTBGMABZALL-UHFFFAOYSA-N 0 0 194.209 2.133 10 30 AEEERN C(=NOCc1nccs1)C1CC1 853734698 583230968 /nfs/dbraw/zinc/23/09/68/583230968.db2.gz HFJNDSDLFKZUAP-UHFFFAOYSA-N 0 0 182.248 2.056 10 30 AEEERN CCCCON=CC1CC1 853735907 583230929 /nfs/dbraw/zinc/23/09/29/583230929.db2.gz DVXZBVROLVXVSX-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN C=CCCCON=CC1CC1 853734448 583230934 /nfs/dbraw/zinc/23/09/34/583230934.db2.gz BDBDOHILNMLABN-UHFFFAOYSA-N 0 0 153.225 2.365 10 30 AEEERN CC(C)[C@H](C)ON=CC1CC1 853735979 583230940 /nfs/dbraw/zinc/23/09/40/583230940.db2.gz HGZNCVBQQBOTOD-QMMMGPOBSA-N 0 0 155.241 2.443 10 30 AEEERN C(=NOCC[C@H]1CCCCO1)C1CC1 853736051 583230980 /nfs/dbraw/zinc/23/09/80/583230980.db2.gz JYSBWUNDQSMNHQ-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN COCCCCCON=CC1CC1 853734486 583230994 /nfs/dbraw/zinc/23/09/94/583230994.db2.gz DPQSCQHRZHLWLG-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN FC1(F)CC(CON=CC2CC2)C1 853735906 583231024 /nfs/dbraw/zinc/23/10/24/583231024.db2.gz DUVRXQQEAKOXRV-UHFFFAOYSA-N 0 0 189.205 2.444 10 30 AEEERN C(=NOCC[C@@H]1CCCCO1)C1CC1 853736052 583231026 /nfs/dbraw/zinc/23/10/26/583231026.db2.gz JYSBWUNDQSMNHQ-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C(=NOC[C@H]1C[C@@H]2C[C@@H]2C1)C1CC1 853736210 583231272 /nfs/dbraw/zinc/23/12/72/583231272.db2.gz QGGSSCHIXKLZOT-JGPRNRPPSA-N 0 0 179.263 2.445 10 30 AEEERN CO[C@H](CON=CC1CC1)C1CCC1 853736276 583231277 /nfs/dbraw/zinc/23/12/77/583231277.db2.gz UHHPKNKQYQEHJD-LLVKDONJSA-N 0 0 197.278 2.214 10 30 AEEERN CC1(CON=C[C@@H]2CCCO2)CCC1 853750756 583231287 /nfs/dbraw/zinc/23/12/87/583231287.db2.gz UQQUNSOCXBLRNB-JTQLQIEISA-N 0 0 197.278 2.358 10 30 AEEERN C=C(CC)CON=C[C@H]1CCCO1 853751636 583231310 /nfs/dbraw/zinc/23/13/10/583231310.db2.gz JYRDRPAFIDCJQU-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN CC(C)CCON=C[C@H]1CCCO1 853751255 583231316 /nfs/dbraw/zinc/23/13/16/583231316.db2.gz YLEANLZWZBGWJA-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN C(=NOCCC1CCC1)[C@@H]1CCCO1 853750137 583231344 /nfs/dbraw/zinc/23/13/44/583231344.db2.gz KRIFIPBLPKZZLD-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)[C@@H](C)ON=C[C@@H]1CCCO1 853749778 583231415 /nfs/dbraw/zinc/23/14/15/583231415.db2.gz CCSLTWLGRASWDD-ZJUUUORDSA-N 0 0 185.267 2.212 10 30 AEEERN C=C(C)CCON=C[C@H]1CCCO1 853751672 583231438 /nfs/dbraw/zinc/23/14/38/583231438.db2.gz KUGXOFIQTHILHG-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN CC(C)=CCON=C[C@H]1CCCO1 853752514 583231489 /nfs/dbraw/zinc/23/14/89/583231489.db2.gz WKBRKMNWBMXOKS-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN C=C(CC)CON=C[C@@H]1CCCO1 853751635 583231503 /nfs/dbraw/zinc/23/15/03/583231503.db2.gz JYRDRPAFIDCJQU-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN CC(C)[C@@H](C)ON=C[C@H]1CCCO1 853749775 583231527 /nfs/dbraw/zinc/23/15/27/583231527.db2.gz CCSLTWLGRASWDD-NXEZZACHSA-N 0 0 185.267 2.212 10 30 AEEERN C=C(C)CCON=C[C@@H]1CCCO1 853751671 583231534 /nfs/dbraw/zinc/23/15/34/583231534.db2.gz KUGXOFIQTHILHG-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN CC1(CON=C[C@H]2CCCO2)CCC1 853750758 583231564 /nfs/dbraw/zinc/23/15/64/583231564.db2.gz UQQUNSOCXBLRNB-SNVBAGLBSA-N 0 0 197.278 2.358 10 30 AEEERN C1=CCC(CON=C[C@H]2CCCO2)C1 853749887 583231571 /nfs/dbraw/zinc/23/15/71/583231571.db2.gz FUTGNWMYLUWEIF-LLVKDONJSA-N 0 0 195.262 2.134 10 30 AEEERN C1=CCC(CON=C[C@@H]2CCCO2)C1 853749888 583231576 /nfs/dbraw/zinc/23/15/76/583231576.db2.gz FUTGNWMYLUWEIF-NSHDSACASA-N 0 0 195.262 2.134 10 30 AEEERN C(=NOCC1CCCC1)[C@H]1CCCO1 853751528 583231606 /nfs/dbraw/zinc/23/16/06/583231606.db2.gz HTCNAKXJPDSNAM-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN CCCCCON=C[C@@H]1CCCO1 853751284 583231608 /nfs/dbraw/zinc/23/16/08/583231608.db2.gz ZLKPQNLPMDALDV-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN CCCCCON=C[C@H]1CCCO1 853751286 583231638 /nfs/dbraw/zinc/23/16/38/583231638.db2.gz ZLKPQNLPMDALDV-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN C(=NOCC1=CCCC1)[C@@H]1CCCO1 853750545 583231653 /nfs/dbraw/zinc/23/16/53/583231653.db2.gz RIGTXVCRMPJTHL-NSHDSACASA-N 0 0 195.262 2.278 10 30 AEEERN C=C(C)CCON=CC1CC1 853736274 583231657 /nfs/dbraw/zinc/23/16/57/583231657.db2.gz UCHFSTAIVVHFNM-UHFFFAOYSA-N 0 0 153.225 2.365 10 30 AEEERN C(=NOCc1cncs1)C1CC1 853736348 583231669 /nfs/dbraw/zinc/23/16/69/583231669.db2.gz XNRMEWKUXNDKHW-UHFFFAOYSA-N 0 0 182.248 2.056 10 30 AEEERN C(=NOCC1CCCC1)[C@@H]1CCCO1 853751529 583231679 /nfs/dbraw/zinc/23/16/79/583231679.db2.gz HTCNAKXJPDSNAM-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)CCON=C[C@@H]1CCCO1 853751254 583231688 /nfs/dbraw/zinc/23/16/88/583231688.db2.gz YLEANLZWZBGWJA-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN CO[C@@H](CON=CC1CC1)C1CCC1 853736277 583231733 /nfs/dbraw/zinc/23/17/33/583231733.db2.gz UHHPKNKQYQEHJD-NSHDSACASA-N 0 0 197.278 2.214 10 30 AEEERN CC(C)=CCON=C[C@@H]1CCCO1 853752513 583231738 /nfs/dbraw/zinc/23/17/38/583231738.db2.gz WKBRKMNWBMXOKS-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN C(=NOCCC1CCC1)[C@H]1CCCO1 853750136 583231741 /nfs/dbraw/zinc/23/17/41/583231741.db2.gz KRIFIPBLPKZZLD-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN C(=NOCC1=CCCC1)[C@H]1CCCO1 853750544 583231750 /nfs/dbraw/zinc/23/17/50/583231750.db2.gz RIGTXVCRMPJTHL-LLVKDONJSA-N 0 0 195.262 2.278 10 30 AEEERN CC(C)[C@H](C)ON=C[C@@H]1CCCO1 853749776 583231757 /nfs/dbraw/zinc/23/17/57/583231757.db2.gz CCSLTWLGRASWDD-UWVGGRQHSA-N 0 0 185.267 2.212 10 30 AEEERN CC(C)[C@H](C)ON=C[C@H]1CCCO1 853749777 583231832 /nfs/dbraw/zinc/23/18/32/583231832.db2.gz CCSLTWLGRASWDD-VHSXEESVSA-N 0 0 185.267 2.212 10 30 AEEERN Cc1ccc(N[C@H]2C=CCC2)nc1C#N 853799482 583232191 /nfs/dbraw/zinc/23/21/91/583232191.db2.gz HCTPGPGOLVQNLL-JTQLQIEISA-N 0 0 199.257 2.392 10 30 AEEERN C=CCSCCOC(F)F 853766651 583232349 /nfs/dbraw/zinc/23/23/49/583232349.db2.gz DQSDUHSKFRJVRY-UHFFFAOYSA-N 0 0 168.208 2.145 10 30 AEEERN C#CCCCSCCOC(F)F 853771173 583232489 /nfs/dbraw/zinc/23/24/89/583232489.db2.gz UOBZMMQUTWYGPM-UHFFFAOYSA-N 0 0 194.246 2.372 10 30 AEEERN CC#CCCSCCOC(F)F 853796686 583232563 /nfs/dbraw/zinc/23/25/63/583232563.db2.gz VXAOWEDMXIXZRK-UHFFFAOYSA-N 0 0 194.246 2.372 10 30 AEEERN C=CCCCON=C[C@@H]1CCCO1 853753432 583232632 /nfs/dbraw/zinc/23/26/32/583232632.db2.gz IWBZZIOCXTYOPP-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN C=CCCNc1ncc(SC)cn1 853790233 583232655 /nfs/dbraw/zinc/23/26/55/583232655.db2.gz CEWKIUAGBIDVPU-UHFFFAOYSA-N 0 0 195.291 2.187 10 30 AEEERN Cc1ccc(N[C@@H]2C=CCC2)nc1C#N 853799483 583232658 /nfs/dbraw/zinc/23/26/58/583232658.db2.gz HCTPGPGOLVQNLL-SNVBAGLBSA-N 0 0 199.257 2.392 10 30 AEEERN C=CCCCON=C[C@H]1CCCO1 853753433 583232682 /nfs/dbraw/zinc/23/26/82/583232682.db2.gz IWBZZIOCXTYOPP-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN C#Cc1cccnc1N1CC2CC1(C)C2 853997113 583233348 /nfs/dbraw/zinc/23/33/48/583233348.db2.gz IODOQJVQTFMBBS-UHFFFAOYSA-N 0 0 198.269 2.052 10 30 AEEERN C=C1CCC(C(=O)OCCF)CC1 885649665 583233504 /nfs/dbraw/zinc/23/35/04/583233504.db2.gz GASKAUQPQYVCGJ-UHFFFAOYSA-N 0 0 186.226 2.246 10 30 AEEERN C=CCOC(=O)C1CCC(=C)CC1 885651582 583233564 /nfs/dbraw/zinc/23/35/64/583233564.db2.gz BSHHVXWJFMWDMY-UHFFFAOYSA-N 0 0 180.247 2.462 10 30 AEEERN C=C1CCC(C(=O)OCC#CC)CC1 885651643 583233598 /nfs/dbraw/zinc/23/35/98/583233598.db2.gz CLQAFILHTMPQQR-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN C=C(C)c1cnn(C)c1C(F)(F)F 854190180 583235121 /nfs/dbraw/zinc/23/51/21/583235121.db2.gz OJJQGSXSMWRODF-UHFFFAOYSA-N 0 0 190.168 2.472 10 30 AEEERN CC(C)C#CC(=O)N1CCCC[C@H]1C 854182088 583234453 /nfs/dbraw/zinc/23/44/53/583234453.db2.gz HGCRSKWKKAXKKZ-LLVKDONJSA-N 0 0 193.290 2.047 10 30 AEEERN CC(C)C#CC(=O)N1CCCC[C@@H]1C 854182089 583234726 /nfs/dbraw/zinc/23/47/26/583234726.db2.gz HGCRSKWKKAXKKZ-NSHDSACASA-N 0 0 193.290 2.047 10 30 AEEERN C=C[C@H](C)ONC(=O)[C@H]1CCC1(C)C 855028144 583244597 /nfs/dbraw/zinc/24/45/97/583244597.db2.gz POUPWZXSNRVLNN-DTWKUNHWSA-N 0 0 197.278 2.045 10 30 AEEERN C=C(C)CONC(=O)[C@@H]1CCC1(C)C 855026603 583244775 /nfs/dbraw/zinc/24/47/75/583244775.db2.gz KCZQVFCLJWFGRK-VIFPVBQESA-N 0 0 197.278 2.047 10 30 AEEERN C=C[C@@H](C)ONC(=O)[C@H]1CCC1(C)C 855028146 583244783 /nfs/dbraw/zinc/24/47/83/583244783.db2.gz POUPWZXSNRVLNN-RKDXNWHRSA-N 0 0 197.278 2.045 10 30 AEEERN C=C[C@@H](C)ONC(=O)[C@@H]1CCC1(C)C 855028143 583245036 /nfs/dbraw/zinc/24/50/36/583245036.db2.gz POUPWZXSNRVLNN-BDAKNGLRSA-N 0 0 197.278 2.045 10 30 AEEERN C=C[C@H](C)ONC(=O)[C@@H]1CCC1(C)C 855028145 583245064 /nfs/dbraw/zinc/24/50/64/583245064.db2.gz POUPWZXSNRVLNN-IUCAKERBSA-N 0 0 197.278 2.045 10 30 AEEERN C=C(C)CONC(=O)[C@H]1CCC1(C)C 855026602 583245214 /nfs/dbraw/zinc/24/52/14/583245214.db2.gz KCZQVFCLJWFGRK-SECBINFHSA-N 0 0 197.278 2.047 10 30 AEEERN CC(C)ON=C1CCCC1 113138317 583245574 /nfs/dbraw/zinc/24/55/74/583245574.db2.gz FDEVAQMFNAEWAR-UHFFFAOYSA-N 0 0 141.214 2.341 10 30 AEEERN C=CCCNC(=O)/C(=C\C)CC 855382759 583246799 /nfs/dbraw/zinc/24/67/99/583246799.db2.gz GEBDFLMLWDPEPL-UITAMQMPSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCNC(=O)C=C1CCCC1 855381744 583246738 /nfs/dbraw/zinc/24/67/38/583246738.db2.gz CLDXNXCAKUBSOP-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN C=CCCNC(=O)/C(=C/C)CC 855382760 583246977 /nfs/dbraw/zinc/24/69/77/583246977.db2.gz GEBDFLMLWDPEPL-WEVVVXLNSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCNC(=O)/C=C\C(C)(C)C 855381712 583247202 /nfs/dbraw/zinc/24/72/02/583247202.db2.gz BZSPHGQPKDXBNK-FPLPWBNLSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCCNC(=O)C(C)=C(C)C 855381718 583247306 /nfs/dbraw/zinc/24/73/06/583247306.db2.gz CCQXXAGDAFVBGK-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCNC(=O)/C=C/C(C)(C)C 855381711 583247329 /nfs/dbraw/zinc/24/73/29/583247329.db2.gz BZSPHGQPKDXBNK-BQYQJAHWSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCCNC(=O)C(F)=C1CCC1 855380533 583247452 /nfs/dbraw/zinc/24/74/52/583247452.db2.gz ARETVIATWGLOHR-UHFFFAOYSA-N 0 0 183.226 2.086 10 30 AEEERN CC#CC(=O)N1CCC[C@H]1CC(C)C 113768164 583252927 /nfs/dbraw/zinc/25/29/27/583252927.db2.gz BLHJWGVNMPQXDY-NSHDSACASA-N 0 0 193.290 2.047 10 30 AEEERN C=CCCONC(=O)/C=C/C(C)(C)C 856032052 583253798 /nfs/dbraw/zinc/25/37/98/583253798.db2.gz IQUFTCIQDRYAPJ-BQYQJAHWSA-N 0 0 197.278 2.213 10 30 AEEERN C=CCCONC(=O)/C=C(/C)CCC 856030523 583253855 /nfs/dbraw/zinc/25/38/55/583253855.db2.gz HGWWCTSUVCDWQM-KTKRTIGZSA-N 0 0 197.278 2.357 10 30 AEEERN C=CCCONC(=O)/C=C\C(C)(C)C 856032054 583253957 /nfs/dbraw/zinc/25/39/57/583253957.db2.gz IQUFTCIQDRYAPJ-FPLPWBNLSA-N 0 0 197.278 2.213 10 30 AEEERN C=CCCONC(=O)[C@@H](C)CC(C)C 856033193 583253960 /nfs/dbraw/zinc/25/39/60/583253960.db2.gz AVPLSEJWTFZWCG-JTQLQIEISA-N 0 0 199.294 2.293 10 30 AEEERN C=CCCONC(=O)[C@H]1CCC1(C)C 856028623 583254037 /nfs/dbraw/zinc/25/40/37/583254037.db2.gz YWSGOZQNRCJXDE-SECBINFHSA-N 0 0 197.278 2.047 10 30 AEEERN C=CCCONC(=O)[C@H](C)CC(C)C 856033194 583254240 /nfs/dbraw/zinc/25/42/40/583254240.db2.gz AVPLSEJWTFZWCG-SNVBAGLBSA-N 0 0 199.294 2.293 10 30 AEEERN C=CCCONC(=O)[C@@H]1CCC1(C)C 856028625 583254363 /nfs/dbraw/zinc/25/43/63/583254363.db2.gz YWSGOZQNRCJXDE-VIFPVBQESA-N 0 0 197.278 2.047 10 30 AEEERN C=CCCONC(=O)/C=C(\C)CCC 856030524 583254370 /nfs/dbraw/zinc/25/43/70/583254370.db2.gz HGWWCTSUVCDWQM-MDZDMXLPSA-N 0 0 197.278 2.357 10 30 AEEERN C=CCCCC(=O)N(CC)[C@H](C)C#N 856075016 583254696 /nfs/dbraw/zinc/25/46/96/583254696.db2.gz GXWPPUSWQCPOLW-SNVBAGLBSA-N 0 0 194.278 2.103 10 30 AEEERN C=CCCCC(=O)N(CC)[C@@H](C)C#N 856075015 583254822 /nfs/dbraw/zinc/25/48/22/583254822.db2.gz GXWPPUSWQCPOLW-JTQLQIEISA-N 0 0 194.278 2.103 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C 856202150 583255445 /nfs/dbraw/zinc/25/54/45/583255445.db2.gz DVWOPKZUHJGJNO-VMDCKITASA-N 0 0 191.274 2.272 10 30 AEEERN C#CC(=O)N(C)CCCC(CC)CC 856169187 583255522 /nfs/dbraw/zinc/25/55/22/583255522.db2.gz KDZQWQSQHURJMW-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\C 856202151 583255776 /nfs/dbraw/zinc/25/57/76/583255776.db2.gz DVWOPKZUHJGJNO-XCPMARJRSA-N 0 0 191.274 2.272 10 30 AEEERN C#CCCCC(=O)NC1CC(C)(C)C1 856337570 583256417 /nfs/dbraw/zinc/25/64/17/583256417.db2.gz TXHMUYCVLVBQDD-UHFFFAOYSA-N 0 0 193.290 2.095 10 30 AEEERN C=CCCC(C)(C)NC(=O)C1(F)CC1 856374900 583256660 /nfs/dbraw/zinc/25/66/60/583256660.db2.gz KEZTWTMTHUVORL-UHFFFAOYSA-N 0 0 199.269 2.350 10 30 AEEERN C=CCCCC(=O)N1CC2CC1(C)C2 856511094 583257639 /nfs/dbraw/zinc/25/76/39/583257639.db2.gz PRIRHIMCRSTSHP-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C#C[C@@]1(O)C(C)(C)[C@@H]2CC[C@@]1(C)C2 114212008 583258238 /nfs/dbraw/zinc/25/82/38/583258238.db2.gz ITXKRWUEVAGQKF-ADEWGFFLSA-N 0 0 178.275 2.197 10 30 AEEERN Cc1cc(C=NOCCC2CC2)on1 857210267 583260009 /nfs/dbraw/zinc/26/00/09/583260009.db2.gz OFPRPMHUNASFDZ-UHFFFAOYSA-N 0 0 194.234 2.134 10 30 AEEERN C=CCN(C)c1ccc([N+](=O)[O-])cc1 114752065 583260021 /nfs/dbraw/zinc/26/00/21/583260021.db2.gz DPDFEYGTQNULFR-UHFFFAOYSA-N 0 0 192.218 2.217 10 30 AEEERN C(=NOCC1CC1)[C@H]1CCCOCC1 857209521 583261255 /nfs/dbraw/zinc/26/12/55/583261255.db2.gz AXFMORPCSKPIMS-JTQLQIEISA-N 0 0 197.278 2.216 10 30 AEEERN C=C[C@H](C)ON=C[C@H]1CCCOCC1 857210970 583261306 /nfs/dbraw/zinc/26/13/06/583261306.db2.gz JTGCAZXQJZJNNB-QWRGUYRKSA-N 0 0 197.278 2.380 10 30 AEEERN CC[C@H](C)CON=Cc1cc(C)no1 857210203 583261326 /nfs/dbraw/zinc/26/13/26/583261326.db2.gz MIDUHTKEMPBCJY-QMMMGPOBSA-N 0 0 196.250 2.380 10 30 AEEERN Cc1cc(C=NOC2CCCC2)on1 857212374 583261359 /nfs/dbraw/zinc/26/13/59/583261359.db2.gz YIZYINQKPXQOIV-UHFFFAOYSA-N 0 0 194.234 2.276 10 30 AEEERN CC(C)ON=C[C@H]1CCCOCC1 857209944 583261414 /nfs/dbraw/zinc/26/14/14/583261414.db2.gz JBYORZQDDSOJGG-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN CC[C@@H](C)CON=Cc1cc(C)no1 857210200 583261434 /nfs/dbraw/zinc/26/14/34/583261434.db2.gz MIDUHTKEMPBCJY-MRVPVSSYSA-N 0 0 196.250 2.380 10 30 AEEERN C=C(C)CON=C[C@H]1CCCOCC1 857211874 583261478 /nfs/dbraw/zinc/26/14/78/583261478.db2.gz YZDPSMWDYGSBOH-NSHDSACASA-N 0 0 197.278 2.382 10 30 AEEERN C=C[C@H](C)ON=C[C@@H]1CCCOCC1 857210971 583261544 /nfs/dbraw/zinc/26/15/44/583261544.db2.gz JTGCAZXQJZJNNB-WDEREUQCSA-N 0 0 197.278 2.380 10 30 AEEERN Cc1cc(C=NOCC2CCC2)on1 857212802 583261570 /nfs/dbraw/zinc/26/15/70/583261570.db2.gz XTLUFZXZOVBAHI-UHFFFAOYSA-N 0 0 194.234 2.134 10 30 AEEERN C(=NOC1CCC1)[C@@H]1CCCOCC1 857210470 583261786 /nfs/dbraw/zinc/26/17/86/583261786.db2.gz RLUOMPWVLARIDD-SNVBAGLBSA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)ON=C[C@@H]1CCCOCC1 857209946 583261805 /nfs/dbraw/zinc/26/18/05/583261805.db2.gz JBYORZQDDSOJGG-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN C(=NOCC1CC1)[C@@H]1CCCOCC1 857209523 583261813 /nfs/dbraw/zinc/26/18/13/583261813.db2.gz AXFMORPCSKPIMS-SNVBAGLBSA-N 0 0 197.278 2.216 10 30 AEEERN CC(C)CON=C[C@@H]1CCCOCC1 857211865 583261870 /nfs/dbraw/zinc/26/18/70/583261870.db2.gz PFPWNRZHVWGSEL-LLVKDONJSA-N 0 0 199.294 2.462 10 30 AEEERN C=C[C@@H](C)ON=C[C@H]1CCCOCC1 857210969 583261892 /nfs/dbraw/zinc/26/18/92/583261892.db2.gz JTGCAZXQJZJNNB-MNOVXSKESA-N 0 0 197.278 2.380 10 30 AEEERN CCC(CC)NN=Cc1cc(C)no1 857208057 583261923 /nfs/dbraw/zinc/26/19/23/583261923.db2.gz QKKCAWRPBNLZLB-UHFFFAOYSA-N 0 0 195.266 2.095 10 30 AEEERN CC(C)CON=C[C@H]1CCCOCC1 857211867 583262023 /nfs/dbraw/zinc/26/20/23/583262023.db2.gz PFPWNRZHVWGSEL-NSHDSACASA-N 0 0 199.294 2.462 10 30 AEEERN CCCON=C[C@H]1CCCOCC1 857210896 583262030 /nfs/dbraw/zinc/26/20/30/583262030.db2.gz HEPOQJHYNUIEDQ-JTQLQIEISA-N 0 0 185.267 2.216 10 30 AEEERN C=C(C)CON=C[C@@H]1CCCOCC1 857211873 583262103 /nfs/dbraw/zinc/26/21/03/583262103.db2.gz YZDPSMWDYGSBOH-LLVKDONJSA-N 0 0 197.278 2.382 10 30 AEEERN C=C[C@@H](C)ON=C[C@@H]1CCCOCC1 857210968 583262151 /nfs/dbraw/zinc/26/21/51/583262151.db2.gz JTGCAZXQJZJNNB-GHMZBOCLSA-N 0 0 197.278 2.380 10 30 AEEERN C(=NOC1CCC1)[C@H]1CCCOCC1 857210469 583262205 /nfs/dbraw/zinc/26/22/05/583262205.db2.gz RLUOMPWVLARIDD-JTQLQIEISA-N 0 0 197.278 2.358 10 30 AEEERN CCCON=C[C@@H]1CCCOCC1 857210897 583262453 /nfs/dbraw/zinc/26/24/53/583262453.db2.gz HEPOQJHYNUIEDQ-SNVBAGLBSA-N 0 0 185.267 2.216 10 30 AEEERN C=CCN(C(=O)C1(F)CC1)C(C)(C)C 857653414 583265641 /nfs/dbraw/zinc/26/56/41/583265641.db2.gz FYJJRCGGQDNDEK-UHFFFAOYSA-N 0 0 199.269 2.302 10 30 AEEERN C=C(C)CCN1Cc2ccncc2C1 857879358 583266880 /nfs/dbraw/zinc/26/68/80/583266880.db2.gz AYEBBSMFAUQAFW-UHFFFAOYSA-N 0 0 188.274 2.363 10 30 AEEERN C=C(CC)CN1Cc2ccncc2C1 857877663 583267174 /nfs/dbraw/zinc/26/71/74/583267174.db2.gz HQCJJWMVWLJZLI-UHFFFAOYSA-N 0 0 188.274 2.363 10 30 AEEERN C#C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C 12318133 583268043 /nfs/dbraw/zinc/26/80/43/583268043.db2.gz AXIWZGXZGAUBSU-YUSALJHKSA-N 0 0 178.275 2.197 10 30 AEEERN C#C[C@@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C 12318135 583268509 /nfs/dbraw/zinc/26/85/09/583268509.db2.gz AXIWZGXZGAUBSU-ZMLRMANQSA-N 0 0 178.275 2.197 10 30 AEEERN C=C(C)CN(CC)c1nccnc1F 858343209 583270169 /nfs/dbraw/zinc/27/01/69/583270169.db2.gz ZGPMDRMXSOWHNN-UHFFFAOYSA-N 0 0 195.241 2.018 10 30 AEEERN C=CCCCN(C)c1nccnc1F 858417342 583270865 /nfs/dbraw/zinc/27/08/65/583270865.db2.gz VKTHWNWHXBFCTN-UHFFFAOYSA-N 0 0 195.241 2.018 10 30 AEEERN C#CCCOC(=O)N1CCCC[C@H]1C 858876458 583273595 /nfs/dbraw/zinc/27/35/95/583273595.db2.gz ADSLJAHSVVPJPG-SNVBAGLBSA-N 0 0 195.262 2.021 10 30 AEEERN C#CCCOC(=O)N1CCCC[C@@H]1C 858876457 583273611 /nfs/dbraw/zinc/27/36/11/583273611.db2.gz ADSLJAHSVVPJPG-JTQLQIEISA-N 0 0 195.262 2.021 10 30 AEEERN C#CCCOC(=O)N(C)C1CCCC1 858885237 583274248 /nfs/dbraw/zinc/27/42/48/583274248.db2.gz IDBAGLQZLSVALT-UHFFFAOYSA-N 0 0 195.262 2.021 10 30 AEEERN C#CCCOC(=O)N1CCCC1(C)C 858941723 583274709 /nfs/dbraw/zinc/27/47/09/583274709.db2.gz JKWFZUMPCJHJDB-UHFFFAOYSA-N 0 0 195.262 2.021 10 30 AEEERN C#CCCOC(=O)NC[C@H](C)C(C)C 859010519 583275156 /nfs/dbraw/zinc/27/51/56/583275156.db2.gz YZCUFZRPLQWLPU-JTQLQIEISA-N 0 0 197.278 2.028 10 30 AEEERN C#CCCOC(=O)NC[C@@H](C)C(C)C 859010520 583275272 /nfs/dbraw/zinc/27/52/72/583275272.db2.gz YZCUFZRPLQWLPU-SNVBAGLBSA-N 0 0 197.278 2.028 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)CCC 200635649 583275451 /nfs/dbraw/zinc/27/54/51/583275451.db2.gz QMLJWSBNRCNJDG-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CCC 200635616 583275647 /nfs/dbraw/zinc/27/56/47/583275647.db2.gz QMLJWSBNRCNJDG-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN CC#CCN(C)C(=O)OCCC(C)C 859171274 583276614 /nfs/dbraw/zinc/27/66/14/583276614.db2.gz GNRUJZWOZITRQR-UHFFFAOYSA-N 0 0 197.278 2.124 10 30 AEEERN C[C@@H]1C[C@H]1COC(=O)C#CC(C)(C)C 859717533 583280268 /nfs/dbraw/zinc/28/02/68/583280268.db2.gz KVWUTXRCNGTGQZ-ZJUUUORDSA-N 0 0 194.274 2.235 10 30 AEEERN C[C@H]1C[C@H]1COC(=O)C#CC(C)(C)C 859717530 583280386 /nfs/dbraw/zinc/28/03/86/583280386.db2.gz KVWUTXRCNGTGQZ-UWVGGRQHSA-N 0 0 194.274 2.235 10 30 AEEERN C[C@H]1C[C@@H]1COC(=O)C#CC(C)(C)C 859717532 583280425 /nfs/dbraw/zinc/28/04/25/583280425.db2.gz KVWUTXRCNGTGQZ-VHSXEESVSA-N 0 0 194.274 2.235 10 30 AEEERN C[C@@H]1C[C@@H]1COC(=O)C#CC(C)(C)C 859717529 583280634 /nfs/dbraw/zinc/28/06/34/583280634.db2.gz KVWUTXRCNGTGQZ-NXEZZACHSA-N 0 0 194.274 2.235 10 30 AEEERN C=CCOC(=O)[C@@H]1CCCC12CC2 860175438 583282510 /nfs/dbraw/zinc/28/25/10/583282510.db2.gz WQBCBCPXVLFMTA-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN C=CCOC(=O)[C@H]1CCCC12CC2 860175393 583283368 /nfs/dbraw/zinc/28/33/68/583283368.db2.gz WQBCBCPXVLFMTA-SECBINFHSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H](C#N)OC(=O)[C@@H]1CCCC12CC2 860174525 583283799 /nfs/dbraw/zinc/28/37/99/583283799.db2.gz QCXFQYSBPKDPFL-BDAKNGLRSA-N 0 0 193.246 2.022 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCCC12CC2 860173043 583283897 /nfs/dbraw/zinc/28/38/97/583283897.db2.gz AAYCFCSUJAHCDE-JTQLQIEISA-N 0 0 192.258 2.133 10 30 AEEERN C#CCCOC(=O)[C@H]1CCCC12CC2 860173044 583283972 /nfs/dbraw/zinc/28/39/72/583283972.db2.gz AAYCFCSUJAHCDE-SNVBAGLBSA-N 0 0 192.258 2.133 10 30 AEEERN C[C@H](C#N)OC(=O)[C@H]1CCCC12CC2 860174528 583283982 /nfs/dbraw/zinc/28/39/82/583283982.db2.gz QCXFQYSBPKDPFL-RKDXNWHRSA-N 0 0 193.246 2.022 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCCC12CC2 860175631 583284027 /nfs/dbraw/zinc/28/40/27/583284027.db2.gz ZJUMVECLYGBJCT-JTQLQIEISA-N 0 0 192.258 2.133 10 30 AEEERN C[C@@H](C#N)OC(=O)[C@H]1CCCC12CC2 860174526 583284040 /nfs/dbraw/zinc/28/40/40/583284040.db2.gz QCXFQYSBPKDPFL-DTWKUNHWSA-N 0 0 193.246 2.022 10 30 AEEERN C[C@@H](C#N)OC(=O)[C@@H]1CCCC12CC2 860174527 583284059 /nfs/dbraw/zinc/28/40/59/583284059.db2.gz QCXFQYSBPKDPFL-IUCAKERBSA-N 0 0 193.246 2.022 10 30 AEEERN CC#CCOC(=O)[C@H]1CCCC12CC2 860175632 583284099 /nfs/dbraw/zinc/28/40/99/583284099.db2.gz ZJUMVECLYGBJCT-SNVBAGLBSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCCOC(=O)C(C#N)(CC)CC 860197056 583284148 /nfs/dbraw/zinc/28/41/48/583284148.db2.gz DUSJCYZAWRTEJY-UHFFFAOYSA-N 0 0 195.262 2.436 10 30 AEEERN C=C(CC)COC(=O)C12CC(C1)C2 860272178 583284409 /nfs/dbraw/zinc/28/44/09/583284409.db2.gz YEHUJUFFGWQCBO-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN C=C(Cl)COC(=O)C12CC(C1)C2 860268950 583284896 /nfs/dbraw/zinc/28/48/96/583284896.db2.gz YILHOMFUIVSAHX-UHFFFAOYSA-N 0 0 186.638 2.082 10 30 AEEERN C=CCCCOC(=O)C12CC(C1)C2 860270987 583284925 /nfs/dbraw/zinc/28/49/25/583284925.db2.gz RPULRMOTEHDBSX-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1CCCC12CC2 860561121 583285421 /nfs/dbraw/zinc/28/54/21/583285421.db2.gz MZCWWDHUFMPTLF-UWVGGRQHSA-N 0 0 192.258 2.132 10 30 AEEERN C=C(C)CCOC(=O)c1conc1C 860432509 583285585 /nfs/dbraw/zinc/28/55/85/583285585.db2.gz FCMAOUBECOGFMS-UHFFFAOYSA-N 0 0 195.218 2.106 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H]1CCCC12CC2 860561119 583285705 /nfs/dbraw/zinc/28/57/05/583285705.db2.gz MZCWWDHUFMPTLF-NXEZZACHSA-N 0 0 192.258 2.132 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1CC[C@H](C)O1 860896778 583288370 /nfs/dbraw/zinc/28/83/70/583288370.db2.gz QUSIIBKLYCFABF-GUBZILKMSA-N 0 0 198.262 2.062 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@H]1c1ccco1 860439617 583286034 /nfs/dbraw/zinc/28/60/34/583286034.db2.gz BWIVDIPTAPGQOS-RKDXNWHRSA-N 0 0 192.214 2.112 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C12CC(C1)C2 860654551 583286310 /nfs/dbraw/zinc/28/63/10/583286310.db2.gz ULYSZRHYPXGMHP-FKTRJACZSA-N 0 0 180.247 2.294 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H]1CCCC12CC2 860561124 583286329 /nfs/dbraw/zinc/28/63/29/583286329.db2.gz MZCWWDHUFMPTLF-ZJUUUORDSA-N 0 0 192.258 2.132 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C12CC(C1)C2 860654552 583286334 /nfs/dbraw/zinc/28/63/34/583286334.db2.gz ULYSZRHYPXGMHP-SILCLGDVSA-N 0 0 180.247 2.294 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H]1CCCC12CC2 860561122 583287005 /nfs/dbraw/zinc/28/70/05/583287005.db2.gz MZCWWDHUFMPTLF-VHSXEESVSA-N 0 0 192.258 2.132 10 30 AEEERN C=CC[C@@H](C)OC(=O)CCCC(C)=O 860900435 583287196 /nfs/dbraw/zinc/28/71/96/583287196.db2.gz DXDLSXQEHQHJFZ-SNVBAGLBSA-N 0 0 198.262 2.254 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H]1CC12CC2 860895956 583287252 /nfs/dbraw/zinc/28/72/52/583287252.db2.gz BWZMIISMIUCBKM-DTWKUNHWSA-N 0 0 180.247 2.294 10 30 AEEERN C#CCC[C@H](C)OC(=O)C12CC(C1)C2 860826562 583287295 /nfs/dbraw/zinc/28/72/95/583287295.db2.gz ZCRDPZXBAUJOAA-BMQDGWLCSA-N 0 0 192.258 2.132 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cncs1 860896269 583287467 /nfs/dbraw/zinc/28/74/67/583287467.db2.gz KTWAFSTWGSNCQL-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@](C)(C#N)CC 860898615 583287474 /nfs/dbraw/zinc/28/74/74/583287474.db2.gz MEBCIISRBGDXQC-ONGXEEELSA-N 0 0 195.262 2.434 10 30 AEEERN C#CCC[C@@H](C)OC(=O)C12CC(C1)C2 860826563 583287502 /nfs/dbraw/zinc/28/75/02/583287502.db2.gz ZCRDPZXBAUJOAA-GRZMOONWSA-N 0 0 192.258 2.132 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H]1CC12CC2 860895955 583287504 /nfs/dbraw/zinc/28/75/04/583287504.db2.gz BWZMIISMIUCBKM-BDAKNGLRSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cncs1 860896270 583287547 /nfs/dbraw/zinc/28/75/47/583287547.db2.gz KTWAFSTWGSNCQL-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@](C)(C#N)CC 860898613 583287552 /nfs/dbraw/zinc/28/75/52/583287552.db2.gz MEBCIISRBGDXQC-MWLCHTKSSA-N 0 0 195.262 2.434 10 30 AEEERN C=CC[C@@H](C)OC(=O)CCCC#N 860896352 583287640 /nfs/dbraw/zinc/28/76/40/583287640.db2.gz MOAZNKZLZDONBK-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@](C)(C#N)CC 860898611 583287652 /nfs/dbraw/zinc/28/76/52/583287652.db2.gz MEBCIISRBGDXQC-KOLCDFICSA-N 0 0 195.262 2.434 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1CC12CC2 860895957 583287720 /nfs/dbraw/zinc/28/77/20/583287720.db2.gz BWZMIISMIUCBKM-IUCAKERBSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC[C@H](C)OC(=O)CCCC#N 860896354 583287751 /nfs/dbraw/zinc/28/77/51/583287751.db2.gz MOAZNKZLZDONBK-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H]1CC12CC2 860895958 583287851 /nfs/dbraw/zinc/28/78/51/583287851.db2.gz BWZMIISMIUCBKM-RKDXNWHRSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H](C)CC#N 860898315 583288326 /nfs/dbraw/zinc/28/83/26/583288326.db2.gz AOEGPVOHRBLJGR-IUCAKERBSA-N 0 0 181.235 2.044 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H]1CCCCO1 860900540 583288135 /nfs/dbraw/zinc/28/81/35/583288135.db2.gz DAODXLZGAQNODX-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C#CCCCC(=O)O[C@H](C)CC=C 860898458 583288170 /nfs/dbraw/zinc/28/81/70/583288170.db2.gz JSQPOZZTSGRDKC-SNVBAGLBSA-N 0 0 180.247 2.298 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H]1CC1(F)F 860897333 583288194 /nfs/dbraw/zinc/28/81/94/583288194.db2.gz WSRQLHOLEZGSLH-RQJHMYQMSA-N 0 0 190.189 2.149 10 30 AEEERN C=CC[C@@H](C)OC(=O)C1(OC)CCC1 860900796 583288208 /nfs/dbraw/zinc/28/82/08/583288208.db2.gz HVFYBAZOAUYKCZ-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)/C=C(/C)COC 860900012 583288213 /nfs/dbraw/zinc/28/82/13/583288213.db2.gz WAJNCDWYSAVUMW-RNKPRXRFSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C)OC(=O)Cc1ccoc1 860901171 583288219 /nfs/dbraw/zinc/28/82/19/583288219.db2.gz NRBXTSIMFJQEDK-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN C=CC[C@H](C)OC(=O)c1nccs1 860897994 583288251 /nfs/dbraw/zinc/28/82/51/583288251.db2.gz AGVCTXOIWOCIAX-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C=C(/C)COC 860900014 583288254 /nfs/dbraw/zinc/28/82/54/583288254.db2.gz WAJNCDWYSAVUMW-UJICNMFASA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H]1CC1(F)F 860897330 583288277 /nfs/dbraw/zinc/28/82/77/583288277.db2.gz WSRQLHOLEZGSLH-NKWVEPMBSA-N 0 0 190.189 2.149 10 30 AEEERN C=CC[C@H](C)OC(=O)C1(C#N)CCC1 860902331 583288279 /nfs/dbraw/zinc/28/82/79/583288279.db2.gz AWCOVCVCFNKIGH-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1conc1C 860896814 583288297 /nfs/dbraw/zinc/28/82/97/583288297.db2.gz GZDXCHWGIGXOME-SSDOTTSWSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 860901654 583288360 /nfs/dbraw/zinc/28/83/60/583288360.db2.gz RZGBCRNRWLDPIL-YIZRAAEISA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[C@H](C)OC(=O)C12CC(C1)C2 860896916 583288350 /nfs/dbraw/zinc/28/83/50/583288350.db2.gz HYGPRMSRAFFOKY-SILCLGDVSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccsn1 860897287 583288353 /nfs/dbraw/zinc/28/83/53/583288353.db2.gz VVIZWVXYNAWFPX-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C=C(\C)COC 860900013 583288364 /nfs/dbraw/zinc/28/83/64/583288364.db2.gz WAJNCDWYSAVUMW-TTZKWOQHSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ocnc1C 860900574 583288367 /nfs/dbraw/zinc/28/83/67/583288367.db2.gz DVOMBCWUDTXYLB-ZETCQYMHSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@H](C)OC(=O)CC1(C#N)CC1 860896221 583288374 /nfs/dbraw/zinc/28/83/74/583288374.db2.gz JREJRHQYUXDNKC-VIFPVBQESA-N 0 0 193.246 2.188 10 30 AEEERN C=CC[C@H](C)OC(=O)C1(OC)CCC1 860900797 583288387 /nfs/dbraw/zinc/28/83/87/583288387.db2.gz HVFYBAZOAUYKCZ-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)C[C@H]1CCCO1 860899780 583288400 /nfs/dbraw/zinc/28/84/00/583288400.db2.gz QBERFBVSYSRDAW-VHSXEESVSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)Cc1ccco1 860901260 583288409 /nfs/dbraw/zinc/28/84/09/583288409.db2.gz OJZNKXVWVRQGBD-VIFPVBQESA-N 0 0 194.230 2.330 10 30 AEEERN C=CC[C@@H](C)OC(=O)C1(C#N)CCC1 860902330 583288412 /nfs/dbraw/zinc/28/84/12/583288412.db2.gz AWCOVCVCFNKIGH-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN C=CC[C@H](C)OC(=O)/C=C(\C)COC 860900011 583288444 /nfs/dbraw/zinc/28/84/44/583288444.db2.gz WAJNCDWYSAVUMW-PCYYEKQGSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ocnc1C 860900573 583288452 /nfs/dbraw/zinc/28/84/52/583288452.db2.gz DVOMBCWUDTXYLB-SSDOTTSWSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@H](C)OC(=O)CCCF 860899612 583288454 /nfs/dbraw/zinc/28/84/54/583288454.db2.gz MLICHOUJLBJTCX-QMMMGPOBSA-N 0 0 174.215 2.244 10 30 AEEERN C=CC[C@@H](C)OC(=O)CCCF 860899611 583288480 /nfs/dbraw/zinc/28/84/80/583288480.db2.gz MLICHOUJLBJTCX-MRVPVSSYSA-N 0 0 174.215 2.244 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 860901653 583288488 /nfs/dbraw/zinc/28/84/88/583288488.db2.gz RZGBCRNRWLDPIL-IWSPIJDZSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[C@@H](C)OC(=O)CC(C)(C)C#N 860899536 583288502 /nfs/dbraw/zinc/28/85/02/583288502.db2.gz ZKSLTKDJSNTNMS-SECBINFHSA-N 0 0 195.262 2.434 10 30 AEEERN C=CC[C@H](C)OC(=O)CCCC(C)=O 860900434 583288505 /nfs/dbraw/zinc/28/85/05/583288505.db2.gz DXDLSXQEHQHJFZ-JTQLQIEISA-N 0 0 198.262 2.254 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H]1CC[C@H](C)O1 860896780 583288536 /nfs/dbraw/zinc/28/85/36/583288536.db2.gz QUSIIBKLYCFABF-UTLUCORTSA-N 0 0 198.262 2.062 10 30 AEEERN C=CC[C@H](C)OC(=O)c1conc1C 860896815 583288541 /nfs/dbraw/zinc/28/85/41/583288541.db2.gz GZDXCHWGIGXOME-ZETCQYMHSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H]1C[C@@H]1C 860901651 583288562 /nfs/dbraw/zinc/28/85/62/583288562.db2.gz RZGBCRNRWLDPIL-CIUDSAMLSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccsn1 860897288 583288585 /nfs/dbraw/zinc/28/85/85/583288585.db2.gz VVIZWVXYNAWFPX-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C#CCCCC(=O)O[C@@H](C)CC=C 860898457 583288595 /nfs/dbraw/zinc/28/85/95/583288595.db2.gz JSQPOZZTSGRDKC-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN C=CC[C@@H](C)OC(=O)Cc1ccoc1 860901170 583288600 /nfs/dbraw/zinc/28/86/00/583288600.db2.gz NRBXTSIMFJQEDK-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H]1CCCCO1 860900541 583288617 /nfs/dbraw/zinc/28/86/17/583288617.db2.gz DAODXLZGAQNODX-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@](C)(C#N)CC 860898608 583288629 /nfs/dbraw/zinc/28/86/29/583288629.db2.gz MEBCIISRBGDXQC-GXSJLCMTSA-N 0 0 195.262 2.434 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1CC1(F)F 860897329 583288636 /nfs/dbraw/zinc/28/86/36/583288636.db2.gz WSRQLHOLEZGSLH-BQBZGAKWSA-N 0 0 190.189 2.149 10 30 AEEERN C=CC[C@@H](C)OC(=O)C12CC(C1)C2 860896915 583288706 /nfs/dbraw/zinc/28/87/06/583288706.db2.gz HYGPRMSRAFFOKY-FKTRJACZSA-N 0 0 180.247 2.294 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1nccs1 860897993 583288711 /nfs/dbraw/zinc/28/87/11/583288711.db2.gz AGVCTXOIWOCIAX-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H](C)CC#N 860898316 583288726 /nfs/dbraw/zinc/28/87/26/583288726.db2.gz AOEGPVOHRBLJGR-RKDXNWHRSA-N 0 0 181.235 2.044 10 30 AEEERN C=CC[C@@H](C)OC(=O)Cc1ccco1 860901259 583288731 /nfs/dbraw/zinc/28/87/31/583288731.db2.gz OJZNKXVWVRQGBD-SECBINFHSA-N 0 0 194.230 2.330 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H]1CC1(F)F 860897331 583288742 /nfs/dbraw/zinc/28/87/42/583288742.db2.gz WSRQLHOLEZGSLH-RNFRBKRXSA-N 0 0 190.189 2.149 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1CCCCO1 860900539 583288772 /nfs/dbraw/zinc/28/87/72/583288772.db2.gz DAODXLZGAQNODX-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@@H](C)OC(=O)C[C@H]1CCCO1 860899779 583288782 /nfs/dbraw/zinc/28/87/82/583288782.db2.gz QBERFBVSYSRDAW-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H](C)CC#N 860898313 583288798 /nfs/dbraw/zinc/28/87/98/583288798.db2.gz AOEGPVOHRBLJGR-BDAKNGLRSA-N 0 0 181.235 2.044 10 30 AEEERN C=CC[C@H](C)OC(=O)CC(C)(C)C#N 860899537 583288807 /nfs/dbraw/zinc/28/88/07/583288807.db2.gz ZKSLTKDJSNTNMS-VIFPVBQESA-N 0 0 195.262 2.434 10 30 AEEERN C=CC[C@@H](C)OC(=O)CC1(C#N)CC1 860896220 583288808 /nfs/dbraw/zinc/28/88/08/583288808.db2.gz JREJRHQYUXDNKC-SECBINFHSA-N 0 0 193.246 2.188 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@H](C)CC#N 860898314 583288823 /nfs/dbraw/zinc/28/88/23/583288823.db2.gz AOEGPVOHRBLJGR-DTWKUNHWSA-N 0 0 181.235 2.044 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@H]1CCCCO1 860900538 583288843 /nfs/dbraw/zinc/28/88/43/583288843.db2.gz DAODXLZGAQNODX-NXEZZACHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1C[C@H]1C 860901652 583288857 /nfs/dbraw/zinc/28/88/57/583288857.db2.gz RZGBCRNRWLDPIL-HRDYMLBCSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[C@@H](C)OC(=O)C1=COCCC1 860903598 583288930 /nfs/dbraw/zinc/28/89/30/583288930.db2.gz CKLADRNUQRRQQK-SECBINFHSA-N 0 0 196.246 2.189 10 30 AEEERN C=CC[C@@H](C)OC(=O)C[C@@H]1CCCO1 860905527 583288946 /nfs/dbraw/zinc/28/89/46/583288946.db2.gz QBERFBVSYSRDAW-ZJUUUORDSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C(C)=C/C 860904106 583288979 /nfs/dbraw/zinc/28/89/79/583288979.db2.gz NLDKIVSNNKBLCC-BNICOGTQSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccccn1 860905063 583289035 /nfs/dbraw/zinc/28/90/35/583289035.db2.gz ZBJGKLJSHMDMDU-SECBINFHSA-N 0 0 191.230 2.203 10 30 AEEERN C=CC[C@@H](C)OC(=O)C1CC=CC1 860904221 583289041 /nfs/dbraw/zinc/28/90/41/583289041.db2.gz POEMGTVIVUZZCQ-SECBINFHSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@H](C)OC(=O)C1CCC1 860908253 583289061 /nfs/dbraw/zinc/28/90/61/583289061.db2.gz ULRBOFZSLXJYTM-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=CC[C@@H](C)OC(=O)C1(C)CC1 860903547 583289090 /nfs/dbraw/zinc/28/90/90/583289090.db2.gz BIPPVXOPDRRBTG-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@]1(C)CCCO1 860904003 583289112 /nfs/dbraw/zinc/28/91/12/583289112.db2.gz KQWUGUANDFHCJF-KOLCDFICSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ncoc1C 860903184 583289122 /nfs/dbraw/zinc/28/91/22/583289122.db2.gz UOFMBGDJZRCKAC-SSDOTTSWSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cccn1C 860908054 583289147 /nfs/dbraw/zinc/28/91/47/583289147.db2.gz RCUBXJNXDWUZIJ-SECBINFHSA-N 0 0 193.246 2.147 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@]1(C)CCCO1 860904002 583289173 /nfs/dbraw/zinc/28/91/73/583289173.db2.gz KQWUGUANDFHCJF-GXSJLCMTSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccn(C)c1 860903825 583289190 /nfs/dbraw/zinc/28/91/90/583289190.db2.gz HPERGOPVGJMWHR-SECBINFHSA-N 0 0 193.246 2.147 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccco1 860907653 583289193 /nfs/dbraw/zinc/28/91/93/583289193.db2.gz KJGKLSKPEVDYBN-QMMMGPOBSA-N 0 0 180.203 2.401 10 30 AEEERN C=CCCOCC(=O)O[C@@H](C)CC=C 860906471 583289222 /nfs/dbraw/zinc/28/92/22/583289222.db2.gz APXJSJAEAGIHNF-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@@H](C)OC(=O)C1CCC1 860908252 583289226 /nfs/dbraw/zinc/28/92/26/583289226.db2.gz ULRBOFZSLXJYTM-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cc(C)no1 860906258 583289269 /nfs/dbraw/zinc/28/92/69/583289269.db2.gz JXIHJVRTPBOZTP-QMMMGPOBSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@H](C)OC(=O)C1(C)CC1 860903548 583289237 /nfs/dbraw/zinc/28/92/37/583289237.db2.gz BIPPVXOPDRRBTG-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=CC[C@H](C)OC(=O)C[C@@H]1CCCO1 860905526 583289247 /nfs/dbraw/zinc/28/92/47/583289247.db2.gz QBERFBVSYSRDAW-UWVGGRQHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 860907011 583289253 /nfs/dbraw/zinc/28/92/53/583289253.db2.gz RZGBCRNRWLDPIL-XHNCKOQMSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccoc1 860907339 583289273 /nfs/dbraw/zinc/28/92/73/583289273.db2.gz WRKZKBVVWHRLOZ-MRVPVSSYSA-N 0 0 180.203 2.401 10 30 AEEERN C=CC[C@@H](C)OC(=O)[C@@]1(C)CCCO1 860904004 583289275 /nfs/dbraw/zinc/28/92/75/583289275.db2.gz KQWUGUANDFHCJF-MWLCHTKSSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)C1CC=CC1 860904222 583289279 /nfs/dbraw/zinc/28/92/79/583289279.db2.gz POEMGTVIVUZZCQ-VIFPVBQESA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C=C\C1CC1 860904568 583289284 /nfs/dbraw/zinc/28/92/84/583289284.db2.gz VEMSCKVITIZRMZ-UFGYOYAJSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cc(C)no1 860906257 583289286 /nfs/dbraw/zinc/28/92/86/583289286.db2.gz JXIHJVRTPBOZTP-MRVPVSSYSA-N 0 0 195.218 2.104 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ncoc1C 860903185 583289289 /nfs/dbraw/zinc/28/92/89/583289289.db2.gz UOFMBGDJZRCKAC-ZETCQYMHSA-N 0 0 195.218 2.104 10 30 AEEERN C=CCCC(=O)O[C@@H](C)CC=C 860903284 583289293 /nfs/dbraw/zinc/28/92/93/583289293.db2.gz WJBSLKKBSYZQAS-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@H]1C[C@H]1C 860907010 583289307 /nfs/dbraw/zinc/28/93/07/583289307.db2.gz RZGBCRNRWLDPIL-VGMNWLOBSA-N 0 0 168.236 2.150 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C=C/C1CC1 860904565 583289344 /nfs/dbraw/zinc/28/93/44/583289344.db2.gz VEMSCKVITIZRMZ-FCZSHJHJSA-N 0 0 180.247 2.460 10 30 AEEERN C=CCCC(=O)O[C@H](C)CC=C 860903283 583289348 /nfs/dbraw/zinc/28/93/48/583289348.db2.gz WJBSLKKBSYZQAS-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1ccco1 860907652 583289366 /nfs/dbraw/zinc/28/93/66/583289366.db2.gz KJGKLSKPEVDYBN-MRVPVSSYSA-N 0 0 180.203 2.401 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cscn1 860903046 583289370 /nfs/dbraw/zinc/28/93/70/583289370.db2.gz QYYMBRHEDFZICT-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@H](C)OC(=O)/C=C/C1CC1 860904566 583289378 /nfs/dbraw/zinc/28/93/78/583289378.db2.gz VEMSCKVITIZRMZ-FLOXNTQESA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@H](C)OC(=O)/C(C)=C\C 860904109 583289387 /nfs/dbraw/zinc/28/93/87/583289387.db2.gz NLDKIVSNNKBLCC-XZLDQRQTSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@H](C)OC(=O)C(C)C 860906055 583289390 /nfs/dbraw/zinc/28/93/90/583289390.db2.gz IDMJFTQNZRKPMI-QMMMGPOBSA-N 0 0 156.225 2.150 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccoc1 860907340 583289398 /nfs/dbraw/zinc/28/93/98/583289398.db2.gz WRKZKBVVWHRLOZ-QMMMGPOBSA-N 0 0 180.203 2.401 10 30 AEEERN C=CC[C@H](C)OC(=O)/C(C)=C/C 860904108 583289443 /nfs/dbraw/zinc/28/94/43/583289443.db2.gz NLDKIVSNNKBLCC-ORZBULNSSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccccn1 860905067 583289456 /nfs/dbraw/zinc/28/94/56/583289456.db2.gz ZBJGKLJSHMDMDU-VIFPVBQESA-N 0 0 191.230 2.203 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cccn1C 860908056 583289472 /nfs/dbraw/zinc/28/94/72/583289472.db2.gz RCUBXJNXDWUZIJ-VIFPVBQESA-N 0 0 193.246 2.147 10 30 AEEERN C=CC[C@H](C)OC(=O)[C@]1(C)CCCO1 860904005 583289481 /nfs/dbraw/zinc/28/94/81/583289481.db2.gz KQWUGUANDFHCJF-ONGXEEELSA-N 0 0 198.262 2.063 10 30 AEEERN C=CC[C@H](C)OC(=O)c1ccn(C)c1 860903826 583289514 /nfs/dbraw/zinc/28/95/14/583289514.db2.gz HPERGOPVGJMWHR-VIFPVBQESA-N 0 0 193.246 2.147 10 30 AEEERN C=CC[C@@H](C)OC(=O)C(C)C 860906054 583289543 /nfs/dbraw/zinc/28/95/43/583289543.db2.gz IDMJFTQNZRKPMI-MRVPVSSYSA-N 0 0 156.225 2.150 10 30 AEEERN C=CCCOCC(=O)O[C@H](C)CC=C 860906472 583289560 /nfs/dbraw/zinc/28/95/60/583289560.db2.gz APXJSJAEAGIHNF-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cscn1 860903045 583289564 /nfs/dbraw/zinc/28/95/64/583289564.db2.gz QYYMBRHEDFZICT-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C=CC[C@H](C)OC(=O)C1=COCCC1 860903599 583289606 /nfs/dbraw/zinc/28/96/06/583289606.db2.gz CKLADRNUQRRQQK-VIFPVBQESA-N 0 0 196.246 2.189 10 30 AEEERN C=CC[C@@H](C)OC(=O)/C(C)=C\C 860904107 583289632 /nfs/dbraw/zinc/28/96/32/583289632.db2.gz NLDKIVSNNKBLCC-JGAIRUGNSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@H](C)OC(=O)/C=C\C1CC1 860904567 583289647 /nfs/dbraw/zinc/28/96/47/583289647.db2.gz VEMSCKVITIZRMZ-FUOZMLNRSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CCCC#N 860926808 583289688 /nfs/dbraw/zinc/28/96/88/583289688.db2.gz BGQUFDWPODHNHC-SNVBAGLBSA-N 0 0 193.246 2.354 10 30 AEEERN C#CCCCC(=O)O[C@H](C=C)CC=C 860928661 583289704 /nfs/dbraw/zinc/28/97/04/583289704.db2.gz JRIAOJFKVOAUTD-LLVKDONJSA-N 0 0 192.258 2.464 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@H]1C[C@@H]1C 860926246 583289726 /nfs/dbraw/zinc/28/97/26/583289726.db2.gz WBUBXBUMTKALIO-AEJSXWLSSA-N 0 0 180.247 2.316 10 30 AEEERN C=CC[C@H](C)OC(=O)c1c[nH]cc1C 860908663 583289740 /nfs/dbraw/zinc/28/97/40/583289740.db2.gz ORUPKNMNIYEDRA-VIFPVBQESA-N 0 0 193.246 2.445 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@@H]1C[C@H]1C 860926247 583289755 /nfs/dbraw/zinc/28/97/55/583289755.db2.gz WBUBXBUMTKALIO-OPRDCNLKSA-N 0 0 180.247 2.316 10 30 AEEERN C#CCCCC(=O)O[C@@H](C=C)CC=C 860928662 583289766 /nfs/dbraw/zinc/28/97/66/583289766.db2.gz JRIAOJFKVOAUTD-NSHDSACASA-N 0 0 192.258 2.464 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@@H](C)OCC 860927464 583289772 /nfs/dbraw/zinc/28/97/72/583289772.db2.gz RZLSUFIBYPAZMB-ZJUUUORDSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1c[nH]cc1C 860908662 583289781 /nfs/dbraw/zinc/28/97/81/583289781.db2.gz ORUPKNMNIYEDRA-SECBINFHSA-N 0 0 193.246 2.445 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CCOCC 860928193 583289809 /nfs/dbraw/zinc/28/98/09/583289809.db2.gz WRKWSEBAHUVXFA-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@@H](C)CC#N 860928920 583289822 /nfs/dbraw/zinc/28/98/22/583289822.db2.gz BVYZORHHQUGFGO-UWVGGRQHSA-N 0 0 193.246 2.210 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C1CCC1 860923208 583289851 /nfs/dbraw/zinc/28/98/51/583289851.db2.gz QKBLAZHUZKNKAN-JTQLQIEISA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)COCCC 860925688 583289873 /nfs/dbraw/zinc/28/98/73/583289873.db2.gz CNHPEPQSKULLDK-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@@H](C)OC(=O)C(C)(C)C#N 860908987 583289907 /nfs/dbraw/zinc/28/99/07/583289907.db2.gz XGZAOWNVOCNIJY-MRVPVSSYSA-N 0 0 181.235 2.044 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C(C)(C)OC 860927359 583289942 /nfs/dbraw/zinc/28/99/42/583289942.db2.gz OVOLQXQNHDILBV-SECBINFHSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@@H]1C[C@@H]1C 860924497 583289998 /nfs/dbraw/zinc/28/99/98/583289998.db2.gz WBUBXBUMTKALIO-LPEHRKFASA-N 0 0 180.247 2.316 10 30 AEEERN C=CC[C@H](C=C)OC(=O)COC(C)C 860927771 583290007 /nfs/dbraw/zinc/29/00/07/583290007.db2.gz VMGWLLKXRZIMFR-JTQLQIEISA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CCCOC 860926379 583290011 /nfs/dbraw/zinc/29/00/11/583290011.db2.gz IUGLTXJOZGJZLZ-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CCC(C)=O 860928744 583290013 /nfs/dbraw/zinc/29/00/13/583290013.db2.gz KDGXNJWXKONULI-JTQLQIEISA-N 0 0 196.246 2.030 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@@H]1C[C@H]1C 860924496 583290037 /nfs/dbraw/zinc/29/00/37/583290037.db2.gz WBUBXBUMTKALIO-KXUCPTDWSA-N 0 0 180.247 2.316 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)COC(C)C 860927773 583290051 /nfs/dbraw/zinc/29/00/51/583290051.db2.gz VMGWLLKXRZIMFR-SNVBAGLBSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C)OC(=O)C(C)(C)C#N 860908988 583290060 /nfs/dbraw/zinc/29/00/60/583290060.db2.gz XGZAOWNVOCNIJY-QMMMGPOBSA-N 0 0 181.235 2.044 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@@H](CC)OC 860926881 583290063 /nfs/dbraw/zinc/29/00/63/583290063.db2.gz LTUFCYYYQIGLGB-VHSXEESVSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@H](CC)OC 860926880 583290093 /nfs/dbraw/zinc/29/00/93/583290093.db2.gz LTUFCYYYQIGLGB-UWVGGRQHSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@H](C)CC#N 860928922 583290097 /nfs/dbraw/zinc/29/00/97/583290097.db2.gz BVYZORHHQUGFGO-ZJUUUORDSA-N 0 0 193.246 2.210 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@H](C)OCC 860927462 583290100 /nfs/dbraw/zinc/29/01/00/583290100.db2.gz RZLSUFIBYPAZMB-UWVGGRQHSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OC(=O)COCCC 860925686 583290113 /nfs/dbraw/zinc/29/01/13/583290113.db2.gz CNHPEPQSKULLDK-JTQLQIEISA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CCC(C)=O 860928745 583290117 /nfs/dbraw/zinc/29/01/17/583290117.db2.gz KDGXNJWXKONULI-SNVBAGLBSA-N 0 0 196.246 2.030 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C1(C)CC1 860927297 583290142 /nfs/dbraw/zinc/29/01/42/583290142.db2.gz NEJPAJZUAUUUET-SECBINFHSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CCCC#N 860926807 583290171 /nfs/dbraw/zinc/29/01/71/583290171.db2.gz BGQUFDWPODHNHC-JTQLQIEISA-N 0 0 193.246 2.354 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C1(C)CC1 860927298 583290204 /nfs/dbraw/zinc/29/02/04/583290204.db2.gz NEJPAJZUAUUUET-VIFPVBQESA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CC1CC1 860924415 583290214 /nfs/dbraw/zinc/29/02/14/583290214.db2.gz UHIVCTGCYANRLR-SNVBAGLBSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CCC 860923712 583290231 /nfs/dbraw/zinc/29/02/31/583290231.db2.gz BMEKODIDJRELGM-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CCOCC 860928194 583290235 /nfs/dbraw/zinc/29/02/35/583290235.db2.gz WRKWSEBAHUVXFA-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@@H](C)OCC 860927461 583290240 /nfs/dbraw/zinc/29/02/40/583290240.db2.gz RZLSUFIBYPAZMB-NXEZZACHSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CCC 860923711 583290262 /nfs/dbraw/zinc/29/02/62/583290262.db2.gz BMEKODIDJRELGM-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CCCOC 860926381 583290291 /nfs/dbraw/zinc/29/02/91/583290291.db2.gz IUGLTXJOZGJZLZ-SNVBAGLBSA-N 0 0 198.262 2.087 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@H]1C[C@@H]1C 860924495 583290352 /nfs/dbraw/zinc/29/03/52/583290352.db2.gz WBUBXBUMTKALIO-GUBZILKMSA-N 0 0 180.247 2.316 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C1CC1 860922938 583290379 /nfs/dbraw/zinc/29/03/79/583290379.db2.gz JPFWWNNDHDRVNX-VIFPVBQESA-N 0 0 166.220 2.070 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@@H](CC)OC 860926879 583290383 /nfs/dbraw/zinc/29/03/83/583290383.db2.gz LTUFCYYYQIGLGB-NXEZZACHSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@H](C)OCC 860927463 583290395 /nfs/dbraw/zinc/29/03/95/583290395.db2.gz RZLSUFIBYPAZMB-VHSXEESVSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C1CCC1 860923209 583290412 /nfs/dbraw/zinc/29/04/12/583290412.db2.gz QKBLAZHUZKNKAN-SNVBAGLBSA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CC1CC1 860924414 583290418 /nfs/dbraw/zinc/29/04/18/583290418.db2.gz UHIVCTGCYANRLR-JTQLQIEISA-N 0 0 180.247 2.460 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C(C)C 860923949 583290420 /nfs/dbraw/zinc/29/04/20/583290420.db2.gz INJXVIPSGGKIOC-VIFPVBQESA-N 0 0 168.236 2.316 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@H](C)CC#N 860928919 583290448 /nfs/dbraw/zinc/29/04/48/583290448.db2.gz BVYZORHHQUGFGO-NXEZZACHSA-N 0 0 193.246 2.210 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C1CC1 860922937 583290451 /nfs/dbraw/zinc/29/04/51/583290451.db2.gz JPFWWNNDHDRVNX-SECBINFHSA-N 0 0 166.220 2.070 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C(C)C 860923948 583290455 /nfs/dbraw/zinc/29/04/55/583290455.db2.gz INJXVIPSGGKIOC-SECBINFHSA-N 0 0 168.236 2.316 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@@H](C)CC#N 860928921 583290460 /nfs/dbraw/zinc/29/04/60/583290460.db2.gz BVYZORHHQUGFGO-VHSXEESVSA-N 0 0 193.246 2.210 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@H](CC)OC 860926882 583290463 /nfs/dbraw/zinc/29/04/63/583290463.db2.gz LTUFCYYYQIGLGB-ZJUUUORDSA-N 0 0 198.262 2.085 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@H]1C[C@H]1C 860924498 583290466 /nfs/dbraw/zinc/29/04/66/583290466.db2.gz WBUBXBUMTKALIO-UTLUCORTSA-N 0 0 180.247 2.316 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C(C)(C)OC 860927360 583290471 /nfs/dbraw/zinc/29/04/71/583290471.db2.gz OVOLQXQNHDILBV-VIFPVBQESA-N 0 0 198.262 2.085 10 30 AEEERN C#C[C@H](OC(C)=O)c1ccc(C)cc1 860965046 583290803 /nfs/dbraw/zinc/29/08/03/583290803.db2.gz BZMQVGVWAMNSDL-LBPRGKRZSA-N 0 0 188.226 2.232 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@H]1CC12CC2 860930173 583290852 /nfs/dbraw/zinc/29/08/52/583290852.db2.gz QISMQNJGQXGJGM-VHSXEESVSA-N 0 0 192.258 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C12CC(C1)C2 860931199 583290914 /nfs/dbraw/zinc/29/09/14/583290914.db2.gz UBGCALZECOXPJN-SQLBVSGCSA-N 0 0 192.258 2.460 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C1(F)CC1 860929524 583290946 /nfs/dbraw/zinc/29/09/46/583290946.db2.gz JKILXROHRJSMJU-QMMMGPOBSA-N 0 0 184.210 2.162 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@H]1CC12CC2 860930171 583291008 /nfs/dbraw/zinc/29/10/08/583291008.db2.gz QISMQNJGQXGJGM-NXEZZACHSA-N 0 0 192.258 2.460 10 30 AEEERN C=CC[C@H](C=C)OC(=O)CCCF 860929475 583291031 /nfs/dbraw/zinc/29/10/31/583291031.db2.gz IFOPPMNQZYOOAI-VIFPVBQESA-N 0 0 186.226 2.410 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)[C@@H]1CC12CC2 860930174 583291095 /nfs/dbraw/zinc/29/10/95/583291095.db2.gz QISMQNJGQXGJGM-ZJUUUORDSA-N 0 0 192.258 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)C1(F)CC1 860929523 583291132 /nfs/dbraw/zinc/29/11/32/583291132.db2.gz JKILXROHRJSMJU-MRVPVSSYSA-N 0 0 184.210 2.162 10 30 AEEERN C#C[C@@H](OC(C)=O)c1ccc(C)cc1 860965045 583291266 /nfs/dbraw/zinc/29/12/66/583291266.db2.gz BZMQVGVWAMNSDL-GFCCVEGCSA-N 0 0 188.226 2.232 10 30 AEEERN C=CC[C@H](C=C)OC(=O)C12CC(C1)C2 860931200 583291283 /nfs/dbraw/zinc/29/12/83/583291283.db2.gz UBGCALZECOXPJN-YZRBJQDESA-N 0 0 192.258 2.460 10 30 AEEERN C=CC[C@@H](C=C)OC(=O)CCCF 860929474 583291290 /nfs/dbraw/zinc/29/12/90/583291290.db2.gz IFOPPMNQZYOOAI-SECBINFHSA-N 0 0 186.226 2.410 10 30 AEEERN C=CC[C@H](C=C)OC(=O)[C@@H]1CC12CC2 860930172 583291317 /nfs/dbraw/zinc/29/13/17/583291317.db2.gz QISMQNJGQXGJGM-UWVGGRQHSA-N 0 0 192.258 2.460 10 30 AEEERN C=CCCC(=O)OCC(C)(F)F 861224885 583293023 /nfs/dbraw/zinc/29/30/23/583293023.db2.gz HFNCWJNOLWJRAR-UHFFFAOYSA-N 0 0 178.178 2.151 10 30 AEEERN C=CC(C)(C)CCNC(=O)C1(F)CC1 862394351 583299127 /nfs/dbraw/zinc/29/91/27/583299127.db2.gz HJHUDHKTGDESND-UHFFFAOYSA-N 0 0 199.269 2.207 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)/C(C)=C\C)C1 862544076 583300013 /nfs/dbraw/zinc/30/00/13/583300013.db2.gz OAXMSZFRHZNXOX-GULOHRGCSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)/C(C)=C/C)C1 862544083 583300031 /nfs/dbraw/zinc/30/00/31/583300031.db2.gz OAXMSZFRHZNXOX-IGLBNKAOSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@H]1CCN(C(=O)/C(C)=C/C)C1 862544084 583300227 /nfs/dbraw/zinc/30/02/27/583300227.db2.gz OAXMSZFRHZNXOX-UAWPZABVSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@H]1CCN(C(=O)/C(C)=C\C)C1 862544085 583300338 /nfs/dbraw/zinc/30/03/38/583300338.db2.gz OAXMSZFRHZNXOX-VQNWOSHQSA-N 0 0 193.290 2.377 10 30 AEEERN C#CC[C@@H]1CCN(C(=O)CCCC)C1 862562334 583300494 /nfs/dbraw/zinc/30/04/94/583300494.db2.gz HRUKKTBMUZKTFB-LLVKDONJSA-N 0 0 193.290 2.048 10 30 AEEERN C#CC[C@H]1CCN(C(=O)CCCC)C1 862562335 583300551 /nfs/dbraw/zinc/30/05/51/583300551.db2.gz HRUKKTBMUZKTFB-NSHDSACASA-N 0 0 193.290 2.048 10 30 AEEERN CCON=CC1CCC(OC)CC1 863077426 583302764 /nfs/dbraw/zinc/30/27/64/583302764.db2.gz QEHGIEPNPZOROF-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN COCCCC1(C=NOC)CCC1 863079523 583302811 /nfs/dbraw/zinc/30/28/11/583302811.db2.gz PTHGRMBLBBGKSV-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CON=C[C@@H]1CCc2ccccc2C1 863079617 583302826 /nfs/dbraw/zinc/30/28/26/583302826.db2.gz UDLPJBOKRURTJO-SNVBAGLBSA-N 0 0 189.258 2.424 10 30 AEEERN c1ccc(N=NC[C@H]2CC23CC3)nc1 863067580 583302846 /nfs/dbraw/zinc/30/28/46/583302846.db2.gz DACXWUSSMIHVPZ-SECBINFHSA-N 0 0 187.246 2.279 10 30 AEEERN CON=C(C)C1CC(F)(F)C1 863079581 583302884 /nfs/dbraw/zinc/30/28/84/583302884.db2.gz RYWDFVKHEQRNGH-UHFFFAOYSA-N 0 0 163.167 2.054 10 30 AEEERN CC(C)CCCC=NN1CCOCC1 863066035 583302896 /nfs/dbraw/zinc/30/28/96/583302896.db2.gz RZUNETJUPOHWTM-UHFFFAOYSA-N 0 0 198.310 2.131 10 30 AEEERN CON=CC(C)(C)C(C)(F)F 863079262 583302988 /nfs/dbraw/zinc/30/29/88/583302988.db2.gz IYDSQINSDYYAAM-UHFFFAOYSA-N 0 0 165.183 2.300 10 30 AEEERN CON=C[C@H]1CCc2ccccc2C1 863079616 583303027 /nfs/dbraw/zinc/30/30/27/583303027.db2.gz UDLPJBOKRURTJO-JTQLQIEISA-N 0 0 189.258 2.424 10 30 AEEERN CON=CCCCC(C)C 863079639 583303045 /nfs/dbraw/zinc/30/30/45/583303045.db2.gz UXAAGDHDSZTJOA-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN CCON=C(C)C1CC(F)(F)C1 863077248 583303058 /nfs/dbraw/zinc/30/30/58/583303058.db2.gz NDQMZFZFCZYSSO-UHFFFAOYSA-N 0 0 177.194 2.444 10 30 AEEERN C#CCCCC(C)=NOCC 863077403 583303134 /nfs/dbraw/zinc/30/31/34/583303134.db2.gz PNBPHVRKAPHHBV-UHFFFAOYSA-N 0 0 153.225 2.202 10 30 AEEERN CCON=C1CCCc2scnc21 863076695 583303179 /nfs/dbraw/zinc/30/31/79/583303179.db2.gz DWEDRSRMOGASGO-UHFFFAOYSA-N 0 0 196.275 2.220 10 30 AEEERN c1ccc(N=NC[C@@H]2CC23CC3)nc1 863067581 583303192 /nfs/dbraw/zinc/30/31/92/583303192.db2.gz DACXWUSSMIHVPZ-VIFPVBQESA-N 0 0 187.246 2.279 10 30 AEEERN CCCCNN=C(C)[C@@H]1CCCCO1 863080082 583303500 /nfs/dbraw/zinc/30/35/00/583303500.db2.gz MSDNNRAPLOEJJV-NSHDSACASA-N 0 0 198.310 2.321 10 30 AEEERN FC(F)(F)CON=C[C@H]1CC12CC2 863103338 583303506 /nfs/dbraw/zinc/30/35/06/583303506.db2.gz VTPMAKOCZSKYOD-ZCFIWIBFSA-N 0 0 193.168 2.351 10 30 AEEERN C(=NOC1CCC1)[C@@H]1CC12CC2 863114782 583303523 /nfs/dbraw/zinc/30/35/23/583303523.db2.gz UHEBIDUODMPPFC-QMMMGPOBSA-N 0 0 165.236 2.341 10 30 AEEERN C#CCCCC(C)=NNCC(F)F 863096183 583303528 /nfs/dbraw/zinc/30/35/28/583303528.db2.gz YNHBIBZBKHNEQV-UHFFFAOYSA-N 0 0 188.221 2.021 10 30 AEEERN CC[C@@H](C)NN=Cc1ccnc(C)c1 863107437 583303536 /nfs/dbraw/zinc/30/35/36/583303536.db2.gz PUYVOYKPHHKKEE-SECBINFHSA-N 0 0 191.278 2.112 10 30 AEEERN CCCCNN=Cc1ccnc(C)c1 863080206 583303549 /nfs/dbraw/zinc/30/35/49/583303549.db2.gz RPIDVDZNVCNACE-UHFFFAOYSA-N 0 0 191.278 2.114 10 30 AEEERN CCCCNN=C(C)c1ccns1 863080267 583303556 /nfs/dbraw/zinc/30/35/56/583303556.db2.gz UREXPANSMVBBGU-UHFFFAOYSA-N 0 0 197.307 2.257 10 30 AEEERN C#CCCCC(C)=NNCCC 863080224 583303570 /nfs/dbraw/zinc/30/35/70/583303570.db2.gz SAIIXWMUMOMISQ-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN C(=NNC1CCCC1)[C@@H]1CC12CC2 863089292 583303586 /nfs/dbraw/zinc/30/35/86/583303586.db2.gz ONGGNQNKHARCRZ-VIFPVBQESA-N 0 0 178.279 2.305 10 30 AEEERN C(=NNC1CCCC1)[C@H]1CC12CC2 863089291 583303655 /nfs/dbraw/zinc/30/36/55/583303655.db2.gz ONGGNQNKHARCRZ-SECBINFHSA-N 0 0 178.279 2.305 10 30 AEEERN CCCNN=C(C)C1CC(F)(F)C1 863080270 583303660 /nfs/dbraw/zinc/30/36/60/583303660.db2.gz VAQRNWZSRHXYCH-UHFFFAOYSA-N 0 0 190.237 2.407 10 30 AEEERN CCCCNN=C(C)[C@H]1CCCCO1 863080081 583303666 /nfs/dbraw/zinc/30/36/66/583303666.db2.gz MSDNNRAPLOEJJV-LLVKDONJSA-N 0 0 198.310 2.321 10 30 AEEERN FC(F)(F)CON=C[C@@H]1CC12CC2 863103337 583303685 /nfs/dbraw/zinc/30/36/85/583303685.db2.gz VTPMAKOCZSKYOD-LURJTMIESA-N 0 0 193.168 2.351 10 30 AEEERN CCCCNN=C1CCC(C)(O)CC1 863080257 583303689 /nfs/dbraw/zinc/30/36/89/583303689.db2.gz UGCQJBIBLIRBQL-UHFFFAOYSA-N 0 0 198.310 2.057 10 30 AEEERN Cc1c(C=NOC(C)C)ccnc1F 863116697 583303910 /nfs/dbraw/zinc/30/39/10/583303910.db2.gz XGCVXFDYBHJMGK-UHFFFAOYSA-N 0 0 196.225 2.288 10 30 AEEERN C(=NOCC1CC1)[C@H]1CC12CC2 863115810 583303914 /nfs/dbraw/zinc/30/39/14/583303914.db2.gz ZHWMYTXFMGHGSD-SECBINFHSA-N 0 0 165.236 2.199 10 30 AEEERN CC(=NOCC1CC1)[C@H]1CCCCO1 863115659 583303919 /nfs/dbraw/zinc/30/39/19/583303919.db2.gz ULNFOHZCYKWCCB-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN C=CCON=C(C)[C@@H]1CCCCO1 863117994 583303923 /nfs/dbraw/zinc/30/39/23/583303923.db2.gz JPMQJPPPDQGGRO-JTQLQIEISA-N 0 0 183.251 2.134 10 30 AEEERN C=CCON=C(C)c1ccns1 863118151 583303933 /nfs/dbraw/zinc/30/39/33/583303933.db2.gz PAWWFFUBOAYCNG-UHFFFAOYSA-N 0 0 182.248 2.070 10 30 AEEERN CC(=NOCC1CC1)[C@@H]1CCCCO1 863115660 583303936 /nfs/dbraw/zinc/30/39/36/583303936.db2.gz ULNFOHZCYKWCCB-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C#CCCCC(C)=NOCC=C 863117993 583303948 /nfs/dbraw/zinc/30/39/48/583303948.db2.gz JMZKIZGOSSPFMV-UHFFFAOYSA-N 0 0 165.236 2.368 10 30 AEEERN CC(C)ON=C1CCC(C)(O)CC1 863116109 583304014 /nfs/dbraw/zinc/30/40/14/583304014.db2.gz IZDAZDANOOKDRQ-UHFFFAOYSA-N 0 0 185.267 2.092 10 30 AEEERN CC(C)ON=C1CC[N@H+](C)C(C)(C)C1 863116586 583304036 /nfs/dbraw/zinc/30/40/36/583304036.db2.gz UKBYNKKGLWMMQJ-UHFFFAOYSA-N 0 0 198.310 2.272 10 30 AEEERN C=CCON=C(C)[C@H]1CCCCO1 863117995 583304044 /nfs/dbraw/zinc/30/40/44/583304044.db2.gz JPMQJPPPDQGGRO-SNVBAGLBSA-N 0 0 183.251 2.134 10 30 AEEERN Cc1cc(C=NOC(C)C)ccn1 863116791 583304104 /nfs/dbraw/zinc/30/41/04/583304104.db2.gz ZPRFOYODZVYFQJ-UHFFFAOYSA-N 0 0 178.235 2.149 10 30 AEEERN CC(=NOC(C)C)[C@H]1CCCCO1 863116556 583304108 /nfs/dbraw/zinc/30/41/08/583304108.db2.gz SMJZYTQJMYVQEY-SNVBAGLBSA-N 0 0 185.267 2.356 10 30 AEEERN C(=NOCC1CC1)[C@@H]1CC12CC2 863115811 583304165 /nfs/dbraw/zinc/30/41/65/583304165.db2.gz ZHWMYTXFMGHGSD-VIFPVBQESA-N 0 0 165.236 2.199 10 30 AEEERN CC(C)ON=C[C@@H]1CC12CC2 863115895 583304284 /nfs/dbraw/zinc/30/42/84/583304284.db2.gz BYHLDIDLRALBER-QMMMGPOBSA-N 0 0 153.225 2.197 10 30 AEEERN CC(=NOC(C)C)[C@@H]1CCCCO1 863116555 583304289 /nfs/dbraw/zinc/30/42/89/583304289.db2.gz SMJZYTQJMYVQEY-JTQLQIEISA-N 0 0 185.267 2.356 10 30 AEEERN CC(C)ON=C[C@H]1CC12CC2 863115894 583304298 /nfs/dbraw/zinc/30/42/98/583304298.db2.gz BYHLDIDLRALBER-MRVPVSSYSA-N 0 0 153.225 2.197 10 30 AEEERN CC(=NOC(C)C)c1ccns1 863116740 583304302 /nfs/dbraw/zinc/30/43/02/583304302.db2.gz YJXFDCKMTHRJFY-UHFFFAOYSA-N 0 0 184.264 2.292 10 30 AEEERN C#CCCCC(C)=NNC12CC(C1)C2 863123667 583304428 /nfs/dbraw/zinc/30/44/28/583304428.db2.gz VMQFRPYSBSXPRW-UHFFFAOYSA-N 0 0 190.290 2.308 10 30 AEEERN C=C[C@@H](C)ON=C[C@@H]1CC12CC2 863123587 583304443 /nfs/dbraw/zinc/30/44/43/583304443.db2.gz JKARGDNLGLVTSG-BDAKNGLRSA-N 0 0 165.236 2.363 10 30 AEEERN C=C(C)CON=C[C@H]1CC12CC2 863123804 583304470 /nfs/dbraw/zinc/30/44/70/583304470.db2.gz LUVNQMLIDMWLHD-SECBINFHSA-N 0 0 165.236 2.365 10 30 AEEERN CCCON=C[C@H]1CC12CC2 863123135 583304478 /nfs/dbraw/zinc/30/44/78/583304478.db2.gz CMXLQVMIPOFXCD-MRVPVSSYSA-N 0 0 153.225 2.199 10 30 AEEERN C=C(C)CON=Cc1ccnc(C)c1 863124265 583304491 /nfs/dbraw/zinc/30/44/91/583304491.db2.gz SLONJBVKZYXFHP-UHFFFAOYSA-N 0 0 190.246 2.317 10 30 AEEERN C=C[C@@H](C)ON=Cc1ccnc(C)c1 863124360 583304602 /nfs/dbraw/zinc/30/46/02/583304602.db2.gz UUXLKNLUZLYRQO-SNVBAGLBSA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@H](C)ON=Cc1ccnc(C)c1 863124359 583304630 /nfs/dbraw/zinc/30/46/30/583304630.db2.gz UUXLKNLUZLYRQO-JTQLQIEISA-N 0 0 190.246 2.315 10 30 AEEERN C=C[C@H](C)ON=C[C@@H]1CC12CC2 863123589 583304663 /nfs/dbraw/zinc/30/46/63/583304663.db2.gz JKARGDNLGLVTSG-IUCAKERBSA-N 0 0 165.236 2.363 10 30 AEEERN C=C[C@H](C)ON=C[C@H]1CC12CC2 863123588 583304678 /nfs/dbraw/zinc/30/46/78/583304678.db2.gz JKARGDNLGLVTSG-DTWKUNHWSA-N 0 0 165.236 2.363 10 30 AEEERN C=C[C@H](C)ON=C(C)c1ccns1 863124602 583304726 /nfs/dbraw/zinc/30/47/26/583304726.db2.gz YEFPNNLMCLDQRQ-ZETCQYMHSA-N 0 0 196.275 2.458 10 30 AEEERN CCCON=C(C)[C@H]1CCCCO1 863123951 583304731 /nfs/dbraw/zinc/30/47/31/583304731.db2.gz NFEVVIUWXAYVGX-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN CCCON=Cc1ccnc(F)c1C 863123771 583304733 /nfs/dbraw/zinc/30/47/33/583304733.db2.gz LAIAYQDVOSKJNG-UHFFFAOYSA-N 0 0 196.225 2.290 10 30 AEEERN C=C(C)CON=C1CCC(C)(O)CC1 863123185 583304766 /nfs/dbraw/zinc/30/47/66/583304766.db2.gz DGKIFFZDHNVZMU-UHFFFAOYSA-N 0 0 197.278 2.260 10 30 AEEERN CCCON=C1CC[N@H+](C)C(C)(C)C1 863122923 583304774 /nfs/dbraw/zinc/30/47/74/583304774.db2.gz AGXBZZQUXSRDCE-UHFFFAOYSA-N 0 0 198.310 2.273 10 30 AEEERN C=C[C@H](C)ON=C1CCC(C)(O)CC1 863122967 583304796 /nfs/dbraw/zinc/30/47/96/583304796.db2.gz AVLVZSAGDNFAPK-FTNKSUMCSA-N 0 0 197.278 2.259 10 30 AEEERN C=C(C)CON=C(C)c1ccns1 863123931 583304820 /nfs/dbraw/zinc/30/48/20/583304820.db2.gz NAGOJJFGESVINZ-UHFFFAOYSA-N 0 0 196.275 2.460 10 30 AEEERN CCCON=Cc1ccnc(C)c1 863124126 583304821 /nfs/dbraw/zinc/30/48/21/583304821.db2.gz RAXOSCSUUQNLLT-UHFFFAOYSA-N 0 0 178.235 2.151 10 30 AEEERN C=C[C@@H](C)ON=C(C)c1ccns1 863124601 583304832 /nfs/dbraw/zinc/30/48/32/583304832.db2.gz YEFPNNLMCLDQRQ-SSDOTTSWSA-N 0 0 196.275 2.458 10 30 AEEERN C=C[C@@H](C)ON=C1CCC(C)(O)CC1 863122965 583304863 /nfs/dbraw/zinc/30/48/63/583304863.db2.gz AVLVZSAGDNFAPK-BFHBGLAWSA-N 0 0 197.278 2.259 10 30 AEEERN C=C(C)CON=C[C@@H]1CC12CC2 863123805 583304886 /nfs/dbraw/zinc/30/48/86/583304886.db2.gz LUVNQMLIDMWLHD-VIFPVBQESA-N 0 0 165.236 2.365 10 30 AEEERN CCCON=C1CCC(C)(O)CC1 863123749 583304905 /nfs/dbraw/zinc/30/49/05/583304905.db2.gz KQDYBOPQMKLGBB-UHFFFAOYSA-N 0 0 185.267 2.094 10 30 AEEERN CCCON=C(C)[C@@H]1CCCCO1 863123950 583304944 /nfs/dbraw/zinc/30/49/44/583304944.db2.gz NFEVVIUWXAYVGX-JTQLQIEISA-N 0 0 185.267 2.358 10 30 AEEERN C=C[C@@H](C)ON=C[C@H]1CC12CC2 863123590 583304953 /nfs/dbraw/zinc/30/49/53/583304953.db2.gz JKARGDNLGLVTSG-RKDXNWHRSA-N 0 0 165.236 2.363 10 30 AEEERN CCCON=C[C@@H]1CC12CC2 863123136 583304967 /nfs/dbraw/zinc/30/49/67/583304967.db2.gz CMXLQVMIPOFXCD-QMMMGPOBSA-N 0 0 153.225 2.199 10 30 AEEERN CCCON=C(C)c1ccns1 863122926 583304980 /nfs/dbraw/zinc/30/49/80/583304980.db2.gz AIBMQJLLHNHHDS-UHFFFAOYSA-N 0 0 184.264 2.294 10 30 AEEERN CC(C)CCCC=NN1CCOC1=O 863161902 583305180 /nfs/dbraw/zinc/30/51/80/583305180.db2.gz ZFWCIVPWELOWLV-UHFFFAOYSA-N 0 0 198.266 2.251 10 30 AEEERN CC(CCCCC#N)=Nn1cccn1 863163417 583305211 /nfs/dbraw/zinc/30/52/11/583305211.db2.gz BPVAAPZKBVYAPH-UHFFFAOYSA-N 0 0 190.250 2.191 10 30 AEEERN C[C@@]1(C=Nn2cccn2)CCCS1 863163644 583305263 /nfs/dbraw/zinc/30/52/63/583305263.db2.gz LDHGOKPBWJIQAC-VIFPVBQESA-N 0 0 195.291 2.003 10 30 AEEERN CCC(CC)N=Nc1ccncc1C 863157945 583305414 /nfs/dbraw/zinc/30/54/14/583305414.db2.gz WFMKNLUAXHDZTL-UHFFFAOYSA-N 0 0 191.278 2.400 10 30 AEEERN C[C@H]1CCC(=Nn2cccn2)CS1 863163470 583305418 /nfs/dbraw/zinc/30/54/18/583305418.db2.gz FAOJZEHCHLDQPL-QMMMGPOBSA-N 0 0 195.291 2.003 10 30 AEEERN CC(CC(C)(C)C#N)=Nn1cccn1 863162675 583305443 /nfs/dbraw/zinc/30/54/43/583305443.db2.gz UYDVBCUIRAMOJX-UHFFFAOYSA-N 0 0 190.250 2.047 10 30 AEEERN C1=C[C@@H]2CC[C@H]1CC2=Nn1cccn1 863163619 583305557 /nfs/dbraw/zinc/30/55/57/583305557.db2.gz KRKWPQZHPVAZJF-VHSXEESVSA-N 0 0 187.246 2.073 10 30 AEEERN Cc1cnccc1N=NC1CCCC1 863157690 583305589 /nfs/dbraw/zinc/30/55/89/583305589.db2.gz QMODEMQNLHEJQH-UHFFFAOYSA-N 0 0 189.262 2.154 10 30 AEEERN c1cnn(N=C2C[C@H]3CC[C@@H](C2)C3)c1 863162743 583305665 /nfs/dbraw/zinc/30/56/65/583305665.db2.gz XSPCOJFNKUYQSA-AOOOYVTPSA-N 0 0 189.262 2.297 10 30 AEEERN c1cnn(N=C2CCCSCC2)c1 863162522 583305725 /nfs/dbraw/zinc/30/57/25/583305725.db2.gz NQIJSIHNNCDFQJ-UHFFFAOYSA-N 0 0 195.291 2.004 10 30 AEEERN CC(=Nn1cccn1)C1CC(F)(F)C1 863162506 583305747 /nfs/dbraw/zinc/30/57/47/583305747.db2.gz MPLRGYSILQRKAS-UHFFFAOYSA-N 0 0 199.204 2.152 10 30 AEEERN CCC(C)N=Nc1ccncc1C 863157976 583305800 /nfs/dbraw/zinc/30/58/00/583305800.db2.gz XTYXLLZRLXNTEM-UHFFFAOYSA-N 0 0 177.251 2.010 10 30 AEEERN CC(CC(F)(F)F)=Nn1cccn1 863163776 583305815 /nfs/dbraw/zinc/30/58/15/583305815.db2.gz OVZMDFVWPVQCDG-UHFFFAOYSA-N 0 0 191.156 2.060 10 30 AEEERN C[C@]1(C=Nn2cccn2)CCCS1 863163643 583305860 /nfs/dbraw/zinc/30/58/60/583305860.db2.gz LDHGOKPBWJIQAC-SECBINFHSA-N 0 0 195.291 2.003 10 30 AEEERN C=CC[C@@H]1CCC(=Nn2cccn2)C1 863163482 583305882 /nfs/dbraw/zinc/30/58/82/583305882.db2.gz FSYQINADPYAMJT-SNVBAGLBSA-N 0 0 189.262 2.463 10 30 AEEERN C[C@@H]1CCC(=Nn2cccn2)CS1 863163469 583305888 /nfs/dbraw/zinc/30/58/88/583305888.db2.gz FAOJZEHCHLDQPL-MRVPVSSYSA-N 0 0 195.291 2.003 10 30 AEEERN C=CC[C@H]1CCC(=Nn2cccn2)C1 863163481 583305894 /nfs/dbraw/zinc/30/58/94/583305894.db2.gz FSYQINADPYAMJT-JTQLQIEISA-N 0 0 189.262 2.463 10 30 AEEERN CC(=Nn1cccn1)[C@H]1CC1(C)C 863163949 583306063 /nfs/dbraw/zinc/30/60/63/583306063.db2.gz UWMBWCACBGELIB-SECBINFHSA-N 0 0 177.251 2.153 10 30 AEEERN C[C@@H]1CCCC(=Nn2cccn2)C1 863166375 583306090 /nfs/dbraw/zinc/30/60/90/583306090.db2.gz ZGWJNZKGTWFQCX-SECBINFHSA-N 0 0 177.251 2.297 10 30 AEEERN CC(=Nn1cccn1)[C@@H]1CC1(C)C 863163950 583306132 /nfs/dbraw/zinc/30/61/32/583306132.db2.gz UWMBWCACBGELIB-VIFPVBQESA-N 0 0 177.251 2.153 10 30 AEEERN c1cnn(N=C2CCC23CCC3)c1 863164059 583306166 /nfs/dbraw/zinc/30/61/66/583306166.db2.gz YUQRSXRVRWHTQT-UHFFFAOYSA-N 0 0 175.235 2.051 10 30 AEEERN c1cnn(N=C2CC[C@@H]2C2CCC2)c1 863163825 583306279 /nfs/dbraw/zinc/30/62/79/583306279.db2.gz QBGYQWYUBLYIEK-SNVBAGLBSA-N 0 0 189.262 2.297 10 30 AEEERN c1cnn(N=C2CCC23CCCC3)c1 863164588 583306323 /nfs/dbraw/zinc/30/63/23/583306323.db2.gz PAGBQCYJQZGPQZ-UHFFFAOYSA-N 0 0 189.262 2.441 10 30 AEEERN CC1CCC(=Nn2cccn2)CC1 863165922 583306332 /nfs/dbraw/zinc/30/63/32/583306332.db2.gz PRFVMMLONCHDGZ-UHFFFAOYSA-N 0 0 177.251 2.297 10 30 AEEERN C1=CC[C@H](C=Nn2cccn2)CC1 863165649 583306350 /nfs/dbraw/zinc/30/63/50/583306350.db2.gz JOTJWCLPSDAHHT-JTQLQIEISA-N 0 0 175.235 2.073 10 30 AEEERN C[C@H]1CCCC(=Nn2cccn2)C1 863166376 583306410 /nfs/dbraw/zinc/30/64/10/583306410.db2.gz ZGWJNZKGTWFQCX-VIFPVBQESA-N 0 0 177.251 2.297 10 30 AEEERN FC1(F)CCC(=Nn2cccn2)CC1 863163909 583306466 /nfs/dbraw/zinc/30/64/66/583306466.db2.gz SUJUXSOLPZOBFO-UHFFFAOYSA-N 0 0 199.204 2.297 10 30 AEEERN C1=CC[C@@H](C=Nn2cccn2)CC1 863165650 583306479 /nfs/dbraw/zinc/30/64/79/583306479.db2.gz JOTJWCLPSDAHHT-SNVBAGLBSA-N 0 0 175.235 2.073 10 30 AEEERN C(=Nn1cccn1)C1CCCCC1 863166435 583306502 /nfs/dbraw/zinc/30/65/02/583306502.db2.gz ZZEWUIPHIIOBBW-UHFFFAOYSA-N 0 0 177.251 2.297 10 30 AEEERN CC(=Nn1cccn1)C1CCCC1 863165523 583306510 /nfs/dbraw/zinc/30/65/10/583306510.db2.gz DBISYKRUSXWZRW-UHFFFAOYSA-N 0 0 177.251 2.297 10 30 AEEERN CC(CC1CCC1)=Nn1cccn1 863164138 583306615 /nfs/dbraw/zinc/30/66/15/583306615.db2.gz BUIYEIJANPWUFF-UHFFFAOYSA-N 0 0 177.251 2.297 10 30 AEEERN C=CCCC(CC)=Nn1cccn1 863165700 583306640 /nfs/dbraw/zinc/30/66/40/583306640.db2.gz LNXTXGXAHDBUQZ-UHFFFAOYSA-N 0 0 177.251 2.463 10 30 AEEERN c1cnn(N=C2CC3(CCC3)C2)c1 863164792 583306643 /nfs/dbraw/zinc/30/66/43/583306643.db2.gz VIMJCYXPKCQENX-UHFFFAOYSA-N 0 0 175.235 2.051 10 30 AEEERN c1cnn(N=C2CCCCCC2)c1 863165702 583306722 /nfs/dbraw/zinc/30/67/22/583306722.db2.gz LPFUOOLBVPPRNG-UHFFFAOYSA-N 0 0 177.251 2.441 10 30 AEEERN CC1(C)CCC(=Nn2cccn2)C1 863164433 583306725 /nfs/dbraw/zinc/30/67/25/583306725.db2.gz JTVCATVZPDCWIK-UHFFFAOYSA-N 0 0 177.251 2.297 10 30 AEEERN CCCC(CC)=Nn1cccn1 863164760 583306847 /nfs/dbraw/zinc/30/68/47/583306847.db2.gz UUMFHWCGTUSGCT-UHFFFAOYSA-N 0 0 165.240 2.297 10 30 AEEERN CCC(C=Nn1cccn1)CC 863165498 583306890 /nfs/dbraw/zinc/30/68/90/583306890.db2.gz BWIWUFBGURPIQT-UHFFFAOYSA-N 0 0 165.240 2.153 10 30 AEEERN c1cnn(N=C2CC[C@H]2C2CCC2)c1 863163824 583306937 /nfs/dbraw/zinc/30/69/37/583306937.db2.gz QBGYQWYUBLYIEK-JTQLQIEISA-N 0 0 189.262 2.297 10 30 AEEERN c1cnn(N=C2CCC3(CC2)CC3)c1 863164187 583306941 /nfs/dbraw/zinc/30/69/41/583306941.db2.gz DMPJQVZMGCDXEI-UHFFFAOYSA-N 0 0 189.262 2.441 10 30 AEEERN Cc1cnc(CSCCC#N)o1 863346338 583308152 /nfs/dbraw/zinc/30/81/52/583308152.db2.gz GEQFTZPYRXMQRD-UHFFFAOYSA-N 0 0 182.248 2.130 10 30 AEEERN N#CCCSCc1ccnc(F)c1 863347232 583308301 /nfs/dbraw/zinc/30/83/01/583308301.db2.gz UERFXLDXIDHSKF-UHFFFAOYSA-N 0 0 196.250 2.368 10 30 AEEERN C[C@H](C#N)OCCSC[C@H]1C[C@H]1C 863396948 583309554 /nfs/dbraw/zinc/30/95/54/583309554.db2.gz FRYPMFDTPMWJRU-OPRDCNLKSA-N 0 0 199.319 2.304 10 30 AEEERN C[C@@H]1C[C@H]1CON=C1CCCOCC1 863465898 583309587 /nfs/dbraw/zinc/30/95/87/583309587.db2.gz LYCLKCVQCQNOIY-ZJUUUORDSA-N 0 0 197.278 2.216 10 30 AEEERN CCO[C@H](CON=C1CCC1)C1CC1 863458399 583309646 /nfs/dbraw/zinc/30/96/46/583309646.db2.gz UDCHXWKPQSTCFE-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN C[C@H]1C[C@@H]1CON=C1CCCOCC1 863465897 583309743 /nfs/dbraw/zinc/30/97/43/583309743.db2.gz LYCLKCVQCQNOIY-VHSXEESVSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@@H]1C[C@H]1CON=C1CCC1 863457669 583309782 /nfs/dbraw/zinc/30/97/82/583309782.db2.gz HWNIWNOIHRRRBM-SFYZADRCSA-N 0 0 153.225 2.199 10 30 AEEERN C[C@H](C#N)OCCSC[C@@H]1C[C@H]1C 863396946 583309785 /nfs/dbraw/zinc/30/97/85/583309785.db2.gz FRYPMFDTPMWJRU-BBBLOLIVSA-N 0 0 199.319 2.304 10 30 AEEERN C[C@@H]1C[C@@H]1CON=C1CCC1 863457470 583309797 /nfs/dbraw/zinc/30/97/97/583309797.db2.gz HWNIWNOIHRRRBM-HTQZYQBOSA-N 0 0 153.225 2.199 10 30 AEEERN Fc1cc(CON=C2CCC2)ccn1 863457707 583309825 /nfs/dbraw/zinc/30/98/25/583309825.db2.gz JOWLDBCHMUGZQZ-UHFFFAOYSA-N 0 0 194.209 2.277 10 30 AEEERN C[C@H]1C[C@@H]1CON=C1CCC1 863457668 583309876 /nfs/dbraw/zinc/30/98/76/583309876.db2.gz HWNIWNOIHRRRBM-JGVFFNPUSA-N 0 0 153.225 2.199 10 30 AEEERN CCO[C@@H](CON=C1CCC1)C1CC1 863458400 583309919 /nfs/dbraw/zinc/30/99/19/583309919.db2.gz UDCHXWKPQSTCFE-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN C[C@H]1C[C@H]1CON=C1CCCOCC1 863465896 583309995 /nfs/dbraw/zinc/30/99/95/583309995.db2.gz LYCLKCVQCQNOIY-UWVGGRQHSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@H]1C[C@H]1CON=C1CCC1 863457670 583310134 /nfs/dbraw/zinc/31/01/34/583310134.db2.gz HWNIWNOIHRRRBM-YUMQZZPRSA-N 0 0 153.225 2.199 10 30 AEEERN C[C@H]1C[C@@H]1CSCCO[C@H](C)C#N 863396947 583310138 /nfs/dbraw/zinc/31/01/38/583310138.db2.gz FRYPMFDTPMWJRU-IVZWLZJFSA-N 0 0 199.319 2.304 10 30 AEEERN C[C@@H]1C[C@@H]1CON=C1CCCOCC1 863465895 583310168 /nfs/dbraw/zinc/31/01/68/583310168.db2.gz LYCLKCVQCQNOIY-NXEZZACHSA-N 0 0 197.278 2.216 10 30 AEEERN C[C@H]1C[C@H]1CSCCO[C@H](C)C#N 863396945 583310224 /nfs/dbraw/zinc/31/02/24/583310224.db2.gz FRYPMFDTPMWJRU-AEJSXWLSSA-N 0 0 199.319 2.304 10 30 AEEERN CC#CCSCc1ncc(C)o1 863401433 583310285 /nfs/dbraw/zinc/31/02/85/583310285.db2.gz SVIZXLXJMAULPO-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN CCO[C@@H](CON=CC1CC1)C1CC1 863476947 583310562 /nfs/dbraw/zinc/31/05/62/583310562.db2.gz RFUYGTQBCRQBEG-NSHDSACASA-N 0 0 197.278 2.214 10 30 AEEERN CCO[C@H](CON=CC1CC1)C1CC1 863476946 583310672 /nfs/dbraw/zinc/31/06/72/583310672.db2.gz RFUYGTQBCRQBEG-LLVKDONJSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1C[C@@H]1CON=CC1CC1 863476434 583310800 /nfs/dbraw/zinc/31/08/00/583310800.db2.gz DRRKATXSPXNHOY-VXNVDRBHSA-N 0 0 153.225 2.055 10 30 AEEERN C[C@H]1C[C@H]1CON=CC1CC1 863476432 583311056 /nfs/dbraw/zinc/31/10/56/583311056.db2.gz DRRKATXSPXNHOY-CBAPKCEASA-N 0 0 153.225 2.055 10 30 AEEERN C[C@H]1C[C@@H]1CON=CC1CC1 863476433 583311311 /nfs/dbraw/zinc/31/13/11/583311311.db2.gz DRRKATXSPXNHOY-IONNQARKSA-N 0 0 153.225 2.055 10 30 AEEERN C[C@@H]1C[C@H]1CON=CC1CC1 863476431 583311356 /nfs/dbraw/zinc/31/13/56/583311356.db2.gz DRRKATXSPXNHOY-APPZFPTMSA-N 0 0 153.225 2.055 10 30 AEEERN C=C(C)c1ccc2c(n1)CCCN2 863713181 583313105 /nfs/dbraw/zinc/31/31/05/583313105.db2.gz HEYUCOGIHOUQSG-UHFFFAOYSA-N 0 0 174.247 2.473 10 30 AEEERN C=C(C)c1ccc(OCCF)cn1 863976151 583314913 /nfs/dbraw/zinc/31/49/13/583314913.db2.gz YAFPCHGMZMPKFM-UHFFFAOYSA-N 0 0 181.210 2.463 10 30 AEEERN C=CCCN(C)C(=O)/C(F)=C/CC 867683966 583315644 /nfs/dbraw/zinc/31/56/44/583315644.db2.gz GNZPHEHTOLKZSU-CLFYSBASSA-N 0 0 185.242 2.284 10 30 AEEERN C=CCCN(C)C(=O)/C(F)=C\CC 867683967 583315978 /nfs/dbraw/zinc/31/59/78/583315978.db2.gz GNZPHEHTOLKZSU-VQHVLOKHSA-N 0 0 185.242 2.284 10 30 AEEERN C=CCNC(=O)NCCCCC1CC1 864420260 583316730 /nfs/dbraw/zinc/31/67/30/583316730.db2.gz MGQXXVXYAKBWHV-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=C(C)c1cnn(C)c1C(F)F 864540984 583320413 /nfs/dbraw/zinc/32/04/13/583320413.db2.gz XTNCJGJUSMPGET-UHFFFAOYSA-N 0 0 172.178 2.391 10 30 AEEERN CC/C=C(/F)C(=O)N(CC)CCC#N 864974254 583322605 /nfs/dbraw/zinc/32/26/05/583322605.db2.gz AEJFAGKNTYQOKP-RMKNXTFCSA-N 0 0 198.241 2.012 10 30 AEEERN CC/C=C(\F)C(=O)N(CC)CCC#N 864974255 583322804 /nfs/dbraw/zinc/32/28/04/583322804.db2.gz AEJFAGKNTYQOKP-TWGQIWQCSA-N 0 0 198.241 2.012 10 30 AEEERN CC/C=C(/F)C(=O)N[C@@H](C#N)CCC 865081702 583323441 /nfs/dbraw/zinc/32/34/41/583323441.db2.gz LCUFDRJFXKCPSB-GTUWVTDSSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(\F)C(=O)N[C@](C)(C#N)CC 865078747 583323604 /nfs/dbraw/zinc/32/36/04/583323604.db2.gz UBYNGJMIJQWFIN-ZEBCKKTISA-N 0 0 198.241 2.058 10 30 AEEERN C=C1CCN(C(=O)/C(F)=C\CC)CC1 865178339 583323614 /nfs/dbraw/zinc/32/36/14/583323614.db2.gz YLCQTEZWDRORNH-ONNFQVAWSA-N 0 0 197.253 2.428 10 30 AEEERN CC/C=C(\F)C(=O)N[C@@H](C#N)CCC 865081705 583323654 /nfs/dbraw/zinc/32/36/54/583323654.db2.gz LCUFDRJFXKCPSB-WSQKDGNHSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(\F)C(=O)NCCCCC#N 865167336 583323666 /nfs/dbraw/zinc/32/36/66/583323666.db2.gz NFKDCYQJRSDQNM-TWGQIWQCSA-N 0 0 198.241 2.060 10 30 AEEERN CC/C=C(\F)C(=O)N[C@H](C#N)CCC 865081704 583323678 /nfs/dbraw/zinc/32/36/78/583323678.db2.gz LCUFDRJFXKCPSB-HWPCKVLBSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(\F)C(=O)N[C@@](C)(C#N)CC 865078744 583323883 /nfs/dbraw/zinc/32/38/83/583323883.db2.gz UBYNGJMIJQWFIN-BJPMOSCESA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(/F)C(=O)N[C@](C)(C#N)CC 865078745 583323945 /nfs/dbraw/zinc/32/39/45/583323945.db2.gz UBYNGJMIJQWFIN-PCGIRMHASA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(/F)C(=O)N[C@@](C)(C#N)CC 865078746 583323984 /nfs/dbraw/zinc/32/39/84/583323984.db2.gz UBYNGJMIJQWFIN-QEHWCHDUSA-N 0 0 198.241 2.058 10 30 AEEERN CC/C=C(/F)C(=O)NCCCCC#N 865167335 583323993 /nfs/dbraw/zinc/32/39/93/583323993.db2.gz NFKDCYQJRSDQNM-RMKNXTFCSA-N 0 0 198.241 2.060 10 30 AEEERN C=C1CCN(C(=O)/C(F)=C/CC)CC1 865178341 583323994 /nfs/dbraw/zinc/32/39/94/583323994.db2.gz YLCQTEZWDRORNH-WMZJFQQLSA-N 0 0 197.253 2.428 10 30 AEEERN CC/C=C(/F)C(=O)N[C@H](C#N)CCC 865081700 583323998 /nfs/dbraw/zinc/32/39/98/583323998.db2.gz LCUFDRJFXKCPSB-CYXIBPNKSA-N 0 0 198.241 2.058 10 30 AEEERN N#C[C@@H](SC1=NCCS1)C1CC1 865341000 583324468 /nfs/dbraw/zinc/32/44/68/583324468.db2.gz FEKZULRQYRZXRA-SSDOTTSWSA-N 0 0 198.316 2.125 10 30 AEEERN C=CCOCSc1nccs1 865352132 583324653 /nfs/dbraw/zinc/32/46/53/583324653.db2.gz CUBLLKKDKWEENL-UHFFFAOYSA-N 0 0 187.289 2.395 10 30 AEEERN C#CCCCCCSc1c[nH]nn1 865359369 583324817 /nfs/dbraw/zinc/32/48/17/583324817.db2.gz IMEZSFZIVRNLKG-UHFFFAOYSA-N 0 0 195.291 2.090 10 30 AEEERN C#CCCCCCSC[C@@H](C)O 865370856 583324884 /nfs/dbraw/zinc/32/48/84/583324884.db2.gz QULOYMGKWAWZRZ-SNVBAGLBSA-N 0 0 186.320 2.294 10 30 AEEERN N#C[C@H](SC1=NCCS1)C1CC1 865341001 583324932 /nfs/dbraw/zinc/32/49/32/583324932.db2.gz FEKZULRQYRZXRA-ZETCQYMHSA-N 0 0 198.316 2.125 10 30 AEEERN C#CCCCCCn1cnc(Cl)n1 865368293 583325298 /nfs/dbraw/zinc/32/52/98/583325298.db2.gz QCEFMHYELLKUPQ-UHFFFAOYSA-N 0 0 197.669 2.125 10 30 AEEERN C=CCn1cnc(C(C)(C)C)c1 865374456 583325304 /nfs/dbraw/zinc/32/53/04/583325304.db2.gz FILAZVKUTXZWKJ-UHFFFAOYSA-N 0 0 164.252 2.367 10 30 AEEERN C=CCNc1cc(CC(C)C)ncn1 865401270 583325403 /nfs/dbraw/zinc/32/54/03/583325403.db2.gz MYAPTPOLKYZVFS-UHFFFAOYSA-N 0 0 191.278 2.273 10 30 AEEERN C#CCCCCCSC[C@H](C)O 865370854 583325412 /nfs/dbraw/zinc/32/54/12/583325412.db2.gz QULOYMGKWAWZRZ-JTQLQIEISA-N 0 0 186.320 2.294 10 30 AEEERN CCC[C@@H](O)CCCSCC#N 865380169 583325467 /nfs/dbraw/zinc/32/54/67/583325467.db2.gz IXEYGAPDAVXKLK-SECBINFHSA-N 0 0 187.308 2.184 10 30 AEEERN COCC(C)(C)CSCCC#N 865370443 583325548 /nfs/dbraw/zinc/32/55/48/583325548.db2.gz LNRXSUIFWMNFGS-UHFFFAOYSA-N 0 0 187.308 2.306 10 30 AEEERN CCC[C@H](O)CCCSCC#N 865380170 583325822 /nfs/dbraw/zinc/32/58/22/583325822.db2.gz IXEYGAPDAVXKLK-VIFPVBQESA-N 0 0 187.308 2.184 10 30 AEEERN C=CCCCN(C)c1ccc(F)nn1 865546717 583326609 /nfs/dbraw/zinc/32/66/09/583326609.db2.gz CZVJHJKEUJZQGS-UHFFFAOYSA-N 0 0 195.241 2.018 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1ccco1 205597181 583326933 /nfs/dbraw/zinc/32/69/33/583326933.db2.gz YQGMMRBUAMHLPF-QMMMGPOBSA-N 0 0 180.203 2.401 10 30 AEEERN C=C[C@@H](C)Nc1cccc(C(C)=O)n1 865606731 583326946 /nfs/dbraw/zinc/32/69/46/583326946.db2.gz ICIRBQWGTWHQAA-MRVPVSSYSA-N 0 0 190.246 2.271 10 30 AEEERN C=C[C@H](CC)OC(=O)c1ccco1 205597166 583327011 /nfs/dbraw/zinc/32/70/11/583327011.db2.gz YQGMMRBUAMHLPF-MRVPVSSYSA-N 0 0 180.203 2.401 10 30 AEEERN C=C[C@H](C)Nc1cccc(C(C)=O)n1 865606732 583327264 /nfs/dbraw/zinc/32/72/64/583327264.db2.gz ICIRBQWGTWHQAA-QMMMGPOBSA-N 0 0 190.246 2.271 10 30 AEEERN C#Cc1cccnc1NCC(C)(C)F 865986646 583329251 /nfs/dbraw/zinc/32/92/51/583329251.db2.gz HADLOCHCFQEQEG-UHFFFAOYSA-N 0 0 192.237 2.223 10 30 AEEERN C=CC[C@H](C)NC(=O)/C(F)=C\CC 865925452 583329278 /nfs/dbraw/zinc/32/92/78/583329278.db2.gz IRQWKMJVOUHHLM-INTFFVIUSA-N 0 0 185.242 2.331 10 30 AEEERN C=CC[C@@H](C)NC(=O)/C(F)=C/CC 865925454 583328818 /nfs/dbraw/zinc/32/88/18/583328818.db2.gz IRQWKMJVOUHHLM-XZZQCUQZSA-N 0 0 185.242 2.331 10 30 AEEERN C=C1CC(C)(C(=O)N2CCC2(C)C)C1 866004098 583328864 /nfs/dbraw/zinc/32/88/64/583328864.db2.gz UZMMFIFTLSNAOR-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=CCCNc1cccc(C(C)=O)n1 865936876 583328994 /nfs/dbraw/zinc/32/89/94/583328994.db2.gz RIWQGSQBKNFIHT-UHFFFAOYSA-N 0 0 190.246 2.272 10 30 AEEERN C=C(Cl)CNC(=O)/C(F)=C/CC 865961536 583329090 /nfs/dbraw/zinc/32/90/90/583329090.db2.gz HISDYLASZGLCPB-DAXSKMNVSA-N 0 0 191.633 2.119 10 30 AEEERN C=C(Cl)CNC(=O)C1(C)CC(=C)C1 865962174 583329152 /nfs/dbraw/zinc/32/91/52/583329152.db2.gz WMAIKTJAQRYBED-UHFFFAOYSA-N 0 0 199.681 2.211 10 30 AEEERN C=C(Cl)CNC(=O)/C(F)=C\CC 865961537 583329169 /nfs/dbraw/zinc/32/91/69/583329169.db2.gz HISDYLASZGLCPB-QPJJXVBHSA-N 0 0 191.633 2.119 10 30 AEEERN CC#CCN(C)c1nc(CC)cs1 865837217 583329217 /nfs/dbraw/zinc/32/92/17/583329217.db2.gz BESPFWLFQMPYFP-UHFFFAOYSA-N 0 0 194.303 2.165 10 30 AEEERN C=CC[C@H](C)NC(=O)/C(F)=C/CC 865925451 583329306 /nfs/dbraw/zinc/32/93/06/583329306.db2.gz IRQWKMJVOUHHLM-FZGDARCMSA-N 0 0 185.242 2.331 10 30 AEEERN C=CC[C@@H](C)NC(=O)/C(F)=C\CC 865925453 583329361 /nfs/dbraw/zinc/32/93/61/583329361.db2.gz IRQWKMJVOUHHLM-KGOFQHAKSA-N 0 0 185.242 2.331 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 866502768 583331554 /nfs/dbraw/zinc/33/15/54/583331554.db2.gz JYXWXQHJPDMLOJ-OPRDCNLKSA-N 0 0 195.306 2.359 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 866502766 583331558 /nfs/dbraw/zinc/33/15/58/583331558.db2.gz JYXWXQHJPDMLOJ-IVZWLZJFSA-N 0 0 195.306 2.359 10 30 AEEERN C=C[C@H](C)NC(=O)[C@]12CCCC[C@H]1C2 866503318 583331599 /nfs/dbraw/zinc/33/15/99/583331599.db2.gz QEWPLPQJVZBPNQ-NHCYSSNCSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@]12CCCC[C@@H]1C2 866503312 583331749 /nfs/dbraw/zinc/33/17/49/583331749.db2.gz QEWPLPQJVZBPNQ-HOSYDEDBSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C 867530973 583333528 /nfs/dbraw/zinc/33/35/28/583333528.db2.gz LEKPTYUOJHOIMD-NXEZZACHSA-N 0 0 195.306 2.313 10 30 AEEERN C=CCN(C)C(=O)[C@@]12CCCC[C@@H]1C2 867531056 583333689 /nfs/dbraw/zinc/33/36/89/583333689.db2.gz NAAHDCCZDIFFKD-ZYHUDNBSSA-N 0 0 193.290 2.211 10 30 AEEERN C=CCN(C)C(=O)[C@]12CCCC[C@H]1C2 867531054 583333767 /nfs/dbraw/zinc/33/37/67/583333767.db2.gz NAAHDCCZDIFFKD-JQWIXIFHSA-N 0 0 193.290 2.211 10 30 AEEERN C#C[C@H](CCC)NC(=O)/C(F)=C\CC 867761927 583334200 /nfs/dbraw/zinc/33/42/00/583334200.db2.gz VARHODYXJPIPOH-NCXKZPMSSA-N 0 0 197.253 2.168 10 30 AEEERN C#C[C@@H](CCC)NC(=O)/C(F)=C/CC 867761926 583334430 /nfs/dbraw/zinc/33/44/30/583334430.db2.gz VARHODYXJPIPOH-CUQRQBARSA-N 0 0 197.253 2.168 10 30 AEEERN C#C[C@@H](CCC)NC(=O)/C(F)=C\CC 867761929 583334688 /nfs/dbraw/zinc/33/46/88/583334688.db2.gz VARHODYXJPIPOH-WKMLFNHBSA-N 0 0 197.253 2.168 10 30 AEEERN C#C[C@H](CCC)NC(=O)/C(F)=C/CC 867761928 583334670 /nfs/dbraw/zinc/33/46/70/583334670.db2.gz VARHODYXJPIPOH-URLRMUCDSA-N 0 0 197.253 2.168 10 30 AEEERN C=CCCCNC(=O)/C(F)=C\CC 867937030 583335010 /nfs/dbraw/zinc/33/50/10/583335010.db2.gz QQJBOSQENZURHU-VQHVLOKHSA-N 0 0 185.242 2.332 10 30 AEEERN C=CCCCNC(=O)/C(F)=C/CC 867937029 583335480 /nfs/dbraw/zinc/33/54/80/583335480.db2.gz QQJBOSQENZURHU-CLFYSBASSA-N 0 0 185.242 2.332 10 30 AEEERN C#C[C@@H](NC(=O)/C(F)=C/CC)C(C)C 868021663 583336035 /nfs/dbraw/zinc/33/60/35/583336035.db2.gz IBSIRSVRAQZEFJ-UJICNMFASA-N 0 0 197.253 2.024 10 30 AEEERN C#C[C@H](NC(=O)/C(F)=C\CC)C(C)C 868021660 583336134 /nfs/dbraw/zinc/33/61/34/583336134.db2.gz IBSIRSVRAQZEFJ-PCYYEKQGSA-N 0 0 197.253 2.024 10 30 AEEERN CCCCOC(=O)CCCCC#N 207312946 583336171 /nfs/dbraw/zinc/33/61/71/583336171.db2.gz YYIOEZJOPRILEA-UHFFFAOYSA-N 0 0 183.251 2.414 10 30 AEEERN C#C[C@@H](NC(=O)/C(F)=C\CC)C(C)C 868021662 583336476 /nfs/dbraw/zinc/33/64/76/583336476.db2.gz IBSIRSVRAQZEFJ-TTZKWOQHSA-N 0 0 197.253 2.024 10 30 AEEERN C#C[C@H](NC(=O)/C(F)=C/CC)C(C)C 868021661 583336635 /nfs/dbraw/zinc/33/66/35/583336635.db2.gz IBSIRSVRAQZEFJ-RNKPRXRFSA-N 0 0 197.253 2.024 10 30 AEEERN C#C[C@](C)(CC)NC(=O)/C(F)=C/CC 868629498 583338079 /nfs/dbraw/zinc/33/80/79/583338079.db2.gz JMHKKGDTPWQCMB-TYBABMIJSA-N 0 0 197.253 2.168 10 30 AEEERN C=C(CC)CNC(=O)/C(F)=C\CC 868791820 583338261 /nfs/dbraw/zinc/33/82/61/583338261.db2.gz VQZYIUNDRNTHGF-RMKNXTFCSA-N 0 0 185.242 2.332 10 30 AEEERN C=C(CC)CNC(=O)/C(F)=C/CC 868791822 583338319 /nfs/dbraw/zinc/33/83/19/583338319.db2.gz VQZYIUNDRNTHGF-TWGQIWQCSA-N 0 0 185.242 2.332 10 30 AEEERN C#C[C@@](C)(CC)NC(=O)/C(F)=C/CC 868629497 583338409 /nfs/dbraw/zinc/33/84/09/583338409.db2.gz JMHKKGDTPWQCMB-IQQGHNRFSA-N 0 0 197.253 2.168 10 30 AEEERN C=C(C)CCNC(=O)/C(F)=C/CC 868700064 583338411 /nfs/dbraw/zinc/33/84/11/583338411.db2.gz KGWOPRHJWPUVHX-UITAMQMPSA-N 0 0 185.242 2.332 10 30 AEEERN C=C(C)CCNC(=O)/C(F)=C\CC 868700065 583338607 /nfs/dbraw/zinc/33/86/07/583338607.db2.gz KGWOPRHJWPUVHX-WEVVVXLNSA-N 0 0 185.242 2.332 10 30 AEEERN C#C[C@@](C)(CC)NC(=O)/C(F)=C\CC 868629496 583338650 /nfs/dbraw/zinc/33/86/50/583338650.db2.gz JMHKKGDTPWQCMB-FBOQAHMBSA-N 0 0 197.253 2.168 10 30 AEEERN C#C[C@](C)(CC)NC(=O)/C(F)=C\CC 868629495 583338678 /nfs/dbraw/zinc/33/86/78/583338678.db2.gz JMHKKGDTPWQCMB-ANYFNZRUSA-N 0 0 197.253 2.168 10 30 AEEERN C#CCCCn1cnc2ccccc21 122324870 583339953 /nfs/dbraw/zinc/33/99/53/583339953.db2.gz GYKBTKHPQWGQDO-UHFFFAOYSA-N 0 0 184.242 2.450 10 30 AEEERN CC/C=C(/F)C(=O)N(CC)[C@H](C)C#N 869285654 583340630 /nfs/dbraw/zinc/34/06/30/583340630.db2.gz SEEMQLBFOPELGN-GTUWVTDSSA-N 0 0 198.241 2.010 10 30 AEEERN CC/C=C(/F)C(=O)N(CC)[C@@H](C)C#N 869285653 583341031 /nfs/dbraw/zinc/34/10/31/583341031.db2.gz SEEMQLBFOPELGN-CYXIBPNKSA-N 0 0 198.241 2.010 10 30 AEEERN C=C1CC(C)(C(=O)N[C@H]2C=CCC2)C1 869244402 583341103 /nfs/dbraw/zinc/34/11/03/583341103.db2.gz XXIOCEBPGREZIE-JTQLQIEISA-N 0 0 191.274 2.178 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H]2C=CCC2)C1 869244409 583341216 /nfs/dbraw/zinc/34/12/16/583341216.db2.gz XXIOCEBPGREZIE-SNVBAGLBSA-N 0 0 191.274 2.178 10 30 AEEERN CC/C=C(\F)C(=O)N(CC)[C@H](C)C#N 869285656 583341248 /nfs/dbraw/zinc/34/12/48/583341248.db2.gz SEEMQLBFOPELGN-WSQKDGNHSA-N 0 0 198.241 2.010 10 30 AEEERN CC/C=C(\F)C(=O)N(CC)[C@@H](C)C#N 869285655 583341261 /nfs/dbraw/zinc/34/12/61/583341261.db2.gz SEEMQLBFOPELGN-HWPCKVLBSA-N 0 0 198.241 2.010 10 30 AEEERN Cc1cc(C)c(C(=O)OCC#N)s1 869577825 583341859 /nfs/dbraw/zinc/34/18/59/583341859.db2.gz FFONSLIQLQFVKI-UHFFFAOYSA-N 0 0 195.243 2.045 10 30 AEEERN C[C@H](CC#N)C(=O)OCCCC1CC1 869549701 583342126 /nfs/dbraw/zinc/34/21/26/583342126.db2.gz HFBXZAOQZCWUKP-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCCC(=O)OCC(=O)CCCC 869377836 583342341 /nfs/dbraw/zinc/34/23/41/583342341.db2.gz APYLUXPJMKIEPP-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C[C@@H](CC#N)C(=O)OCCCC1CC1 869549702 583342443 /nfs/dbraw/zinc/34/24/43/583342443.db2.gz HFBXZAOQZCWUKP-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCOC(=O)[C@@H]1C[C@H]1C(C)(C)C 869648763 583342763 /nfs/dbraw/zinc/34/27/63/583342763.db2.gz GYLYJFKZSIMNLK-NXEZZACHSA-N 0 0 194.274 2.235 10 30 AEEERN C#CCCCCC(=O)NCC(C)(C)F 869623599 583342815 /nfs/dbraw/zinc/34/28/15/583342815.db2.gz JQSPDTBQYOUSPM-UHFFFAOYSA-N 0 0 199.269 2.044 10 30 AEEERN CC(C)OC(=O)C1(C#N)CC2(CC2)C1 869616168 583342857 /nfs/dbraw/zinc/34/28/57/583342857.db2.gz UGHFODIBTGAOSU-UHFFFAOYSA-N 0 0 193.246 2.022 10 30 AEEERN CCCOC(=O)C1(C#N)CC2(CC2)C1 869616671 583342877 /nfs/dbraw/zinc/34/28/77/583342877.db2.gz NNHMHGJIRDDVNI-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1C(C)(C)C 869647555 583343061 /nfs/dbraw/zinc/34/30/61/583343061.db2.gz DYJOMARSPWECEA-DJLDLDEBSA-N 0 0 195.262 2.124 10 30 AEEERN C[C@H](C#N)OC(=O)[C@@H]1C[C@H]1C(C)(C)C 869647556 583343126 /nfs/dbraw/zinc/34/31/26/583343126.db2.gz DYJOMARSPWECEA-IWSPIJDZSA-N 0 0 195.262 2.124 10 30 AEEERN CC#CCOC(=O)[C@@H]1C[C@H]1C(C)(C)C 869648116 583343141 /nfs/dbraw/zinc/34/31/41/583343141.db2.gz PFVFONIIRNCEBQ-NXEZZACHSA-N 0 0 194.274 2.235 10 30 AEEERN C=CCCCC(=O)NCC(C)(C)F 869624547 583343233 /nfs/dbraw/zinc/34/32/33/583343233.db2.gz HJFLQECJHRHOMV-UHFFFAOYSA-N 0 0 187.258 2.207 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@H]1C(C)(C)C 869648139 583343155 /nfs/dbraw/zinc/34/31/55/583343155.db2.gz POPPPHQWPSTSQW-RKDXNWHRSA-N 0 0 182.263 2.398 10 30 AEEERN C#CCCOC(=O)[C@@]12CCCC[C@@H]1C2 869704913 583343702 /nfs/dbraw/zinc/34/37/02/583343702.db2.gz WNBCLYDYIRGHAA-ZYHUDNBSSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCOC(=O)[C@@]12CCCC[C@@H]1C2 869703516 583343748 /nfs/dbraw/zinc/34/37/48/583343748.db2.gz GPRUCIZYMZLZHC-MWLCHTKSSA-N 0 0 180.247 2.296 10 30 AEEERN C#CCCOC(=O)[C@]12CCCC[C@H]1C2 869704909 583343758 /nfs/dbraw/zinc/34/37/58/583343758.db2.gz WNBCLYDYIRGHAA-JQWIXIFHSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCOC(=O)C1(C(F)F)CCC1 869707208 583343811 /nfs/dbraw/zinc/34/38/11/583343811.db2.gz HDIVALKLCCGCHQ-UHFFFAOYSA-N 0 0 190.189 2.151 10 30 AEEERN CC#CCOC(=O)[C@@]12CCCC[C@@H]1C2 869703889 583343812 /nfs/dbraw/zinc/34/38/12/583343812.db2.gz KTQQBRSQCQTVQF-ZYHUDNBSSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCOC(=O)[C@]12CCCC[C@H]1C2 869703517 583343846 /nfs/dbraw/zinc/34/38/46/583343846.db2.gz GPRUCIZYMZLZHC-ONGXEEELSA-N 0 0 180.247 2.296 10 30 AEEERN CC#CCOC(=O)[C@]12CCCC[C@H]1C2 869703887 583343851 /nfs/dbraw/zinc/34/38/51/583343851.db2.gz KTQQBRSQCQTVQF-JQWIXIFHSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 869888509 583344225 /nfs/dbraw/zinc/34/42/25/583344225.db2.gz NYMBRBBTTQUMOB-AXTSPUMRSA-N 0 0 180.247 2.008 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 869889551 583344248 /nfs/dbraw/zinc/34/42/48/583344248.db2.gz VNTRRHSYMBFHIH-LMLFDSFASA-N 0 0 194.274 2.398 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 869885132 583344261 /nfs/dbraw/zinc/34/42/61/583344261.db2.gz BGCKVGLUJKWIEO-UKKRHICBSA-N 0 0 194.274 2.398 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 869889553 583344267 /nfs/dbraw/zinc/34/42/67/583344267.db2.gz VNTRRHSYMBFHIH-UKKRHICBSA-N 0 0 194.274 2.398 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 869888512 583344450 /nfs/dbraw/zinc/34/44/50/583344450.db2.gz NYMBRBBTTQUMOB-ZYUZMQFOSA-N 0 0 180.247 2.008 10 30 AEEERN CC[C@H](C)OC(=O)c1coc(C#N)c1 870007745 583344574 /nfs/dbraw/zinc/34/45/74/583344574.db2.gz CZHGLABUJZBEEY-ZETCQYMHSA-N 0 0 193.202 2.107 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 869889550 583344619 /nfs/dbraw/zinc/34/46/19/583344619.db2.gz VNTRRHSYMBFHIH-GWOFURMSSA-N 0 0 194.274 2.398 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 869885131 583344678 /nfs/dbraw/zinc/34/46/78/583344678.db2.gz BGCKVGLUJKWIEO-LNFKQOIKSA-N 0 0 194.274 2.398 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 869888510 583344799 /nfs/dbraw/zinc/34/47/99/583344799.db2.gz NYMBRBBTTQUMOB-SGIHWFKDSA-N 0 0 180.247 2.008 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 869885129 583344803 /nfs/dbraw/zinc/34/48/03/583344803.db2.gz BGCKVGLUJKWIEO-GWOFURMSSA-N 0 0 194.274 2.398 10 30 AEEERN C=CCCOC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 869885130 583344833 /nfs/dbraw/zinc/34/48/33/583344833.db2.gz BGCKVGLUJKWIEO-LMLFDSFASA-N 0 0 194.274 2.398 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 869888511 583344871 /nfs/dbraw/zinc/34/48/71/583344871.db2.gz NYMBRBBTTQUMOB-UTINFBMNSA-N 0 0 180.247 2.008 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 869889552 583344873 /nfs/dbraw/zinc/34/48/73/583344873.db2.gz VNTRRHSYMBFHIH-LNFKQOIKSA-N 0 0 194.274 2.398 10 30 AEEERN CC[C@@H](C)OC(=O)c1coc(C#N)c1 870007741 583344875 /nfs/dbraw/zinc/34/48/75/583344875.db2.gz CZHGLABUJZBEEY-SSDOTTSWSA-N 0 0 193.202 2.107 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H]1C[C@H]1C(C)(C)C 870212059 583345225 /nfs/dbraw/zinc/34/52/25/583345225.db2.gz KKNPCMMTROWMOE-OPRDCNLKSA-N 0 0 194.274 2.234 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@]12CCCC[C@@H]1C2 870212872 583345283 /nfs/dbraw/zinc/34/52/83/583345283.db2.gz SIIAVUGDKAYRKK-HOSYDEDBSA-N 0 0 192.258 2.132 10 30 AEEERN CCCCOC(=O)c1coc(C#N)c1 870008239 583345509 /nfs/dbraw/zinc/34/55/09/583345509.db2.gz LVGUVDQREOXGEG-UHFFFAOYSA-N 0 0 193.202 2.108 10 30 AEEERN C#C[C@H](C)OC(=O)[C@]12CCCC[C@H]1C2 870212874 583345523 /nfs/dbraw/zinc/34/55/23/583345523.db2.gz SIIAVUGDKAYRKK-NHCYSSNCSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@H]1C(C)(C)C 870212058 583345679 /nfs/dbraw/zinc/34/56/79/583345679.db2.gz KKNPCMMTROWMOE-IVZWLZJFSA-N 0 0 194.274 2.234 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 870300886 583346517 /nfs/dbraw/zinc/34/65/17/583346517.db2.gz DKPJBJZWINFIOJ-ZKKRXERASA-N 0 0 194.274 2.396 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 870300883 583346495 /nfs/dbraw/zinc/34/64/95/583346495.db2.gz DKPJBJZWINFIOJ-FBDQPXRJSA-N 0 0 194.274 2.396 10 30 AEEERN C=CCCC(C)(C)CNC(=O)C#CC 870283520 583346502 /nfs/dbraw/zinc/34/65/02/583346502.db2.gz LAHUJZSVQUXTFV-UHFFFAOYSA-N 0 0 193.290 2.118 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 870300884 583346578 /nfs/dbraw/zinc/34/65/78/583346578.db2.gz DKPJBJZWINFIOJ-LADJIXMOSA-N 0 0 194.274 2.396 10 30 AEEERN C=CCN(C(=O)N(CC)CC)C(C)C 123003482 583346599 /nfs/dbraw/zinc/34/65/99/583346599.db2.gz HOASTVAFIICDGF-UHFFFAOYSA-N 0 0 198.310 2.345 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 870300885 583346636 /nfs/dbraw/zinc/34/66/36/583346636.db2.gz DKPJBJZWINFIOJ-RCZSTQMZSA-N 0 0 194.274 2.396 10 30 AEEERN C[C@@H](CC#N)C(=O)O[C@H]1C=CCCC1 870635387 583346960 /nfs/dbraw/zinc/34/69/60/583346960.db2.gz NXVTUSAMXHQTPM-UWVGGRQHSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@H](CC#N)C(=O)O[C@H]1C=CCCC1 870635388 583347773 /nfs/dbraw/zinc/34/77/73/583347773.db2.gz NXVTUSAMXHQTPM-ZJUUUORDSA-N 0 0 193.246 2.188 10 30 AEEERN C=CC(C)(C)CCCNC(C)=O 871596984 583351870 /nfs/dbraw/zinc/35/18/70/583351870.db2.gz IMSZJLOTYDGBAF-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN Cc1conc1CSCCC#N 871675054 583353062 /nfs/dbraw/zinc/35/30/62/583353062.db2.gz BBTAHWIUFFXZAP-UHFFFAOYSA-N 0 0 182.248 2.130 10 30 AEEERN COCCSCc1ccc(C#N)o1 871655575 583353107 /nfs/dbraw/zinc/35/31/07/583353107.db2.gz RPRKEQXZOZKJAO-UHFFFAOYSA-N 0 0 197.259 2.031 10 30 AEEERN CC(C)(C)SCn1cc(C#N)cn1 871671716 583353211 /nfs/dbraw/zinc/35/32/11/583353211.db2.gz RDVFFTWURGGDPI-UHFFFAOYSA-N 0 0 195.291 2.244 10 30 AEEERN C=CC(C)(C)CCCNC(=O)NCC 871625501 583353269 /nfs/dbraw/zinc/35/32/69/583353269.db2.gz XFJZOUVUWYQHKI-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN CC(C)(C)SCn1ccnc1C#N 871664017 583353390 /nfs/dbraw/zinc/35/33/90/583353390.db2.gz OZUTUFBHDIENOF-UHFFFAOYSA-N 0 0 195.291 2.244 10 30 AEEERN C=CC(C)(C)CCCNC(=O)N(C)C 871744142 583353829 /nfs/dbraw/zinc/35/38/29/583353829.db2.gz PNAKYYRGVIKNFP-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN N#Cc1ccc(CON=C2CCC2)o1 871733925 583353707 /nfs/dbraw/zinc/35/37/07/583353707.db2.gz SOSIXIPFKZJLLW-UHFFFAOYSA-N 0 0 190.202 2.208 10 30 AEEERN CC#CCSCc1ccc(C#N)o1 871708180 583354113 /nfs/dbraw/zinc/35/41/13/583354113.db2.gz GMGWBBJWSGVZRE-UHFFFAOYSA-N 0 0 191.255 2.408 10 30 AEEERN CCSCc1ccc(C#N)o1 871696918 583354198 /nfs/dbraw/zinc/35/41/98/583354198.db2.gz RGGKTPCXWDDSOT-UHFFFAOYSA-N 0 0 167.233 2.404 10 30 AEEERN C=CCSCc1nocc1C 871698090 583354258 /nfs/dbraw/zinc/35/42/58/583354258.db2.gz IXIHRZVIGAVKAF-UHFFFAOYSA-N 0 0 169.249 2.402 10 30 AEEERN CC#CCSC[C@H]1C[C@@H](OC)C1 871711803 583354315 /nfs/dbraw/zinc/35/43/15/583354315.db2.gz BCIMPYSTWWVZMF-AOOOYVTPSA-N 0 0 184.304 2.168 10 30 AEEERN C=CCSC[C@H]1C[C@@H](OC)C1 871698193 583354326 /nfs/dbraw/zinc/35/43/26/583354326.db2.gz OCRPUZVIVYRNGF-DTORHVGOSA-N 0 0 172.293 2.331 10 30 AEEERN CO[C@H]1C[C@@H](CSCCCC#N)C1 871712643 583354337 /nfs/dbraw/zinc/35/43/37/583354337.db2.gz MKTNZGQURILKIG-AOOOYVTPSA-N 0 0 199.319 2.448 10 30 AEEERN Cc1conc1CON=C1CCC1 871733926 583354345 /nfs/dbraw/zinc/35/43/45/583354345.db2.gz SOWCJVCMJYDVTR-UHFFFAOYSA-N 0 0 180.207 2.040 10 30 AEEERN CC#CCSCc1nocc1C 871713787 583354384 /nfs/dbraw/zinc/35/43/84/583354384.db2.gz DTIMXDXCAZAENG-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN C(=NOCCCC1CC1)[C@@H]1CCCO1 871760759 583354764 /nfs/dbraw/zinc/35/47/64/583354764.db2.gz LNHRVQWCMJPHHT-NSHDSACASA-N 0 0 197.278 2.358 10 30 AEEERN N#Cc1ccc(CON=CC2CC2)o1 871760013 583354968 /nfs/dbraw/zinc/35/49/68/583354968.db2.gz CNDCUSNQXLRQQX-UHFFFAOYSA-N 0 0 190.202 2.064 10 30 AEEERN C=C(C)CCON=C(N)C1CCC1 871765933 583355030 /nfs/dbraw/zinc/35/50/30/583355030.db2.gz QAJBOACRJJTUSL-UHFFFAOYSA-N 0 0 182.267 2.251 10 30 AEEERN C(=NOCCCC1CC1)[C@H]1CCCO1 871760758 583355227 /nfs/dbraw/zinc/35/52/27/583355227.db2.gz LNHRVQWCMJPHHT-LLVKDONJSA-N 0 0 197.278 2.358 10 30 AEEERN C=CCCCNc1ccn(CCF)n1 871861773 583355957 /nfs/dbraw/zinc/35/59/57/583355957.db2.gz SAEUBMIPHLWJKA-UHFFFAOYSA-N 0 0 197.257 2.231 10 30 AEEERN C=C(CC)CNc1ccn(CCF)n1 871861735 583356122 /nfs/dbraw/zinc/35/61/22/583356122.db2.gz FSDCDWUGRQAMGO-UHFFFAOYSA-N 0 0 197.257 2.231 10 30 AEEERN CCNc1cc(C#N)c(F)cc1C 871870670 583356266 /nfs/dbraw/zinc/35/62/66/583356266.db2.gz OMRPRDVOIPAQCP-UHFFFAOYSA-N 0 0 178.210 2.438 10 30 AEEERN C=C(C)CCNc1ccn(CCF)n1 871862467 583356400 /nfs/dbraw/zinc/35/64/00/583356400.db2.gz NHPBFQRZSNOETF-UHFFFAOYSA-N 0 0 197.257 2.231 10 30 AEEERN C#CCc1c(C)nn(CC(C)C)c1C 871939681 583356706 /nfs/dbraw/zinc/35/67/06/583356706.db2.gz FBRGOPFOWAZTLJ-UHFFFAOYSA-N 0 0 190.290 2.332 10 30 AEEERN C#CCn1nc(C)c(CCCC)c1C 871961026 583357798 /nfs/dbraw/zinc/35/77/98/583357798.db2.gz FBJPPKUFZIQXTP-UHFFFAOYSA-N 0 0 190.290 2.476 10 30 AEEERN C#CCc1c(C)nn(CC(=C)C)c1C 871950927 583357895 /nfs/dbraw/zinc/35/78/95/583357895.db2.gz HSTLGTZUBHVJBJ-UHFFFAOYSA-N 0 0 188.274 2.252 10 30 AEEERN C#CCc1c(C)nn(CCC)c1C 871945911 583357922 /nfs/dbraw/zinc/35/79/22/583357922.db2.gz CJZRDZSBVWLNFC-UHFFFAOYSA-N 0 0 176.263 2.086 10 30 AEEERN C#CCc1c(C)nn(C2CC2)c1C 871958112 583358093 /nfs/dbraw/zinc/35/80/93/583358093.db2.gz CXFHLHWSAOFPLN-UHFFFAOYSA-N 0 0 174.247 2.011 10 30 AEEERN C=CCC1(C=NOCC)CCOCC1 872339861 583362444 /nfs/dbraw/zinc/36/24/44/583362444.db2.gz BQSVCUUALNYFMD-UHFFFAOYSA-N 0 0 197.278 2.382 10 30 AEEERN CCOc1cccc(F)c1C=NOC 872341099 583362540 /nfs/dbraw/zinc/36/25/40/583362540.db2.gz BZMJBYTWOLCGEF-UHFFFAOYSA-N 0 0 197.209 2.205 10 30 AEEERN CCON=C1CCCc2ncccc21 872339900 583362673 /nfs/dbraw/zinc/36/26/73/583362673.db2.gz DHZCCEWTWMUTHV-UHFFFAOYSA-N 0 0 190.246 2.159 10 30 AEEERN CC(C)N(CCC#N)Cc1ccoc1 124044782 583363563 /nfs/dbraw/zinc/36/35/63/583363563.db2.gz FOMTWKFSEAFLGA-UHFFFAOYSA-N 0 0 192.262 2.404 10 30 AEEERN FC(F)(F)CON=C1CC[C@@H]2C[C@H]12 872357569 583363866 /nfs/dbraw/zinc/36/38/66/583363866.db2.gz GIUTXHUWEFCIMV-RITPCOANSA-N 0 0 193.168 2.351 10 30 AEEERN C=CCNN=Cc1csc(C)c1C 872373398 583364116 /nfs/dbraw/zinc/36/41/16/583364116.db2.gz HUMYQZOIGKGZIE-UHFFFAOYSA-N 0 0 194.303 2.474 10 30 AEEERN C=C(C)CN=NC1CCOC(C)(C)C1 872374199 583364248 /nfs/dbraw/zinc/36/42/48/583364248.db2.gz UTHFUODVRMDEGK-UHFFFAOYSA-N 0 0 196.294 2.097 10 30 AEEERN C#CCON=CC1(C(C)C)CC1 872376840 583364419 /nfs/dbraw/zinc/36/44/19/583364419.db2.gz SUNYFJQYSILLMM-UHFFFAOYSA-N 0 0 165.236 2.058 10 30 AEEERN C#CCON=CC1(C)CCCC1 872374670 583364587 /nfs/dbraw/zinc/36/45/87/583364587.db2.gz GSEATTMZRYUVMP-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN C#CCON=C[C@@H]1CCC(F)(F)C1 872374893 583364661 /nfs/dbraw/zinc/36/46/61/583364661.db2.gz MQQLBKLJDOUVCD-MRVPVSSYSA-N 0 0 187.189 2.057 10 30 AEEERN C=C(C)CNN=C1CCC[C@H]1F 872374224 583364722 /nfs/dbraw/zinc/36/47/22/583364722.db2.gz UYJGGTVKBORBNH-MRVPVSSYSA-N 0 0 170.231 2.030 10 30 AEEERN C#CCON=C[C@H]1CCC(F)(F)C1 872374894 583364756 /nfs/dbraw/zinc/36/47/56/583364756.db2.gz MQQLBKLJDOUVCD-QMMMGPOBSA-N 0 0 187.189 2.057 10 30 AEEERN C=C(C)CNN=C1CCC[C@@H]1F 872374229 583364775 /nfs/dbraw/zinc/36/47/75/583364775.db2.gz UYJGGTVKBORBNH-QMMMGPOBSA-N 0 0 170.231 2.030 10 30 AEEERN C#CCON=CCCCC1CC1 872374851 583364868 /nfs/dbraw/zinc/36/48/68/583364868.db2.gz LRGJRTPIFQEWKA-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN C=CCON=C1CCOC(C)(C)C1 872379604 583365210 /nfs/dbraw/zinc/36/52/10/583365210.db2.gz DSRFLVRGPVYDKT-UHFFFAOYSA-N 0 0 183.251 2.134 10 30 AEEERN C=CCON=C(CC)[C@@H]1CCCOC1 872379631 583365601 /nfs/dbraw/zinc/36/56/01/583365601.db2.gz FTMQPLHTNFVXGC-SNVBAGLBSA-N 0 0 197.278 2.382 10 30 AEEERN CCCON=C1CC[C@@H]2C[C@H]12 872383225 583365682 /nfs/dbraw/zinc/36/56/82/583365682.db2.gz BEYDRYFWXMKQCI-SFYZADRCSA-N 0 0 153.225 2.199 10 30 AEEERN C=CCON=C(CC)[C@H]1CCCOC1 872379630 583365822 /nfs/dbraw/zinc/36/58/22/583365822.db2.gz FTMQPLHTNFVXGC-JTQLQIEISA-N 0 0 197.278 2.382 10 30 AEEERN C#CCNN=CC1(CC=C)CCCC1 872379521 583365831 /nfs/dbraw/zinc/36/58/31/583365831.db2.gz BOMWCHCRFDDWME-UHFFFAOYSA-N 0 0 190.290 2.332 10 30 AEEERN C#CCON=Cc1csc(C)c1C 872377334 583365931 /nfs/dbraw/zinc/36/59/31/583365931.db2.gz YYYRWPBWRKJKPA-UHFFFAOYSA-N 0 0 193.271 2.349 10 30 AEEERN C=C[C@@H](C)ON=CCCCCCO 872387500 583366179 /nfs/dbraw/zinc/36/61/79/583366179.db2.gz RJYJKEYPBMXALK-SNVBAGLBSA-N 0 0 185.267 2.116 10 30 AEEERN CC(=NN1CCC1)[C@H]1CC1(C)C 872398583 583366234 /nfs/dbraw/zinc/36/62/34/583366234.db2.gz XXQHJNGGRBNVDS-SECBINFHSA-N 0 0 166.268 2.114 10 30 AEEERN CC(=NN1CCC1)[C@@H]1CC1(C)C 872398584 583366520 /nfs/dbraw/zinc/36/65/20/583366520.db2.gz XXQHJNGGRBNVDS-VIFPVBQESA-N 0 0 166.268 2.114 10 30 AEEERN C=C[C@H](C)ON=CCCCCCO 872387498 583366548 /nfs/dbraw/zinc/36/65/48/583366548.db2.gz RJYJKEYPBMXALK-JTQLQIEISA-N 0 0 185.267 2.116 10 30 AEEERN C=C[C@H](C)ON=C1CC[C@@H]2C[C@H]12 872386780 583366690 /nfs/dbraw/zinc/36/66/90/583366690.db2.gz BUPLYPBQGYAYCM-YIZRAAEISA-N 0 0 165.236 2.363 10 30 AEEERN C1CN(N=C2C[C@H]3CC[C@@H](C2)C3)C1 872398859 583366710 /nfs/dbraw/zinc/36/67/10/583366710.db2.gz KMDYXUDLBQFDFM-AOOOYVTPSA-N 0 0 178.279 2.258 10 30 AEEERN C=C[C@@H](C)ON=C1CC[C@@H]2C[C@H]12 872386779 583366742 /nfs/dbraw/zinc/36/67/42/583366742.db2.gz BUPLYPBQGYAYCM-HLTSFMKQSA-N 0 0 165.236 2.363 10 30 AEEERN C=C(C)CON=CCCCCCO 872386641 583366953 /nfs/dbraw/zinc/36/69/53/583366953.db2.gz UPFMQIIMROTBBC-UHFFFAOYSA-N 0 0 185.267 2.118 10 30 AEEERN CC(=NN1CCC1)C1CC(F)(F)C1 872398749 583368995 /nfs/dbraw/zinc/36/89/95/583368995.db2.gz GOGFSNBFIFEBCB-UHFFFAOYSA-N 0 0 188.221 2.113 10 30 AEEERN C=CC(C)(C)CCCNC(=O)OC 872545810 583369367 /nfs/dbraw/zinc/36/93/67/583369367.db2.gz MUTCHTQSXPJEFE-UHFFFAOYSA-N 0 0 185.267 2.335 10 30 AEEERN C1CN(N=C2CCCC23CC3)C1 872399077 583369376 /nfs/dbraw/zinc/36/93/76/583369376.db2.gz VFNDEGGLBHXCEP-UHFFFAOYSA-N 0 0 164.252 2.012 10 30 AEEERN C1=C[C@@H]2CC[C@H]1CC2=NN1CCC1 872398576 583369390 /nfs/dbraw/zinc/36/93/90/583369390.db2.gz XJPXKSMGWIQBLJ-VHSXEESVSA-N 0 0 176.263 2.034 10 30 AEEERN CCN(Cc1ccoc1)C[C@@H](C)C#N 124356051 583370134 /nfs/dbraw/zinc/37/01/34/583370134.db2.gz UDNGTFZWBVYJEO-JTQLQIEISA-N 0 0 192.262 2.261 10 30 AEEERN C=CC[C@H](C)NC(=O)N1CCCCC1 124268750 583370585 /nfs/dbraw/zinc/37/05/85/583370585.db2.gz CEJXUSWXOIWWEN-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN CCN(Cc1ccoc1)C[C@H](C)C#N 124356274 583370684 /nfs/dbraw/zinc/37/06/84/583370684.db2.gz UDNGTFZWBVYJEO-SNVBAGLBSA-N 0 0 192.262 2.261 10 30 AEEERN C=CC[C@@H](C)NC(=O)N1CCCCC1 124268967 583370949 /nfs/dbraw/zinc/37/09/49/583370949.db2.gz CEJXUSWXOIWWEN-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCOC(=O)C1(OC(C)C)CCC1 873443039 583375018 /nfs/dbraw/zinc/37/50/18/583375018.db2.gz MDLNBZIAFFGTSC-UHFFFAOYSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCOC(=O)c1ccn(CC)c1C 873486186 583375081 /nfs/dbraw/zinc/37/50/81/583375081.db2.gz ILSFONQNHWVTJJ-UHFFFAOYSA-N 0 0 193.246 2.159 10 30 AEEERN C=CC(C)(C)CC(=O)Nc1cnoc1 888624984 583375522 /nfs/dbraw/zinc/37/55/22/583375522.db2.gz WXVHADDEVOEEDV-UHFFFAOYSA-N 0 0 194.234 2.215 10 30 AEEERN C#CCN(CC)C(=O)CC(C)=C(C)C 874167616 583380578 /nfs/dbraw/zinc/38/05/78/583380578.db2.gz XUDGIGVSMAAWJZ-UHFFFAOYSA-N 0 0 193.290 2.215 10 30 AEEERN C=CCCCN(C)C(=O)OCC 125096567 583381428 /nfs/dbraw/zinc/38/14/28/583381428.db2.gz GIKGAPGMZOCSLY-UHFFFAOYSA-N 0 0 171.240 2.041 10 30 AEEERN CC#CC(=O)N(C)C[C@@H](C)C(C)(C)C 874593084 583381717 /nfs/dbraw/zinc/38/17/17/583381717.db2.gz WMKOHQWAXWGGGH-SNVBAGLBSA-N 0 0 195.306 2.150 10 30 AEEERN CC#CC(=O)N1CCCC1(CC)CC 874630783 583381857 /nfs/dbraw/zinc/38/18/57/583381857.db2.gz XCKSYHXAFZMKIW-UHFFFAOYSA-N 0 0 193.290 2.191 10 30 AEEERN CC#CC(=O)N(C)C[C@H](C)C(C)(C)C 874593083 583381930 /nfs/dbraw/zinc/38/19/30/583381930.db2.gz WMKOHQWAXWGGGH-JTQLQIEISA-N 0 0 195.306 2.150 10 30 AEEERN C=CCCOc1ccccc1C=O 20519354 583381952 /nfs/dbraw/zinc/38/19/52/583381952.db2.gz DNBLEQOKFSHZOM-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C#C[C@H]1CC[C@H](NC(=O)CCC)CC1 874866709 583383428 /nfs/dbraw/zinc/38/34/28/583383428.db2.gz HMLIXWDDMRQKNN-XYPYZODXSA-N 0 0 193.290 2.095 10 30 AEEERN C=CCN(C(=O)NC/C=C/C)C(C)C 875874994 583385888 /nfs/dbraw/zinc/38/58/88/583385888.db2.gz DOGAWVNIYLZDIO-FNORWQNLSA-N 0 0 196.294 2.169 10 30 AEEERN C=CCN(C(=O)NC/C=C\C)C(C)C 875874993 583386370 /nfs/dbraw/zinc/38/63/70/583386370.db2.gz DOGAWVNIYLZDIO-ALCCZGGFSA-N 0 0 196.294 2.169 10 30 AEEERN C#CCCCCCCN(C)CC#N 876589642 583388102 /nfs/dbraw/zinc/38/81/02/583388102.db2.gz NVKDXUUMUOPTRK-UHFFFAOYSA-N 0 0 178.279 2.025 10 30 AEEERN C#CCCCCCCN1CC(F)C1 877308122 583393276 /nfs/dbraw/zinc/39/32/76/583393276.db2.gz PLQLLDGFLJVQFD-UHFFFAOYSA-N 0 0 183.270 2.224 10 30 AEEERN C=CCN(CC=C)Cc1nocc1C 877959262 583400587 /nfs/dbraw/zinc/40/05/87/583400587.db2.gz SZSZVJYBZVEZJL-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN C=C1CCN(Cc2nocc2C)CC1 878087718 583405475 /nfs/dbraw/zinc/40/54/75/583405475.db2.gz VPVAHZUUNOXVIB-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=C(C)CN(CC)C(=O)OC(C)C 126921616 583406952 /nfs/dbraw/zinc/40/69/52/583406952.db2.gz FNKBQRHQEMIHGA-UHFFFAOYSA-N 0 0 185.267 2.429 10 30 AEEERN C=CC[C@H](C)N1CCC(F)(F)C1 878378845 583409679 /nfs/dbraw/zinc/40/96/79/583409679.db2.gz DTWPDFXNXKHZKW-QMMMGPOBSA-N 0 0 175.222 2.292 10 30 AEEERN C=CCN(Cc1nocc1C)C1CC1 878341712 583410018 /nfs/dbraw/zinc/41/00/18/583410018.db2.gz GDQYJQKRTMPCPB-UHFFFAOYSA-N 0 0 192.262 2.133 10 30 AEEERN C=CC[C@@H](C)N1CCC(F)(F)C1 878378844 583410029 /nfs/dbraw/zinc/41/00/29/583410029.db2.gz DTWPDFXNXKHZKW-MRVPVSSYSA-N 0 0 175.222 2.292 10 30 AEEERN C=C/C=C/CCN1CC[C@](F)(C#N)C1 878489944 583410908 /nfs/dbraw/zinc/41/09/08/583410908.db2.gz BRZMQWBODIZGQW-UFFNRZRYSA-N 0 0 194.253 2.056 10 30 AEEERN C=C/C=C\CCN1CC[C@](F)(C#N)C1 878489941 583410947 /nfs/dbraw/zinc/41/09/47/583410947.db2.gz BRZMQWBODIZGQW-BYCRGOAPSA-N 0 0 194.253 2.056 10 30 AEEERN C#CCN(CC(F)(F)CC)C1CC1 878434175 583411179 /nfs/dbraw/zinc/41/11/79/583411179.db2.gz IEIZAYFXDCUJAT-UHFFFAOYSA-N 0 0 187.233 2.129 10 30 AEEERN C=C/C=C\CCN1CC[C@@](F)(C#N)C1 878489942 583411191 /nfs/dbraw/zinc/41/11/91/583411191.db2.gz BRZMQWBODIZGQW-DLRQAJBASA-N 0 0 194.253 2.056 10 30 AEEERN C=C/C=C/CCN1CC[C@@](F)(C#N)C1 878489943 583411259 /nfs/dbraw/zinc/41/12/59/583411259.db2.gz BRZMQWBODIZGQW-PGLGOXFNSA-N 0 0 194.253 2.056 10 30 AEEERN C#CC(C)(C)N(C)CC(F)(F)CC 878514292 583412070 /nfs/dbraw/zinc/41/20/70/583412070.db2.gz RNEWDFRBIMEOKH-UHFFFAOYSA-N 0 0 189.249 2.375 10 30 AEEERN C=CC[C@H](C)N(CC=C)CCC#N 878639189 583412753 /nfs/dbraw/zinc/41/27/53/583412753.db2.gz CTPMOHPMWFCPMM-NSHDSACASA-N 0 0 178.279 2.353 10 30 AEEERN C=CC[C@@H](C)N(CC=C)CCC#N 878639188 583413036 /nfs/dbraw/zinc/41/30/36/583413036.db2.gz CTPMOHPMWFCPMM-LLVKDONJSA-N 0 0 178.279 2.353 10 30 AEEERN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]1C 878686888 583413622 /nfs/dbraw/zinc/41/36/22/583413622.db2.gz IUZCQZBIFHUVML-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN C#CCCN(C)c1ccsc1 878829537 583415481 /nfs/dbraw/zinc/41/54/81/583415481.db2.gz BZXPUKTWHYPANM-UHFFFAOYSA-N 0 0 165.261 2.208 10 30 AEEERN C#CCN(CC=C(C)C)C1CSC1 878909794 583415913 /nfs/dbraw/zinc/41/59/13/583415913.db2.gz BZVHNFZTCNJSHC-UHFFFAOYSA-N 0 0 195.331 2.003 10 30 AEEERN C#CCN(CC)C(=O)CC(C)(C)C=C 879087035 583416831 /nfs/dbraw/zinc/41/68/31/583416831.db2.gz FVVSIRYWVIKTSN-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN C=C[C@@H](C)NC(=O)C[C@@H]1C[C@H]1C1CC1 879137727 583417016 /nfs/dbraw/zinc/41/70/16/583417016.db2.gz VEMAHEKNLZEZIS-MIMYLULJSA-N 0 0 193.290 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)C[C@@H]1C[C@H]1C1CC1 879137726 583417078 /nfs/dbraw/zinc/41/70/78/583417078.db2.gz VEMAHEKNLZEZIS-LSJOCFKGSA-N 0 0 193.290 2.113 10 30 AEEERN C=CCN(C(=O)OC(C)C)C(C)C 127622162 583417095 /nfs/dbraw/zinc/41/70/95/583417095.db2.gz XKQLQFXVNGBJDZ-UHFFFAOYSA-N 0 0 185.267 2.428 10 30 AEEERN C=CC(C)(C)CC(=O)N1CC=CCC1 879411812 583418993 /nfs/dbraw/zinc/41/89/93/583418993.db2.gz CTOZLHUKKWRVCZ-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@@H](C)N(C)OCC(F)(F)F 879516873 583419757 /nfs/dbraw/zinc/41/97/57/583419757.db2.gz OJARUKASLCITET-SSDOTTSWSA-N 0 0 197.200 2.377 10 30 AEEERN C=CC[C@H](C)N(C)OCC(F)(F)F 879516874 583420019 /nfs/dbraw/zinc/42/00/19/583420019.db2.gz OJARUKASLCITET-ZETCQYMHSA-N 0 0 197.200 2.377 10 30 AEEERN C=C(C)CN(C)C(=O)OC(C)C 127838222 583420352 /nfs/dbraw/zinc/42/03/52/583420352.db2.gz GJFOIALMJOLVGW-UHFFFAOYSA-N 0 0 171.240 2.039 10 30 AEEERN C=CCN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 879548714 583420663 /nfs/dbraw/zinc/42/06/63/583420663.db2.gz ICXGYAUDYVCBRF-QWRGUYRKSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCCN(C)C(=O)OC(C)C 127840041 583420679 /nfs/dbraw/zinc/42/06/79/583420679.db2.gz AMVHNDQZKALTGD-UHFFFAOYSA-N 0 0 185.267 2.429 10 30 AEEERN C=C(CC)CN(C)OCC(F)(F)F 879515101 583420818 /nfs/dbraw/zinc/42/08/18/583420818.db2.gz SHPVJSPUZRNSRC-UHFFFAOYSA-N 0 0 197.200 2.378 10 30 AEEERN C#CCN[C@H](CF)c1ccc(F)cc1 879660586 583421898 /nfs/dbraw/zinc/42/18/98/583421898.db2.gz ISVXYNXQFLGNFA-LLVKDONJSA-N 0 0 195.212 2.059 10 30 AEEERN C#CCN[C@@H](CF)c1ccc(F)cc1 879660597 583422071 /nfs/dbraw/zinc/42/20/71/583422071.db2.gz ISVXYNXQFLGNFA-NSHDSACASA-N 0 0 195.212 2.059 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CC(C)(C)C=C 879778255 583422802 /nfs/dbraw/zinc/42/28/02/583422802.db2.gz GLKSZCGKVSXDQU-JTQLQIEISA-N 0 0 193.290 2.069 10 30 AEEERN C=CCCCN(CC)OCC 879795642 583422872 /nfs/dbraw/zinc/42/28/72/583422872.db2.gz CDTOMLVOVLDCBP-UHFFFAOYSA-N 0 0 157.257 2.226 10 30 AEEERN C=C(Cl)CN(CC)OCC 879794721 583422968 /nfs/dbraw/zinc/42/29/68/583422968.db2.gz HGIXNPDWNJDFAF-UHFFFAOYSA-N 0 0 163.648 2.012 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CC(C)(C)C=C 879778256 583423284 /nfs/dbraw/zinc/42/32/84/583423284.db2.gz GLKSZCGKVSXDQU-SNVBAGLBSA-N 0 0 193.290 2.069 10 30 AEEERN C=CC(C)(C)CC(=O)N1CC(C)C1 879775303 583423316 /nfs/dbraw/zinc/42/33/16/583423316.db2.gz WTVZZKHXDOKWQB-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(Cl)CN1OC2CCC1CC2 879798205 583423667 /nfs/dbraw/zinc/42/36/67/583423667.db2.gz MXTJCCKXBNLCSI-UHFFFAOYSA-N 0 0 187.670 2.297 10 30 AEEERN C=C(C)CCN(CC)OCC 879798686 583423898 /nfs/dbraw/zinc/42/38/98/583423898.db2.gz FNPPBNGBLVQUBB-UHFFFAOYSA-N 0 0 157.257 2.226 10 30 AEEERN C=CC(C)(C)CC(=O)N1CC(C)(F)C1 879825647 583424679 /nfs/dbraw/zinc/42/46/79/583424679.db2.gz IEULLNAIYBIAIC-UHFFFAOYSA-N 0 0 199.269 2.159 10 30 AEEERN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H]1C 880126350 583425451 /nfs/dbraw/zinc/42/54/51/583425451.db2.gz BMUMMSPMHPMYEN-VHSXEESVSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H]1C 880126348 583425475 /nfs/dbraw/zinc/42/54/75/583425475.db2.gz BMUMMSPMHPMYEN-UWVGGRQHSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]1C 880126347 583425499 /nfs/dbraw/zinc/42/54/99/583425499.db2.gz BMUMMSPMHPMYEN-NXEZZACHSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H]1C 880126352 583425501 /nfs/dbraw/zinc/42/55/01/583425501.db2.gz BMUMMSPMHPMYEN-ZJUUUORDSA-N 0 0 195.306 2.456 10 30 AEEERN C=CC(C)(C)CC(=O)N1CC[C@@H](F)C1 880166537 583425637 /nfs/dbraw/zinc/42/56/37/583425637.db2.gz AVGAOCJODVTGPN-SECBINFHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CC(C)(C)CC(=O)N1CC[C@H](F)C1 880166539 583425657 /nfs/dbraw/zinc/42/56/57/583425657.db2.gz AVGAOCJODVTGPN-VIFPVBQESA-N 0 0 199.269 2.159 10 30 AEEERN C=CC(C)(C)CC(=O)N[C@@H](C)CF 880106576 583426050 /nfs/dbraw/zinc/42/60/50/583426050.db2.gz MJXVVQPKTWDNGP-QMMMGPOBSA-N 0 0 187.258 2.063 10 30 AEEERN C=CC(C)(C)CC(=O)N(C)CC#CC 880144663 583426119 /nfs/dbraw/zinc/42/61/19/583426119.db2.gz HRNCXGAFVPVKFJ-UHFFFAOYSA-N 0 0 193.290 2.070 10 30 AEEERN C=CC(C)(C)CC(=O)N[C@@H]1CC12CC2 880345791 583430496 /nfs/dbraw/zinc/43/04/96/583430496.db2.gz DYWOKDFIGOAKNI-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC(C)(C)CC(=O)N[C@H]1CC12CC2 880345792 583430703 /nfs/dbraw/zinc/43/07/03/583430703.db2.gz DYWOKDFIGOAKNI-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN N#CCN1C[C@@H]2CC[C@H]1c1ccccc12 880539937 583436273 /nfs/dbraw/zinc/43/62/73/583436273.db2.gz MOZDGPYISADSBP-GWCFXTLKSA-N 0 0 198.269 2.444 10 30 AEEERN C=CC(C)(C)CC(=O)NC/C=C\C 880853971 583439865 /nfs/dbraw/zinc/43/98/65/583439865.db2.gz DCQWUKFABUMGJF-ALCCZGGFSA-N 0 0 181.279 2.281 10 30 AEEERN CCN(CC#N)C/C(Cl)=C\Cl 211209659 583439988 /nfs/dbraw/zinc/43/99/88/583439988.db2.gz BMHCKAYMXREAMZ-FNORWQNLSA-N 0 0 193.077 2.151 10 30 AEEERN C=CC(C)(C)CC(=O)NC/C=C/C 880853972 583440126 /nfs/dbraw/zinc/44/01/26/583440126.db2.gz DCQWUKFABUMGJF-FNORWQNLSA-N 0 0 181.279 2.281 10 30 AEEERN C#CCCCCCC(=O)N1CC[C@H]1C 881481648 583442826 /nfs/dbraw/zinc/44/28/26/583442826.db2.gz IEYXCCWXMMQJTQ-LLVKDONJSA-N 0 0 193.290 2.191 10 30 AEEERN C#CCCCCCC(=O)N1CC[C@@H]1C 881481650 583443004 /nfs/dbraw/zinc/44/30/04/583443004.db2.gz IEYXCCWXMMQJTQ-NSHDSACASA-N 0 0 193.290 2.191 10 30 AEEERN C=CC[C@@H](C)Sc1cccc[n+]1[O-] 882038395 583448524 /nfs/dbraw/zinc/44/85/24/583448524.db2.gz ZTQHVQOMYHLJNA-SECBINFHSA-N 0 0 195.287 2.377 10 30 AEEERN C=CC[C@@H](C)S[C@H](C)C(=O)OC 882092863 583448565 /nfs/dbraw/zinc/44/85/65/583448565.db2.gz JRBXBGCSDOUIOQ-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN C=CC[C@H](C)Sc1nccn1C 882036567 583448613 /nfs/dbraw/zinc/44/86/13/583448613.db2.gz GDOXHODLUOVXMF-QMMMGPOBSA-N 0 0 182.292 2.477 10 30 AEEERN C=CC[C@@H](C)Sc1nncn1CC 882081910 583448672 /nfs/dbraw/zinc/44/86/72/583448672.db2.gz HCWBVLCIVPGMCH-MRVPVSSYSA-N 0 0 197.307 2.355 10 30 AEEERN C=CC[C@H](C)Sc1nncn1CC 882081911 583448710 /nfs/dbraw/zinc/44/87/10/583448710.db2.gz HCWBVLCIVPGMCH-QMMMGPOBSA-N 0 0 197.307 2.355 10 30 AEEERN C=CC[C@H](C)SCC(=O)OCC 882036756 583448813 /nfs/dbraw/zinc/44/88/13/583448813.db2.gz LJNGTLKIUGKCPA-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C[C@@H](C)Nc1nnc(C(C)(C)C)o1 882081833 583448828 /nfs/dbraw/zinc/44/88/28/583448828.db2.gz JSHLFEQVYRNOHS-SSDOTTSWSA-N 0 0 195.266 2.354 10 30 AEEERN C=C[C@H](C)Nc1nnc(C(C)(C)C)o1 882081834 583448845 /nfs/dbraw/zinc/44/88/45/583448845.db2.gz JSHLFEQVYRNOHS-ZETCQYMHSA-N 0 0 195.266 2.354 10 30 AEEERN C=CC[C@H](C)Sc1cccc[n+]1[O-] 882038396 583448867 /nfs/dbraw/zinc/44/88/67/583448867.db2.gz ZTQHVQOMYHLJNA-VIFPVBQESA-N 0 0 195.287 2.377 10 30 AEEERN C=CC[C@H](C)Sc1n[nH]c(CC)n1 882087990 583448933 /nfs/dbraw/zinc/44/89/33/583448933.db2.gz BYSYICTWUXWQTD-ZETCQYMHSA-N 0 0 197.307 2.424 10 30 AEEERN C=CC[C@@H](C)SCC(=O)OCC 882036755 583448947 /nfs/dbraw/zinc/44/89/47/583448947.db2.gz LJNGTLKIUGKCPA-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=CC[C@@H](C)S[C@@H](C)C(=O)OC 882092865 583449045 /nfs/dbraw/zinc/44/90/45/583449045.db2.gz JRBXBGCSDOUIOQ-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN C=CC[C@H](C)S[C@@H](C)C(=O)OC 882092866 583449091 /nfs/dbraw/zinc/44/90/91/583449091.db2.gz JRBXBGCSDOUIOQ-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN C=CC[C@@H](C)Sc1n[nH]c(CC)n1 882087989 583449126 /nfs/dbraw/zinc/44/91/26/583449126.db2.gz BYSYICTWUXWQTD-SSDOTTSWSA-N 0 0 197.307 2.424 10 30 AEEERN C=CC[C@@H](C)Sc1nccn1C 882036566 583449203 /nfs/dbraw/zinc/44/92/03/583449203.db2.gz GDOXHODLUOVXMF-MRVPVSSYSA-N 0 0 182.292 2.477 10 30 AEEERN C=CC[C@H](C)S[C@H](C)C(=O)OC 882092864 583449211 /nfs/dbraw/zinc/44/92/11/583449211.db2.gz JRBXBGCSDOUIOQ-JGVFFNPUSA-N 0 0 188.292 2.246 10 30 AEEERN C=CC[C@H](C)SCCOC 882133294 583449367 /nfs/dbraw/zinc/44/93/67/583449367.db2.gz MAQWFKWZNNNYSL-QMMMGPOBSA-N 0 0 160.282 2.331 10 30 AEEERN C=CC[C@@H](C)SCCOC 882133293 583449506 /nfs/dbraw/zinc/44/95/06/583449506.db2.gz MAQWFKWZNNNYSL-MRVPVSSYSA-N 0 0 160.282 2.331 10 30 AEEERN C=C(C)CN(C)c1ncnc(C)c1C 882166051 583449515 /nfs/dbraw/zinc/44/95/15/583449515.db2.gz JGPGHBWZWGDUQO-UHFFFAOYSA-N 0 0 191.278 2.106 10 30 AEEERN C=CC[C@H](C)SCC(C)=O 882131056 583449704 /nfs/dbraw/zinc/44/97/04/583449704.db2.gz WWWYYADKSDZSKU-QMMMGPOBSA-N 0 0 158.266 2.273 10 30 AEEERN C=CC[C@@H](C)Sc1ncc[nH]1 882129526 583449755 /nfs/dbraw/zinc/44/97/55/583449755.db2.gz UKBWZVLFUQRKMM-SSDOTTSWSA-N 0 0 168.265 2.466 10 30 AEEERN C=CC[C@@H](C)SCC(C)=O 882131055 583449812 /nfs/dbraw/zinc/44/98/12/583449812.db2.gz WWWYYADKSDZSKU-MRVPVSSYSA-N 0 0 158.266 2.273 10 30 AEEERN C=CCOCSc1ccc(C)nn1 882126904 583449925 /nfs/dbraw/zinc/44/99/25/583449925.db2.gz GHAAWXDKAXKIFQ-UHFFFAOYSA-N 0 0 196.275 2.037 10 30 AEEERN C=CC[C@H](C)Sc1ncc[nH]1 882129527 583449941 /nfs/dbraw/zinc/44/99/41/583449941.db2.gz UKBWZVLFUQRKMM-ZETCQYMHSA-N 0 0 168.265 2.466 10 30 AEEERN C=CC[C@H](C)SC[C@H](C)O 882177824 583450213 /nfs/dbraw/zinc/45/02/13/583450213.db2.gz WAXVVAJIXGLGDM-YUMQZZPRSA-N 0 0 160.282 2.065 10 30 AEEERN C=CC[C@@H](C)SC[C@@H](C)O 882177821 583450221 /nfs/dbraw/zinc/45/02/21/583450221.db2.gz WAXVVAJIXGLGDM-HTQZYQBOSA-N 0 0 160.282 2.065 10 30 AEEERN C=CC[C@H](C)n1cc([N+](=O)[O-])c(C)n1 882170106 583450356 /nfs/dbraw/zinc/45/03/56/583450356.db2.gz IFXRAZGYYHKNKU-ZETCQYMHSA-N 0 0 195.222 2.237 10 30 AEEERN C=CC[C@H](C)SC[C@@H](C)O 882177823 583450506 /nfs/dbraw/zinc/45/05/06/583450506.db2.gz WAXVVAJIXGLGDM-SFYZADRCSA-N 0 0 160.282 2.065 10 30 AEEERN C=CC[C@@H](C)SC[C@H](C)O 882177822 583450521 /nfs/dbraw/zinc/45/05/21/583450521.db2.gz WAXVVAJIXGLGDM-JGVFFNPUSA-N 0 0 160.282 2.065 10 30 AEEERN C=C(C)CNc1ncnc(C)c1C 882208294 583450678 /nfs/dbraw/zinc/45/06/78/583450678.db2.gz MNCLYDUDSYFEHS-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C=CC[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 882170105 583450703 /nfs/dbraw/zinc/45/07/03/583450703.db2.gz IFXRAZGYYHKNKU-SSDOTTSWSA-N 0 0 195.222 2.237 10 30 AEEERN C=CCCCNc1ncnc(C)c1C 882280530 583451057 /nfs/dbraw/zinc/45/10/57/583451057.db2.gz GDNBJPSXOYDALD-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=CCCN(C)c1ncnc(C)c1C 882240002 583451509 /nfs/dbraw/zinc/45/15/09/583451509.db2.gz QFBRPEHPVXHAPA-UHFFFAOYSA-N 0 0 191.278 2.106 10 30 AEEERN C=C(C)CCNc1ncnc(C)c1C 882416179 583453187 /nfs/dbraw/zinc/45/31/87/583453187.db2.gz AQZNCKHJXUZCTA-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C#CC1(NC(=O)CCC=C)CCCC1 882535010 583453578 /nfs/dbraw/zinc/45/35/78/583453578.db2.gz KIJNPUUUSSQCPI-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C#CC1(NC(=O)[C@H](C)CC)CCCC1 882538246 583453623 /nfs/dbraw/zinc/45/36/23/583453623.db2.gz VVFOXAYGXCIYBS-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC1(NC(=O)CCCC)CCCC1 882537748 583453631 /nfs/dbraw/zinc/45/36/31/583453631.db2.gz QNLPBTVBAQNSSP-UHFFFAOYSA-N 0 0 193.290 2.239 10 30 AEEERN C#CC1(NC(=O)[C@@H](C)CC)CCCC1 882538245 583453735 /nfs/dbraw/zinc/45/37/35/583453735.db2.gz VVFOXAYGXCIYBS-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN C#CC1(NC(=O)CC(C)C)CCCC1 882537502 583453833 /nfs/dbraw/zinc/45/38/33/583453833.db2.gz KZCGEFGAVISESN-UHFFFAOYSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC1(NC(=O)C=C(C)C)CCCC1 882537292 583454006 /nfs/dbraw/zinc/45/40/06/583454006.db2.gz GZMVBQUJUVRHCG-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C=C(CC)CNc1ncnc(C)c1C 882431734 583454100 /nfs/dbraw/zinc/45/41/00/583454100.db2.gz DTMSIPDRJPHGKT-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=CCCNc1nnc(C(C)(C)C)o1 882596151 583454645 /nfs/dbraw/zinc/45/46/45/583454645.db2.gz PRXKCDBDICQTIE-UHFFFAOYSA-N 0 0 195.266 2.355 10 30 AEEERN C=CCCC(C)(C)CNC(=O)OC 212424631 583454793 /nfs/dbraw/zinc/45/47/93/583454793.db2.gz XLUGZBXYPVWHAO-UHFFFAOYSA-N 0 0 185.267 2.335 10 30 AEEERN C=CCCNc1ncnc(C)c1C 882597642 583455048 /nfs/dbraw/zinc/45/50/48/583455048.db2.gz YGJNSQILGUOGDG-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C#CC1(NC(=O)OCCC)CCCC1 882776428 583456054 /nfs/dbraw/zinc/45/60/54/583456054.db2.gz XOAROZZAPRFBOY-UHFFFAOYSA-N 0 0 195.262 2.069 10 30 AEEERN C=CCNC(=O)NCC[C@H](C)CCC 883037556 583460445 /nfs/dbraw/zinc/46/04/45/583460445.db2.gz CDXJJZIXEUAZEU-SNVBAGLBSA-N 0 0 198.310 2.298 10 30 AEEERN C=C/C=C\CCON=C[C@H]1CCCO1 883018306 583460460 /nfs/dbraw/zinc/46/04/60/583460460.db2.gz XRJITILMZKSQIB-UZGISFGWSA-N 0 0 195.262 2.300 10 30 AEEERN C=C/C=C\CCON=C[C@@H]1CCCO1 883018304 583460581 /nfs/dbraw/zinc/46/05/81/583460581.db2.gz XRJITILMZKSQIB-FFMWFZHBSA-N 0 0 195.262 2.300 10 30 AEEERN C=C/C=C/CCON=C[C@@H]1CCCO1 883018307 583460869 /nfs/dbraw/zinc/46/08/69/583460869.db2.gz XRJITILMZKSQIB-ZMOGVEALSA-N 0 0 195.262 2.300 10 30 AEEERN C=CCNC(=O)NCC[C@@H](C)CCC 883037555 583461074 /nfs/dbraw/zinc/46/10/74/583461074.db2.gz CDXJJZIXEUAZEU-JTQLQIEISA-N 0 0 198.310 2.298 10 30 AEEERN C=C/C=C/CCON=C[C@H]1CCCO1 883018305 583461212 /nfs/dbraw/zinc/46/12/12/583461212.db2.gz XRJITILMZKSQIB-KSSNNYHQSA-N 0 0 195.262 2.300 10 30 AEEERN C=C(Cl)CNCc1ccoc1 131660873 583464537 /nfs/dbraw/zinc/46/45/37/583464537.db2.gz BNIUXAHHZPMGLN-UHFFFAOYSA-N 0 0 171.627 2.122 10 30 AEEERN C=CCC[C@@H](C)OC(=O)CCC(C)=O 800091210 583472673 /nfs/dbraw/zinc/47/26/73/583472673.db2.gz RSYXSLRVDNDTHP-SNVBAGLBSA-N 0 0 198.262 2.254 10 30 AEEERN COCCON=C(C)c1ccccc1 884004069 583472686 /nfs/dbraw/zinc/47/26/86/583472686.db2.gz DQXMFBRCGPOTBD-UHFFFAOYSA-N 0 0 193.246 2.074 10 30 AEEERN C=CCC[C@H](C)OC(=O)CCC(C)=O 800091206 583472697 /nfs/dbraw/zinc/47/26/97/583472697.db2.gz RSYXSLRVDNDTHP-JTQLQIEISA-N 0 0 198.262 2.254 10 30 AEEERN C#CCN(C)C(=O)CCCCCC 133836598 583473354 /nfs/dbraw/zinc/47/33/54/583473354.db2.gz CTOJEYXRDQILRO-UHFFFAOYSA-N 0 0 181.279 2.048 10 30 AEEERN C=C(C)CNN=Cc1cc(C)co1 884469444 583477176 /nfs/dbraw/zinc/47/71/76/583477176.db2.gz JAFGLJORGGYNAC-UHFFFAOYSA-N 0 0 178.235 2.088 10 30 AEEERN C=CCN=NC1CCC[C@H](OC)CC1 884464772 583477259 /nfs/dbraw/zinc/47/72/59/583477259.db2.gz AZDIRCFLLVYVMJ-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=CCN=NC1CCC[C@@H](OC)CC1 884464771 583477453 /nfs/dbraw/zinc/47/74/53/583477453.db2.gz AZDIRCFLLVYVMJ-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN C1CC1NN=C1C[C@H]2CC[C@@H](C1)C2 884449985 583477667 /nfs/dbraw/zinc/47/76/67/583477667.db2.gz UBBSHRVBXOIUNL-DTORHVGOSA-N 0 0 178.279 2.305 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1coc(C)n1 884494047 583478132 /nfs/dbraw/zinc/47/81/32/583478132.db2.gz JIASFMQUXDXAIG-SSDOTTSWSA-N 0 0 195.218 2.104 10 30 AEEERN C=CCCCNc1ncc(C)o1 884491015 583478336 /nfs/dbraw/zinc/47/83/36/583478336.db2.gz LMGAVUDSHKXLDR-UHFFFAOYSA-N 0 0 166.224 2.361 10 30 AEEERN C=CC[C@H](C)OC(=O)c1coc(C)n1 884494048 583478351 /nfs/dbraw/zinc/47/83/51/583478351.db2.gz JIASFMQUXDXAIG-ZETCQYMHSA-N 0 0 195.218 2.104 10 30 AEEERN C=CCCCNc1ccnc(CC)n1 884491102 583478558 /nfs/dbraw/zinc/47/85/58/583478558.db2.gz NNEBINLFCADLIP-UHFFFAOYSA-N 0 0 191.278 2.417 10 30 AEEERN C=C(CC)CNc1ncc(C)o1 884524892 583479092 /nfs/dbraw/zinc/47/90/92/583479092.db2.gz ISGFWTAPDXPKCV-UHFFFAOYSA-N 0 0 166.224 2.361 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cc(F)c[nH]1 884524804 583479198 /nfs/dbraw/zinc/47/91/98/583479198.db2.gz HDZPRJOLLKTFRU-SSDOTTSWSA-N 0 0 197.209 2.275 10 30 AEEERN C=C(C)CCNc1ncc(C)o1 884521049 583479242 /nfs/dbraw/zinc/47/92/42/583479242.db2.gz MHLJHHHDXPSVKN-UHFFFAOYSA-N 0 0 166.224 2.361 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cc(F)c[nH]1 884524805 583479630 /nfs/dbraw/zinc/47/96/30/583479630.db2.gz HDZPRJOLLKTFRU-ZETCQYMHSA-N 0 0 197.209 2.275 10 30 AEEERN C=C/C=C\CCOC(=O)C#CC1CC1 884545216 583480023 /nfs/dbraw/zinc/48/00/23/583480023.db2.gz BECWLUFFAQAMGB-ARJAWSKDSA-N 0 0 190.242 2.075 10 30 AEEERN C=CCCNc1ccnc(CC)n1 884554640 583480280 /nfs/dbraw/zinc/48/02/80/583480280.db2.gz YOGLCOKPDMLIEN-UHFFFAOYSA-N 0 0 177.251 2.027 10 30 AEEERN C=C/C=C/CCOC(=O)C#CC1CC1 884545217 583480330 /nfs/dbraw/zinc/48/03/30/583480330.db2.gz BECWLUFFAQAMGB-ONEGZZNKSA-N 0 0 190.242 2.075 10 30 AEEERN C=C/C=C\CCOC(=O)[C@@H](C)CC#N 884575878 583480887 /nfs/dbraw/zinc/48/08/87/583480887.db2.gz VGLOOXHPOFOKGG-LWTINBJPSA-N 0 0 193.246 2.212 10 30 AEEERN C=C/C=C/CCOC(=O)[C@H](C)CC#N 884575879 583480950 /nfs/dbraw/zinc/48/09/50/583480950.db2.gz VGLOOXHPOFOKGG-ORAHPGNNSA-N 0 0 193.246 2.212 10 30 AEEERN C=C/C=C\CCOC(=O)[C@H](C)CC#N 884575880 583480970 /nfs/dbraw/zinc/48/09/70/583480970.db2.gz VGLOOXHPOFOKGG-UMCURTJPSA-N 0 0 193.246 2.212 10 30 AEEERN C=C/C=C/CCOC(=O)[C@@H](C)CC#N 884575881 583481110 /nfs/dbraw/zinc/48/11/10/583481110.db2.gz VGLOOXHPOFOKGG-YEZKRMTDSA-N 0 0 193.246 2.212 10 30 AEEERN C=CCCC(=O)O[C@H](C)C=C 215834432 583481449 /nfs/dbraw/zinc/48/14/49/583481449.db2.gz DJODCGUESGVHSF-MRVPVSSYSA-N 0 0 154.209 2.070 10 30 AEEERN C=CCCC(=O)O[C@@H](C)C=C 215834383 583481621 /nfs/dbraw/zinc/48/16/21/583481621.db2.gz DJODCGUESGVHSF-QMMMGPOBSA-N 0 0 154.209 2.070 10 30 AEEERN C=CCC[C@@H](C)OC(=O)COC1CC1 884658148 583482272 /nfs/dbraw/zinc/48/22/72/583482272.db2.gz ZIPXTOZGFRPVAU-SECBINFHSA-N 0 0 198.262 2.063 10 30 AEEERN C=CCOC(=O)C[C@@H]1C[C@H]1C1CC1 884640963 583482283 /nfs/dbraw/zinc/48/22/83/583482283.db2.gz WFHWJCMJCJXHKP-UWVGGRQHSA-N 0 0 180.247 2.152 10 30 AEEERN C=CC(C)(C)CC(=O)OCC#CC 884649446 583482388 /nfs/dbraw/zinc/48/23/88/583482388.db2.gz CZXDUQYGGSKMOB-UHFFFAOYSA-N 0 0 180.247 2.155 10 30 AEEERN C=CCC[C@H](C)OC(=O)COC1CC1 884658149 583482482 /nfs/dbraw/zinc/48/24/82/583482482.db2.gz ZIPXTOZGFRPVAU-VIFPVBQESA-N 0 0 198.262 2.063 10 30 AEEERN C=CC(C)(C)CC(=O)OCCF 884648752 583482515 /nfs/dbraw/zinc/48/25/15/583482515.db2.gz HDNZMUFHGFWNEA-UHFFFAOYSA-N 0 0 174.215 2.101 10 30 AEEERN C=CCCCCOC(=O)COC1CC1 884659356 583482583 /nfs/dbraw/zinc/48/25/83/583482583.db2.gz POUVQJBUWFQSQC-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C#CCCOC(=O)CC(C)(C)C=C 884649520 583482667 /nfs/dbraw/zinc/48/26/67/583482667.db2.gz GKNXTZUFDJMSRR-UHFFFAOYSA-N 0 0 180.247 2.155 10 30 AEEERN C=CC(C)(C)CC(=O)OCCCF 884649574 583482683 /nfs/dbraw/zinc/48/26/83/583482683.db2.gz ICCBOMUJLWWYTP-UHFFFAOYSA-N 0 0 188.242 2.492 10 30 AEEERN CC[C@@H](C#N)OC(=O)c1cc(C)co1 884710394 583482930 /nfs/dbraw/zinc/48/29/30/583482930.db2.gz HSTVVYILTDJYCJ-QMMMGPOBSA-N 0 0 193.202 2.047 10 30 AEEERN CC[C@H](C#N)OC(=O)c1cc(C)co1 884710393 583483927 /nfs/dbraw/zinc/48/39/27/583483927.db2.gz HSTVVYILTDJYCJ-MRVPVSSYSA-N 0 0 193.202 2.047 10 30 AEEERN C#CCOC(=O)[C@@]1(C)CCC[C@H]1CC 885057962 583484613 /nfs/dbraw/zinc/48/46/13/583484613.db2.gz SVKFRQSUALWIEM-PWSUYJOCSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)[C@]1(C)CCC[C@@H]1CC 885057960 583484625 /nfs/dbraw/zinc/48/46/25/583484625.db2.gz SVKFRQSUALWIEM-CMPLNLGQSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)[C@]1(C)CCC[C@H]1CC 885057963 583484914 /nfs/dbraw/zinc/48/49/14/583484914.db2.gz SVKFRQSUALWIEM-ZYHUDNBSSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCOC(=O)[C@@]1(C)CCC[C@@H]1CC 885057961 583484919 /nfs/dbraw/zinc/48/49/19/583484919.db2.gz SVKFRQSUALWIEM-JQWIXIFHSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCOC(=O)N(CC)CC(C)C 885372417 583486462 /nfs/dbraw/zinc/48/64/62/583486462.db2.gz FNTNGNHPQGZDMJ-UHFFFAOYSA-N 0 0 197.278 2.124 10 30 AEEERN C#CCCCOC(=O)C1(C2CC2)CC1 885732405 583487806 /nfs/dbraw/zinc/48/78/06/583487806.db2.gz RSABOCVDIVUCOK-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCCOC(=O)C1(C2CC2)CC1 885730119 583487931 /nfs/dbraw/zinc/48/79/31/583487931.db2.gz AIWDVXOUFCKFEO-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN CC#CCCOC(=O)C1(C2CC2)CC1 885732407 583488067 /nfs/dbraw/zinc/48/80/67/583488067.db2.gz RUSDYYUJWJGJAJ-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C=C(C)COC(=O)C1(C2CC2)CC1 885733126 583488254 /nfs/dbraw/zinc/48/82/54/583488254.db2.gz OTOFAMVFXVBUJE-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN C=CCCC(=O)NC[C@@]12CCC[C@@H]1C2 886004948 583489705 /nfs/dbraw/zinc/48/97/05/583489705.db2.gz UGYQMCYWYVTZKP-PWSUYJOCSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCCCOC(=O)c1ccccn1 218110095 583491317 /nfs/dbraw/zinc/49/13/17/583491317.db2.gz CJGNTKZNZKDFJO-UHFFFAOYSA-N 0 0 191.230 2.205 10 30 AEEERN O=C(/C=C/c1ncc[nH]1)c1ccccc1 137278565 583493110 /nfs/dbraw/zinc/49/31/10/583493110.db2.gz QXOCESWYEPTDKD-VOTSOKGWSA-N 0 0 198.225 2.306 10 30 AEEERN CCCSC[C@H](C)S 138537030 583500576 /nfs/dbraw/zinc/50/05/76/583500576.db2.gz SCOGLIIXMIAREE-LURJTMIESA-N 0 0 150.312 2.448 10 30 AEEERN CCCSC[C@@H](C)S 138536908 583500755 /nfs/dbraw/zinc/50/07/55/583500755.db2.gz SCOGLIIXMIAREE-ZCFIWIBFSA-N 0 0 150.312 2.448 10 30 AEEERN C#CCC1(NC(=O)[C@@H](C)CC)CCC1 886787999 583501018 /nfs/dbraw/zinc/50/10/18/583501018.db2.gz MTRAUFVPPSKEOV-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN C#CCC1(NC(=O)/C(C)=C\C)CCC1 886792946 583501201 /nfs/dbraw/zinc/50/12/01/583501201.db2.gz UAYTWUPSNNWIIV-YHYXMXQVSA-N 0 0 191.274 2.015 10 30 AEEERN C#CCC1(NC(=O)[C@H](C)CC)CCC1 886788000 583501241 /nfs/dbraw/zinc/50/12/41/583501241.db2.gz MTRAUFVPPSKEOV-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C#CCC1(NC(=O)C=C(C)C)CCC1 886784700 583501405 /nfs/dbraw/zinc/50/14/05/583501405.db2.gz UFKKQMRSUQXMHW-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C#CCC1(NC(=O)CCCC)CCC1 886788132 583501612 /nfs/dbraw/zinc/50/16/12/583501612.db2.gz SILMHJOIPXBWHX-UHFFFAOYSA-N 0 0 193.290 2.239 10 30 AEEERN C#CCC1(NC(=O)CC(C)C)CCC1 886784748 583501624 /nfs/dbraw/zinc/50/16/24/583501624.db2.gz WDFSAPCGLFYFHK-UHFFFAOYSA-N 0 0 193.290 2.095 10 30 AEEERN C=CCOC(=O)[C@@H]1CC=CC[C@H]1C 220562161 583501639 /nfs/dbraw/zinc/50/16/39/583501639.db2.gz YQZRXRUWFIOLOD-NXEZZACHSA-N 0 0 180.247 2.318 10 30 AEEERN C#CCC1(NC(=O)/C(C)=C/C)CCC1 886792945 583501775 /nfs/dbraw/zinc/50/17/75/583501775.db2.gz UAYTWUPSNNWIIV-BJMVGYQFSA-N 0 0 191.274 2.015 10 30 AEEERN C#CCC1(NC(=O)CCC=C)CCC1 886789789 583501800 /nfs/dbraw/zinc/50/18/00/583501800.db2.gz DBINJSFTNDNYPT-UHFFFAOYSA-N 0 0 191.274 2.015 10 30 AEEERN C#CCOC(=O)C1CCCCCC1 220872561 583502446 /nfs/dbraw/zinc/50/24/46/583502446.db2.gz GNIJINKQFPQKIY-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN Oc1c(F)cc(F)cc1CS 139756163 583504687 /nfs/dbraw/zinc/50/46/87/583504687.db2.gz SFCBGSPGGLMPGM-UHFFFAOYSA-N 0 0 176.187 2.100 10 30 AEEERN CC#CCN(CC(F)F)C1CCC1 887098806 583505088 /nfs/dbraw/zinc/50/50/88/583505088.db2.gz CEBQSLBTZCMNSV-UHFFFAOYSA-N 0 0 187.233 2.129 10 30 AEEERN C#CCCOC(=O)c1ccc(C)cc1 139824993 583505156 /nfs/dbraw/zinc/50/51/56/583505156.db2.gz GBAGPFNRSDBEHS-UHFFFAOYSA-N 0 0 188.226 2.175 10 30 AEEERN C[C@@H](S)c1cccc(N)c1 221969484 583507320 /nfs/dbraw/zinc/50/73/20/583507320.db2.gz FXACIZKYQGXXKE-ZCFIWIBFSA-N 0 0 153.250 2.260 10 30 AEEERN C[C@H](S)c1cccc(N)c1 221969423 583507450 /nfs/dbraw/zinc/50/74/50/583507450.db2.gz FXACIZKYQGXXKE-LURJTMIESA-N 0 0 153.250 2.260 10 30 AEEERN C#CCCCCC(=O)N1CCCCC1 222813808 583508902 /nfs/dbraw/zinc/50/89/02/583508902.db2.gz DBQKUTLBNPNRHQ-UHFFFAOYSA-N 0 0 193.290 2.193 10 30 AEEERN C=CCCC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 889589739 583511650 /nfs/dbraw/zinc/51/16/50/583511650.db2.gz FJWBGDIPDTUKHI-OUAUKWLOSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCCC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 889589737 583511660 /nfs/dbraw/zinc/51/16/60/583511660.db2.gz FJWBGDIPDTUKHI-GMTAPVOTSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCCC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]21 889589736 583511833 /nfs/dbraw/zinc/51/18/33/583511833.db2.gz FJWBGDIPDTUKHI-GARJFASQSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCCC(=O)N[C@@H]1C[C@@H]2CCC[C@H]21 889589738 583512112 /nfs/dbraw/zinc/51/21/12/583512112.db2.gz FJWBGDIPDTUKHI-HBNTYKKESA-N 0 0 193.290 2.257 10 30 AEEERN C=CCN(C)C(=O)C1CCC(=C)CC1 890049181 583512456 /nfs/dbraw/zinc/51/24/56/583512456.db2.gz FXHISJIBFSRUEQ-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCCN(C)C(=O)C1(C2CC2)CC1 890130503 583512609 /nfs/dbraw/zinc/51/26/09/583512609.db2.gz VPEXIKNMNPNIFA-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)CN(C)C(=O)C1(C2CC2)CC1 889882400 583512802 /nfs/dbraw/zinc/51/28/02/583512802.db2.gz ZRMGOXBWANAKCG-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CCC(C(=O)N[C@@H]2C[C@H]2C)CC1 890461927 583513438 /nfs/dbraw/zinc/51/34/38/583513438.db2.gz OGDJXDICSRRSMG-MWLCHTKSSA-N 0 0 193.290 2.257 10 30 AEEERN CCCCCCCNC(=O)OC 110088438 583513604 /nfs/dbraw/zinc/51/36/04/583513604.db2.gz FTNVYYWQTDSXJO-UHFFFAOYSA-N 0 0 173.256 2.313 10 30 AEEERN C=C/C=C(\C)CCC=O 196089053 490060880 /nfs/dbraw/zinc/06/08/80/490060880.db2.gz KVCMIXBQQKBSJL-VMPITWQZSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCNC(=O)NCC1CCCCC1 217597773 490067993 /nfs/dbraw/zinc/06/79/93/490067993.db2.gz SVAYEERYUIVVMA-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CCCCNC(=O)c1cccs1 217715735 490068333 /nfs/dbraw/zinc/06/83/33/490068333.db2.gz HWFUIKHLGNYYJW-UHFFFAOYSA-N 0 0 195.287 2.444 10 30 AEEERN C[C@@]12CCC(=O)C=C1CC[C@@H]2C#N 220078529 490074127 /nfs/dbraw/zinc/07/41/27/490074127.db2.gz UYIWKJSDHWEWLE-MWLCHTKSSA-N 0 0 175.231 2.216 10 30 AEEERN C=CCNc1ccn(C(C)C)n1 300822471 490103686 /nfs/dbraw/zinc/10/36/86/490103686.db2.gz GCYCJZFXAVNKCU-UHFFFAOYSA-N 0 0 165.240 2.062 10 30 AEEERN CC#CCN1CCCC[C@H]1C(F)F 306283438 490119425 /nfs/dbraw/zinc/11/94/25/490119425.db2.gz ISDOGMWCTPPNQD-VIFPVBQESA-N 0 0 187.233 2.129 10 30 AEEERN CC#CCN1CCCC[C@@H]1C(F)F 306283436 490119440 /nfs/dbraw/zinc/11/94/40/490119440.db2.gz ISDOGMWCTPPNQD-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN C=CCCc1noc(COCCC)n1 351126124 490137156 /nfs/dbraw/zinc/13/71/56/490137156.db2.gz CUPZYYJIKZZXJK-UHFFFAOYSA-N 0 0 196.250 2.115 10 30 AEEERN C=CCCc1noc([C@@H](CC)OC)n1 351126876 490137476 /nfs/dbraw/zinc/13/74/76/490137476.db2.gz FFXWAABOQOELTR-MRVPVSSYSA-N 0 0 196.250 2.286 10 30 AEEERN C=CC(C)(C)c1nc(CC2CC2)no1 351054557 490137483 /nfs/dbraw/zinc/13/74/83/490137483.db2.gz HMRYMOAZIFWCBY-UHFFFAOYSA-N 0 0 192.262 2.486 10 30 AEEERN C=CCCc1noc([C@H](CC)OC)n1 351126877 490137506 /nfs/dbraw/zinc/13/75/06/490137506.db2.gz FFXWAABOQOELTR-QMMMGPOBSA-N 0 0 196.250 2.286 10 30 AEEERN C=CCCc1noc(C2CC2)n1 351126139 490137709 /nfs/dbraw/zinc/13/77/09/490137709.db2.gz CYVJOBOLZDHXIN-UHFFFAOYSA-N 0 0 164.208 2.066 10 30 AEEERN CC(C)(C)C#Cc1ncc(F)cn1 585143970 490156903 /nfs/dbraw/zinc/15/69/03/490156903.db2.gz WIPYFSHDSFEJPN-UHFFFAOYSA-N 0 0 178.210 2.013 10 30 AEEERN Cc1ccnc(C#CC2CC2)c1 585143966 490156930 /nfs/dbraw/zinc/15/69/30/490156930.db2.gz WCJNIBQLSFQLDP-UHFFFAOYSA-N 0 0 157.216 2.152 10 30 AEEERN CC#CCOc1ccccc1C 82865103 491022826 /nfs/dbraw/zinc/02/28/26/491022826.db2.gz AOYWTLUQZUIDPY-UHFFFAOYSA-N 0 0 160.216 2.397 10 30 AEEERN CCOc1ccccc1/C(C)=N/O 19425790 491020945 /nfs/dbraw/zinc/02/09/45/491020945.db2.gz QYIVCSSWIYAODR-DHZHZOJOSA-N 0 0 179.219 2.284 10 30 in-vitro AEEERN O=CCCCc1ccc2c(c1)CCO2 83827490 491025330 /nfs/dbraw/zinc/02/53/30/491025330.db2.gz MKAFPGKPWSEAIM-UHFFFAOYSA-N 0 0 190.242 2.143 10 30 AEEERN CC#CCNc1cc(OC)ccc1F 87287163 491030218 /nfs/dbraw/zinc/03/02/18/491030218.db2.gz VASCCXWUYDCWOT-UHFFFAOYSA-N 0 0 193.221 2.270 10 30 AEEERN C=CCNc1cc(OC)ccc1F 87287118 491030331 /nfs/dbraw/zinc/03/03/31/491030331.db2.gz ADBOZXSBBUWXCS-UHFFFAOYSA-N 0 0 181.210 2.432 10 30 AEEERN C=CCCCN(C)C(=O)NC(C)(C)C 131010252 491034562 /nfs/dbraw/zinc/03/45/62/491034562.db2.gz VAJNQEKGCNNESV-UHFFFAOYSA-N 0 0 198.310 2.393 10 30 AEEERN N#CCc1c(Cl)cccc1C#N 203772556 491040409 /nfs/dbraw/zinc/04/04/09/491040409.db2.gz ZFXYSDDQNFIRBM-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN N#CC1(C#N)C=C1c1ccccc1 199892460 491040219 /nfs/dbraw/zinc/04/02/19/491040219.db2.gz DIQLQKWVGZBWOZ-UHFFFAOYSA-N 0 0 166.183 2.117 10 30 AEEERN C=C(C)Cn1nc(C)c(C)c1C 225957126 491042348 /nfs/dbraw/zinc/04/23/48/491042348.db2.gz WDASQYLZFBVPBR-UHFFFAOYSA-N 0 0 164.252 2.384 10 30 AEEERN C=C(C)CCOc1cnn(CC)c1 229098352 491045057 /nfs/dbraw/zinc/04/50/57/491045057.db2.gz WRAIVXKNPMWWFA-UHFFFAOYSA-N 0 0 180.251 2.248 10 30 AEEERN CCC(=O)c1cccc(C#N)c1OC 238245096 491045761 /nfs/dbraw/zinc/04/57/61/491045761.db2.gz OAAWNXNODGDPGC-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN C=CCCN(C)c1ccccc1CO 238338066 491045797 /nfs/dbraw/zinc/04/57/97/491045797.db2.gz HKLWAEXWORCNRP-UHFFFAOYSA-N 0 0 191.274 2.191 10 30 AEEERN C=C(C)CNC(=O)c1csc(C)c1 306187044 491046364 /nfs/dbraw/zinc/04/63/64/491046364.db2.gz NQMCSSZCJPUMJG-UHFFFAOYSA-N 0 0 195.287 2.362 10 30 AEEERN C=CCNc1cc(C(C)(C)C)ncn1 306187145 491046383 /nfs/dbraw/zinc/04/63/83/491046383.db2.gz AQAOYJNDHHDLIS-UHFFFAOYSA-N 0 0 191.278 2.372 10 30 AEEERN C=C(C)CN(C)c1c(C)noc1C 306264312 491047425 /nfs/dbraw/zinc/04/74/25/491047425.db2.gz ACLKYOVONQXWFC-UHFFFAOYSA-N 0 0 180.251 2.304 10 30 AEEERN C=C(C)CN(C)c1cc(C)ccn1 306304097 491048306 /nfs/dbraw/zinc/04/83/06/491048306.db2.gz HUYFRBOFDPVZEX-UHFFFAOYSA-N 0 0 176.263 2.402 10 30 AEEERN C=C(C)CNc1ccnc(C2CC2)n1 306397906 491050157 /nfs/dbraw/zinc/05/01/57/491050157.db2.gz JSMBUEDTFVSZFI-UHFFFAOYSA-N 0 0 189.262 2.342 10 30 AEEERN C=C(C)CN(C)c1cccc(C)n1 306428813 491050924 /nfs/dbraw/zinc/05/09/24/491050924.db2.gz AGMJSJSWEPNLMA-UHFFFAOYSA-N 0 0 176.263 2.402 10 30 AEEERN C=CCn1ccc(-c2nccs2)n1 306480979 491051890 /nfs/dbraw/zinc/05/18/90/491051890.db2.gz CLADEXQHSBCLCM-UHFFFAOYSA-N 0 0 191.259 2.193 10 30 AEEERN C=C(C)Cn1cc(C)nc1C 306480598 491051929 /nfs/dbraw/zinc/05/19/29/491051929.db2.gz FPKCFYRBQSFQAJ-UHFFFAOYSA-N 0 0 150.225 2.076 10 30 AEEERN C=C[C@@H](C)NC(=O)c1csc(C)c1 306491763 491052217 /nfs/dbraw/zinc/05/22/17/491052217.db2.gz WRTIZICIJABOBO-SSDOTTSWSA-N 0 0 195.287 2.361 10 30 AEEERN C=C(C)CN(C)c1ncncc1Cl 306545053 491052973 /nfs/dbraw/zinc/05/29/73/491052973.db2.gz DFIKKYRUESKCIM-UHFFFAOYSA-N 0 0 197.669 2.142 10 30 AEEERN C=C[C@H](C)Nc1ccnc(C2CC2)n1 306749996 491055216 /nfs/dbraw/zinc/05/52/16/491055216.db2.gz GFQOOXLPHVXWTP-QMMMGPOBSA-N 0 0 189.262 2.340 10 30 AEEERN C=C[C@@H](C)Nc1ccnc(C2CC2)n1 306749994 491055276 /nfs/dbraw/zinc/05/52/76/491055276.db2.gz GFQOOXLPHVXWTP-MRVPVSSYSA-N 0 0 189.262 2.340 10 30 AEEERN C=CC(=O)CCOCc1ccccc1 307343307 491060933 /nfs/dbraw/zinc/06/09/33/491060933.db2.gz IRHGRRXCKDSHSV-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN CC#CCCOc1ccc(C)nc1 307389917 491061399 /nfs/dbraw/zinc/06/13/99/491061399.db2.gz AGEPHYQCQUSJMO-UHFFFAOYSA-N 0 0 175.231 2.182 10 30 AEEERN C=CCN(C)c1ncc(Cl)s1 307416408 491061592 /nfs/dbraw/zinc/06/15/92/491061592.db2.gz JJAZOKLVEPGHCQ-UHFFFAOYSA-N 0 0 188.683 2.419 10 30 AEEERN C=CCCC(=O)Nc1csc(C)n1 307480311 491062612 /nfs/dbraw/zinc/06/26/12/491062612.db2.gz JYNRQQXOIIAMKG-UHFFFAOYSA-N 0 0 196.275 2.356 10 30 AEEERN C=CCN1CCc2c(F)cccc21 307575043 491064216 /nfs/dbraw/zinc/06/42/16/491064216.db2.gz IENVDXUVYIFXTE-UHFFFAOYSA-N 0 0 177.222 2.374 10 30 AEEERN C=CCNc1cc(CO)ccc1Cl 307658884 491066659 /nfs/dbraw/zinc/06/66/59/491066659.db2.gz DNFYWLOMKJOKKP-UHFFFAOYSA-N 0 0 197.665 2.430 10 30 AEEERN C=CCCSc1cccnn1 307668798 491066979 /nfs/dbraw/zinc/06/69/79/491066979.db2.gz LDCWVKSHDOOPGP-UHFFFAOYSA-N 0 0 166.249 2.145 10 30 AEEERN C=C(C)CCN(C)CC(F)F 307857659 491070813 /nfs/dbraw/zinc/07/08/13/491070813.db2.gz DCQDXEKQLIYTGL-UHFFFAOYSA-N 0 0 163.211 2.150 10 30 AEEERN C=CCCCNc1nc(C)ns1 307942234 491071857 /nfs/dbraw/zinc/07/18/57/491071857.db2.gz CZFXWBMYYOYILW-UHFFFAOYSA-N 0 0 183.280 2.225 10 30 AEEERN C=C[C@H](C)NC(=O)CC(C)(C)C 307942130 491071870 /nfs/dbraw/zinc/07/18/70/491071870.db2.gz DBHVKOAZVZRAAD-QMMMGPOBSA-N 0 0 169.268 2.113 10 30 AEEERN C=CC[C@@H](CC)NC(=O)CCC 307942577 491071893 /nfs/dbraw/zinc/07/18/93/491071893.db2.gz DGRCCWYKVFLIBO-SECBINFHSA-N 0 0 169.268 2.257 10 30 AEEERN C=C[C@@H](C)NC(=O)CC(C)(C)C 307942128 491071917 /nfs/dbraw/zinc/07/19/17/491071917.db2.gz DBHVKOAZVZRAAD-MRVPVSSYSA-N 0 0 169.268 2.113 10 30 AEEERN C=CC[C@H](CC)NC(=O)CCC 307942579 491071983 /nfs/dbraw/zinc/07/19/83/491071983.db2.gz DGRCCWYKVFLIBO-VIFPVBQESA-N 0 0 169.268 2.257 10 30 AEEERN C=CCCN(C)c1ccccn1 307947808 491072402 /nfs/dbraw/zinc/07/24/02/491072402.db2.gz AATWVRDQSRBMRB-UHFFFAOYSA-N 0 0 162.236 2.094 10 30 AEEERN C=CCCN(C)C(=O)C(C)(C)C 307957065 491072916 /nfs/dbraw/zinc/07/29/16/491072916.db2.gz GPKYVALGZBSZCO-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN C=CCCCNc1nnc(C)s1 307962690 491073324 /nfs/dbraw/zinc/07/33/24/491073324.db2.gz NIERFPTUTYILSE-UHFFFAOYSA-N 0 0 183.280 2.225 10 30 AEEERN C=C[C@@H](C)NC(=O)CCCCC 307965401 491073416 /nfs/dbraw/zinc/07/34/16/491073416.db2.gz BKHAMJVRMRNFGO-SECBINFHSA-N 0 0 169.268 2.257 10 30 AEEERN C=C[C@H](C)NC(=O)CCCCC 307965403 491073456 /nfs/dbraw/zinc/07/34/56/491073456.db2.gz BKHAMJVRMRNFGO-VIFPVBQESA-N 0 0 169.268 2.257 10 30 AEEERN C=CCN(C)C(=O)CCCCC 307969451 491073777 /nfs/dbraw/zinc/07/37/77/491073777.db2.gz FVPUFTUGWJWWBG-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NCCC 308019763 491076124 /nfs/dbraw/zinc/07/61/24/491076124.db2.gz TWDIPIXSGZEZJV-VIFPVBQESA-N 0 0 169.268 2.115 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NCCC 308019761 491076155 /nfs/dbraw/zinc/07/61/55/491076155.db2.gz TWDIPIXSGZEZJV-SECBINFHSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(CC)CSc1nccn1C 308026737 491076159 /nfs/dbraw/zinc/07/61/59/491076159.db2.gz HLADVSPBHPPEJW-UHFFFAOYSA-N 0 0 182.292 2.478 10 30 AEEERN C=CCCCNC(=O)CCCC 308005330 491075774 /nfs/dbraw/zinc/07/57/74/491075774.db2.gz CXWUKWYYQXCLPS-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN C=C(CC)CN(C)CC(F)(F)F 308004549 491075817 /nfs/dbraw/zinc/07/58/17/491075817.db2.gz CQRYGPNLSYCKJO-UHFFFAOYSA-N 0 0 181.201 2.447 10 30 AEEERN C=C(C)CCc1noc(CC)n1 308069628 491077430 /nfs/dbraw/zinc/07/74/30/491077430.db2.gz AOABSQVDMNPNAZ-UHFFFAOYSA-N 0 0 166.224 2.141 10 30 AEEERN C=CCCOc1cccnc1C 308073696 491077641 /nfs/dbraw/zinc/07/76/41/491077641.db2.gz BWYNICKAARVFJO-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN C=CCCCN1CCC(F)(F)C1 308077999 491077842 /nfs/dbraw/zinc/07/78/42/491077842.db2.gz GTZCCFKKECPJLQ-UHFFFAOYSA-N 0 0 175.222 2.294 10 30 AEEERN C=CCCCNC(=O)CCC=C 308103654 491078351 /nfs/dbraw/zinc/07/83/51/491078351.db2.gz GWSNLIPVPBIMTC-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCCNc1cc(C)ncn1 308127268 491078961 /nfs/dbraw/zinc/07/89/61/491078961.db2.gz BSAKSPMANMDPTN-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@H](C)CC(=C)C 308132381 491079163 /nfs/dbraw/zinc/07/91/63/491079163.db2.gz BTSBMCDQNZKOLZ-NXEZZACHSA-N 0 0 181.279 2.279 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H](C)CC(=C)C 308132382 491079170 /nfs/dbraw/zinc/07/91/70/491079170.db2.gz BTSBMCDQNZKOLZ-UWVGGRQHSA-N 0 0 181.279 2.279 10 30 AEEERN C=CCNC(=O)[C@@H](C)CC(C)(C)C 308131773 491079190 /nfs/dbraw/zinc/07/91/90/491079190.db2.gz BIXSTJYKGULDBF-VIFPVBQESA-N 0 0 183.295 2.361 10 30 AEEERN C=CCNC(=O)[C@H](C)CC(C)(C)C 308131772 491079222 /nfs/dbraw/zinc/07/92/22/491079222.db2.gz BIXSTJYKGULDBF-SECBINFHSA-N 0 0 183.295 2.361 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H](C)CC(=C)C 308132384 491079239 /nfs/dbraw/zinc/07/92/39/491079239.db2.gz BTSBMCDQNZKOLZ-ZJUUUORDSA-N 0 0 181.279 2.279 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@H](C)CC(=C)C 308132383 491079251 /nfs/dbraw/zinc/07/92/51/491079251.db2.gz BTSBMCDQNZKOLZ-VHSXEESVSA-N 0 0 181.279 2.279 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)C(C)(C)C 308133774 491079352 /nfs/dbraw/zinc/07/93/52/491079352.db2.gz CYJARIZIWIGMGI-SECBINFHSA-N 0 0 183.295 2.313 10 30 AEEERN C=CCN(C)C(=O)[C@H](C)C(C)(C)C 308133775 491079594 /nfs/dbraw/zinc/07/95/94/491079594.db2.gz CYJARIZIWIGMGI-VIFPVBQESA-N 0 0 183.295 2.313 10 30 AEEERN C=CC[C@@H](C)NC(=O)CCC(F)F 308136603 491079789 /nfs/dbraw/zinc/07/97/89/491079789.db2.gz FQVGPRKIAZPYNB-SSDOTTSWSA-N 0 0 191.221 2.113 10 30 AEEERN C=CCCN(C)C(=O)CCC(C)C 308136181 491079814 /nfs/dbraw/zinc/07/98/14/491079814.db2.gz FOTPTSLXADNSLL-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CC[C@H](C)NC(=O)CCC(F)F 308136605 491079896 /nfs/dbraw/zinc/07/98/96/491079896.db2.gz FQVGPRKIAZPYNB-ZETCQYMHSA-N 0 0 191.221 2.113 10 30 AEEERN C=CCCOc1cccc(C)n1 308139019 491079978 /nfs/dbraw/zinc/07/99/78/491079978.db2.gz FZHJVNZMDCMFEM-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@H](C)CC(C)C 308140905 491080158 /nfs/dbraw/zinc/08/01/58/491080158.db2.gz ILHUOJCCIPEOGM-NXEZZACHSA-N 0 0 183.295 2.359 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@H](C)CC(C)C 308140907 491080183 /nfs/dbraw/zinc/08/01/83/491080183.db2.gz ILHUOJCCIPEOGM-VHSXEESVSA-N 0 0 183.295 2.359 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H](C)CC(C)C 308140906 491080270 /nfs/dbraw/zinc/08/02/70/491080270.db2.gz ILHUOJCCIPEOGM-UWVGGRQHSA-N 0 0 183.295 2.359 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H](C)CC(C)C 308140908 491080280 /nfs/dbraw/zinc/08/02/80/491080280.db2.gz ILHUOJCCIPEOGM-ZJUUUORDSA-N 0 0 183.295 2.359 10 30 AEEERN C=CC[C@@H](C)NC(=O)C1CC(C)C1 308145319 491080665 /nfs/dbraw/zinc/08/06/65/491080665.db2.gz LJSDSJYACNJPTB-HWOCKDDLSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC[C@H](C)NC(=O)C1CC(C)C1 308145320 491080671 /nfs/dbraw/zinc/08/06/71/491080671.db2.gz LJSDSJYACNJPTB-KYHHOPLUSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NCCCF 308156823 491081625 /nfs/dbraw/zinc/08/16/25/491081625.db2.gz RYPMJHVKDOGPEE-SECBINFHSA-N 0 0 187.258 2.065 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NCCCF 308156824 491081631 /nfs/dbraw/zinc/08/16/31/491081631.db2.gz RYPMJHVKDOGPEE-VIFPVBQESA-N 0 0 187.258 2.065 10 30 AEEERN C=CCCCNc1ccnc(C)n1 308159093 491081753 /nfs/dbraw/zinc/08/17/53/491081753.db2.gz VSAAEXBLMBXAGK-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NCC(C)C 308170223 491082281 /nfs/dbraw/zinc/08/22/81/491082281.db2.gz ZIPKQYXVTZAPGC-SNVBAGLBSA-N 0 0 183.295 2.361 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NCC(C)C 308170222 491082311 /nfs/dbraw/zinc/08/23/11/491082311.db2.gz ZIPKQYXVTZAPGC-JTQLQIEISA-N 0 0 183.295 2.361 10 30 AEEERN C=CC[C@@H](CC)Nc1ncccn1 308170928 491082467 /nfs/dbraw/zinc/08/24/67/491082467.db2.gz BHEIHIOJTSMXAB-SECBINFHSA-N 0 0 177.251 2.243 10 30 AEEERN CC#CCCCC(=O)N(C)CCC 308169376 491082362 /nfs/dbraw/zinc/08/23/62/491082362.db2.gz ASVQCECWBHWZGZ-UHFFFAOYSA-N 0 0 181.279 2.048 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC1CCC1 308170228 491082363 /nfs/dbraw/zinc/08/23/63/491082363.db2.gz ZIWVYJFYVXAGIK-VIFPVBQESA-N 0 0 181.279 2.257 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NC1CCC1 308170227 491082394 /nfs/dbraw/zinc/08/23/94/491082394.db2.gz ZIWVYJFYVXAGIK-SECBINFHSA-N 0 0 181.279 2.257 10 30 AEEERN C=C(CC)C[N@H+](C)C1(COC)CC1 308168562 491082400 /nfs/dbraw/zinc/08/24/00/491082400.db2.gz BNWMLKNVLPMWTK-UHFFFAOYSA-N 0 0 183.295 2.063 10 30 AEEERN C=CC[C@H](CC)Nc1ncccn1 308170929 491082509 /nfs/dbraw/zinc/08/25/09/491082509.db2.gz BHEIHIOJTSMXAB-VIFPVBQESA-N 0 0 177.251 2.243 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(CC)CC 308175103 491082702 /nfs/dbraw/zinc/08/27/02/491082702.db2.gz CYMIYROBGSZKAI-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(CC)CC 308175102 491082709 /nfs/dbraw/zinc/08/27/09/491082709.db2.gz CYMIYROBGSZKAI-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN C=CCN(C)C(=O)C1(CCC)CC1 308174621 491082743 /nfs/dbraw/zinc/08/27/43/491082743.db2.gz CSTSGWBGGBDDNY-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCCNc1cccnn1 308175757 491082795 /nfs/dbraw/zinc/08/27/95/491082795.db2.gz AKWVRWWOQLUESJ-UHFFFAOYSA-N 0 0 177.251 2.245 10 30 AEEERN C=CCCOc1cccnc1OC 308180066 491082891 /nfs/dbraw/zinc/08/28/91/491082891.db2.gz FWJNWLMFYOAEOC-UHFFFAOYSA-N 0 0 179.219 2.045 10 30 AEEERN C=C(CC)C[NH2+][C@@H](C)c1cn[nH]c1 308188777 491083366 /nfs/dbraw/zinc/08/33/66/491083366.db2.gz LWERLLCMVNYNEX-VIFPVBQESA-N 0 0 179.267 2.027 10 30 AEEERN C=CCCCNC(=O)NC(C)(C)C 308189901 491083382 /nfs/dbraw/zinc/08/33/82/491083382.db2.gz MVNODCLUSNRZKE-UHFFFAOYSA-N 0 0 184.283 2.050 10 30 AEEERN C=C(CC)C[NH2+][C@H](C)c1cn[nH]c1 308188775 491083445 /nfs/dbraw/zinc/08/34/45/491083445.db2.gz LWERLLCMVNYNEX-SECBINFHSA-N 0 0 179.267 2.027 10 30 AEEERN C=CCCCNC(=O)NCCCC 308196921 491083630 /nfs/dbraw/zinc/08/36/30/491083630.db2.gz RSYDAIASNGQURU-UHFFFAOYSA-N 0 0 184.283 2.052 10 30 AEEERN C=CCN(C)C(=O)CCC(C)(C)C 308218834 491085127 /nfs/dbraw/zinc/08/51/27/491085127.db2.gz BIBCOVVJFQPNHT-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(C)CN(C)C(=O)CCC1CC1 308222320 491085552 /nfs/dbraw/zinc/08/55/52/491085552.db2.gz CYYJUMCWKIXYPH-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(C)CN(C)C(=O)CC1(C)CC1 308222325 491085674 /nfs/dbraw/zinc/08/56/74/491085674.db2.gz CZLNFVCBWVPFNZ-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCNC(=O)N(C)CCC 308225407 491085986 /nfs/dbraw/zinc/08/59/86/491085986.db2.gz MSDNWIRWETZANF-UHFFFAOYSA-N 0 0 184.283 2.004 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(C)C1CC1 308226138 491086052 /nfs/dbraw/zinc/08/60/52/491086052.db2.gz DTAROONUOSIKQC-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(C)C1CC1 308226137 491086076 /nfs/dbraw/zinc/08/60/76/491086076.db2.gz DTAROONUOSIKQC-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCN(C(=O)[C@@H](C)CC)C1CC1 308250698 491088556 /nfs/dbraw/zinc/08/85/56/491088556.db2.gz AYLKXMNTWORTRT-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=CCN(C(=O)[C@H](C)CC)C1CC1 308250696 491088619 /nfs/dbraw/zinc/08/86/19/491088619.db2.gz AYLKXMNTWORTRT-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CN(C)C(=O)C[C@H](C)CC 308252429 491088754 /nfs/dbraw/zinc/08/87/54/491088754.db2.gz BYQFRJCPQBXQGU-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)CC(=C)C 308252506 491088758 /nfs/dbraw/zinc/08/87/58/491088758.db2.gz ILXMOVCVXNUMMD-JTQLQIEISA-N 0 0 181.279 2.233 10 30 AEEERN C=C(C)CN(C)C(=O)C[C@@H](C)CC 308252428 491088830 /nfs/dbraw/zinc/08/88/30/491088830.db2.gz BYQFRJCPQBXQGU-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN C=CCN(C)C(=O)[C@H](C)CC(=C)C 308252507 491088839 /nfs/dbraw/zinc/08/88/39/491088839.db2.gz ILXMOVCVXNUMMD-SNVBAGLBSA-N 0 0 181.279 2.233 10 30 AEEERN C=CCN(Cc1cncs1)C1CC1 308254050 491089086 /nfs/dbraw/zinc/08/90/86/491089086.db2.gz HTCCPDLEXKLCIT-UHFFFAOYSA-N 0 0 194.303 2.294 10 30 AEEERN C=CCCCNC(=O)C1CCCC1 308256914 491089246 /nfs/dbraw/zinc/08/92/46/491089246.db2.gz KATFAMCDMFVDKC-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCN(C)C(=O)C1CC(C)C1 308258820 491089518 /nfs/dbraw/zinc/08/95/18/491089518.db2.gz MJILHEGOBHDPCX-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCCNC(=O)CC(C)(F)F 308260160 491089680 /nfs/dbraw/zinc/08/96/80/491089680.db2.gz NAGIXJDTHMPTGE-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN C=C(C)CN(C)C(=O)CCC(F)F 308268018 491090379 /nfs/dbraw/zinc/09/03/79/491090379.db2.gz QMYJATCSSXDRMR-UHFFFAOYSA-N 0 0 191.221 2.066 10 30 AEEERN C=C(C)CN(C)C(=O)C1CC(C)C1 308276050 491091213 /nfs/dbraw/zinc/09/12/13/491091213.db2.gz VBZQCKBHZQWYRG-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]1C 308288444 491093062 /nfs/dbraw/zinc/09/30/62/491093062.db2.gz FNVXKJKBFMOQST-WCABBAIRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCN(C)C(=O)CCC(F)F 308286826 491092830 /nfs/dbraw/zinc/09/28/30/491092830.db2.gz CIHVXAFGOLWZQU-UHFFFAOYSA-N 0 0 191.221 2.066 10 30 AEEERN C=CCCN(C)C(=O)C[C@H](C)CC 308290736 491093297 /nfs/dbraw/zinc/09/32/97/491093297.db2.gz GWHRYZAJHCNSMY-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCN(C)C(=O)C[C@@H](C)CC 308290735 491093560 /nfs/dbraw/zinc/09/35/60/491093560.db2.gz GWHRYZAJHCNSMY-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCC(=O)N1CC(C(C)C)C1 308321001 491096461 /nfs/dbraw/zinc/09/64/61/491096461.db2.gz BDSBVBNFERWDEC-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCNC(=O)NC(C)(CC)CC 308320124 491096482 /nfs/dbraw/zinc/09/64/82/491096482.db2.gz YBDVCKOGHCBFLT-UHFFFAOYSA-N 0 0 184.283 2.050 10 30 AEEERN C=CCCCNC(=O)C1=CCCC1 308326019 491097138 /nfs/dbraw/zinc/09/71/38/491097138.db2.gz FXUXYYUETUOLRO-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN C=CCCN(C)C(=O)CC(C)(C)C 308326894 491097326 /nfs/dbraw/zinc/09/73/26/491097326.db2.gz GAZOBUVRTVSLFM-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCN(C)C(=O)[C@H]1CC1(C)C 308326784 491097418 /nfs/dbraw/zinc/09/74/18/491097418.db2.gz FYBTWSZMEHCDMA-SECBINFHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCCNC(=O)CC1CCC1 308328503 491097573 /nfs/dbraw/zinc/09/75/73/491097573.db2.gz IRGAUITWGUDLDB-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCC(=O)NCC1(C)CCC1 308347447 491098207 /nfs/dbraw/zinc/09/82/07/491098207.db2.gz WHDXEMHHJPRLAG-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(C)CCC 308355154 491098353 /nfs/dbraw/zinc/09/83/53/491098353.db2.gz KLODMDXGDICYQU-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(C)CCC 308355146 491098415 /nfs/dbraw/zinc/09/84/15/491098415.db2.gz KLODMDXGDICYQU-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCOc1cc(C)n(C)n1 308376348 491099584 /nfs/dbraw/zinc/09/95/84/491099584.db2.gz NVWYOQJKLGMIQL-UHFFFAOYSA-N 0 0 180.251 2.074 10 30 AEEERN C=CCCC(=O)NC1(CC)CCC1 308382682 491100068 /nfs/dbraw/zinc/10/00/68/491100068.db2.gz VGYNPLZBQKUTMU-UHFFFAOYSA-N 0 0 181.279 2.402 10 30 AEEERN C=CCN(C)C(=O)c1csc(C)c1 308392145 491100739 /nfs/dbraw/zinc/10/07/39/491100739.db2.gz BOEXXBSPZGCOTA-UHFFFAOYSA-N 0 0 195.287 2.315 10 30 AEEERN C=CCCCN(C)C(=O)C1=CCC1 308396909 491100910 /nfs/dbraw/zinc/10/09/10/491100910.db2.gz DUPNWKNUSPRFKW-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=CCCN(C)c1ncccc1F 308400290 491101406 /nfs/dbraw/zinc/10/14/06/491101406.db2.gz GSKHOYVVMZETME-UHFFFAOYSA-N 0 0 180.226 2.233 10 30 AEEERN C=CCCCNC(=O)CCC(F)F 308419447 491102726 /nfs/dbraw/zinc/10/27/26/491102726.db2.gz SCFNNEPTNVWKLP-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN C=CCCCNC(=O)CC(F)(F)F 308425268 491103091 /nfs/dbraw/zinc/10/30/91/491103091.db2.gz WDJCNCNURGPOLP-UHFFFAOYSA-N 0 0 195.184 2.021 10 30 AEEERN C=CCCN(C)C(=O)C(CC)CC 308444502 491104373 /nfs/dbraw/zinc/10/43/73/491104373.db2.gz ASKBSSHMFJIYSO-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCN(C)C(=O)C1(C)CC1 308442885 491104537 /nfs/dbraw/zinc/10/45/37/491104537.db2.gz ZPUKQJKOMXONNP-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCNC(=O)C1(CC)CC1 308478779 491106510 /nfs/dbraw/zinc/10/65/10/491106510.db2.gz MRQIQSIXWRZVLG-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCCNc1nc(C)cnc1C 308512135 491109485 /nfs/dbraw/zinc/10/94/85/491109485.db2.gz CPKSVAGBTGFRID-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=CC[N@H+](C)CCc1ncc(C)s1 308484933 491106730 /nfs/dbraw/zinc/10/67/30/491106730.db2.gz ORUFBFCXEGGJQZ-UHFFFAOYSA-N 0 0 196.319 2.112 10 30 AEEERN C=CCCCNc1cc(C)nc(C)n1 308537917 491110792 /nfs/dbraw/zinc/11/07/92/491110792.db2.gz LUDWBQJZTFHUPD-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN C=CCCCNc1nc(C)cc(C)n1 308596493 491113606 /nfs/dbraw/zinc/11/36/06/491113606.db2.gz SCNXJMSSBPXEBF-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN CCN(CC)OC(=O)c1cccs1 584646452 491119988 /nfs/dbraw/zinc/11/99/88/491119988.db2.gz GIMZZAGJCQTNGG-UHFFFAOYSA-N 0 0 199.275 2.162 10 30 AEEERN N#Cc1cc2c(c3cc[nH]c13)NCC2 584646522 491120000 /nfs/dbraw/zinc/12/00/00/491120000.db2.gz WCBPFGWCBTZLKP-UHFFFAOYSA-N 0 0 183.214 2.008 10 30 AEEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CC12CC2 335160268 491119216 /nfs/dbraw/zinc/11/92/16/491119216.db2.gz VUDUQQZQLIDWME-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN CCC[C@@H](C)[C@H]1CCCN1CC#N 379370202 491119335 /nfs/dbraw/zinc/11/93/35/491119335.db2.gz GAOFKNQCLQHKOG-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C=C/C=C\CC(=O)NC(C)(C)C=C 1637101189 1188748001 /nfs/dbraw/zinc/74/80/01/1188748001.db2.gz JNXCMAMVUNDRGZ-FPLPWBNLSA-N 0 0 179.263 2.200 10 30 AEEERN C=C/C=C/CC(=O)NC(C)(C)C=C 1637101145 1188748032 /nfs/dbraw/zinc/74/80/32/1188748032.db2.gz JNXCMAMVUNDRGZ-BQYQJAHWSA-N 0 0 179.263 2.200 10 30 AEEERN C=CCN(C(=O)C#CC)c1ccccc1 1637065396 1188748084 /nfs/dbraw/zinc/74/80/84/1188748084.db2.gz YKMDBFBYRROQCX-UHFFFAOYSA-N 0 0 199.253 2.229 10 30 AEEERN C=C/C=C/CC(=O)NCC(C)(C)C=C 1640616884 1188748246 /nfs/dbraw/zinc/74/82/46/1188748246.db2.gz KIXTUYVICZXNBB-BQYQJAHWSA-N 0 0 193.290 2.447 10 30 AEEERN C=C/C=C\CC(=O)NCC(C)(C)C=C 1640616885 1188748635 /nfs/dbraw/zinc/74/86/35/1188748635.db2.gz KIXTUYVICZXNBB-FPLPWBNLSA-N 0 0 193.290 2.447 10 30 AEEERN CC#CC(=O)Nc1csc(C)c1 1641608620 1188748825 /nfs/dbraw/zinc/74/88/25/1188748825.db2.gz CLPKVGITFJIDQB-UHFFFAOYSA-N 0 0 179.244 2.018 10 30 AEEERN C#CC[N@H+](CC#CC)CCCC1CC1 1657419701 1188749417 /nfs/dbraw/zinc/74/94/17/1188749417.db2.gz NZEJCTGZEXJKLY-UHFFFAOYSA-N 0 0 189.302 2.135 10 30 AEEERN CC(C)OCc1ccc(C#N)cc1 19508152 1188766990 /nfs/dbraw/zinc/76/69/90/1188766990.db2.gz CYQBCIOVXWBFEK-UHFFFAOYSA-N 0 0 175.231 2.483 10 30 AEEERN C[C@H](OCC#N)c1ccccc1 19481864 1188767008 /nfs/dbraw/zinc/76/70/08/1188767008.db2.gz BDURQTDKQSSFPH-VIFPVBQESA-N 0 0 161.204 2.288 10 30 AEEERN CC(C)C[C@H](C)OCCC#N 19475408 1188767091 /nfs/dbraw/zinc/76/70/91/1188767091.db2.gz LRPRAQXEFNWXGB-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CC(C)C[C@@H](C)OCCC#N 19475406 1188767125 /nfs/dbraw/zinc/76/71/25/1188767125.db2.gz LRPRAQXEFNWXGB-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN C#CCNc1ccc(OCC)cc1 48937233 1188767857 /nfs/dbraw/zinc/76/78/57/1188767857.db2.gz CCHYHRUIPYSCMP-UHFFFAOYSA-N 0 0 175.231 2.130 10 30 AEEERN CC(C)OCCOCCCCC#N 49579536 1188767861 /nfs/dbraw/zinc/76/78/61/1188767861.db2.gz WHKJQOQNDDBBTG-UHFFFAOYSA-N 0 0 185.267 2.122 10 30 AEEERN C#CCNc1ccc2c(c1)CCC2 49137259 1188768033 /nfs/dbraw/zinc/76/80/33/1188768033.db2.gz FFMHBXXRKSIREP-UHFFFAOYSA-N 0 0 171.243 2.220 10 30 AEEERN CC[C@@H](C)OCCCCC#N 49579585 1188768226 /nfs/dbraw/zinc/76/82/26/1188768226.db2.gz DCXXBUCJBIHOIN-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN CC[C@H](C)OCCCCC#N 49579586 1188768650 /nfs/dbraw/zinc/76/86/50/1188768650.db2.gz DCXXBUCJBIHOIN-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN N#CCCc1nnc(-c2ccccc2)o1 57490517 1188770669 /nfs/dbraw/zinc/77/06/69/1188770669.db2.gz GPWAVKUWACYJIQ-UHFFFAOYSA-N 0 0 199.213 2.193 10 30 AEEERN Cc1ccc(-c2cncnc2C#N)cc1 59071154 1188771884 /nfs/dbraw/zinc/77/18/84/1188771884.db2.gz FPHQEBZFACGIAJ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN SCCCNc1ccccc1 59521065 1188772146 /nfs/dbraw/zinc/77/21/46/1188772146.db2.gz RNOXLZCBOVHKKL-UHFFFAOYSA-N 0 0 167.277 2.418 10 30 AEEERN CC[C@@H](C)OCc1cccnc1C#N 61664918 1188772957 /nfs/dbraw/zinc/77/29/57/1188772957.db2.gz IDMKAGXONCFDHW-SECBINFHSA-N 0 0 190.246 2.268 10 30 AEEERN C=CCOC(=O)Nc1ccccc1O 75581143 1188774572 /nfs/dbraw/zinc/77/45/72/1188774572.db2.gz YVWFKUYLZMRCEG-UHFFFAOYSA-N 0 0 193.202 2.127 10 30 AEEERN N#Cc1cnccc1-c1cccnc1 74302535 1188774886 /nfs/dbraw/zinc/77/48/86/1188774886.db2.gz GYKFPUSAVVXRFZ-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN CC[C@H](C)OCc1ccnc(C#N)c1 82668866 1188776909 /nfs/dbraw/zinc/77/69/09/1188776909.db2.gz YSKQVOOXEXOMPO-VIFPVBQESA-N 0 0 190.246 2.268 10 30 AEEERN N#Cc1ccc(-c2cccc(N)n2)cc1 82730017 1188777017 /nfs/dbraw/zinc/77/70/17/1188777017.db2.gz SORDJCDVIYNGEK-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cc(COC2CCC2)ccn1 82668867 1188777050 /nfs/dbraw/zinc/77/70/50/1188777050.db2.gz TZAAQRDQKSWXGJ-UHFFFAOYSA-N 0 0 188.230 2.022 10 30 AEEERN N#Cc1ccc(-c2cccnc2N)cc1 82729962 1188777132 /nfs/dbraw/zinc/77/71/32/1188777132.db2.gz FQOAISJAIKROGB-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1ccc(-c2ccnc(N)c2)cc1 82729982 1188777144 /nfs/dbraw/zinc/77/71/44/1188777144.db2.gz HJBZLHWRXBNZHX-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CC[C@@H](C)OCc1ccnc(C#N)c1 82668865 1188777202 /nfs/dbraw/zinc/77/72/02/1188777202.db2.gz YSKQVOOXEXOMPO-SECBINFHSA-N 0 0 190.246 2.268 10 30 AEEERN C=C(C)c1ccc(S(C)(=O)=O)cc1 82762085 1188777205 /nfs/dbraw/zinc/77/72/05/1188777205.db2.gz UHPXMAOXEIQTRG-UHFFFAOYSA-N 0 0 196.271 2.123 10 30 AEEERN C=C(C)CC(C)(C)OC 82762000 1188777206 /nfs/dbraw/zinc/77/72/06/1188777206.db2.gz VCMSWNMHVNUVME-UHFFFAOYSA-N 0 0 128.215 2.378 10 30 AEEERN N#Cc1cccc(-c2ccnc(N)c2)c1 82729986 1188777216 /nfs/dbraw/zinc/77/72/16/1188777216.db2.gz WFYJVMMIBVCKOP-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN CC#CCCOc1ccc(C=O)cc1 157745260 1188779317 /nfs/dbraw/zinc/77/93/17/1188779317.db2.gz BRSGTYUCAKPYRH-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C=CCO[C@H](C)CC=C 167917169 1188781666 /nfs/dbraw/zinc/78/16/66/1188781666.db2.gz IRMMNVKRVCSHKN-MRVPVSSYSA-N 0 0 126.199 2.154 10 30 AEEERN N#CCOC(=O)c1ccccc1Cl 196237261 1188782786 /nfs/dbraw/zinc/78/27/86/1188782786.db2.gz BTIKAYQQHMHGLI-UHFFFAOYSA-N 0 0 195.605 2.020 10 30 AEEERN CCCCCCCOC(=O)NC 196220393 1188782880 /nfs/dbraw/zinc/78/28/80/1188782880.db2.gz BRSBVHXEXPGSCZ-UHFFFAOYSA-N 0 0 173.256 2.313 10 30 AEEERN CCc1ccc(C#N)c(C)c1 201741969 1188784752 /nfs/dbraw/zinc/78/47/52/1188784752.db2.gz WCXUKRXYGHKROW-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN CCC(=O)Nc1sc(C)cc1C#N 215961913 1188786308 /nfs/dbraw/zinc/78/63/08/1188786308.db2.gz RKWOSVGCOFURKI-UHFFFAOYSA-N 0 0 194.259 2.277 10 30 AEEERN Cn1ccc(Nc2cccc(C#N)c2)n1 227623245 1188788540 /nfs/dbraw/zinc/78/85/40/1188788540.db2.gz JLIHDSPYRRQECW-UHFFFAOYSA-N 0 0 198.229 2.035 10 30 AEEERN CC[C@H](C#N)N[C@H](C)CCSC 228919555 1188789737 /nfs/dbraw/zinc/78/97/37/1188789737.db2.gz ZHVQKKVAHWNVFQ-RKDXNWHRSA-N 0 0 186.324 2.020 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)CCSC 228919544 1188789769 /nfs/dbraw/zinc/78/97/69/1188789769.db2.gz ZHVQKKVAHWNVFQ-IUCAKERBSA-N 0 0 186.324 2.020 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)CCSC 228919538 1188789807 /nfs/dbraw/zinc/78/98/07/1188789807.db2.gz ZHVQKKVAHWNVFQ-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)CCSC 228919568 1188789923 /nfs/dbraw/zinc/78/99/23/1188789923.db2.gz ZHVQKKVAHWNVFQ-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN C=CCNC(=O)Oc1ccc(C)cc1 238462087 1188793579 /nfs/dbraw/zinc/79/35/79/1188793579.db2.gz UDIIDOOQLLPSAD-UHFFFAOYSA-N 0 0 191.230 2.269 10 30 AEEERN C=CCNC(=O)N1[C@@H](C)CCC[C@@H]1C 243333159 1188793764 /nfs/dbraw/zinc/79/37/64/1188793764.db2.gz LQAGBKREVIMOST-UWVGGRQHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCOC(=O)N(C)CCCC 243320067 1188793835 /nfs/dbraw/zinc/79/38/35/1188793835.db2.gz LMTXMLDZNMWIPS-UHFFFAOYSA-N 0 0 171.240 2.041 10 30 AEEERN C=CCNC(=O)Oc1ccc(F)cc1 244529072 1188793912 /nfs/dbraw/zinc/79/39/12/1188793912.db2.gz ZRYZOBRSOUOYEC-UHFFFAOYSA-N 0 0 195.193 2.100 10 30 AEEERN C=CCOC(=O)Nc1cc(C)ccn1 243057568 1188793969 /nfs/dbraw/zinc/79/39/69/1188793969.db2.gz IIMNPMOBDGOTCR-UHFFFAOYSA-N 0 0 192.218 2.125 10 30 AEEERN C=CCOC(=O)Nc1cccc(C)n1 244143189 1188793997 /nfs/dbraw/zinc/79/39/97/1188793997.db2.gz UQNVFAUIQFNVTO-UHFFFAOYSA-N 0 0 192.218 2.125 10 30 AEEERN C=CCOC(=O)N1CCC[C@@H](C)C1 242908609 1188794150 /nfs/dbraw/zinc/79/41/50/1188794150.db2.gz GRWIANMDYUEQRV-SECBINFHSA-N 0 0 183.251 2.041 10 30 AEEERN C=CCOC(=O)Nc1ncccc1C 243808601 1188794268 /nfs/dbraw/zinc/79/42/68/1188794268.db2.gz QPCNSKODYPVNPS-UHFFFAOYSA-N 0 0 192.218 2.125 10 30 AEEERN C=CCOC(=O)N1CCC[C@H](C)C1 242908610 1188794341 /nfs/dbraw/zinc/79/43/41/1188794341.db2.gz GRWIANMDYUEQRV-VIFPVBQESA-N 0 0 183.251 2.041 10 30 AEEERN C=CCNC(=O)N(CCC)CCCC 244377845 1188794424 /nfs/dbraw/zinc/79/44/24/1188794424.db2.gz YCRFAEQPBRSSQU-UHFFFAOYSA-N 0 0 198.310 2.394 10 30 AEEERN C=CCOC(=O)N1C[C@@H](C)C[C@@H](C)C1 244259593 1188794442 /nfs/dbraw/zinc/79/44/42/1188794442.db2.gz WLVFLANEIYFKBY-AOOOYVTPSA-N 0 0 197.278 2.287 10 30 AEEERN C=CCOC(=O)N(CCC)CCC 243251472 1188794446 /nfs/dbraw/zinc/79/44/46/1188794446.db2.gz KPXPGNFPOKGKLB-UHFFFAOYSA-N 0 0 185.267 2.431 10 30 AEEERN C=C(C)C(=O)N1[C@@H](C)CCC[C@H]1C 243212103 1188794459 /nfs/dbraw/zinc/79/44/59/1188794459.db2.gz KGANZFUWSDGBET-AOOOYVTPSA-N 0 0 181.279 2.352 10 30 AEEERN C=CCOC(=O)N1C[C@@H](C)C[C@H](C)C1 244259595 1188794473 /nfs/dbraw/zinc/79/44/73/1188794473.db2.gz WLVFLANEIYFKBY-UWVGGRQHSA-N 0 0 197.278 2.287 10 30 AEEERN C=CCOC(=O)N1C[C@H](C)C[C@@H](C)C1 244259594 1188794479 /nfs/dbraw/zinc/79/44/79/1188794479.db2.gz WLVFLANEIYFKBY-NXEZZACHSA-N 0 0 197.278 2.287 10 30 AEEERN C=CCOC(=O)N1CCC(C)CC1 243055763 1188794505 /nfs/dbraw/zinc/79/45/05/1188794505.db2.gz IHNFBTZQPWJJLB-UHFFFAOYSA-N 0 0 183.251 2.041 10 30 AEEERN C=CCNC(=O)N1[C@H](C)CCC[C@H]1C 243333158 1188794528 /nfs/dbraw/zinc/79/45/28/1188794528.db2.gz LQAGBKREVIMOST-NXEZZACHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCNC(=O)N1[C@@H](C)CCC[C@H]1C 243333157 1188794534 /nfs/dbraw/zinc/79/45/34/1188794534.db2.gz LQAGBKREVIMOST-AOOOYVTPSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(C)C(=O)N1[C@H](C)CCC[C@H]1C 243212104 1188794577 /nfs/dbraw/zinc/79/45/77/1188794577.db2.gz KGANZFUWSDGBET-NXEZZACHSA-N 0 0 181.279 2.352 10 30 AEEERN C=C(C)C(=O)N1[C@@H](C)CCC[C@@H]1C 243212105 1188794579 /nfs/dbraw/zinc/79/45/79/1188794579.db2.gz KGANZFUWSDGBET-UWVGGRQHSA-N 0 0 181.279 2.352 10 30 AEEERN C[C@@H](C#N)N(C)C[C@@H]1CC=CCC1 306239909 1188796859 /nfs/dbraw/zinc/79/68/59/1188796859.db2.gz QSYSYHGWZNMEFX-WDEREUQCSA-N 0 0 178.279 2.187 10 30 AEEERN C[C@@H](C#N)N(C)C[C@H]1CC=CCC1 306239908 1188796955 /nfs/dbraw/zinc/79/69/55/1188796955.db2.gz QSYSYHGWZNMEFX-QWRGUYRKSA-N 0 0 178.279 2.187 10 30 AEEERN C[C@H](C#N)N(C)C[C@H]1CC=CCC1 306239907 1188797120 /nfs/dbraw/zinc/79/71/20/1188797120.db2.gz QSYSYHGWZNMEFX-MNOVXSKESA-N 0 0 178.279 2.187 10 30 AEEERN Cc1cc(C#N)cc(CCC#N)c1 306617410 1188800066 /nfs/dbraw/zinc/80/00/66/1188800066.db2.gz QQIMKCBMHOUZHX-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN C#CCc1ccc(C(F)(F)F)nc1 306725692 1188800935 /nfs/dbraw/zinc/80/09/35/1188800935.db2.gz YARZIIFSNOSEHU-UHFFFAOYSA-N 0 0 185.148 2.276 10 30 AEEERN Cc1ccc(O)cc1CCC#N 306826249 1188802513 /nfs/dbraw/zinc/80/25/13/1188802513.db2.gz ZRNXUCGDMCKTAJ-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN Cc1ccc(C#N)c(CCC#N)c1 306973255 1188803913 /nfs/dbraw/zinc/80/39/13/1188803913.db2.gz LKPPYBPXDUTAFP-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN Cc1ccc(CCC#N)c(C#N)c1 307002187 1188804012 /nfs/dbraw/zinc/80/40/12/1188804012.db2.gz IKHNJXXWCFBTPO-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN C#C[C@H](C)Oc1ccc(C#N)cc1C 307074658 1188805286 /nfs/dbraw/zinc/80/52/86/1188805286.db2.gz DUZDCGCPYJLYKH-JTQLQIEISA-N 0 0 185.226 2.267 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C#N)cc1C 307074667 1188805301 /nfs/dbraw/zinc/80/53/01/1188805301.db2.gz DUZDCGCPYJLYKH-SNVBAGLBSA-N 0 0 185.226 2.267 10 30 AEEERN N#CCCc1cccc(C#N)c1F 307314654 1188807476 /nfs/dbraw/zinc/80/74/76/1188807476.db2.gz VLSLOOUPBPYATA-UHFFFAOYSA-N 0 0 174.178 2.154 10 30 AEEERN CC(C)CNN=CC(C)(C)C 307891665 1188809865 /nfs/dbraw/zinc/80/98/65/1188809865.db2.gz FRRMDXKBBSUJBE-UHFFFAOYSA-N 0 0 156.273 2.264 10 30 AEEERN C=CCCCCNc1nc(C)no1 308165112 1188810869 /nfs/dbraw/zinc/81/08/69/1188810869.db2.gz YXGSKMDAQGTXJQ-UHFFFAOYSA-N 0 0 181.239 2.146 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 308333957 1188811656 /nfs/dbraw/zinc/81/16/56/1188811656.db2.gz MSMYZGQYPXDYMC-SFGNSQDASA-N 0 0 180.247 2.150 10 30 AEEERN C=C(C)CCOC(=O)/C=C\C1CC1 308333961 1188811660 /nfs/dbraw/zinc/81/16/60/1188811660.db2.gz MSQKMURUXUZJOO-WAYWQWQTSA-N 0 0 180.247 2.462 10 30 AEEERN C=C(C)CCOC(=O)/C=C/C1CC1 308333960 1188811707 /nfs/dbraw/zinc/81/17/07/1188811707.db2.gz MSQKMURUXUZJOO-AATRIKPKSA-N 0 0 180.247 2.462 10 30 AEEERN COC(C)(C)CC=NNCC(C)C 308423220 1188812131 /nfs/dbraw/zinc/81/21/31/1188812131.db2.gz PLYWABOWNAGULI-UHFFFAOYSA-N 0 0 186.299 2.033 10 30 AEEERN COC[C@@H](C)C=NOC(C)(C)C 379336159 1188816405 /nfs/dbraw/zinc/81/64/05/1188816405.db2.gz ZQXUZADNQGSXKC-QMMMGPOBSA-N 0 0 173.256 2.070 10 30 AEEERN CCCC(CCC)N(C)CC#N 379333084 1188816493 /nfs/dbraw/zinc/81/64/93/1188816493.db2.gz KYSYOBUGTAHIDX-UHFFFAOYSA-N 0 0 168.284 2.411 10 30 AEEERN COC[C@H](C)C=NOC(C)(C)C 379336158 1188816618 /nfs/dbraw/zinc/81/66/18/1188816618.db2.gz ZQXUZADNQGSXKC-MRVPVSSYSA-N 0 0 173.256 2.070 10 30 AEEERN C=CCCCNc1ccc(C)cn1 379356653 1188816960 /nfs/dbraw/zinc/81/69/60/1188816960.db2.gz OWHNHKQGJHEFQC-UHFFFAOYSA-N 0 0 176.263 2.190 10 30 AEEERN C=CCCCNc1ncccc1N 379355748 1188817112 /nfs/dbraw/zinc/81/71/12/1188817112.db2.gz LZUPQBOWAHGSHP-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN C=C(C)C[N@@H+](CC)Cc1cnoc1 379355734 1188817118 /nfs/dbraw/zinc/81/71/18/1188817118.db2.gz LXKCLHMSNVLYAS-UHFFFAOYSA-N 0 0 180.251 2.073 10 30 AEEERN CC[C@H](CC#N)N[C@H](C)C(F)(F)F 379394804 1188817926 /nfs/dbraw/zinc/81/79/26/1188817926.db2.gz YELOKRAKVHMYBS-RNFRBKRXSA-N 0 0 194.200 2.219 10 30 AEEERN CC[C@@H](CC#N)N[C@H](C)C(F)(F)F 379394805 1188817939 /nfs/dbraw/zinc/81/79/39/1188817939.db2.gz YELOKRAKVHMYBS-RQJHMYQMSA-N 0 0 194.200 2.219 10 30 AEEERN C=C(C)CNN=C(C)c1cncs1 379393965 1188817997 /nfs/dbraw/zinc/81/79/97/1188817997.db2.gz WCJPAVHRJJSAJD-UHFFFAOYSA-N 0 0 195.291 2.033 10 30 AEEERN C=CCSCC1CCC(O)CC1 388392639 1188820064 /nfs/dbraw/zinc/82/00/64/1188820064.db2.gz DHULBJMQNBMVMX-UHFFFAOYSA-N 0 0 186.320 2.457 10 30 AEEERN COCCCC1=CC(=O)C[C@@H](C)C1 393721917 1188822396 /nfs/dbraw/zinc/82/23/96/1188822396.db2.gz DZYGYCCYJVCHRP-VIFPVBQESA-N 0 0 182.263 2.338 10 30 AEEERN COCCCC1=CC(=O)C[C@H](C)C1 393721916 1188822529 /nfs/dbraw/zinc/82/25/29/1188822529.db2.gz DZYGYCCYJVCHRP-SECBINFHSA-N 0 0 182.263 2.338 10 30 AEEERN C=CCCc1nnc(C2CCC2)o1 393721304 1188822561 /nfs/dbraw/zinc/82/25/61/1188822561.db2.gz BOCQUMKMZPJXPT-UHFFFAOYSA-N 0 0 178.235 2.456 10 30 AEEERN C=C(C)Cc1cncs1 606243074 1188823692 /nfs/dbraw/zinc/82/36/92/1188823692.db2.gz WVZPPACBVWJGRL-UHFFFAOYSA-N 0 0 139.223 2.262 10 30 AEEERN C=C(C)Cc1ccoc1 606242152 1188823764 /nfs/dbraw/zinc/82/37/64/1188823764.db2.gz OADTYJPZLVETRZ-UHFFFAOYSA-N 0 0 122.167 2.398 10 30 AEEERN C=C(C)Cc1cncc(F)c1 606244437 1188823838 /nfs/dbraw/zinc/82/38/38/1188823838.db2.gz UVGODOOMEAHEQU-UHFFFAOYSA-N 0 0 151.184 2.339 10 30 AEEERN C=C(C)Cc1ccncc1F 606244406 1188823945 /nfs/dbraw/zinc/82/39/45/1188823945.db2.gz OIGKSOZLDMIDMC-UHFFFAOYSA-N 0 0 151.184 2.339 10 30 AEEERN C=CCc1cnc(C)s1 606243060 1188823988 /nfs/dbraw/zinc/82/39/88/1188823988.db2.gz VMGZGKKHTOFMMP-UHFFFAOYSA-N 0 0 139.223 2.180 10 30 AEEERN C=C(C)C[C@@H]1CCCO1 606242201 1188824030 /nfs/dbraw/zinc/82/40/30/1188824030.db2.gz MGVKGZOIVOHCBX-QMMMGPOBSA-N 0 0 126.199 2.132 10 30 AEEERN C=C(C)C[C@H]1CCCO1 606242191 1188824063 /nfs/dbraw/zinc/82/40/63/1188824063.db2.gz MGVKGZOIVOHCBX-MRVPVSSYSA-N 0 0 126.199 2.132 10 30 AEEERN C=C(C)CC1CCOCC1 606243344 1188824130 /nfs/dbraw/zinc/82/41/30/1188824130.db2.gz KUAHQGHJCOGNDN-UHFFFAOYSA-N 0 0 140.226 2.379 10 30 AEEERN C=C(C)CCNc1ncnc(F)c1C 696338814 1188824592 /nfs/dbraw/zinc/82/45/92/1188824592.db2.gz ZJIFQPJMECQRAL-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN CN(CC#N)CC1CCC2(CC1)CC2 696207182 1188824694 /nfs/dbraw/zinc/82/46/94/1188824694.db2.gz FPQCJVSXGCQYTM-UHFFFAOYSA-N 0 0 192.306 2.412 10 30 AEEERN C=C(CC)CNc1ncnc(F)c1C 696345027 1188824831 /nfs/dbraw/zinc/82/48/31/1188824831.db2.gz DMHXRGMCUKXWPC-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN C#CCCCC(=O)OCC1CC=CC1 759599227 1188825361 /nfs/dbraw/zinc/82/53/61/1188825361.db2.gz GBFJMUTUDCBBHX-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN C#C[C@H](OC(=O)CC1(C)CC1)C1CC1 759612119 1188825378 /nfs/dbraw/zinc/82/53/78/1188825378.db2.gz DSSPIHRRBNDKEO-JTQLQIEISA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](OC(=O)CC1(C)CC1)C1CC1 759612121 1188825388 /nfs/dbraw/zinc/82/53/88/1188825388.db2.gz DSSPIHRRBNDKEO-SNVBAGLBSA-N 0 0 192.258 2.132 10 30 AEEERN C=C(C)CNc1nc(C)ncc1C 1155655263 1188829077 /nfs/dbraw/zinc/82/90/77/1188829077.db2.gz ZBJWDPRIUQPPQY-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C=C(C)CNc1nccc(C(F)F)n1 1155660391 1188829093 /nfs/dbraw/zinc/82/90/93/1188829093.db2.gz GKJJSSAPIDEAPI-UHFFFAOYSA-N 0 0 199.204 2.402 10 30 AEEERN C=C(C)CNc1cc(C)c(C#N)cn1 1155654970 1188829156 /nfs/dbraw/zinc/82/91/56/1188829156.db2.gz ITOGSAUWOUXJGL-UHFFFAOYSA-N 0 0 187.246 2.250 10 30 AEEERN C=C(C)CNc1ncc(CC)cn1 1155655742 1188829262 /nfs/dbraw/zinc/82/92/62/1188829262.db2.gz RSLRIYVJUOXRRQ-UHFFFAOYSA-N 0 0 177.251 2.027 10 30 AEEERN C#C[C@@H](CCC)OCCCCC#N 1205664052 1188831123 /nfs/dbraw/zinc/83/11/23/1188831123.db2.gz NDCVCEXYQUKKDV-NSHDSACASA-N 0 0 179.263 2.499 10 30 AEEERN C#C[C@H](CC)OCCCCC#N 1205663414 1188831200 /nfs/dbraw/zinc/83/12/00/1188831200.db2.gz IHLAMXITDQRSMP-SNVBAGLBSA-N 0 0 165.236 2.109 10 30 AEEERN C#C[C@H](CCC)OCCCCC#N 1205664050 1188831298 /nfs/dbraw/zinc/83/12/98/1188831298.db2.gz NDCVCEXYQUKKDV-LLVKDONJSA-N 0 0 179.263 2.499 10 30 AEEERN C#C[C@@H](CC)OCCCCC#N 1205663413 1188831377 /nfs/dbraw/zinc/83/13/77/1188831377.db2.gz IHLAMXITDQRSMP-JTQLQIEISA-N 0 0 165.236 2.109 10 30 AEEERN C=C(CC)C(=O)N1CCC=C(C)C1 1263817872 1188834662 /nfs/dbraw/zinc/83/46/62/1188834662.db2.gz HCPYWENHRJRFKG-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=C(CC(C)C)C(=O)N1CC(C)(C)C1 1263813197 1188834724 /nfs/dbraw/zinc/83/47/24/1188834724.db2.gz CGWNVHNRNRCZDC-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C#CCNc1nc2cccc(C)c2o1 1306912647 1188835145 /nfs/dbraw/zinc/83/51/45/1188835145.db2.gz NBVRQPOIPBXOMH-UHFFFAOYSA-N 0 0 186.214 2.181 10 30 AEEERN COC1(C=NNC2CCCC2)CCC1 1323392626 1188835403 /nfs/dbraw/zinc/83/54/03/1188835403.db2.gz WJVVHBYPGVAMMO-UHFFFAOYSA-N 0 0 196.294 2.074 10 30 AEEERN FC1(F)C[C@H]1C=NOC1CCC1 1328090786 1188835904 /nfs/dbraw/zinc/83/59/04/1188835904.db2.gz IQTBMCXNIGEJNJ-LURJTMIESA-N 0 0 175.178 2.197 10 30 AEEERN FC1(F)C[C@@H]1C=NOC1CCC1 1328090787 1188835969 /nfs/dbraw/zinc/83/59/69/1188835969.db2.gz IQTBMCXNIGEJNJ-ZCFIWIBFSA-N 0 0 175.178 2.197 10 30 AEEERN C=CCCCN(CC)C(=O)NC1CC1 1334395517 1188836806 /nfs/dbraw/zinc/83/68/06/1188836806.db2.gz UXKHUVVZNWGHTP-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCn1cnc(CC)c1 1459264474 1188842455 /nfs/dbraw/zinc/84/24/55/1188842455.db2.gz WGTXSSFDEZUJLB-UHFFFAOYSA-N 0 0 150.225 2.022 10 30 AEEERN C=CCOc1cc(F)c(F)cc1C=O 1459308629 1188843224 /nfs/dbraw/zinc/84/32/24/1188843224.db2.gz DITQXFJSLDUEOO-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN C=CCCCOC(=O)CCC 32152264 697619718 /nfs/dbraw/zinc/61/97/18/697619718.db2.gz DTGXDHGNUDOWJS-UHFFFAOYSA-N 0 0 156.225 2.296 10 30 AEEERN c1cnn(N=C2CCCCC2)c1 34475687 697620098 /nfs/dbraw/zinc/62/00/98/697620098.db2.gz IBDCMTJTUPZBSU-UHFFFAOYSA-N 0 0 163.224 2.051 10 30 AEEERN CC[C@@H](C#N)OC(=O)C1CCCC1 84446660 697628186 /nfs/dbraw/zinc/62/81/86/697628186.db2.gz CVLCEKXCBRKQAR-VIFPVBQESA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@H](C#N)OC(=O)c1cccs1 84455251 697628369 /nfs/dbraw/zinc/62/83/69/697628369.db2.gz DQHXOKSLOOAUFX-SSDOTTSWSA-N 0 0 195.243 2.207 10 30 AEEERN CC(C)[C@@H](C#N)OC(=O)C1CCCC1 84455261 697628386 /nfs/dbraw/zinc/62/83/86/697628386.db2.gz KVZUIYCDOUOBIP-SNVBAGLBSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)[C@H](C#N)OC(=O)C1CCCC1 84455262 697628601 /nfs/dbraw/zinc/62/86/01/697628601.db2.gz KVZUIYCDOUOBIP-JTQLQIEISA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](C#N)OC(=O)C1CCCC1 84446663 697628632 /nfs/dbraw/zinc/62/86/32/697628632.db2.gz CVLCEKXCBRKQAR-SECBINFHSA-N 0 0 181.235 2.022 10 30 AEEERN C=C(C)COc1cccnc1F 87542382 697629443 /nfs/dbraw/zinc/62/94/43/697629443.db2.gz DFYCACGNRNXNMO-UHFFFAOYSA-N 0 0 167.183 2.176 10 30 AEEERN C=CC[C@@H](C)NC(=O)OC(C)C 127796525 697641327 /nfs/dbraw/zinc/64/13/27/697641327.db2.gz JKQHPHRROGMXKH-MRVPVSSYSA-N 0 0 171.240 2.086 10 30 AEEERN C=CC[C@H](C)NC(=O)OC(C)C 127796289 697641538 /nfs/dbraw/zinc/64/15/38/697641538.db2.gz JKQHPHRROGMXKH-QMMMGPOBSA-N 0 0 171.240 2.086 10 30 AEEERN CCCCCCC(=O)N(CC)CC#N 160911845 697661874 /nfs/dbraw/zinc/66/18/74/697661874.db2.gz HAXRMYYEMNBBLF-UHFFFAOYSA-N 0 0 196.294 2.329 10 30 AEEERN C#CCCCSC1CCOCC1 161045439 697663097 /nfs/dbraw/zinc/66/30/97/697663097.db2.gz XEUWJHCBSUCGNO-UHFFFAOYSA-N 0 0 184.304 2.312 10 30 AEEERN C#CCCNC(=O)CCCCCC 161198934 697666787 /nfs/dbraw/zinc/66/67/87/697666787.db2.gz APKJMYUTFDGUFB-UHFFFAOYSA-N 0 0 181.279 2.096 10 30 AEEERN C#CCCCOc1cnn(C(C)C)c1 162105728 697667723 /nfs/dbraw/zinc/66/77/23/697667723.db2.gz ZTEGXLULLIIWCC-UHFFFAOYSA-N 0 0 192.262 2.256 10 30 AEEERN CC(C)(C)C(C)(C)C(=O)OCC#N 163135112 697668907 /nfs/dbraw/zinc/66/89/07/697668907.db2.gz QGEGHUWWOLOYRT-UHFFFAOYSA-N 0 0 183.251 2.125 10 30 AEEERN C=CCOC(=O)C=C1CCCC1 168797537 697677179 /nfs/dbraw/zinc/67/71/79/697677179.db2.gz IBOBMGXHTHNNOP-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C(Cl)COc1ccc(F)nc1 169201754 697677846 /nfs/dbraw/zinc/67/78/46/697677846.db2.gz CQSGOEHEGRUHCS-UHFFFAOYSA-N 0 0 187.601 2.352 10 30 AEEERN C=CCOC(=O)CC(C)(C)C=C 168992243 697678000 /nfs/dbraw/zinc/67/80/00/697678000.db2.gz HYULMXZYFNYJBI-UHFFFAOYSA-N 0 0 168.236 2.318 10 30 AEEERN C=C[C@@H](C)OC(=O)CSC(C)C 196267714 697679907 /nfs/dbraw/zinc/67/99/07/697679907.db2.gz MNRFHGNHKAGMPU-MRVPVSSYSA-N 0 0 188.292 2.246 10 30 AEEERN C=C[C@H](C)OC(=O)CSC(C)C 196267701 697680077 /nfs/dbraw/zinc/68/00/77/697680077.db2.gz MNRFHGNHKAGMPU-QMMMGPOBSA-N 0 0 188.292 2.246 10 30 AEEERN CO[C@@H](C#N)c1cc(F)cc(F)c1 198739735 697680699 /nfs/dbraw/zinc/68/06/99/697680699.db2.gz GWHGEJLQCQCFOG-VIFPVBQESA-N 0 0 183.157 2.176 10 30 AEEERN C#CC(C)(C)CCOCC 199708729 697681068 /nfs/dbraw/zinc/68/10/68/697681068.db2.gz SXLBUHOXUIWHGM-UHFFFAOYSA-N 0 0 140.226 2.072 10 30 AEEERN C=CCN(CC=C)C(=O)/C=C/C=C/C 218113237 697685048 /nfs/dbraw/zinc/68/50/48/697685048.db2.gz CDZVIWWWHJXIQU-NUXDXBQRSA-N 0 0 191.274 2.319 10 30 AEEERN Cc1ccc(O)c(CS)c1 222463785 697686423 /nfs/dbraw/zinc/68/64/23/697686423.db2.gz OQKQMSXQBRXOOI-UHFFFAOYSA-N 0 0 154.234 2.130 10 30 AEEERN C/N=C(\OC)[C@@H]1C[C@H]1c1ccccc1 223823511 697687702 /nfs/dbraw/zinc/68/77/02/697687702.db2.gz QJLJNPAUMZDPDX-HDTCZIKISA-N 0 0 189.258 2.465 10 30 AEEERN CCCCCOC(=O)C(C)(C)C#N 224331281 697688449 /nfs/dbraw/zinc/68/84/49/697688449.db2.gz BDRVXVIMBDBYQS-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C=C(Cl)CN1CCC(C)(C#N)CC1 227353923 697696408 /nfs/dbraw/zinc/69/64/08/697696408.db2.gz TYWGTLSBALRBSD-UHFFFAOYSA-N 0 0 198.697 2.365 10 30 AEEERN C#CCCCCNc1cc(C)cnn1 229734197 697701735 /nfs/dbraw/zinc/70/17/35/697701735.db2.gz GQYCPCQVBGXVJT-UHFFFAOYSA-N 0 0 189.262 2.000 10 30 AEEERN C#CCCCS[C@@H]1CCO[C@@H]1C 231628501 697704289 /nfs/dbraw/zinc/70/42/89/697704289.db2.gz HNXJGGQELMHWGR-NXEZZACHSA-N 0 0 184.304 2.310 10 30 AEEERN C#CCCCSC[C@H]1CCCO1 231635283 697704488 /nfs/dbraw/zinc/70/44/88/697704488.db2.gz BCXIPKHTJAPIBB-SNVBAGLBSA-N 0 0 184.304 2.312 10 30 AEEERN C#CCCCS[C@@H]1CCO[C@H]1C 231628508 697704608 /nfs/dbraw/zinc/70/46/08/697704608.db2.gz HNXJGGQELMHWGR-VHSXEESVSA-N 0 0 184.304 2.310 10 30 AEEERN C#CCCCS[C@H]1CCO[C@@H]1C 231628505 697704658 /nfs/dbraw/zinc/70/46/58/697704658.db2.gz HNXJGGQELMHWGR-ZJUUUORDSA-N 0 0 184.304 2.310 10 30 AEEERN C#CCCCS[C@H]1CCO[C@H]1C 231628511 697704676 /nfs/dbraw/zinc/70/46/76/697704676.db2.gz HNXJGGQELMHWGR-UWVGGRQHSA-N 0 0 184.304 2.310 10 30 AEEERN CC(=NO)C1CCCCC1 252370072 697714188 /nfs/dbraw/zinc/71/41/88/697714188.db2.gz NFPDMQSJCHCCKU-UHFFFAOYSA-N 0 0 141.214 2.417 10 30 AEEERN CC(C)Oc1ccc(C=NO)cc1 252426046 697714192 /nfs/dbraw/zinc/71/41/92/697714192.db2.gz RSFSIYPWOVTBLV-UHFFFAOYSA-N 0 0 179.219 2.282 10 30 AEEERN COc1cccc2c1CCCC2=NO 252660883 697715190 /nfs/dbraw/zinc/71/51/90/697715190.db2.gz DGGPOLXLMRQFQS-UHFFFAOYSA-N 0 0 191.230 2.210 10 30 AEEERN N#CCCOc1ccc2cc[nH]c2c1 260016254 697717759 /nfs/dbraw/zinc/71/77/59/697717759.db2.gz JRYPYEPVWXIKGT-UHFFFAOYSA-N 0 0 186.214 2.460 10 30 AEEERN CCSCc1cncc(C#N)c1 260143909 697718450 /nfs/dbraw/zinc/71/84/50/697718450.db2.gz LZLKDUSBNWXHFZ-UHFFFAOYSA-N 0 0 178.260 2.206 10 30 AEEERN C#C[C@H](C)OC(=O)C1=C(C)CCC1 306150316 697721724 /nfs/dbraw/zinc/72/17/24/697721724.db2.gz FRICITGBUCMHSA-VIFPVBQESA-N 0 0 178.231 2.052 10 30 AEEERN CSCOc1ccccc1C#N 306689907 697731715 /nfs/dbraw/zinc/73/17/15/697731715.db2.gz ACOJTAMHVCRAHM-UHFFFAOYSA-N 0 0 179.244 2.258 10 30 AEEERN C=C(Cl)CN1CC[C@H](C)[C@@H](F)C1 307030995 697736618 /nfs/dbraw/zinc/73/66/18/697736618.db2.gz JZTPLXNCFJJZOM-CBAPKCEASA-N 0 0 191.677 2.419 10 30 AEEERN C=C(Cl)CN1CC[C@@H](C)[C@@H](F)C1 307030989 697736628 /nfs/dbraw/zinc/73/66/28/697736628.db2.gz JZTPLXNCFJJZOM-APPZFPTMSA-N 0 0 191.677 2.419 10 30 AEEERN CSCOc1cc(F)cc(C#N)c1 307203732 697738750 /nfs/dbraw/zinc/73/87/50/697738750.db2.gz HIVDREYXOGBBFR-UHFFFAOYSA-N 0 0 197.234 2.397 10 30 AEEERN C=C(C)CCNc1cc(C)cnn1 307244729 697739303 /nfs/dbraw/zinc/73/93/03/697739303.db2.gz VCNSGBDSBLZXHW-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=C(C)CNN=C1CC2(CCC2)C1 307318612 697741631 /nfs/dbraw/zinc/74/16/31/697741631.db2.gz QYENDXZCADMGNC-UHFFFAOYSA-N 0 0 178.279 2.472 10 30 AEEERN C#Cc1ccnn1CC1CCCC1 307323609 697742091 /nfs/dbraw/zinc/74/20/91/697742091.db2.gz JBRHPIBNOCYYFA-UHFFFAOYSA-N 0 0 174.247 2.055 10 30 AEEERN C=C(Cl)CN1C[C@@H](C)[C@@H]1C 307410325 697743652 /nfs/dbraw/zinc/74/36/52/697743652.db2.gz IYQKVQJQTATHTF-SVRRBLITSA-N 0 0 159.660 2.079 10 30 AEEERN C=C(Cl)CN1C[C@H](C)[C@@H]1C 307410328 697743780 /nfs/dbraw/zinc/74/37/80/697743780.db2.gz IYQKVQJQTATHTF-XPUUQOCRSA-N 0 0 159.660 2.079 10 30 AEEERN C=C[C@@H](C)OC(=O)C(C)(Cl)Cl 307626970 697748002 /nfs/dbraw/zinc/74/80/02/697748002.db2.gz QZLRTHNGPDDXGI-RXMQYKEDSA-N 0 0 197.061 2.298 10 30 AEEERN CC(C)(C#N)OC(=O)C1CCCC1 307687445 697750368 /nfs/dbraw/zinc/75/03/68/697750368.db2.gz DNBTUNGADINABV-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN C=C(C)CSCCSCCO 307882835 697752312 /nfs/dbraw/zinc/75/23/12/697752312.db2.gz RTRLEHYOODEYSS-UHFFFAOYSA-N 0 0 192.349 2.021 10 30 AEEERN C#CCCCSCCOCC 307908359 697752828 /nfs/dbraw/zinc/75/28/28/697752828.db2.gz UGRCNUZRYLIMMH-UHFFFAOYSA-N 0 0 172.293 2.170 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccoc1 307964652 697754122 /nfs/dbraw/zinc/75/41/22/697754122.db2.gz ZXAQCGFSNXVTGN-SSDOTTSWSA-N 0 0 166.176 2.011 10 30 AEEERN C=C[C@H](CC)OC(=O)C=C(C)C 307976492 697754225 /nfs/dbraw/zinc/75/42/25/697754225.db2.gz LLPDSESRRPTOJM-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=C(CC)COC(=O)/C(C)=C\C 308006149 697754764 /nfs/dbraw/zinc/75/47/64/697754764.db2.gz DGUGAAOGXXOBHS-TWGQIWQCSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(CC)COC(=O)/C(C)=C/C 308006148 697754879 /nfs/dbraw/zinc/75/48/79/697754879.db2.gz DGUGAAOGXXOBHS-RMKNXTFCSA-N 0 0 168.236 2.462 10 30 AEEERN C#CCCCCCOC(=O)CC 308039909 697755278 /nfs/dbraw/zinc/75/52/78/697755278.db2.gz MUMBYITVRQJJGL-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN C=CCCC(=O)OC1CC(C)C1 308029737 697755479 /nfs/dbraw/zinc/75/54/79/697755479.db2.gz ILHIPYINKNUDTQ-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C#CCCOC(=O)C(C)(C)C(C)C 308135031 697757562 /nfs/dbraw/zinc/75/75/62/697757562.db2.gz DRYJNNUMHAJHIY-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN C=CCN(C(=O)C1=CCC1)C(C)C 308145304 697758331 /nfs/dbraw/zinc/75/83/31/697758331.db2.gz LIPDQQZBAKLCDU-UHFFFAOYSA-N 0 0 179.263 2.130 10 30 AEEERN C=C(C)CCOC(=O)[C@H](C)SC 308171387 697759587 /nfs/dbraw/zinc/75/95/87/697759587.db2.gz WXGHVAWNNALWJN-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(C)CCOC(=O)[C@@H](C)SC 308171385 697759604 /nfs/dbraw/zinc/75/96/04/697759604.db2.gz WXGHVAWNNALWJN-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN CC[C@@H](C)OC(=O)C1(C#N)CCC1 308214099 697760900 /nfs/dbraw/zinc/76/09/00/697760900.db2.gz HZVNNFDRJWVUPG-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN CON=C[C@@H]1CCc2ccccc21 308249841 697761569 /nfs/dbraw/zinc/76/15/69/697761569.db2.gz AWLCCPGAOFJTKY-JTQLQIEISA-N 0 0 175.231 2.349 10 30 AEEERN C[C@@H](CC(C)(C)C)C(=O)OCC#N 308265839 697762146 /nfs/dbraw/zinc/76/21/46/697762146.db2.gz PSPBDMXZAICXSH-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN C#CCC(C)(C)COC(=O)C(C)C 308265562 697762255 /nfs/dbraw/zinc/76/22/55/697762255.db2.gz PPADPZQFAZXJSB-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN C[C@H](CC(C)(C)C)C(=O)OCC#N 308265838 697762197 /nfs/dbraw/zinc/76/21/97/697762197.db2.gz PSPBDMXZAICXSH-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)(C#N)OC(=O)CC1CCC1 308268925 697762783 /nfs/dbraw/zinc/76/27/83/697762783.db2.gz RBGYQLPAIAWRDE-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN C=CCCCNC(=O)OCC1CC1 308270709 697763352 /nfs/dbraw/zinc/76/33/52/697763352.db2.gz RXSBNUBNYVRVGH-UHFFFAOYSA-N 0 0 183.251 2.089 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCC#CC 308271431 697763487 /nfs/dbraw/zinc/76/34/87/697763487.db2.gz SHNKTFAKFJQYCR-SNVBAGLBSA-N 0 0 180.247 2.155 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCC#CC 308271430 697763501 /nfs/dbraw/zinc/76/35/01/697763501.db2.gz SHNKTFAKFJQYCR-JTQLQIEISA-N 0 0 180.247 2.155 10 30 AEEERN C=C(C)CCOC(=O)C1CC=CC1 308278178 697764334 /nfs/dbraw/zinc/76/43/34/697764334.db2.gz WNXNMQWLFVOAPJ-UHFFFAOYSA-N 0 0 180.247 2.462 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1cscn1 308286302 697764933 /nfs/dbraw/zinc/76/49/33/697764933.db2.gz ZCZKDXYWXWHIPL-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1cscn1 308286303 697764973 /nfs/dbraw/zinc/76/49/73/697764973.db2.gz ZCZKDXYWXWHIPL-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C#C[C@H](CC)OC(=O)C[C@H](C)CC 308287176 697765436 /nfs/dbraw/zinc/76/54/36/697765436.db2.gz FAVLPTJOUHZGCL-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)C[C@H](C)CC 308287179 697765479 /nfs/dbraw/zinc/76/54/79/697765479.db2.gz FAVLPTJOUHZGCL-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)C[C@@H](C)CC 308287177 697765545 /nfs/dbraw/zinc/76/55/45/697765545.db2.gz FAVLPTJOUHZGCL-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN C1CCC2(C1)CCC2=NNC1CC1 308322123 697766547 /nfs/dbraw/zinc/76/65/47/697766547.db2.gz BZJZRRFDCHOFCS-UHFFFAOYSA-N 0 0 178.279 2.449 10 30 AEEERN C=CCCCN(C)C(=O)/C(C)=C\C 308322363 697766557 /nfs/dbraw/zinc/76/65/57/697766557.db2.gz ZNYJBTIKIBSZQH-POHAHGRESA-N 0 0 181.279 2.377 10 30 AEEERN CCCCC=NOC1CCOCC1 308325676 697766897 /nfs/dbraw/zinc/76/68/97/697766897.db2.gz FDPGRFYSYZDZFO-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN COCCCON=CCCC1CC1 308327453 697767260 /nfs/dbraw/zinc/76/72/60/697767260.db2.gz GJBNIFIIHGFBOD-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CCCC(=O)O[C@@H](C#N)C(C)(C)C 308328230 697767357 /nfs/dbraw/zinc/76/73/57/697767357.db2.gz HAMDJQHQQMILHB-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(C)CCON=C(N)CC1CC1 308327322 697767413 /nfs/dbraw/zinc/76/74/13/697767413.db2.gz HGIWZSWSHSKLMD-UHFFFAOYSA-N 0 0 182.267 2.042 10 30 AEEERN C=CCCCNC(=O)/C(C)=C\CC 308327181 697767434 /nfs/dbraw/zinc/76/74/34/697767434.db2.gz GFGLOQYOHLPEHB-NTMALXAHSA-N 0 0 181.279 2.425 10 30 AEEERN C=C(C)CCONC(=O)C(C)(C)C 308334576 697768145 /nfs/dbraw/zinc/76/81/45/697768145.db2.gz NAYGJEZHDGEJDE-UHFFFAOYSA-N 0 0 185.267 2.047 10 30 AEEERN C=C[C@H](CC)OC(=O)CCCC#N 308367195 697769029 /nfs/dbraw/zinc/76/90/29/697769029.db2.gz OQDJLLOGIKFRHL-SECBINFHSA-N 0 0 181.235 2.188 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1nccs1 308404340 697769594 /nfs/dbraw/zinc/76/95/94/697769594.db2.gz IVNOZABVOJVLGX-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN C=C[C@H](CC)OC(=O)/C=C\C1CC1 308421764 697770927 /nfs/dbraw/zinc/77/09/27/697770927.db2.gz OYVNQFCFRDLSIG-GQYWMQPJSA-N 0 0 180.247 2.460 10 30 AEEERN C#C[C@H](C)OC(=O)C1(CC)CCC1 308429348 697772117 /nfs/dbraw/zinc/77/21/17/697772117.db2.gz SOZBHNGUDDIJKT-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN COC(C)(C)CC=NOCC(F)F 308434385 697772275 /nfs/dbraw/zinc/77/22/75/697772275.db2.gz VJWULUJPDSLQLR-UHFFFAOYSA-N 0 0 195.209 2.069 10 30 AEEERN C#C[C@@H](C)OC(=O)C1(CC)CCC1 308429347 697772319 /nfs/dbraw/zinc/77/23/19/697772319.db2.gz SOZBHNGUDDIJKT-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN CON=C1CCc2ccc(C)cc21 308448595 697772648 /nfs/dbraw/zinc/77/26/48/697772648.db2.gz CIUGUSMONLQPGY-UHFFFAOYSA-N 0 0 175.231 2.292 10 30 AEEERN CCCCC(=O)O[C@H](C#N)C(C)C 308480447 697772714 /nfs/dbraw/zinc/77/27/14/697772714.db2.gz NCOVSGZEOCOBOV-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN N#C[C@@H]1CCCN(CCCCCF)C1 308455446 697772965 /nfs/dbraw/zinc/77/29/65/697772965.db2.gz DMSUBYNTAFJTEP-NSHDSACASA-N 0 0 198.285 2.362 10 30 AEEERN CCCCC(=O)O[C@@H](C#N)C(C)C 308480450 697773504 /nfs/dbraw/zinc/77/35/04/697773504.db2.gz NCOVSGZEOCOBOV-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H]1C[C@H]1C 378678364 697784203 /nfs/dbraw/zinc/78/42/03/697784203.db2.gz RZRPABLPHUGNLY-HRDYMLBCSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H]1C[C@@H]1C 378678363 697784237 /nfs/dbraw/zinc/78/42/37/697784237.db2.gz RZRPABLPHUGNLY-CIUDSAMLSA-N 0 0 168.236 2.150 10 30 AEEERN C=CCC(F)(F)C(=O)O[C@@H](C)C=C 378756302 697785891 /nfs/dbraw/zinc/78/58/91/697785891.db2.gz SLQZPXZHOPKOHB-ZETCQYMHSA-N 0 0 190.189 2.316 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H]1C[C@@H]1C(F)F 378745537 697786007 /nfs/dbraw/zinc/78/60/07/697786007.db2.gz RFDNISLSTQMVGK-VQVTYTSYSA-N 0 0 190.189 2.005 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1C[C@@H]1C(F)F 378745536 697786014 /nfs/dbraw/zinc/78/60/14/697786014.db2.gz RFDNISLSTQMVGK-ACZMJKKPSA-N 0 0 190.189 2.005 10 30 AEEERN C=CCC(F)(F)C(=O)O[C@H](C)C=C 378756301 697786056 /nfs/dbraw/zinc/78/60/56/697786056.db2.gz SLQZPXZHOPKOHB-SSDOTTSWSA-N 0 0 190.189 2.316 10 30 AEEERN CC(CC(F)(F)F)=NNC1CC1 378753049 697786119 /nfs/dbraw/zinc/78/61/19/697786119.db2.gz QANNXVRIXOFDCJ-UHFFFAOYSA-N 0 0 180.173 2.067 10 30 AEEERN CON=C1CC[C@H]1C(C)C 378788933 697787303 /nfs/dbraw/zinc/78/73/03/697787303.db2.gz LJPAJFNLHKGYKK-ZETCQYMHSA-N 0 0 141.214 2.055 10 30 AEEERN C=C(C)COC(=O)[C@H]1C[C@@H]1C1CC1 378764529 697786753 /nfs/dbraw/zinc/78/67/53/697786753.db2.gz CIZRCKFPHJQTMR-ZJUUUORDSA-N 0 0 180.247 2.152 10 30 AEEERN C1CCC(NN=C2CC[C@H]3C[C@@H]23)C1 378768520 697786861 /nfs/dbraw/zinc/78/68/61/697786861.db2.gz DUEUJBVTEGFFPP-WCBMZHEXSA-N 0 0 178.279 2.305 10 30 AEEERN C=C(C)COC(=O)[C@H]1C[C@@H]1C(F)F 378785100 697787252 /nfs/dbraw/zinc/78/72/52/697787252.db2.gz KWTCICZZBWRGOC-BQBZGAKWSA-N 0 0 190.189 2.007 10 30 AEEERN CCON=C(C)CC1(OC)CCC1 378785767 697787255 /nfs/dbraw/zinc/78/72/55/697787255.db2.gz JUQGHQNGANMHFL-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN CON=C1CC[C@@H]1C(C)C 378788932 697787352 /nfs/dbraw/zinc/78/73/52/697787352.db2.gz LJPAJFNLHKGYKK-SSDOTTSWSA-N 0 0 141.214 2.055 10 30 AEEERN COCCON=C1CC(C(C)C)C1 378846523 697788770 /nfs/dbraw/zinc/78/87/70/697788770.db2.gz ABXXMRIBBWFQEQ-UHFFFAOYSA-N 0 0 185.267 2.071 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 378820906 697788929 /nfs/dbraw/zinc/78/89/29/697788929.db2.gz MSMYZGQYPXDYMC-QNSHHTMESA-N 0 0 180.247 2.150 10 30 AEEERN CCSCC=NOCC(F)F 378847751 697789482 /nfs/dbraw/zinc/78/94/82/697789482.db2.gz BCNLNTJDCMIQFI-UHFFFAOYSA-N 0 0 183.223 2.007 10 30 AEEERN CCOC1CC(=NOCC(C)C)C1 378851033 697789497 /nfs/dbraw/zinc/78/94/97/697789497.db2.gz FMVDORQIYAVNLJ-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN C[C@@H]1C(=NOCC2CC2)C[C@H]1C 378854298 697789980 /nfs/dbraw/zinc/78/99/80/697789980.db2.gz ITDAKMMLPOQOBV-SFYZADRCSA-N 0 0 167.252 2.445 10 30 AEEERN CCON=C1CC[C@@H]1C(C)C 378851965 697789996 /nfs/dbraw/zinc/78/99/96/697789996.db2.gz GLHQWVTWQJRDGL-MRVPVSSYSA-N 0 0 155.241 2.445 10 30 AEEERN COCCON=C(C)[C@H]1CC1(C)C 378853119 697790049 /nfs/dbraw/zinc/79/00/49/697790049.db2.gz HPRYFWLHANXGMY-SECBINFHSA-N 0 0 185.267 2.071 10 30 AEEERN C#CCCOC(=O)c1sccc1F 378853924 697790148 /nfs/dbraw/zinc/79/01/48/697790148.db2.gz IHSVFMDNZRBOMU-UHFFFAOYSA-N 0 0 198.218 2.067 10 30 AEEERN CC(C)CON=C1CCOC1(C)C 378852755 697790152 /nfs/dbraw/zinc/79/01/52/697790152.db2.gz HFQIUYOMOHYALW-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN COCCCON=C1C[C@@H](C)[C@H]1C 378854196 697790156 /nfs/dbraw/zinc/79/01/56/697790156.db2.gz IOBYOGOZLSDISC-RKDXNWHRSA-N 0 0 185.267 2.071 10 30 AEEERN C[C@@H]1CC(=NOCC2CC2)[C@@H]1C 378854296 697790173 /nfs/dbraw/zinc/79/01/73/697790173.db2.gz ITDAKMMLPOQOBV-HTQZYQBOSA-N 0 0 167.252 2.445 10 30 AEEERN CCON=C1CC[C@H]1C(C)C 378851966 697790182 /nfs/dbraw/zinc/79/01/82/697790182.db2.gz GLHQWVTWQJRDGL-QMMMGPOBSA-N 0 0 155.241 2.445 10 30 AEEERN COCCCON=C1C[C@H](C)[C@@H]1C 378854194 697790224 /nfs/dbraw/zinc/79/02/24/697790224.db2.gz IOBYOGOZLSDISC-IUCAKERBSA-N 0 0 185.267 2.071 10 30 AEEERN C=CCC(F)(F)C(=O)OC1CCC1 378853515 697790238 /nfs/dbraw/zinc/79/02/38/697790238.db2.gz HWZCCRQJWDCGCQ-UHFFFAOYSA-N 0 0 190.189 2.294 10 30 AEEERN COCCON=C(C)[C@@H]1CC1(C)C 378853120 697790244 /nfs/dbraw/zinc/79/02/44/697790244.db2.gz HPRYFWLHANXGMY-VIFPVBQESA-N 0 0 185.267 2.071 10 30 AEEERN COCCCON=C1C[C@@H](C)[C@@H]1C 378854191 697790250 /nfs/dbraw/zinc/79/02/50/697790250.db2.gz IOBYOGOZLSDISC-BDAKNGLRSA-N 0 0 185.267 2.071 10 30 AEEERN C[C@H]1CC(=NOCC2CC2)[C@H]1C 378854299 697790256 /nfs/dbraw/zinc/79/02/56/697790256.db2.gz ITDAKMMLPOQOBV-YUMQZZPRSA-N 0 0 167.252 2.445 10 30 AEEERN C[C@H]1CC(=NOCC2CC2)[C@@H]1C 378854297 697790285 /nfs/dbraw/zinc/79/02/85/697790285.db2.gz ITDAKMMLPOQOBV-JGVFFNPUSA-N 0 0 167.252 2.445 10 30 AEEERN COCCCON=C1C[C@H](C)[C@H]1C 378854192 697790290 /nfs/dbraw/zinc/79/02/90/697790290.db2.gz IOBYOGOZLSDISC-DTWKUNHWSA-N 0 0 185.267 2.071 10 30 AEEERN COCCON=C1CC[C@H]1C(C)C 378858613 697790444 /nfs/dbraw/zinc/79/04/44/697790444.db2.gz MTFBNTDSJKZWFW-VIFPVBQESA-N 0 0 185.267 2.071 10 30 AEEERN COCCON=C1CC[C@@H]1C(C)C 378858607 697790861 /nfs/dbraw/zinc/79/08/61/697790861.db2.gz MTFBNTDSJKZWFW-SECBINFHSA-N 0 0 185.267 2.071 10 30 AEEERN C=CCNN=C(C)CC(F)(F)F 378857638 697790875 /nfs/dbraw/zinc/79/08/75/697790875.db2.gz LTCYSVXIBVLGLJ-UHFFFAOYSA-N 0 0 180.173 2.090 10 30 AEEERN CCSCC=NOCC1CC1 378862329 697791542 /nfs/dbraw/zinc/79/15/42/697791542.db2.gz SRMSRVFNDKITAM-UHFFFAOYSA-N 0 0 173.281 2.152 10 30 AEEERN CC(=NNCC(F)F)[C@@H]1CC1(C)C 378865127 697792167 /nfs/dbraw/zinc/79/21/67/697792167.db2.gz YQBXMFGLQQWBQC-ZETCQYMHSA-N 0 0 190.237 2.263 10 30 AEEERN CC(=NNCC(F)F)[C@H]1CC1(C)C 378865126 697792214 /nfs/dbraw/zinc/79/22/14/697792214.db2.gz YQBXMFGLQQWBQC-SSDOTTSWSA-N 0 0 190.237 2.263 10 30 AEEERN C1CSCC(=NOCC2CC2)C1 378865613 697792220 /nfs/dbraw/zinc/79/22/20/697792220.db2.gz ZTHFHGDHIWIAEC-UHFFFAOYSA-N 0 0 185.292 2.296 10 30 AEEERN C=CCN(C(=O)C(C)(F)F)C(C)C 378865874 697792279 /nfs/dbraw/zinc/79/22/79/697792279.db2.gz AIWYRVZJXQHIAF-UHFFFAOYSA-N 0 0 191.221 2.065 10 30 AEEERN CC[C@@H](C)CON=Cc1cocn1 378872645 697793888 /nfs/dbraw/zinc/79/38/88/697793888.db2.gz RRSAFWTYSHWHIV-MRVPVSSYSA-N 0 0 182.223 2.071 10 30 AEEERN CCCNN=C(C)CC(F)(F)F 378873651 697793899 /nfs/dbraw/zinc/79/38/99/697793899.db2.gz UWWNVOUWACVPAB-UHFFFAOYSA-N 0 0 182.189 2.314 10 30 AEEERN CC[C@H](C)CON=Cc1cocn1 378872646 697793977 /nfs/dbraw/zinc/79/39/77/697793977.db2.gz RRSAFWTYSHWHIV-QMMMGPOBSA-N 0 0 182.223 2.071 10 30 AEEERN C#CCON=CC1CCC(C)CC1 378875719 697794429 /nfs/dbraw/zinc/79/44/29/697794429.db2.gz ZUYYBJSRCAWHCV-UHFFFAOYSA-N 0 0 179.263 2.448 10 30 AEEERN CCCCOC(=O)CC1(C#N)CC1 378918442 697794966 /nfs/dbraw/zinc/79/49/66/697794966.db2.gz NTUXXBHQYXJMJS-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN CCCC=NOCC(F)(F)F 378963286 697795572 /nfs/dbraw/zinc/79/55/72/697795572.db2.gz AAQICGQNSKLZIX-UHFFFAOYSA-N 0 0 169.146 2.351 10 30 AEEERN CCON=C1CCC1(C)C 378962773 697795590 /nfs/dbraw/zinc/79/55/90/697795590.db2.gz FCSAOZMUBNKLMY-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN CC(C)(C)C=NOCC1CC1 378970355 697795649 /nfs/dbraw/zinc/79/56/49/697795649.db2.gz GHUXELNEENCDPX-UHFFFAOYSA-N 0 0 155.241 2.445 10 30 AEEERN CON=C[C@@H](C)C(C)(C)C 378972536 697796182 /nfs/dbraw/zinc/79/61/82/697796182.db2.gz FASLCEXGYKEQRZ-SSDOTTSWSA-N 0 0 143.230 2.301 10 30 AEEERN CON=C[C@H](C)C(C)(C)C 378972537 697796224 /nfs/dbraw/zinc/79/62/24/697796224.db2.gz FASLCEXGYKEQRZ-ZETCQYMHSA-N 0 0 143.230 2.301 10 30 AEEERN CON=C1CC[C@@H]1C(C)(C)C 378974485 697796261 /nfs/dbraw/zinc/79/62/61/697796261.db2.gz MOZKYHGBOFKHOP-ZETCQYMHSA-N 0 0 155.241 2.445 10 30 AEEERN CON=C1CC[C@H]1C(C)(C)C 378974484 697796324 /nfs/dbraw/zinc/79/63/24/697796324.db2.gz MOZKYHGBOFKHOP-SSDOTTSWSA-N 0 0 155.241 2.445 10 30 AEEERN CCON=C(C)CC1CC1 378972328 697796458 /nfs/dbraw/zinc/79/64/58/697796458.db2.gz AGWOOMSGMDIVPG-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN Cl/C=C/CON=CC1CC1 378972538 697796485 /nfs/dbraw/zinc/79/64/85/697796485.db2.gz FESMNXHLWUXJTE-SAXGJFTBSA-N 0 0 159.616 2.151 10 30 AEEERN Cl/C=C\CON=CC1CC1 378972539 697796501 /nfs/dbraw/zinc/79/65/01/697796501.db2.gz FESMNXHLWUXJTE-ZVQUCFTPSA-N 0 0 159.616 2.151 10 30 AEEERN CC(C)CON=C[C@@H]1C[C@H]1C 379158710 697798839 /nfs/dbraw/zinc/79/88/39/697798839.db2.gz GFBLUAGFZRIZTA-BDAKNGLRSA-N 0 0 155.241 2.301 10 30 AEEERN C=CCN(CC=C)C/C=C/Cl 379157807 697798883 /nfs/dbraw/zinc/79/88/83/697798883.db2.gz FTRHYPNKLSLWRI-AATRIKPKSA-N 0 0 171.671 2.413 10 30 AEEERN CC(C)CON=C[C@H]1C[C@@H]1C 379158711 697798891 /nfs/dbraw/zinc/79/88/91/697798891.db2.gz GFBLUAGFZRIZTA-DTWKUNHWSA-N 0 0 155.241 2.301 10 30 AEEERN C=CCN(CC=C)C/C=C\Cl 379157808 697799233 /nfs/dbraw/zinc/79/92/33/697799233.db2.gz FTRHYPNKLSLWRI-WAYWQWQTSA-N 0 0 171.671 2.413 10 30 AEEERN CC(C)CON=C[C@H]1C[C@H]1C 379158713 697799330 /nfs/dbraw/zinc/79/93/30/697799330.db2.gz GFBLUAGFZRIZTA-RKDXNWHRSA-N 0 0 155.241 2.301 10 30 AEEERN FCCCCON=C1CCC1 379210619 697799484 /nfs/dbraw/zinc/79/94/84/697799484.db2.gz DQPARUNLXFBLOD-UHFFFAOYSA-N 0 0 159.204 2.293 10 30 AEEERN C=CCCSCCSCCO 379208383 697799757 /nfs/dbraw/zinc/79/97/57/697799757.db2.gz CNADEFFJODKYEK-UHFFFAOYSA-N 0 0 192.349 2.021 10 30 AEEERN C=C(CC)COC(=O)CCC 379204488 697799954 /nfs/dbraw/zinc/79/99/54/697799954.db2.gz APDIJCGZJAHPOH-UHFFFAOYSA-N 0 0 156.225 2.296 10 30 AEEERN C=CCON=Cc1cccs1 379246273 697801064 /nfs/dbraw/zinc/80/10/64/697801064.db2.gz ASDQCHBLOTYEJR-UHFFFAOYSA-N 0 0 167.233 2.285 10 30 AEEERN CON=C[C@H]1CCCC[C@@H]1C 379252452 697801653 /nfs/dbraw/zinc/80/16/53/697801653.db2.gz GLVLCQAFCZMHPQ-DTWKUNHWSA-N 0 0 155.241 2.445 10 30 AEEERN FC1(C=NOC/C=C\Cl)CC1 379255732 697801668 /nfs/dbraw/zinc/80/16/68/697801668.db2.gz IYTHVHOVPCXUBJ-GARNOVGPSA-N 0 0 177.606 2.243 10 30 AEEERN FC1(C=NOC/C=C/Cl)CC1 379255739 697801701 /nfs/dbraw/zinc/80/17/01/697801701.db2.gz IYTHVHOVPCXUBJ-RKASFJSESA-N 0 0 177.606 2.243 10 30 AEEERN CON=C[C@H]1CCCC[C@H]1C 379252455 697801821 /nfs/dbraw/zinc/80/18/21/697801821.db2.gz GLVLCQAFCZMHPQ-RKDXNWHRSA-N 0 0 155.241 2.445 10 30 AEEERN CON=C[C@@H]1CCCC[C@@H]1C 379252454 697801846 /nfs/dbraw/zinc/80/18/46/697801846.db2.gz GLVLCQAFCZMHPQ-IUCAKERBSA-N 0 0 155.241 2.445 10 30 AEEERN CON=C[C@@H]1CCCC[C@H]1C 379252450 697801855 /nfs/dbraw/zinc/80/18/55/697801855.db2.gz GLVLCQAFCZMHPQ-BDAKNGLRSA-N 0 0 155.241 2.445 10 30 AEEERN C#CCON=C[C@@H](C)CCC 379287198 697803061 /nfs/dbraw/zinc/80/30/61/697803061.db2.gz HLPJGQTZEBGXJV-VIFPVBQESA-N 0 0 153.225 2.058 10 30 AEEERN C#CCON=C[C@H](C)CCC 379287197 697803093 /nfs/dbraw/zinc/80/30/93/697803093.db2.gz HLPJGQTZEBGXJV-SECBINFHSA-N 0 0 153.225 2.058 10 30 AEEERN C=CCCSCCC1(O)CC1 379276248 697803100 /nfs/dbraw/zinc/80/31/00/697803100.db2.gz ZRMGHMKDIBXSGZ-UHFFFAOYSA-N 0 0 172.293 2.211 10 30 AEEERN CON=C(C)Cc1ccsc1 379282773 697803302 /nfs/dbraw/zinc/80/33/02/697803302.db2.gz FADPZZVMQFLZOY-UHFFFAOYSA-N 0 0 169.249 2.313 10 30 AEEERN C[C@@H]1CSCC1=NOCC(F)F 379310737 697803559 /nfs/dbraw/zinc/80/35/59/697803559.db2.gz AEHFKTSCDXCNTH-RXMQYKEDSA-N 0 0 195.234 2.007 10 30 AEEERN C=C[C@@H](C)OC(=O)C=C1CCC1 379310790 697803565 /nfs/dbraw/zinc/80/35/65/697803565.db2.gz AWPGMRLEURIAPS-MRVPVSSYSA-N 0 0 166.220 2.214 10 30 AEEERN C=C[C@H](C)OC(=O)C=C1CCC1 379310791 697803597 /nfs/dbraw/zinc/80/35/97/697803597.db2.gz AWPGMRLEURIAPS-QMMMGPOBSA-N 0 0 166.220 2.214 10 30 AEEERN C=C(Cl)CSCCC1(O)CC1 379297142 697803746 /nfs/dbraw/zinc/80/37/46/697803746.db2.gz NLXAFOQFTYKYIT-UHFFFAOYSA-N 0 0 192.711 2.387 10 30 AEEERN C[C@H]1CSCC1=NOCC(F)F 379310738 697803837 /nfs/dbraw/zinc/80/38/37/697803837.db2.gz AEHFKTSCDXCNTH-YFKPBYRVSA-N 0 0 195.234 2.007 10 30 AEEERN C=CCNN=C1CCCC[C@H]1C 379310973 697804170 /nfs/dbraw/zinc/80/41/70/697804170.db2.gz DZFZXVRWCQNRNO-SECBINFHSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCOC(=O)[C@H](C)[C@@H](C)CC 379311066 697804202 /nfs/dbraw/zinc/80/42/02/697804202.db2.gz GBAGGGIPTMLNMU-DTWKUNHWSA-N 0 0 170.252 2.398 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C/C1CC1 379311167 697804277 /nfs/dbraw/zinc/80/42/77/697804277.db2.gz HVZPAVQDPSDCFS-HYDMIIDASA-N 0 0 166.220 2.070 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C\C1CC1 379311169 697804303 /nfs/dbraw/zinc/80/43/03/697804303.db2.gz HVZPAVQDPSDCFS-UAPHAKCISA-N 0 0 166.220 2.070 10 30 AEEERN C=C[C@@H](C)OC(=O)C1CCCC1 379310809 697804313 /nfs/dbraw/zinc/80/43/13/697804313.db2.gz BEIIBBQXKVNHHU-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C/C1CC1 379311166 697804348 /nfs/dbraw/zinc/80/43/48/697804348.db2.gz HVZPAVQDPSDCFS-CZEYKFRCSA-N 0 0 166.220 2.070 10 30 AEEERN C=CCCOC(=O)CC1(C)CC1 379310869 697804364 /nfs/dbraw/zinc/80/43/64/697804364.db2.gz CIFMDECABZHQEG-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=CCOC(=O)[C@@H](C)[C@@H](C)CC 379311067 697804368 /nfs/dbraw/zinc/80/43/68/697804368.db2.gz GBAGGGIPTMLNMU-IUCAKERBSA-N 0 0 170.252 2.398 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C\C1CC1 379311168 697804413 /nfs/dbraw/zinc/80/44/13/697804413.db2.gz HVZPAVQDPSDCFS-NFXKFNAJSA-N 0 0 166.220 2.070 10 30 AEEERN C=CCOC(=O)[C@H](C)[C@H](C)CC 379311068 697804417 /nfs/dbraw/zinc/80/44/17/697804417.db2.gz GBAGGGIPTMLNMU-RKDXNWHRSA-N 0 0 170.252 2.398 10 30 AEEERN C=C[C@H](C)OC(=O)C1CCCC1 379310810 697804421 /nfs/dbraw/zinc/80/44/21/697804421.db2.gz BEIIBBQXKVNHHU-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCNN=C1CCCC[C@@H]1C 379310974 697804515 /nfs/dbraw/zinc/80/45/15/697804515.db2.gz DZFZXVRWCQNRNO-VIFPVBQESA-N 0 0 166.268 2.328 10 30 AEEERN CCCON=Cc1ccc(C)o1 379311092 697804501 /nfs/dbraw/zinc/80/45/01/697804501.db2.gz GKZNAWVOEDFWIG-UHFFFAOYSA-N 0 0 167.208 2.349 10 30 AEEERN C=CCOC(=O)[C@@H](C)[C@H](C)CC 379311065 697804451 /nfs/dbraw/zinc/80/44/51/697804451.db2.gz GBAGGGIPTMLNMU-BDAKNGLRSA-N 0 0 170.252 2.398 10 30 AEEERN C=CCOC(=O)CSCCCC 379311592 697804982 /nfs/dbraw/zinc/80/49/82/697804982.db2.gz OHVPBLJYJDFPDJ-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C#CCON=C1CCC[C@@H]1CC 379312713 697806479 /nfs/dbraw/zinc/80/64/79/697806479.db2.gz BIVGTYFBIBESGE-VIFPVBQESA-N 0 0 165.236 2.202 10 30 AEEERN C#CCON=C1CCC[C@H]1CC 379312712 697806611 /nfs/dbraw/zinc/80/66/11/697806611.db2.gz BIVGTYFBIBESGE-SECBINFHSA-N 0 0 165.236 2.202 10 30 AEEERN CCC(COC)=NOC/C=C/Cl 379313090 697807047 /nfs/dbraw/zinc/80/70/47/697807047.db2.gz DZFBSHNFOKLMDL-KSUJDPMHSA-N 0 0 191.658 2.168 10 30 AEEERN C#CCCOC(=O)CCCCC 379312960 697807345 /nfs/dbraw/zinc/80/73/45/697807345.db2.gz CXCMAJFQGYJVMH-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN CCC(COC)=NOC/C=C\Cl 379313089 697807350 /nfs/dbraw/zinc/80/73/50/697807350.db2.gz DZFBSHNFOKLMDL-GWZRUAKXSA-N 0 0 191.658 2.168 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](C)C1CC1 379313943 697807627 /nfs/dbraw/zinc/80/76/27/697807627.db2.gz KFQANRNOQXBADG-JGVFFNPUSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](C)C1CC1 379313944 697807857 /nfs/dbraw/zinc/80/78/57/697807857.db2.gz KFQANRNOQXBADG-SFYZADRCSA-N 0 0 168.236 2.150 10 30 AEEERN CCC(=NNCC(F)F)C1CC1 379313539 697807951 /nfs/dbraw/zinc/80/79/51/697807951.db2.gz IEUMWUNIOCUSOL-UHFFFAOYSA-N 0 0 176.210 2.017 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](C)C1CC1 379313942 697807959 /nfs/dbraw/zinc/80/79/59/697807959.db2.gz KFQANRNOQXBADG-HTQZYQBOSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](C)C1CC1 379313945 697808026 /nfs/dbraw/zinc/80/80/26/697808026.db2.gz KFQANRNOQXBADG-YUMQZZPRSA-N 0 0 168.236 2.150 10 30 AEEERN CCC(=NOC)c1ccccc1 379315064 697809200 /nfs/dbraw/zinc/80/92/00/697809200.db2.gz AFJMSAYQDCXBDP-UHFFFAOYSA-N 0 0 163.220 2.447 10 30 AEEERN CC1(C=NOCC(F)F)CCC1 379316672 697810502 /nfs/dbraw/zinc/81/05/02/697810502.db2.gz BNBCLFTXSKCAJZ-UHFFFAOYSA-N 0 0 177.194 2.444 10 30 AEEERN C=C(C)COC(=O)[C@H](F)C(C)C 379317091 697811059 /nfs/dbraw/zinc/81/10/59/697811059.db2.gz DCNJPJRILAXJMN-MRVPVSSYSA-N 0 0 174.215 2.100 10 30 AEEERN C=C(C)COC(=O)[C@@H](F)C(C)C 379317092 697811114 /nfs/dbraw/zinc/81/11/14/697811114.db2.gz DCNJPJRILAXJMN-QMMMGPOBSA-N 0 0 174.215 2.100 10 30 AEEERN C=CCCC(=O)OC1(C)CCC1 379317204 697811184 /nfs/dbraw/zinc/81/11/84/697811184.db2.gz DTPVMUDESKMQAX-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN C#CCON=C(C)[C@H](C)CC=C 379317372 697811195 /nfs/dbraw/zinc/81/11/95/697811195.db2.gz FQLNITKRMHLRNJ-SECBINFHSA-N 0 0 165.236 2.224 10 30 AEEERN CCC(=NNCC(C)C)C1CC1 379317258 697811471 /nfs/dbraw/zinc/81/14/71/697811471.db2.gz DYYWJYCWESUXHT-UHFFFAOYSA-N 0 0 168.284 2.408 10 30 AEEERN C#CCON=C(C)[C@@H](C)CC=C 379317373 697811538 /nfs/dbraw/zinc/81/15/38/697811538.db2.gz FQLNITKRMHLRNJ-VIFPVBQESA-N 0 0 165.236 2.224 10 30 AEEERN C=C[C@@H](C)OC(=O)CC1(C)CC1 379318864 697812450 /nfs/dbraw/zinc/81/24/50/697812450.db2.gz NIMAVQWCRSOPGC-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)CNN=C(C)CC1CC1 379318907 697812734 /nfs/dbraw/zinc/81/27/34/697812734.db2.gz NPOLGMWQNNNGRS-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=C[C@H](C)OC(=O)CC1(C)CC1 379318865 697812873 /nfs/dbraw/zinc/81/28/73/697812873.db2.gz NIMAVQWCRSOPGC-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCOC(=O)/C=C\C(C)(C)C 379320333 697814271 /nfs/dbraw/zinc/81/42/71/697814271.db2.gz VXROVTGHXATTCA-SREVYHEPSA-N 0 0 168.236 2.318 10 30 AEEERN C=CCOC(=O)/C=C/C(C)(C)C 379320334 697814279 /nfs/dbraw/zinc/81/42/79/697814279.db2.gz VXROVTGHXATTCA-VOTSOKGWSA-N 0 0 168.236 2.318 10 30 AEEERN C=CCOC(=O)[C@H](C)CC(=C)C 379322047 697815233 /nfs/dbraw/zinc/81/52/33/697815233.db2.gz GRYTUMXKNXRDEK-SECBINFHSA-N 0 0 168.236 2.318 10 30 AEEERN C#CCCSCc1ccccn1 379322110 697815301 /nfs/dbraw/zinc/81/53/01/697815301.db2.gz GZSBCBTYMNGSIB-UHFFFAOYSA-N 0 0 177.272 2.338 10 30 AEEERN C#CCON=C(C)CCC1CC1 379321681 697815331 /nfs/dbraw/zinc/81/53/31/697815331.db2.gz DPHCHDFOIAVGSU-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN C(=NOC1CCC1)c1ccco1 379321905 697815422 /nfs/dbraw/zinc/81/54/22/697815422.db2.gz GJPGKDBTTRREQO-UHFFFAOYSA-N 0 0 165.192 2.183 10 30 AEEERN C=CCNN=C(C(C)C)C1CC1 379322049 697815512 /nfs/dbraw/zinc/81/55/12/697815512.db2.gz GSEGISYGFGYABW-UHFFFAOYSA-N 0 0 166.268 2.184 10 30 AEEERN C#CCON=C(C)CCC(C)C 379321670 697815566 /nfs/dbraw/zinc/81/55/66/697815566.db2.gz DMJOVRPSOUAFTR-UHFFFAOYSA-N 0 0 167.252 2.448 10 30 AEEERN C=CCCOC(=O)c1ccsc1 379321672 697815595 /nfs/dbraw/zinc/81/55/95/697815595.db2.gz DODLHWXRYNSCME-UHFFFAOYSA-N 0 0 182.244 2.481 10 30 AEEERN C=CCOC(=O)[C@@H](C)CC(=C)C 379322048 697815603 /nfs/dbraw/zinc/81/56/03/697815603.db2.gz GRYTUMXKNXRDEK-VIFPVBQESA-N 0 0 168.236 2.318 10 30 AEEERN C=C(C)COC(=O)C(C)=C(C)C 379322088 697815625 /nfs/dbraw/zinc/81/56/25/697815625.db2.gz GWVLZECEFWCZAI-UHFFFAOYSA-N 0 0 168.236 2.462 10 30 AEEERN C=CCCC(=O)OCC(C)(C)F 379322952 697816003 /nfs/dbraw/zinc/81/60/03/697816003.db2.gz MSCUFQZMKWUJFA-UHFFFAOYSA-N 0 0 174.215 2.244 10 30 AEEERN C=C(C)COC(=O)/C=C\C(C)C 379322939 697816037 /nfs/dbraw/zinc/81/60/37/697816037.db2.gz MOTCBLPMCWSZIE-WAYWQWQTSA-N 0 0 168.236 2.318 10 30 AEEERN C=C(C)COC(=O)/C=C/C(C)C 379322938 697816041 /nfs/dbraw/zinc/81/60/41/697816041.db2.gz MOTCBLPMCWSZIE-AATRIKPKSA-N 0 0 168.236 2.318 10 30 AEEERN C=CCCC(=O)OC[C@H]1C[C@H]1C 379323243 697816454 /nfs/dbraw/zinc/81/64/54/697816454.db2.gz OQCOCCWDWDPJEX-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCCC(=O)OC[C@H]1C[C@@H]1C 379323241 697816529 /nfs/dbraw/zinc/81/65/29/697816529.db2.gz OQCOCCWDWDPJEX-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCCC(=O)OC[C@@H]1C[C@H]1C 379323240 697816539 /nfs/dbraw/zinc/81/65/39/697816539.db2.gz OQCOCCWDWDPJEX-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCCC(=O)OC[C@@H]1C[C@@H]1C 379323242 697816825 /nfs/dbraw/zinc/81/68/25/697816825.db2.gz OQCOCCWDWDPJEX-IUCAKERBSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCCC(=O)O[C@H]1C=CCC1 379323633 697816900 /nfs/dbraw/zinc/81/69/00/697816900.db2.gz RPCBBWLBCNHGMP-VIFPVBQESA-N 0 0 166.220 2.214 10 30 AEEERN C=CCCC(=O)O[C@@H]1C=CCC1 379323632 697816924 /nfs/dbraw/zinc/81/69/24/697816924.db2.gz RPCBBWLBCNHGMP-SECBINFHSA-N 0 0 166.220 2.214 10 30 AEEERN C=C(C)CNN=Cc1cccs1 379324331 697817088 /nfs/dbraw/zinc/81/70/88/697817088.db2.gz XRCUMWMPUOXOKN-UHFFFAOYSA-N 0 0 180.276 2.248 10 30 AEEERN C=CCOC(=O)CSC(C)(C)C 379324520 697817267 /nfs/dbraw/zinc/81/72/67/697817267.db2.gz ZEYLWEJLFCIJDA-UHFFFAOYSA-N 0 0 188.292 2.247 10 30 AEEERN C#CCCCSCc1ccno1 379324127 697817317 /nfs/dbraw/zinc/81/73/17/697817317.db2.gz WGRNJFHCFGGBCD-UHFFFAOYSA-N 0 0 181.260 2.321 10 30 AEEERN C=C(C)CNN=C1CCC1(C)C 379324245 697817457 /nfs/dbraw/zinc/81/74/57/697817457.db2.gz XFUOCDZUEWVWQV-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCC(C)(C)C(=O)OCCF 379326167 697818752 /nfs/dbraw/zinc/81/87/52/697818752.db2.gz GPWKSONOAKJLKM-UHFFFAOYSA-N 0 0 174.215 2.101 10 30 AEEERN C#CCON=Cc1ccc(C)s1 379326039 697818985 /nfs/dbraw/zinc/81/89/85/697818985.db2.gz FYLYZNXIDSJJPC-UHFFFAOYSA-N 0 0 179.244 2.040 10 30 AEEERN CCCNN=C1CCC12CCC2 379325799 697819009 /nfs/dbraw/zinc/81/90/09/697819009.db2.gz DWMJTQOEFLRRPN-UHFFFAOYSA-N 0 0 166.268 2.306 10 30 AEEERN C=C(C)COC(=O)C1(SC)CC1 379327010 697819981 /nfs/dbraw/zinc/81/99/81/697819981.db2.gz BRQNGIDIEYSRQF-UHFFFAOYSA-N 0 0 186.276 2.001 10 30 AEEERN C=C[C@@H](CC)OC(=O)CCSC 379328685 697822759 /nfs/dbraw/zinc/82/27/59/697822759.db2.gz QTGRLJHXPRAFBB-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C[C@H](CC)OC(=O)CCSC 379328684 697822889 /nfs/dbraw/zinc/82/28/89/697822889.db2.gz QTGRLJHXPRAFBB-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=C[C@@H](C)OC(=O)/C(C)=C\CC 379330178 697824493 /nfs/dbraw/zinc/82/44/93/697824493.db2.gz WUQBJHBSBLVMOX-UFGYOYAJSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)/C(C)=C/CC 379330176 697824517 /nfs/dbraw/zinc/82/45/17/697824517.db2.gz WUQBJHBSBLVMOX-FLOXNTQESA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)/C(C)=C\CC 379330177 697824583 /nfs/dbraw/zinc/82/45/83/697824583.db2.gz WUQBJHBSBLVMOX-FUOZMLNRSA-N 0 0 168.236 2.460 10 30 AEEERN FC(F)CON=Cc1cccs1 379330324 697824645 /nfs/dbraw/zinc/82/46/45/697824645.db2.gz AILHTODWGIRIIP-UHFFFAOYSA-N 0 0 191.202 2.364 10 30 AEEERN CN(C/C=C\Cl)CC(C)(C)C#N 379330514 697824846 /nfs/dbraw/zinc/82/48/46/697824846.db2.gz BMDYPMMXJLIJQJ-PLNGDYQASA-N 0 0 186.686 2.220 10 30 AEEERN CN(C/C=C/Cl)CC(C)(C)C#N 379330515 697824859 /nfs/dbraw/zinc/82/48/59/697824859.db2.gz BMDYPMMXJLIJQJ-SNAWJCMRSA-N 0 0 186.686 2.220 10 30 AEEERN C=C[C@@H](C)OC(=O)/C(C)=C/CC 379330175 697824915 /nfs/dbraw/zinc/82/49/15/697824915.db2.gz WUQBJHBSBLVMOX-FCZSHJHJSA-N 0 0 168.236 2.460 10 30 AEEERN COCCCON=C(C)C(C)C 379331238 697825640 /nfs/dbraw/zinc/82/56/40/697825640.db2.gz CURJIUBKYZLSFM-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN FC(F)CON=C[C@@H]1CCSC1 379331320 697825866 /nfs/dbraw/zinc/82/58/66/697825866.db2.gz DGVIPSAKDQUNIR-LURJTMIESA-N 0 0 195.234 2.007 10 30 AEEERN FC(F)CON=C[C@H]1CCSC1 379331322 697825913 /nfs/dbraw/zinc/82/59/13/697825913.db2.gz DGVIPSAKDQUNIR-ZCFIWIBFSA-N 0 0 195.234 2.007 10 30 AEEERN C=C(C)COC(=O)C1(CC)CC1 379331311 697826011 /nfs/dbraw/zinc/82/60/11/697826011.db2.gz CNRFTSZWQMLMSD-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CCON=Cc1cc(C)oc1C 379331700 697826562 /nfs/dbraw/zinc/82/65/62/697826562.db2.gz FITZZSYXAYLBDV-UHFFFAOYSA-N 0 0 167.208 2.267 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)CCSC 379333266 697827369 /nfs/dbraw/zinc/82/73/69/697827369.db2.gz JXUIUDLGNQORRT-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CCSC 379333267 697827516 /nfs/dbraw/zinc/82/75/16/697827516.db2.gz JXUIUDLGNQORRT-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN COC[C@H](C)C=NOC/C=C\Cl 379335154 697828572 /nfs/dbraw/zinc/82/85/72/697828572.db2.gz RWCPBJKDXSWKTQ-QSNDREBXSA-N 0 0 191.658 2.024 10 30 AEEERN COC[C@H](C)C=NOC/C=C/Cl 379335152 697828611 /nfs/dbraw/zinc/82/86/11/697828611.db2.gz RWCPBJKDXSWKTQ-JGMHAWPZSA-N 0 0 191.658 2.024 10 30 AEEERN COC[C@@H](C)C=NOC/C=C/Cl 379335153 697828674 /nfs/dbraw/zinc/82/86/74/697828674.db2.gz RWCPBJKDXSWKTQ-MHQOUFFSSA-N 0 0 191.658 2.024 10 30 AEEERN COC[C@@H](C)C=NOC/C=C\Cl 379335155 697828692 /nfs/dbraw/zinc/82/86/92/697828692.db2.gz RWCPBJKDXSWKTQ-XGCPMCIUSA-N 0 0 191.658 2.024 10 30 AEEERN C=C[C@@H](CC)OC(=O)/C(C)=C\C 379337022 697830040 /nfs/dbraw/zinc/83/00/40/697830040.db2.gz UWGVSAKBYRWWRI-RDOCRHDPSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](CC)OC(=O)/C(C)=C\C 379337021 697830067 /nfs/dbraw/zinc/83/00/67/697830067.db2.gz UWGVSAKBYRWWRI-BZJXQOFCSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](CC)OC(=O)/C=C\SC 379337906 697831015 /nfs/dbraw/zinc/83/10/15/697831015.db2.gz ZXEYBFDYJSYDGZ-NFXKFNAJSA-N 0 0 186.276 2.371 10 30 AEEERN C=C[C@H](CC)OC(=O)/C=C/SC 379337905 697831050 /nfs/dbraw/zinc/83/10/50/697831050.db2.gz ZXEYBFDYJSYDGZ-HYDMIIDASA-N 0 0 186.276 2.371 10 30 AEEERN C=C[C@@H](CC)OC(=O)/C=C/SC 379337904 697831058 /nfs/dbraw/zinc/83/10/58/697831058.db2.gz ZXEYBFDYJSYDGZ-CZEYKFRCSA-N 0 0 186.276 2.371 10 30 AEEERN C=C[C@@H](CC)OC(=O)/C=C\SC 379337907 697831077 /nfs/dbraw/zinc/83/10/77/697831077.db2.gz ZXEYBFDYJSYDGZ-UAPHAKCISA-N 0 0 186.276 2.371 10 30 AEEERN CCCCNN=Cc1ccoc1 379338086 697831120 /nfs/dbraw/zinc/83/11/20/697831120.db2.gz CNKWJBCXMVRQQB-UHFFFAOYSA-N 0 0 166.224 2.003 10 30 AEEERN C#CCCCC(=O)OC/C=C/Cl 379337987 697831128 /nfs/dbraw/zinc/83/11/28/697831128.db2.gz BFKNXUUKSYGXPM-FNORWQNLSA-N 0 0 186.638 2.086 10 30 AEEERN C#CCCCC(=O)OC/C=C\Cl 379337986 697831223 /nfs/dbraw/zinc/83/12/23/697831223.db2.gz BFKNXUUKSYGXPM-ALCCZGGFSA-N 0 0 186.638 2.086 10 30 AEEERN C(=NOCC1CC1)[C@H]1CCSC1 379337923 697831325 /nfs/dbraw/zinc/83/13/25/697831325.db2.gz AABKTVFHNRROKI-SECBINFHSA-N 0 0 185.292 2.152 10 30 AEEERN C(=NOCC1CC1)[C@@H]1CCSC1 379337924 697831331 /nfs/dbraw/zinc/83/13/31/697831331.db2.gz AABKTVFHNRROKI-VIFPVBQESA-N 0 0 185.292 2.152 10 30 AEEERN Cl/C=C/CON=Cc1ccoc1 379338914 697832292 /nfs/dbraw/zinc/83/22/92/697832292.db2.gz RTZNPWMPKBCXQI-BZZYXLSNSA-N 0 0 185.610 2.383 10 30 AEEERN Cl/C=C\CON=Cc1ccoc1 379338915 697832332 /nfs/dbraw/zinc/83/23/32/697832332.db2.gz RTZNPWMPKBCXQI-QEWQVTHESA-N 0 0 185.610 2.383 10 30 AEEERN C#CCCCN1CCC[C@H]1C(F)F 379351404 697833840 /nfs/dbraw/zinc/83/38/40/697833840.db2.gz AGHIFUOSZDJYDL-VIFPVBQESA-N 0 0 187.233 2.129 10 30 AEEERN C#CCCOC(=O)C1=C(C)CCC1 379352368 697834376 /nfs/dbraw/zinc/83/43/76/697834376.db2.gz BDYKXVUYYJTWQS-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN C=CCOC(=O)c1nc(C)sc1C 379353297 697834912 /nfs/dbraw/zinc/83/49/12/697834912.db2.gz AKCGXFGMNBADSF-UHFFFAOYSA-N 0 0 197.259 2.103 10 30 AEEERN C=CCON=Cc1cccc(F)c1 379353301 697834984 /nfs/dbraw/zinc/83/49/84/697834984.db2.gz DZIJZKIZFIRVCS-UHFFFAOYSA-N 0 0 179.194 2.362 10 30 AEEERN C#CCCCSCc1ccn(C)n1 379353454 697835478 /nfs/dbraw/zinc/83/54/78/697835478.db2.gz FLBCCXZOTUQUGY-UHFFFAOYSA-N 0 0 194.303 2.067 10 30 AEEERN CC1(C=NNCC(F)(F)F)CCC1 379353711 697835610 /nfs/dbraw/zinc/83/56/10/697835610.db2.gz GDBLKMRENSFADB-UHFFFAOYSA-N 0 0 194.200 2.314 10 30 AEEERN C#CCOC(=O)[C@H](CCC)C(C)C 379354190 697836086 /nfs/dbraw/zinc/83/60/86/697836086.db2.gz HSMFXNOSYWQEII-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C#CCOC(=O)[C@@H](CCC)C(C)C 379354189 697836210 /nfs/dbraw/zinc/83/62/10/697836210.db2.gz HSMFXNOSYWQEII-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN CC[C@H](C)CON=C1CCCOC1 379354828 697836568 /nfs/dbraw/zinc/83/65/68/697836568.db2.gz JPSNSIUNXJFFER-VIFPVBQESA-N 0 0 185.267 2.216 10 30 AEEERN CC[C@@H](C)CON=C1CCCOC1 379354827 697836613 /nfs/dbraw/zinc/83/66/13/697836613.db2.gz JPSNSIUNXJFFER-SECBINFHSA-N 0 0 185.267 2.216 10 30 AEEERN CCC(=NN[C@H](C)CC#N)C1CC1 379357090 697838486 /nfs/dbraw/zinc/83/84/86/697838486.db2.gz QJUZSKJGQIFVEM-MRVPVSSYSA-N 0 0 179.267 2.054 10 30 AEEERN CCC(=NN[C@@H](C)CC#N)C1CC1 379357091 697838826 /nfs/dbraw/zinc/83/88/26/697838826.db2.gz QJUZSKJGQIFVEM-QMMMGPOBSA-N 0 0 179.267 2.054 10 30 AEEERN C#C[C@H](C)OC(=O)C=C(CC)CC 379359556 697840585 /nfs/dbraw/zinc/84/05/85/697840585.db2.gz YZUHLDUGQNNYHP-VIFPVBQESA-N 0 0 180.247 2.298 10 30 AEEERN C#C[C@@H](C)OC(=O)C=C(CC)CC 379359555 697840936 /nfs/dbraw/zinc/84/09/36/697840936.db2.gz YZUHLDUGQNNYHP-SECBINFHSA-N 0 0 180.247 2.298 10 30 AEEERN COCC(=NOCC(C)C)C1CC1 379360290 697841414 /nfs/dbraw/zinc/84/14/14/697841414.db2.gz BWXDWNMVGMIPKN-UHFFFAOYSA-N 0 0 185.267 2.071 10 30 AEEERN CCC(=O)OCC1(C#N)CCCC1 379361159 697842075 /nfs/dbraw/zinc/84/20/75/697842075.db2.gz CBYUHXZNQIMINC-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN CCON=C1C[C@H](OCC)C1(C)C 379361540 697842492 /nfs/dbraw/zinc/84/24/92/697842492.db2.gz CQKJXOLMJWTWKO-VIFPVBQESA-N 0 0 185.267 2.214 10 30 AEEERN CCON=Cc1c(F)cccc1F 379361218 697842497 /nfs/dbraw/zinc/84/24/97/697842497.db2.gz DREPFWPFTZRSRR-UHFFFAOYSA-N 0 0 185.173 2.335 10 30 AEEERN C=CCON=Cc1ccccc1F 379361430 697842731 /nfs/dbraw/zinc/84/27/31/697842731.db2.gz FFPLBXZQKJYDRR-UHFFFAOYSA-N 0 0 179.194 2.362 10 30 AEEERN N#CCCCC(=O)OC1CCCC1 379361982 697842756 /nfs/dbraw/zinc/84/27/56/697842756.db2.gz GGOWWBPSRRFIQM-UHFFFAOYSA-N 0 0 181.235 2.166 10 30 AEEERN CCON=C1C[C@@H](OCC)C1(C)C 379361539 697842792 /nfs/dbraw/zinc/84/27/92/697842792.db2.gz CQKJXOLMJWTWKO-SECBINFHSA-N 0 0 185.267 2.214 10 30 AEEERN C#CCCOC(=O)/C=C(/C)CCC 379362461 697843246 /nfs/dbraw/zinc/84/32/46/697843246.db2.gz HOGQBDHEEGJTAC-KTKRTIGZSA-N 0 0 180.247 2.299 10 30 AEEERN C#CCCOC(=O)/C=C(\C)CCC 379362462 697843268 /nfs/dbraw/zinc/84/32/68/697843268.db2.gz HOGQBDHEEGJTAC-MDZDMXLPSA-N 0 0 180.247 2.299 10 30 AEEERN FC(F)C1CC(=NOCC2CC2)C1 379362478 697843280 /nfs/dbraw/zinc/84/32/80/697843280.db2.gz HRAWHNRSJOKQKS-UHFFFAOYSA-N 0 0 189.205 2.444 10 30 AEEERN CC#CCCOC(=O)C[C@H](C)CC 379364544 697844273 /nfs/dbraw/zinc/84/42/73/697844273.db2.gz HZBQZFBNVADSLV-SNVBAGLBSA-N 0 0 182.263 2.379 10 30 AEEERN CC#CCCOC(=O)C[C@@H](C)CC 379364543 697844489 /nfs/dbraw/zinc/84/44/89/697844489.db2.gz HZBQZFBNVADSLV-JTQLQIEISA-N 0 0 182.263 2.379 10 30 AEEERN C#CCC1(OC(=O)CCC)CCC1 379365275 697844893 /nfs/dbraw/zinc/84/48/93/697844893.db2.gz OIVOXOUXNFGHSA-UHFFFAOYSA-N 0 0 180.247 2.276 10 30 AEEERN C#CCCOC(=O)c1cscc1C 379370781 697848121 /nfs/dbraw/zinc/84/81/21/697848121.db2.gz GTHBGLKIUANBCJ-UHFFFAOYSA-N 0 0 194.255 2.237 10 30 AEEERN C=CCCCSCc1cnn(C)n1 379371132 697848566 /nfs/dbraw/zinc/84/85/66/697848566.db2.gz HHIXBZAHFRHZIY-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN Cl/C=C/CON=Cc1cccnc1 379371351 697848574 /nfs/dbraw/zinc/84/85/74/697848574.db2.gz HTJITOMEMJTMQH-USOOYQTMSA-N 0 0 196.637 2.185 10 30 AEEERN Cl/C=C\CON=Cc1cccnc1 379371349 697848579 /nfs/dbraw/zinc/84/85/79/697848579.db2.gz HTJITOMEMJTMQH-JDHUXTHJSA-N 0 0 196.637 2.185 10 30 AEEERN CCON=CC1(OC)CCCCC1 379371201 697848681 /nfs/dbraw/zinc/84/86/81/697848681.db2.gz HORSSZLFUULGQY-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN CCON=C1CC(C)(C)OC1(C)C 379371441 697848685 /nfs/dbraw/zinc/84/86/85/697848685.db2.gz HZATZXMXHKCHQK-UHFFFAOYSA-N 0 0 185.267 2.356 10 30 AEEERN CCOCCON=C1CCCCC1 379371175 697848772 /nfs/dbraw/zinc/84/87/72/697848772.db2.gz HLXZWNFAYLFEBE-UHFFFAOYSA-N 0 0 185.267 2.360 10 30 AEEERN CCCC(C)(C)CC(=O)OCC#N 379372567 697849200 /nfs/dbraw/zinc/84/92/00/697849200.db2.gz JONNNYCTASGZKT-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C#CCCCSCc1noc(C)n1 379374053 697850369 /nfs/dbraw/zinc/85/03/69/697850369.db2.gz MHOJSPDAXPEURF-UHFFFAOYSA-N 0 0 196.275 2.025 10 30 AEEERN C=CCCCC(=O)OCC1(F)CC1 379374945 697851047 /nfs/dbraw/zinc/85/10/47/697851047.db2.gz NVVLQPCQKFFKQR-UHFFFAOYSA-N 0 0 186.226 2.388 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@H](C)CCC 379376030 697851485 /nfs/dbraw/zinc/85/14/85/697851485.db2.gz RMWRYSHGZVQUER-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H](C)CCC 379376031 697851619 /nfs/dbraw/zinc/85/16/19/697851619.db2.gz RMWRYSHGZVQUER-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H](C)CCC 379376029 697851637 /nfs/dbraw/zinc/85/16/37/697851637.db2.gz RMWRYSHGZVQUER-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@H](C)CCC 379376032 697851826 /nfs/dbraw/zinc/85/18/26/697851826.db2.gz RMWRYSHGZVQUER-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@H](C)CCC 379377026 697852585 /nfs/dbraw/zinc/85/25/85/697852585.db2.gz VYAANGYCFCECBV-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)C[C@@H](C)CCC 379377024 697852682 /nfs/dbraw/zinc/85/26/82/697852682.db2.gz VYAANGYCFCECBV-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@@H](C)CCC 379377025 697852711 /nfs/dbraw/zinc/85/27/11/697852711.db2.gz VYAANGYCFCECBV-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)C[C@H](C)CCC 379377023 697852931 /nfs/dbraw/zinc/85/29/31/697852931.db2.gz VYAANGYCFCECBV-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C=C[C@@H](C)NC(=O)/C=C(/C)C1CC1 379380953 697856944 /nfs/dbraw/zinc/85/69/44/697856944.db2.gz CODWZPZXJDUXDH-UFGYOYAJSA-N 0 0 179.263 2.033 10 30 AEEERN CCON=C[C@@H]1CCO[C@H](CC)C1 379377632 697853119 /nfs/dbraw/zinc/85/31/19/697853119.db2.gz YGNHZAZRWVQCJV-NXEZZACHSA-N 0 0 185.267 2.214 10 30 AEEERN CCON=C[C@H]1CCO[C@@H](CC)C1 379377633 697853206 /nfs/dbraw/zinc/85/32/06/697853206.db2.gz YGNHZAZRWVQCJV-UWVGGRQHSA-N 0 0 185.267 2.214 10 30 AEEERN CCON=C[C@@H]1CCO[C@@H](CC)C1 379377635 697853304 /nfs/dbraw/zinc/85/33/04/697853304.db2.gz YGNHZAZRWVQCJV-ZJUUUORDSA-N 0 0 185.267 2.214 10 30 AEEERN CCON=C[C@H]1CCO[C@H](CC)C1 379377634 697853355 /nfs/dbraw/zinc/85/33/55/697853355.db2.gz YGNHZAZRWVQCJV-VHSXEESVSA-N 0 0 185.267 2.214 10 30 AEEERN C#C[C@H](CC)OC(=O)C1(CC)CC1 379378183 697853673 /nfs/dbraw/zinc/85/36/73/697853673.db2.gz ACQZXMKSUTWVIR-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1(CC)CC1 379378186 697853718 /nfs/dbraw/zinc/85/37/18/697853718.db2.gz ACQZXMKSUTWVIR-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C=C[C@@H](C)OC(=O)C[C@@H]1C=CCC1 379378371 697853774 /nfs/dbraw/zinc/85/37/74/697853774.db2.gz AJCUUKQPVYQZGM-NXEZZACHSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)C[C@@H]1C=CCC1 379378382 697853881 /nfs/dbraw/zinc/85/38/81/697853881.db2.gz AJCUUKQPVYQZGM-VHSXEESVSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)C[C@H]1C=CCC1 379378378 697853895 /nfs/dbraw/zinc/85/38/95/697853895.db2.gz AJCUUKQPVYQZGM-UWVGGRQHSA-N 0 0 180.247 2.460 10 30 AEEERN C[C@H](CC#N)OC(=O)CC(C)(C)C 379378563 697854318 /nfs/dbraw/zinc/85/43/18/697854318.db2.gz APDUXSCCEURXAS-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C=CCOC(=O)C=C1CCSCC1 379378570 697854292 /nfs/dbraw/zinc/85/42/92/697854292.db2.gz ALJVUGXBBRPPTO-UHFFFAOYSA-N 0 0 198.287 2.169 10 30 AEEERN C[C@@H](CC#N)OC(=O)CC(C)(C)C 379378564 697854314 /nfs/dbraw/zinc/85/43/14/697854314.db2.gz APDUXSCCEURXAS-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@@H](C)OC(=O)C[C@H]1C=CCC1 379378387 697854472 /nfs/dbraw/zinc/85/44/72/697854472.db2.gz AJCUUKQPVYQZGM-ZJUUUORDSA-N 0 0 180.247 2.460 10 30 AEEERN CCCC1(C(=O)OCC#N)CCC1 379378496 697854476 /nfs/dbraw/zinc/85/44/76/697854476.db2.gz ALXFHSAVYMNFPZ-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H](C)C(C)C 379379098 697854867 /nfs/dbraw/zinc/85/48/67/697854867.db2.gz BESCMXHBJYUKQC-NXEZZACHSA-N 0 0 182.263 2.234 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1(C)CC1 379378967 697854902 /nfs/dbraw/zinc/85/49/02/697854902.db2.gz ANNDJTNHAAZJGQ-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@@H](C)C(C)C 379379099 697854945 /nfs/dbraw/zinc/85/49/45/697854945.db2.gz BESCMXHBJYUKQC-UWVGGRQHSA-N 0 0 182.263 2.234 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1(C)CC1 379378966 697854952 /nfs/dbraw/zinc/85/49/52/697854952.db2.gz ANNDJTNHAAZJGQ-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H](C)C(C)C 379379103 697855112 /nfs/dbraw/zinc/85/51/12/697855112.db2.gz BESCMXHBJYUKQC-VHSXEESVSA-N 0 0 182.263 2.234 10 30 AEEERN C#C[C@@H](CC)OC(=O)[C@H](C)C(C)C 379379107 697855142 /nfs/dbraw/zinc/85/51/42/697855142.db2.gz BESCMXHBJYUKQC-ZJUUUORDSA-N 0 0 182.263 2.234 10 30 AEEERN C=C(C)CNC(=O)/C=C/C(C)(C)C 379379386 697855419 /nfs/dbraw/zinc/85/54/19/697855419.db2.gz AWYSNAGWKPOJIB-VOTSOKGWSA-N 0 0 181.279 2.281 10 30 AEEERN C=C(C)CNC(=O)/C=C\C(C)(C)C 379379383 697855655 /nfs/dbraw/zinc/85/56/55/697855655.db2.gz AWYSNAGWKPOJIB-SREVYHEPSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCCC(=O)OC1(C2CC2)CC1 379380006 697856104 /nfs/dbraw/zinc/85/61/04/697856104.db2.gz BNSWBVPGAQTBEV-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN CC(COC(C)C)=NOC1CCC1 379380199 697856194 /nfs/dbraw/zinc/85/61/94/697856194.db2.gz DLHARZRWVBGCGZ-UHFFFAOYSA-N 0 0 185.267 2.356 10 30 AEEERN C=C(CC)CSc1cccc[n+]1[O-] 379380408 697856499 /nfs/dbraw/zinc/85/64/99/697856499.db2.gz BXSTULXIPHVELO-UHFFFAOYSA-N 0 0 195.287 2.378 10 30 AEEERN Cc1ccoc1C=NOCC(F)F 379380678 697856725 /nfs/dbraw/zinc/85/67/25/697856725.db2.gz FHYGUGWZTDXDDC-UHFFFAOYSA-N 0 0 189.161 2.204 10 30 AEEERN CC(C)OCCON=CC(C)(C)C 379381208 697856934 /nfs/dbraw/zinc/85/69/34/697856934.db2.gz CUUQLDIQWNSKPV-UHFFFAOYSA-N 0 0 187.283 2.460 10 30 AEEERN C=C[C@@H](C)NC(=O)/C=C(\C)C1CC1 379380950 697856968 /nfs/dbraw/zinc/85/69/68/697856968.db2.gz CODWZPZXJDUXDH-FCZSHJHJSA-N 0 0 179.263 2.033 10 30 AEEERN CC(C)=CC(=O)OCCCCC#N 379380858 697856983 /nfs/dbraw/zinc/85/69/83/697856983.db2.gz CJXLOOCPSFWYIT-UHFFFAOYSA-N 0 0 181.235 2.190 10 30 AEEERN C=C[C@H](C)NC(=O)/C=C(\C)C1CC1 379380951 697856992 /nfs/dbraw/zinc/85/69/92/697856992.db2.gz CODWZPZXJDUXDH-FLOXNTQESA-N 0 0 179.263 2.033 10 30 AEEERN CC(C)(C#N)OC(=O)CCC1CC1 379380790 697857014 /nfs/dbraw/zinc/85/70/14/697857014.db2.gz CHQONTMIJAXCRB-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN CCCCCC=NN1CCCC1=O 379381079 697857038 /nfs/dbraw/zinc/85/70/38/697857038.db2.gz GFTOTMSEQMWDDX-UHFFFAOYSA-N 0 0 182.267 2.175 10 30 AEEERN C=C[C@H](C)NC(=O)/C=C(/C)C1CC1 379380952 697857121 /nfs/dbraw/zinc/85/71/21/697857121.db2.gz CODWZPZXJDUXDH-FUOZMLNRSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@@H](C)OC(=O)CCCC#CC 379381878 697857644 /nfs/dbraw/zinc/85/76/44/697857644.db2.gz DHZZNOQKSIMNGM-SNVBAGLBSA-N 0 0 180.247 2.298 10 30 AEEERN C=C[C@H](C)OC(=O)CCCC#CC 379381877 697857681 /nfs/dbraw/zinc/85/76/81/697857681.db2.gz DHZZNOQKSIMNGM-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN C=C(C)CN(C)CC(F)(F)C(F)F 379381340 697857773 /nfs/dbraw/zinc/85/77/73/697857773.db2.gz CXQPNMVRVPNQHW-UHFFFAOYSA-N 0 0 199.191 2.395 10 30 AEEERN C=C[C@H](C)OC(=O)CCC(F)(F)F 379382208 697858101 /nfs/dbraw/zinc/85/81/01/697858101.db2.gz IGXXSLFQRZAKKP-LURJTMIESA-N 0 0 196.168 2.447 10 30 AEEERN CCc1cnccc1C(C)=NOC 379382020 697858187 /nfs/dbraw/zinc/85/81/87/697858187.db2.gz DLXWYJQEAKUUDW-UHFFFAOYSA-N 0 0 178.235 2.014 10 30 AEEERN CC[C@H](C#N)OC(=O)CC(C)(C)C 379382462 697858190 /nfs/dbraw/zinc/85/81/90/697858190.db2.gz FBUZNPURRBKBMK-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@@H](C)OC(=O)CCC(F)(F)F 379382209 697858261 /nfs/dbraw/zinc/85/82/61/697858261.db2.gz IGXXSLFQRZAKKP-ZCFIWIBFSA-N 0 0 196.168 2.447 10 30 AEEERN CC#CCCCCOC(=O)C1CC1 379382207 697858268 /nfs/dbraw/zinc/85/82/68/697858268.db2.gz IGTMRMDCJRBHGB-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN C#CCCOc1ccsc1C(C)=O 379382083 697858392 /nfs/dbraw/zinc/85/83/92/697858392.db2.gz HZJBHJZMRVIKCJ-UHFFFAOYSA-N 0 0 194.255 2.353 10 30 AEEERN C#C[C@H](C)OC(=O)CC[C@@H](C)CC 379382574 697858665 /nfs/dbraw/zinc/85/86/65/697858665.db2.gz FFVLYUOTYLMOMN-UWVGGRQHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)CC[C@H](C)CC 379382576 697858855 /nfs/dbraw/zinc/85/88/55/697858855.db2.gz FFVLYUOTYLMOMN-ZJUUUORDSA-N 0 0 182.263 2.378 10 30 AEEERN CC[C@@H](C#N)OC(=O)CC(C)(C)C 379382464 697858923 /nfs/dbraw/zinc/85/89/23/697858923.db2.gz FBUZNPURRBKBMK-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@@H](C)OC(=O)CC[C@H](C)CC 379382569 697858970 /nfs/dbraw/zinc/85/89/70/697858970.db2.gz FFVLYUOTYLMOMN-NXEZZACHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)C1(CCC)CC1 379383010 697858997 /nfs/dbraw/zinc/85/89/97/697858997.db2.gz JTZZCZWBEKAXMD-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H](C)OC(=O)CC[C@@H](C)CC 379382575 697859010 /nfs/dbraw/zinc/85/90/10/697859010.db2.gz FFVLYUOTYLMOMN-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@@H](C)OC(=O)C1(CCC)CC1 379383009 697859024 /nfs/dbraw/zinc/85/90/24/697859024.db2.gz JTZZCZWBEKAXMD-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C=CCNC(=O)/C(C)=C\C(C)(C)C 379383383 697859309 /nfs/dbraw/zinc/85/93/09/697859309.db2.gz KVAPAVNUDQKYOB-HJWRWDBZSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCNC(=O)/C(C)=C/C(C)(C)C 379383381 697859387 /nfs/dbraw/zinc/85/93/87/697859387.db2.gz KVAPAVNUDQKYOB-CMDGGOBGSA-N 0 0 181.279 2.281 10 30 AEEERN C#Cc1ccnn1CC/C=C/CC 379386113 697861755 /nfs/dbraw/zinc/86/17/55/697861755.db2.gz WNEQKSUVYSDEQG-AATRIKPKSA-N 0 0 174.247 2.221 10 30 AEEERN C[C@H](C#N)COC(=O)c1ccsc1 379386085 697861800 /nfs/dbraw/zinc/86/18/00/697861800.db2.gz WKKGOLXERZRZRS-SSDOTTSWSA-N 0 0 195.243 2.065 10 30 AEEERN C#Cc1ccnn1CC/C=C\CC 379386114 697861835 /nfs/dbraw/zinc/86/18/35/697861835.db2.gz WNEQKSUVYSDEQG-WAYWQWQTSA-N 0 0 174.247 2.221 10 30 AEEERN C[C@@H](C#N)COC(=O)c1ccsc1 379386086 697862132 /nfs/dbraw/zinc/86/21/32/697862132.db2.gz WKKGOLXERZRZRS-ZETCQYMHSA-N 0 0 195.243 2.065 10 30 AEEERN C=CCN(CC=C)Cc1ccoc1 379387233 697862457 /nfs/dbraw/zinc/86/24/57/697862457.db2.gz GYOZSNUDDWZUEK-UHFFFAOYSA-N 0 0 177.247 2.454 10 30 AEEERN C(=NNC1CCCC1)c1ccoc1 379387242 697862603 /nfs/dbraw/zinc/86/26/03/697862603.db2.gz GZRHWSDWIIRLIF-UHFFFAOYSA-N 0 0 178.235 2.146 10 30 AEEERN C[C@@]12C[C@@H]1CCCC2=NNC1CC1 379387505 697862850 /nfs/dbraw/zinc/86/28/50/697862850.db2.gz HNVNORSISOTHSX-GZMMTYOYSA-N 0 0 178.279 2.305 10 30 AEEERN C#CCCOC(=O)C1(CC)CCC1 379387538 697863080 /nfs/dbraw/zinc/86/30/80/697863080.db2.gz HQSPFUWOSLCCLE-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN C[C@H](C#N)OCCSCCC1CC1 379387524 697863217 /nfs/dbraw/zinc/86/32/17/697863217.db2.gz HPIUWRSVRFUVOV-SECBINFHSA-N 0 0 199.319 2.448 10 30 AEEERN C[C@]12C[C@H]1CCCC2=NNC1CC1 379387506 697863264 /nfs/dbraw/zinc/86/32/64/697863264.db2.gz HNVNORSISOTHSX-KCJUWKMLSA-N 0 0 178.279 2.305 10 30 AEEERN C[C@@H](C#N)OCCSCCC1CC1 379387525 697863268 /nfs/dbraw/zinc/86/32/68/697863268.db2.gz HPIUWRSVRFUVOV-VIFPVBQESA-N 0 0 199.319 2.448 10 30 AEEERN C#CC[C@@H](OC(=O)C(C)C)C(C)C 379387793 697863501 /nfs/dbraw/zinc/86/35/01/697863501.db2.gz IFULBQPVSPJFNZ-SNVBAGLBSA-N 0 0 182.263 2.234 10 30 AEEERN C=C(C)CCOC(=O)c1cncs1 379387775 697863577 /nfs/dbraw/zinc/86/35/77/697863577.db2.gz IFCKHHBEUDXPGB-UHFFFAOYSA-N 0 0 197.259 2.266 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H](F)C(C)C 379387987 697863606 /nfs/dbraw/zinc/86/36/06/697863606.db2.gz IPFMSYLWRALVRO-DTWKUNHWSA-N 0 0 188.242 2.488 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H](F)C(C)C 379387989 697863689 /nfs/dbraw/zinc/86/36/89/697863689.db2.gz IPFMSYLWRALVRO-RKDXNWHRSA-N 0 0 188.242 2.488 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H](F)C(C)C 379387986 697863749 /nfs/dbraw/zinc/86/37/49/697863749.db2.gz IPFMSYLWRALVRO-BDAKNGLRSA-N 0 0 188.242 2.488 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H](F)C(C)C 379387988 697863762 /nfs/dbraw/zinc/86/37/62/697863762.db2.gz IPFMSYLWRALVRO-IUCAKERBSA-N 0 0 188.242 2.488 10 30 AEEERN C#CC[C@H](OC(=O)C(C)C)C(C)C 379387792 697863777 /nfs/dbraw/zinc/86/37/77/697863777.db2.gz IFULBQPVSPJFNZ-JTQLQIEISA-N 0 0 182.263 2.234 10 30 AEEERN C=CCC(CC=C)C(=O)OC1CC1 379388152 697863809 /nfs/dbraw/zinc/86/38/09/697863809.db2.gz IYWULXPISCWMPV-UHFFFAOYSA-N 0 0 180.247 2.460 10 30 AEEERN C#C[C@H](CC)OC(=O)CCC(C)C 379388855 697864589 /nfs/dbraw/zinc/86/45/89/697864589.db2.gz KIIKRFVWJJPSCT-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN CC(C)(C#N)CC(=O)OC1CCC1 379388979 697864764 /nfs/dbraw/zinc/86/47/64/697864764.db2.gz KQLNJBLLIYZAAZ-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN C#C[C@@H](CC)OC(=O)CCC(C)C 379388854 697864870 /nfs/dbraw/zinc/86/48/70/697864870.db2.gz KIIKRFVWJJPSCT-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C=C\C1CC1 379390021 697865623 /nfs/dbraw/zinc/86/56/23/697865623.db2.gz MUTIWKHPVHTQND-ATJFRQLMSA-N 0 0 180.247 2.460 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C=C\C1CC1 379390022 697865684 /nfs/dbraw/zinc/86/56/84/697865684.db2.gz MUTIWKHPVHTQND-NMTCXDENSA-N 0 0 180.247 2.460 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C=C/C1CC1 379390023 697865784 /nfs/dbraw/zinc/86/57/84/697865784.db2.gz MUTIWKHPVHTQND-UCUJLANTSA-N 0 0 180.247 2.460 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C=C/C1CC1 379390024 697865804 /nfs/dbraw/zinc/86/58/04/697865804.db2.gz MUTIWKHPVHTQND-XCODYQFDSA-N 0 0 180.247 2.460 10 30 AEEERN C=C(C)CNN=C[C@@]1(C)CCCS1 379390931 697866112 /nfs/dbraw/zinc/86/61/12/697866112.db2.gz OQYPFASLJORIAZ-SNVBAGLBSA-N 0 0 198.335 2.424 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C/C(C)(C)C 379390943 697866127 /nfs/dbraw/zinc/86/61/27/697866127.db2.gz ORSXTFWQWONODU-FLOXNTQESA-N 0 0 180.247 2.154 10 30 AEEERN C=C(C)CNN=C[C@]1(C)CCCS1 379390930 697866213 /nfs/dbraw/zinc/86/62/13/697866213.db2.gz OQYPFASLJORIAZ-JTQLQIEISA-N 0 0 198.335 2.424 10 30 AEEERN C#C[C@@H](C)OC(=O)/C=C/C(C)(C)C 379390942 697866260 /nfs/dbraw/zinc/86/62/60/697866260.db2.gz ORSXTFWQWONODU-FCZSHJHJSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@@H](C)OC(=O)/C=C\C(C)(C)C 379390945 697866272 /nfs/dbraw/zinc/86/62/72/697866272.db2.gz ORSXTFWQWONODU-UFGYOYAJSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@H](C)OC(=O)/C=C\C(C)(C)C 379390944 697866239 /nfs/dbraw/zinc/86/62/39/697866239.db2.gz ORSXTFWQWONODU-FUOZMLNRSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@@H](CC)OC(=O)CC1CCC1 379391539 697866518 /nfs/dbraw/zinc/86/65/18/697866518.db2.gz PUXXHGUOUXXKHI-JTQLQIEISA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@H](CC)OC(=O)CC1CCC1 379391540 697866632 /nfs/dbraw/zinc/86/66/32/697866632.db2.gz PUXXHGUOUXXKHI-SNVBAGLBSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@H](CC)OC(=O)C1=CCCC1 379391702 697867216 /nfs/dbraw/zinc/86/72/16/697867216.db2.gz QGKHPYFOSGWWKN-SNVBAGLBSA-N 0 0 178.231 2.052 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1=CCCC1 379391701 697867484 /nfs/dbraw/zinc/86/74/84/697867484.db2.gz QGKHPYFOSGWWKN-JTQLQIEISA-N 0 0 178.231 2.052 10 30 AEEERN C#CCOC(=O)CC1(C)CCCC1 379392156 697867985 /nfs/dbraw/zinc/86/79/85/697867985.db2.gz RFFPOTODRYVYAD-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN C=C(C)CCON=C(N)C(F)(F)F 379393517 697868961 /nfs/dbraw/zinc/86/89/61/697868961.db2.gz UYWUBNRGWBGFAJ-UHFFFAOYSA-N 0 0 196.172 2.013 10 30 AEEERN C#CCOC(=O)/C(C)=C\C(C)(C)C 379393228 697868978 /nfs/dbraw/zinc/86/89/78/697868978.db2.gz UEZOKUCIASTTFF-HJWRWDBZSA-N 0 0 180.247 2.155 10 30 AEEERN C#CCOC(=O)/C(C)=C/C(C)(C)C 379393227 697869040 /nfs/dbraw/zinc/86/90/40/697869040.db2.gz UEZOKUCIASTTFF-CMDGGOBGSA-N 0 0 180.247 2.155 10 30 AEEERN CC1(CC(=O)OC(C)(C)C#N)CC1 379394472 697869689 /nfs/dbraw/zinc/86/96/89/697869689.db2.gz XJVICFQOSKNVCQ-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN C1COCC(=NOC2CCCC2)C1 379395117 697870400 /nfs/dbraw/zinc/87/04/00/697870400.db2.gz YPEHMLWNWSOUII-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN CC(COC(C)C)=NOCC(C)C 379395608 697871076 /nfs/dbraw/zinc/87/10/76/697871076.db2.gz BRJNPSYDZFNJGJ-UHFFFAOYSA-N 0 0 187.283 2.460 10 30 AEEERN CC(=NN[C@H](C)CC#N)C1CCC1 379396530 697871494 /nfs/dbraw/zinc/87/14/94/697871494.db2.gz HQFDSEJKHASXTH-MRVPVSSYSA-N 0 0 179.267 2.054 10 30 AEEERN CO[C@@H](C)C(C)=NOCCC1CC1 379396576 697871534 /nfs/dbraw/zinc/87/15/34/697871534.db2.gz IBSWACWDXFFSQT-VIFPVBQESA-N 0 0 185.267 2.214 10 30 AEEERN CO[C@H](C)C(C)=NOCCC1CC1 379396575 697871564 /nfs/dbraw/zinc/87/15/64/697871564.db2.gz IBSWACWDXFFSQT-SECBINFHSA-N 0 0 185.267 2.214 10 30 AEEERN C=CCCOC(=O)/C=C(/C)C1CC1 379396475 697871663 /nfs/dbraw/zinc/87/16/63/697871663.db2.gz CSQKDMAWLSFKJG-HJWRWDBZSA-N 0 0 180.247 2.462 10 30 AEEERN CC(=NN[C@@H](C)CC#N)C1CCC1 379396531 697871685 /nfs/dbraw/zinc/87/16/85/697871685.db2.gz HQFDSEJKHASXTH-QMMMGPOBSA-N 0 0 179.267 2.054 10 30 AEEERN C=CCCOC(=O)/C=C(\C)C1CC1 379396473 697871749 /nfs/dbraw/zinc/87/17/49/697871749.db2.gz CSQKDMAWLSFKJG-CMDGGOBGSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCC1(C(=O)OC2CC2)CCC1 379397110 697872291 /nfs/dbraw/zinc/87/22/91/697872291.db2.gz DIIWXRSRIXCUTM-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN C#CCCOC(=O)C(C)(C)CC=C 379397394 697872315 /nfs/dbraw/zinc/87/23/15/697872315.db2.gz FMSLSUXDRTYNPQ-UHFFFAOYSA-N 0 0 180.247 2.155 10 30 AEEERN C=CCCCSc1nncn1CC 379398089 697872797 /nfs/dbraw/zinc/87/27/97/697872797.db2.gz FFKVDDMNYHPLKX-UHFFFAOYSA-N 0 0 197.307 2.356 10 30 AEEERN C#CCON=C(C)c1ccc(C)s1 379398115 697872922 /nfs/dbraw/zinc/87/29/22/697872922.db2.gz FHNRAZXUAMXXIO-UHFFFAOYSA-N 0 0 193.271 2.430 10 30 AEEERN C#CCON=C1CC[C@H]1C(C)(C)C 379398513 697873374 /nfs/dbraw/zinc/87/33/74/697873374.db2.gz FTEASQFTLOLPPX-SECBINFHSA-N 0 0 179.263 2.448 10 30 AEEERN C#CCON=C1CC[C@@H]1C(C)(C)C 379398516 697873541 /nfs/dbraw/zinc/87/35/41/697873541.db2.gz FTEASQFTLOLPPX-VIFPVBQESA-N 0 0 179.263 2.448 10 30 AEEERN C#CCOC(=O)[C@H](C)CC(C)(C)C 379399073 697873883 /nfs/dbraw/zinc/87/38/83/697873883.db2.gz GKZBGQGQMFMDNU-SECBINFHSA-N 0 0 182.263 2.235 10 30 AEEERN C#CCOC(=O)[C@@H](C)CC(C)(C)C 379399074 697874089 /nfs/dbraw/zinc/87/40/89/697874089.db2.gz GKZBGQGQMFMDNU-VIFPVBQESA-N 0 0 182.263 2.235 10 30 AEEERN C#C[C@H](C)OC(=O)CCC1CCC1 379399312 697874494 /nfs/dbraw/zinc/87/44/94/697874494.db2.gz GUBKAGUATGJPII-VIFPVBQESA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H](C)OC(=O)CCC1CCC1 379399311 697874562 /nfs/dbraw/zinc/87/45/62/697874562.db2.gz GUBKAGUATGJPII-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN CCCNN=Cc1ccc(C)cc1 379399559 697874655 /nfs/dbraw/zinc/87/46/55/697874655.db2.gz HFMLRORYZDLOAT-UHFFFAOYSA-N 0 0 176.263 2.329 10 30 AEEERN CC[C@H]1CCC1=NOCCCOC 379399851 697874681 /nfs/dbraw/zinc/87/46/81/697874681.db2.gz HQHLTXSEPCNLPQ-VIFPVBQESA-N 0 0 185.267 2.216 10 30 AEEERN CC[C@@H]1CCC1=NOCCCOC 379399850 697874742 /nfs/dbraw/zinc/87/47/42/697874742.db2.gz HQHLTXSEPCNLPQ-SECBINFHSA-N 0 0 185.267 2.216 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC1(C)C 379401280 697875557 /nfs/dbraw/zinc/87/55/57/697875557.db2.gz KMHGOCNPZPLVSB-QMMMGPOBSA-N 0 0 179.267 2.054 10 30 AEEERN C[C@H](CC#N)NN=C1CCC1(C)C 379401279 697875886 /nfs/dbraw/zinc/87/58/86/697875886.db2.gz KMHGOCNPZPLVSB-MRVPVSSYSA-N 0 0 179.267 2.054 10 30 AEEERN C#C[C@H](CC)OC(=O)c1ccsc1 379402411 697877086 /nfs/dbraw/zinc/87/70/86/697877086.db2.gz MZAKUMQIQKXYPM-SECBINFHSA-N 0 0 194.255 2.317 10 30 AEEERN CC[C@H](CC#N)OC(=O)/C=C\SC 379402501 697876815 /nfs/dbraw/zinc/87/68/15/697876815.db2.gz NGPHEGJLEYYWJY-GRKOMRHMSA-N 0 0 199.275 2.099 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1ccsc1 379402412 697876916 /nfs/dbraw/zinc/87/69/16/697876916.db2.gz MZAKUMQIQKXYPM-VIFPVBQESA-N 0 0 194.255 2.317 10 30 AEEERN CC[C@@H](CC#N)OC(=O)/C=C/SC 379402502 697877027 /nfs/dbraw/zinc/87/70/27/697877027.db2.gz NGPHEGJLEYYWJY-IVGLGHLBSA-N 0 0 199.275 2.099 10 30 AEEERN CC[C@H](CC#N)OC(=O)/C=C/SC 379402504 697877040 /nfs/dbraw/zinc/87/70/40/697877040.db2.gz NGPHEGJLEYYWJY-WVXIBAHESA-N 0 0 199.275 2.099 10 30 AEEERN CC[C@@H](CC#N)OC(=O)/C=C\SC 379402503 697877056 /nfs/dbraw/zinc/87/70/56/697877056.db2.gz NGPHEGJLEYYWJY-TVSKSKRASA-N 0 0 199.275 2.099 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C1CCC1 379402829 697877558 /nfs/dbraw/zinc/87/75/58/697877558.db2.gz NXFOWRIAZWITJE-VIFPVBQESA-N 0 0 181.235 2.022 10 30 AEEERN C[C@@H](C#N)COC(=O)CC(C)(C)C 379402759 697877661 /nfs/dbraw/zinc/87/76/61/697877661.db2.gz NSHSXCDTBCQURM-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)C(=O)OCC(C)(C)CC#N 379402550 697877664 /nfs/dbraw/zinc/87/76/64/697877664.db2.gz NJMRUYMAOBUALR-UHFFFAOYSA-N 0 0 183.251 2.125 10 30 AEEERN C[C@H](C#N)COC(=O)CC(C)(C)C 379402758 697877686 /nfs/dbraw/zinc/87/76/86/697877686.db2.gz NSHSXCDTBCQURM-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN CC[C@H](CC#N)OC(=O)C1CCC1 379402828 697877700 /nfs/dbraw/zinc/87/77/00/697877700.db2.gz NXFOWRIAZWITJE-SECBINFHSA-N 0 0 181.235 2.022 10 30 AEEERN C#CCON=C1CCC[C@@H]2C[C@]12C 379403399 697877964 /nfs/dbraw/zinc/87/79/64/697877964.db2.gz PGOFMGNHJOWBRK-KOLCDFICSA-N 0 0 177.247 2.202 10 30 AEEERN C#CCON=C1CCC[C@H]2C[C@@]12C 379403398 697878176 /nfs/dbraw/zinc/87/81/76/697878176.db2.gz PGOFMGNHJOWBRK-GXSJLCMTSA-N 0 0 177.247 2.202 10 30 AEEERN C#C[C@@H](CC)OC(=O)CCC1CC1 379403666 697878282 /nfs/dbraw/zinc/87/82/82/697878282.db2.gz PWDINYVYDCJDAX-JTQLQIEISA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@H](CC)OC(=O)CCC1CC1 379403667 697878347 /nfs/dbraw/zinc/87/83/47/697878347.db2.gz PWDINYVYDCJDAX-SNVBAGLBSA-N 0 0 180.247 2.132 10 30 AEEERN COC[C@H](C)C=NOC1CCCC1 379403936 697878656 /nfs/dbraw/zinc/87/86/56/697878656.db2.gz QJUJAPZQWGMHEI-SECBINFHSA-N 0 0 185.267 2.214 10 30 AEEERN COC[C@@H](C)C=NOC1CCCC1 379403937 697878715 /nfs/dbraw/zinc/87/87/15/697878715.db2.gz QJUJAPZQWGMHEI-VIFPVBQESA-N 0 0 185.267 2.214 10 30 AEEERN CCC[C@H](C)C=NN1CCCC1=O 379411459 697887212 /nfs/dbraw/zinc/88/72/12/697887212.db2.gz IEJGJFLCPOJLBZ-VIFPVBQESA-N 0 0 182.267 2.031 10 30 AEEERN C=C[C@@H](C)OC(=O)Cc1cccs1 379404110 697879059 /nfs/dbraw/zinc/87/90/59/697879059.db2.gz QUXPZABPZGUJMZ-MRVPVSSYSA-N 0 0 196.271 2.408 10 30 AEEERN C=C[C@H](C)OC(=O)Cc1cccs1 379404111 697879115 /nfs/dbraw/zinc/87/91/15/697879115.db2.gz QUXPZABPZGUJMZ-QMMMGPOBSA-N 0 0 196.271 2.408 10 30 AEEERN CCCC(CC)=NN[C@@H](C)CC#N 379404346 697879130 /nfs/dbraw/zinc/87/91/30/697879130.db2.gz RINZLVWADSTWGX-VIFPVBQESA-N 0 0 181.283 2.444 10 30 AEEERN CCCC(CC)=NN[C@H](C)CC#N 379404345 697879319 /nfs/dbraw/zinc/87/93/19/697879319.db2.gz RINZLVWADSTWGX-SECBINFHSA-N 0 0 181.283 2.444 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@@H](C)CC(=C)C 379404893 697879783 /nfs/dbraw/zinc/87/97/83/697879783.db2.gz SBSPZQUNRQUYCB-VHSXEESVSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)CC(=C)C 379404894 697879786 /nfs/dbraw/zinc/87/97/86/697879786.db2.gz SBSPZQUNRQUYCB-ZJUUUORDSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@@H](C)OC(=O)[C@H](C)CC(=C)C 379404891 697879896 /nfs/dbraw/zinc/87/98/96/697879896.db2.gz SBSPZQUNRQUYCB-NXEZZACHSA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@H](C)OC(=O)[C@@H](C)CC(=C)C 379404892 697879962 /nfs/dbraw/zinc/87/99/62/697879962.db2.gz SBSPZQUNRQUYCB-UWVGGRQHSA-N 0 0 180.247 2.154 10 30 AEEERN C=CC[C@H](C)NC(=O)/C=C\C1CC1 379406573 697881297 /nfs/dbraw/zinc/88/12/97/697881297.db2.gz WQGHHRRKHBDYBC-FUOZMLNRSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC[C@@H](C)NC(=O)/C=C/C1CC1 379406571 697881414 /nfs/dbraw/zinc/88/14/14/697881414.db2.gz WQGHHRRKHBDYBC-FCZSHJHJSA-N 0 0 179.263 2.033 10 30 AEEERN C/C=C(/C)C(=O)O[C@@H](CC)CC#N 379406484 697881459 /nfs/dbraw/zinc/88/14/59/697881459.db2.gz WLHKSJLEKKNOQK-OTOXVQDCSA-N 0 0 181.235 2.188 10 30 AEEERN C/C=C(\C)C(=O)O[C@@H](CC)CC#N 379406485 697881505 /nfs/dbraw/zinc/88/15/05/697881505.db2.gz WLHKSJLEKKNOQK-SGDMMICCSA-N 0 0 181.235 2.188 10 30 AEEERN C/C=C(\C)C(=O)O[C@H](CC)CC#N 379406487 697881559 /nfs/dbraw/zinc/88/15/59/697881559.db2.gz WLHKSJLEKKNOQK-VGANXODHSA-N 0 0 181.235 2.188 10 30 AEEERN C=CC[C@@H](C)NC(=O)/C=C\C1CC1 379406574 697881574 /nfs/dbraw/zinc/88/15/74/697881574.db2.gz WQGHHRRKHBDYBC-UFGYOYAJSA-N 0 0 179.263 2.033 10 30 AEEERN C=CC[C@H](C)NC(=O)/C=C/C1CC1 379406572 697881597 /nfs/dbraw/zinc/88/15/97/697881597.db2.gz WQGHHRRKHBDYBC-FLOXNTQESA-N 0 0 179.263 2.033 10 30 AEEERN C/C=C(/C)C(=O)O[C@H](CC)CC#N 379406486 697881610 /nfs/dbraw/zinc/88/16/10/697881610.db2.gz WLHKSJLEKKNOQK-USYJTPIQSA-N 0 0 181.235 2.188 10 30 AEEERN CC(C)CCC(=O)OC(C)(C)C#N 379406602 697881640 /nfs/dbraw/zinc/88/16/40/697881640.db2.gz WSBYZUULXMJMIZ-UHFFFAOYSA-N 0 0 183.251 2.268 10 30 AEEERN CC(C)C(=O)OC1(CC#N)CCC1 379406474 697881645 /nfs/dbraw/zinc/88/16/45/697881645.db2.gz WKFYJSJPGFXXTQ-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN CCCCC(=O)OCC(C)(C)C#N 379406857 697881872 /nfs/dbraw/zinc/88/18/72/697881872.db2.gz XJFQVBJESIEXKM-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C#Cc1ccnn1CCCC(C)C 379407023 697882077 /nfs/dbraw/zinc/88/20/77/697882077.db2.gz XTRAIUZNGKHGHV-UHFFFAOYSA-N 0 0 176.263 2.301 10 30 AEEERN C=C(C)CNN=Cc1ccc(C)o1 379407512 697882512 /nfs/dbraw/zinc/88/25/12/697882512.db2.gz YVDIPRCIRAEZOU-UHFFFAOYSA-N 0 0 178.235 2.088 10 30 AEEERN C=C[C@H](C)OC(=O)C(C)(C)C(F)F 379407723 697883115 /nfs/dbraw/zinc/88/31/15/697883115.db2.gz ZJALPDAHUKZGEU-LURJTMIESA-N 0 0 192.205 2.395 10 30 AEEERN C=C[C@@H](C)OC(=O)Cc1ccsc1 379408000 697883190 /nfs/dbraw/zinc/88/31/90/697883190.db2.gz ZZLCTYBXIRGWKN-MRVPVSSYSA-N 0 0 196.271 2.408 10 30 AEEERN C=C[C@H](C)OC(=O)Cc1ccsc1 379408001 697883297 /nfs/dbraw/zinc/88/32/97/697883297.db2.gz ZZLCTYBXIRGWKN-QMMMGPOBSA-N 0 0 196.271 2.408 10 30 AEEERN C=C[C@@H](C)OC(=O)C(C)(C)C(F)F 379407724 697883413 /nfs/dbraw/zinc/88/34/13/697883413.db2.gz ZJALPDAHUKZGEU-ZCFIWIBFSA-N 0 0 192.205 2.395 10 30 AEEERN CC(C)(C)C(=O)OCCCCC#N 379408536 697883647 /nfs/dbraw/zinc/88/36/47/697883647.db2.gz BABLYDPEDASEHW-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C=C(C)COC(=O)c1csnc1C 379409259 697884185 /nfs/dbraw/zinc/88/41/85/697884185.db2.gz CNEJAGVYFFFKFJ-UHFFFAOYSA-N 0 0 197.259 2.184 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCC(F)F 379408882 697884299 /nfs/dbraw/zinc/88/42/99/697884299.db2.gz BVYCBFGRBJRVCX-ZETCQYMHSA-N 0 0 192.205 2.397 10 30 AEEERN COCCON=C1CCC(C)(C)C1 379409219 697884318 /nfs/dbraw/zinc/88/43/18/697884318.db2.gz CKIXJFORZOUUBK-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CC/C=C(\C)C(=O)OCCCC#N 379409201 697884336 /nfs/dbraw/zinc/88/43/36/697884336.db2.gz CJJJTXVWHHKMDI-RMKNXTFCSA-N 0 0 181.235 2.190 10 30 AEEERN CC/C=C(/C)C(=O)OCCCC#N 379409202 697884432 /nfs/dbraw/zinc/88/44/32/697884432.db2.gz CJJJTXVWHHKMDI-TWGQIWQCSA-N 0 0 181.235 2.190 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCC(F)F 379408881 697884488 /nfs/dbraw/zinc/88/44/88/697884488.db2.gz BVYCBFGRBJRVCX-SSDOTTSWSA-N 0 0 192.205 2.397 10 30 AEEERN CC(C)CC(C)(C)C(=O)OCC#N 379408918 697884539 /nfs/dbraw/zinc/88/45/39/697884539.db2.gz BZECYKDCYBUCTI-UHFFFAOYSA-N 0 0 183.251 2.125 10 30 AEEERN C=C(C)CN(C)C(=O)/C(=C\C)CC 379409702 697884940 /nfs/dbraw/zinc/88/49/40/697884940.db2.gz DMOBHDIPNGDIOR-POHAHGRESA-N 0 0 181.279 2.377 10 30 AEEERN C=C(C)CN(C)C(=O)/C(=C/C)CC 379409703 697884946 /nfs/dbraw/zinc/88/49/46/697884946.db2.gz DMOBHDIPNGDIOR-UXBLZVDNSA-N 0 0 181.279 2.377 10 30 AEEERN COCCCON=Cc1cccs1 379410630 697885867 /nfs/dbraw/zinc/88/58/67/697885867.db2.gz GLUGDLYRSGLMLB-UHFFFAOYSA-N 0 0 199.275 2.135 10 30 AEEERN CC[C@@H]1CCC1=NN[C@@H](C)CC#N 379410620 697885891 /nfs/dbraw/zinc/88/58/91/697885891.db2.gz GKUIESSBVIBMKY-DTWKUNHWSA-N 0 0 179.267 2.054 10 30 AEEERN CC[C@H]1CCC1=NN[C@@H](C)CC#N 379410621 697885922 /nfs/dbraw/zinc/88/59/22/697885922.db2.gz GKUIESSBVIBMKY-IUCAKERBSA-N 0 0 179.267 2.054 10 30 AEEERN CC[C@@H]1CCC1=NN[C@H](C)CC#N 379410622 697886010 /nfs/dbraw/zinc/88/60/10/697886010.db2.gz GKUIESSBVIBMKY-RKDXNWHRSA-N 0 0 179.267 2.054 10 30 AEEERN CC[C@H]1CCC1=NN[C@H](C)CC#N 379410619 697886093 /nfs/dbraw/zinc/88/60/93/697886093.db2.gz GKUIESSBVIBMKY-BDAKNGLRSA-N 0 0 179.267 2.054 10 30 AEEERN CC(C)(C)CN(CCF)CCC#N 379410737 697886195 /nfs/dbraw/zinc/88/61/95/697886195.db2.gz GSDVAAVUZMPXBB-UHFFFAOYSA-N 0 0 186.274 2.218 10 30 AEEERN CC(C)CON=CC[C@@H]1CCOC1 379411146 697886642 /nfs/dbraw/zinc/88/66/42/697886642.db2.gz HOXYZINZFWMCNB-SNVBAGLBSA-N 0 0 185.267 2.071 10 30 AEEERN CC(C)CON=CC[C@H]1CCOC1 379411145 697886738 /nfs/dbraw/zinc/88/67/38/697886738.db2.gz HOXYZINZFWMCNB-JTQLQIEISA-N 0 0 185.267 2.071 10 30 AEEERN CCC[C@@H](C)C=NN1CCCC1=O 379411458 697887206 /nfs/dbraw/zinc/88/72/06/697887206.db2.gz IEJGJFLCPOJLBZ-SECBINFHSA-N 0 0 182.267 2.031 10 30 AEEERN CCC(CC)NN=C[C@@H](C)COC 379414272 697890148 /nfs/dbraw/zinc/89/01/48/697890148.db2.gz NSPSMXZDFKBZER-SECBINFHSA-N 0 0 186.299 2.033 10 30 AEEERN CCC(CC)NN=C[C@H](C)COC 379414273 697890209 /nfs/dbraw/zinc/89/02/09/697890209.db2.gz NSPSMXZDFKBZER-VIFPVBQESA-N 0 0 186.299 2.033 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cnc(C)s1 379415880 697891177 /nfs/dbraw/zinc/89/11/77/697891177.db2.gz QJGLMAMPERJRKJ-ZCFIWIBFSA-N 0 0 197.259 2.183 10 30 AEEERN C=C[C@H](C)OC(=O)c1cnc(C)s1 379415879 697891466 /nfs/dbraw/zinc/89/14/66/697891466.db2.gz QJGLMAMPERJRKJ-LURJTMIESA-N 0 0 197.259 2.183 10 30 AEEERN C[C@H](CC#N)OC(=O)c1cccs1 379416581 697892218 /nfs/dbraw/zinc/89/22/18/697892218.db2.gz RYLPCHSSMOJPKU-SSDOTTSWSA-N 0 0 195.243 2.207 10 30 AEEERN C[C@@H](CC#N)OC(=O)c1cccs1 379416582 697892410 /nfs/dbraw/zinc/89/24/10/697892410.db2.gz RYLPCHSSMOJPKU-ZETCQYMHSA-N 0 0 195.243 2.207 10 30 AEEERN C/C=C(\CC)C(=O)OC(C)(C)C#N 379417191 697892755 /nfs/dbraw/zinc/89/27/55/697892755.db2.gz UCIFZNGNNFMTSY-VMPITWQZSA-N 0 0 181.235 2.188 10 30 AEEERN C/C=C(/CC)C(=O)OC(C)(C)C#N 379417192 697892996 /nfs/dbraw/zinc/89/29/96/697892996.db2.gz UCIFZNGNNFMTSY-YVMONPNESA-N 0 0 181.235 2.188 10 30 AEEERN C=CCCC(=O)O[C@H](C#N)C(C)C 379419212 697894521 /nfs/dbraw/zinc/89/45/21/697894521.db2.gz XQCIFGLMZMQAPC-SECBINFHSA-N 0 0 181.235 2.044 10 30 AEEERN C#CCCCC(=O)OCC(C)(C)F 379419467 697894582 /nfs/dbraw/zinc/89/45/82/697894582.db2.gz YGRWTHWLJIFDKF-UHFFFAOYSA-N 0 0 186.226 2.081 10 30 AEEERN C=CCCC(=O)O[C@@H](C#N)C(C)C 379419213 697894637 /nfs/dbraw/zinc/89/46/37/697894637.db2.gz XQCIFGLMZMQAPC-VIFPVBQESA-N 0 0 181.235 2.044 10 30 AEEERN C#CCN(C)C(=O)C(C)(C)C(C)(C)C 379580213 697901281 /nfs/dbraw/zinc/90/12/81/697901281.db2.gz YLWDSLOZTKEBTF-UHFFFAOYSA-N 0 0 195.306 2.150 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@H]1C1CCC1 381838183 697914138 /nfs/dbraw/zinc/91/41/38/697914138.db2.gz CGXNDYWLGNZTMF-VHSXEESVSA-N 0 0 180.247 2.152 10 30 AEEERN C#Cc1cccc(NCc2cocn2)c1 379829513 697909958 /nfs/dbraw/zinc/90/99/58/697909958.db2.gz ZHQQEBFVBQTMRM-UHFFFAOYSA-N 0 0 198.225 2.268 10 30 AEEERN C=CCCNc1cnn(C)c1C1CC1 381559416 697912859 /nfs/dbraw/zinc/91/28/59/697912859.db2.gz FBZKQDYQQWUBBT-UHFFFAOYSA-N 0 0 191.278 2.286 10 30 AEEERN C=CCNN=C(C)C1CCCC1 381831377 697913500 /nfs/dbraw/zinc/91/35/00/697913500.db2.gz CZYSCBASPVLLFF-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCCOC(=O)/C(C)=C\C 381841016 697913892 /nfs/dbraw/zinc/91/38/92/697913892.db2.gz DMDOPNKEKJBLCQ-YVMONPNESA-N 0 0 154.209 2.072 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cccs1 381860978 697915023 /nfs/dbraw/zinc/91/50/23/697915023.db2.gz QKJWSUGMSOHCTO-SSDOTTSWSA-N 0 0 182.244 2.479 10 30 AEEERN C=C[C@H](C)OC(=O)c1cccs1 381860980 697915258 /nfs/dbraw/zinc/91/52/58/697915258.db2.gz QKJWSUGMSOHCTO-ZETCQYMHSA-N 0 0 182.244 2.479 10 30 AEEERN C=C(C)CNN=C1CC[C@@H]1CC 381921963 697916131 /nfs/dbraw/zinc/91/61/31/697916131.db2.gz LNHQBTWNZWVLSB-VIFPVBQESA-N 0 0 166.268 2.328 10 30 AEEERN C=C(C)CNN=C1CC[C@H]1CC 381921962 697916135 /nfs/dbraw/zinc/91/61/35/697916135.db2.gz LNHQBTWNZWVLSB-SECBINFHSA-N 0 0 166.268 2.328 10 30 AEEERN Cl/C=C\CON=Cc1ccco1 381909034 697916246 /nfs/dbraw/zinc/91/62/46/697916246.db2.gz FWNOSJHSNDLYIE-PTTLXOSTSA-N 0 0 185.610 2.383 10 30 AEEERN Cl/C=C/CON=Cc1ccco1 381908971 697916263 /nfs/dbraw/zinc/91/62/63/697916263.db2.gz FWNOSJHSNDLYIE-JOXKIINKSA-N 0 0 185.610 2.383 10 30 AEEERN C=CC[C@H](CC)NC(=O)/C=C/C 381975220 697916652 /nfs/dbraw/zinc/91/66/52/697916652.db2.gz CPFOTLNERDILLJ-QRJSTWQJSA-N 0 0 167.252 2.033 10 30 AEEERN C=CC[C@@H](CC)NC(=O)/C=C/C 381975222 697916656 /nfs/dbraw/zinc/91/66/56/697916656.db2.gz CPFOTLNERDILLJ-WHXYTISESA-N 0 0 167.252 2.033 10 30 AEEERN C=CC[C@H](CC)NC(=O)/C=C\C 381975221 697916667 /nfs/dbraw/zinc/91/66/67/697916667.db2.gz CPFOTLNERDILLJ-RDOCRHDPSA-N 0 0 167.252 2.033 10 30 AEEERN CCOCCON=C1CC[C@@H](C)C1 381975810 697916670 /nfs/dbraw/zinc/91/66/70/697916670.db2.gz ACYXHLWXMUQTTF-SECBINFHSA-N 0 0 185.267 2.216 10 30 AEEERN C=CC[C@@H](CC)NC(=O)/C=C\C 381975219 697916673 /nfs/dbraw/zinc/91/66/73/697916673.db2.gz CPFOTLNERDILLJ-BZJXQOFCSA-N 0 0 167.252 2.033 10 30 AEEERN CCOCCON=C1CC[C@H](C)C1 381975811 697916730 /nfs/dbraw/zinc/91/67/30/697916730.db2.gz ACYXHLWXMUQTTF-VIFPVBQESA-N 0 0 185.267 2.216 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CCCCC 381984105 697917011 /nfs/dbraw/zinc/91/70/11/697917011.db2.gz FJUSPILXCUSCMI-SNVBAGLBSA-N 0 0 181.279 2.047 10 30 AEEERN C=C(C)CNN=C1CCC[C@H]2C[C@@H]12 381984132 697917022 /nfs/dbraw/zinc/91/70/22/697917022.db2.gz FZWMQQWZQCIONC-VHSXEESVSA-N 0 0 178.279 2.328 10 30 AEEERN CCON=C(C)CC(F)(F)F 382002692 697917122 /nfs/dbraw/zinc/91/71/22/697917122.db2.gz ABMVQULMGPXTID-UHFFFAOYSA-N 0 0 169.146 2.351 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CCCCC 381984104 697917193 /nfs/dbraw/zinc/91/71/93/697917193.db2.gz FJUSPILXCUSCMI-JTQLQIEISA-N 0 0 181.279 2.047 10 30 AEEERN C=C(C)CNN=C(C)CC(F)(F)F 382003414 697917199 /nfs/dbraw/zinc/91/71/99/697917199.db2.gz AFJRVRDDTQBLPA-UHFFFAOYSA-N 0 0 194.200 2.480 10 30 AEEERN C#CCOC(=O)C(C)(C)C(C)(C)C 382047068 697917433 /nfs/dbraw/zinc/91/74/33/697917433.db2.gz XDLSZUOLIHTKTO-UHFFFAOYSA-N 0 0 182.263 2.235 10 30 AEEERN CCON=CCCC(C)C 382008807 697917440 /nfs/dbraw/zinc/91/74/40/697917440.db2.gz CDSPSQZRISJQQL-UHFFFAOYSA-N 0 0 143.230 2.445 10 30 AEEERN C=CCNN=C(C)[C@@H]1CC1(C)C 382305934 697922323 /nfs/dbraw/zinc/92/23/23/697922323.db2.gz OTNGXSZOCRZZSD-VIFPVBQESA-N 0 0 166.268 2.184 10 30 AEEERN CCON=C(CC)c1ccco1 382096081 697917917 /nfs/dbraw/zinc/91/79/17/697917917.db2.gz DSRRJCAYMXUTOO-UHFFFAOYSA-N 0 0 167.208 2.430 10 30 AEEERN C#CCON=Cc1ccsc1C 382099236 697918102 /nfs/dbraw/zinc/91/81/02/697918102.db2.gz FXVNGXCXZCHTSU-UHFFFAOYSA-N 0 0 179.244 2.040 10 30 AEEERN C[C@H]1CCC(=NNCC(F)F)C1 382096955 697918148 /nfs/dbraw/zinc/91/81/48/697918148.db2.gz FCCDNELKLXNFOA-LURJTMIESA-N 0 0 176.210 2.017 10 30 AEEERN C[C@@H]1CCC(=NNCC(F)F)C1 382096987 697918223 /nfs/dbraw/zinc/91/82/23/697918223.db2.gz FCCDNELKLXNFOA-ZCFIWIBFSA-N 0 0 176.210 2.017 10 30 AEEERN COCCC(C)=NOCC(C)C 382098448 697918230 /nfs/dbraw/zinc/91/82/30/697918230.db2.gz FNHDFFOMTJAOCC-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN CON=C1CS[C@@H](C(C)C)C1 382105296 697918404 /nfs/dbraw/zinc/91/84/04/697918404.db2.gz IDDBIFQEKQYBBU-MRVPVSSYSA-N 0 0 173.281 2.150 10 30 AEEERN CCON=C1C[C@H](C)[C@@H]1C 382106206 697918451 /nfs/dbraw/zinc/91/84/51/697918451.db2.gz INNRGGGBVZKQDK-BQBZGAKWSA-N 0 0 141.214 2.055 10 30 AEEERN CCON=C1C[C@@H](C)[C@H]1C 382106237 697918504 /nfs/dbraw/zinc/91/85/04/697918504.db2.gz INNRGGGBVZKQDK-RNFRBKRXSA-N 0 0 141.214 2.055 10 30 AEEERN CON=C1CS[C@H](C(C)C)C1 382105297 697918537 /nfs/dbraw/zinc/91/85/37/697918537.db2.gz IDDBIFQEKQYBBU-QMMMGPOBSA-N 0 0 173.281 2.150 10 30 AEEERN CCON=C1C[C@H](C)[C@H]1C 382106216 697918556 /nfs/dbraw/zinc/91/85/56/697918556.db2.gz INNRGGGBVZKQDK-NKWVEPMBSA-N 0 0 141.214 2.055 10 30 AEEERN CCON=C1C[C@@H](C)[C@@H]1C 382106240 697918600 /nfs/dbraw/zinc/91/86/00/697918600.db2.gz INNRGGGBVZKQDK-RQJHMYQMSA-N 0 0 141.214 2.055 10 30 AEEERN C=CCOC(=O)c1sccc1F 382114892 697919148 /nfs/dbraw/zinc/91/91/48/697919148.db2.gz LSQCKJCJBOJTHT-UHFFFAOYSA-N 0 0 186.207 2.230 10 30 AEEERN CON=C(C)[C@H]1CC1(C)C 382146880 697919373 /nfs/dbraw/zinc/91/93/73/697919373.db2.gz OGPRJIHKQVGCEN-SSDOTTSWSA-N 0 0 141.214 2.055 10 30 AEEERN CON=C(C)[C@@H]1CC1(C)C 382146881 697919493 /nfs/dbraw/zinc/91/94/93/697919493.db2.gz OGPRJIHKQVGCEN-ZETCQYMHSA-N 0 0 141.214 2.055 10 30 AEEERN C#CCON=C1CC[C@@H]1C(C)C 382162396 697919729 /nfs/dbraw/zinc/91/97/29/697919729.db2.gz TUIGSBJQWJUINB-SECBINFHSA-N 0 0 165.236 2.058 10 30 AEEERN C#CCON=C1CC[C@H]1C(C)C 382162398 697919741 /nfs/dbraw/zinc/91/97/41/697919741.db2.gz TUIGSBJQWJUINB-VIFPVBQESA-N 0 0 165.236 2.058 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 382155748 697920049 /nfs/dbraw/zinc/92/00/49/697920049.db2.gz REVBJARKYVKRHX-IWSPIJDZSA-N 0 0 168.236 2.150 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 382155751 697920095 /nfs/dbraw/zinc/92/00/95/697920095.db2.gz REVBJARKYVKRHX-YIZRAAEISA-N 0 0 168.236 2.150 10 30 AEEERN CC(=NNC1CC1)[C@@H]1CC1(C)C 382168689 697920251 /nfs/dbraw/zinc/92/02/51/697920251.db2.gz VSDPYDMGRYNSRP-VIFPVBQESA-N 0 0 166.268 2.160 10 30 AEEERN C#CCON=C(C)[C@@H]1CC1(C)C 382173925 697920371 /nfs/dbraw/zinc/92/03/71/697920371.db2.gz XGSVKWRKCHKCKD-VIFPVBQESA-N 0 0 165.236 2.058 10 30 AEEERN CC(=NNC1CC1)[C@H]1CC1(C)C 382168688 697920491 /nfs/dbraw/zinc/92/04/91/697920491.db2.gz VSDPYDMGRYNSRP-SECBINFHSA-N 0 0 166.268 2.160 10 30 AEEERN C#CCON=C(C)[C@H]1CC1(C)C 382173911 697920505 /nfs/dbraw/zinc/92/05/05/697920505.db2.gz XGSVKWRKCHKCKD-SECBINFHSA-N 0 0 165.236 2.058 10 30 AEEERN CCON=Cc1ccsc1C 382277053 697921667 /nfs/dbraw/zinc/92/16/67/697921667.db2.gz IBOPOGMDEPDRGD-UHFFFAOYSA-N 0 0 169.249 2.427 10 30 AEEERN C=CCNN=C(C)[C@H]1CC1(C)C 382305933 697922290 /nfs/dbraw/zinc/92/22/90/697922290.db2.gz OTNGXSZOCRZZSD-SECBINFHSA-N 0 0 166.268 2.184 10 30 AEEERN CCSCC=NOC1CCC1 382342471 697922916 /nfs/dbraw/zinc/92/29/16/697922916.db2.gz CREJGSHHTHQLQV-UHFFFAOYSA-N 0 0 173.281 2.294 10 30 AEEERN CC(C)CCC=NN1CCCC1=O 382375606 697922986 /nfs/dbraw/zinc/92/29/86/697922986.db2.gz HVHJQFPTIYGITL-UHFFFAOYSA-N 0 0 182.267 2.031 10 30 AEEERN CCSCC=NOCC(C)C 382346879 697923123 /nfs/dbraw/zinc/92/31/23/697923123.db2.gz FKMQCKAUELCRKG-UHFFFAOYSA-N 0 0 175.297 2.398 10 30 AEEERN CCSCCN=Nc1ccccn1 382347905 697923097 /nfs/dbraw/zinc/92/30/97/697923097.db2.gz FRICXLUAJCWFSF-UHFFFAOYSA-N 0 0 195.291 2.232 10 30 AEEERN COCCCON=C1CC[C@@H](C)C1 382342464 697923104 /nfs/dbraw/zinc/92/31/04/697923104.db2.gz CQQBOFOOVYQOCI-SECBINFHSA-N 0 0 185.267 2.216 10 30 AEEERN COCCCON=C1CC[C@H](C)C1 382342465 697923107 /nfs/dbraw/zinc/92/31/07/697923107.db2.gz CQQBOFOOVYQOCI-VIFPVBQESA-N 0 0 185.267 2.216 10 30 AEEERN CC#CCN(C)C/C(Cl)=C\Cl 382346449 697923132 /nfs/dbraw/zinc/92/31/32/697923132.db2.gz FIKOMCAYFMQRSY-SOFGYWHQSA-N 0 0 192.089 2.261 10 30 AEEERN CCSCC=NOCCSC 382411465 697923920 /nfs/dbraw/zinc/92/39/20/697923920.db2.gz URVORNIKCMKQCR-UHFFFAOYSA-N 0 0 193.337 2.105 10 30 AEEERN C=C1CCN(c2ccnc(C#N)c2)CC1 382526332 697924357 /nfs/dbraw/zinc/92/43/57/697924357.db2.gz AFGIOSHKOYXJBY-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](C)C(C)(F)F 382430230 697924462 /nfs/dbraw/zinc/92/44/62/697924462.db2.gz ZRYOJYKPNLTVHO-RNFRBKRXSA-N 0 0 192.205 2.395 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](C)C(C)(F)F 382430228 697924469 /nfs/dbraw/zinc/92/44/69/697924469.db2.gz ZRYOJYKPNLTVHO-NKWVEPMBSA-N 0 0 192.205 2.395 10 30 AEEERN CCCNN=C(C)[C@@H]1CC1(C)C 382423834 697924668 /nfs/dbraw/zinc/92/46/68/697924668.db2.gz XMIGMAZTEHNYPQ-VIFPVBQESA-N 0 0 168.284 2.408 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](C)C(C)(F)F 382430225 697924674 /nfs/dbraw/zinc/92/46/74/697924674.db2.gz ZRYOJYKPNLTVHO-BQBZGAKWSA-N 0 0 192.205 2.395 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](C)C(C)(F)F 382430234 697924677 /nfs/dbraw/zinc/92/46/77/697924677.db2.gz ZRYOJYKPNLTVHO-RQJHMYQMSA-N 0 0 192.205 2.395 10 30 AEEERN CCCNN=C(C)[C@H]1CC1(C)C 382423824 697924793 /nfs/dbraw/zinc/92/47/93/697924793.db2.gz XMIGMAZTEHNYPQ-SECBINFHSA-N 0 0 168.284 2.408 10 30 AEEERN CON=Cc1ccnc2ccccc12 382778260 697925591 /nfs/dbraw/zinc/92/55/91/697925591.db2.gz DJZWSDTYJXPJDE-UHFFFAOYSA-N 0 0 186.214 2.215 10 30 AEEERN CC[C@@H]1CCCC1=NOC 387873528 697938994 /nfs/dbraw/zinc/93/89/94/697938994.db2.gz GUYMDRVCVBDSJY-SSDOTTSWSA-N 0 0 141.214 2.199 10 30 AEEERN CC[C@H]1CCCC1=NOC 387873529 697939259 /nfs/dbraw/zinc/93/92/59/697939259.db2.gz GUYMDRVCVBDSJY-ZETCQYMHSA-N 0 0 141.214 2.199 10 30 AEEERN CCON=CC1(C)CCC1 387980939 697939583 /nfs/dbraw/zinc/93/95/83/697939583.db2.gz JVBXRTBGJSAPHD-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN CCC[C@@H](C)C=NOCC 387928027 697939632 /nfs/dbraw/zinc/93/96/32/697939632.db2.gz WTDVGWASCDRFIH-MRVPVSSYSA-N 0 0 143.230 2.445 10 30 AEEERN C=C(Cl)C[S@@](=O)C/C=C\C 387927103 697939650 /nfs/dbraw/zinc/93/96/50/697939650.db2.gz GREHVDRNAKFRLM-XOULXFPDSA-N 0 0 178.684 2.064 10 30 AEEERN C=C(Cl)C[S@](=O)C/C=C\C 387927089 697939686 /nfs/dbraw/zinc/93/96/86/697939686.db2.gz GREHVDRNAKFRLM-UMBAGQNISA-N 0 0 178.684 2.064 10 30 AEEERN CCC[C@H](C)C=NOCC 387928030 697939738 /nfs/dbraw/zinc/93/97/38/697939738.db2.gz WTDVGWASCDRFIH-QMMMGPOBSA-N 0 0 143.230 2.445 10 30 AEEERN CCCC=NOC1CCC1 387927029 697939797 /nfs/dbraw/zinc/93/97/97/697939797.db2.gz FGWZYFWLHCUPNF-UHFFFAOYSA-N 0 0 141.214 2.341 10 30 AEEERN CCON=C(C(C)C)C1CC1 388030295 697940204 /nfs/dbraw/zinc/94/02/04/697940204.db2.gz HLHDEYLOIKDGGN-UHFFFAOYSA-N 0 0 155.241 2.445 10 30 AEEERN CCON=Cc1ccc(C)s1 388074490 697940722 /nfs/dbraw/zinc/94/07/22/697940722.db2.gz FQZOVVIXAPISQC-UHFFFAOYSA-N 0 0 169.249 2.427 10 30 AEEERN C[C@@H]1C[C@H]1C=NOC1CCC1 388076175 697940733 /nfs/dbraw/zinc/94/07/33/697940733.db2.gz GOKATCLEJVKLPL-SFYZADRCSA-N 0 0 153.225 2.197 10 30 AEEERN C[C@H]1C[C@H]1C=NOC1CCC1 388076176 697940780 /nfs/dbraw/zinc/94/07/80/697940780.db2.gz GOKATCLEJVKLPL-YUMQZZPRSA-N 0 0 153.225 2.197 10 30 AEEERN CON=C1CC(C)(C)C[C@H]1C 388069322 697940809 /nfs/dbraw/zinc/94/08/09/697940809.db2.gz CGEWHLTUZKVFGD-SSDOTTSWSA-N 0 0 155.241 2.445 10 30 AEEERN CON=C1CC(C)(C)C[C@@H]1C 388069335 697940863 /nfs/dbraw/zinc/94/08/63/697940863.db2.gz CGEWHLTUZKVFGD-ZETCQYMHSA-N 0 0 155.241 2.445 10 30 AEEERN C[C@@H]1C[C@@H]1C=NOC1CCC1 388076169 697940961 /nfs/dbraw/zinc/94/09/61/697940961.db2.gz GOKATCLEJVKLPL-HTQZYQBOSA-N 0 0 153.225 2.197 10 30 AEEERN C[C@H]1C[C@@H]1C=NOC1CCC1 388076172 697940982 /nfs/dbraw/zinc/94/09/82/697940982.db2.gz GOKATCLEJVKLPL-JGVFFNPUSA-N 0 0 153.225 2.197 10 30 AEEERN CC(=NOCC1CC1)C(C)C 388073288 697940987 /nfs/dbraw/zinc/94/09/87/697940987.db2.gz FGSUKOSFLJUUFH-UHFFFAOYSA-N 0 0 155.241 2.445 10 30 AEEERN CC(C)CON=CC1(F)CC1 388114181 697941915 /nfs/dbraw/zinc/94/19/15/697941915.db2.gz FHVZPRIQOIGOFB-UHFFFAOYSA-N 0 0 159.204 2.147 10 30 AEEERN CC(C)C=NNC1CCCC1 388116463 697942067 /nfs/dbraw/zinc/94/20/67/697942067.db2.gz HAEPJTGFOCLDFC-UHFFFAOYSA-N 0 0 154.257 2.160 10 30 AEEERN CON=C1CCC12CCCC2 388114661 697942087 /nfs/dbraw/zinc/94/20/87/697942087.db2.gz FPHZFVYCYVBYPM-UHFFFAOYSA-N 0 0 153.225 2.343 10 30 AEEERN CSCCON=CCC(C)C 388139572 697943134 /nfs/dbraw/zinc/94/31/34/697943134.db2.gz AUOZMYRCESJNNV-UHFFFAOYSA-N 0 0 175.297 2.398 10 30 AEEERN CCc1ccc(C=NOC)s1 388139005 697943299 /nfs/dbraw/zinc/94/32/99/697943299.db2.gz ADJILZMMJOKFCU-UHFFFAOYSA-N 0 0 169.249 2.291 10 30 AEEERN C#CCON=C(CC)CCC 388145374 697943638 /nfs/dbraw/zinc/94/36/38/697943638.db2.gz HCPPWBXJVYRHCG-UHFFFAOYSA-N 0 0 153.225 2.202 10 30 AEEERN CON=C(C)c1ccccc1 388144156 697943799 /nfs/dbraw/zinc/94/37/99/697943799.db2.gz FRRKMGKUCIICOM-UHFFFAOYSA-N 0 0 149.193 2.057 10 30 AEEERN COCC(=NOCC1CC1)C(C)C 388203034 697944731 /nfs/dbraw/zinc/94/47/31/697944731.db2.gz BYNGHLWDISISOG-UHFFFAOYSA-N 0 0 185.267 2.071 10 30 AEEERN C=CCCCC(=O)NCCCCF 388202059 697944823 /nfs/dbraw/zinc/94/48/23/697944823.db2.gz BFZVGMJCIGMQCG-UHFFFAOYSA-N 0 0 187.258 2.209 10 30 AEEERN CCOCCC=NOCCC1CC1 388202491 697944941 /nfs/dbraw/zinc/94/49/41/697944941.db2.gz BNZCTRXRCKCTKN-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C#CCC(C)(C)C(=O)OCCCC 388202530 697945031 /nfs/dbraw/zinc/94/50/31/697945031.db2.gz BPPIBXVNDCQZKD-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN CCOc1ccccc1C=NOC 388219256 697945263 /nfs/dbraw/zinc/94/52/63/697945263.db2.gz HLGOCOHWUXCKJJ-UHFFFAOYSA-N 0 0 179.219 2.066 10 30 AEEERN CCON=Cc1scnc1C1CC1 388211058 697945394 /nfs/dbraw/zinc/94/53/94/697945394.db2.gz GETWXPHOTDBERG-UHFFFAOYSA-N 0 0 196.275 2.391 10 30 AEEERN CCC/C=C\C(=O)OC(C)(C)C#N 388216650 697945443 /nfs/dbraw/zinc/94/54/43/697945443.db2.gz GPMPFUHHXFYKFI-SREVYHEPSA-N 0 0 181.235 2.188 10 30 AEEERN C#CCCOC(=O)CC1CCCC1 388218761 697945564 /nfs/dbraw/zinc/94/55/64/697945564.db2.gz HGYWYXMDPNGBFL-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN CCC/C=C/C(=O)OC(C)(C)C#N 388216652 697945567 /nfs/dbraw/zinc/94/55/67/697945567.db2.gz GPMPFUHHXFYKFI-VOTSOKGWSA-N 0 0 181.235 2.188 10 30 AEEERN CC[C@@H](CC(=O)OCC#N)C(C)C 388258044 697947749 /nfs/dbraw/zinc/94/77/49/697947749.db2.gz AIORIYICTXLOMV-VIFPVBQESA-N 0 0 183.251 2.125 10 30 AEEERN CCON=CC1(CC)CCOCC1 388254169 697947777 /nfs/dbraw/zinc/94/77/77/697947777.db2.gz ASOHODRTZGFTCE-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CC[C@H](CC(=O)OCC#N)C(C)C 388258042 697947833 /nfs/dbraw/zinc/94/78/33/697947833.db2.gz AIORIYICTXLOMV-SECBINFHSA-N 0 0 183.251 2.125 10 30 AEEERN CCC[C@H](C)C(=O)O[C@@H](C)CC#N 388264476 697948110 /nfs/dbraw/zinc/94/81/10/697948110.db2.gz BKMGGGOYMLYOAC-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN CCC[C@@H](C)C(=O)O[C@@H](C)CC#N 388264472 697948150 /nfs/dbraw/zinc/94/81/50/697948150.db2.gz BKMGGGOYMLYOAC-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN CCC[C@H](C)C(=O)O[C@H](C)CC#N 388264474 697948247 /nfs/dbraw/zinc/94/82/47/697948247.db2.gz BKMGGGOYMLYOAC-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN CCC[C@@H](C)C(=O)O[C@H](C)CC#N 388264477 697948261 /nfs/dbraw/zinc/94/82/61/697948261.db2.gz BKMGGGOYMLYOAC-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(C)CN(C)C(=O)/C(C)=C/CC 388269483 697948679 /nfs/dbraw/zinc/94/86/79/697948679.db2.gz GNVVUNAMEATRCD-JXMROGBWSA-N 0 0 181.279 2.377 10 30 AEEERN C(=NOCCC1CC1)c1cncs1 388270453 697948694 /nfs/dbraw/zinc/94/86/94/697948694.db2.gz FQCRSMYKTNWJGH-UHFFFAOYSA-N 0 0 196.275 2.294 10 30 AEEERN C#CCCCC(=O)O[C@H]1C=CCC1 388264564 697948767 /nfs/dbraw/zinc/94/87/67/697948767.db2.gz BOPCCDRKIWGOPN-JTQLQIEISA-N 0 0 178.231 2.052 10 30 AEEERN C#CCCCC(=O)O[C@@H]1C=CCC1 388264566 697948981 /nfs/dbraw/zinc/94/89/81/697948981.db2.gz BOPCCDRKIWGOPN-SNVBAGLBSA-N 0 0 178.231 2.052 10 30 AEEERN C=C(C)CN(C)C(=O)/C(C)=C\CC 388269485 697948852 /nfs/dbraw/zinc/94/88/52/697948852.db2.gz GNVVUNAMEATRCD-YFHOEESVSA-N 0 0 181.279 2.377 10 30 AEEERN COC[C@@H](C)C=NOCCC1CC1 388274277 697949316 /nfs/dbraw/zinc/94/93/16/697949316.db2.gz IIZZSVJIPWNTCI-VIFPVBQESA-N 0 0 185.267 2.071 10 30 AEEERN COC[C@H](C)C=NOCCC1CC1 388274276 697949381 /nfs/dbraw/zinc/94/93/81/697949381.db2.gz IIZZSVJIPWNTCI-SECBINFHSA-N 0 0 185.267 2.071 10 30 AEEERN C#CCC(C)(C)COC(=O)CCC 388288399 697951200 /nfs/dbraw/zinc/95/12/00/697951200.db2.gz SXBUXOAFVKQZSP-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN N#CCCCCSCCC1(O)CC1 388300485 697951481 /nfs/dbraw/zinc/95/14/81/697951481.db2.gz NKEYDYJPTMJYRX-UHFFFAOYSA-N 0 0 199.319 2.328 10 30 AEEERN N#CCCCCCC(=O)OC1CC1 388313567 697952594 /nfs/dbraw/zinc/95/25/94/697952594.db2.gz SXTOOOYDOWMNDG-UHFFFAOYSA-N 0 0 181.235 2.166 10 30 AEEERN FC(F)(F)CCON=CC1(F)CC1 388313067 697952665 /nfs/dbraw/zinc/95/26/65/697952665.db2.gz SQJLWFIVAGGVAR-UHFFFAOYSA-N 0 0 199.147 2.443 10 30 AEEERN C#CCCCCC(=O)OC1CCC1 388313411 697952694 /nfs/dbraw/zinc/95/26/94/697952694.db2.gz SVDLOMVXUWKAGU-UHFFFAOYSA-N 0 0 180.247 2.276 10 30 AEEERN C=CCOC(=O)c1c(C)coc1C 388334002 697953432 /nfs/dbraw/zinc/95/34/32/697953432.db2.gz GKQPEPIXALMOMD-UHFFFAOYSA-N 0 0 180.203 2.239 10 30 AEEERN CCON=C(C)Cc1ccncc1 388337045 697953659 /nfs/dbraw/zinc/95/36/59/697953659.db2.gz HVPUDHNMRKSLQU-UHFFFAOYSA-N 0 0 178.235 2.037 10 30 AEEERN C=C(C)COC(=O)[C@@H](CC)SC 388378725 697956131 /nfs/dbraw/zinc/95/61/31/697956131.db2.gz HRRGWHOZDUSASW-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(C)COC(=O)[C@H](CC)SC 388378729 697956187 /nfs/dbraw/zinc/95/61/87/697956187.db2.gz HRRGWHOZDUSASW-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C1(C)CC1 388381652 697956576 /nfs/dbraw/zinc/95/65/76/697956576.db2.gz QOQDRZFQHPVJSS-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C1(C)CC1 388381651 697956695 /nfs/dbraw/zinc/95/66/95/697956695.db2.gz QOQDRZFQHPVJSS-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](C)CSC 388382523 697956700 /nfs/dbraw/zinc/95/67/00/697956700.db2.gz STOFWNMPSDNOCQ-HTQZYQBOSA-N 0 0 188.292 2.103 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](C)CSC 388382524 697957014 /nfs/dbraw/zinc/95/70/14/697957014.db2.gz STOFWNMPSDNOCQ-JGVFFNPUSA-N 0 0 188.292 2.103 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](C)CSC 388382525 697957099 /nfs/dbraw/zinc/95/70/99/697957099.db2.gz STOFWNMPSDNOCQ-SFYZADRCSA-N 0 0 188.292 2.103 10 30 AEEERN C=C(C)COC(=O)c1ccoc1 388388446 697957110 /nfs/dbraw/zinc/95/71/10/697957110.db2.gz ANNBISCRAZTCBB-UHFFFAOYSA-N 0 0 166.176 2.013 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](C)CSC 388382526 697957140 /nfs/dbraw/zinc/95/71/40/697957140.db2.gz STOFWNMPSDNOCQ-YUMQZZPRSA-N 0 0 188.292 2.103 10 30 AEEERN C=C(CC)COC(=O)C1CCC1 388388670 697957609 /nfs/dbraw/zinc/95/76/09/697957609.db2.gz AJBHOUYMJVFVKR-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=CCCCOC(=O)/C(C)=C\C 388389807 697957657 /nfs/dbraw/zinc/95/76/57/697957657.db2.gz BECSTUASVFEUNB-UITAMQMPSA-N 0 0 168.236 2.462 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](CC)SC 388390515 697957838 /nfs/dbraw/zinc/95/78/38/697957838.db2.gz BPTQLKDWPWGSAL-HTQZYQBOSA-N 0 0 188.292 2.246 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](CC)SC 388390518 697957870 /nfs/dbraw/zinc/95/78/70/697957870.db2.gz BPTQLKDWPWGSAL-YUMQZZPRSA-N 0 0 188.292 2.246 10 30 AEEERN C=C(C)CON=C(N)CCCC 388390533 697957900 /nfs/dbraw/zinc/95/79/00/697957900.db2.gz BRGUCTFDNWISHC-UHFFFAOYSA-N 0 0 170.256 2.251 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](CC)SC 388390516 697957912 /nfs/dbraw/zinc/95/79/12/697957912.db2.gz BPTQLKDWPWGSAL-JGVFFNPUSA-N 0 0 188.292 2.246 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](CC)SC 388390517 697958018 /nfs/dbraw/zinc/95/80/18/697958018.db2.gz BPTQLKDWPWGSAL-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN C(=NOCC1CC1)c1ccoc1 388391250 697958076 /nfs/dbraw/zinc/95/80/76/697958076.db2.gz CBUQVDBVAYGDCU-UHFFFAOYSA-N 0 0 165.192 2.040 10 30 AEEERN CON=Cc1scnc1C1CC1 388392727 697958398 /nfs/dbraw/zinc/95/83/98/697958398.db2.gz DJKHOZNCNSTMOC-UHFFFAOYSA-N 0 0 182.248 2.001 10 30 AEEERN C=C(C)CNN=C(C)C1CCC1 388393606 697959073 /nfs/dbraw/zinc/95/90/73/697959073.db2.gz FEHIXSJERYTMDQ-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCCOC(=O)[C@H]1CC1(C)C 388394552 697959149 /nfs/dbraw/zinc/95/91/49/697959149.db2.gz GKNRYBBHNQMXIY-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN CCC(C)=NO[C@@H]1CCCCO1 388394159 697959172 /nfs/dbraw/zinc/95/91/72/697959172.db2.gz FXEBCFFCWCSKQM-SECBINFHSA-N 0 0 171.240 2.316 10 30 AEEERN CCC(C)=NO[C@H]1CCCCO1 388394160 697959210 /nfs/dbraw/zinc/95/92/10/697959210.db2.gz FXEBCFFCWCSKQM-VIFPVBQESA-N 0 0 171.240 2.316 10 30 AEEERN CCON=Cc1ccccc1F 388393276 697959241 /nfs/dbraw/zinc/95/92/41/697959241.db2.gz DZSWIOHWLCQBLC-UHFFFAOYSA-N 0 0 167.183 2.196 10 30 AEEERN CON=CCc1ccc(F)cc1 388395232 697959373 /nfs/dbraw/zinc/95/93/73/697959373.db2.gz HJWFRLPXVDBXHA-UHFFFAOYSA-N 0 0 167.183 2.000 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C\CCC 388396588 697959528 /nfs/dbraw/zinc/95/95/28/697959528.db2.gz IYWYTNGQGVCZME-FUOZMLNRSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C/CCC 388396586 697959533 /nfs/dbraw/zinc/95/95/33/697959533.db2.gz IYWYTNGQGVCZME-FCZSHJHJSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@@H](C)OC(=O)/C=C\CCC 388396589 697959598 /nfs/dbraw/zinc/95/95/98/697959598.db2.gz IYWYTNGQGVCZME-UFGYOYAJSA-N 0 0 168.236 2.460 10 30 AEEERN CCCCC(=O)O[C@@H](C#N)CC 388395663 697959630 /nfs/dbraw/zinc/95/96/30/697959630.db2.gz HVAUFGZZUFAJHZ-MRVPVSSYSA-N 0 0 169.224 2.022 10 30 AEEERN C=CCCOC(=O)[C@@H]1CC1(C)C 388394553 697959680 /nfs/dbraw/zinc/95/96/80/697959680.db2.gz GKNRYBBHNQMXIY-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN CCCCC(=O)O[C@H](C#N)CC 388395664 697959693 /nfs/dbraw/zinc/95/96/93/697959693.db2.gz HVAUFGZZUFAJHZ-QMMMGPOBSA-N 0 0 169.224 2.022 10 30 AEEERN C=C[C@H](C)OC(=O)/C=C/CCC 388396587 697959749 /nfs/dbraw/zinc/95/97/49/697959749.db2.gz IYWYTNGQGVCZME-FLOXNTQESA-N 0 0 168.236 2.460 10 30 AEEERN CCOCCON=C(C)C(C)C 388414654 697962908 /nfs/dbraw/zinc/96/29/08/697962908.db2.gz DREBQCVTODZDMW-UHFFFAOYSA-N 0 0 173.256 2.071 10 30 AEEERN C=CCCC(=O)OC[Si](C)(C)C 388416401 697963031 /nfs/dbraw/zinc/96/30/31/697963031.db2.gz BLGOEFBIBAKEEX-UHFFFAOYSA-N 0 0 186.327 2.373 10 30 AEEERN CCSCCC=NOCC(F)F 388420595 697963343 /nfs/dbraw/zinc/96/33/43/697963343.db2.gz HJFSRFRWWBMFBG-UHFFFAOYSA-N 0 0 197.250 2.397 10 30 AEEERN C#CCON=C[C@@H]1CC[C@H](C)C1 388418280 697963372 /nfs/dbraw/zinc/96/33/72/697963372.db2.gz GFLCLYLXBQRGHD-VHSXEESVSA-N 0 0 165.236 2.058 10 30 AEEERN C#CCON=C[C@@H]1CC[C@@H](C)C1 388418269 697963420 /nfs/dbraw/zinc/96/34/20/697963420.db2.gz GFLCLYLXBQRGHD-NXEZZACHSA-N 0 0 165.236 2.058 10 30 AEEERN C=C(C)CNC(=O)/C=C\CCC 388418648 697963441 /nfs/dbraw/zinc/96/34/41/697963441.db2.gz GMKFNDUCVLLISK-SREVYHEPSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(C)CNC(=O)/C=C/CCC 388418649 697963460 /nfs/dbraw/zinc/96/34/60/697963460.db2.gz GMKFNDUCVLLISK-VOTSOKGWSA-N 0 0 167.252 2.035 10 30 AEEERN C#CCON=C[C@H]1CC[C@@H](C)C1 388418284 697963476 /nfs/dbraw/zinc/96/34/76/697963476.db2.gz GFLCLYLXBQRGHD-ZJUUUORDSA-N 0 0 165.236 2.058 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C=C\SC 388420649 697963484 /nfs/dbraw/zinc/96/34/84/697963484.db2.gz HMDYUMFHMSVEKE-SLGIHZDVSA-N 0 0 186.276 2.371 10 30 AEEERN C=C(C)[C@H](C)OC(=O)/C=C/SC 388420645 697963522 /nfs/dbraw/zinc/96/35/22/697963522.db2.gz HMDYUMFHMSVEKE-GJIOHYHPSA-N 0 0 186.276 2.371 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C=C/SC 388420646 697963571 /nfs/dbraw/zinc/96/35/71/697963571.db2.gz HMDYUMFHMSVEKE-HQZHTGGTSA-N 0 0 186.276 2.371 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C=C\SC 388420648 697963625 /nfs/dbraw/zinc/96/36/25/697963625.db2.gz HMDYUMFHMSVEKE-RPSMYOMKSA-N 0 0 186.276 2.371 10 30 AEEERN C#CCON=C[C@H]1CC[C@H](C)C1 388418277 697963632 /nfs/dbraw/zinc/96/36/32/697963632.db2.gz GFLCLYLXBQRGHD-UWVGGRQHSA-N 0 0 165.236 2.058 10 30 AEEERN C=CCCC(=O)O[C@H](C)C(F)F 388424879 697964128 /nfs/dbraw/zinc/96/41/28/697964128.db2.gz JRDNDEGENHODTL-ZCFIWIBFSA-N 0 0 178.178 2.149 10 30 AEEERN C=CCCC(=O)O[C@@H](C)C(F)F 388424876 697964170 /nfs/dbraw/zinc/96/41/70/697964170.db2.gz JRDNDEGENHODTL-LURJTMIESA-N 0 0 178.178 2.149 10 30 AEEERN C=C(Cl)COC(=O)/C=C\C(C)C 388425383 697964655 /nfs/dbraw/zinc/96/46/55/697964655.db2.gz KAZMUYIYIVLZJV-PLNGDYQASA-N 0 0 188.654 2.494 10 30 AEEERN C=C(Cl)COC(=O)/C=C/C(C)C 388425385 697964716 /nfs/dbraw/zinc/96/47/16/697964716.db2.gz KAZMUYIYIVLZJV-SNAWJCMRSA-N 0 0 188.654 2.494 10 30 AEEERN C=CCCCC(=O)OC1CCC1 388431107 697964923 /nfs/dbraw/zinc/96/49/23/697964923.db2.gz NKVBNOZONMLVKU-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN C=CCCCOC(=O)[C@H](C)SC 388429841 697964926 /nfs/dbraw/zinc/96/49/26/697964926.db2.gz MSJGISWTAIVVAH-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=CCCCOC(=O)[C@@H](C)SC 388429840 697964957 /nfs/dbraw/zinc/96/49/57/697964957.db2.gz MSJGISWTAIVVAH-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=CCC[C@H](OC(C)=O)C1CC1 388440471 697965624 /nfs/dbraw/zinc/96/56/24/697965624.db2.gz SBZHQLWLYZVVSQ-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN C=CCC[C@@H](OC(C)=O)C1CC1 388440474 697965690 /nfs/dbraw/zinc/96/56/90/697965690.db2.gz SBZHQLWLYZVVSQ-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](C)C(C)C 388478109 697968339 /nfs/dbraw/zinc/96/83/39/697968339.db2.gz SFGMSUMNIXBYHK-DTWKUNHWSA-N 0 0 170.252 2.396 10 30 AEEERN CCCC(=O)O[C@H](CC)CC#N 388450650 697966125 /nfs/dbraw/zinc/96/61/25/697966125.db2.gz YIAGYRQOGPDIFW-MRVPVSSYSA-N 0 0 169.224 2.022 10 30 AEEERN C=CCCC(=O)O[C@H](C)C(=C)C 388450020 697966137 /nfs/dbraw/zinc/96/61/37/697966137.db2.gz XVOANTPLCGSGJL-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@@H](CC)OC(=O)C1(C)CC1 388448324 697966203 /nfs/dbraw/zinc/96/62/03/697966203.db2.gz WSHSONVBJUYGJB-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C=CCCC(=O)O[C@@H](C)C(=C)C 388450021 697966217 /nfs/dbraw/zinc/96/62/17/697966217.db2.gz XVOANTPLCGSGJL-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](CC)OC(=O)C1(C)CC1 388448322 697966269 /nfs/dbraw/zinc/96/62/69/697966269.db2.gz WSHSONVBJUYGJB-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN CCCC(=O)O[C@@H](CC)CC#N 388450651 697966311 /nfs/dbraw/zinc/96/63/11/697966311.db2.gz YIAGYRQOGPDIFW-QMMMGPOBSA-N 0 0 169.224 2.022 10 30 AEEERN C=C[C@H](C)OC(=O)CCC(F)F 388451054 697966345 /nfs/dbraw/zinc/96/63/45/697966345.db2.gz YMUCSMPIILEABG-LURJTMIESA-N 0 0 178.178 2.149 10 30 AEEERN C=C[C@@H](C)OC(=O)CCC(F)F 388451056 697966378 /nfs/dbraw/zinc/96/63/78/697966378.db2.gz YMUCSMPIILEABG-ZCFIWIBFSA-N 0 0 178.178 2.149 10 30 AEEERN CC[C@@H](C)NN=Cc1ccoc1 388456647 697966619 /nfs/dbraw/zinc/96/66/19/697966619.db2.gz BXZQGKAVDHKIDN-MRVPVSSYSA-N 0 0 166.224 2.002 10 30 AEEERN C=CCNN=C(C)CC1CCC1 388457603 697966662 /nfs/dbraw/zinc/96/66/62/697966662.db2.gz DPOPESUHZDNHRQ-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C#CCON=CC1CCCCC1 388455810 697966693 /nfs/dbraw/zinc/96/66/93/697966693.db2.gz CSIPOMNNGYUJIQ-UHFFFAOYSA-N 0 0 165.236 2.202 10 30 AEEERN CCCC=NOCCOC(C)C 388455820 697966818 /nfs/dbraw/zinc/96/68/18/697966818.db2.gz CTWALYFGXSNKQV-UHFFFAOYSA-N 0 0 173.256 2.214 10 30 AEEERN CC[C@H](C)NN=Cc1ccoc1 388456648 697966897 /nfs/dbraw/zinc/96/68/97/697966897.db2.gz BXZQGKAVDHKIDN-QMMMGPOBSA-N 0 0 166.224 2.002 10 30 AEEERN CC[C@H]1CCC1=NOCC(F)F 388460152 697967299 /nfs/dbraw/zinc/96/72/99/697967299.db2.gz FXCDVAOEJFUXBT-LURJTMIESA-N 0 0 177.194 2.444 10 30 AEEERN C=CCCCC(=O)NCC(C)C 388462011 697967420 /nfs/dbraw/zinc/96/74/20/697967420.db2.gz HADKJUZXDGTEQB-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN CC[C@@H]1CCC1=NOCC(F)F 388460154 697967487 /nfs/dbraw/zinc/96/74/87/697967487.db2.gz FXCDVAOEJFUXBT-ZCFIWIBFSA-N 0 0 177.194 2.444 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](C)C(C)C 388478108 697968346 /nfs/dbraw/zinc/96/83/46/697968346.db2.gz SFGMSUMNIXBYHK-BDAKNGLRSA-N 0 0 170.252 2.396 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](C)C(C)C 388478113 697968350 /nfs/dbraw/zinc/96/83/50/697968350.db2.gz SFGMSUMNIXBYHK-RKDXNWHRSA-N 0 0 170.252 2.396 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](C)C(C)C 388478112 697968440 /nfs/dbraw/zinc/96/84/40/697968440.db2.gz SFGMSUMNIXBYHK-IUCAKERBSA-N 0 0 170.252 2.396 10 30 AEEERN CC1(C=NNCC(F)F)CCC1 388480048 697968925 /nfs/dbraw/zinc/96/89/25/697968925.db2.gz UDKCXMZVHPKXKJ-UHFFFAOYSA-N 0 0 176.210 2.017 10 30 AEEERN C#CCON=C(CC)CCC=C 388486168 697969162 /nfs/dbraw/zinc/96/91/62/697969162.db2.gz CKRICLLWWBKUQS-UHFFFAOYSA-N 0 0 165.236 2.368 10 30 AEEERN C=CCCC(=O)OC/C=C/CC 388491504 697969785 /nfs/dbraw/zinc/96/97/85/697969785.db2.gz HIUFFRZUXSDZLI-FNORWQNLSA-N 0 0 168.236 2.462 10 30 AEEERN C=CCCC(=O)OC/C=C\CC 388491501 697969947 /nfs/dbraw/zinc/96/99/47/697969947.db2.gz HIUFFRZUXSDZLI-ALCCZGGFSA-N 0 0 168.236 2.462 10 30 AEEERN C=CCCC(=O)OCCCCF 388492377 697970193 /nfs/dbraw/zinc/97/01/93/697970193.db2.gz HZFYGBNEMUSUJL-UHFFFAOYSA-N 0 0 174.215 2.246 10 30 AEEERN FC1(C=NOCCC2CC2)CC1 388494229 697970209 /nfs/dbraw/zinc/97/02/09/697970209.db2.gz IVDYEERWJADOJL-UHFFFAOYSA-N 0 0 171.215 2.291 10 30 AEEERN C=C(C)COC(=O)CCCSC 388500903 697970648 /nfs/dbraw/zinc/97/06/48/697970648.db2.gz MALQBYPWJHVDMS-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN C=C[C@@H](C)OC(=O)CC1CCC1 388515684 697972291 /nfs/dbraw/zinc/97/22/91/697972291.db2.gz ULXJUNWTWQKKFP-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@H](C)OC(=O)CC1CCC1 388515689 697972348 /nfs/dbraw/zinc/97/23/48/697972348.db2.gz ULXJUNWTWQKKFP-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN CC(=NNC1CC1)c1occc1C 388576427 697973317 /nfs/dbraw/zinc/97/33/17/697973317.db2.gz BMIVBKPVMVGCIH-UHFFFAOYSA-N 0 0 178.235 2.064 10 30 AEEERN CCC1(C(=O)OCC#N)CCCC1 388574312 697973443 /nfs/dbraw/zinc/97/34/43/697973443.db2.gz AIKSHMNELNNQQY-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN CC(C)CC(=O)OCCCCC#N 388580536 697974392 /nfs/dbraw/zinc/97/43/92/697974392.db2.gz BGUXARRQRGMHPB-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN COCCON=C1C=C(C)CCC1 388582610 697974409 /nfs/dbraw/zinc/97/44/09/697974409.db2.gz BWLPYRIWDPKWMV-UHFFFAOYSA-N 0 0 183.251 2.136 10 30 AEEERN C#CCCOC(=O)CC(CC)CC 388590727 697975540 /nfs/dbraw/zinc/97/55/40/697975540.db2.gz AKIMUOKVOHDDRM-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C[C@@H](C#N)OC(=O)CCC(C)(C)C 388592178 697975941 /nfs/dbraw/zinc/97/59/41/697975941.db2.gz BBPZSKOUJZZDRS-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C[C@H](C#N)OC(=O)CCC(C)(C)C 388592177 697976019 /nfs/dbraw/zinc/97/60/19/697976019.db2.gz BBPZSKOUJZZDRS-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@@H](CC)OC(=O)CC(C)(C)C 388594116 697976397 /nfs/dbraw/zinc/97/63/97/697976397.db2.gz NGPDEQNVKTXUKL-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN C1CC(=NOCCOC2CCC2)C1 388595188 697976400 /nfs/dbraw/zinc/97/64/00/697976400.db2.gz CKBDOWJGZITOHK-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN C#C[C@H](CC)OC(=O)CC(C)(C)C 388594114 697976437 /nfs/dbraw/zinc/97/64/37/697976437.db2.gz NGPDEQNVKTXUKL-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN CCC(=NOC)c1ccc(O)cc1 388598415 697977053 /nfs/dbraw/zinc/97/70/53/697977053.db2.gz DSFQSDOWODDGCF-UHFFFAOYSA-N 0 0 179.219 2.153 10 30 AEEERN CC[C@@H](C)CC(=O)OC(C)(C)C#N 388598201 697977057 /nfs/dbraw/zinc/97/70/57/697977057.db2.gz PISJHLLCFJXSOQ-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(CC)COC(=O)CCCC#N 388596657 697977087 /nfs/dbraw/zinc/97/70/87/697977087.db2.gz DBCXVTXUCUSZJC-UHFFFAOYSA-N 0 0 181.235 2.190 10 30 AEEERN CC[C@H](C)CC(=O)OC(C)(C)C#N 388598202 697977077 /nfs/dbraw/zinc/97/70/77/697977077.db2.gz PISJHLLCFJXSOQ-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C=C(C)CNN=Cc1occc1C 388608769 697978421 /nfs/dbraw/zinc/97/84/21/697978421.db2.gz WZMYZQFVQLDNSD-UHFFFAOYSA-N 0 0 178.235 2.088 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@H](C)C#N 388608800 697978503 /nfs/dbraw/zinc/97/85/03/697978503.db2.gz XAXDWKFIKRYTHY-DTWKUNHWSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@@H](C)C#N 388608801 697978537 /nfs/dbraw/zinc/97/85/37/697978537.db2.gz XAXDWKFIKRYTHY-IUCAKERBSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C#N 388608799 697978578 /nfs/dbraw/zinc/97/85/78/697978578.db2.gz XAXDWKFIKRYTHY-BDAKNGLRSA-N 0 0 181.235 2.044 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@H](C)C#N 388608803 697978726 /nfs/dbraw/zinc/97/87/26/697978726.db2.gz XAXDWKFIKRYTHY-RKDXNWHRSA-N 0 0 181.235 2.044 10 30 AEEERN CC(C)OCCON=C1CCCC1 388614557 697978975 /nfs/dbraw/zinc/97/89/75/697978975.db2.gz FFAADTBTZCLYHJ-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN CC#CCCOC(=O)c1cccs1 388613813 697979316 /nfs/dbraw/zinc/97/93/16/697979316.db2.gz CIELXBQCHQFKAZ-UHFFFAOYSA-N 0 0 194.255 2.318 10 30 AEEERN CCC(COC)=NOC[C@H](C)CC 388616098 697979597 /nfs/dbraw/zinc/97/95/97/697979597.db2.gz FNQIKRFTKFBOPG-SECBINFHSA-N 0 0 187.283 2.462 10 30 AEEERN CCC(COC)=NOC[C@@H](C)CC 388616099 697979801 /nfs/dbraw/zinc/97/98/01/697979801.db2.gz FNQIKRFTKFBOPG-VIFPVBQESA-N 0 0 187.283 2.462 10 30 AEEERN C=CCCCN(C)C(=O)OCCC 388619679 697980069 /nfs/dbraw/zinc/98/00/69/697980069.db2.gz GQVCZKIYYIRNDR-UHFFFAOYSA-N 0 0 185.267 2.431 10 30 AEEERN CC[C@@H](CC#N)OC(=O)C(C)(C)C 388619356 697980090 /nfs/dbraw/zinc/98/00/90/697980090.db2.gz DWXSXAAKLAUMFF-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN CCCC(C)N=Nc1cccnn1 388618917 697980146 /nfs/dbraw/zinc/98/01/46/697980146.db2.gz DRUPMSGPEKBHPG-UHFFFAOYSA-N 0 0 178.239 2.065 10 30 AEEERN CC[C@H](CC#N)OC(=O)C(C)(C)C 388619355 697980230 /nfs/dbraw/zinc/98/02/30/697980230.db2.gz DWXSXAAKLAUMFF-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN CC(C)C(=O)O[C@@H](C)C(C)(C)C#N 388620711 697980576 /nfs/dbraw/zinc/98/05/76/697980576.db2.gz FIZBLWVMTFHPDC-QMMMGPOBSA-N 0 0 183.251 2.124 10 30 AEEERN CC(C)C(=O)O[C@H](C)C(C)(C)C#N 388620708 697980823 /nfs/dbraw/zinc/98/08/23/697980823.db2.gz FIZBLWVMTFHPDC-MRVPVSSYSA-N 0 0 183.251 2.124 10 30 AEEERN C#CC[C@@H](OC(=O)CCC)C(C)C 388623839 697981252 /nfs/dbraw/zinc/98/12/52/697981252.db2.gz GFQOHYOPUCMBIG-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN C#CC[C@H](OC(=O)CCC)C(C)C 388623838 697981298 /nfs/dbraw/zinc/98/12/98/697981298.db2.gz GFQOHYOPUCMBIG-JTQLQIEISA-N 0 0 182.263 2.378 10 30 AEEERN CC(C)[C@@H](C)OC(=O)CCCC#N 388625957 697981727 /nfs/dbraw/zinc/98/17/27/697981727.db2.gz GYUTYHFUHGJNHI-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN COCCCC(C)=NOC1CCC1 388624876 697981729 /nfs/dbraw/zinc/98/17/29/697981729.db2.gz GOBXTOAKJSIDEH-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN CC(C)[C@H](C)OC(=O)CCCC#N 388625958 697981856 /nfs/dbraw/zinc/98/18/56/697981856.db2.gz GYUTYHFUHGJNHI-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@H](OC(=O)CCCC)C1CC1 388626267 697981895 /nfs/dbraw/zinc/98/18/95/697981895.db2.gz HDHVMSFZOLOQEO-JTQLQIEISA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H](OC(=O)CCCC)C1CC1 388626282 697981897 /nfs/dbraw/zinc/98/18/97/697981897.db2.gz HDHVMSFZOLOQEO-SNVBAGLBSA-N 0 0 180.247 2.132 10 30 AEEERN CCC(=NOCCCOC)C(C)C 388628373 697982481 /nfs/dbraw/zinc/98/24/81/697982481.db2.gz HWDDGUBQKCDRGK-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN C#CCOC(=O)c1ccc(CC)s1 388628879 697982526 /nfs/dbraw/zinc/98/25/26/697982526.db2.gz IAMNHGMYNXTDAT-UHFFFAOYSA-N 0 0 194.255 2.101 10 30 AEEERN C=CCCCNC(=O)[C@H](F)C(C)C 388631609 697982767 /nfs/dbraw/zinc/98/27/67/697982767.db2.gz LCULTMDFNWCYFW-SECBINFHSA-N 0 0 187.258 2.063 10 30 AEEERN C=CCCCNC(=O)[C@@H](F)C(C)C 388631611 697982979 /nfs/dbraw/zinc/98/29/79/697982979.db2.gz LCULTMDFNWCYFW-VIFPVBQESA-N 0 0 187.258 2.063 10 30 AEEERN CC#CCOC(=O)/C=C/C(C)(C)C 388643134 697983902 /nfs/dbraw/zinc/98/39/02/697983902.db2.gz PIMRKQCMUUHLRU-BQYQJAHWSA-N 0 0 180.247 2.155 10 30 AEEERN C=C(C)CCON=C(N)CC(C)C 388642640 697983907 /nfs/dbraw/zinc/98/39/07/697983907.db2.gz PDOZHGJLAROCRJ-UHFFFAOYSA-N 0 0 184.283 2.497 10 30 AEEERN C#CCON=C(C)CCC(F)(F)F 388642039 697984044 /nfs/dbraw/zinc/98/40/44/697984044.db2.gz OXLICUZYJWSIDI-UHFFFAOYSA-N 0 0 193.168 2.355 10 30 AEEERN CC#CCOC(=O)/C=C\C(C)(C)C 388643137 697984155 /nfs/dbraw/zinc/98/41/55/697984155.db2.gz PIMRKQCMUUHLRU-FPLPWBNLSA-N 0 0 180.247 2.155 10 30 AEEERN C=CCCCC(=O)N(C)CC1CC1 388654724 697985295 /nfs/dbraw/zinc/98/52/95/697985295.db2.gz SVVLUEVROADROD-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(CC)COC(=O)/C=C/C1CC1 388661073 697985399 /nfs/dbraw/zinc/98/53/99/697985399.db2.gz VLHMAZALFYVBHW-VOTSOKGWSA-N 0 0 180.247 2.462 10 30 AEEERN C=C(CC)COC(=O)/C=C\C1CC1 388661072 697985660 /nfs/dbraw/zinc/98/56/60/697985660.db2.gz VLHMAZALFYVBHW-SREVYHEPSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCCCNC(=O)C=C1CCC1 388662294 697986131 /nfs/dbraw/zinc/98/61/31/697986131.db2.gz VSEXFUSSFHAVBN-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN CC[C@H](CC#N)OC(=O)CC(C)C 388691614 697987218 /nfs/dbraw/zinc/98/72/18/697987218.db2.gz KZINFKQZJBKECD-SECBINFHSA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@@H](CC#N)OC(=O)CC(C)C 388691615 697987570 /nfs/dbraw/zinc/98/75/70/697987570.db2.gz KZINFKQZJBKECD-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccoc1C 388701838 697988703 /nfs/dbraw/zinc/98/87/03/697988703.db2.gz NLVGXMUUMMGJDC-SSDOTTSWSA-N 0 0 180.203 2.319 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccoc1C 388701839 697988736 /nfs/dbraw/zinc/98/87/36/697988736.db2.gz NLVGXMUUMMGJDC-ZETCQYMHSA-N 0 0 180.203 2.319 10 30 AEEERN CC[C@H](C)CC(=O)O[C@H](C)CC#N 388713080 697989479 /nfs/dbraw/zinc/98/94/79/697989479.db2.gz QCHSNWJWTOIBHD-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@H](CC)OC(=O)C1CCCC1 388716867 697989556 /nfs/dbraw/zinc/98/95/56/697989556.db2.gz REKLFNHAPOIBID-SNVBAGLBSA-N 0 0 180.247 2.132 10 30 AEEERN CC[C@@H](C)CC(=O)O[C@H](C)CC#N 388713085 697989595 /nfs/dbraw/zinc/98/95/95/697989595.db2.gz QCHSNWJWTOIBHD-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@H](C)CC(=O)O[C@@H](C)CC#N 388713082 697989600 /nfs/dbraw/zinc/98/96/00/697989600.db2.gz QCHSNWJWTOIBHD-IUCAKERBSA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@@H](C)CC(=O)O[C@@H](C)CC#N 388713077 697989617 /nfs/dbraw/zinc/98/96/17/697989617.db2.gz QCHSNWJWTOIBHD-BDAKNGLRSA-N 0 0 183.251 2.268 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1CCCC1 388716864 697989729 /nfs/dbraw/zinc/98/97/29/697989729.db2.gz REKLFNHAPOIBID-JTQLQIEISA-N 0 0 180.247 2.132 10 30 AEEERN COC(C)(C)CC=NOCC(C)C 388721003 697990349 /nfs/dbraw/zinc/99/03/49/697990349.db2.gz SKKZWTBZUZWKCT-UHFFFAOYSA-N 0 0 187.283 2.460 10 30 AEEERN C#C[C@@H](C)OC(=O)C(C)(C)C(C)C 388730994 697990666 /nfs/dbraw/zinc/99/06/66/697990666.db2.gz VHMDSIKKGLJMEN-SECBINFHSA-N 0 0 182.263 2.234 10 30 AEEERN C#C[C@H](C)OC(=O)C(C)(C)C(C)C 388730996 697990781 /nfs/dbraw/zinc/99/07/81/697990781.db2.gz VHMDSIKKGLJMEN-VIFPVBQESA-N 0 0 182.263 2.234 10 30 AEEERN C#CCCCC(=O)OC1(C)CCC1 388730185 697990939 /nfs/dbraw/zinc/99/09/39/697990939.db2.gz VDEDLVIGOZYFNB-UHFFFAOYSA-N 0 0 180.247 2.276 10 30 AEEERN C#CCC1(OC(=O)C(C)C)CCC1 388733730 697990850 /nfs/dbraw/zinc/99/08/50/697990850.db2.gz VXWBOKVHVJLUTR-UHFFFAOYSA-N 0 0 180.247 2.132 10 30 AEEERN C=CCCCC(=O)N1[C@@H](C)C[C@@H]1C 388746675 697991768 /nfs/dbraw/zinc/99/17/68/697991768.db2.gz ZGKLPKDRKDUSOM-UWVGGRQHSA-N 0 0 181.279 2.352 10 30 AEEERN CCCC(=O)O[C@@H](C)C(C)(C)C#N 388743464 697991777 /nfs/dbraw/zinc/99/17/77/697991777.db2.gz YNEDTAHORBOEJZ-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN C=CCCCC(=O)N1[C@H](C)C[C@H]1C 388746673 697991781 /nfs/dbraw/zinc/99/17/81/697991781.db2.gz ZGKLPKDRKDUSOM-NXEZZACHSA-N 0 0 181.279 2.352 10 30 AEEERN CC(C)C(=O)O[C@@H](C#N)C(C)(C)C 388744353 697991792 /nfs/dbraw/zinc/99/17/92/697991792.db2.gz YRHJNXAXOJUSRJ-QMMMGPOBSA-N 0 0 183.251 2.124 10 30 AEEERN C=CCCCC(=O)N1[C@@H](C)C[C@H]1C 388746671 697991809 /nfs/dbraw/zinc/99/18/09/697991809.db2.gz ZGKLPKDRKDUSOM-AOOOYVTPSA-N 0 0 181.279 2.352 10 30 AEEERN C=C[C@H](C)OC(=O)c1coc(C)c1 388739653 697991898 /nfs/dbraw/zinc/99/18/98/697991898.db2.gz XNRUDXNKHMQRHH-ZETCQYMHSA-N 0 0 180.203 2.319 10 30 AEEERN CCCC(=O)O[C@H](C)C(C)(C)C#N 388743461 697991932 /nfs/dbraw/zinc/99/19/32/697991932.db2.gz YNEDTAHORBOEJZ-MRVPVSSYSA-N 0 0 183.251 2.268 10 30 AEEERN C[C@H](CC#N)OC(=O)c1ccsc1 388740428 697991959 /nfs/dbraw/zinc/99/19/59/697991959.db2.gz XRUWUQDWRFCSGF-SSDOTTSWSA-N 0 0 195.243 2.207 10 30 AEEERN C[C@@H](CC#N)OC(=O)c1ccsc1 388740444 697991988 /nfs/dbraw/zinc/99/19/88/697991988.db2.gz XRUWUQDWRFCSGF-ZETCQYMHSA-N 0 0 195.243 2.207 10 30 AEEERN CC(C)C(=O)O[C@H](C#N)C(C)(C)C 388744352 697991993 /nfs/dbraw/zinc/99/19/93/697991993.db2.gz YRHJNXAXOJUSRJ-MRVPVSSYSA-N 0 0 183.251 2.124 10 30 AEEERN C=C[C@@H](C)OC(=O)c1coc(C)c1 388739652 697992145 /nfs/dbraw/zinc/99/21/45/697992145.db2.gz XNRUDXNKHMQRHH-SSDOTTSWSA-N 0 0 180.203 2.319 10 30 AEEERN C=CCCC(=O)O[C@H](C)C(F)(F)F 388747599 697992363 /nfs/dbraw/zinc/99/23/63/697992363.db2.gz ZJMOXVNCEOBEGK-ZCFIWIBFSA-N 0 0 196.168 2.447 10 30 AEEERN C=CCCC(=O)O[C@@H](C)C(F)(F)F 388747598 697992470 /nfs/dbraw/zinc/99/24/70/697992470.db2.gz ZJMOXVNCEOBEGK-LURJTMIESA-N 0 0 196.168 2.447 10 30 AEEERN C#CCCCOC(=O)[C@H](C)C(C)C 388751054 697992708 /nfs/dbraw/zinc/99/27/08/697992708.db2.gz BRKNLPUNZNHRRO-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN C#CCCCOC(=O)[C@@H](C)C(C)C 388751053 697992506 /nfs/dbraw/zinc/99/25/06/697992506.db2.gz BRKNLPUNZNHRRO-JTQLQIEISA-N 0 0 182.263 2.235 10 30 AEEERN C=CCCN(C)C(=O)C=C1CCC1 388754615 697992851 /nfs/dbraw/zinc/99/28/51/697992851.db2.gz CNJLUKRMBAHQDH-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN CC[C@H](C)CON=C1CCO[C@@H]1C 388752715 697992906 /nfs/dbraw/zinc/99/29/06/697992906.db2.gz CEKMCYZNTOZNED-DTWKUNHWSA-N 0 0 185.267 2.214 10 30 AEEERN CC[C@H](C)CON=C1CCO[C@H]1C 388752718 697992955 /nfs/dbraw/zinc/99/29/55/697992955.db2.gz CEKMCYZNTOZNED-IUCAKERBSA-N 0 0 185.267 2.214 10 30 AEEERN CC[C@@H](C)CON=C1CCO[C@@H]1C 388752720 697992969 /nfs/dbraw/zinc/99/29/69/697992969.db2.gz CEKMCYZNTOZNED-RKDXNWHRSA-N 0 0 185.267 2.214 10 30 AEEERN CC[C@@H](C)CON=C1CCO[C@H]1C 388752713 697993108 /nfs/dbraw/zinc/99/31/08/697993108.db2.gz CEKMCYZNTOZNED-BDAKNGLRSA-N 0 0 185.267 2.214 10 30 AEEERN COC[C@H](C)C(C)=NOCC(C)C 388775867 697994651 /nfs/dbraw/zinc/99/46/51/697994651.db2.gz HZYKQIPJJNNWID-VIFPVBQESA-N 0 0 187.283 2.317 10 30 AEEERN C[C@@H](C#N)COC(=O)c1cccs1 388777524 697994737 /nfs/dbraw/zinc/99/47/37/697994737.db2.gz IOLXMPDBAMIWJO-ZETCQYMHSA-N 0 0 195.243 2.065 10 30 AEEERN COC[C@@H](C)C(C)=NOCC(C)C 388775865 697994749 /nfs/dbraw/zinc/99/47/49/697994749.db2.gz HZYKQIPJJNNWID-SECBINFHSA-N 0 0 187.283 2.317 10 30 AEEERN C#CCCCOC(=O)/C=C\C(C)C 388779609 697994784 /nfs/dbraw/zinc/99/47/84/697994784.db2.gz JFXBMONVECEBJQ-FPLPWBNLSA-N 0 0 180.247 2.155 10 30 AEEERN C[C@H](C#N)COC(=O)c1cccs1 388777502 697994789 /nfs/dbraw/zinc/99/47/89/697994789.db2.gz IOLXMPDBAMIWJO-SSDOTTSWSA-N 0 0 195.243 2.065 10 30 AEEERN C#CCCCOC(=O)/C=C/C(C)C 388779607 697994951 /nfs/dbraw/zinc/99/49/51/697994951.db2.gz JFXBMONVECEBJQ-BQYQJAHWSA-N 0 0 180.247 2.155 10 30 AEEERN CC[C@@H](C#N)OC(=O)/C=C/C(C)C 388783933 697995363 /nfs/dbraw/zinc/99/53/63/697995363.db2.gz KFDNORKNDBPDDQ-CYNONHLPSA-N 0 0 181.235 2.044 10 30 AEEERN CC[C@H](C#N)OC(=O)/C=C\C(C)C 388783934 697995505 /nfs/dbraw/zinc/99/55/05/697995505.db2.gz KFDNORKNDBPDDQ-SSJHQANKSA-N 0 0 181.235 2.044 10 30 AEEERN CC[C@H](C#N)OC(=O)/C=C/C(C)C 388783936 697995517 /nfs/dbraw/zinc/99/55/17/697995517.db2.gz KFDNORKNDBPDDQ-VUHVRTRXSA-N 0 0 181.235 2.044 10 30 AEEERN CC[C@@H](C#N)OC(=O)/C=C\C(C)C 388783935 697995544 /nfs/dbraw/zinc/99/55/44/697995544.db2.gz KFDNORKNDBPDDQ-UDIARPCQSA-N 0 0 181.235 2.044 10 30 AEEERN CCCCC(=O)O[C@H](CC)CC#N 388790959 697995942 /nfs/dbraw/zinc/99/59/42/697995942.db2.gz LVQOKJIUTCLDDQ-SECBINFHSA-N 0 0 183.251 2.412 10 30 AEEERN CCCCC(=O)O[C@@H](CC)CC#N 388790962 697995988 /nfs/dbraw/zinc/99/59/88/697995988.db2.gz LVQOKJIUTCLDDQ-VIFPVBQESA-N 0 0 183.251 2.412 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@H](F)C(C)C 388806701 697997477 /nfs/dbraw/zinc/99/74/77/697997477.db2.gz QFSFXSLIVZYWDG-DTWKUNHWSA-N 0 0 188.242 2.488 10 30 AEEERN C=C(C)[C@H](C)OC(=O)[C@@H](F)C(C)C 388806702 697997485 /nfs/dbraw/zinc/99/74/85/697997485.db2.gz QFSFXSLIVZYWDG-IUCAKERBSA-N 0 0 188.242 2.488 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@@H](F)C(C)C 388806699 697997495 /nfs/dbraw/zinc/99/74/95/697997495.db2.gz QFSFXSLIVZYWDG-BDAKNGLRSA-N 0 0 188.242 2.488 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)[C@H](F)C(C)C 388806704 697997497 /nfs/dbraw/zinc/99/74/97/697997497.db2.gz QFSFXSLIVZYWDG-RKDXNWHRSA-N 0 0 188.242 2.488 10 30 AEEERN CC(C)=CC(=O)O[C@@H](C#N)C(C)C 388813749 697997631 /nfs/dbraw/zinc/99/76/31/697997631.db2.gz RUUQIHTTWMUTJU-VIFPVBQESA-N 0 0 181.235 2.044 10 30 AEEERN C[C@@H](CC#N)OC(=O)CCC1CC1 388813013 697997686 /nfs/dbraw/zinc/99/76/86/697997686.db2.gz RRBFRUORWJSFQQ-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN CC(C)=CC(=O)O[C@H](C#N)C(C)C 388813747 697997775 /nfs/dbraw/zinc/99/77/75/697997775.db2.gz RUUQIHTTWMUTJU-SECBINFHSA-N 0 0 181.235 2.044 10 30 AEEERN C[C@H](CC#N)OC(=O)CCC1CC1 388813012 697997725 /nfs/dbraw/zinc/99/77/25/697997725.db2.gz RRBFRUORWJSFQQ-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN COCCCC=NOC1CCCC1 388825915 697998262 /nfs/dbraw/zinc/99/82/62/697998262.db2.gz VGFDGGJBFVRFEI-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN C#CCCCC(=O)OCC(C)(C)C 388835923 697999407 /nfs/dbraw/zinc/99/94/07/697999407.db2.gz XLPFAUBQYRZMBK-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C=CCCCNC(=O)CCCC=C 388854898 698000337 /nfs/dbraw/zinc/00/03/37/698000337.db2.gz CGWTZYWALGORCF-UHFFFAOYSA-N 0 0 181.279 2.425 10 30 AEEERN CON=C(C)c1ccc(F)cc1F 388857076 698000405 /nfs/dbraw/zinc/00/04/05/698000405.db2.gz CTSHZJFJIAAKDP-UHFFFAOYSA-N 0 0 185.173 2.335 10 30 AEEERN CC[C@H](C#N)OC(=O)c1ccsc1 388864631 698000572 /nfs/dbraw/zinc/00/05/72/698000572.db2.gz FMFOOXNSAIJSTP-MRVPVSSYSA-N 0 0 195.243 2.207 10 30 AEEERN CC[C@@H](C#N)OC(=O)c1ccsc1 388864632 698000585 /nfs/dbraw/zinc/00/05/85/698000585.db2.gz FMFOOXNSAIJSTP-QMMMGPOBSA-N 0 0 195.243 2.207 10 30 AEEERN C#CCCCSCCn1cccn1 388851522 698000611 /nfs/dbraw/zinc/00/06/11/698000611.db2.gz BFXNWHCBXRJDHI-UHFFFAOYSA-N 0 0 194.303 2.030 10 30 AEEERN C#CCCCOC(=O)C(CC)CC 388872951 698000833 /nfs/dbraw/zinc/00/08/33/698000833.db2.gz HGSBMJSIPDHRCZ-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C=CCCCN(C)C(=O)C(C)(F)F 388919652 698002713 /nfs/dbraw/zinc/00/27/13/698002713.db2.gz RHVZMAFLLMGPBV-UHFFFAOYSA-N 0 0 191.221 2.066 10 30 AEEERN C=C(C)[C@H](C)OC(=O)C1CC=CC1 388927091 698002821 /nfs/dbraw/zinc/00/28/21/698002821.db2.gz SSZWOUSSBABPTI-VIFPVBQESA-N 0 0 180.247 2.460 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)C1CC=CC1 388927090 698002951 /nfs/dbraw/zinc/00/29/51/698002951.db2.gz SSZWOUSSBABPTI-SECBINFHSA-N 0 0 180.247 2.460 10 30 AEEERN C#CCCCC(=O)OCCC(=C)C 388912535 698002999 /nfs/dbraw/zinc/00/29/99/698002999.db2.gz PRTVECWWFBQMAG-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C=C(Cl)CNCc1ccnc(C)c1 391215193 698012011 /nfs/dbraw/zinc/01/20/11/698012011.db2.gz SBCSFPPOEVWFNM-UHFFFAOYSA-N 0 0 196.681 2.232 10 30 AEEERN C=C(Cl)COC(=O)/C=C/C1CC1 393315790 698014126 /nfs/dbraw/zinc/01/41/26/698014126.db2.gz OTOOHINROSLNAQ-SNAWJCMRSA-N 0 0 186.638 2.248 10 30 AEEERN C=C(Cl)COC(=O)/C=C\C1CC1 393315786 698014319 /nfs/dbraw/zinc/01/43/19/698014319.db2.gz OTOOHINROSLNAQ-PLNGDYQASA-N 0 0 186.638 2.248 10 30 AEEERN C#CCON=C(C)c1ccsc1 393313100 698014356 /nfs/dbraw/zinc/01/43/56/698014356.db2.gz APGAUMJNRALORT-UHFFFAOYSA-N 0 0 179.244 2.122 10 30 AEEERN C=CCCOC(=O)c1ccoc1 393330404 698016008 /nfs/dbraw/zinc/01/60/08/698016008.db2.gz GTJMVFFOZWMSGD-UHFFFAOYSA-N 0 0 166.176 2.013 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H](F)C(C)C 393338032 698017054 /nfs/dbraw/zinc/01/70/54/698017054.db2.gz NEZCRVKUXQLOJL-SFYZADRCSA-N 0 0 174.215 2.098 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](F)C(C)C 393338030 698017123 /nfs/dbraw/zinc/01/71/23/698017123.db2.gz NEZCRVKUXQLOJL-HTQZYQBOSA-N 0 0 174.215 2.098 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](F)C(C)C 393338031 698017153 /nfs/dbraw/zinc/01/71/53/698017153.db2.gz NEZCRVKUXQLOJL-JGVFFNPUSA-N 0 0 174.215 2.098 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H](F)C(C)C 393338033 698017176 /nfs/dbraw/zinc/01/71/76/698017176.db2.gz NEZCRVKUXQLOJL-YUMQZZPRSA-N 0 0 174.215 2.098 10 30 AEEERN C1CSCC(=NOC2CCC2)C1 393437421 698017682 /nfs/dbraw/zinc/01/76/82/698017682.db2.gz VTNQPXJLTDEFFZ-UHFFFAOYSA-N 0 0 185.292 2.439 10 30 AEEERN C[C@@H]1C(=NOCC(F)F)C[C@H]1C 393424551 698017798 /nfs/dbraw/zinc/01/77/98/698017798.db2.gz FOTDPPISSNSVGZ-RITPCOANSA-N 0 0 177.194 2.300 10 30 AEEERN COCCCON=C1CC(C)(C)C1 393465289 698017821 /nfs/dbraw/zinc/01/78/21/698017821.db2.gz HXOACDIQTAWDPB-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CCOCCON=C1C[C@@H](C)[C@H]1C 393507519 698018337 /nfs/dbraw/zinc/01/83/37/698018337.db2.gz XSSXJENUFWNXMB-RKDXNWHRSA-N 0 0 185.267 2.071 10 30 AEEERN CCOCCON=C1C[C@H](C)[C@@H]1C 393507518 698018423 /nfs/dbraw/zinc/01/84/23/698018423.db2.gz XSSXJENUFWNXMB-IUCAKERBSA-N 0 0 185.267 2.071 10 30 AEEERN C=C(C)CNN=C1CCS[C@H]1C 393509295 698018521 /nfs/dbraw/zinc/01/85/21/698018521.db2.gz SBLVIFAYGGOECR-QMMMGPOBSA-N 0 0 184.308 2.034 10 30 AEEERN CC(C)C1CC(=NNCC(F)F)C1 393558821 698019189 /nfs/dbraw/zinc/01/91/89/698019189.db2.gz HUDBFMQYNVMOIK-UHFFFAOYSA-N 0 0 190.237 2.263 10 30 AEEERN C#CCCOC(=O)[C@@H](C)CC(=C)C 393545549 698019226 /nfs/dbraw/zinc/01/92/26/698019226.db2.gz DWSCMUYYEWZUGI-JTQLQIEISA-N 0 0 180.247 2.155 10 30 AEEERN C=C(C)COC(=O)[C@H]1C[C@@H]1C(C)C 393722826 698026798 /nfs/dbraw/zinc/02/67/98/698026798.db2.gz KQGFGFSLIDQXBL-ZJUUUORDSA-N 0 0 182.263 2.398 10 30 AEEERN CC/C=C(\C)C(=O)OC[C@@H](C)C#N 393704712 698022005 /nfs/dbraw/zinc/02/20/05/698022005.db2.gz BPZMBOOVOHMGMK-MOIHINDBSA-N 0 0 181.235 2.046 10 30 AEEERN CC/C=C(/C)C(=O)OC[C@H](C)C#N 393704710 698022100 /nfs/dbraw/zinc/02/21/00/698022100.db2.gz BPZMBOOVOHMGMK-CPJBWDMUSA-N 0 0 181.235 2.046 10 30 AEEERN CC/C=C(/C)C(=O)OC[C@@H](C)C#N 393704711 698022156 /nfs/dbraw/zinc/02/21/56/698022156.db2.gz BPZMBOOVOHMGMK-HXOPTJOXSA-N 0 0 181.235 2.046 10 30 AEEERN CC/C=C(\C)C(=O)OC[C@H](C)C#N 393704708 698022286 /nfs/dbraw/zinc/02/22/86/698022286.db2.gz BPZMBOOVOHMGMK-CBVZUMJXSA-N 0 0 181.235 2.046 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1cncs1 393706384 698022633 /nfs/dbraw/zinc/02/26/33/698022633.db2.gz UOKQTKJUHIIPME-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN CC#CCCOC(=O)C1=CCCC1 393709162 698022679 /nfs/dbraw/zinc/02/26/79/698022679.db2.gz DOIBEIXECWENEH-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN C=C(C)[C@H](C)OC(=O)c1cncs1 393706385 698022808 /nfs/dbraw/zinc/02/28/08/698022808.db2.gz UOKQTKJUHIIPME-ZETCQYMHSA-N 0 0 197.259 2.265 10 30 AEEERN CCCNN=C/C=C/c1ccco1 393707787 698022860 /nfs/dbraw/zinc/02/28/60/698022860.db2.gz ATEVPAKRXCWKCS-MNELVIEPSA-N 0 0 178.235 2.278 10 30 AEEERN CCCNN=C/C=C\c1ccco1 393707784 698022870 /nfs/dbraw/zinc/02/28/70/698022870.db2.gz ATEVPAKRXCWKCS-DANDFFCCSA-N 0 0 178.235 2.278 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@H]1CC1(C)C 393709826 698023255 /nfs/dbraw/zinc/02/32/55/698023255.db2.gz GCYUUOGJEYEZOA-IUCAKERBSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CC1(C)C 393709824 698023301 /nfs/dbraw/zinc/02/33/01/698023301.db2.gz GCYUUOGJEYEZOA-BDAKNGLRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCC(=NNC1CC1)C1CC1 393713516 698023751 /nfs/dbraw/zinc/02/37/51/698023751.db2.gz DMVHGYQMVTZWFH-UHFFFAOYSA-N 0 0 178.279 2.471 10 30 AEEERN C=C(C)CNN=C[C@@H]1CC=CCC1 393716929 698024978 /nfs/dbraw/zinc/02/49/78/698024978.db2.gz VRXHXXZBDQWENL-LLVKDONJSA-N 0 0 178.279 2.494 10 30 AEEERN C=C(C)CNN=C[C@H]1CC=CCC1 393716930 698025264 /nfs/dbraw/zinc/02/52/64/698025264.db2.gz VRXHXXZBDQWENL-NSHDSACASA-N 0 0 178.279 2.494 10 30 AEEERN C=CCCC(=O)OCc1ccoc1 393718252 698025492 /nfs/dbraw/zinc/02/54/92/698025492.db2.gz UBULGCRFRZGFBI-UHFFFAOYSA-N 0 0 180.203 2.289 10 30 AEEERN Cc1cc(C=NOCC2CC2)sn1 393718974 698025880 /nfs/dbraw/zinc/02/58/80/698025880.db2.gz HUQUHSFKNZMWFO-UHFFFAOYSA-N 0 0 196.275 2.212 10 30 AEEERN CCCCC(=O)OC1(C#N)CCC1 393720515 698026168 /nfs/dbraw/zinc/02/61/68/698026168.db2.gz HUBUONXCBXJRFF-UHFFFAOYSA-N 0 0 181.235 2.166 10 30 AEEERN C=C(C)COC(=O)[C@H]1C[C@H]1C(C)C 393722824 698026650 /nfs/dbraw/zinc/02/66/50/698026650.db2.gz KQGFGFSLIDQXBL-UWVGGRQHSA-N 0 0 182.263 2.398 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@H]1C(C)C 393722825 698026664 /nfs/dbraw/zinc/02/66/64/698026664.db2.gz KQGFGFSLIDQXBL-VHSXEESVSA-N 0 0 182.263 2.398 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@@H]1C(C)C 393722823 698026683 /nfs/dbraw/zinc/02/66/83/698026683.db2.gz KQGFGFSLIDQXBL-NXEZZACHSA-N 0 0 182.263 2.398 10 30 AEEERN CC(C)(C)CC(=O)OC(C)(C)C#N 393722693 698026698 /nfs/dbraw/zinc/02/66/98/698026698.db2.gz JPEMKPGNXUYAMW-UHFFFAOYSA-N 0 0 183.251 2.268 10 30 AEEERN CSCCON=C1C[C@@H](C)[C@@H]1C 393924179 698028560 /nfs/dbraw/zinc/02/85/60/698028560.db2.gz PASRLEDGMMSWQF-SFYZADRCSA-N 0 0 187.308 2.398 10 30 AEEERN CSCCON=C1C[C@@H](C)[C@H]1C 393924175 698028639 /nfs/dbraw/zinc/02/86/39/698028639.db2.gz PASRLEDGMMSWQF-HTQZYQBOSA-N 0 0 187.308 2.398 10 30 AEEERN C=C(C)CNN=C1CC[C@H](C)C1 393939567 698028664 /nfs/dbraw/zinc/02/86/64/698028664.db2.gz GPZGNHFKLDHRCX-VIFPVBQESA-N 0 0 166.268 2.328 10 30 AEEERN C=C(C)CNN=C1CC[C@@H](C)C1 393939566 698028710 /nfs/dbraw/zinc/02/87/10/698028710.db2.gz GPZGNHFKLDHRCX-SECBINFHSA-N 0 0 166.268 2.328 10 30 AEEERN CSCCON=C1C[C@H](C)[C@@H]1C 393924181 698028725 /nfs/dbraw/zinc/02/87/25/698028725.db2.gz PASRLEDGMMSWQF-YUMQZZPRSA-N 0 0 187.308 2.398 10 30 AEEERN CSCCON=C1C[C@H](C)[C@H]1C 393924177 698028822 /nfs/dbraw/zinc/02/88/22/698028822.db2.gz PASRLEDGMMSWQF-JGVFFNPUSA-N 0 0 187.308 2.398 10 30 AEEERN C=CCCOC(=O)[C@H]1C[C@@H]1C(F)F 393924869 698028850 /nfs/dbraw/zinc/02/88/50/698028850.db2.gz FIGXXHBKWLPHCI-BQBZGAKWSA-N 0 0 190.189 2.007 10 30 AEEERN COCCCON=CC1CCCC1 394294965 698029800 /nfs/dbraw/zinc/02/98/00/698029800.db2.gz ACCRXWMKICOQKY-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C=CCCOC(=O)C1CC(F)(F)C1 394276483 698029991 /nfs/dbraw/zinc/02/99/91/698029991.db2.gz CPUSPNJIONFJGZ-UHFFFAOYSA-N 0 0 190.189 2.151 10 30 AEEERN C#CCN(CC)C(=O)[C@H](C)C(C)(C)C 399248956 698042846 /nfs/dbraw/zinc/04/28/46/698042846.db2.gz HESIQUWXTGRNEN-JTQLQIEISA-N 0 0 195.306 2.150 10 30 AEEERN C#CCN(CC)C(=O)[C@@H](C)C(C)(C)C 399248957 698043077 /nfs/dbraw/zinc/04/30/77/698043077.db2.gz HESIQUWXTGRNEN-SNVBAGLBSA-N 0 0 195.306 2.150 10 30 AEEERN Cc1nnc(C#CC(C)(C)C)s1 585143645 698044611 /nfs/dbraw/zinc/04/46/11/698044611.db2.gz DWPFPFVCKSFGCH-UHFFFAOYSA-N 0 0 180.276 2.244 10 30 AEEERN C#CC(=O)Nc1ccccc1CCC 606258366 698047728 /nfs/dbraw/zinc/04/77/28/698047728.db2.gz BURQNVLMYQQKMM-UHFFFAOYSA-N 0 0 187.242 2.211 10 30 AEEERN C#CC(=O)Nc1ccc(CCC)cc1 606258332 698047774 /nfs/dbraw/zinc/04/77/74/698047774.db2.gz AJTOCOWWYXZINV-UHFFFAOYSA-N 0 0 187.242 2.211 10 30 AEEERN C#CC(=O)Nc1ccc(C)c(CC)c1 606258485 698047920 /nfs/dbraw/zinc/04/79/20/698047920.db2.gz HTOXOETVPYQLKF-UHFFFAOYSA-N 0 0 187.242 2.129 10 30 AEEERN C=C1CCCN(C(=O)c2ccco2)C1 606263070 698048769 /nfs/dbraw/zinc/04/87/69/698048769.db2.gz XUJPNMADEPRANV-UHFFFAOYSA-N 0 0 191.230 2.072 10 30 AEEERN C=C(Cl)Cn1c(C#N)nc(C)c1C 606270610 698050161 /nfs/dbraw/zinc/05/01/61/698050161.db2.gz FODFGMVGHPXSMS-UHFFFAOYSA-N 0 0 195.653 2.124 10 30 AEEERN Cc1nc(C#N)n(C/C=C\Cl)c1C 606270693 698050301 /nfs/dbraw/zinc/05/03/01/698050301.db2.gz SVUFHDAHKRXMMO-ARJAWSKDSA-N 0 0 195.653 2.124 10 30 AEEERN Cc1nc(C#N)n(C/C=C/Cl)c1C 606270694 698050378 /nfs/dbraw/zinc/05/03/78/698050378.db2.gz SVUFHDAHKRXMMO-ONEGZZNKSA-N 0 0 195.653 2.124 10 30 AEEERN C=CCOc1ccccc1C=NOC 606526265 698051147 /nfs/dbraw/zinc/05/11/47/698051147.db2.gz HAYIJOWJSGSLJN-UHFFFAOYSA-N 0 0 191.230 2.232 10 30 AEEERN C=CC1CCN(C(=O)OCCC)CC1 706428493 698054929 /nfs/dbraw/zinc/05/49/29/698054929.db2.gz ABDIHPRXAZRINZ-UHFFFAOYSA-N 0 0 197.278 2.431 10 30 AEEERN C=CCCNC(=O)C[C@@H]1C[C@H]1C1CC1 712069469 698058023 /nfs/dbraw/zinc/05/80/23/698058023.db2.gz QYQIZJWYDIOTBE-QWRGUYRKSA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 712071775 698058262 /nfs/dbraw/zinc/05/82/62/698058262.db2.gz YSRZPKGZWJTMHX-QWRGUYRKSA-N 0 0 193.290 2.115 10 30 AEEERN CC(F)(F)CCCn1cc(C#N)cn1 718628441 698066722 /nfs/dbraw/zinc/06/67/22/698066722.db2.gz FUTHMMJQQVYMPK-UHFFFAOYSA-N 0 0 199.204 2.190 10 30 AEEERN CCC1(CC)CCCN1C(=O)CC#N 721241694 698068943 /nfs/dbraw/zinc/06/89/43/698068943.db2.gz YUPZWZCBAZWHEY-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN C#CCN(C(=O)[C@@H](C)CC)C(C)(C)C 723031022 698071612 /nfs/dbraw/zinc/07/16/12/698071612.db2.gz UIQATSZJCKQAMG-JTQLQIEISA-N 0 0 195.306 2.293 10 30 AEEERN C#CCN(C(=O)CCC)C(C)(C)C 723030560 698071787 /nfs/dbraw/zinc/07/17/87/698071787.db2.gz CILUYIHGVPNZPQ-UHFFFAOYSA-N 0 0 181.279 2.047 10 30 AEEERN C#CCN(C(=O)CCC=C)C(C)(C)C 723030996 698071854 /nfs/dbraw/zinc/07/18/54/698071854.db2.gz STVMYNAFPNRHEJ-UHFFFAOYSA-N 0 0 193.290 2.213 10 30 AEEERN C#CCN(C(=O)[C@H](C)CC)C(C)(C)C 723031023 698071860 /nfs/dbraw/zinc/07/18/60/698071860.db2.gz UIQATSZJCKQAMG-SNVBAGLBSA-N 0 0 195.306 2.293 10 30 AEEERN C#CCN(C(=O)C1CCC1)C(C)(C)C 723030966 698071884 /nfs/dbraw/zinc/07/18/84/698071884.db2.gz RJZDRKPQJHPXBU-UHFFFAOYSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(C(=O)CCCC)C(C)(C)C 723031063 698072268 /nfs/dbraw/zinc/07/22/68/698072268.db2.gz VMRXZHLADROMSM-UHFFFAOYSA-N 0 0 195.306 2.437 10 30 AEEERN C=C1CCC(CNC(=O)/C=C/C)CC1 724450815 698076451 /nfs/dbraw/zinc/07/64/51/698076451.db2.gz ATNXUQBTMFMRBY-ONEGZZNKSA-N 0 0 193.290 2.425 10 30 AEEERN C=C1CCC(CNC(=O)/C=C\C)CC1 724450814 698076507 /nfs/dbraw/zinc/07/65/07/698076507.db2.gz ATNXUQBTMFMRBY-ARJAWSKDSA-N 0 0 193.290 2.425 10 30 AEEERN C=C1CCC(CNC(=O)C2CC2)CC1 724453773 698076696 /nfs/dbraw/zinc/07/66/96/698076696.db2.gz AXULOZXEMCJSRW-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=C1CCC(CNC(=O)CC)CC1 724454462 698076880 /nfs/dbraw/zinc/07/68/80/698076880.db2.gz JNPPIIRSPSBETE-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C#CCCCOC(=O)C[C@@H]1C=CCC1 727040845 698079594 /nfs/dbraw/zinc/07/95/94/698079594.db2.gz VOMRKMWSGKGRNJ-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCCOC(=O)C[C@H]1C=CCC1 727040847 698079613 /nfs/dbraw/zinc/07/96/13/698079613.db2.gz VOMRKMWSGKGRNJ-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN C=CCCOCC(=O)OC/C=C\CC 727044582 698080010 /nfs/dbraw/zinc/08/00/10/698080010.db2.gz BPYSPBQSPDMGOD-ALCCZGGFSA-N 0 0 198.262 2.089 10 30 AEEERN C=CCCOCC(=O)OC/C=C/CC 727044583 698080015 /nfs/dbraw/zinc/08/00/15/698080015.db2.gz BPYSPBQSPDMGOD-FNORWQNLSA-N 0 0 198.262 2.089 10 30 AEEERN C(=NNc1ccccn1)c1ccoc1 727254578 698080453 /nfs/dbraw/zinc/08/04/53/698080453.db2.gz WFPGCOWHINXKII-UHFFFAOYSA-N 0 0 187.202 2.121 10 30 AEEERN C=CCCOC(=O)c1cc(C)[nH]c1C 729072831 698081055 /nfs/dbraw/zinc/08/10/55/698081055.db2.gz YOKLBSZNKIUHMF-UHFFFAOYSA-N 0 0 193.246 2.364 10 30 AEEERN CCC/C=C/C(=O)N(C)[C@H](C)CC#N 729371475 698081916 /nfs/dbraw/zinc/08/19/16/698081916.db2.gz CYMWEEJVCBHESC-VQCYPWCPSA-N 0 0 194.278 2.103 10 30 AEEERN CCC/C=C\C(=O)N(C)[C@H](C)CC#N 729371474 698082009 /nfs/dbraw/zinc/08/20/09/698082009.db2.gz CYMWEEJVCBHESC-JYESYGNLSA-N 0 0 194.278 2.103 10 30 AEEERN CCC/C=C\C(=O)N(C)[C@@H](C)CC#N 729371473 698082084 /nfs/dbraw/zinc/08/20/84/698082084.db2.gz CYMWEEJVCBHESC-GFVADAIESA-N 0 0 194.278 2.103 10 30 AEEERN CCC/C=C/C(=O)N(C)[C@@H](C)CC#N 729371472 698082135 /nfs/dbraw/zinc/08/21/35/698082135.db2.gz CYMWEEJVCBHESC-FGEFZZPRSA-N 0 0 194.278 2.103 10 30 AEEERN CC(C)(C)/C=C/C(=O)OCCCC#N 732405321 698082853 /nfs/dbraw/zinc/08/28/53/698082853.db2.gz SJDLPXKTPSTEPM-VOTSOKGWSA-N 0 0 195.262 2.436 10 30 AEEERN CC(C)(C)/C=C\C(=O)OCCCC#N 732405320 698082858 /nfs/dbraw/zinc/08/28/58/698082858.db2.gz SJDLPXKTPSTEPM-SREVYHEPSA-N 0 0 195.262 2.436 10 30 AEEERN C#C[C@H](CC)OC(=O)c1ccoc1C 768046367 698091487 /nfs/dbraw/zinc/09/14/87/698091487.db2.gz GAUGUPLRDQOTRB-SECBINFHSA-N 0 0 192.214 2.157 10 30 AEEERN C#CCN1CC2(CC2)c2ccccc21 739924337 698083758 /nfs/dbraw/zinc/08/37/58/698083758.db2.gz QDFFYIMHEZPEPD-UHFFFAOYSA-N 0 0 183.254 2.171 10 30 AEEERN C#CCCNC(=O)C(C)=C1CCCC1 753618884 698085198 /nfs/dbraw/zinc/08/51/98/698085198.db2.gz TUIFVJCGPDSNOO-UHFFFAOYSA-N 0 0 191.274 2.016 10 30 AEEERN C#CC(=O)NC[C@H](CCC)CCCC 754062956 698086127 /nfs/dbraw/zinc/08/61/27/698086127.db2.gz FFUPJUJTYZIQQI-LLVKDONJSA-N 0 0 195.306 2.342 10 30 AEEERN C#CC(=O)NC[C@@H](CCC)CCCC 754062957 698086157 /nfs/dbraw/zinc/08/61/57/698086157.db2.gz FFUPJUJTYZIQQI-NSHDSACASA-N 0 0 195.306 2.342 10 30 AEEERN C=C[C@@H](CC)OC(=O)CCCC(C)=O 755836817 698086294 /nfs/dbraw/zinc/08/62/94/698086294.db2.gz JQVPKXGURWCPQK-JTQLQIEISA-N 0 0 198.262 2.254 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)CCCC(C)=O 755842110 698086350 /nfs/dbraw/zinc/08/63/50/698086350.db2.gz KFBNNNZXDFIOKJ-SNVBAGLBSA-N 0 0 198.262 2.254 10 30 AEEERN C=C[C@H](CC)OC(=O)CCCC(C)=O 755836820 698086373 /nfs/dbraw/zinc/08/63/73/698086373.db2.gz JQVPKXGURWCPQK-SNVBAGLBSA-N 0 0 198.262 2.254 10 30 AEEERN COC[C@@H](C)CN=Nc1ccccc1 755875567 698086481 /nfs/dbraw/zinc/08/64/81/698086481.db2.gz WCDKAXVPDHUDDT-JTQLQIEISA-N 0 0 192.262 2.367 10 30 AEEERN COC[C@H](C)CN=Nc1ccccc1 755875571 698086495 /nfs/dbraw/zinc/08/64/95/698086495.db2.gz WCDKAXVPDHUDDT-SNVBAGLBSA-N 0 0 192.262 2.367 10 30 AEEERN C=C(C)[C@H](C)OC(=O)CCCC(C)=O 755842108 698086516 /nfs/dbraw/zinc/08/65/16/698086516.db2.gz KFBNNNZXDFIOKJ-JTQLQIEISA-N 0 0 198.262 2.254 10 30 AEEERN C#C[C@@H](OC(=O)CCC(C)C)C1CC1 760151760 698087319 /nfs/dbraw/zinc/08/73/19/698087319.db2.gz UMMRZZVOIHBLRV-LLVKDONJSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](OC(=O)C(CC)CC)C1CC1 760151631 698087357 /nfs/dbraw/zinc/08/73/57/698087357.db2.gz MFVUMVOKURGGIF-LLVKDONJSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](OC(=O)C1CCCC1)C1CC1 760151604 698087361 /nfs/dbraw/zinc/08/73/61/698087361.db2.gz IUMLNRZQZDMXCM-LLVKDONJSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H](OC(=O)CCC(C)C)C1CC1 760151761 698087377 /nfs/dbraw/zinc/08/73/77/698087377.db2.gz UMMRZZVOIHBLRV-NSHDSACASA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](OC(=O)CC(C)(C)C)C1CC1 760151515 698087419 /nfs/dbraw/zinc/08/74/19/698087419.db2.gz BCWCGHPSDTZQKJ-JTQLQIEISA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](OC(=O)C1CCCC1)C1CC1 760151605 698087420 /nfs/dbraw/zinc/08/74/20/698087420.db2.gz IUMLNRZQZDMXCM-NSHDSACASA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H](OC(=O)CC(C)(C)C)C1CC1 760151516 698087474 /nfs/dbraw/zinc/08/74/74/698087474.db2.gz BCWCGHPSDTZQKJ-SNVBAGLBSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](OC(=O)C(CC)CC)C1CC1 760151632 698087576 /nfs/dbraw/zinc/08/75/76/698087576.db2.gz MFVUMVOKURGGIF-NSHDSACASA-N 0 0 194.274 2.378 10 30 AEEERN C#CCCc1noc(/C=C/C=C/C)n1 762015782 698088824 /nfs/dbraw/zinc/08/88/24/698088824.db2.gz DBAYARQLDFKJIA-WJDMQLPWSA-N 0 0 188.230 2.225 10 30 AEEERN C#CCCc1noc(/C=C/C=C\C)n1 762015780 698088872 /nfs/dbraw/zinc/08/88/72/698088872.db2.gz DBAYARQLDFKJIA-AACIIYHXSA-N 0 0 188.230 2.225 10 30 AEEERN CON=C(C)c1ccc(F)c(OC)c1 765573561 698089205 /nfs/dbraw/zinc/08/92/05/698089205.db2.gz YJWWVLLIFYDKFK-UHFFFAOYSA-N 0 0 197.209 2.205 10 30 AEEERN C#CCCNC(=O)/C=C/C(=C/C)CC 765546714 698089412 /nfs/dbraw/zinc/08/94/12/698089412.db2.gz UEKMIGNZAHZICI-SXGHKVHISA-N 0 0 191.274 2.038 10 30 AEEERN C#CCCNC(=O)/C=C/C(=C\C)CC 765546711 698089436 /nfs/dbraw/zinc/08/94/36/698089436.db2.gz UEKMIGNZAHZICI-ODPXIJKVSA-N 0 0 191.274 2.038 10 30 AEEERN CCON=C(C)c1ccncc1CC 765571550 698089561 /nfs/dbraw/zinc/08/95/61/698089561.db2.gz FEELPHIBALZUMZ-UHFFFAOYSA-N 0 0 192.262 2.405 10 30 AEEERN C#CCCOC(=O)C(F)=C1CCCC1 765494110 698089575 /nfs/dbraw/zinc/08/95/75/698089575.db2.gz BCWMCIGHWVYUHB-UHFFFAOYSA-N 0 0 196.221 2.351 10 30 AEEERN CC(C)C[C@H](C)C(=O)OC[C@@H](C)C#N 765611005 698089807 /nfs/dbraw/zinc/08/98/07/698089807.db2.gz XFUDPNNTALGCSR-UWVGGRQHSA-N 0 0 197.278 2.371 10 30 AEEERN CC(C)C[C@@H](C)C(=O)OC[C@H](C)C#N 765611004 698090020 /nfs/dbraw/zinc/09/00/20/698090020.db2.gz XFUDPNNTALGCSR-NXEZZACHSA-N 0 0 197.278 2.371 10 30 AEEERN CC(C)C[C@H](C)C(=O)OC[C@H](C)C#N 765611007 698090066 /nfs/dbraw/zinc/09/00/66/698090066.db2.gz XFUDPNNTALGCSR-ZJUUUORDSA-N 0 0 197.278 2.371 10 30 AEEERN CC(C)C[C@@H](C)C(=O)OC[C@@H](C)C#N 765611006 698090101 /nfs/dbraw/zinc/09/01/01/698090101.db2.gz XFUDPNNTALGCSR-VHSXEESVSA-N 0 0 197.278 2.371 10 30 AEEERN C#C[C@@H](C)N(C)C(=O)CCC1CCC1 767263317 698090527 /nfs/dbraw/zinc/09/05/27/698090527.db2.gz IEOWUIVVTDUZFU-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C#C[C@H](C)N(C)C(=O)CCC1CCC1 767263316 698090542 /nfs/dbraw/zinc/09/05/42/698090542.db2.gz IEOWUIVVTDUZFU-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN CC#CCOC(=O)/C=C/C(=C/C)CC 767661714 698090677 /nfs/dbraw/zinc/09/06/77/698090677.db2.gz HAYLLYZIOBEYEN-SXGHKVHISA-N 0 0 192.258 2.465 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@H](C)C(C)=O 767680407 698090785 /nfs/dbraw/zinc/09/07/85/698090785.db2.gz MRDHUQRSQBSAOB-WCBMZHEXSA-N 0 0 198.262 2.109 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(C)=O 767680405 698090842 /nfs/dbraw/zinc/09/08/42/698090842.db2.gz MRDHUQRSQBSAOB-PSASIEDQSA-N 0 0 198.262 2.109 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(C)=O 767680406 698090937 /nfs/dbraw/zinc/09/09/37/698090937.db2.gz MRDHUQRSQBSAOB-SCZZXKLOSA-N 0 0 198.262 2.109 10 30 AEEERN C#CCCCOC(=O)CCCC#CC 767665421 698090872 /nfs/dbraw/zinc/09/08/72/698090872.db2.gz GXCPNJADSFEHOI-UHFFFAOYSA-N 0 0 192.258 2.137 10 30 AEEERN C#CCC(C)(C)C(=O)OCC1CCC1 767651028 698091013 /nfs/dbraw/zinc/09/10/13/698091013.db2.gz BNNXCCQVZKPFQQ-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)/C=C/C(=C\C)CC 767661711 698091037 /nfs/dbraw/zinc/09/10/37/698091037.db2.gz HAYLLYZIOBEYEN-ODPXIJKVSA-N 0 0 192.258 2.465 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(C)=O 767680409 698091063 /nfs/dbraw/zinc/09/10/63/698091063.db2.gz MRDHUQRSQBSAOB-WPRPVWTQSA-N 0 0 198.262 2.109 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCCCC#N 767688222 698091193 /nfs/dbraw/zinc/09/11/93/698091193.db2.gz CUJUJIOVEJJBLJ-SNVBAGLBSA-N 0 0 195.262 2.436 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@H](C#N)CC 767991876 698091197 /nfs/dbraw/zinc/09/11/97/698091197.db2.gz ATVJPNUWXKHGTC-UWVGGRQHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C#N)CC 767991875 698091208 /nfs/dbraw/zinc/09/12/08/698091208.db2.gz ATVJPNUWXKHGTC-NXEZZACHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)CC#N 767990630 698091213 /nfs/dbraw/zinc/09/12/13/698091213.db2.gz OPOLUGPTVPUZPH-ZJUUUORDSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@H](C)CC#N 767990629 698091217 /nfs/dbraw/zinc/09/12/17/698091217.db2.gz OPOLUGPTVPUZPH-VHSXEESVSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@@H](C#N)CC 767991877 698091225 /nfs/dbraw/zinc/09/12/25/698091225.db2.gz ATVJPNUWXKHGTC-VHSXEESVSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCCCC#N 767688221 698091228 /nfs/dbraw/zinc/09/12/28/698091228.db2.gz CUJUJIOVEJJBLJ-JTQLQIEISA-N 0 0 195.262 2.436 10 30 AEEERN C=C(C)C[C@H](C)C(=O)O[C@@H](C)CC#N 767990628 698091243 /nfs/dbraw/zinc/09/12/43/698091243.db2.gz OPOLUGPTVPUZPH-UWVGGRQHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@H](C)CC#N 767990627 698091248 /nfs/dbraw/zinc/09/12/48/698091248.db2.gz OPOLUGPTVPUZPH-NXEZZACHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)O[C@H](C#N)CC 767991878 698091291 /nfs/dbraw/zinc/09/12/91/698091291.db2.gz ATVJPNUWXKHGTC-ZJUUUORDSA-N 0 0 195.262 2.434 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1CC[C@@H](C)C1 768040848 698091547 /nfs/dbraw/zinc/09/15/47/698091547.db2.gz HIDXHFDCJQPMNG-OUAUKWLOSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1ccoc1C 768046368 698091571 /nfs/dbraw/zinc/09/15/71/698091571.db2.gz GAUGUPLRDQOTRB-VIFPVBQESA-N 0 0 192.214 2.157 10 30 AEEERN C#CCCCCC(=O)O[C@H](C#C)CC 768043546 698091588 /nfs/dbraw/zinc/09/15/88/698091588.db2.gz IAXXMNYSBDSJDB-LLVKDONJSA-N 0 0 192.258 2.135 10 30 AEEERN C#C[C@@H](CC)OC(=O)CCCC#CC 768051297 698091600 /nfs/dbraw/zinc/09/16/00/698091600.db2.gz ULXCXYFNNIIGFB-NSHDSACASA-N 0 0 192.258 2.135 10 30 AEEERN C#C[C@H](CC)OC(=O)c1ccccc1 768046275 698091611 /nfs/dbraw/zinc/09/16/11/698091611.db2.gz BDYAMADXKAJWJB-LLVKDONJSA-N 0 0 188.226 2.255 10 30 AEEERN C#CCCCCC(=O)O[C@@H](C#C)CC 768043547 698091629 /nfs/dbraw/zinc/09/16/29/698091629.db2.gz IAXXMNYSBDSJDB-NSHDSACASA-N 0 0 192.258 2.135 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1CC[C@H](C)C1 768040846 698091678 /nfs/dbraw/zinc/09/16/78/698091678.db2.gz HIDXHFDCJQPMNG-HBNTYKKESA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@@H]1CC[C@@H](C)C1 768040844 698091706 /nfs/dbraw/zinc/09/17/06/698091706.db2.gz HIDXHFDCJQPMNG-GMTAPVOTSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@@H](CC)OC(=O)c1ccccc1 768046282 698091721 /nfs/dbraw/zinc/09/17/21/698091721.db2.gz BDYAMADXKAJWJB-NSHDSACASA-N 0 0 188.226 2.255 10 30 AEEERN C#C[C@H](CC)OC(=O)[C@H]1CC[C@H](C)C1 768040843 698091778 /nfs/dbraw/zinc/09/17/78/698091778.db2.gz HIDXHFDCJQPMNG-GARJFASQSA-N 0 0 194.274 2.378 10 30 AEEERN C=CCCCCNC(=O)/C=C/C1CC1 770083064 698092976 /nfs/dbraw/zinc/09/29/76/698092976.db2.gz SGEPZTAESGIISX-CMDGGOBGSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCCCNC(=O)/C=C\C1CC1 770083065 698093083 /nfs/dbraw/zinc/09/30/83/698093083.db2.gz SGEPZTAESGIISX-HJWRWDBZSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCC(=O)OCCc1ccoc1 777383407 698094138 /nfs/dbraw/zinc/09/41/38/698094138.db2.gz OUSPYASTTMZUIV-UHFFFAOYSA-N 0 0 194.230 2.332 10 30 AEEERN C=CCN(C)Cc1coc(C2CC2)n1 779188581 698095095 /nfs/dbraw/zinc/09/50/95/698095095.db2.gz UHJVKJJMIRUHSU-UHFFFAOYSA-N 0 0 192.262 2.170 10 30 AEEERN CC(C)(C)/C=C/C(=O)OC(C)(C)C#N 779226171 698095170 /nfs/dbraw/zinc/09/51/70/698095170.db2.gz UZWCBLHGJBWMQH-VOTSOKGWSA-N 0 0 195.262 2.434 10 30 AEEERN C/C(=C/C(=O)OC(C)(C)C#N)C1CC1 779226477 698095185 /nfs/dbraw/zinc/09/51/85/698095185.db2.gz SWSLZNSSDASUIA-VURMDHGXSA-N 0 0 193.246 2.188 10 30 AEEERN CC(C)(C)/C=C\C(=O)OC(C)(C)C#N 779226138 698095194 /nfs/dbraw/zinc/09/51/94/698095194.db2.gz UZWCBLHGJBWMQH-SREVYHEPSA-N 0 0 195.262 2.434 10 30 AEEERN C/C(=C\C(=O)OC(C)(C)C#N)C1CC1 779226476 698095199 /nfs/dbraw/zinc/09/51/99/698095199.db2.gz SWSLZNSSDASUIA-SOFGYWHQSA-N 0 0 193.246 2.188 10 30 AEEERN COCCON=C1CCC[C@H](C)[C@H]1C 781126381 698095295 /nfs/dbraw/zinc/09/52/95/698095295.db2.gz GBNYXHRJFNLZIE-VHSXEESVSA-N 0 0 199.294 2.462 10 30 AEEERN COCCON=C1CCC[C@@H](C)[C@H]1C 781126379 698095361 /nfs/dbraw/zinc/09/53/61/698095361.db2.gz GBNYXHRJFNLZIE-NXEZZACHSA-N 0 0 199.294 2.462 10 30 AEEERN COCCON=C1CCC[C@H](C)[C@@H]1C 781126380 698095457 /nfs/dbraw/zinc/09/54/57/698095457.db2.gz GBNYXHRJFNLZIE-UWVGGRQHSA-N 0 0 199.294 2.462 10 30 AEEERN C=C[C@@H](C)OC(=O)c1oc(C)nc1C 781568199 698095392 /nfs/dbraw/zinc/09/53/92/698095392.db2.gz GSPWZHWWBIRTQK-ZCFIWIBFSA-N 0 0 195.218 2.023 10 30 AEEERN C=C[C@H](C)OC(=O)c1oc(C)nc1C 781568191 698095526 /nfs/dbraw/zinc/09/55/26/698095526.db2.gz GSPWZHWWBIRTQK-LURJTMIESA-N 0 0 195.218 2.023 10 30 AEEERN CON=C(C)c1ccc(C#N)cc1F 781123860 698095542 /nfs/dbraw/zinc/09/55/42/698095542.db2.gz LVAKBCLQBCOBBQ-UHFFFAOYSA-N 0 0 192.193 2.068 10 30 AEEERN COCCON=C1CCC[C@@H](C)[C@@H]1C 781126382 698095570 /nfs/dbraw/zinc/09/55/70/698095570.db2.gz GBNYXHRJFNLZIE-ZJUUUORDSA-N 0 0 199.294 2.462 10 30 AEEERN C=C[C@H](C)OC(=O)c1cncc(C)c1 781580038 698095741 /nfs/dbraw/zinc/09/57/41/698095741.db2.gz AXFOQBSNXDCSEJ-VIFPVBQESA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cncc(C)c1 781580037 698095845 /nfs/dbraw/zinc/09/58/45/698095845.db2.gz AXFOQBSNXDCSEJ-SECBINFHSA-N 0 0 191.230 2.121 10 30 AEEERN C[C@H](C#N)COC(=O)C1=CCCCC1 783113104 698095953 /nfs/dbraw/zinc/09/59/53/698095953.db2.gz UVTGLWXKBZXEJV-SECBINFHSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCCC(=O)N1CC(C2CC2)C1 812648238 698103781 /nfs/dbraw/zinc/10/37/81/698103781.db2.gz YXRPPZIAJXCIJF-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C[C@@H](C#N)COC(=O)C1=CCCCC1 783113123 698096077 /nfs/dbraw/zinc/09/60/77/698096077.db2.gz UVTGLWXKBZXEJV-VIFPVBQESA-N 0 0 193.246 2.190 10 30 AEEERN C#CCC1(OC(=O)[C@@H]2C[C@@H]2C)CCC1 788080805 698096533 /nfs/dbraw/zinc/09/65/33/698096533.db2.gz VDPAISFMAAWVEQ-VHSXEESVSA-N 0 0 192.258 2.132 10 30 AEEERN C#Cc1ccc(CN(CC)CC#N)cc1 787772448 698096607 /nfs/dbraw/zinc/09/66/07/698096607.db2.gz HLYLLYVOYGKKDO-UHFFFAOYSA-N 0 0 198.269 2.013 10 30 AEEERN C#CCC1(OC(=O)[C@H]2C[C@H]2C)CCC1 788080807 698096616 /nfs/dbraw/zinc/09/66/16/698096616.db2.gz VDPAISFMAAWVEQ-ZJUUUORDSA-N 0 0 192.258 2.132 10 30 AEEERN C#CCC1(OC(=O)[C@@H]2C[C@H]2C)CCC1 788080803 698096630 /nfs/dbraw/zinc/09/66/30/698096630.db2.gz VDPAISFMAAWVEQ-NXEZZACHSA-N 0 0 192.258 2.132 10 30 AEEERN C=CCCCC(=O)N[C@@H]1[C@H]2CCC[C@H]21 787718508 698096774 /nfs/dbraw/zinc/09/67/74/698096774.db2.gz JAMCXOLQTJJKBW-IAZYJMLFSA-N 0 0 193.290 2.257 10 30 AEEERN C#CCC1(OC(=O)[C@H]2C[C@@H]2C)CCC1 788080804 698096797 /nfs/dbraw/zinc/09/67/97/698096797.db2.gz VDPAISFMAAWVEQ-UWVGGRQHSA-N 0 0 192.258 2.132 10 30 AEEERN C=CCCCC(=O)N[C@H]1[C@H]2CCC[C@H]21 787718510 698096801 /nfs/dbraw/zinc/09/68/01/698096801.db2.gz JAMCXOLQTJJKBW-PEGIJTEDSA-N 0 0 193.290 2.257 10 30 AEEERN CCCCNN=Cc1cnccc1C 794493810 698097300 /nfs/dbraw/zinc/09/73/00/698097300.db2.gz MRJPRSJTWZKGGA-UHFFFAOYSA-N 0 0 191.278 2.114 10 30 AEEERN Fc1ccc(N=NCC2(F)CC2)nc1 794509854 698097349 /nfs/dbraw/zinc/09/73/49/698097349.db2.gz GWEXYIJAQGYVBS-UHFFFAOYSA-N 0 0 197.188 2.121 10 30 AEEERN Cc1ccc(N=NCC2(F)CC2)nc1 794507101 698097700 /nfs/dbraw/zinc/09/77/00/698097700.db2.gz XLLHVRSXPWQHOW-UHFFFAOYSA-N 0 0 193.225 2.290 10 30 AEEERN Cc1ccnc(N=NCC2(F)CC2)c1 794516035 698097967 /nfs/dbraw/zinc/09/79/67/698097967.db2.gz HHHOVFCIAWEBOU-UHFFFAOYSA-N 0 0 193.225 2.290 10 30 AEEERN C[C@@H](CC#N)OC(=O)C1CC(C)(C)C1 797014270 698098090 /nfs/dbraw/zinc/09/80/90/698098090.db2.gz AEYLUXPDKWZYEI-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN CC#CCOC(=O)CC1CC(C)(C)C1 796273022 698098160 /nfs/dbraw/zinc/09/81/60/698098160.db2.gz KVCHNJKEHUXEOB-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@H](CC#N)OC(=O)C1CC(C)(C)C1 797014269 698098172 /nfs/dbraw/zinc/09/81/72/698098172.db2.gz AEYLUXPDKWZYEI-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](C#N)OC(=O)CC1CC(C)(C)C1 796265950 698098263 /nfs/dbraw/zinc/09/82/63/698098263.db2.gz GXQFXKDGOZJDHD-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCCOC(=O)CC1CC(C)(C)C1 796273577 698098211 /nfs/dbraw/zinc/09/82/11/698098211.db2.gz OJURCPWCVKZPJF-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@@H](C#N)OC(=O)CC1CC(C)(C)C1 796265951 698098217 /nfs/dbraw/zinc/09/82/17/698098217.db2.gz GXQFXKDGOZJDHD-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H]1C[C@H]1C(=O)OCC#CC(C)(C)C 798889982 698098375 /nfs/dbraw/zinc/09/83/75/698098375.db2.gz WEVMRGUJOPFLFQ-VHSXEESVSA-N 0 0 194.274 2.235 10 30 AEEERN CC(C)(CCC#N)COC(=O)C1CC1 798877998 698098410 /nfs/dbraw/zinc/09/84/10/698098410.db2.gz UYWDHPGJFNQLCB-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)(C)C#CCOC(=O)C1(C)CC1 798890549 698098446 /nfs/dbraw/zinc/09/84/46/698098446.db2.gz CPQNGZJBZXQAJK-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CC(C)(C)C#CCOC(=O)CC1CC1 798888828 698098451 /nfs/dbraw/zinc/09/84/51/698098451.db2.gz UTYJSTZYGREZLE-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)OCC#CC(C)(C)C 798889981 698098485 /nfs/dbraw/zinc/09/84/85/698098485.db2.gz WEVMRGUJOPFLFQ-UWVGGRQHSA-N 0 0 194.274 2.235 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)OCC#CC(C)(C)C 798888918 698098496 /nfs/dbraw/zinc/09/84/96/698098496.db2.gz WEVMRGUJOPFLFQ-NXEZZACHSA-N 0 0 194.274 2.235 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)OCC#CC(C)(C)C 798889983 698098514 /nfs/dbraw/zinc/09/85/14/698098514.db2.gz WEVMRGUJOPFLFQ-ZJUUUORDSA-N 0 0 194.274 2.235 10 30 AEEERN CC(C)(C)C#CCOC(=O)C1CCC1 798890199 698098604 /nfs/dbraw/zinc/09/86/04/698098604.db2.gz QKWKTOGYJFEZRE-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN CON=C1CCC[C@H]([C@@H]2CCOC2)C1 799109069 698098724 /nfs/dbraw/zinc/09/87/24/698098724.db2.gz ULVKQRHAQWITEY-VHSXEESVSA-N 0 0 197.278 2.216 10 30 AEEERN CON=C1CCC[C@@H]([C@H]2CCOC2)C1 799109070 698098814 /nfs/dbraw/zinc/09/88/14/698098814.db2.gz ULVKQRHAQWITEY-ZJUUUORDSA-N 0 0 197.278 2.216 10 30 AEEERN CON=C1CCC[C@H]([C@H]2CCOC2)C1 799109068 698098986 /nfs/dbraw/zinc/09/89/86/698098986.db2.gz ULVKQRHAQWITEY-UWVGGRQHSA-N 0 0 197.278 2.216 10 30 AEEERN CCON=C1CCCc2cccnc21 799106377 698099172 /nfs/dbraw/zinc/09/91/72/698099172.db2.gz DYIUICGQSFSASV-UHFFFAOYSA-N 0 0 190.246 2.159 10 30 AEEERN CON=C1CCC[C@@H]([C@@H]2CCOC2)C1 799109067 698099177 /nfs/dbraw/zinc/09/91/77/698099177.db2.gz ULVKQRHAQWITEY-NXEZZACHSA-N 0 0 197.278 2.216 10 30 AEEERN CC#CC(=O)N1CCC[C@](C)(CC)C1 801162769 698100508 /nfs/dbraw/zinc/10/05/08/698100508.db2.gz HEQPEKFMDOEDJH-LBPRGKRZSA-N 0 0 193.290 2.048 10 30 AEEERN CC#CC(=O)N1Cc2ccccc2[C@@H]1C 801164306 698100536 /nfs/dbraw/zinc/10/05/36/698100536.db2.gz ILFCPUVCKKEAHR-JTQLQIEISA-N 0 0 199.253 2.113 10 30 AEEERN CC#CC(=O)N1Cc2ccccc2[C@H]1C 801164307 698100624 /nfs/dbraw/zinc/10/06/24/698100624.db2.gz ILFCPUVCKKEAHR-SNVBAGLBSA-N 0 0 199.253 2.113 10 30 AEEERN C#C[C@@H](CC)OC(=O)C1CC(C)(C)C1 802765856 698101152 /nfs/dbraw/zinc/10/11/52/698101152.db2.gz QIQIORGQGVDGCS-JTQLQIEISA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)C1CC(C)(C)C1 802765857 698101248 /nfs/dbraw/zinc/10/12/48/698101248.db2.gz QIQIORGQGVDGCS-SNVBAGLBSA-N 0 0 194.274 2.378 10 30 AEEERN Cc1ccoc1C(=O)OC(C)(C)C#N 805183531 698101721 /nfs/dbraw/zinc/10/17/21/698101721.db2.gz HWXFXPXCIRJOMG-UHFFFAOYSA-N 0 0 193.202 2.047 10 30 AEEERN C=C(C)CNN=C1CCO[C@H](CC)C1 811651737 698102443 /nfs/dbraw/zinc/10/24/43/698102443.db2.gz LRWYARJPMNFFQQ-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=C(C)[C@]1(C)CCCO1 811651643 698102457 /nfs/dbraw/zinc/10/24/57/698102457.db2.gz ILCOUWFLBSOPBV-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=C1CCO[C@@H](CC)C1 811651738 698102487 /nfs/dbraw/zinc/10/24/87/698102487.db2.gz LRWYARJPMNFFQQ-NSHDSACASA-N 0 0 196.294 2.097 10 30 AEEERN C=C(C)CNN=C(C)[C@@]1(C)CCCO1 811651642 698102508 /nfs/dbraw/zinc/10/25/08/698102508.db2.gz ILCOUWFLBSOPBV-LLVKDONJSA-N 0 0 196.294 2.097 10 30 AEEERN CCON=Cc1cc(F)ccc1OC 812224199 698102793 /nfs/dbraw/zinc/10/27/93/698102793.db2.gz FKESMNMDPWYCKA-UHFFFAOYSA-N 0 0 197.209 2.205 10 30 AEEERN C#CCON=Cc1coc2ccccc12 812232310 698102815 /nfs/dbraw/zinc/10/28/15/698102815.db2.gz CTZDKOZMAKSNAK-UHFFFAOYSA-N 0 0 199.209 2.417 10 30 AEEERN C#CCON=Cc1cc(C)cc(C)c1 812233778 698103032 /nfs/dbraw/zinc/10/30/32/698103032.db2.gz DJUJJSIEEJCGER-UHFFFAOYSA-N 0 0 187.242 2.287 10 30 AEEERN C#CCON=Cc1cc(C)ccc1C 812233712 698103056 /nfs/dbraw/zinc/10/30/56/698103056.db2.gz BVUUCTRUQXNQOY-UHFFFAOYSA-N 0 0 187.242 2.287 10 30 AEEERN C#CCON=Cc1ccc(F)c(C)c1 812233738 698103086 /nfs/dbraw/zinc/10/30/86/698103086.db2.gz CKFZNUOMDMXRGT-UHFFFAOYSA-N 0 0 191.205 2.118 10 30 AEEERN CC(=NOC1CCC1)c1coc(C)n1 812236071 698103350 /nfs/dbraw/zinc/10/33/50/698103350.db2.gz GQVXNALWQORGHW-UHFFFAOYSA-N 0 0 194.234 2.276 10 30 AEEERN C#CCON=Cc1c(C)cccc1C 812236115 698103362 /nfs/dbraw/zinc/10/33/62/698103362.db2.gz HMZNGGRUIVTWTJ-UHFFFAOYSA-N 0 0 187.242 2.287 10 30 AEEERN CC#CCCOC(=O)[C@@H]1C[C@H]1CCC 812635383 698103633 /nfs/dbraw/zinc/10/36/33/698103633.db2.gz AHHORILYRCTKAP-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN CCC[C@@H]1C[C@H]1C(=O)OCCCC#N 812631773 698103846 /nfs/dbraw/zinc/10/38/46/698103846.db2.gz DCCGIALUAAJSNJ-NXEZZACHSA-N 0 0 195.262 2.270 10 30 AEEERN C#CCCCOC(=O)[C@@H]1C[C@H]1CCC 812635389 698103880 /nfs/dbraw/zinc/10/38/80/698103880.db2.gz AIZPEWGUMBGDDZ-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN C=CCCNC(=O)C1(C)CC=CC1 824910819 698108992 /nfs/dbraw/zinc/10/89/92/698108992.db2.gz WAVJWZVLKWEPET-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCNC(=O)C[C@H]1CC=CCC1 824909565 698108957 /nfs/dbraw/zinc/10/89/57/698108957.db2.gz FRZVSDRZCVKTOY-NSHDSACASA-N 0 0 193.290 2.425 10 30 AEEERN CC#CCCOC(=O)[C@@H](C)C1CCC1 838385864 698118472 /nfs/dbraw/zinc/11/84/72/698118472.db2.gz BXJPDBOZXBYDRS-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C=CCCNC(=O)[C@]1(C)C=CCC1 824909620 698108934 /nfs/dbraw/zinc/10/89/34/698108934.db2.gz HWZHDEMIEJQNNI-LLVKDONJSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCNC(=O)C[C@@H]1CC=CCC1 824909564 698109097 /nfs/dbraw/zinc/10/90/97/698109097.db2.gz FRZVSDRZCVKTOY-LLVKDONJSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCNC(=O)[C@@]1(C)C=CCC1 824909621 698109122 /nfs/dbraw/zinc/10/91/22/698109122.db2.gz HWZHDEMIEJQNNI-NSHDSACASA-N 0 0 179.263 2.035 10 30 AEEERN CC1=C(C)C[C@H](C(=O)OCC#N)CC1 829793447 698112489 /nfs/dbraw/zinc/11/24/89/698112489.db2.gz FJOOKFDVRKNOSI-SNVBAGLBSA-N 0 0 193.246 2.190 10 30 AEEERN CC1=C(C)C[C@@H](C(=O)OCC#N)CC1 829793446 698112591 /nfs/dbraw/zinc/11/25/91/698112591.db2.gz FJOOKFDVRKNOSI-JTQLQIEISA-N 0 0 193.246 2.190 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCC[C@H]1CC 835267488 698114854 /nfs/dbraw/zinc/11/48/54/698114854.db2.gz BAKLYMSLIRUOTK-GHMZBOCLSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@H]1CCC[C@@H]1CC 835267491 698114867 /nfs/dbraw/zinc/11/48/67/698114867.db2.gz BAKLYMSLIRUOTK-QWRGUYRKSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@@]1(C)CCC[C@H]1C 835267872 698114952 /nfs/dbraw/zinc/11/49/52/698114952.db2.gz DYPXHLKWYDNBHQ-PWSUYJOCSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@H]1CCC[C@H]1CC 835267489 698114975 /nfs/dbraw/zinc/11/49/75/698114975.db2.gz BAKLYMSLIRUOTK-MNOVXSKESA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@]1(C)CCC[C@H]1C 835267873 698114979 /nfs/dbraw/zinc/11/49/79/698114979.db2.gz DYPXHLKWYDNBHQ-ZYHUDNBSSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@]1(C)CCC[C@@H]1C 835267870 698114987 /nfs/dbraw/zinc/11/49/87/698114987.db2.gz DYPXHLKWYDNBHQ-CMPLNLGQSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@@]1(C)CCC[C@@H]1C 835267871 698115030 /nfs/dbraw/zinc/11/50/30/698115030.db2.gz DYPXHLKWYDNBHQ-JQWIXIFHSA-N 0 0 194.274 2.379 10 30 AEEERN CC#CCOC(=O)[C@@H]1CCC[C@@H]1CC 835267493 698115033 /nfs/dbraw/zinc/11/50/33/698115033.db2.gz BAKLYMSLIRUOTK-WDEREUQCSA-N 0 0 194.274 2.379 10 30 AEEERN C=CCONC(=O)CC1CC(C)(C)C1 837049109 698115341 /nfs/dbraw/zinc/11/53/41/698115341.db2.gz AFRKUXATKPINES-UHFFFAOYSA-N 0 0 197.278 2.047 10 30 AEEERN CC[C@@H](C)N(C)C(=O)C#CC(C)(C)C 837381084 698115714 /nfs/dbraw/zinc/11/57/14/698115714.db2.gz DTCKXBWBFDETML-SNVBAGLBSA-N 0 0 195.306 2.293 10 30 AEEERN CC[C@H](C)N(C)C(=O)C#CC(C)(C)C 837381082 698115804 /nfs/dbraw/zinc/11/58/04/698115804.db2.gz DTCKXBWBFDETML-JTQLQIEISA-N 0 0 195.306 2.293 10 30 AEEERN C[C@@H]1C[C@@H](C)N1C(=O)C#CC(C)(C)C 837587965 698117220 /nfs/dbraw/zinc/11/72/20/698117220.db2.gz NEUACWPMKAWJBS-NXEZZACHSA-N 0 0 193.290 2.045 10 30 AEEERN C[C@H]1C[C@@H](C)N1C(=O)C#CC(C)(C)C 837587664 698117293 /nfs/dbraw/zinc/11/72/93/698117293.db2.gz NEUACWPMKAWJBS-AOOOYVTPSA-N 0 0 193.290 2.045 10 30 AEEERN C[C@H]1C[C@H](C)N1C(=O)C#CC(C)(C)C 837587966 698117317 /nfs/dbraw/zinc/11/73/17/698117317.db2.gz NEUACWPMKAWJBS-UWVGGRQHSA-N 0 0 193.290 2.045 10 30 AEEERN Cc1csc(C(=O)O[C@H](C)C#N)c1 837760485 698117634 /nfs/dbraw/zinc/11/76/34/698117634.db2.gz CNCMTTMZKNSJIC-SSDOTTSWSA-N 0 0 195.243 2.125 10 30 AEEERN Cc1csc(C(=O)O[C@@H](C)C#N)c1 837760486 698117579 /nfs/dbraw/zinc/11/75/79/698117579.db2.gz CNCMTTMZKNSJIC-ZETCQYMHSA-N 0 0 195.243 2.125 10 30 AEEERN C=CCOC(=O)[C@H](C)C1CCC1 838385683 698118489 /nfs/dbraw/zinc/11/84/89/698118489.db2.gz BICVIZJFAYCHEN-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCOC(=O)[C@@H](C)C1CCC1 838385684 698118496 /nfs/dbraw/zinc/11/84/96/698118496.db2.gz BICVIZJFAYCHEN-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@@H](C)C1CCC1 838385637 698118504 /nfs/dbraw/zinc/11/85/04/698118504.db2.gz ALCZPCRVTBMYIQ-WCBMZHEXSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](C#N)OC(=O)[C@H](C)C1CCC1 838385635 698118521 /nfs/dbraw/zinc/11/85/21/698118521.db2.gz ALCZPCRVTBMYIQ-SCZZXKLOSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@H](C)C1CCC1 838385634 698118528 /nfs/dbraw/zinc/11/85/28/698118528.db2.gz ALCZPCRVTBMYIQ-PSASIEDQSA-N 0 0 195.262 2.268 10 30 AEEERN CC[C@@H](C#N)OC(=O)[C@@H](C)C1CCC1 838385639 698118543 /nfs/dbraw/zinc/11/85/43/698118543.db2.gz ALCZPCRVTBMYIQ-WPRPVWTQSA-N 0 0 195.262 2.268 10 30 AEEERN CC#CCCOC(=O)[C@H](C)C1CCC1 838385866 698118595 /nfs/dbraw/zinc/11/85/95/698118595.db2.gz BXJPDBOZXBYDRS-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN CCCON=CCSCC 842550251 698120096 /nfs/dbraw/zinc/12/00/96/698120096.db2.gz BFTPXFGHSUERPA-UHFFFAOYSA-N 0 0 161.270 2.152 10 30 AEEERN CCCON=C1CCCSC1 842550252 698120226 /nfs/dbraw/zinc/12/02/26/698120226.db2.gz BKHZBUWHZMIQAA-UHFFFAOYSA-N 0 0 173.281 2.296 10 30 AEEERN C(=NOC1CCCC1)c1ccns1 844589595 698121164 /nfs/dbraw/zinc/12/11/64/698121164.db2.gz LYMFGUCASUAFAT-UHFFFAOYSA-N 0 0 196.275 2.436 10 30 AEEERN C=C(C)CON=C1CC[C@@H]1SC 844619496 698121179 /nfs/dbraw/zinc/12/11/79/698121179.db2.gz ADFMZWKXBABPAH-VIFPVBQESA-N 0 0 185.292 2.461 10 30 AEEERN C=C(C)CON=C1CC[C@H]1SC 844619495 698121211 /nfs/dbraw/zinc/12/12/11/698121211.db2.gz ADFMZWKXBABPAH-SECBINFHSA-N 0 0 185.292 2.461 10 30 AEEERN C=C[C@H](C)ON=CCC[C@H]1CCO1 844620452 698121481 /nfs/dbraw/zinc/12/14/81/698121481.db2.gz LEARXJPUNCUDPD-UWVGGRQHSA-N 0 0 183.251 2.132 10 30 AEEERN C=C(C)CON=CC1CC(OCC)C1 844619960 698121501 /nfs/dbraw/zinc/12/15/01/698121501.db2.gz OKXXKIIVDKRFMO-UHFFFAOYSA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@@H](C)ON=CCC[C@@H]1CCO1 844620451 698121649 /nfs/dbraw/zinc/12/16/49/698121649.db2.gz LEARXJPUNCUDPD-NXEZZACHSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@H](C)ON=CCC[C@@H]1CCO1 844620453 698121666 /nfs/dbraw/zinc/12/16/66/698121666.db2.gz LEARXJPUNCUDPD-VHSXEESVSA-N 0 0 183.251 2.132 10 30 AEEERN C=C[C@@H](C)ON=CCC[C@H]1CCO1 844620454 698121689 /nfs/dbraw/zinc/12/16/89/698121689.db2.gz LEARXJPUNCUDPD-ZJUUUORDSA-N 0 0 183.251 2.132 10 30 AEEERN C=C(C)CON=CCSCC 844619907 698121709 /nfs/dbraw/zinc/12/17/09/698121709.db2.gz MTEDQHRFIOJUJP-UHFFFAOYSA-N 0 0 173.281 2.318 10 30 AEEERN C=C[C@@H](C)ON=CCC[C@@H]1CCOC1 844626224 698121927 /nfs/dbraw/zinc/12/19/27/698121927.db2.gz RYDCVFNXTROQCN-GHMZBOCLSA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@@H](C)ON=CCC[C@H]1CCOC1 844626227 698121946 /nfs/dbraw/zinc/12/19/46/698121946.db2.gz RYDCVFNXTROQCN-MNOVXSKESA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@H](C)ON=CCC[C@H]1CCOC1 844626228 698121953 /nfs/dbraw/zinc/12/19/53/698121953.db2.gz RYDCVFNXTROQCN-QWRGUYRKSA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@H](C)ON=CCC[C@@H]1CCOC1 844626229 698121959 /nfs/dbraw/zinc/12/19/59/698121959.db2.gz RYDCVFNXTROQCN-WDEREUQCSA-N 0 0 197.278 2.380 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@@H](C)CC#N 850926766 698126411 /nfs/dbraw/zinc/12/64/11/698126411.db2.gz RWICOZYRQRKVCD-DTWKUNHWSA-N 0 0 181.235 2.044 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@H](C)CC#N 850926765 698126449 /nfs/dbraw/zinc/12/64/49/698126449.db2.gz RWICOZYRQRKVCD-BDAKNGLRSA-N 0 0 181.235 2.044 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H](C)CC#N 850926768 698126477 /nfs/dbraw/zinc/12/64/77/698126477.db2.gz RWICOZYRQRKVCD-RKDXNWHRSA-N 0 0 181.235 2.044 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H](C)CC#N 850926767 698126510 /nfs/dbraw/zinc/12/65/10/698126510.db2.gz RWICOZYRQRKVCD-IUCAKERBSA-N 0 0 181.235 2.044 10 30 AEEERN CCCCNN=C1COC2(CCC2)C1 853291142 698127954 /nfs/dbraw/zinc/12/79/54/698127954.db2.gz YXSJVUWIKKFWJX-UHFFFAOYSA-N 0 0 196.294 2.075 10 30 AEEERN CCCNN=C1CCCSCC1 853290467 698128050 /nfs/dbraw/zinc/12/80/50/698128050.db2.gz ZESYPNRSBVAXET-UHFFFAOYSA-N 0 0 186.324 2.259 10 30 AEEERN CC(C)C#CC(=O)N1CCCCCC1 854119480 698128718 /nfs/dbraw/zinc/12/87/18/698128718.db2.gz HHMOMOZEYUZQHX-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C#CCCOC(=O)NC(C)(CC)CC 858982563 698133384 /nfs/dbraw/zinc/13/33/84/698133384.db2.gz DVSOBCAYEWTVDG-UHFFFAOYSA-N 0 0 197.278 2.315 10 30 AEEERN C#CCCOC(=O)N(C)CCCC=C 858996099 698133419 /nfs/dbraw/zinc/13/34/19/698133419.db2.gz AMJDLITXHPSPBW-UHFFFAOYSA-N 0 0 195.262 2.044 10 30 AEEERN C#CCCOC(=O)NC1(CC)CCC1 859048937 698134088 /nfs/dbraw/zinc/13/40/88/698134088.db2.gz VDDOCSFZJNRUQN-UHFFFAOYSA-N 0 0 195.262 2.069 10 30 AEEERN C#CCCOC(=O)N[C@H](C)C(C)(C)C 859208049 698135269 /nfs/dbraw/zinc/13/52/69/698135269.db2.gz AAEDHLRQOMMBGT-SECBINFHSA-N 0 0 197.278 2.171 10 30 AEEERN CC(=NNC1CC1)C1CC(F)(F)C1 863106835 698136708 /nfs/dbraw/zinc/13/67/08/698136708.db2.gz SAXGUWAGCLNOKD-UHFFFAOYSA-N 0 0 188.221 2.160 10 30 AEEERN COCCON=CCCCC(C)C 863099942 698136300 /nfs/dbraw/zinc/13/63/00/698136300.db2.gz LWNFKCWYGLBUML-UHFFFAOYSA-N 0 0 187.283 2.462 10 30 AEEERN C#CCCCC(C)=NOCC(F)F 863108363 698136619 /nfs/dbraw/zinc/13/66/19/698136619.db2.gz PTCOIJZOTMILAY-UHFFFAOYSA-N 0 0 189.205 2.448 10 30 AEEERN CC[C@H](C)NN=C(C)[C@@H]1CCCCO1 863107623 698136622 /nfs/dbraw/zinc/13/66/22/698136622.db2.gz WURVMPFLQXNLMY-ONGXEEELSA-N 0 0 198.310 2.320 10 30 AEEERN C#CCCCC(C)=NOCCOCC 863107742 698136625 /nfs/dbraw/zinc/13/66/25/698136625.db2.gz BFPXYLJGRTUZHG-UHFFFAOYSA-N 0 0 197.278 2.219 10 30 AEEERN CSCCON=C[C@H]1CC12CC2 863109511 698136654 /nfs/dbraw/zinc/13/66/54/698136654.db2.gz RICAFUMBTMPXOM-MRVPVSSYSA-N 0 0 185.292 2.152 10 30 AEEERN CC[C@@H](C)NN=C(C)c1ccns1 863107580 698136675 /nfs/dbraw/zinc/13/66/75/698136675.db2.gz VPXMWIFEGWQBPP-SSDOTTSWSA-N 0 0 197.307 2.255 10 30 AEEERN CC[C@H](C)NN=C(C)c1ccns1 863107581 698136682 /nfs/dbraw/zinc/13/66/82/698136682.db2.gz VPXMWIFEGWQBPP-ZETCQYMHSA-N 0 0 197.307 2.255 10 30 AEEERN CC[C@H](C)NN=Cc1ccnc(C)c1 863107438 698136703 /nfs/dbraw/zinc/13/67/03/698136703.db2.gz PUYVOYKPHHKKEE-VIFPVBQESA-N 0 0 191.278 2.112 10 30 AEEERN CC[C@H](C)NN=C(C)[C@H]1CCCCO1 863107620 698136706 /nfs/dbraw/zinc/13/67/06/698136706.db2.gz WURVMPFLQXNLMY-GXSJLCMTSA-N 0 0 198.310 2.320 10 30 AEEERN FC(F)CON=C[C@H]1CC12CC2 863107936 698136718 /nfs/dbraw/zinc/13/67/18/698136718.db2.gz FZVWQNMPJCZICZ-ZCFIWIBFSA-N 0 0 175.178 2.054 10 30 AEEERN FC(F)CON=C[C@@H]1CC12CC2 863107935 698136726 /nfs/dbraw/zinc/13/67/26/698136726.db2.gz FZVWQNMPJCZICZ-LURJTMIESA-N 0 0 175.178 2.054 10 30 AEEERN CSCCON=C[C@@H]1CC12CC2 863109512 698136740 /nfs/dbraw/zinc/13/67/40/698136740.db2.gz RICAFUMBTMPXOM-QMMMGPOBSA-N 0 0 185.292 2.152 10 30 AEEERN CC[C@@H](C)NN=C(C)[C@H]1CCCCO1 863107622 698136746 /nfs/dbraw/zinc/13/67/46/698136746.db2.gz WURVMPFLQXNLMY-MWLCHTKSSA-N 0 0 198.310 2.320 10 30 AEEERN CC[C@@H](C)NN=C(C)[C@@H]1CCCCO1 863107621 698136764 /nfs/dbraw/zinc/13/67/64/698136764.db2.gz WURVMPFLQXNLMY-KOLCDFICSA-N 0 0 198.310 2.320 10 30 AEEERN C#CCCCC(C)=NOCCCOC 863113902 698137153 /nfs/dbraw/zinc/13/71/53/698137153.db2.gz VBBZOPRRHATECB-UHFFFAOYSA-N 0 0 197.278 2.219 10 30 AEEERN C#CCCCCNC(=O)/C(F)=C/CC 866548220 698138647 /nfs/dbraw/zinc/13/86/47/698138647.db2.gz NHFNXPLRNXMAIN-NTMALXAHSA-N 0 0 197.253 2.170 10 30 AEEERN C#CCCCCNC(=O)/C(F)=C\CC 866548219 698138905 /nfs/dbraw/zinc/13/89/05/698138905.db2.gz NHFNXPLRNXMAIN-CSKARUKUSA-N 0 0 197.253 2.170 10 30 AEEERN C=CCCCNC(=O)C1(C2CC2)CC1 890309424 698151254 /nfs/dbraw/zinc/15/12/54/698151254.db2.gz PAKIOUJOJFMUCV-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCCCN(CC)C(=O)C(F)F 890815617 698151658 /nfs/dbraw/zinc/15/16/58/698151658.db2.gz LNTKNZZQWRGKAT-UHFFFAOYSA-N 0 0 191.221 2.066 10 30 AEEERN C=CCCCN(CC)C(=O)[C@@H]1C[C@@H]1C 890815644 698151746 /nfs/dbraw/zinc/15/17/46/698151746.db2.gz MGESNNHAXNTSQR-WDEREUQCSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCN(CC)C(=O)C(C)C 890815164 698151786 /nfs/dbraw/zinc/15/17/86/698151786.db2.gz YEFQXRVSYGGORC-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCN(CC)C(=O)CC 890815497 698151869 /nfs/dbraw/zinc/15/18/69/698151869.db2.gz IJZRECBJYGRGTE-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN C=CCCCN(CC)C(=O)C1CC1 890816360 698151902 /nfs/dbraw/zinc/15/19/02/698151902.db2.gz WIOZOCGNBQDWRH-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCN(CC)C(=O)[C@H]1C[C@H]1C 890815643 698151906 /nfs/dbraw/zinc/15/19/06/698151906.db2.gz MGESNNHAXNTSQR-MNOVXSKESA-N 0 0 195.306 2.457 10 30 AEEERN C=C1CC(C)(C(=O)NC/C=C\Cl)C1 891198280 698152370 /nfs/dbraw/zinc/15/23/70/698152370.db2.gz UGLLUSSSXPEAFA-ARJAWSKDSA-N 0 0 199.681 2.211 10 30 AEEERN C=C1CC(C)(C(=O)NC/C=C/Cl)C1 891198281 698152387 /nfs/dbraw/zinc/15/23/87/698152387.db2.gz UGLLUSSSXPEAFA-ONEGZZNKSA-N 0 0 199.681 2.211 10 30 AEEERN C=CC(C)(C)NC(=O)NCC1CCC1 892045104 698153454 /nfs/dbraw/zinc/15/34/54/698153454.db2.gz ALAIXKHEEVJBEJ-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC1(OC(=O)C23CC(C2)C3)CC1 893359730 698155091 /nfs/dbraw/zinc/15/50/91/698155091.db2.gz YGKVNSDGNRLCGT-UHFFFAOYSA-N 0 0 178.231 2.048 10 30 AEEERN CCC#CCOC(=O)c1ccsc1 893832745 698156834 /nfs/dbraw/zinc/15/68/34/698156834.db2.gz DUWSDBGPSDGHSX-UHFFFAOYSA-N 0 0 194.255 2.318 10 30 AEEERN CCC#CCOC(=O)[C@@H]1C[C@H]1C(C)C 893840640 698157270 /nfs/dbraw/zinc/15/72/70/698157270.db2.gz FVXNQDFTMFYMQM-WDEREUQCSA-N 0 0 194.274 2.235 10 30 AEEERN CCC#CCOC(=O)C1(CCF)CC1 893840657 698157277 /nfs/dbraw/zinc/15/72/77/698157277.db2.gz SMFNTXFBIDDAPH-UHFFFAOYSA-N 0 0 198.237 2.083 10 30 AEEERN CCC#CCOC(=O)C(F)=C1CCC1 893842949 698157335 /nfs/dbraw/zinc/15/73/35/698157335.db2.gz BRLXJJQHKGLEBG-UHFFFAOYSA-N 0 0 196.221 2.351 10 30 AEEERN CCC#CCOC(=O)c1coc(C)c1 893840647 698157349 /nfs/dbraw/zinc/15/73/49/698157349.db2.gz GGYVSNCQRFGNMG-UHFFFAOYSA-N 0 0 192.214 2.158 10 30 AEEERN C=CCNC(=O)C1CCC(=C)CC1 895471874 698160191 /nfs/dbraw/zinc/16/01/91/698160191.db2.gz AGUGEIPNVLTITK-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C=C1CC(c2noc(CSC)n2)C1 896889241 698161955 /nfs/dbraw/zinc/16/19/55/698161955.db2.gz DZTXCRZEKUHWKX-UHFFFAOYSA-N 0 0 196.275 2.366 10 30 AEEERN C=C1CC(c2noc(COCC)n2)C1 896890064 698162087 /nfs/dbraw/zinc/16/20/87/698162087.db2.gz GNCHUXCCXCWOLK-UHFFFAOYSA-N 0 0 194.234 2.040 10 30 AEEERN C#CCN(CC#N)CCCCC(C)C 897163995 698162485 /nfs/dbraw/zinc/16/24/85/698162485.db2.gz FNPHEMNZZQFCSY-UHFFFAOYSA-N 0 0 192.306 2.271 10 30 AEEERN C#CCN(CC#N)CC1(C)CCCC1 897164027 698162488 /nfs/dbraw/zinc/16/24/88/698162488.db2.gz GLRUWVKEBFCKBO-UHFFFAOYSA-N 0 0 190.290 2.025 10 30 AEEERN C=CCCCN(CC)c1cccnn1 897399550 698163515 /nfs/dbraw/zinc/16/35/15/698163515.db2.gz QGNIAOUIEHMDEF-UHFFFAOYSA-N 0 0 191.278 2.269 10 30 AEEERN C=CCCCN(CC)c1ncccn1 897399037 698163523 /nfs/dbraw/zinc/16/35/23/698163523.db2.gz AXCRPXDPMHMYIS-UHFFFAOYSA-N 0 0 191.278 2.269 10 30 AEEERN C=CCCCN(CC)c1cnccn1 897399498 698163557 /nfs/dbraw/zinc/16/35/57/698163557.db2.gz ORNDZJRJPDKNFO-UHFFFAOYSA-N 0 0 191.278 2.269 10 30 AEEERN C=CCCCN(CC)c1nnc(C)o1 897399412 698163651 /nfs/dbraw/zinc/16/36/51/698163651.db2.gz KXXUHXSQTKUARP-UHFFFAOYSA-N 0 0 195.266 2.171 10 30 AEEERN C=C1CCC(C(=O)N2CC(C)C2)CC1 897578321 698164267 /nfs/dbraw/zinc/16/42/67/698164267.db2.gz PPUJSHBOWRFSRR-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN c1cc(CCON=C2CCC2)sn1 902264250 698166189 /nfs/dbraw/zinc/16/61/89/698166189.db2.gz WITLUHGYNITBAZ-UHFFFAOYSA-N 0 0 196.275 2.242 10 30 AEEERN C=C(C)CCn1nc(Cl)nc1C 918568123 698170143 /nfs/dbraw/zinc/17/01/43/698170143.db2.gz KHLUNWLUXIWBEQ-UHFFFAOYSA-N 0 0 185.658 2.206 10 30 AEEERN C=CCCOC(=O)[C@@]1(C)C=CCC1 924413821 698172587 /nfs/dbraw/zinc/17/25/87/698172587.db2.gz QXSNGNLYLILLKL-NSHDSACASA-N 0 0 180.247 2.462 10 30 AEEERN C#CCCCOC(=O)[C@@]1(C)C=CCC1 924413595 698172685 /nfs/dbraw/zinc/17/26/85/698172685.db2.gz PXRCIHCFQVTYJT-LBPRGKRZSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCCOC(=O)[C@]1(C)C=CCC1 924413592 698172699 /nfs/dbraw/zinc/17/26/99/698172699.db2.gz PXRCIHCFQVTYJT-GFCCVEGCSA-N 0 0 192.258 2.299 10 30 AEEERN C=CCCOC(=O)[C@]1(C)C=CCC1 924413819 698172728 /nfs/dbraw/zinc/17/27/28/698172728.db2.gz QXSNGNLYLILLKL-LLVKDONJSA-N 0 0 180.247 2.462 10 30 AEEERN C#CCN(C(=O)/C(F)=C\CC)C(C)C 928622904 698178276 /nfs/dbraw/zinc/17/82/76/698178276.db2.gz DSYCCDVKLANRMB-JXMROGBWSA-N 0 0 197.253 2.120 10 30 AEEERN C#CCN(C(=O)/C(F)=C/CC)C(C)C 928622906 698178306 /nfs/dbraw/zinc/17/83/06/698178306.db2.gz DSYCCDVKLANRMB-YFHOEESVSA-N 0 0 197.253 2.120 10 30 AEEERN C=CC[C@H](C)N1CC[C@@H]1C(F)F 931423468 698181823 /nfs/dbraw/zinc/18/18/23/698181823.db2.gz BHEMMUIPFVWCKR-JGVFFNPUSA-N 0 0 175.222 2.290 10 30 AEEERN C=CC[C@@H](C)N1CC[C@@H]1C(F)F 931423466 698181877 /nfs/dbraw/zinc/18/18/77/698181877.db2.gz BHEMMUIPFVWCKR-HTQZYQBOSA-N 0 0 175.222 2.290 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C1 931425013 698181929 /nfs/dbraw/zinc/18/19/29/698181929.db2.gz DBRUOHUPHPKGEG-MNOVXSKESA-N 0 0 195.306 2.457 10 30 AEEERN C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C1 931425012 698181951 /nfs/dbraw/zinc/18/19/51/698181951.db2.gz DBRUOHUPHPKGEG-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@H](C)N1CC[C@H]1C(F)F 931423471 698181956 /nfs/dbraw/zinc/18/19/56/698181956.db2.gz BHEMMUIPFVWCKR-YUMQZZPRSA-N 0 0 175.222 2.290 10 30 AEEERN C=C[C@H](CC)CC(=O)N1CC[C@H](C)C1 931425015 698182004 /nfs/dbraw/zinc/18/20/04/698182004.db2.gz DBRUOHUPHPKGEG-WDEREUQCSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@@H](C)N1CC[C@H]1C(F)F 931423469 698182033 /nfs/dbraw/zinc/18/20/33/698182033.db2.gz BHEMMUIPFVWCKR-SFYZADRCSA-N 0 0 175.222 2.290 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1CC[C@H](C)C1 931425014 698182070 /nfs/dbraw/zinc/18/20/70/698182070.db2.gz DBRUOHUPHPKGEG-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)CN1CCCc2c1n[nH]c2C 934306748 698185322 /nfs/dbraw/zinc/18/53/22/698185322.db2.gz QOQQCYFSAZHNRD-UHFFFAOYSA-N 0 0 191.278 2.047 10 30 AEEERN C=CCCC(=O)N1CC(C)=C[C@@H](C)C1 335727927 325642397 /nfs/dbraw/zinc/64/23/97/325642397.db2.gz KMLKPDSEDILFMY-SNVBAGLBSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCN1CCCc2c(N)cccc21 38000011 132176890 /nfs/dbraw/zinc/17/68/90/132176890.db2.gz XXFVCGSMSNFTBW-UHFFFAOYSA-N 0 0 188.274 2.207 10 30 AEEERN O=C1C=CN2c3ccccc3CC[C@@H]2C1 22622 132177690 /nfs/dbraw/zinc/17/76/90/132177690.db2.gz LNTWPSKEEYNUKK-LLVKDONJSA-N 0 0 199.253 2.294 10 30 in-vivo AEEERN O=C1C=CN2c3ccccc3CC[C@H]2C1 13813820 132183253 /nfs/dbraw/zinc/18/32/53/132183253.db2.gz LNTWPSKEEYNUKK-NSHDSACASA-N 0 0 199.253 2.294 10 30 in-vivo AEEERN SCCN1CCCc2ccccc21 26509722 132187176 /nfs/dbraw/zinc/18/71/76/132187176.db2.gz GMVOAYYKUAZGOC-UHFFFAOYSA-N 0 0 193.315 2.369 10 30 AEEERN C=C[C@@H]1CN(C)c2ccccc2N1C 39115350 132190821 /nfs/dbraw/zinc/19/08/21/132190821.db2.gz UAYYGTFOFYZVSV-SNVBAGLBSA-N 0 0 188.274 2.127 10 30 AEEERN C[C@@H]1CCc2ccccc2N1CC=O 43803088 132191146 /nfs/dbraw/zinc/19/11/46/132191146.db2.gz DXZBXBDYJLPILU-SNVBAGLBSA-N 0 0 189.258 2.027 10 30 AEEERN C[C@H]1CCc2ccccc2N1CC=O 43803091 132191412 /nfs/dbraw/zinc/19/14/12/132191412.db2.gz DXZBXBDYJLPILU-JTQLQIEISA-N 0 0 189.258 2.027 10 30 AEEERN CN1CCCc2cc(CC#N)ccc21 51952494 132192283 /nfs/dbraw/zinc/19/22/83/132192283.db2.gz ONTIYJKMOOCKNR-UHFFFAOYSA-N 0 0 186.258 2.135 10 30 AEEERN C[C@@H](c1ccccc1F)N(C)CC#N 58000519 133418808 /nfs/dbraw/zinc/41/88/08/133418808.db2.gz BERBTKWUMHNBKK-VIFPVBQESA-N 0 0 192.237 2.342 10 30 AEEERN C[C@H](C#N)N1CCc2sccc2C1 50499363 133419018 /nfs/dbraw/zinc/41/90/18/133419018.db2.gz ABQQWVHZSHEWPS-MRVPVSSYSA-N 0 0 192.287 2.018 10 30 AEEERN C=CCNC(=O)c1csc(C)c1C 96752422 133421194 /nfs/dbraw/zinc/42/11/94/133421194.db2.gz DGCYKBAFUIYUEX-UHFFFAOYSA-N 0 0 195.287 2.281 10 30 AEEERN Cc1cc(C#N)cc(NC2CCC2)n1 144697704 133421837 /nfs/dbraw/zinc/42/18/37/133421837.db2.gz RFPOMMQXVGIEPO-UHFFFAOYSA-N 0 0 187.246 2.226 10 30 AEEERN C=C(C)CCn1nc(C)cc1C 229082710 133423230 /nfs/dbraw/zinc/42/32/30/133423230.db2.gz NZBIQBGCNMKPRO-UHFFFAOYSA-N 0 0 164.252 2.466 10 30 AEEERN Cc1ccc(C=NO)c(C)c1 252370187 133424207 /nfs/dbraw/zinc/42/42/07/133424207.db2.gz ZXOXSHIAPHLSAV-UHFFFAOYSA-N 0 0 149.193 2.112 10 30 AEEERN Cc1ccc(C)c(C=NO)c1 252369921 133424382 /nfs/dbraw/zinc/42/43/82/133424382.db2.gz CYXCYDJPJFMZOD-UHFFFAOYSA-N 0 0 149.193 2.112 10 30 AEEERN N#CCCSc1cccc(O)c1 259978204 133425426 /nfs/dbraw/zinc/42/54/26/133425426.db2.gz GYNWXWDLFKQBDQ-UHFFFAOYSA-N 0 0 179.244 2.398 10 30 AEEERN Cc1cc([C@H](C)NCC#N)ccc1F 306221649 133426609 /nfs/dbraw/zinc/42/66/09/133426609.db2.gz QEKDBDUOQBFRPS-VIFPVBQESA-N 0 0 192.237 2.308 10 30 AEEERN CC(C)[C@@H]1CCCN([C@H](C)C#N)C1 306278400 133426819 /nfs/dbraw/zinc/42/68/19/133426819.db2.gz GPZBXZMKSVVBEB-GHMZBOCLSA-N 0 0 180.295 2.266 10 30 AEEERN CC#CCCn1ncc(Cl)c1C 306283328 133426932 /nfs/dbraw/zinc/42/69/32/133426932.db2.gz IFADFKRCGYELAR-UHFFFAOYSA-N 0 0 182.654 2.258 10 30 AEEERN C=C[C@@H](C)Nc1ncc(C)c(C)n1 306382313 133427411 /nfs/dbraw/zinc/42/74/11/133427411.db2.gz AWTFWYKIKMXLOG-MRVPVSSYSA-N 0 0 177.251 2.080 10 30 AEEERN CC#CCSc1ccncc1 306748568 133430111 /nfs/dbraw/zinc/43/01/11/133430111.db2.gz FJKNCWSQQDXESJ-UHFFFAOYSA-N 0 0 163.245 2.197 10 30 AEEERN N#CCCN1CCCC[C@@H]1C(F)F 307583814 133432207 /nfs/dbraw/zinc/43/22/07/133432207.db2.gz ZYFGFOUZTOVUGC-MRVPVSSYSA-N 0 0 188.221 2.020 10 30 AEEERN C=C(C)C[C@H](C)c1nc(C)no1 307718648 133432781 /nfs/dbraw/zinc/43/27/81/133432781.db2.gz LWVLTUOGIDTRKB-ZETCQYMHSA-N 0 0 166.224 2.448 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CC[C@H](C)C1 308289062 133432963 /nfs/dbraw/zinc/43/29/63/133432963.db2.gz FYYPUUZSZXGUGJ-UWVGGRQHSA-N 0 0 181.279 2.067 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N1CC(C)C1 308312267 133432987 /nfs/dbraw/zinc/43/29/87/133432987.db2.gz SEWKWUKDKYHVRO-NSHDSACASA-N 0 0 181.279 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CC[C@@H](C)C1 308289064 133433177 /nfs/dbraw/zinc/43/31/77/133433177.db2.gz FYYPUUZSZXGUGJ-ZJUUUORDSA-N 0 0 181.279 2.067 10 30 AEEERN C=CC[C@@H](C)NC(=O)N1CC[C@@H](C)C1 334253070 133433475 /nfs/dbraw/zinc/43/34/75/133433475.db2.gz WTPCNIYSXOGNCB-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H]1CC[C@@H](C)C1 334305604 133433511 /nfs/dbraw/zinc/43/35/11/133433511.db2.gz GKJFDNJOKSECLZ-MNOVXSKESA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1CC[C@H](C)C1 334305609 133433526 /nfs/dbraw/zinc/43/35/26/133433526.db2.gz GKJFDNJOKSECLZ-WDEREUQCSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@@H](C)NC(=O)N1CC[C@H](C)C1 334253076 133433567 /nfs/dbraw/zinc/43/35/67/133433567.db2.gz WTPCNIYSXOGNCB-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCN(C)C(=O)c1sccc1F 334263366 133433686 /nfs/dbraw/zinc/43/36/86/133433686.db2.gz JTGJTMGJORIONF-UHFFFAOYSA-N 0 0 199.250 2.145 10 30 AEEERN C=CC(C)(C)C(=O)N1CCCCC1 334666634 133434890 /nfs/dbraw/zinc/43/48/90/133434890.db2.gz CLIQANFHTUJZBF-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C[C@@H]1CCCCN1c1nncs1 334673969 133434904 /nfs/dbraw/zinc/43/49/04/133434904.db2.gz AVJLXGSMHDZHKP-MRVPVSSYSA-N 0 0 195.291 2.083 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](F)C1 334836258 133434948 /nfs/dbraw/zinc/43/49/48/133434948.db2.gz DPJGUUCIRXETKQ-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCNC(=O)N1[C@@H](C)CC[C@H]1CC 335091367 133435855 /nfs/dbraw/zinc/43/58/55/133435855.db2.gz DKKIARLYMKNHMC-VHSXEESVSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCNC(=O)N(C)C1CC(C)(C)C1 335577785 133437042 /nfs/dbraw/zinc/43/70/42/133437042.db2.gz XFZYESKMFZKUHA-UHFFFAOYSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]1C 335597272 133437126 /nfs/dbraw/zinc/43/71/26/133437126.db2.gz SRTFLCKRAHWWLZ-ZJUUUORDSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC(C)C1 335593784 133437161 /nfs/dbraw/zinc/43/71/61/133437161.db2.gz XTJYZMQILWCPHQ-JTQLQIEISA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H]1C 335597271 133437235 /nfs/dbraw/zinc/43/72/35/133437235.db2.gz SRTFLCKRAHWWLZ-VHSXEESVSA-N 0 0 195.306 2.456 10 30 AEEERN C[C@H]1CC[C@@H](C)N1C(=O)CCCC#N 335860809 133437900 /nfs/dbraw/zinc/43/79/00/133437900.db2.gz GXVUPJMTNVNAOF-AOOOYVTPSA-N 0 0 194.278 2.080 10 30 AEEERN C=CCCC(=O)N1CCCC12CCC2 336059341 133438158 /nfs/dbraw/zinc/43/81/58/133438158.db2.gz XWKBGBFUZGQXTO-UHFFFAOYSA-N 0 0 193.290 2.498 10 30 AEEERN C=CCNC(=O)[C@]1(C)CC=CCC1 336237670 133438897 /nfs/dbraw/zinc/43/88/97/133438897.db2.gz BWSOWHKMINJJJQ-LLVKDONJSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCN(C)C(=O)[C@]1(C)CCC[C@@H]1C 336262409 133439351 /nfs/dbraw/zinc/43/93/51/133439351.db2.gz FRXQYFYCBQUVGU-CMPLNLGQSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCC1(C(=O)N2CC(C)C2)CCC1 336257959 133439575 /nfs/dbraw/zinc/43/95/75/133439575.db2.gz COTILGJOVMIZBX-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CCN(C(=O)[C@H](C)C2CC2)CC1 336527219 133440662 /nfs/dbraw/zinc/44/06/62/133440662.db2.gz BBERCZVFBXAVJM-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C[C@@H](C#N)SCc1ccco1 48101663 136408816 /nfs/dbraw/zinc/40/88/16/136408816.db2.gz ARCXHJSRVXJUFC-ZETCQYMHSA-N 0 0 167.233 2.425 10 30 AEEERN C=C(C)CNc1cc(C)nc(C)n1 167627024 136415988 /nfs/dbraw/zinc/41/59/88/136415988.db2.gz GFZBLYFHGHKNGS-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC[C@@H](F)C1 335163061 136426710 /nfs/dbraw/zinc/42/67/10/136426710.db2.gz AQILVZOWFWJBDA-NXEZZACHSA-N 0 0 199.269 2.207 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC[C@H](F)C1 335163066 136426793 /nfs/dbraw/zinc/42/67/93/136426793.db2.gz AQILVZOWFWJBDA-ZJUUUORDSA-N 0 0 199.269 2.207 10 30 AEEERN C=C(C)CNC(=O)[C@H]1CCC[C@H](F)C1 335163062 136426797 /nfs/dbraw/zinc/42/67/97/136426797.db2.gz AQILVZOWFWJBDA-UWVGGRQHSA-N 0 0 199.269 2.207 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@H](F)C1 335163515 136426839 /nfs/dbraw/zinc/42/68/39/136426839.db2.gz IDCBTKALNREWJF-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCCCC(=O)CCCCO 1559133 342947061 /nfs/dbraw/zinc/94/70/61/342947061.db2.gz LPTQAEZKGVKNPJ-UHFFFAOYSA-N 0 0 170.252 2.074 10 30 AEEERN Cc1cc(CC#N)c(C)c([N+](=O)[O-])c1 1562234 342947534 /nfs/dbraw/zinc/94/75/34/342947534.db2.gz ONEKRZQNJHXOGV-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN CC[C@H](C)CCC=O 2006813 342966223 /nfs/dbraw/zinc/96/62/23/342966223.db2.gz GIGNTOMJQYNUNL-ZETCQYMHSA-N 0 0 114.188 2.012 10 30 AEEERN CC(=O)C1=CCCCCC1 2019197 342966842 /nfs/dbraw/zinc/96/68/42/342966842.db2.gz CZSBBWHUCQLKNQ-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN C=CC(=O)c1cc(OC)cc(OC)c1 2579538 342978675 /nfs/dbraw/zinc/97/86/75/342978675.db2.gz IIGKVLRKGLQEHL-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN CC1=CC(=O)C=CC1(C)C 5064436 342998531 /nfs/dbraw/zinc/99/85/31/342998531.db2.gz XWYNZKIPFPUMPJ-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN CC1=CC=CC(C)(C)C1=O 5457400 343003160 /nfs/dbraw/zinc/00/31/60/343003160.db2.gz HRIODPQRCSAJMO-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN CCCCC[C@H](C)C=O 5513343 343004300 /nfs/dbraw/zinc/00/43/00/343004300.db2.gz DHEKCFIOOSCJRW-QMMMGPOBSA-N 0 0 128.215 2.402 10 30 AEEERN CCCC[C@@H](C)CC=O 5821677 343008939 /nfs/dbraw/zinc/00/89/39/343008939.db2.gz KKFRYFDYAVLCHJ-MRVPVSSYSA-N 0 0 128.215 2.402 10 30 AEEERN Cc1ccc(CC[C@H]2CO2)cc1 6070854 343012448 /nfs/dbraw/zinc/01/24/48/343012448.db2.gz CLHBSQBGFQJMKB-NSHDSACASA-N 0 0 162.232 2.326 10 30 AEEERN N#Cc1cccc(-c2cncnc2)c1 6863133 343016765 /nfs/dbraw/zinc/01/67/65/343016765.db2.gz BSZRWOTWRHTWPW-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN Cc1cccc(C)c1OCCC=O 11569647 343022641 /nfs/dbraw/zinc/02/26/41/343022641.db2.gz ILVKKFYWIIKFRW-UHFFFAOYSA-N 0 0 178.231 2.271 10 30 AEEERN Cc1ccc(C)c(OCC=O)c1C 11584265 343023014 /nfs/dbraw/zinc/02/30/14/343023014.db2.gz PVCVYVKLLNLBTL-UHFFFAOYSA-N 0 0 178.231 2.190 10 30 AEEERN C=CCC(=O)Nc1ccccc1 13380328 343034767 /nfs/dbraw/zinc/03/47/67/343034767.db2.gz COUYSMBTUNHPFK-UHFFFAOYSA-N 0 0 161.204 2.201 10 30 AEEERN C=C(C)[C@H]1CC=C(C)C[C@@H]1O 14588388 343039197 /nfs/dbraw/zinc/03/91/97/343039197.db2.gz ZTDBSRAQWPKHIO-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN CC[C@@H]1CCC[C@@H]1C=O 15204856 343041773 /nfs/dbraw/zinc/04/17/73/343041773.db2.gz GYZGPIMCDMSOTN-HTQZYQBOSA-N 0 0 126.199 2.012 10 30 AEEERN CCCCNc1cc(C#N)ccn1 19515595 343057266 /nfs/dbraw/zinc/05/72/66/343057266.db2.gz DNAOKJDBCKBPIY-UHFFFAOYSA-N 0 0 175.235 2.165 10 30 AEEERN C=CCCOc1ccc(CO)cc1 20519416 343073940 /nfs/dbraw/zinc/07/39/40/343073940.db2.gz BMSDUIWGDASZDU-UHFFFAOYSA-N 0 0 178.231 2.134 10 30 AEEERN CC(C)[C@H](C)Nc1cc(C#N)ccn1 20523555 343074199 /nfs/dbraw/zinc/07/41/99/343074199.db2.gz ACOCJOKBRQVCCE-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN Cc1cc(C)c([C@@H](N)C#N)c(C)c1 22164460 343079786 /nfs/dbraw/zinc/07/97/86/343079786.db2.gz MULNMIVVKBVHAT-JTQLQIEISA-N 0 0 174.247 2.135 10 30 AEEERN CC(C)(O)C#Cc1cccc(Cl)c1 22203148 343080866 /nfs/dbraw/zinc/08/08/66/343080866.db2.gz GRUBHRFOQSKQPF-UHFFFAOYSA-N 0 0 194.661 2.462 10 30 AEEERN C[C@H]1CCCCC[C@@H]1C=O 23699258 343083945 /nfs/dbraw/zinc/08/39/45/343083945.db2.gz ZPIQORJAWOCASW-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@H]1CCCCC[C@H]1C=O 23699263 343083950 /nfs/dbraw/zinc/08/39/50/343083950.db2.gz ZPIQORJAWOCASW-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN CC1([C@@H]2CO2)CCCCC1 23789772 343083952 /nfs/dbraw/zinc/08/39/52/343083952.db2.gz PAFQYTYLLJTMJQ-QMMMGPOBSA-N 0 0 140.226 2.356 10 30 AEEERN CC1([C@H]2CO2)CCCCC1 23789774 343083999 /nfs/dbraw/zinc/08/39/99/343083999.db2.gz PAFQYTYLLJTMJQ-MRVPVSSYSA-N 0 0 140.226 2.356 10 30 AEEERN CC(C)C(C(C)C)[C@@H]1CO1 23825977 343084468 /nfs/dbraw/zinc/08/44/68/343084468.db2.gz QVZJKOYZLGKEPH-QMMMGPOBSA-N 0 0 142.242 2.313 10 30 AEEERN CC(C)C(C(C)C)[C@H]1CO1 23825980 343084552 /nfs/dbraw/zinc/08/45/52/343084552.db2.gz QVZJKOYZLGKEPH-MRVPVSSYSA-N 0 0 142.242 2.313 10 30 AEEERN Cc1ccc(OC[C@@H]2CO2)cc1C 22168869 343080394 /nfs/dbraw/zinc/08/03/94/343080394.db2.gz ZABVHXJGMITPLQ-LLVKDONJSA-N 0 0 178.231 2.081 10 30 AEEERN C[NH+](C)CC#Cc1ccc(Cl)cc1 26951062 343090845 /nfs/dbraw/zinc/09/08/45/343090845.db2.gz UXGKFWZWLKAQSJ-UHFFFAOYSA-N 0 0 193.677 2.253 10 30 AEEERN C#C[C@H](C)OC(=O)c1ccc(C)cc1 32176419 343099780 /nfs/dbraw/zinc/09/97/80/343099780.db2.gz ISZQQMZRWTVINR-JTQLQIEISA-N 0 0 188.226 2.174 10 30 AEEERN CC#CC[C@@H]1CCCCC1=O 32171726 343099786 /nfs/dbraw/zinc/09/97/86/343099786.db2.gz JNULPQQVLJEQMV-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN CCO/C=N/c1ccc(OC)cc1 32221158 343101404 /nfs/dbraw/zinc/10/14/04/343101404.db2.gz RYJQPXVATHVPCF-DHZHZOJOSA-N 0 0 179.219 2.392 10 30 AEEERN CN(C)c1ccc(NCCC#N)cc1 32026750 343097143 /nfs/dbraw/zinc/09/71/43/343097143.db2.gz IPDQZYZTVUGLOE-UHFFFAOYSA-N 0 0 189.262 2.078 10 30 AEEERN N#Cc1sc2c(c1C#N)CCCC2 33947351 343108097 /nfs/dbraw/zinc/10/80/97/343108097.db2.gz XIQTYGCYGMSBSP-UHFFFAOYSA-N 0 0 188.255 2.370 10 30 AEEERN C[C@@H](C=O)[C@H]1CC=CCC1 33961387 343108653 /nfs/dbraw/zinc/10/86/53/343108653.db2.gz WHXRWZTVIOYFFP-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN CCCC#Cc1nccs1 33966035 343108668 /nfs/dbraw/zinc/10/86/68/343108668.db2.gz ZLQNIRDQANOVNB-UHFFFAOYSA-N 0 0 151.234 2.295 10 30 AEEERN C[C@]1(C(=O)/C=C\c2ccccc2)CO1 33378739 343104596 /nfs/dbraw/zinc/10/45/96/343104596.db2.gz DTWKLMCZLIBJAN-QDZRJHCZSA-N 0 0 188.226 2.058 10 30 AEEERN CC[C@H](C)[C@](C#N)(CC)C(=O)OC 33606128 343105577 /nfs/dbraw/zinc/10/55/77/343105577.db2.gz ACADKHGAMCGGHY-WCBMZHEXSA-N 0 0 183.251 2.125 10 30 AEEERN C[C@]1(CCc2ccccc2)CO1 34122717 343111358 /nfs/dbraw/zinc/11/13/58/343111358.db2.gz ZNHGNSDJJWGXAY-NSHDSACASA-N 0 0 162.232 2.408 10 30 AEEERN C=CC[C@H](O)COCc1ccccc1 34115978 343111362 /nfs/dbraw/zinc/11/13/62/343111362.db2.gz KTFVKQQUQQYFPB-LBPRGKRZSA-N 0 0 192.258 2.140 10 30 AEEERN C[C@@]1(CCc2ccccc2)CO1 34122718 343111374 /nfs/dbraw/zinc/11/13/74/343111374.db2.gz ZNHGNSDJJWGXAY-LLVKDONJSA-N 0 0 162.232 2.408 10 30 AEEERN C=C[C@H]1COC(=O)N1c1ccccc1 34189575 343113255 /nfs/dbraw/zinc/11/32/55/343113255.db2.gz RIOBQXVWQLFGTQ-VIFPVBQESA-N 0 0 189.214 2.198 10 30 AEEERN CCCCC[C@@H](C#N)OC(C)=O 34265332 343114883 /nfs/dbraw/zinc/11/48/83/343114883.db2.gz HYRBUECMEDAHLK-VIFPVBQESA-N 0 0 169.224 2.022 10 30 AEEERN CCOC(=O)/N=C(/OCC)C(C)C 34256736 343114937 /nfs/dbraw/zinc/11/49/37/343114937.db2.gz CYGXEZBIAOFIDK-CSKARUKUSA-N 0 0 187.239 2.234 10 30 AEEERN C#C[C@@H](O)C(C)(C)CCCC 34308111 343116413 /nfs/dbraw/zinc/11/64/13/343116413.db2.gz YRMRNHMBKKUDQO-SECBINFHSA-N 0 0 154.253 2.197 10 30 AEEERN C/C=C/CC(C)(C)C=O 34309855 343116428 /nfs/dbraw/zinc/11/64/28/343116428.db2.gz RTIRHTGJIQLEQV-SNAWJCMRSA-N 0 0 126.199 2.178 10 30 AEEERN CC(=O)c1cc(F)cc(C#N)c1F 34330890 343116771 /nfs/dbraw/zinc/11/67/71/343116771.db2.gz CGEHHLCBBWUSNB-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN N#Cc1cc(Cl)c(N)cc1Cl 34355118 343117196 /nfs/dbraw/zinc/11/71/96/343117196.db2.gz VFZOPOZDIBQSJG-UHFFFAOYSA-N 0 0 187.029 2.447 10 30 AEEERN O=C(C1=CCCC1)C1=COCCC1 34413914 343118853 /nfs/dbraw/zinc/11/88/53/343118853.db2.gz OXIVDGBBSHWCEO-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN CC(=O)/C(C)=C/c1ccco1 34283083 343115717 /nfs/dbraw/zinc/11/57/17/343115717.db2.gz DSUJXIPVQQYNOD-VOTSOKGWSA-N 0 0 150.177 2.272 10 30 AEEERN Cc1cc(CC#N)cc(C)c1O 34286438 343115811 /nfs/dbraw/zinc/11/58/11/343115811.db2.gz JOXVSUUABHLJFJ-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN CC(=O)OC1(CCC=O)CCCCC1 34616804 343123387 /nfs/dbraw/zinc/12/33/87/343123387.db2.gz WXXQDQUDSIGRKC-UHFFFAOYSA-N 0 0 198.262 2.232 10 30 AEEERN C[C@@H](/C=N/O)OCc1ccccc1 34618400 343123728 /nfs/dbraw/zinc/12/37/28/343123728.db2.gz PTTDPTIVNAQJIA-FKVCUQLRSA-N 0 0 179.219 2.052 10 30 AEEERN C=CC[S@](=O)c1ccc(C)cc1 34622141 343123742 /nfs/dbraw/zinc/12/37/42/343123742.db2.gz LFVGJPZLPJBICF-GFCCVEGCSA-N 0 0 180.272 2.289 10 30 AEEERN C=CC[C@@H](C=O)OCc1ccccc1 34618778 343123756 /nfs/dbraw/zinc/12/37/56/343123756.db2.gz KWCUZEDBINCZKZ-LBPRGKRZSA-N 0 0 190.242 2.347 10 30 AEEERN Cc1ccc(C(=O)[C@@H](C)C#N)s1 34975769 343126761 /nfs/dbraw/zinc/12/67/61/343126761.db2.gz DHCDJMFKNAAYFK-LURJTMIESA-N 0 0 179.244 2.399 10 30 AEEERN C=C(C(=O)OC)[C@H](F)c1ccccc1 34455269 343119811 /nfs/dbraw/zinc/11/98/11/343119811.db2.gz CHVHNNVOVDZBRH-JTQLQIEISA-N 0 0 194.205 2.426 10 30 AEEERN C[C@H](C#N)C(=O)c1cc(F)ccc1F 34975758 343126783 /nfs/dbraw/zinc/12/67/83/343126783.db2.gz ONXQUSAWTZTRAA-ZCFIWIBFSA-N 0 0 195.168 2.307 10 30 AEEERN N#CCC1(CC#N)CCCC1 35302523 343131918 /nfs/dbraw/zinc/13/19/18/343131918.db2.gz RMWDBCBOIKGNKV-UHFFFAOYSA-N 0 0 148.209 2.374 10 30 AEEERN CCCCC=C=CC(C)=O 36455616 343145881 /nfs/dbraw/zinc/14/58/81/343145881.db2.gz NLCNACWBDXXDHO-UHFFFAOYSA-N 0 0 138.210 2.477 10 30 AEEERN CO/C(C)=N/c1ccccc1 36466227 343146327 /nfs/dbraw/zinc/14/63/27/343146327.db2.gz NXOVMTOMPVKBFG-CSKARUKUSA-N 0 0 149.193 2.383 10 30 AEEERN CC1(C)CCCC[C@@]12CO2 36466163 343146334 /nfs/dbraw/zinc/14/63/34/343146334.db2.gz WYELSWCDEIETOL-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN C#C[C@H](CCCCC)OC(C)=O 36466450 343146374 /nfs/dbraw/zinc/14/63/74/343146374.db2.gz IKEZOEYIWYOVCD-SNVBAGLBSA-N 0 0 168.236 2.132 10 30 AEEERN CC[C@H](C#N)C(=O)c1cccs1 36916049 343154408 /nfs/dbraw/zinc/15/44/08/343154408.db2.gz RAURFQPBOKXBPD-SSDOTTSWSA-N 0 0 179.244 2.481 10 30 AEEERN C[C@H](C#N)CN1CCc2ccccc21 36984982 343156971 /nfs/dbraw/zinc/15/69/71/343156971.db2.gz KOHJQEITMDKNOQ-SNVBAGLBSA-N 0 0 186.258 2.209 10 30 AEEERN Cc1ccc([C@@H](C#N)N(C)C)c(C)c1 37355087 343165751 /nfs/dbraw/zinc/16/57/51/343165751.db2.gz KEQNPGPVELWGTF-GFCCVEGCSA-N 0 0 188.274 2.430 10 30 AEEERN CN(C)[C@H](C#N)c1ccc(F)cc1F 37354806 343165753 /nfs/dbraw/zinc/16/57/53/343165753.db2.gz XHRPYBBBEQHBQR-SNVBAGLBSA-N 0 0 196.200 2.091 10 30 AEEERN CC[C@@](C)(C#N)N1CCCCC1 37356859 343165808 /nfs/dbraw/zinc/16/58/08/343165808.db2.gz LHMQKFVHWCJBNX-JTQLQIEISA-N 0 0 166.268 2.165 10 30 AEEERN C[C@H](C#N)Nc1ccccc1F 37853324 343178529 /nfs/dbraw/zinc/17/85/29/343178529.db2.gz PNLLOAOWPPGAQY-SSDOTTSWSA-N 0 0 164.183 2.150 10 30 AEEERN CC[C@H](C#N)Nc1cccc(OC)c1 37937816 343182420 /nfs/dbraw/zinc/18/24/20/343182420.db2.gz GGIWYPQHRWHSIT-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN C[C@H](C#N)Nc1cccc(F)c1 37937090 343182428 /nfs/dbraw/zinc/18/24/28/343182428.db2.gz KYKMHZNZSBKKGR-SSDOTTSWSA-N 0 0 164.183 2.150 10 30 AEEERN CC[C@](C)(C#N)NC1CCCC1 37968521 343182988 /nfs/dbraw/zinc/18/29/88/343182988.db2.gz NQDWXVXASJVVFJ-SNVBAGLBSA-N 0 0 166.268 2.211 10 30 AEEERN CC[C@H](C#N)NC1CCCCC1 37969462 343182990 /nfs/dbraw/zinc/18/29/90/343182990.db2.gz SBLBEZURZBKUOV-SECBINFHSA-N 0 0 166.268 2.211 10 30 AEEERN CC(C)c1ccc(C#CCO)cc1 38064132 343184152 /nfs/dbraw/zinc/18/41/52/343184152.db2.gz NSISXVKKNXUSJC-UHFFFAOYSA-N 0 0 174.243 2.154 10 30 AEEERN O=C1C=C[C@]2(CCCCC2=O)CC1 38292747 343186982 /nfs/dbraw/zinc/18/69/82/343186982.db2.gz OJEVPKUHIYKFSX-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN C=CCc1c(C=O)cccc1OC 38312375 343186998 /nfs/dbraw/zinc/18/69/98/343186998.db2.gz OQOUDZFBMYRNCD-UHFFFAOYSA-N 0 0 176.215 2.236 10 30 AEEERN C=C[C@H](O)/C=C/c1ccccc1 38433872 343188276 /nfs/dbraw/zinc/18/82/76/343188276.db2.gz YITIUMGRXQMJTQ-FBOQAHMBSA-N 0 0 160.216 2.247 10 30 AEEERN C=C[C@@H](O)/C=C/c1ccccc1 38433873 343188354 /nfs/dbraw/zinc/18/83/54/343188354.db2.gz YITIUMGRXQMJTQ-ANYFNZRUSA-N 0 0 160.216 2.247 10 30 AEEERN CCOP(=O)(CS)OCC 38434446 343188745 /nfs/dbraw/zinc/18/87/45/343188745.db2.gz LLICBHIXBXGUPR-UHFFFAOYSA-N 0 0 184.197 2.140 10 30 AEEERN C=CCOCc1ccc2c(c1)OCO2 38234932 343186023 /nfs/dbraw/zinc/18/60/23/343186023.db2.gz KHWKZXRACLOKIZ-UHFFFAOYSA-N 0 0 192.214 2.118 10 30 AEEERN C=CCOCc1cccc(OC)c1 38234499 343186095 /nfs/dbraw/zinc/18/60/95/343186095.db2.gz VXUKBPNKEUXDDB-UHFFFAOYSA-N 0 0 178.231 2.398 10 30 AEEERN C#CC[C@H]1O[C@H]1CCCCC 38301472 343186937 /nfs/dbraw/zinc/18/69/37/343186937.db2.gz FSHSLXWWPLVSOB-ZJUUUORDSA-N 0 0 152.237 2.357 10 30 AEEERN N#C[C@H](N)CC1=Cc2ccccc2CC1 38951034 343192659 /nfs/dbraw/zinc/19/26/59/343192659.db2.gz MCCSHBZLJPBOID-CYBMUJFWSA-N 0 0 198.269 2.257 10 30 AEEERN CC1=CC(=O)C[C@H]2CCC=C12 39059062 343195085 /nfs/dbraw/zinc/19/50/85/343195085.db2.gz RLMVJYHLMRHUIX-MRVPVSSYSA-N 0 0 148.205 2.242 10 30 AEEERN Cc1ccc([C@H]2C[C@H]2C=O)cc1 39060563 343195119 /nfs/dbraw/zinc/19/51/19/343195119.db2.gz NSAPRDVGOYZLEC-WDEREUQCSA-N 0 0 160.216 2.297 10 30 AEEERN SC[C@@H]1CC=CCC1 39204250 343206069 /nfs/dbraw/zinc/20/60/69/343206069.db2.gz XLFOQIBUPFNWTC-SSDOTTSWSA-N 0 0 128.240 2.273 10 30 AEEERN SC[C@H]1CC=CCC1 39204251 343206113 /nfs/dbraw/zinc/20/61/13/343206113.db2.gz XLFOQIBUPFNWTC-ZETCQYMHSA-N 0 0 128.240 2.273 10 30 AEEERN C[C@H](C=O)Cc1cccs1 39207971 343206116 /nfs/dbraw/zinc/20/61/16/343206116.db2.gz RDKHZDTXSNYXJW-ZETCQYMHSA-N 0 0 154.234 2.126 10 30 AEEERN CC(C)C1=CCCCC1=O 39214447 343206466 /nfs/dbraw/zinc/20/64/66/343206466.db2.gz YMLSAUQCRYZBCR-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)[C@H]1CC(C(C)=O)=C(C)O1 39271903 343209356 /nfs/dbraw/zinc/20/93/56/343209356.db2.gz XIPFDMHXHFSLPF-SNVBAGLBSA-N 0 0 166.220 2.214 10 30 AEEERN O=CC12CCC(F)(CC1)CC2 39282001 343209813 /nfs/dbraw/zinc/20/98/13/343209813.db2.gz OVSOUYAVBQNARM-UHFFFAOYSA-N 0 0 156.200 2.248 10 30 AEEERN C=CC(=O)C1=CCCCC1 39234070 343207133 /nfs/dbraw/zinc/20/71/33/343207133.db2.gz JPFCSCMSXWDZPA-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C=C(C)[C@@H](O)COCc1ccccc1 39240262 343207537 /nfs/dbraw/zinc/20/75/37/343207537.db2.gz HOEBLAPFNZPWIE-LBPRGKRZSA-N 0 0 192.258 2.140 10 30 AEEERN C=C(C)[C@H](O)COCc1ccccc1 39240261 343207556 /nfs/dbraw/zinc/20/75/56/343207556.db2.gz HOEBLAPFNZPWIE-GFCCVEGCSA-N 0 0 192.258 2.140 10 30 AEEERN CC[C@](C)(C#N)NC(=O)OC(C)(C)C 40357904 343217198 /nfs/dbraw/zinc/21/71/98/343217198.db2.gz CGGFKOXBKBHHMJ-SNVBAGLBSA-N 0 0 198.266 2.203 10 30 AEEERN CCCCOc1ccc(N)cc1C#N 40887409 343223604 /nfs/dbraw/zinc/22/36/04/343223604.db2.gz AQLIIQXHGXZVMJ-UHFFFAOYSA-N 0 0 190.246 2.319 10 30 AEEERN CC[C@H](C)Oc1ccc(N)cc1C#N 40887486 343223626 /nfs/dbraw/zinc/22/36/26/343223626.db2.gz FVRYUDMTELFHME-QMMMGPOBSA-N 0 0 190.246 2.318 10 30 AEEERN CCc1ccc([C@H]2CO2)s1 41062322 343230153 /nfs/dbraw/zinc/23/01/53/343230153.db2.gz WJQBFUITPUTRAD-SSDOTTSWSA-N 0 0 154.234 2.382 10 30 AEEERN CCc1nccn1[C@@H]1CCC[C@H]1C#N 42419815 343242119 /nfs/dbraw/zinc/24/21/19/343242119.db2.gz FRIZPUPSIWSSFD-VHSXEESVSA-N 0 0 189.262 2.310 10 30 AEEERN Cc1c(C#N)cc(Cl)cc1[N+](=O)[O-] 43220639 343250469 /nfs/dbraw/zinc/25/04/69/343250469.db2.gz URHNBNZXLYAALF-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 in-vitro AEEERN Cc1ccc(N[C@@H](C)C#N)c(F)c1 43514703 343253077 /nfs/dbraw/zinc/25/30/77/343253077.db2.gz SMKALHUMPLKTPU-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1ccc(F)c(N[C@H](C)C#N)c1 43514736 343253342 /nfs/dbraw/zinc/25/33/42/343253342.db2.gz NHCRNXDZKOAGJV-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN CCC1CCN([C@@H](C)C#N)CC1 43522085 343254202 /nfs/dbraw/zinc/25/42/02/343254202.db2.gz HKPSLKVRZUTSHR-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H](C#N)OCc1cccs1 43522753 343254550 /nfs/dbraw/zinc/25/45/50/343254550.db2.gz HWFXQHHPKQVTCT-SSDOTTSWSA-N 0 0 167.233 2.177 10 30 AEEERN CC[C@H](C#N)n1nc(C)c(C)c1C 43556901 343255862 /nfs/dbraw/zinc/25/58/62/343255862.db2.gz CDMMDXZSBIHVGM-SNVBAGLBSA-N 0 0 177.251 2.283 10 30 AEEERN C=CC[C@@H]1C[C@H](C)CC[C@@H]1O 43660018 343258450 /nfs/dbraw/zinc/25/84/50/343258450.db2.gz SNPIKFDLQFWBRM-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC[C@@H]1C[C@@H](C)CC[C@H]1O 43660024 343258763 /nfs/dbraw/zinc/25/87/63/343258763.db2.gz SNPIKFDLQFWBRM-IVZWLZJFSA-N 0 0 154.253 2.360 10 30 AEEERN CC[C@H](C#N)Sc1ccc(N)cn1 43542943 343255032 /nfs/dbraw/zinc/25/50/32/343255032.db2.gz VZKPGAYCQXTPSH-MRVPVSSYSA-N 0 0 193.275 2.058 10 30 AEEERN C[C@H](C#N)N(C)Cc1cccc(F)c1 44287244 343263201 /nfs/dbraw/zinc/26/32/01/343263201.db2.gz NFPJYVZYEASUGB-SECBINFHSA-N 0 0 192.237 2.170 10 30 AEEERN C[C@H](C#N)N(C)Cc1ccccc1F 44287274 343263216 /nfs/dbraw/zinc/26/32/16/343263216.db2.gz MXFDYIYEJWIYGO-SECBINFHSA-N 0 0 192.237 2.170 10 30 AEEERN CCN(CC#N)Cc1ccccc1C 44317512 343263592 /nfs/dbraw/zinc/26/35/92/343263592.db2.gz FHXDHKZXWMDMEZ-UHFFFAOYSA-N 0 0 188.274 2.341 10 30 AEEERN N#CCc1ccc(Cl)c(C#N)c1 44369293 343264008 /nfs/dbraw/zinc/26/40/08/343264008.db2.gz HCFWEKAYXJTYGO-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN COc1cc(C)c(CC#N)c(OC)c1 44368830 343264018 /nfs/dbraw/zinc/26/40/18/343264018.db2.gz ZKZNMINPUHEYRH-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN CC[C@H](C#N)Oc1ccccc1C#N 44427839 343265343 /nfs/dbraw/zinc/26/53/43/343265343.db2.gz SVFBOZALASJRCW-SNVBAGLBSA-N 0 0 186.214 2.239 10 30 AEEERN Cc1cccc(CN(C)[C@@H](C)C#N)c1 44427522 343265371 /nfs/dbraw/zinc/26/53/71/343265371.db2.gz BSKZWHNWASHPLL-NSHDSACASA-N 0 0 188.274 2.339 10 30 AEEERN CC[C@H](C#N)Oc1cccc(C#N)c1 44427835 343265384 /nfs/dbraw/zinc/26/53/84/343265384.db2.gz CICPOSDHGRUANK-SNVBAGLBSA-N 0 0 186.214 2.239 10 30 AEEERN Cc1cccc(CN(C)[C@H](C)C#N)c1 44427523 343265447 /nfs/dbraw/zinc/26/54/47/343265447.db2.gz BSKZWHNWASHPLL-LLVKDONJSA-N 0 0 188.274 2.339 10 30 AEEERN Cc1cc(C#N)cc2sc(N)nc12 45237923 343271938 /nfs/dbraw/zinc/27/19/38/343271938.db2.gz MVPDKNRVJUFPJQ-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN N#Cc1ccnc2c(Cl)c[nH]c12 44713025 343268387 /nfs/dbraw/zinc/26/83/87/343268387.db2.gz YECATBGONZJMNT-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN CC[C@H](NC(=O)[C@@H](C#N)CC)C(C)C 44825093 343270177 /nfs/dbraw/zinc/27/01/77/343270177.db2.gz GVSMVOHGYLINDP-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN CC1(C)C[C@H]1Nc1cc(C#N)ccn1 45135732 343271310 /nfs/dbraw/zinc/27/13/10/343271310.db2.gz CQQQTLWRRBFYEE-SECBINFHSA-N 0 0 187.246 2.164 10 30 AEEERN Cc1ccc([C@H](C)NCC#N)cc1 49556809 343276176 /nfs/dbraw/zinc/27/61/76/343276176.db2.gz IDCOHMDIHRYDKM-JTQLQIEISA-N 0 0 174.247 2.169 10 30 AEEERN Cc1cccc(N(C)CC#N)c1C 49805179 343276591 /nfs/dbraw/zinc/27/65/91/343276591.db2.gz CBGAJULGCWWNAV-UHFFFAOYSA-N 0 0 174.247 2.263 10 30 AEEERN C#Cc1cccc(NCC=C)c1 50521747 343283493 /nfs/dbraw/zinc/28/34/93/343283493.db2.gz DTTXTLMLJJLUBQ-UHFFFAOYSA-N 0 0 157.216 2.266 10 30 AEEERN CC[C@H](C#N)N1CCC[C@H](C)[C@@H]1C 50564807 343284490 /nfs/dbraw/zinc/28/44/90/343284490.db2.gz KYKRVFREDIOXEO-GARJFASQSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H](CC#N)N1Cc2ccccc2C1 50911298 343286553 /nfs/dbraw/zinc/28/65/53/343286553.db2.gz ZDUAXVLYMCMYNH-JTQLQIEISA-N 0 0 186.258 2.304 10 30 AEEERN C[C@H](C#N)CN1Cc2ccccc2C1 50911255 343286756 /nfs/dbraw/zinc/28/67/56/343286756.db2.gz TWVSXWIAFSYLDV-SNVBAGLBSA-N 0 0 186.258 2.162 10 30 AEEERN O=C(C1=CCCC1)[C@H]1CCCCO1 50960461 343287122 /nfs/dbraw/zinc/28/71/22/343287122.db2.gz WQZANQNCGAOSNL-SNVBAGLBSA-N 0 0 180.247 2.235 10 30 AEEERN O=C(C1=CCCC1)[C@@H]1CCCCO1 50960458 343287124 /nfs/dbraw/zinc/28/71/24/343287124.db2.gz WQZANQNCGAOSNL-JTQLQIEISA-N 0 0 180.247 2.235 10 30 AEEERN C#CCC(=O)c1ccc(F)c(C)c1 51074342 343288627 /nfs/dbraw/zinc/28/86/27/343288627.db2.gz LWAMBFHWXBJSIY-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C#CC[C@@H](O)c1ccc(CC)cc1 51074403 343288668 /nfs/dbraw/zinc/28/86/68/343288668.db2.gz UCXLZIUHIKENGB-GFCCVEGCSA-N 0 0 174.243 2.306 10 30 AEEERN C#CCC(=O)Cc1ccccc1Cl 51074362 343288703 /nfs/dbraw/zinc/28/87/03/343288703.db2.gz VQZSNECXPXWHDC-UHFFFAOYSA-N 0 0 192.645 2.475 10 30 AEEERN C#CCC(=O)c1ccc(C)c(F)c1 51074333 343288707 /nfs/dbraw/zinc/28/87/07/343288707.db2.gz GTRYDBJQZQYUGO-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C#CC[C@H](O)Cc1ccccc1Cl 51074480 343288708 /nfs/dbraw/zinc/28/87/08/343288708.db2.gz BJDDWCSOVYZZLO-JTQLQIEISA-N 0 0 194.661 2.267 10 30 AEEERN C#CCC(=O)C1CCC(C)CC1 51074369 343288714 /nfs/dbraw/zinc/28/87/14/343288714.db2.gz WOQOPNCNOZFFDN-UHFFFAOYSA-N 0 0 164.248 2.405 10 30 AEEERN C#CC[C@@H](O)c1ccc(F)c(F)c1 51074402 343288724 /nfs/dbraw/zinc/28/87/24/343288724.db2.gz IHVJMCRASFVBPG-SNVBAGLBSA-N 0 0 182.169 2.022 10 30 AEEERN C#CCC(=O)c1cc(F)cc(F)c1 51074356 343288727 /nfs/dbraw/zinc/28/87/27/343288727.db2.gz XHLLMADLHRFJHO-UHFFFAOYSA-N 0 0 180.153 2.171 10 30 AEEERN C#CCC(=O)Cc1ccc(Cl)cc1 51074319 343288731 /nfs/dbraw/zinc/28/87/31/343288731.db2.gz HKTRZTJDKCAULU-UHFFFAOYSA-N 0 0 192.645 2.475 10 30 AEEERN C#CCC(=O)C1CCCCC1 51074334 343288734 /nfs/dbraw/zinc/28/87/34/343288734.db2.gz QOIAHUYPDSQDQE-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C#CCC(=O)c1ccc(F)c(F)c1 51074317 343288736 /nfs/dbraw/zinc/28/87/36/343288736.db2.gz LZSBCJKCDHKNGO-UHFFFAOYSA-N 0 0 180.153 2.171 10 30 AEEERN C[C@H](O)[C@H](C)CC#Cc1ccccc1 51814836 343293793 /nfs/dbraw/zinc/29/37/93/343293793.db2.gz BJQGBDVCSOALGU-NEPJUHHUSA-N 0 0 188.270 2.445 10 30 AEEERN C=C[C@H](C)Oc1ccccc1O 52143159 343301336 /nfs/dbraw/zinc/30/13/36/343301336.db2.gz WEKWWNWHHOLWKA-QMMMGPOBSA-N 0 0 164.204 2.346 10 30 AEEERN C=C[C@H](C)[C@H]1CCCC1=O 52143359 343301348 /nfs/dbraw/zinc/30/13/48/343301348.db2.gz SKVMIZMEKHIOQY-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)c1cc(=S)n(CCC#N)[nH]1 52305251 343305653 /nfs/dbraw/zinc/30/56/53/343305653.db2.gz WIIPDCPAYFMIEM-UHFFFAOYSA-N 0 0 195.291 2.209 10 30 AEEERN CC[C@@H](C#N)Sc1cc(C)nn1C 52309917 343305850 /nfs/dbraw/zinc/30/58/50/343305850.db2.gz JUFPXXOTRBRWBJ-QMMMGPOBSA-N 0 0 195.291 2.123 10 30 AEEERN C#CCNc1cc(F)cc(F)c1 52684700 343306703 /nfs/dbraw/zinc/30/67/03/343306703.db2.gz FBEBZJFTEOVEAL-UHFFFAOYSA-N 0 0 167.158 2.010 10 30 AEEERN N#CNc1ccc(C#N)c(Cl)c1 52832315 343308207 /nfs/dbraw/zinc/30/82/07/343308207.db2.gz HOBJRIPSVOPJON-UHFFFAOYSA-N 0 0 177.594 2.105 10 30 AEEERN Cc1ccn(-c2ccccc2C#N)n1 52884181 343311381 /nfs/dbraw/zinc/31/13/81/343311381.db2.gz TXZZUFPIBMTYCN-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN Cc1cccc(C#CCCO)c1C 53327682 343314181 /nfs/dbraw/zinc/31/41/81/343314181.db2.gz OVMGRJNHWFLRJE-UHFFFAOYSA-N 0 0 174.243 2.037 10 30 AEEERN CN(C)[C@@](C)(C#N)C1CCCC1 54082290 343318005 /nfs/dbraw/zinc/31/80/05/343318005.db2.gz XJARKXKNBFONII-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H](C#N)c1ccco1 54084980 343318021 /nfs/dbraw/zinc/31/80/21/343318021.db2.gz RTPNJYHECSZHCV-ZETCQYMHSA-N 0 0 135.166 2.297 10 30 AEEERN CN(C)[C@](C)(C#N)C1CCCC1 54082288 343318023 /nfs/dbraw/zinc/31/80/23/343318023.db2.gz XJARKXKNBFONII-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)N[C@](C)(C#N)C1CCCC1 54081677 343318035 /nfs/dbraw/zinc/31/80/35/343318035.db2.gz YCSSRKUWQRZIPK-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CNC1(C#N)CCC(C(C)C)CC1 54557241 343325950 /nfs/dbraw/zinc/32/59/50/343325950.db2.gz BWCOZLLLDXNTCH-UHFFFAOYSA-N 0 0 180.295 2.314 10 30 AEEERN COc1ccccc1C[C@@]1(C)CO1 55026805 343332660 /nfs/dbraw/zinc/33/26/60/343332660.db2.gz KKZGJLLLLMXGBA-NSHDSACASA-N 0 0 178.231 2.027 10 30 AEEERN Cc1cccc(CSCC=O)c1 54965960 343332696 /nfs/dbraw/zinc/33/26/96/343332696.db2.gz SBSMAJWZEHSZGO-UHFFFAOYSA-N 0 0 180.272 2.427 10 30 AEEERN Cc1ccsc1[C@H]1CO1 55027067 343332933 /nfs/dbraw/zinc/33/29/33/343332933.db2.gz JEOIDCAHAKTLCG-ZCFIWIBFSA-N 0 0 140.207 2.128 10 30 AEEERN COc1ccc2c(c1)CCC[C@@]21CO1 55026937 343332936 /nfs/dbraw/zinc/33/29/36/343332936.db2.gz WDHFBPTYYSRPIP-GFCCVEGCSA-N 0 0 190.242 2.257 10 30 AEEERN CC(C)CC[C@]1(C)CO1 55026923 343332948 /nfs/dbraw/zinc/33/29/48/343332948.db2.gz ZGTIKXQPNJWGLR-MRVPVSSYSA-N 0 0 128.215 2.212 10 30 AEEERN COc1ccc2c(c1)CCC[C@]21CO1 55026940 343332955 /nfs/dbraw/zinc/33/29/55/343332955.db2.gz WDHFBPTYYSRPIP-LBPRGKRZSA-N 0 0 190.242 2.257 10 30 AEEERN Cc1ccsc1[C@@H]1CO1 55027064 343332961 /nfs/dbraw/zinc/33/29/61/343332961.db2.gz JEOIDCAHAKTLCG-LURJTMIESA-N 0 0 140.207 2.128 10 30 AEEERN CC(C)c1ccc(C#N)c(O)c1 59788421 343347522 /nfs/dbraw/zinc/34/75/22/343347522.db2.gz HYHHIEDVCXUQTM-UHFFFAOYSA-N 0 0 161.204 2.387 10 30 AEEERN N#C[C@]1(Cl)CCCSC1 61590929 343358008 /nfs/dbraw/zinc/35/80/08/343358008.db2.gz JVSIIRNWBFJPEL-ZCFIWIBFSA-N 0 0 161.657 2.015 10 30 AEEERN C[C@@H](C#N)C(=O)C1(c2ccccc2)CC1 61618086 343358022 /nfs/dbraw/zinc/35/80/22/343358022.db2.gz USNOKCIRDZAHKC-JTQLQIEISA-N 0 0 199.253 2.447 10 30 AEEERN Cc1ccc(CCC=O)cc1C 60710511 343354280 /nfs/dbraw/zinc/35/42/80/343354280.db2.gz YBUXFZICSZNQTQ-UHFFFAOYSA-N 0 0 162.232 2.435 10 30 AEEERN CC(C)[C@@H](C)Nc1ccnc(C#N)c1 61811633 343363905 /nfs/dbraw/zinc/36/39/05/343363905.db2.gz LNRMXRSHZRBCJH-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN CC[C@@H](C)Oc1ccnc(C#N)c1 61815415 343363915 /nfs/dbraw/zinc/36/39/15/343363915.db2.gz ZYXWQYPJYBEDRH-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CC(C)(C)Oc1ccnc(C#N)c1 61815370 343363926 /nfs/dbraw/zinc/36/39/26/343363926.db2.gz MXGSQXSOJSEFNW-UHFFFAOYSA-N 0 0 176.219 2.131 10 30 AEEERN CC[C@H](C)N(C)c1ccnc(C#N)c1 61814938 343363928 /nfs/dbraw/zinc/36/39/28/343363928.db2.gz QSPVXLPELUXXSG-VIFPVBQESA-N 0 0 189.262 2.188 10 30 AEEERN CC1(C)C[C@H]1Nc1ccnc(C#N)c1 61812142 343363947 /nfs/dbraw/zinc/36/39/47/343363947.db2.gz JVBBTLLOPCYNQB-SNVBAGLBSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H](C)Oc1ccnc(C#N)c1 61815416 343363952 /nfs/dbraw/zinc/36/39/52/343363952.db2.gz ZYXWQYPJYBEDRH-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN O=C(C1=CCCC1)[C@@H]1CCCOC1 62229780 343372888 /nfs/dbraw/zinc/37/28/88/343372888.db2.gz OOHUYHFYGXYYRS-SNVBAGLBSA-N 0 0 180.247 2.092 10 30 AEEERN O=C(C1=CCCCC1)c1cn[nH]c1 62775716 343379788 /nfs/dbraw/zinc/37/97/88/343379788.db2.gz KILDRQHQEYKIQX-UHFFFAOYSA-N 0 0 176.219 2.093 10 30 AEEERN CC[C@H](C#N)N1CCCC1(C)C 63067158 343399561 /nfs/dbraw/zinc/39/95/61/343399561.db2.gz OEFIOZCQFPKUAS-SECBINFHSA-N 0 0 166.268 2.163 10 30 AEEERN C[C@@H](CC#N)N(C)c1ccccc1N 63086721 343401460 /nfs/dbraw/zinc/40/14/60/343401460.db2.gz LSCMOEDHGOENJX-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN C[C@@H]1CC[C@]2(CO2)[C@H](C)C1 68633823 343412213 /nfs/dbraw/zinc/41/22/13/343412213.db2.gz RWFZHDWMQIZFLB-HLTSFMKQSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CC[C@@]2(CO2)[C@H](C)C1 68633815 343412220 /nfs/dbraw/zinc/41/22/20/343412220.db2.gz RWFZHDWMQIZFLB-IWSPIJDZSA-N 0 0 140.226 2.212 10 30 AEEERN C#CCCn1cc(C)c(C)c1C 68944323 343415746 /nfs/dbraw/zinc/41/57/46/343415746.db2.gz SCBORQVKNGPCQI-UHFFFAOYSA-N 0 0 161.248 2.437 10 30 AEEERN C#CC(C)(C)N[C@@H]1CCCC[C@H]1C#N 69680890 343433310 /nfs/dbraw/zinc/43/33/10/343433310.db2.gz TWYCZSGXKYOAME-WDEREUQCSA-N 0 0 190.290 2.070 10 30 AEEERN C#CC(C)(C)n1c(C)cc(C=O)c1C 69681930 343433407 /nfs/dbraw/zinc/43/34/07/343433407.db2.gz RHIABQHWRFORJG-UHFFFAOYSA-N 0 0 189.258 2.286 10 30 AEEERN C#CC(C)(C)N[C@@H]1CCCC[C@@H]1C#N 69680882 343433441 /nfs/dbraw/zinc/43/34/41/343433441.db2.gz TWYCZSGXKYOAME-GHMZBOCLSA-N 0 0 190.290 2.070 10 30 AEEERN C=CCN1CCCc2cc(N)ccc21 69731340 343438394 /nfs/dbraw/zinc/43/83/94/343438394.db2.gz FJLVSVQWLOZWJG-UHFFFAOYSA-N 0 0 188.274 2.207 10 30 AEEERN O=C1C=CO[C@@H](Cc2ccccc2)C1 69850292 343447932 /nfs/dbraw/zinc/44/79/32/343447932.db2.gz DGXDLIUPABHAJU-LBPRGKRZSA-N 0 0 188.226 2.101 10 30 AEEERN CCC[C@H](C)[C@@H]1CC(=O)C=CO1 69850516 343447995 /nfs/dbraw/zinc/44/79/95/343447995.db2.gz LXRGXKWSRSVNLR-WPRPVWTQSA-N 0 0 168.236 2.294 10 30 AEEERN CCC(CC)[C@@H]1CC(=O)C=CO1 69850376 343447998 /nfs/dbraw/zinc/44/79/98/343447998.db2.gz VRBKKGKMIBTLIB-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN O=C1C=CO[C@H](c2cccs2)C1 69850364 343448002 /nfs/dbraw/zinc/44/80/02/343448002.db2.gz OMSWGVPPCBBVDG-QMMMGPOBSA-N 0 0 180.228 2.292 10 30 AEEERN CCC[C@@H](C)[C@@H]1CC(=O)C=CO1 69850515 343448006 /nfs/dbraw/zinc/44/80/06/343448006.db2.gz LXRGXKWSRSVNLR-SCZZXKLOSA-N 0 0 168.236 2.294 10 30 AEEERN CCCC[C@H]1CC(=O)C=CO1 69850493 343448009 /nfs/dbraw/zinc/44/80/09/343448009.db2.gz JXBCBVFEKPPODV-VIFPVBQESA-N 0 0 154.209 2.048 10 30 AEEERN O=C1C=CO[C@@H](C2CCCC2)C1 69850370 343448016 /nfs/dbraw/zinc/44/80/16/343448016.db2.gz VRLCUAPLPDYOHA-SNVBAGLBSA-N 0 0 166.220 2.048 10 30 AEEERN O=C1C=CO[C@@H](c2cccc(F)c2)C1 69850498 343448021 /nfs/dbraw/zinc/44/80/21/343448021.db2.gz JXLLWLHYGUACLB-LLVKDONJSA-N 0 0 192.189 2.370 10 30 AEEERN Cc1ccc([C@H]2CC(=O)C=CO2)o1 69850453 343448023 /nfs/dbraw/zinc/44/80/23/343448023.db2.gz KEKKBKGMEHVOOX-SNVBAGLBSA-N 0 0 178.187 2.132 10 30 AEEERN O=C1C=CO[C@H](c2cccc(F)c2)C1 69850497 343448024 /nfs/dbraw/zinc/44/80/24/343448024.db2.gz JXLLWLHYGUACLB-NSHDSACASA-N 0 0 192.189 2.370 10 30 AEEERN CC(C)(C)C[C@H]1CC(=O)C=CO1 69850475 343448027 /nfs/dbraw/zinc/44/80/27/343448027.db2.gz ZLKNRRFPGOLTRJ-SECBINFHSA-N 0 0 168.236 2.294 10 30 AEEERN Cc1ccc([C@@H]2CC(=O)C=CO2)o1 69850452 343448032 /nfs/dbraw/zinc/44/80/32/343448032.db2.gz KEKKBKGMEHVOOX-JTQLQIEISA-N 0 0 178.187 2.132 10 30 AEEERN O=C1C=CO[C@H](C2CCCC2)C1 69850369 343448039 /nfs/dbraw/zinc/44/80/39/343448039.db2.gz VRLCUAPLPDYOHA-JTQLQIEISA-N 0 0 166.220 2.048 10 30 AEEERN O=C1C=CO[C@@H](c2cccs2)C1 69850365 343448043 /nfs/dbraw/zinc/44/80/43/343448043.db2.gz OMSWGVPPCBBVDG-MRVPVSSYSA-N 0 0 180.228 2.292 10 30 AEEERN O=C1C=CO[C@@H](c2ccsc2)C1 69850327 343448044 /nfs/dbraw/zinc/44/80/44/343448044.db2.gz RTIONQPOURENRM-SECBINFHSA-N 0 0 180.228 2.292 10 30 AEEERN O=C1C=CO[C@H](c2ccsc2)C1 69850326 343448046 /nfs/dbraw/zinc/44/80/46/343448046.db2.gz RTIONQPOURENRM-VIFPVBQESA-N 0 0 180.228 2.292 10 30 AEEERN CCC[C@@H](C)[C@H]1CC(=O)C=CO1 69850518 343448051 /nfs/dbraw/zinc/44/80/51/343448051.db2.gz LXRGXKWSRSVNLR-PSASIEDQSA-N 0 0 168.236 2.294 10 30 AEEERN CCc1ccc([C@@H]2CC(=O)C=CO2)o1 69850509 343448053 /nfs/dbraw/zinc/44/80/53/343448053.db2.gz XCRBNLNXKORFPV-NSHDSACASA-N 0 0 192.214 2.386 10 30 AEEERN CCC[C@H](C)[C@H]1CC(=O)C=CO1 69850519 343448060 /nfs/dbraw/zinc/44/80/60/343448060.db2.gz LXRGXKWSRSVNLR-WCBMZHEXSA-N 0 0 168.236 2.294 10 30 AEEERN CCc1ccc([C@H]2CC(=O)C=CO2)o1 69850510 343448067 /nfs/dbraw/zinc/44/80/67/343448067.db2.gz XCRBNLNXKORFPV-LLVKDONJSA-N 0 0 192.214 2.386 10 30 AEEERN CC(C)(C)C[C@@H]1CC(=O)C=CO1 69850474 343448070 /nfs/dbraw/zinc/44/80/70/343448070.db2.gz ZLKNRRFPGOLTRJ-VIFPVBQESA-N 0 0 168.236 2.294 10 30 AEEERN N#Cc1ccc([C@H]2CC(=O)C=CO2)cc1 69850333 343448072 /nfs/dbraw/zinc/44/80/72/343448072.db2.gz OVSJNZNMIMTAQR-GFCCVEGCSA-N 0 0 199.209 2.102 10 30 AEEERN C[C@]1(Cc2ccco2)CC(=O)C=CO1 69852253 343449132 /nfs/dbraw/zinc/44/91/32/343449132.db2.gz XVLJWNJVTHLRFM-LLVKDONJSA-N 0 0 192.214 2.084 10 30 AEEERN C[C@H]1CCC[C@@]2(CC(=O)C=CO2)C1 69852489 343449133 /nfs/dbraw/zinc/44/91/33/343449133.db2.gz BUVNCYIGGVBRLM-ONGXEEELSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@@H]1CCCC[C@@]12CC(=O)C=CO2 69852476 343449134 /nfs/dbraw/zinc/44/91/34/343449134.db2.gz VMSAQAVZXSLITR-MWLCHTKSSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@]1(C(C)C)CC(=O)C=CO1 69852377 343449135 /nfs/dbraw/zinc/44/91/35/343449135.db2.gz TZMCFORXHMBYMH-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN CC[C@@]1(C(C)C)CC(=O)C=CO1 69852379 343449145 /nfs/dbraw/zinc/44/91/45/343449145.db2.gz TZMCFORXHMBYMH-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN CC(C)C[C@]1(C)CC(=O)C=CO1 69852316 343449146 /nfs/dbraw/zinc/44/91/46/343449146.db2.gz LBOHAIYMBKXESZ-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@]1(C2CCCC2)CC(=O)C=CO1 69852232 343449151 /nfs/dbraw/zinc/44/91/51/343449151.db2.gz YVKOUSORXFABQK-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@]1(c2cccs2)CC(=O)C=CO1 69852355 343449152 /nfs/dbraw/zinc/44/91/52/343449152.db2.gz KMLXCFXRUKUNDL-SNVBAGLBSA-N 0 0 194.255 2.466 10 30 AEEERN CCC[C@]1(C)CC(=O)C=CO1 69852382 343449156 /nfs/dbraw/zinc/44/91/56/343449156.db2.gz UZRJFOGOXPDJJH-SECBINFHSA-N 0 0 154.209 2.048 10 30 AEEERN C[C@]1(c2ccccc2)CC(=O)C=CO1 69852455 343449158 /nfs/dbraw/zinc/44/91/58/343449158.db2.gz PTBZHEZVUHIDLX-GFCCVEGCSA-N 0 0 188.226 2.405 10 30 AEEERN C[C@@H]1CCC[C@@]2(CC(=O)C=CO2)C1 69852488 343449160 /nfs/dbraw/zinc/44/91/60/343449160.db2.gz BUVNCYIGGVBRLM-KOLCDFICSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@H](C)[C@@]1(C)CC(=O)C=CO1 69852443 343449161 /nfs/dbraw/zinc/44/91/61/343449161.db2.gz SMOYZYCIOPKKLB-WCBMZHEXSA-N 0 0 168.236 2.294 10 30 AEEERN CC1CCC2(CC1)CC(=O)C=CO2 69852400 343449162 /nfs/dbraw/zinc/44/91/62/343449162.db2.gz XSQOQHHKUBKTLR-UHFFFAOYSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@H](C)[C@]1(C)CC(=O)C=CO1 69852438 343449164 /nfs/dbraw/zinc/44/91/64/343449164.db2.gz SMOYZYCIOPKKLB-WPRPVWTQSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@@]1(c2ccccc2)CC(=O)C=CO1 69852456 343449172 /nfs/dbraw/zinc/44/91/72/343449172.db2.gz PTBZHEZVUHIDLX-LBPRGKRZSA-N 0 0 188.226 2.405 10 30 AEEERN C[C@@H]1CCCC[C@]12CC(=O)C=CO2 69852482 343449174 /nfs/dbraw/zinc/44/91/74/343449174.db2.gz VMSAQAVZXSLITR-KOLCDFICSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@@H](C)[C@]1(C)CC(=O)C=CO1 69852436 343449175 /nfs/dbraw/zinc/44/91/75/343449175.db2.gz SMOYZYCIOPKKLB-SCZZXKLOSA-N 0 0 168.236 2.294 10 30 AEEERN CC(C)C[C@@]1(C)CC(=O)C=CO1 69852317 343449179 /nfs/dbraw/zinc/44/91/79/343449179.db2.gz LBOHAIYMBKXESZ-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN C[C@@]1(C2CCCC2)CC(=O)C=CO1 69852234 343449180 /nfs/dbraw/zinc/44/91/80/343449180.db2.gz YVKOUSORXFABQK-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN C[C@@]1(c2ccsc2)CC(=O)C=CO1 69852257 343449181 /nfs/dbraw/zinc/44/91/81/343449181.db2.gz GJSCMOSDBRYJNZ-JTQLQIEISA-N 0 0 194.255 2.466 10 30 AEEERN C[C@@H]1CCC[C@]2(CC(=O)C=CO2)C1 69852486 343449189 /nfs/dbraw/zinc/44/91/89/343449189.db2.gz BUVNCYIGGVBRLM-MWLCHTKSSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@]1(c2ccsc2)CC(=O)C=CO1 69852255 343449194 /nfs/dbraw/zinc/44/91/94/343449194.db2.gz GJSCMOSDBRYJNZ-SNVBAGLBSA-N 0 0 194.255 2.466 10 30 AEEERN CC[C@@H](C)[C@@]1(C)CC(=O)C=CO1 69852441 343449196 /nfs/dbraw/zinc/44/91/96/343449196.db2.gz SMOYZYCIOPKKLB-PSASIEDQSA-N 0 0 168.236 2.294 10 30 AEEERN C[C@H]1CCC[C@]2(CC(=O)C=CO2)C1 69852487 343449197 /nfs/dbraw/zinc/44/91/97/343449197.db2.gz BUVNCYIGGVBRLM-GXSJLCMTSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@H]1CCCC[C@@]12CC(=O)C=CO2 69852479 343449202 /nfs/dbraw/zinc/44/92/02/343449202.db2.gz VMSAQAVZXSLITR-GXSJLCMTSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@@]1(Cc2ccco2)CC(=O)C=CO1 69852254 343449203 /nfs/dbraw/zinc/44/92/03/343449203.db2.gz XVLJWNJVTHLRFM-NSHDSACASA-N 0 0 192.214 2.084 10 30 AEEERN C[C@H]1CCCC[C@]12CC(=O)C=CO2 69852484 343449209 /nfs/dbraw/zinc/44/92/09/343449209.db2.gz VMSAQAVZXSLITR-ONGXEEELSA-N 0 0 180.247 2.438 10 30 AEEERN CCC[C@@]1(C)CC(=O)C=CO1 69852384 343449210 /nfs/dbraw/zinc/44/92/10/343449210.db2.gz UZRJFOGOXPDJJH-VIFPVBQESA-N 0 0 154.209 2.048 10 30 AEEERN C[C@@]1(c2cccs2)CC(=O)C=CO1 69852356 343449212 /nfs/dbraw/zinc/44/92/12/343449212.db2.gz KMLXCFXRUKUNDL-JTQLQIEISA-N 0 0 194.255 2.466 10 30 AEEERN CCC[C@H]1C[C@](Cl)(C#N)CCO1 69898584 343454329 /nfs/dbraw/zinc/45/43/29/343454329.db2.gz SLACCBHONYEKNI-IUCAKERBSA-N 0 0 187.670 2.467 10 30 AEEERN CCC[C@H]1C[C@@](Cl)(C#N)CCO1 69898590 343454332 /nfs/dbraw/zinc/45/43/32/343454332.db2.gz SLACCBHONYEKNI-DTWKUNHWSA-N 0 0 187.670 2.467 10 30 AEEERN CC[C@H]1C[C@](Cl)(C#N)CCO1 69898634 343454372 /nfs/dbraw/zinc/45/43/72/343454372.db2.gz JUWGUSRGKAGEJZ-YUMQZZPRSA-N 0 0 173.643 2.077 10 30 AEEERN Fc1cccc([C@H]2CO2)c1F 69900810 343454762 /nfs/dbraw/zinc/45/47/62/343454762.db2.gz GRAXVKDNMBJFDL-SSDOTTSWSA-N 0 0 156.131 2.036 10 30 AEEERN C#CCCNc1ccc([N+](=O)[O-])cc1 70246635 343485496 /nfs/dbraw/zinc/48/54/96/343485496.db2.gz GBEPXVIMDBPBMI-UHFFFAOYSA-N 0 0 190.202 2.030 10 30 AEEERN CC[C@@H]1CCC[C@@H](OCC#N)C1 70564460 343492397 /nfs/dbraw/zinc/49/23/97/343492397.db2.gz BTDLTLCXNBIJJK-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@@H]1CCC[C@@]2(CO2)C1 70563910 343492407 /nfs/dbraw/zinc/49/24/07/343492407.db2.gz AEFGEGDEDLFQRX-BDAKNGLRSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)(N(C)C)C1 70563676 343492410 /nfs/dbraw/zinc/49/24/10/343492410.db2.gz VYFPQUOBLUMTCB-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H]1CCC[C@](C#N)(N(C)C)C1 70563677 343492428 /nfs/dbraw/zinc/49/24/28/343492428.db2.gz VYFPQUOBLUMTCB-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H]1CCC[C@H](OCC#N)C1 70564458 343492448 /nfs/dbraw/zinc/49/24/48/343492448.db2.gz BTDLTLCXNBIJJK-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN C=CCC[C@@H](O)c1ccco1 70593884 343499420 /nfs/dbraw/zinc/49/94/20/343499420.db2.gz UDJYVJWCIAORAU-MRVPVSSYSA-N 0 0 152.193 2.279 10 30 AEEERN Cc1cccc2c1ccn2C[C@@H]1CO1 70453491 343487858 /nfs/dbraw/zinc/48/78/58/343487858.db2.gz SCDKZNVIUVIGLE-SNVBAGLBSA-N 0 0 187.242 2.349 10 30 AEEERN CCN[C@@]1(C#N)CCCC(C)(C)C1 70629099 343508681 /nfs/dbraw/zinc/50/86/81/343508681.db2.gz ZRDDDBCVFVXLEA-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@]1(C#N)CCCC(C)(C)C1 70629098 343508714 /nfs/dbraw/zinc/50/87/14/343508714.db2.gz ZRDDDBCVFVXLEA-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN C=CCNc1nc2ccccc2n1C 70609118 343501919 /nfs/dbraw/zinc/50/19/19/343501919.db2.gz FMRBMEYMQPWPTD-UHFFFAOYSA-N 0 0 187.246 2.171 10 30 AEEERN C[C@@](N)(C#N)c1ccc(F)cc1Cl 70602601 343501973 /nfs/dbraw/zinc/50/19/73/343501973.db2.gz IQZCKOSGXJVBHG-SECBINFHSA-N 0 0 198.628 2.177 10 30 AEEERN C[C@H]1CC[C@@](C#N)(NCC2CC2)C1 70644699 343516205 /nfs/dbraw/zinc/51/62/05/343516205.db2.gz JZXRPGCABDVRHP-GXSJLCMTSA-N 0 0 178.279 2.068 10 30 AEEERN C[C@@H]1CC[C@](C#N)(NCC2CC2)C1 70644700 343516233 /nfs/dbraw/zinc/51/62/33/343516233.db2.gz JZXRPGCABDVRHP-KOLCDFICSA-N 0 0 178.279 2.068 10 30 AEEERN C[C@H]1CC[C@](C#N)(NCC2CC2)C1 70644701 343516253 /nfs/dbraw/zinc/51/62/53/343516253.db2.gz JZXRPGCABDVRHP-ONGXEEELSA-N 0 0 178.279 2.068 10 30 AEEERN N#C[C@H]1CCCN1CC1CCCC1 70662338 343521853 /nfs/dbraw/zinc/52/18/53/343521853.db2.gz SRRFYGGMDVRUCC-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN C#CC[C@@H]1CCCCC(=O)C1 70740168 343528045 /nfs/dbraw/zinc/52/80/45/343528045.db2.gz FSNDSHHYSSUTLK-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN Cc1ccn([C@@H]2CCCC[C@@H]2C#N)n1 70685323 343524666 /nfs/dbraw/zinc/52/46/66/343524666.db2.gz YWMSCVKAVQJGQC-GHMZBOCLSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1cc2ccccc2n1CC#N 75559754 343577962 /nfs/dbraw/zinc/57/79/62/343577962.db2.gz UUIFDDXOIFYWIX-UHFFFAOYSA-N 0 0 170.215 2.473 10 30 AEEERN C#C[C@](C)(O)c1ccccc1Cl 84877226 343638034 /nfs/dbraw/zinc/63/80/34/343638034.db2.gz WOIUHPPQICFTSQ-JTQLQIEISA-N 0 0 180.634 2.181 10 30 AEEERN O=CC1(c2ccc(F)cc2)CCC1 84333951 343634674 /nfs/dbraw/zinc/63/46/74/343634674.db2.gz UMFVFVDYPKOFIL-UHFFFAOYSA-N 0 0 178.206 2.446 10 30 AEEERN O=CC1(c2ccccc2F)CCC1 84333953 343634678 /nfs/dbraw/zinc/63/46/78/343634678.db2.gz LNVBFDPVPQYCGZ-UHFFFAOYSA-N 0 0 178.206 2.446 10 30 AEEERN O=CC1(c2cccc(F)c2)CCC1 84333949 343634688 /nfs/dbraw/zinc/63/46/88/343634688.db2.gz RGVXRBXAYQGXBW-UHFFFAOYSA-N 0 0 178.206 2.446 10 30 AEEERN CC1CN(c2cccc(F)c2C#N)C1 86681120 343653841 /nfs/dbraw/zinc/65/38/41/343653841.db2.gz NPNYNBXQKBVBFZ-UHFFFAOYSA-N 0 0 190.221 2.153 10 30 AEEERN CC1(C(=O)CC#N)CCCC1 87316757 343659902 /nfs/dbraw/zinc/65/99/02/343659902.db2.gz GBRPGLFMIOLSKQ-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN N#Cc1nccn1CC1CCCCC1 87343077 343660327 /nfs/dbraw/zinc/66/03/27/343660327.db2.gz YWRONHHJDQCLGV-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN CCc1ccc2[nH]nc(CC#N)c2c1 89195877 343672355 /nfs/dbraw/zinc/67/23/55/343672355.db2.gz USGKDTGGUNIUOJ-UHFFFAOYSA-N 0 0 185.230 2.191 10 30 AEEERN CC(C)[C@H](O)C#Cc1ccc(F)cc1 95632501 343684952 /nfs/dbraw/zinc/68/49/52/343684952.db2.gz GKCQBNOFJRFDBT-GFCCVEGCSA-N 0 0 192.233 2.194 10 30 AEEERN Cc1cccc(CCC=O)c1F 95699046 343685495 /nfs/dbraw/zinc/68/54/95/343685495.db2.gz HDHAHHYSKQTVOF-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN C=C[C@@H]1C=CCC1 96328747 343696908 /nfs/dbraw/zinc/69/69/08/343696908.db2.gz WBRNPACSUWTMKL-SSDOTTSWSA-N 0 0 94.157 2.139 10 30 AEEERN C=C/C=C/C(=C)C 96336197 343696913 /nfs/dbraw/zinc/69/69/13/343696913.db2.gz PPWGXYXJMQAWSX-AATRIKPKSA-N 0 0 94.157 2.305 10 30 AEEERN CCc1ccc(/C=N\O)cc1 100161050 343712110 /nfs/dbraw/zinc/71/21/10/343712110.db2.gz DCBIVYBFOCPTQI-YFHOEESVSA-N 0 0 149.193 2.057 10 30 AEEERN CC[C@H](C=O)c1ccc(O)c(OC)c1 107182815 343747444 /nfs/dbraw/zinc/74/74/44/343747444.db2.gz MREREEWFAZGGMT-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN CC(C)C#Cc1cnc(Cl)cc1N 115934629 343767903 /nfs/dbraw/zinc/76/79/03/343767903.db2.gz TYGOOLKKBFSDHV-UHFFFAOYSA-N 0 0 194.665 2.325 10 30 AEEERN Nc1ccc(C#Cc2ccccc2)cn1 116748659 343771044 /nfs/dbraw/zinc/77/10/44/343771044.db2.gz WMWXOFRBVHBCMB-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN CCC#C[C@H](C)CC 111346346 343754197 /nfs/dbraw/zinc/75/41/97/343754197.db2.gz UCTGGLKZKKZBNO-MRVPVSSYSA-N 0 0 110.200 2.446 10 30 AEEERN CCC#C[C@@H](C)CC 111346344 343754207 /nfs/dbraw/zinc/75/42/07/343754207.db2.gz UCTGGLKZKKZBNO-QMMMGPOBSA-N 0 0 110.200 2.446 10 30 AEEERN C=CC(C=C)C=C 111337586 343754220 /nfs/dbraw/zinc/75/42/20/343754220.db2.gz HEKRPWJODWSOQV-UHFFFAOYSA-N 0 0 94.157 2.161 10 30 AEEERN C(=N/c1ncc[nH]1)\c1ccccc1 117294894 343772889 /nfs/dbraw/zinc/77/28/89/343772889.db2.gz FEWTWEVBJYHALA-MDWZMJQESA-N 0 0 171.203 2.160 10 30 AEEERN C=CCCCn1cnc(C)c1C 124347547 343786356 /nfs/dbraw/zinc/78/63/56/343786356.db2.gz BBSRGVFVJPJDGW-UHFFFAOYSA-N 0 0 164.252 2.466 10 30 AEEERN C=CCCCN(C)C(=O)N(CC)CC 125106768 343788884 /nfs/dbraw/zinc/78/88/84/343788884.db2.gz YULILDYKEGSSOV-UHFFFAOYSA-N 0 0 198.310 2.346 10 30 AEEERN CC(C)=CC(=O)c1cncs1 127068851 343803770 /nfs/dbraw/zinc/80/37/70/343803770.db2.gz TYHVLUWTZBFVMP-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN C=CC[C@H](C)Nc1ccnc(C)n1 127195407 343806823 /nfs/dbraw/zinc/80/68/23/343806823.db2.gz ABDOPBHFVBBJFD-QMMMGPOBSA-N 0 0 177.251 2.162 10 30 AEEERN C#CC[C@@H](CC)Nc1nc(C)ns1 127217531 343807344 /nfs/dbraw/zinc/80/73/44/343807344.db2.gz OYTRBKNWNCUTJJ-MRVPVSSYSA-N 0 0 195.291 2.060 10 30 AEEERN C=CC[C@@H](O)c1cccc2c1NCC2 127203595 343807387 /nfs/dbraw/zinc/80/73/87/343807387.db2.gz CCZBWGYIBHEXRL-LLVKDONJSA-N 0 0 189.258 2.264 10 30 AEEERN CC(C)=CC(=O)C[C@@H]1CCCCO1 128020729 343823805 /nfs/dbraw/zinc/82/38/05/343823805.db2.gz YUGPWJSGSWPQSQ-NSHDSACASA-N 0 0 182.263 2.481 10 30 AEEERN CC(C)=CC(=O)C[C@H]1CCCCO1 128020937 343823811 /nfs/dbraw/zinc/82/38/11/343823811.db2.gz YUGPWJSGSWPQSQ-LLVKDONJSA-N 0 0 182.263 2.481 10 30 AEEERN N#C[C@]1(C2=CCCCC2)C[C@@H]1CO 128113102 343824806 /nfs/dbraw/zinc/82/48/06/343824806.db2.gz QJJLMNPNHZSXSJ-MNOVXSKESA-N 0 0 177.247 2.009 10 30 AEEERN N#C[C@@]1(C2=CCCCC2)C[C@@H]1CO 128112908 343824820 /nfs/dbraw/zinc/82/48/20/343824820.db2.gz QJJLMNPNHZSXSJ-GHMZBOCLSA-N 0 0 177.247 2.009 10 30 AEEERN N#CC1(C2=CCCCC2)CC(=O)C1 128119544 343825342 /nfs/dbraw/zinc/82/53/42/343825342.db2.gz PLHNEJLZIAJLGF-UHFFFAOYSA-N 0 0 175.231 2.360 10 30 AEEERN N#C[C@@]1(C2=CCCCC2)C[C@H]1CO 128113294 343825382 /nfs/dbraw/zinc/82/53/82/343825382.db2.gz QJJLMNPNHZSXSJ-WDEREUQCSA-N 0 0 177.247 2.009 10 30 AEEERN C=CC[C@H](O)[C@@H]1CCc2cccnc21 128317456 343828885 /nfs/dbraw/zinc/82/88/85/343828885.db2.gz GANLQZSSBLMOPR-QWRGUYRKSA-N 0 0 189.258 2.048 10 30 AEEERN C=CC[C@@H](O)[C@H]1CCc2cccnc21 128318120 343828889 /nfs/dbraw/zinc/82/88/89/343828889.db2.gz GANLQZSSBLMOPR-GHMZBOCLSA-N 0 0 189.258 2.048 10 30 AEEERN C=CC[C@@H](O)[C@@H]1CCc2cccnc21 128317712 343828956 /nfs/dbraw/zinc/82/89/56/343828956.db2.gz GANLQZSSBLMOPR-WDEREUQCSA-N 0 0 189.258 2.048 10 30 AEEERN C[C@H](Nc1cccnc1C#N)C1CC1 129875671 343858321 /nfs/dbraw/zinc/85/83/21/343858321.db2.gz ZADHGNBCTNQGRB-QMMMGPOBSA-N 0 0 187.246 2.164 10 30 AEEERN CC1(C)C[C@H]1Nc1cccnc1C#N 129968207 343859367 /nfs/dbraw/zinc/85/93/67/343859367.db2.gz MUXLGKACEYRMSI-SNVBAGLBSA-N 0 0 187.246 2.164 10 30 AEEERN CS[C@@H](C#N)C1CCCC1 129589648 343853782 /nfs/dbraw/zinc/85/37/82/343853782.db2.gz FIEQXFILUKWOJG-QMMMGPOBSA-N 0 0 155.266 2.432 10 30 AEEERN C[C@H]1CC[C@H](NC2=CC(=O)CC2)C1 129664736 343854695 /nfs/dbraw/zinc/85/46/95/343854695.db2.gz FWOBABHOBSKAJH-IUCAKERBSA-N 0 0 179.263 2.011 10 30 AEEERN C[C@@H]1CC[C@@H](NC2=CC(=O)CC2)C1 129664933 343854767 /nfs/dbraw/zinc/85/47/67/343854767.db2.gz FWOBABHOBSKAJH-RKDXNWHRSA-N 0 0 179.263 2.011 10 30 AEEERN C#C[C@H](NC)c1c(F)cccc1Cl 130299543 343866339 /nfs/dbraw/zinc/86/63/39/343866339.db2.gz CQUOUYHRRJWFRS-VIFPVBQESA-N 0 0 197.640 2.373 10 30 AEEERN C#C[C@@H](NC)c1c(F)cccc1Cl 130299758 343866383 /nfs/dbraw/zinc/86/63/83/343866383.db2.gz CQUOUYHRRJWFRS-SECBINFHSA-N 0 0 197.640 2.373 10 30 AEEERN C#C[C@H]([NH3+])c1cc(C)cc(Cl)c1 130324707 343867106 /nfs/dbraw/zinc/86/71/06/343867106.db2.gz ULYVGPADSKGTLN-JTQLQIEISA-N 0 0 179.650 2.281 10 30 AEEERN N#Cc1cccc(NC2CCC2)c1N 130977043 343878335 /nfs/dbraw/zinc/87/83/35/343878335.db2.gz UHOWLRAKZABRJW-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN CCOc1cc(Cl)cc(C#N)c1N 131875747 343890433 /nfs/dbraw/zinc/89/04/33/343890433.db2.gz KRVOOBOYZCVUNK-UHFFFAOYSA-N 0 0 196.637 2.193 10 30 AEEERN Cc1ccc(C#N)c(N)c1Cl 131871848 343890463 /nfs/dbraw/zinc/89/04/63/343890463.db2.gz KAZXWPDINIKXOK-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN C[C@H](C#N)Nc1ccc(F)cc1C#N 131902388 343890866 /nfs/dbraw/zinc/89/08/66/343890866.db2.gz RPECXENMZFCRJL-SSDOTTSWSA-N 0 0 189.193 2.021 10 30 AEEERN CCc1cc(CC)n([C@@H](C)C#N)n1 132491584 343898733 /nfs/dbraw/zinc/89/87/33/343898733.db2.gz OSJACBCEHWGOGJ-QMMMGPOBSA-N 0 0 177.251 2.092 10 30 AEEERN C#CC(C)(C)CNC(=O)OC(C)(C)C 95774744 166012727 /nfs/dbraw/zinc/01/27/27/166012727.db2.gz PESPDNXKRKEILP-UHFFFAOYSA-N 0 0 197.278 2.171 10 30 AEEERN C#CC(=O)c1ccccc1SC 38324982 166012765 /nfs/dbraw/zinc/01/27/65/166012765.db2.gz LKTTYISUJLMZGU-UHFFFAOYSA-N 0 0 176.240 2.224 10 30 AEEERN C#CCCC#Cc1ccccc1 80821711 166013385 /nfs/dbraw/zinc/01/33/85/166013385.db2.gz VAMBVMMFRGBSCD-UHFFFAOYSA-N 0 0 154.212 2.452 10 30 AEEERN C#CCCC(C)(C)C 2579247 166013601 /nfs/dbraw/zinc/01/36/01/166013601.db2.gz POTVXOWIFWCTAN-UHFFFAOYSA-N 0 0 110.200 2.446 10 30 AEEERN C#CC1([Si](C)(C)C)CC1 238520153 166013740 /nfs/dbraw/zinc/01/37/40/166013740.db2.gz CGRGSXYKMHEPRV-UHFFFAOYSA-N 0 0 138.286 2.492 10 30 AEEERN C#CCCC(=O)Nc1ccccc1F 75421226 166014014 /nfs/dbraw/zinc/01/40/14/166014014.db2.gz KWJAGKMNCVFNGG-UHFFFAOYSA-N 0 0 191.205 2.178 10 30 AEEERN C#CC1(OCC=C)CCCC1 39049879 166014022 /nfs/dbraw/zinc/01/40/22/166014022.db2.gz SWDPBHKBXINEIZ-UHFFFAOYSA-N 0 0 150.221 2.135 10 30 AEEERN C#CCCC(=O)Nc1ccc(F)cc1 75421219 166014085 /nfs/dbraw/zinc/01/40/85/166014085.db2.gz WPNJUHMNHCMSMH-UHFFFAOYSA-N 0 0 191.205 2.178 10 30 AEEERN C#CCC(=O)Cc1ccc(C)cc1 51752700 166014232 /nfs/dbraw/zinc/01/42/32/166014232.db2.gz IRJFZOYQGIOLHG-UHFFFAOYSA-N 0 0 172.227 2.130 10 30 AEEERN C#CCCC1(O)CCCCC1 39059193 166014310 /nfs/dbraw/zinc/01/43/10/166014310.db2.gz ULQNCIZAYNUMRB-UHFFFAOYSA-N 0 0 152.237 2.095 10 30 AEEERN C#CCC(=O)c1ccc(CC)cc1 51074318 166014415 /nfs/dbraw/zinc/01/44/15/166014415.db2.gz BQBLGCZIPMZDJZ-UHFFFAOYSA-N 0 0 172.227 2.455 10 30 AEEERN C#CCCC(=O)Nc1ccccc1 34144299 166014589 /nfs/dbraw/zinc/01/45/89/166014589.db2.gz USXJYUSGNNBGSC-UHFFFAOYSA-N 0 0 173.215 2.039 10 30 AEEERN C#CCC(=O)c1cc(F)c(F)c(F)c1 51074357 166014593 /nfs/dbraw/zinc/01/45/93/166014593.db2.gz GKIBVKAIRJNYKG-UHFFFAOYSA-N 0 0 198.143 2.310 10 30 AEEERN C#CC1=CCc2ccccc21 59247124 166014620 /nfs/dbraw/zinc/01/46/20/166014620.db2.gz PSJZOIFKHGUKGO-UHFFFAOYSA-N 0 0 140.185 2.259 10 30 AEEERN C#CC1=C(OCC)CCCC1 39049872 166014711 /nfs/dbraw/zinc/01/47/11/166014711.db2.gz KILNBDQNAMTWAE-UHFFFAOYSA-N 0 0 150.221 2.484 10 30 AEEERN C#CCCC(=O)Nc1cccc(C)c1 75421229 166014743 /nfs/dbraw/zinc/01/47/43/166014743.db2.gz UUGJJGHHDGLAGL-UHFFFAOYSA-N 0 0 187.242 2.347 10 30 AEEERN C#CCC(=O)[C@@H]1CCC[C@H](C)C1 51074368 166014759 /nfs/dbraw/zinc/01/47/59/166014759.db2.gz VZGKENPVYVDFGT-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCCC(=O)Nc1ccc(C)cc1 75421214 166014795 /nfs/dbraw/zinc/01/47/95/166014795.db2.gz NLYWEJVDPACMOP-UHFFFAOYSA-N 0 0 187.242 2.347 10 30 AEEERN C#CC1(OCCC#N)CCCCC1 5620433 166015228 /nfs/dbraw/zinc/01/52/28/166015228.db2.gz UXXRSXKBUVTRBV-UHFFFAOYSA-N 0 0 177.247 2.253 10 30 AEEERN C#CCC(=O)[C@H]1CCC[C@@H](C)C1 51074365 166015248 /nfs/dbraw/zinc/01/52/48/166015248.db2.gz VZGKENPVYVDFGT-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN C#CC(C)(C)Oc1ccccc1C#N 39426542 166015260 /nfs/dbraw/zinc/01/52/60/166015260.db2.gz AUXRRAYKRDVAEH-UHFFFAOYSA-N 0 0 185.226 2.349 10 30 AEEERN C#CCC(=O)c1cccc(F)c1 51074304 166015279 /nfs/dbraw/zinc/01/52/79/166015279.db2.gz UJMNIIWFIRHSDV-UHFFFAOYSA-N 0 0 162.163 2.032 10 30 AEEERN C#CCCC(=O)C1CCCC1 39111450 166015328 /nfs/dbraw/zinc/01/53/28/166015328.db2.gz OXIFWQMNPJADBJ-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C#CC1(C(C)=O)CCCCC1 39069706 166015361 /nfs/dbraw/zinc/01/53/61/166015361.db2.gz HJXHZHLQIZTPDD-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C#CC1CCC(C(C)=O)CC1 39049811 166015379 /nfs/dbraw/zinc/01/53/79/166015379.db2.gz LJMJVQQGVPHFMO-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC1(OC(=O)NC=C)CCCCC1 39091172 166015439 /nfs/dbraw/zinc/01/54/39/166015439.db2.gz WHTMMLXHWAWIBF-UHFFFAOYSA-N 0 0 193.246 2.192 10 30 AEEERN C#CCCC(=O)Nc1ccccc1C 75421241 166015561 /nfs/dbraw/zinc/01/55/61/166015561.db2.gz ACHVIBYSJAKTJA-UHFFFAOYSA-N 0 0 187.242 2.347 10 30 AEEERN C#CCC(C)(C)CC(C)=O 62715365 166015643 /nfs/dbraw/zinc/01/56/43/166015643.db2.gz PXIVGHUHGWWZJQ-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN C#CCC(=O)CCOc1ccccc1 51074298 166015669 /nfs/dbraw/zinc/01/56/69/166015669.db2.gz ACWNTGBJKWFOIC-UHFFFAOYSA-N 0 0 188.226 2.048 10 30 AEEERN C#CCCCC1=CC(=O)CCC1 34060596 166015975 /nfs/dbraw/zinc/01/59/75/166015975.db2.gz XZWLMPIGPQORMG-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN C#CCCCC(=O)N(C)CCCC 15785116 166016036 /nfs/dbraw/zinc/01/60/36/166016036.db2.gz CZPLKGSPCNSDKQ-UHFFFAOYSA-N 0 0 181.279 2.048 10 30 AEEERN C#CCCCCCF 2040766 166016167 /nfs/dbraw/zinc/01/61/67/166016167.db2.gz RIUFVBVJZNDZOJ-UHFFFAOYSA-N 0 0 114.163 2.150 10 30 AEEERN C#CCCCC1=CC(=O)CC1 34075514 166016182 /nfs/dbraw/zinc/01/61/82/166016182.db2.gz IMMHHTXQCRKDTQ-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN C#CCCCCC[C@@H](O)CC 163687281 166016442 /nfs/dbraw/zinc/01/64/42/166016442.db2.gz YCRVXGDBDNCCGF-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C#CCCCCC=C 71775429 166016459 /nfs/dbraw/zinc/01/64/59/166016459.db2.gz SNTQTQGMBSQRJZ-UHFFFAOYSA-N 0 0 108.184 2.366 10 30 AEEERN C#CCCCC(C)C 59209434 166016607 /nfs/dbraw/zinc/01/66/07/166016607.db2.gz CODOVMCZKJILBE-UHFFFAOYSA-N 0 0 110.200 2.446 10 30 AEEERN C#CCCCCn1cccc1 39079770 166016651 /nfs/dbraw/zinc/01/66/51/166016651.db2.gz OALHUYUJXPSCBM-UHFFFAOYSA-N 0 0 147.221 2.292 10 30 AEEERN C#CCC[C@H](O)CCCCC 82679958 166016774 /nfs/dbraw/zinc/01/67/74/166016774.db2.gz WBYQQEXMUPBIHG-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C#CCCc1ccccc1F 75421445 166016890 /nfs/dbraw/zinc/01/68/90/166016890.db2.gz ZKZQSYBHJZZIIT-UHFFFAOYSA-N 0 0 148.180 2.392 10 30 AEEERN C#CCCOc1cccc(O)c1C 34962326 166016901 /nfs/dbraw/zinc/01/69/01/166016901.db2.gz CECJRQUBMYZROK-UHFFFAOYSA-N 0 0 176.215 2.103 10 30 AEEERN C#CCCOc1ccc(C)cc1 39089436 166016907 /nfs/dbraw/zinc/01/69/07/166016907.db2.gz HYOHUHODXRPKMQ-UHFFFAOYSA-N 0 0 160.216 2.397 10 30 AEEERN C#CCC[C@H](CC)C(C)=O 82497151 166017049 /nfs/dbraw/zinc/01/70/49/166017049.db2.gz GRTPCJGVPSQWLF-VIFPVBQESA-N 0 0 138.210 2.015 10 30 AEEERN C#CCCn1c(C)nc2ccccc21 7466337 166017068 /nfs/dbraw/zinc/01/70/68/166017068.db2.gz XRPWSZKHXVIPQL-UHFFFAOYSA-N 0 0 184.242 2.368 10 30 AEEERN C#CCN(C)c1ccc(C)cc1 50006491 166017241 /nfs/dbraw/zinc/01/72/41/166017241.db2.gz BOMUMIGFWDAKGZ-UHFFFAOYSA-N 0 0 159.232 2.064 10 30 AEEERN C#CCCc1ccc([N+](=O)[O-])cc1 75421447 166017433 /nfs/dbraw/zinc/01/74/33/166017433.db2.gz IYHYWKQTKQNJKE-UHFFFAOYSA-N 0 0 175.187 2.161 10 30 AEEERN C#CCCSc1sc(N)nc1C 19509199 166017451 /nfs/dbraw/zinc/01/74/51/166017451.db2.gz RTCJLISKVHPNPP-UHFFFAOYSA-N 0 0 198.316 2.149 10 30 AEEERN C#CCCc1ccc(F)cc1 75421438 166017475 /nfs/dbraw/zinc/01/74/75/166017475.db2.gz OVXMKQWEDPXNIG-UHFFFAOYSA-N 0 0 148.180 2.392 10 30 AEEERN C#CCCc1ccc(N(C)C)cc1 75421201 166017482 /nfs/dbraw/zinc/01/74/82/166017482.db2.gz LFRBBVAANCHANY-UHFFFAOYSA-N 0 0 173.259 2.318 10 30 AEEERN C#CCCc1cccc(N(C)C)c1 75421200 166017520 /nfs/dbraw/zinc/01/75/20/166017520.db2.gz SLRMZUIVGZFGLM-UHFFFAOYSA-N 0 0 173.259 2.318 10 30 AEEERN C#CCN(CC)c1cccc(C)c1 42011977 166017850 /nfs/dbraw/zinc/01/78/50/166017850.db2.gz BWMNRBHZBMDCDO-UHFFFAOYSA-N 0 0 173.259 2.455 10 30 AEEERN C#CCCOc1ccc(NC)cc1 38056629 166017895 /nfs/dbraw/zinc/01/78/95/166017895.db2.gz PIXJEHGMUSMZSU-UHFFFAOYSA-N 0 0 175.231 2.130 10 30 AEEERN C#CCCc1ccc(C#N)cc1 75421546 166017980 /nfs/dbraw/zinc/01/79/80/166017980.db2.gz TUNWTJFNUPPIAN-UHFFFAOYSA-N 0 0 155.200 2.124 10 30 AEEERN C#CCCc1ccccc1OC 75421198 166018325 /nfs/dbraw/zinc/01/83/25/166018325.db2.gz RRGUXSZHYAADAO-UHFFFAOYSA-N 0 0 160.216 2.261 10 30 AEEERN C#CCC[C@@H](CC)C(C)=O 82497152 166018351 /nfs/dbraw/zinc/01/83/51/166018351.db2.gz GRTPCJGVPSQWLF-SECBINFHSA-N 0 0 138.210 2.015 10 30 AEEERN C#CCCn1cnc2ccccc21 7466308 166018359 /nfs/dbraw/zinc/01/83/59/166018359.db2.gz FFNYZEVXPQQZFK-UHFFFAOYSA-N 0 0 170.215 2.060 10 30 AEEERN C#CCCOc1cccc(C(C)=O)c1 19434393 166018361 /nfs/dbraw/zinc/01/83/61/166018361.db2.gz GXBSDMXVGIQRFE-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C#CCCc1cc(F)ccc1OC 75421211 166018436 /nfs/dbraw/zinc/01/84/36/166018436.db2.gz FBTWHFFADATHIT-UHFFFAOYSA-N 0 0 178.206 2.400 10 30 AEEERN C#CCCSc1ccccc1N 19513672 166018458 /nfs/dbraw/zinc/01/84/58/166018458.db2.gz ZUCCTHUVPGYMCX-UHFFFAOYSA-N 0 0 177.272 2.384 10 30 AEEERN C#CCCSc1ccc(N)cc1 37182582 166018466 /nfs/dbraw/zinc/01/84/66/166018466.db2.gz YOIRNZCOJDKRCX-UHFFFAOYSA-N 0 0 177.272 2.384 10 30 AEEERN C#CCC[C@@H]1CCC[C@H]1C=O 39061987 166018499 /nfs/dbraw/zinc/01/84/99/166018499.db2.gz VVSSKHWTEPLNOZ-ZJUUUORDSA-N 0 0 150.221 2.015 10 30 AEEERN C#CCCOc1ccc(CC#N)cc1 19430176 166018551 /nfs/dbraw/zinc/01/85/51/166018551.db2.gz NDLOMABJUNZNSE-UHFFFAOYSA-N 0 0 185.226 2.155 10 30 AEEERN C#CCCc1cccc(C#N)c1 75421568 166018554 /nfs/dbraw/zinc/01/85/54/166018554.db2.gz SZGFAXLRSDWOCT-UHFFFAOYSA-N 0 0 155.200 2.124 10 30 AEEERN C#CCCc1cc(F)ccc1O 39089040 166018557 /nfs/dbraw/zinc/01/85/57/166018557.db2.gz BPMYMLHRRXRSBF-UHFFFAOYSA-N 0 0 164.179 2.097 10 30 AEEERN C#CCCn1cc(C=O)c2ccccc21 16915405 166018568 /nfs/dbraw/zinc/01/85/68/166018568.db2.gz BKHQNIUQPIGSGD-UHFFFAOYSA-N 0 0 197.237 2.477 10 30 AEEERN C#CCC[C@@H](O)CCCCC 34774970 166018642 /nfs/dbraw/zinc/01/86/42/166018642.db2.gz WBYQQEXMUPBIHG-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C#CCCc1cccc(F)c1 75421564 166018868 /nfs/dbraw/zinc/01/88/68/166018868.db2.gz SWLZVMXHKVQASZ-UHFFFAOYSA-N 0 0 148.180 2.392 10 30 AEEERN C#CCCc1ccc2c(c1)OCCO2 75421195 166019007 /nfs/dbraw/zinc/01/90/07/166019007.db2.gz MAZLJLUKPQLBTG-UHFFFAOYSA-N 0 0 188.226 2.024 10 30 AEEERN C#CCN(CCC#N)c1ccccc1 19503498 166019660 /nfs/dbraw/zinc/01/96/60/166019660.db2.gz FUZBUMHJOJFHFP-UHFFFAOYSA-N 0 0 184.242 2.040 10 30 AEEERN C#CCNC(C#N)(CCC)CCC 51962567 166021750 /nfs/dbraw/zinc/02/17/50/166021750.db2.gz WZDFXMPABNUJEI-UHFFFAOYSA-N 0 0 178.279 2.072 10 30 AEEERN C#CCNCc1ccc([C@H]2C[C@H]2C)o1 19875418 166023384 /nfs/dbraw/zinc/02/33/84/166023384.db2.gz QDYIDKQCIWGRRY-KOLCDFICSA-N 0 0 189.258 2.126 10 30 AEEERN C#CCN[C@@H](C)c1cc(F)ccc1F 19875621 166023893 /nfs/dbraw/zinc/02/38/93/166023893.db2.gz PSCMOYUGNKPOPB-QMMMGPOBSA-N 0 0 195.212 2.249 10 30 AEEERN C#CCN[C@@H](C)c1nc(C)sc1C 20084788 166024105 /nfs/dbraw/zinc/02/41/05/166024105.db2.gz QDFJUDUFSQDBJX-ZETCQYMHSA-N 0 0 194.303 2.044 10 30 AEEERN C#CCNCc1ccc([C@H]2C[C@@H]2C)o1 19875419 166024114 /nfs/dbraw/zinc/02/41/14/166024114.db2.gz QDYIDKQCIWGRRY-ONGXEEELSA-N 0 0 189.258 2.126 10 30 AEEERN C#CCN[C@@H](C#N)c1ccc(C)cc1C 51962642 166024190 /nfs/dbraw/zinc/02/41/90/166024190.db2.gz TVWNWDGFJZTBLB-ZDUSSCGKSA-N 0 0 198.269 2.091 10 30 AEEERN C#CCNCc1ccc([C@@H]2C[C@H]2C)o1 19875420 166024191 /nfs/dbraw/zinc/02/41/91/166024191.db2.gz QDYIDKQCIWGRRY-MWLCHTKSSA-N 0 0 189.258 2.126 10 30 AEEERN C#CCNCc1ccc([C@@H]2C[C@@H]2C)o1 19875421 166025071 /nfs/dbraw/zinc/02/50/71/166025071.db2.gz QDYIDKQCIWGRRY-GXSJLCMTSA-N 0 0 189.258 2.126 10 30 AEEERN C#CCN[C@@H](C#N)c1ccc(CC)cc1 51962602 166025184 /nfs/dbraw/zinc/02/51/84/166025184.db2.gz REUQONQALOLUAA-ZDUSSCGKSA-N 0 0 198.269 2.036 10 30 AEEERN C#CCN[C@@H](C#N)CCCCCC 51962556 166025282 /nfs/dbraw/zinc/02/52/82/166025282.db2.gz WHQOQDLGEGAPKI-LLVKDONJSA-N 0 0 178.279 2.072 10 30 AEEERN C#CCNCc1c(F)cccc1Cl 19875643 166025515 /nfs/dbraw/zinc/02/55/15/166025515.db2.gz CPJCBSODLAMVBW-UHFFFAOYSA-N 0 0 197.640 2.202 10 30 AEEERN C#CCNCc1ccc(F)cc1Cl 20033319 166025565 /nfs/dbraw/zinc/02/55/65/166025565.db2.gz JPDVAKXZGMXPEA-UHFFFAOYSA-N 0 0 197.640 2.202 10 30 AEEERN C#CCN[C@@](C#N)(CC)C[C@H](C)CC 51962569 166025996 /nfs/dbraw/zinc/02/59/96/166025996.db2.gz GRRRTRVTSIMXJP-NEPJUHHUSA-N 0 0 192.306 2.318 10 30 AEEERN C#CCN[C@H](C)c1nc(C)sc1C 20084786 166026400 /nfs/dbraw/zinc/02/64/00/166026400.db2.gz QDFJUDUFSQDBJX-SSDOTTSWSA-N 0 0 194.303 2.044 10 30 AEEERN C#CCN[C@H](C#N)c1ccc(CC)cc1 51962600 166026551 /nfs/dbraw/zinc/02/65/51/166026551.db2.gz REUQONQALOLUAA-CYBMUJFWSA-N 0 0 198.269 2.036 10 30 AEEERN C#CCN[C@](C#N)(CC)C[C@@H](C)CC 51962575 166026684 /nfs/dbraw/zinc/02/66/84/166026684.db2.gz GRRRTRVTSIMXJP-NWDGAFQWSA-N 0 0 192.306 2.318 10 30 AEEERN C#CCN[C@H](C#N)c1ccc(C)cc1C 51962641 166026754 /nfs/dbraw/zinc/02/67/54/166026754.db2.gz TVWNWDGFJZTBLB-CYBMUJFWSA-N 0 0 198.269 2.091 10 30 AEEERN C#CCN[C@H](C)c1cc(F)ccc1F 19875620 166026787 /nfs/dbraw/zinc/02/67/87/166026787.db2.gz PSCMOYUGNKPOPB-MRVPVSSYSA-N 0 0 195.212 2.249 10 30 AEEERN C#CCN[C@](C)(C#N)CCCCCC 51962540 166027320 /nfs/dbraw/zinc/02/73/20/166027320.db2.gz LQTDHDFUQGVLKS-LBPRGKRZSA-N 0 0 192.306 2.462 10 30 AEEERN C#CCN[C@](C#N)(CC)C[C@H](C)CC 51962573 166027353 /nfs/dbraw/zinc/02/73/53/166027353.db2.gz GRRRTRVTSIMXJP-VXGBXAGGSA-N 0 0 192.306 2.318 10 30 AEEERN C#CCN[C@@](C#N)(CC)C[C@@H](C)CC 51962571 166027604 /nfs/dbraw/zinc/02/76/04/166027604.db2.gz GRRRTRVTSIMXJP-RYUDHWBXSA-N 0 0 192.306 2.318 10 30 AEEERN C#CCN[C@H](C#N)CCCCCC 51962555 166027646 /nfs/dbraw/zinc/02/76/46/166027646.db2.gz WHQOQDLGEGAPKI-NSHDSACASA-N 0 0 178.279 2.072 10 30 AEEERN C#CCN[C@@](C)(C#N)CCCCCC 51962541 166027679 /nfs/dbraw/zinc/02/76/79/166027679.db2.gz LQTDHDFUQGVLKS-GFCCVEGCSA-N 0 0 192.306 2.462 10 30 AEEERN C#CCNc1cccc(C)c1 38995587 166028351 /nfs/dbraw/zinc/02/83/51/166028351.db2.gz BRIMSUXEWGKYBU-UHFFFAOYSA-N 0 0 145.205 2.040 10 30 AEEERN C#CCNc1nccc2sccc12 50522602 166028504 /nfs/dbraw/zinc/02/85/04/166028504.db2.gz CRFUBZYGPWNESR-UHFFFAOYSA-N 0 0 188.255 2.341 10 30 AEEERN C#CCNc1ccc(SC)cc1 49537932 166028513 /nfs/dbraw/zinc/02/85/13/166028513.db2.gz CXMQKMIXHQOOLD-UHFFFAOYSA-N 0 0 177.272 2.454 10 30 AEEERN C#CCO/N=C(/C)c1ccccc1 34902034 166028564 /nfs/dbraw/zinc/02/85/64/166028564.db2.gz BEBHXERKIZQLDB-BENRWUELSA-N 0 0 173.215 2.060 10 30 AEEERN C#CCNc1ccc(C)cc1F 50521800 166028578 /nfs/dbraw/zinc/02/85/78/166028578.db2.gz GVXGZCKHQLZRLR-UHFFFAOYSA-N 0 0 163.195 2.179 10 30 AEEERN C#CCNc1cccc(F)c1C 50522256 166028593 /nfs/dbraw/zinc/02/85/93/166028593.db2.gz GISWQHBZUXZESU-UHFFFAOYSA-N 0 0 163.195 2.179 10 30 AEEERN C#CCOc1ccc(C)cc1[C@@H](C)O 35630458 166028991 /nfs/dbraw/zinc/02/89/91/166028991.db2.gz PEPOWONODDYYGA-SNVBAGLBSA-N 0 0 190.242 2.060 10 30 AEEERN C#CCSc1ccc(C)cc1N 37193321 166029070 /nfs/dbraw/zinc/02/90/70/166029070.db2.gz KKGWSYQZOKXZMW-UHFFFAOYSA-N 0 0 177.272 2.303 10 30 AEEERN C#CCOc1cccc(CC)c1 41634721 166029073 /nfs/dbraw/zinc/02/90/73/166029073.db2.gz KAVKHRJDQYRCTQ-UHFFFAOYSA-N 0 0 160.216 2.261 10 30 AEEERN C#CCSCCCC 3631895 166029182 /nfs/dbraw/zinc/02/91/82/166029182.db2.gz BPAWIQMMOKUBRA-UHFFFAOYSA-N 0 0 128.240 2.153 10 30 AEEERN C#CCSCc1cccc(N)c1 77019346 166029209 /nfs/dbraw/zinc/02/92/09/166029209.db2.gz PBWUPBPLOLOYCC-UHFFFAOYSA-N 0 0 177.272 2.135 10 30 AEEERN C#CCOc1ccccc1CC 39089449 166029225 /nfs/dbraw/zinc/02/92/25/166029225.db2.gz AYWIOFJEWPOEQW-UHFFFAOYSA-N 0 0 160.216 2.261 10 30 AEEERN C#CCOc1ccc(C)cc1OC 41634760 166029287 /nfs/dbraw/zinc/02/92/87/166029287.db2.gz JCCNJNUFPUNUPA-UHFFFAOYSA-N 0 0 176.215 2.016 10 30 AEEERN C#CCOc1ccc(CC)cc1 41634683 166029298 /nfs/dbraw/zinc/02/92/98/166029298.db2.gz OJMBPILAQIOJLG-UHFFFAOYSA-N 0 0 160.216 2.261 10 30 AEEERN C#CCSCc1ccco1 34588674 166029385 /nfs/dbraw/zinc/02/93/85/166029385.db2.gz CQZBKGSNNOLLRC-UHFFFAOYSA-N 0 0 152.218 2.146 10 30 AEEERN C#CCOc1cccc(C)c1C 41634737 166029404 /nfs/dbraw/zinc/02/94/04/166029404.db2.gz LZISGDHCLFDUNB-UHFFFAOYSA-N 0 0 160.216 2.315 10 30 AEEERN C#CCSCC(C)C 41635021 166029445 /nfs/dbraw/zinc/02/94/45/166029445.db2.gz RKQUMJHDWGFQHI-UHFFFAOYSA-N 0 0 128.240 2.009 10 30 AEEERN C#CCSc1ccc(F)cc1N 37195274 166029448 /nfs/dbraw/zinc/02/94/48/166029448.db2.gz HGPQPZBBSJJLJL-UHFFFAOYSA-N 0 0 181.235 2.133 10 30 AEEERN C#CCSc1ccc(O)cc1 38079009 166029537 /nfs/dbraw/zinc/02/95/37/166029537.db2.gz YODKDQXFABUJET-UHFFFAOYSA-N 0 0 164.229 2.118 10 30 AEEERN C#CCSc1ccc(N)cc1C 37193969 166029803 /nfs/dbraw/zinc/02/98/03/166029803.db2.gz JSQIYRDQZLBJBR-UHFFFAOYSA-N 0 0 177.272 2.303 10 30 AEEERN C#CCOc1ccc(C)c(C)c1 39089444 166029856 /nfs/dbraw/zinc/02/98/56/166029856.db2.gz JFJYDLISPKXUJQ-UHFFFAOYSA-N 0 0 160.216 2.315 10 30 AEEERN C#CCOc1cc(C=O)ccc1Cl 95935584 166029904 /nfs/dbraw/zinc/02/99/04/166029904.db2.gz UEAWFPCBDHYMOZ-UHFFFAOYSA-N 0 0 194.617 2.165 10 30 AEEERN C#CCOc1ccc(C#N)cc1Cl 42210739 166029926 /nfs/dbraw/zinc/02/99/26/166029926.db2.gz WIYUXMYJLUSAKH-UHFFFAOYSA-N 0 0 191.617 2.224 10 30 AEEERN C#CCOc1c(C)cc(OC)cc1C 39090379 166029979 /nfs/dbraw/zinc/02/99/79/166029979.db2.gz YDWRQCRSGZZZRY-UHFFFAOYSA-N 0 0 190.242 2.324 10 30 AEEERN C#CCSCc1ccc(N)cc1 58240978 166029986 /nfs/dbraw/zinc/02/99/86/166029986.db2.gz NGACLZWOSFYULS-UHFFFAOYSA-N 0 0 177.272 2.135 10 30 AEEERN C#CCOc1ccc(C)cc1[C@H](C)O 35630459 166029992 /nfs/dbraw/zinc/02/99/92/166029992.db2.gz PEPOWONODDYYGA-JTQLQIEISA-N 0 0 190.242 2.060 10 30 AEEERN C#CCOc1cc(C)ccc1C 41634669 166029999 /nfs/dbraw/zinc/02/99/99/166029999.db2.gz QGCKGFVFSUZBHZ-UHFFFAOYSA-N 0 0 160.216 2.315 10 30 AEEERN C#CCS[C@H](C)CC 32163276 166030043 /nfs/dbraw/zinc/03/00/43/166030043.db2.gz GCNRFCHIMLFBMB-SSDOTTSWSA-N 0 0 128.240 2.151 10 30 AEEERN C#CCO[C@]1(C)C=CCCC1 39089140 166030058 /nfs/dbraw/zinc/03/00/58/166030058.db2.gz ZFIMJGSRBFFTHM-SNVBAGLBSA-N 0 0 150.221 2.135 10 30 AEEERN C#CCOc1ccc(Cl)cc1C#N 52859853 166030069 /nfs/dbraw/zinc/03/00/69/166030069.db2.gz HGSBPRBOVVLVKN-UHFFFAOYSA-N 0 0 191.617 2.224 10 30 AEEERN C#CCOc1ccccc1C(=O)CC 19473798 166030079 /nfs/dbraw/zinc/03/00/79/166030079.db2.gz DRAIEWOSFQRTEZ-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C#CCOc1c(C)cc(C=O)cc1C 20424499 166030083 /nfs/dbraw/zinc/03/00/83/166030083.db2.gz BQWGPTJUDNBETN-UHFFFAOYSA-N 0 0 188.226 2.128 10 30 AEEERN C#CCOc1c(C)cc(O)cc1C 38863876 166030179 /nfs/dbraw/zinc/03/01/79/166030179.db2.gz GUMRRPYQCICJTJ-UHFFFAOYSA-N 0 0 176.215 2.021 10 30 AEEERN C#CCOc1c(C)cccc1C 38534711 166030195 /nfs/dbraw/zinc/03/01/95/166030195.db2.gz ICGQOPGIIGXBTD-UHFFFAOYSA-N 0 0 160.216 2.315 10 30 AEEERN C#CCOc1cccc(F)c1C(C)=O 20519006 166030412 /nfs/dbraw/zinc/03/04/12/166030412.db2.gz NKBGJTQLCIOQKK-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C#CCOc1ccc(C(=O)CC)cc1 19470602 166030446 /nfs/dbraw/zinc/03/04/46/166030446.db2.gz VRMPBIGCBLIDIQ-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C#CCOc1ccc(C)cc1C(C)=O 35629112 166030468 /nfs/dbraw/zinc/03/04/68/166030468.db2.gz DVQAVHDREYGGAR-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN C#CCOc1ccc(F)cc1Cl 41634665 166030504 /nfs/dbraw/zinc/03/05/04/166030504.db2.gz WZLSZEGSGJDGDF-UHFFFAOYSA-N 0 0 184.597 2.491 10 30 AEEERN C#CCOc1ccc(OCCC)cc1 41634717 166030704 /nfs/dbraw/zinc/03/07/04/166030704.db2.gz CFTZLMZELZARPR-UHFFFAOYSA-N 0 0 190.242 2.487 10 30 AEEERN C#CCOc1ccc(C(C)=O)cc1F 26516459 166030713 /nfs/dbraw/zinc/03/07/13/166030713.db2.gz WOVLSTOKYJJBGO-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C#CCOc1ccc(F)cc1C(C)=O 34937003 166030724 /nfs/dbraw/zinc/03/07/24/166030724.db2.gz UWBXHJKRUZOTLW-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C#CCOc1cccc(OCC)c1 51845291 166030732 /nfs/dbraw/zinc/03/07/32/166030732.db2.gz GTEFIIOTQFJTTK-UHFFFAOYSA-N 0 0 176.215 2.097 10 30 AEEERN C#CCOc1ccc(SC)cc1 34324401 166030735 /nfs/dbraw/zinc/03/07/35/166030735.db2.gz KAISVRPRDFZUKS-UHFFFAOYSA-N 0 0 178.256 2.421 10 30 AEEERN C#CCSC(C)(C)C 32163262 166030736 /nfs/dbraw/zinc/03/07/36/166030736.db2.gz SHONSRZOTAXGMU-UHFFFAOYSA-N 0 0 128.240 2.151 10 30 AEEERN C#CCS[C@@H](C)CC 32163278 166030747 /nfs/dbraw/zinc/03/07/47/166030747.db2.gz GCNRFCHIMLFBMB-ZETCQYMHSA-N 0 0 128.240 2.151 10 30 AEEERN C#CCSCc1cccc(C#N)c1 58240999 166030752 /nfs/dbraw/zinc/03/07/52/166030752.db2.gz SNYJBXVCYRGWQR-UHFFFAOYSA-N 0 0 187.267 2.425 10 30 AEEERN C#CCOc1ccc2[nH]ccc2c1 83823401 166030757 /nfs/dbraw/zinc/03/07/57/166030757.db2.gz UOMBOZOHHCAYNA-UHFFFAOYSA-N 0 0 171.199 2.180 10 30 AEEERN C#CCOc1ccc(C)cc1C 32148165 166030771 /nfs/dbraw/zinc/03/07/71/166030771.db2.gz CRJUIZSXKOAMAO-UHFFFAOYSA-N 0 0 160.216 2.315 10 30 AEEERN C#CCOc1cccc2c1NCCC2 38056128 166030786 /nfs/dbraw/zinc/03/07/86/166030786.db2.gz XHRWLWPQMCFDIA-UHFFFAOYSA-N 0 0 187.242 2.057 10 30 AEEERN C#CCOc1ccc2c(c1)CCC2 41634729 166030789 /nfs/dbraw/zinc/03/07/89/166030789.db2.gz XONSXFXGLCMDPJ-UHFFFAOYSA-N 0 0 172.227 2.187 10 30 AEEERN C#CCSc1ccc(N)cc1F 37194604 166030796 /nfs/dbraw/zinc/03/07/96/166030796.db2.gz GRGLLKICHDWDGG-UHFFFAOYSA-N 0 0 181.235 2.133 10 30 AEEERN C#CC[C@@H]1C[C@H](CC)CC[C@@H]1O 49852464 166030953 /nfs/dbraw/zinc/03/09/53/166030953.db2.gz YRHIGALHBPKNKG-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@@H]1CCC[C@@H]1C(C)=O 39069695 166030967 /nfs/dbraw/zinc/03/09/67/166030967.db2.gz MAYZMMBJQDDVQS-NXEZZACHSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC[C@@H](C)[C@@H](O)c1ccccc1 163503224 166031026 /nfs/dbraw/zinc/03/10/26/166031026.db2.gz DMEMPDYTEUGVCG-ZYHUDNBSSA-N 0 0 174.243 2.379 10 30 AEEERN C#CC[C@@H](O)c1ccc(C)cc1 51074391 166031121 /nfs/dbraw/zinc/03/11/21/166031121.db2.gz NYCSVYWBBWEETB-LLVKDONJSA-N 0 0 160.216 2.052 10 30 AEEERN C#CC[C@H](C)[C@H](O)c1ccccc1 163502910 166031210 /nfs/dbraw/zinc/03/12/10/166031210.db2.gz DMEMPDYTEUGVCG-JQWIXIFHSA-N 0 0 174.243 2.379 10 30 AEEERN C#CC[C@@H](C)C(=O)Nc1ccccc1 75421263 166031214 /nfs/dbraw/zinc/03/12/14/166031214.db2.gz ZQUPVQUISAHCEK-SNVBAGLBSA-N 0 0 187.242 2.285 10 30 AEEERN C#CCSc1cccs1 42012050 166031413 /nfs/dbraw/zinc/03/14/13/166031413.db2.gz FYUSTBBHBZOOCF-UHFFFAOYSA-N 0 0 154.259 2.473 10 30 AEEERN C#CC[C@@H](O)c1cccc(OCC)c1 51074378 166031631 /nfs/dbraw/zinc/03/16/31/166031631.db2.gz YJYOFMSWIMEFTO-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN C#CC[C@@H]1CCCC[C@@H]1C(C)=O 39071617 166031696 /nfs/dbraw/zinc/03/16/96/166031696.db2.gz MZGRTKZZXUCWCQ-GHMZBOCLSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCSc1ccccc1[N+](=O)[O-] 42012055 166031732 /nfs/dbraw/zinc/03/17/32/166031732.db2.gz BULRYCLIEFGBBB-UHFFFAOYSA-N 0 0 193.227 2.320 10 30 AEEERN C#CC[C@@H]1C[C@@H](CC)CC[C@@H]1O 49852465 166031773 /nfs/dbraw/zinc/03/17/73/166031773.db2.gz YRHIGALHBPKNKG-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@H](C)C(=O)Nc1ccccc1 75421262 166031857 /nfs/dbraw/zinc/03/18/57/166031857.db2.gz ZQUPVQUISAHCEK-JTQLQIEISA-N 0 0 187.242 2.285 10 30 AEEERN C#CC[C@@H]1C[C@H](CC)CCC1=O 43653430 166031963 /nfs/dbraw/zinc/03/19/63/166031963.db2.gz GOZCSYKJXRMUIW-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCSc1ccccc1O 39184800 166031991 /nfs/dbraw/zinc/03/19/91/166031991.db2.gz RRGPVTOGLKBYCT-UHFFFAOYSA-N 0 0 164.229 2.118 10 30 AEEERN C#CC[C@@H](O)c1ccc(SC)cc1 75421063 166032018 /nfs/dbraw/zinc/03/20/18/166032018.db2.gz ZVROAVRZNFPFLA-LLVKDONJSA-N 0 0 192.283 2.465 10 30 AEEERN C#CC[C@@H]1C[C@@H](CC)CCC1=O 43653432 166032131 /nfs/dbraw/zinc/03/21/31/166032131.db2.gz GOZCSYKJXRMUIW-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN C#CC[C@@H]1CCc2ccccc2[C@H]1O 43659436 166032147 /nfs/dbraw/zinc/03/21/47/166032147.db2.gz VTPCEPBPEHTXRY-YPMHNXCESA-N 0 0 186.254 2.306 10 30 AEEERN C#CC[C@@H]1CCC[C@H]1C(C)=O 39069694 166032221 /nfs/dbraw/zinc/03/22/21/166032221.db2.gz MAYZMMBJQDDVQS-ZJUUUORDSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC[C@@H]1CCCCCC1=O 38875309 166032324 /nfs/dbraw/zinc/03/23/24/166032324.db2.gz MHDOXBYNUYJLMU-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN C#CC[C@@H]1CCc2ccccc2[C@@H]1O 43659433 166032505 /nfs/dbraw/zinc/03/25/05/166032505.db2.gz VTPCEPBPEHTXRY-DGCLKSJQSA-N 0 0 186.254 2.306 10 30 AEEERN C#CC[C@@H](O)c1ccc(Cl)cc1 38312425 166032541 /nfs/dbraw/zinc/03/25/41/166032541.db2.gz IIAUVRPNVTVBEW-SNVBAGLBSA-N 0 0 180.634 2.397 10 30 AEEERN C#CC[C@@H](O)CCCCCC 82679760 166032570 /nfs/dbraw/zinc/03/25/70/166032570.db2.gz KBUOIXPROFWBTA-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C#CC[C@@H](O)c1ccccc1Cl 35803447 166032585 /nfs/dbraw/zinc/03/25/85/166032585.db2.gz YBTBDCBYUSRNOY-SNVBAGLBSA-N 0 0 180.634 2.397 10 30 AEEERN C#CC[C@@H]1CCCC[C@H]1C(C)=O 45796486 166032641 /nfs/dbraw/zinc/03/26/41/166032641.db2.gz MZGRTKZZXUCWCQ-MNOVXSKESA-N 0 0 164.248 2.405 10 30 AEEERN C#CC[C@@H]1CC=C(C(C)=O)CC1 39071254 166032733 /nfs/dbraw/zinc/03/27/33/166032733.db2.gz JKPKGEYKIZQJCO-SNVBAGLBSA-N 0 0 162.232 2.325 10 30 AEEERN C#CC[C@@H](O)CCc1ccccc1 38292699 166032818 /nfs/dbraw/zinc/03/28/18/166032818.db2.gz HAOQISDPTHJLBC-GFCCVEGCSA-N 0 0 174.243 2.003 10 30 AEEERN C#CC[C@@H](C)[C@H](O)c1ccccc1 163503013 166032866 /nfs/dbraw/zinc/03/28/66/166032866.db2.gz DMEMPDYTEUGVCG-PWSUYJOCSA-N 0 0 174.243 2.379 10 30 AEEERN C#CC[C@H]1CCCC[C@@H]1C(C)=O 39071615 166033286 /nfs/dbraw/zinc/03/32/86/166033286.db2.gz MZGRTKZZXUCWCQ-WDEREUQCSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCc1ccc(C(C)=O)cc1 95762403 166033323 /nfs/dbraw/zinc/03/33/23/166033323.db2.gz HDFIOUVBYAXKOR-UHFFFAOYSA-N 0 0 158.200 2.065 10 30 AEEERN C#CC[C@H]1CCC[C@@H]1C(C)=O 39069693 166033334 /nfs/dbraw/zinc/03/33/34/166033334.db2.gz MAYZMMBJQDDVQS-VHSXEESVSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC[C@H]1CCCCCC1=O 38875310 166033400 /nfs/dbraw/zinc/03/34/00/166033400.db2.gz MHDOXBYNUYJLMU-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN C#CC[C@H]1CCC[C@H]1C(C)=O 39069692 166033424 /nfs/dbraw/zinc/03/34/24/166033424.db2.gz MAYZMMBJQDDVQS-UWVGGRQHSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC[C@H](O)CCc1ccccc1 38292698 166033627 /nfs/dbraw/zinc/03/36/27/166033627.db2.gz HAOQISDPTHJLBC-LBPRGKRZSA-N 0 0 174.243 2.003 10 30 AEEERN C#CCc1ccc(Br)cn1 95762409 166033652 /nfs/dbraw/zinc/03/36/52/166033652.db2.gz HGYKLNBLOGCPIC-UHFFFAOYSA-N 0 0 196.047 2.020 10 30 AEEERN C#CC[C@H]1CCCC[C@H]1C(C)=O 39071605 166033794 /nfs/dbraw/zinc/03/37/94/166033794.db2.gz MZGRTKZZXUCWCQ-QWRGUYRKSA-N 0 0 164.248 2.405 10 30 AEEERN C#CC[C@H]1CCc2ccccc2[C@@H]1O 43659434 166033817 /nfs/dbraw/zinc/03/38/17/166033817.db2.gz VTPCEPBPEHTXRY-WCQYABFASA-N 0 0 186.254 2.306 10 30 AEEERN C#CC[C@H](O)c1ccc(SC)cc1 75421064 166033996 /nfs/dbraw/zinc/03/39/96/166033996.db2.gz ZVROAVRZNFPFLA-NSHDSACASA-N 0 0 192.283 2.465 10 30 AEEERN C#CC[C@](C)(O)CCCCC 2570030 166034114 /nfs/dbraw/zinc/03/41/14/166034114.db2.gz ZDKPNMVBLIIQAA-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C#CC[C@H](O)CCCCCC 82679761 166034206 /nfs/dbraw/zinc/03/42/06/166034206.db2.gz KBUOIXPROFWBTA-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C#CCc1ccc(Br)nc1 95761595 166034217 /nfs/dbraw/zinc/03/42/17/166034217.db2.gz PSCPOSWBTTYVBL-UHFFFAOYSA-N 0 0 196.047 2.020 10 30 AEEERN C#CCc1nc2ccccc2nc1C 39114352 166034251 /nfs/dbraw/zinc/03/42/51/166034251.db2.gz UHINUTOLDSZDSW-UHFFFAOYSA-N 0 0 182.226 2.114 10 30 AEEERN C#CC[C@H]1C[C@H](CC)CCC1=O 43653433 166034312 /nfs/dbraw/zinc/03/43/12/166034312.db2.gz GOZCSYKJXRMUIW-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCc1cccc(C(C)=O)c1 39070646 166034337 /nfs/dbraw/zinc/03/43/37/166034337.db2.gz FJRHITODCFSBSV-UHFFFAOYSA-N 0 0 158.200 2.065 10 30 AEEERN C#CC[C@H]1C[C@@H](CC)CCC1=O 43653435 166034407 /nfs/dbraw/zinc/03/44/07/166034407.db2.gz GOZCSYKJXRMUIW-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CC[C@H]1CCc2ccccc2[C@H]1O 43659438 166034465 /nfs/dbraw/zinc/03/44/65/166034465.db2.gz VTPCEPBPEHTXRY-AAEUAGOBSA-N 0 0 186.254 2.306 10 30 AEEERN C#CCc1ccccc1C(C)=O 39070648 166034667 /nfs/dbraw/zinc/03/46/67/166034667.db2.gz GNRIBASHZCBBDF-UHFFFAOYSA-N 0 0 158.200 2.065 10 30 AEEERN C#CC[C@H](O)c1ccc(Cl)cc1 51074386 166034670 /nfs/dbraw/zinc/03/46/70/166034670.db2.gz IIAUVRPNVTVBEW-JTQLQIEISA-N 0 0 180.634 2.397 10 30 AEEERN C#CC[C@H](O)c1ccccc1Cl 35803446 166034985 /nfs/dbraw/zinc/03/49/85/166034985.db2.gz YBTBDCBYUSRNOY-JTQLQIEISA-N 0 0 180.634 2.397 10 30 AEEERN C#CC[C@H]1CC=C(C(C)=O)CC1 39071251 166035098 /nfs/dbraw/zinc/03/50/98/166035098.db2.gz JKPKGEYKIZQJCO-JTQLQIEISA-N 0 0 162.232 2.325 10 30 AEEERN C#CCn1c(=S)[nH]c2ccccc21 1408152 166035236 /nfs/dbraw/zinc/03/52/36/166035236.db2.gz JUFLPKCBMTVECD-UHFFFAOYSA-N 0 0 188.255 2.332 10 30 AEEERN C#CCn1c(CC)nc2ccccc21 39908080 166035264 /nfs/dbraw/zinc/03/52/64/166035264.db2.gz OHSFJQZJMPIZIP-UHFFFAOYSA-N 0 0 184.242 2.232 10 30 AEEERN C#CCn1c(Cl)nc2ccccc21 7453529 166035504 /nfs/dbraw/zinc/03/55/04/166035504.db2.gz KWSMTMNVSQXAJY-UHFFFAOYSA-N 0 0 190.633 2.323 10 30 AEEERN C#CCn1c(C=O)cc2ccccc21 196105773 166036097 /nfs/dbraw/zinc/03/60/97/166036097.db2.gz WBEXUPDICMRHHG-UHFFFAOYSA-N 0 0 183.210 2.087 10 30 AEEERN C#C[C@H](C)Nc1cccc(C)c1 135065118 166036521 /nfs/dbraw/zinc/03/65/21/166036521.db2.gz CRSMQOODJYRRJD-JTQLQIEISA-N 0 0 159.232 2.429 10 30 AEEERN C#C[C@H](C)Nc1ccc(OC)cc1 39089944 166036618 /nfs/dbraw/zinc/03/66/18/166036618.db2.gz ICYFRKNXVRXFCO-VIFPVBQESA-N 0 0 175.231 2.129 10 30 AEEERN C#C[C@@H]1CCCC[C@@H]1C(C)=O 39049854 166036672 /nfs/dbraw/zinc/03/66/72/166036672.db2.gz ICDOSOYGYZGULF-NXEZZACHSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@H](C)COCc1ccccc1 201476950 166036685 /nfs/dbraw/zinc/03/66/85/166036685.db2.gz MXJQAGCBHJCTTF-NSHDSACASA-N 0 0 174.243 2.473 10 30 AEEERN C#C[C@@]12CC[C@@](C)([C@H](O)C1)C2(C)C 256874097 166036720 /nfs/dbraw/zinc/03/67/20/166036720.db2.gz KYGQEHXRKZPAKG-ADEWGFFLSA-N 0 0 178.275 2.197 10 30 AEEERN C#C[C@H](C)Oc1ccc(C)cc1 38338063 166036818 /nfs/dbraw/zinc/03/68/18/166036818.db2.gz SKDKDBPUOHNXOO-JTQLQIEISA-N 0 0 160.216 2.396 10 30 AEEERN C#C[C@@]12CCCC[C@@H](CC1)O2 39049924 166036830 /nfs/dbraw/zinc/03/68/30/166036830.db2.gz HBTVDDAYXOMMST-VHSXEESVSA-N 0 0 150.221 2.111 10 30 AEEERN C#C[C@@]1(CCCC)C[C@@H]1C=O 39049910 166036948 /nfs/dbraw/zinc/03/69/48/166036948.db2.gz NHQRZRCKDVKKMU-NXEZZACHSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@@H]1CCCCCS1 34127629 166036999 /nfs/dbraw/zinc/03/69/99/166036999.db2.gz JITSBNQAMUNGBH-MRVPVSSYSA-N 0 0 140.251 2.295 10 30 AEEERN C#C[C@H](C)CCCC(C)=O 39068859 166037071 /nfs/dbraw/zinc/03/70/71/166037071.db2.gz LMTRMIJFXKQDDE-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN C#C[C@@H]1CCC[C@H](C)C1 98209887 166037300 /nfs/dbraw/zinc/03/73/00/166037300.db2.gz USAYQYPDQGAETO-DTWKUNHWSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@H](C)Nc1ccc(C)cc1 39204205 166037401 /nfs/dbraw/zinc/03/74/01/166037401.db2.gz XZJOCSBHIZJVAB-JTQLQIEISA-N 0 0 159.232 2.429 10 30 AEEERN C#C[C@@](O)(CC)C[C@@H](C)CC 32226997 166037460 /nfs/dbraw/zinc/03/74/60/166037460.db2.gz FMLRBVOUYLRDRV-VHSXEESVSA-N 0 0 154.253 2.197 10 30 AEEERN C#C[C@@H]1CCCC[C@H]1C(C)=O 39049852 166037558 /nfs/dbraw/zinc/03/75/58/166037558.db2.gz ICDOSOYGYZGULF-ZJUUUORDSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@@](C)(Cl)CC 1238562 166037664 /nfs/dbraw/zinc/03/76/64/166037664.db2.gz WTNNDYSRQSOJKB-ZCFIWIBFSA-N 0 0 116.591 2.027 10 30 AEEERN C#C[C@@]1(CCCC)C[C@H]1C=O 39049912 166037707 /nfs/dbraw/zinc/03/77/07/166037707.db2.gz NHQRZRCKDVKKMU-VHSXEESVSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@@]1(C)CCCCCC1=O 39049892 166037715 /nfs/dbraw/zinc/03/77/15/166037715.db2.gz URUYZONMCOKJIY-JTQLQIEISA-N 0 0 150.221 2.159 10 30 AEEERN C#C[C@@](C)(OCOC)c1ccccc1 146841417 166037790 /nfs/dbraw/zinc/03/77/90/166037790.db2.gz BDRROWJJIIAKCM-GFCCVEGCSA-N 0 0 190.242 2.156 10 30 AEEERN C#C[C@@](C)(CC(C)C)OC 24627516 166037817 /nfs/dbraw/zinc/03/78/17/166037817.db2.gz BNMIJNQGOLVVOT-VIFPVBQESA-N 0 0 140.226 2.071 10 30 AEEERN C#C[C@@H]1CCC[C@@H](C)C1 98209886 166037925 /nfs/dbraw/zinc/03/79/25/166037925.db2.gz USAYQYPDQGAETO-RKDXNWHRSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@H](C)Nc1ccccc1OC 39271014 166038058 /nfs/dbraw/zinc/03/80/58/166038058.db2.gz GMXSKHQQWQSMMC-VIFPVBQESA-N 0 0 175.231 2.129 10 30 AEEERN C#C[C@@](O)(CC)C[C@H](C)CC 32226995 166038244 /nfs/dbraw/zinc/03/82/44/166038244.db2.gz FMLRBVOUYLRDRV-NXEZZACHSA-N 0 0 154.253 2.197 10 30 AEEERN C#C[C@H](C)Nc1ccccc1C 39271012 166038255 /nfs/dbraw/zinc/03/82/55/166038255.db2.gz NRTSXSPAJCPIPU-JTQLQIEISA-N 0 0 159.232 2.429 10 30 AEEERN C#C[C@H]1CCC[C@@H](C)C1 98209884 166038318 /nfs/dbraw/zinc/03/83/18/166038318.db2.gz USAYQYPDQGAETO-BDAKNGLRSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@]1(CCCC)C[C@@H]1C=O 39049911 166038416 /nfs/dbraw/zinc/03/84/16/166038416.db2.gz NHQRZRCKDVKKMU-ZJUUUORDSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@](C)(CC(C)C)OC 24627509 166038423 /nfs/dbraw/zinc/03/84/23/166038423.db2.gz BNMIJNQGOLVVOT-SECBINFHSA-N 0 0 140.226 2.071 10 30 AEEERN C#C[C@H]1CCCC[C@H]1C(C)=O 39049848 166038517 /nfs/dbraw/zinc/03/85/17/166038517.db2.gz ICDOSOYGYZGULF-UWVGGRQHSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@H](O)c1ccc(C(C)C)cc1 39398096 166038655 /nfs/dbraw/zinc/03/86/55/166038655.db2.gz HJXHCIGCUICKJP-LBPRGKRZSA-N 0 0 174.243 2.477 10 30 AEEERN C#C[C@](C)(OCOC)c1ccccc1 146841218 166038683 /nfs/dbraw/zinc/03/86/83/166038683.db2.gz BDRROWJJIIAKCM-LBPRGKRZSA-N 0 0 190.242 2.156 10 30 AEEERN C#C[C@H]1CC=C(C)[C@@H](CC)O1 39049815 166039117 /nfs/dbraw/zinc/03/91/17/166039117.db2.gz HLNLSZSPAGCGRT-VHSXEESVSA-N 0 0 150.221 2.133 10 30 AEEERN C#C[C@]1(CCCC)C[C@H]1C=O 39049913 166039123 /nfs/dbraw/zinc/03/91/23/166039123.db2.gz NHQRZRCKDVKKMU-UWVGGRQHSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@](O)(CC)C[C@@H](C)CC 32226993 166039144 /nfs/dbraw/zinc/03/91/44/166039144.db2.gz FMLRBVOUYLRDRV-UWVGGRQHSA-N 0 0 154.253 2.197 10 30 AEEERN C#C[C@](O)(CC)C[C@H](C)CC 2390363 166039184 /nfs/dbraw/zinc/03/91/84/166039184.db2.gz FMLRBVOUYLRDRV-ZJUUUORDSA-N 0 0 154.253 2.197 10 30 AEEERN C#C[C@H]1CCCCCS1 34127631 166039516 /nfs/dbraw/zinc/03/95/16/166039516.db2.gz JITSBNQAMUNGBH-QMMMGPOBSA-N 0 0 140.251 2.295 10 30 AEEERN C#C[C@H]1CCCC[C@@H]1C(C)=O 39049850 166039712 /nfs/dbraw/zinc/03/97/12/166039712.db2.gz ICDOSOYGYZGULF-VHSXEESVSA-N 0 0 150.221 2.015 10 30 AEEERN C#C[C@H]1CCC[C@H](C)C1 98209885 166039786 /nfs/dbraw/zinc/03/97/86/166039786.db2.gz USAYQYPDQGAETO-IUCAKERBSA-N 0 0 122.211 2.446 10 30 AEEERN C#C[C@H](O)CCCCCCC 103836869 166040037 /nfs/dbraw/zinc/04/00/37/166040037.db2.gz DQBUGZRLSSLUKC-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C#C[C@]1(C)CCCCCC1=O 39049893 166040065 /nfs/dbraw/zinc/04/00/65/166040065.db2.gz URUYZONMCOKJIY-SNVBAGLBSA-N 0 0 150.221 2.159 10 30 AEEERN C#C[C@H](O)C12CC3CC(CC(C3)C1)C2 39168838 166040160 /nfs/dbraw/zinc/04/01/60/166040160.db2.gz DIXZHASZHVQANE-RFMXUXEOSA-N 0 0 190.286 2.197 10 30 AEEERN C#C[C@](C)(Cl)CC 1238563 166040171 /nfs/dbraw/zinc/04/01/71/166040171.db2.gz WTNNDYSRQSOJKB-LURJTMIESA-N 0 0 116.591 2.027 10 30 AEEERN C#Cc1cc(C)ccc1F 62605331 166040331 /nfs/dbraw/zinc/04/03/31/166040331.db2.gz VVXRWANXZQDFKY-UHFFFAOYSA-N 0 0 134.153 2.115 10 30 AEEERN C#Cc1c(C)nn(-c2ccccc2)c1C 95629854 166040353 /nfs/dbraw/zinc/04/03/53/166040353.db2.gz SHCTVSAEFNONEH-UHFFFAOYSA-N 0 0 196.253 2.470 10 30 AEEERN C#Cc1ccc(F)c(F)c1F 59580858 166040381 /nfs/dbraw/zinc/04/03/81/166040381.db2.gz CJVZHWNKDYIPSD-UHFFFAOYSA-N 0 0 156.106 2.085 10 30 AEEERN C#Cc1cc(C)cc(F)c1 66319036 166040435 /nfs/dbraw/zinc/04/04/35/166040435.db2.gz UOUSZBMREDOLON-UHFFFAOYSA-N 0 0 134.153 2.115 10 30 AEEERN C#Cc1cc(F)cc(F)c1F 62605424 166040467 /nfs/dbraw/zinc/04/04/67/166040467.db2.gz FNYZSCSYWRXSAZ-UHFFFAOYSA-N 0 0 156.106 2.085 10 30 AEEERN C#Cc1ccc(C)c(F)c1 58626238 166040585 /nfs/dbraw/zinc/04/05/85/166040585.db2.gz JZWXECJEVNUTPL-UHFFFAOYSA-N 0 0 134.153 2.115 10 30 AEEERN C#Cc1ccc(C2OCCCO2)cc1 45817327 166040822 /nfs/dbraw/zinc/04/08/22/166040822.db2.gz CTPUOIOIVOKZLQ-UHFFFAOYSA-N 0 0 188.226 2.103 10 30 AEEERN C#C[C@]1(O)C[C@H]2CC[C@]1(C)C2(C)C 4614397 166041100 /nfs/dbraw/zinc/04/11/00/166041100.db2.gz AXIWZGXZGAUBSU-JLLWLGSASA-N 0 0 178.275 2.197 10 30 AEEERN C#Cc1c(F)c(F)cc(F)c1F 95629866 166041119 /nfs/dbraw/zinc/04/11/19/166041119.db2.gz DPTRVEJPVFKIHN-UHFFFAOYSA-N 0 0 174.096 2.224 10 30 AEEERN C#Cc1cc2ccccc2n1C 39095522 166041139 /nfs/dbraw/zinc/04/11/39/166041139.db2.gz KKFMTTIGOXDYOP-UHFFFAOYSA-N 0 0 155.200 2.160 10 30 AEEERN C#Cc1ccc(C(F)(F)F)cc1N 21987767 166041142 /nfs/dbraw/zinc/04/11/42/166041142.db2.gz VGCQJLPNRCDCLZ-UHFFFAOYSA-N 0 0 185.148 2.269 10 30 AEEERN C#Cc1ccc(-c2nc(C)no2)cc1 113812012 166041388 /nfs/dbraw/zinc/04/13/88/166041388.db2.gz PUMSYTOKMZZTJM-UHFFFAOYSA-N 0 0 184.198 2.026 10 30 AEEERN C#Cc1cc(F)ccc1C(C)=O 36533524 166041516 /nfs/dbraw/zinc/04/15/16/166041516.db2.gz MFGUKZKZGSJQIK-UHFFFAOYSA-N 0 0 162.163 2.010 10 30 AEEERN C#Cc1cc(F)ccc1C 62605334 166041564 /nfs/dbraw/zinc/04/15/64/166041564.db2.gz KJDUKRMQGGEDBY-UHFFFAOYSA-N 0 0 134.153 2.115 10 30 AEEERN C#Cc1ccc(N)c(C(F)(F)F)c1 36533548 166041590 /nfs/dbraw/zinc/04/15/90/166041590.db2.gz NLPDNZRHBDSGLD-UHFFFAOYSA-N 0 0 185.148 2.269 10 30 AEEERN C#Cc1ccc(C(F)(F)F)c(N)c1 36533546 166041660 /nfs/dbraw/zinc/04/16/60/166041660.db2.gz FGVOWDYPSMOMME-UHFFFAOYSA-N 0 0 185.148 2.269 10 30 AEEERN C#Cc1cc(Cl)nc(Cl)c1 95761569 166041763 /nfs/dbraw/zinc/04/17/63/166041763.db2.gz DNKLKPDPJZUEFT-UHFFFAOYSA-N 0 0 172.014 2.370 10 30 AEEERN C#C[C@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C 4614396 166041905 /nfs/dbraw/zinc/04/19/05/166041905.db2.gz AXIWZGXZGAUBSU-DLOVCJGASA-N 0 0 178.275 2.197 10 30 AEEERN C#Cc1cc(C(C)=O)ccc1F 36533526 166041922 /nfs/dbraw/zinc/04/19/22/166041922.db2.gz NRRSHBMUXQFVMM-UHFFFAOYSA-N 0 0 162.163 2.010 10 30 AEEERN C#Cc1c(Cl)ccnc1Cl 95761567 166041928 /nfs/dbraw/zinc/04/19/28/166041928.db2.gz WVLZHIBVTDSPSA-UHFFFAOYSA-N 0 0 172.014 2.370 10 30 AEEERN C#Cc1cccc(-n2cccc2)c1 42011931 166042422 /nfs/dbraw/zinc/04/24/22/166042422.db2.gz QYDUBTICIPRDIJ-UHFFFAOYSA-N 0 0 167.211 2.459 10 30 AEEERN C#Cc1ccc2c(ccn2C)c1 39095528 166042467 /nfs/dbraw/zinc/04/24/67/166042467.db2.gz PYGMFJNZULYAPO-UHFFFAOYSA-N 0 0 155.200 2.160 10 30 AEEERN C#Cc1ccc(O)c(Cl)c1 39125644 166042472 /nfs/dbraw/zinc/04/24/72/166042472.db2.gz FNWXQDJOVCEXGJ-UHFFFAOYSA-N 0 0 152.580 2.027 10 30 AEEERN C#Cc1ccc([C@@H](N)C(F)(F)F)cc1 72191397 166042620 /nfs/dbraw/zinc/04/26/20/166042620.db2.gz FGPOIHGLQQKTIZ-SECBINFHSA-N 0 0 199.175 2.230 10 30 AEEERN C#Cc1cccc(-c2cnco2)c1 299889056 166042633 /nfs/dbraw/zinc/04/26/33/166042633.db2.gz CUQWQXMOCWAPGF-UHFFFAOYSA-N 0 0 169.183 2.323 10 30 AEEERN C#Cc1cccc(NCCC)c1 19877002 166042739 /nfs/dbraw/zinc/04/27/39/166042739.db2.gz IGOKJUSZLVPISF-UHFFFAOYSA-N 0 0 159.232 2.490 10 30 AEEERN C#Cc1cccc(NC(=O)C(=C)C)c1 321048 166042850 /nfs/dbraw/zinc/04/28/50/166042850.db2.gz GGPKFVBAOMXVFF-UHFFFAOYSA-N 0 0 185.226 2.183 10 30 AEEERN C#Cc1cccc(NCC(F)F)c1 37755665 166042940 /nfs/dbraw/zinc/04/29/40/166042940.db2.gz FPPKDVLAYSQEGL-UHFFFAOYSA-N 0 0 181.185 2.345 10 30 AEEERN C#Cc1ccc(OC(C)C)c(OC)c1 39039066 166043091 /nfs/dbraw/zinc/04/30/91/166043091.db2.gz BHQMEQPRXIHBEE-UHFFFAOYSA-N 0 0 190.242 2.464 10 30 AEEERN C#Cc1ccc([C@H](N)C(F)(F)F)cc1 72191398 166043175 /nfs/dbraw/zinc/04/31/75/166043175.db2.gz FGPOIHGLQQKTIZ-VIFPVBQESA-N 0 0 199.175 2.230 10 30 AEEERN C#Cc1nc(CCC)cs1 39048771 166043834 /nfs/dbraw/zinc/04/38/34/166043834.db2.gz QFJFTDTXFCZISP-UHFFFAOYSA-N 0 0 151.234 2.077 10 30 AEEERN C(#C[C@H]1CCCO1)c1ccccc1 38434075 166044142 /nfs/dbraw/zinc/04/41/42/166044142.db2.gz APTJHSQFMPBGBQ-GFCCVEGCSA-N 0 0 172.227 2.217 10 30 AEEERN C#Cc1coc2ccccc12 24429496 166044202 /nfs/dbraw/zinc/04/42/02/166044202.db2.gz DOWJWIWZARBDOW-UHFFFAOYSA-N 0 0 142.157 2.414 10 30 AEEERN C#Cc1sccc1CC 39049226 166044204 /nfs/dbraw/zinc/04/42/04/166044204.db2.gz DLZOWIZGSLIQFD-UHFFFAOYSA-N 0 0 136.219 2.292 10 30 AEEERN C#Cc1cnc(Cl)cc1Cl 95761568 166044271 /nfs/dbraw/zinc/04/42/71/166044271.db2.gz PJBRTXSBJCAQHA-UHFFFAOYSA-N 0 0 172.014 2.370 10 30 AEEERN C#Cc1csc(CC)c1 39049175 166044341 /nfs/dbraw/zinc/04/43/41/166044341.db2.gz AOMUGLNCLNOLSV-UHFFFAOYSA-N 0 0 136.219 2.292 10 30 AEEERN C#Cc1nc(C(C)C)cs1 39048775 166044354 /nfs/dbraw/zinc/04/43/54/166044354.db2.gz BXFXBGHYRNCQTB-UHFFFAOYSA-N 0 0 151.234 2.248 10 30 AEEERN C(#CC1CC1)c1n[nH]c2ccccc12 66263698 166044866 /nfs/dbraw/zinc/04/48/66/166044866.db2.gz RKZRRSJTRUBLDG-UHFFFAOYSA-N 0 0 182.226 2.324 10 30 AEEERN C#Cc1cncc(C(F)(F)F)c1 209822343 166044981 /nfs/dbraw/zinc/04/49/81/166044981.db2.gz PNIPWJXORLTRCA-UHFFFAOYSA-N 0 0 171.121 2.082 10 30 AEEERN C#Cc1cnc(Cl)cc1C 95616335 166045054 /nfs/dbraw/zinc/04/50/54/166045054.db2.gz JTQIKFYQBDCWFT-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C(#C[C@@H]1CCCO1)c1ccccc1 38434074 166045071 /nfs/dbraw/zinc/04/50/71/166045071.db2.gz APTJHSQFMPBGBQ-LBPRGKRZSA-N 0 0 172.227 2.217 10 30 AEEERN C(=N/[C@H]1CCCO1)\c1ccccc1 104832658 166045897 /nfs/dbraw/zinc/04/58/97/166045897.db2.gz ILGYIOLLPGUBEE-LWMMSDEHSA-N 0 0 175.231 2.242 10 30 AEEERN C(=N/N=C/c1ccoc1)\c1ccoc1 2026987 166045916 /nfs/dbraw/zinc/04/59/16/166045916.db2.gz YUWCISMLKMGLPE-YDWXAUTNSA-N 0 0 188.186 2.326 10 30 AEEERN C/C(=C/C(=O)c1cccs1)N(C)C 95904874 166046169 /nfs/dbraw/zinc/04/61/69/166046169.db2.gz NXGSXJMLDZJGIZ-FPLPWBNLSA-N 0 0 195.287 2.396 10 30 AEEERN C/C(=C/C(=O)c1ccsc1)N(C)C 11535944 166046271 /nfs/dbraw/zinc/04/62/71/166046271.db2.gz NTUFEJJCKPNJNP-VURMDHGXSA-N 0 0 195.287 2.396 10 30 AEEERN C(=N/n1cccc1)\c1ccccc1 38823933 166046404 /nfs/dbraw/zinc/04/64/04/166046404.db2.gz JMDUMQQSLQIVJO-ZRDIBKRKSA-N 0 0 170.215 2.370 10 30 AEEERN c1ccc(N=NCc2ccco2)nc1 4421374 166046607 /nfs/dbraw/zinc/04/66/07/166046607.db2.gz AQQBIFLQQZWBQB-XYOKQWHBSA-N 0 0 187.202 2.121 10 30 AEEERN C/C(=C/C(=O)c1ccccc1)N(C)C 8729760 166046774 /nfs/dbraw/zinc/04/67/74/166046774.db2.gz RSGGMKGUTCCVDV-KTKRTIGZSA-N 0 0 189.258 2.335 10 30 AEEERN C(=Nc1cncnc1)Nc1ccccc1 89224285 166046959 /nfs/dbraw/zinc/04/69/59/166046959.db2.gz AYYRVZOBPHCAOI-UHFFFAOYSA-N 0 0 198.229 2.249 10 30 AEEERN C(=N/[C@@H]1CCCO1)\c1ccccc1 104832656 166047355 /nfs/dbraw/zinc/04/73/55/166047355.db2.gz ILGYIOLLPGUBEE-UTEVDWOZSA-N 0 0 175.231 2.242 10 30 AEEERN C(=Nc1ccccc1)c1c[nH]cn1 39133338 166047424 /nfs/dbraw/zinc/04/74/24/166047424.db2.gz BPZZWCDVJHBECL-KPKJPENVSA-N 0 0 171.203 2.160 10 30 AEEERN C(=N/c1ccccn1)\c1ccco1 13281650 166047646 /nfs/dbraw/zinc/04/76/46/166047646.db2.gz ZPETXEXCDQPGMP-XYOKQWHBSA-N 0 0 172.187 2.425 10 30 AEEERN C/C(=C/c1ccc(C#N)cc1)[N+](=O)[O-] 100464 166048231 /nfs/dbraw/zinc/04/82/31/166048231.db2.gz QUYFLWCRFTXHIO-VURMDHGXSA-N 0 0 188.186 2.196 10 30 AEEERN C/C(=C/Cl)CS 216656782 166048242 /nfs/dbraw/zinc/04/82/42/166048242.db2.gz WBQJFNSFBMQLRI-RQOWECAXSA-N 0 0 122.620 2.059 10 30 AEEERN C/C(=C/C=C/Br)CC=O 34187350 166048251 /nfs/dbraw/zinc/04/82/51/166048251.db2.gz VXUYJCMQZUURHA-BUSGPAIPSA-N 0 0 189.052 2.430 10 30 AEEERN C/C(=C/CC#N)n1cccc1 39079659 166048262 /nfs/dbraw/zinc/04/82/62/166048262.db2.gz SEPZBWFOZRHSKE-UITAMQMPSA-N 0 0 146.193 2.263 10 30 AEEERN C/C(=N/C(C)C)C(F)(F)F 91684258 166050468 /nfs/dbraw/zinc/05/04/68/166050468.db2.gz YTBBOHJDGLEWEF-YHYXMXQVSA-N 0 0 153.147 2.418 10 30 AEEERN C/C(=C\c1ccc(C#N)cc1)[N+](=O)[O-] 4709325 166050988 /nfs/dbraw/zinc/05/09/88/166050988.db2.gz QUYFLWCRFTXHIO-SOFGYWHQSA-N 0 0 188.186 2.196 10 30 AEEERN C/C(=N/O)[C@H]1C[C@@H]2C=C[C@H]1C2 101156632 166050995 /nfs/dbraw/zinc/05/09/95/166050995.db2.gz BKMAIDRLVDHVHD-YCVMMUCASA-N 0 0 151.209 2.049 10 30 AEEERN C/C(=N/O)C1CCCCC1 100385024 166051227 /nfs/dbraw/zinc/05/12/27/166051227.db2.gz NFPDMQSJCHCCKU-CLFYSBASSA-N 0 0 141.214 2.417 10 30 AEEERN C/C(=N/O)C12CCC(CC1)C2 100243549 166051357 /nfs/dbraw/zinc/05/13/57/166051357.db2.gz GNZKEJOUZMLOCJ-YFHOEESVSA-N 0 0 153.225 2.417 10 30 AEEERN C/C(=N/N)c1ccc(Cl)s1 33704657 166052108 /nfs/dbraw/zinc/05/21/08/166052108.db2.gz IWCZDQHKGFBYGB-WTKPLQERSA-N 0 0 174.656 2.084 10 30 AEEERN C/C(=N/O)[C@@H]1C[C@@H]2C=C[C@H]1C2 101156631 166052133 /nfs/dbraw/zinc/05/21/33/166052133.db2.gz BKMAIDRLVDHVHD-CGOCIWIKSA-N 0 0 151.209 2.049 10 30 AEEERN C/C(=N/O)c1cc2ccccc2[nH]1 101404012 166053018 /nfs/dbraw/zinc/05/30/18/166053018.db2.gz GPTGZLNWXWOJLP-GHXNOFRVSA-N 0 0 174.203 2.366 10 30 AEEERN C/C(=N/O)c1sccc1C 38995679 166053122 /nfs/dbraw/zinc/05/31/22/166053122.db2.gz CEOMWJPHMXLIGU-VURMDHGXSA-N 0 0 155.222 2.255 10 30 AEEERN C/C(=N/O)c1cc2ccccn2c1 108769579 166053214 /nfs/dbraw/zinc/05/32/14/166053214.db2.gz UGUPGPCJFQOGJG-FLIBITNWSA-N 0 0 174.203 2.138 10 30 AEEERN C/C(=N\O)c1ccc(C)c(C)c1O 25891 166053634 /nfs/dbraw/zinc/05/36/34/166053634.db2.gz BJYPUQWHBNZSAO-DHZHZOJOSA-N 0 0 179.219 2.207 10 30 AEEERN C/C(=N/O)c1cc(C)oc1C 105533349 166053981 /nfs/dbraw/zinc/05/39/81/166053981.db2.gz XXDVCOUNHMBQLZ-TWGQIWQCSA-N 0 0 153.181 2.095 10 30 AEEERN C/C(=N\O)c1cccc(F)c1 100672001 166054400 /nfs/dbraw/zinc/05/44/00/166054400.db2.gz FVJZWDSOLXGOIY-UXBLZVDNSA-N 0 0 153.156 2.024 10 30 AEEERN C/C(=N/O)c1ccc2[nH]ccc2c1 102455988 166054416 /nfs/dbraw/zinc/05/44/16/166054416.db2.gz OVIMWMKWQSVUSE-GHXNOFRVSA-N 0 0 174.203 2.366 10 30 AEEERN C/C(=N\C(C)C)C(F)(F)F 15440582 166054547 /nfs/dbraw/zinc/05/45/47/166054547.db2.gz YTBBOHJDGLEWEF-BJMVGYQFSA-N 0 0 153.147 2.418 10 30 AEEERN C/C(=N/O)c1cnc2sccc2c1 98092171 166054775 /nfs/dbraw/zinc/05/47/75/166054775.db2.gz AXFOQLNYKPITQM-WDZFZDKYSA-N 0 0 192.243 2.495 10 30 AEEERN C/C(=N/[O-])c1nc2ccccc2s1 45238200 166054813 /nfs/dbraw/zinc/05/48/13/166054813.db2.gz QUOJWJPDDMBMOC-WDZFZDKYSA-N 0 0 192.243 2.495 10 30 AEEERN C/C(=N\O)C12CCC(CC1)C2 12410541 166054917 /nfs/dbraw/zinc/05/49/17/166054917.db2.gz GNZKEJOUZMLOCJ-JXMROGBWSA-N 0 0 153.225 2.417 10 30 AEEERN C/C(=N\O)C1=CCCCC1 26832077 166054975 /nfs/dbraw/zinc/05/49/75/166054975.db2.gz HDBBSYGKENOSGO-VQHVLOKHSA-N 0 0 139.198 2.337 10 30 AEEERN C/C(Cc1ccc(F)cc1)=N/O 83263255 166055437 /nfs/dbraw/zinc/05/54/37/166055437.db2.gz MTIGMGPOXRUUMD-XFFZJAGNSA-N 0 0 167.183 2.218 10 30 AEEERN C/C(Cc1ccc(F)cc1)=N\O 100090930 166055525 /nfs/dbraw/zinc/05/55/25/166055525.db2.gz MTIGMGPOXRUUMD-YRNVUSSQSA-N 0 0 167.183 2.218 10 30 AEEERN C/C(Cc1ccc(C)c(O)c1)=N\O 83263180 166055570 /nfs/dbraw/zinc/05/55/70/166055570.db2.gz QYJSOHNSKGZVTR-DHZHZOJOSA-N 0 0 179.219 2.093 10 30 AEEERN C/C(=N\OC(=O)NC(C)(C)C)C1CC1 40166268 166055885 /nfs/dbraw/zinc/05/58/85/166055885.db2.gz FQTAFLMQBFNOIC-KPKJPENVSA-N 0 0 198.266 2.297 10 30 AEEERN C/C(Cc1ccccc1C)=N\O 38823439 166055951 /nfs/dbraw/zinc/05/59/51/166055951.db2.gz KTGRKULCBBJQKE-PKNBQFBNSA-N 0 0 163.220 2.388 10 30 AEEERN C/C(CCc1ccco1)=N\O 15015269 166056023 /nfs/dbraw/zinc/05/60/23/166056023.db2.gz NICPOUGTERUKHR-VQHVLOKHSA-N 0 0 153.181 2.062 10 30 AEEERN C/C(C/C(=N/O)c1ccccc1)=N\O 109428547 166056203 /nfs/dbraw/zinc/05/62/03/166056203.db2.gz MGADDLLJANVMRF-GWPDKMJPSA-N 0 0 192.218 2.105 10 30 AEEERN C/C(Cc1ccc(C)cc1)=N/O 100090908 166056244 /nfs/dbraw/zinc/05/62/44/166056244.db2.gz QENZFBIAQUGNPJ-LUAWRHEFSA-N 0 0 163.220 2.388 10 30 AEEERN C/C(Cc1cccc(F)c1)=N/O 83263170 166056276 /nfs/dbraw/zinc/05/62/76/166056276.db2.gz VELPMWVFMILSNL-XFFZJAGNSA-N 0 0 167.183 2.218 10 30 AEEERN C/C(Cc1ccccc1F)=N/O 83263119 166056627 /nfs/dbraw/zinc/05/66/27/166056627.db2.gz RJVPRCPDCBXXAL-XFFZJAGNSA-N 0 0 167.183 2.218 10 30 AEEERN C/C(Cc1cccc(F)c1)=N\O 100090856 166056865 /nfs/dbraw/zinc/05/68/65/166056865.db2.gz VELPMWVFMILSNL-YRNVUSSQSA-N 0 0 167.183 2.218 10 30 AEEERN C/C(Cc1ccccc1C)=N/O 100090806 166056976 /nfs/dbraw/zinc/05/69/76/166056976.db2.gz KTGRKULCBBJQKE-LUAWRHEFSA-N 0 0 163.220 2.388 10 30 AEEERN C/C(C/C(=N/O)c1ccccc1)=N/O 109428550 166057005 /nfs/dbraw/zinc/05/70/05/166057005.db2.gz MGADDLLJANVMRF-VALOQDKRSA-N 0 0 192.218 2.105 10 30 AEEERN C/C(CCC(C)C)=N/O 14592082 166057042 /nfs/dbraw/zinc/05/70/42/166057042.db2.gz ZVZUNLVAVHYXNI-FPLPWBNLSA-N 0 0 129.203 2.273 10 30 AEEERN C/C(Cc1c(C)cc(O)cc1C)=N\O 83263084 166057053 /nfs/dbraw/zinc/05/70/53/166057053.db2.gz QJFVEZBSPWXBQM-FMIVXFBMSA-N 0 0 193.246 2.402 10 30 AEEERN C/C(Cl)=C/CC#N 37629778 166057077 /nfs/dbraw/zinc/05/70/77/166057077.db2.gz KCXHDHNSMWGMLM-HYXAFXHYSA-N 0 0 115.563 2.043 10 30 AEEERN C/C(Cc1ccc(C)cc1)=N\O 83263224 166057109 /nfs/dbraw/zinc/05/71/09/166057109.db2.gz QENZFBIAQUGNPJ-PKNBQFBNSA-N 0 0 163.220 2.388 10 30 AEEERN C/C(Cc1ccc(C)c(O)c1)=N/O 100090861 166057160 /nfs/dbraw/zinc/05/71/60/166057160.db2.gz QYJSOHNSKGZVTR-FLIBITNWSA-N 0 0 179.219 2.093 10 30 AEEERN CC(N)=C1CCCCCCC1=O 106395691 166058291 /nfs/dbraw/zinc/05/82/91/166058291.db2.gz SMCZATXLZPMGEZ-CMDGGOBGSA-N 0 0 167.252 2.142 10 30 AEEERN C/C=C(\CCC)C(C)=O 39068175 166058821 /nfs/dbraw/zinc/05/88/21/166058821.db2.gz WCVGTSCPVYFPRG-VMPITWQZSA-N 0 0 126.199 2.322 10 30 AEEERN C/C=C(\C)C(=O)C1=CCCCO1 100198316 166058870 /nfs/dbraw/zinc/05/88/70/166058870.db2.gz OGMYCWZEBQQBNL-FPYGCLRLSA-N 0 0 166.220 2.216 10 30 AEEERN C/C=C(\CC)[C@@H](C)C=O 75522147 166059593 /nfs/dbraw/zinc/05/95/93/166059593.db2.gz PKDKOBHUELTSRH-PUSOHNNWSA-N 0 0 126.199 2.178 10 30 AEEERN C/C=C(\CC)[C@H](C)C=O 105575290 166060176 /nfs/dbraw/zinc/06/01/76/166060176.db2.gz PKDKOBHUELTSRH-VKDKVYATSA-N 0 0 126.199 2.178 10 30 AEEERN C/C=C/C=C/CCCC=O 33820564 166060759 /nfs/dbraw/zinc/06/07/59/166060759.db2.gz XBRSZJRHOMYFTA-MQQKCMAXSA-N 0 0 138.210 2.488 10 30 AEEERN C/C=C/C1=C(C)C(=O)CC1 256166103 166060809 /nfs/dbraw/zinc/06/08/09/166060809.db2.gz WBFDEXUTYJDNAA-ONEGZZNKSA-N 0 0 136.194 2.242 10 30 AEEERN C/C=C/C=N/[S@](=O)C(C)(C)C 34582944 166060831 /nfs/dbraw/zinc/06/08/31/166060831.db2.gz FMFUYXIGXKIMED-UWLSLXEUSA-N 0 0 173.281 2.096 10 30 AEEERN C/C=C/C=C/C(=O)C1=CCCCO1 34484487 166060921 /nfs/dbraw/zinc/06/09/21/166060921.db2.gz IMDDKGVZPSXZHD-AOGGBPEJSA-N 0 0 178.231 2.382 10 30 AEEERN C/C=C/C=C/C=C\C(C)=O 5179195 166060960 /nfs/dbraw/zinc/06/09/60/166060960.db2.gz YHVZVLYNHHTMSL-CQXHLCGLSA-N 0 0 136.194 2.264 10 30 AEEERN C/C=C/[C@@H]1CC=CC[C@@H]1C=O 75538829 166064804 /nfs/dbraw/zinc/06/48/04/166064804.db2.gz MGIQAPUZWNNIFJ-CNZCLXAMSA-N 0 0 150.221 2.344 10 30 AEEERN C/C=C/[C@H](C#N)CC 75517828 166064975 /nfs/dbraw/zinc/06/49/75/166064975.db2.gz LHQDJIMAJJRWFW-OHCKJTPYSA-N 0 0 109.172 2.112 10 30 AEEERN C/C=C/[C@H]1CC(C(C)=O)=C(C)O1 39271900 166065122 /nfs/dbraw/zinc/06/51/22/166065122.db2.gz RTAZVRNNHKEHFZ-MOVJSRMASA-N 0 0 166.220 2.214 10 30 AEEERN C/C=C/[C@@H]1CC=CC[C@H]1C=O 75538835 166065368 /nfs/dbraw/zinc/06/53/68/166065368.db2.gz MGIQAPUZWNNIFJ-VYXGOUPGSA-N 0 0 150.221 2.344 10 30 AEEERN C/C=C/[C@H]1CC=CC[C@@H]1C=O 75538831 166065391 /nfs/dbraw/zinc/06/53/91/166065391.db2.gz MGIQAPUZWNNIFJ-QOHYJFSASA-N 0 0 150.221 2.344 10 30 AEEERN C/C=C/[C@H]1CC=CC[C@H]1C=O 75538838 166065395 /nfs/dbraw/zinc/06/53/95/166065395.db2.gz MGIQAPUZWNNIFJ-PSJTYZLDSA-N 0 0 150.221 2.344 10 30 AEEERN C/C=C/[C@@H](C#N)CC 75517823 166065730 /nfs/dbraw/zinc/06/57/30/166065730.db2.gz LHQDJIMAJJRWFW-MZTFZBDOSA-N 0 0 109.172 2.112 10 30 AEEERN C/C=C/[C@@H]1CC(=O)C2=C1CCCO2 100198975 166065867 /nfs/dbraw/zinc/06/58/67/166065867.db2.gz SEEKJHDGWQCHHH-BYDTYLDUSA-N 0 0 178.231 2.216 10 30 AEEERN C/C=C/[C@H]1CC(=O)C2=C1CCCO2 90628857 166065994 /nfs/dbraw/zinc/06/59/94/166065994.db2.gz SEEKJHDGWQCHHH-KHVHVRLGSA-N 0 0 178.231 2.216 10 30 AEEERN C/C=C1/C(=O)CCC[C@H]1C 62715381 166066354 /nfs/dbraw/zinc/06/63/54/166066354.db2.gz TXYWXCKYBSTYDF-KOERYYGSSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C1/C(=O)CCC[C@@H]1C 62715383 166066531 /nfs/dbraw/zinc/06/65/31/166066531.db2.gz TXYWXCKYBSTYDF-TWGKFFBLSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C1\C(=O)CCC[C@@H]1C 104837784 166066701 /nfs/dbraw/zinc/06/67/01/166066701.db2.gz TXYWXCKYBSTYDF-UGWYQVJNSA-N 0 0 138.210 2.322 10 30 AEEERN CC=C1CCC=CCC1=O 23716168 166067358 /nfs/dbraw/zinc/06/73/58/166067358.db2.gz QHZJSCLVSOEAHC-WAPJZHGLSA-N 0 0 136.194 2.242 10 30 AEEERN C/C=C/c1cccc(C#N)c1N 34303306 166067613 /nfs/dbraw/zinc/06/76/13/166067613.db2.gz WDLULBVOCYXQAH-DUXPYHPUSA-N 0 0 158.204 2.174 10 30 AEEERN C/C=C1\C(=O)CCC[C@H]1C 104837780 166067733 /nfs/dbraw/zinc/06/77/33/166067733.db2.gz TXYWXCKYBSTYDF-KVNNJZLQSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C\C(=O)c1ccc(OC)cc1 23477784 166068233 /nfs/dbraw/zinc/06/82/33/166068233.db2.gz HIRLSMKURCRARB-ARJAWSKDSA-N 0 0 176.215 2.454 10 30 AEEERN C/C=C\C=C\C1=C(C)[C@@H](OC)CC1=O 39112205 166068624 /nfs/dbraw/zinc/06/86/24/166068624.db2.gz YLCJPHIZZJHRKU-OQDTZETLSA-N 0 0 192.258 2.423 10 30 AEEERN C/N=C(/C)Oc1ccccc1 3650696 166068970 /nfs/dbraw/zinc/06/89/70/166068970.db2.gz HIZIUOZOZUJSBQ-NTMALXAHSA-N 0 0 149.193 2.114 10 30 AEEERN C/N=C(/SC)c1ccccc1 32153150 166069113 /nfs/dbraw/zinc/06/91/13/166069113.db2.gz PCHKPGSXUAGLCS-MDZDMXLPSA-N 0 0 165.261 2.426 10 30 AEEERN CC=Nc1ccc2c[nH]nc2c1 39407202 166069154 /nfs/dbraw/zinc/06/91/54/166069154.db2.gz MBEFFMWAHOJYIV-WTDSWWLTSA-N 0 0 159.192 2.285 10 30 AEEERN C/C=N\c1cnc2ccccn12 39081339 166069162 /nfs/dbraw/zinc/06/91/62/166069162.db2.gz MZXMZGOZALCJTF-SGAXSIHGSA-N 0 0 159.192 2.057 10 30 AEEERN C/N=C(\C)Oc1ccccc1 100411826 166069655 /nfs/dbraw/zinc/06/96/55/166069655.db2.gz HIZIUOZOZUJSBQ-CSKARUKUSA-N 0 0 149.193 2.114 10 30 AEEERN CN=C(Cl)Nc1ccccc1 2535821 166069938 /nfs/dbraw/zinc/06/99/38/166069938.db2.gz MHRSHBOPHUFJFI-UHFFFAOYSA-N 0 0 168.627 2.323 10 30 AEEERN C/C=C\[C@H]1CC=CC[C@H]1C=O 39061946 166070160 /nfs/dbraw/zinc/07/01/60/166070160.db2.gz MGIQAPUZWNNIFJ-UVIRMYHISA-N 0 0 150.221 2.344 10 30 AEEERN C/N=C(\Cl)c1ccccc1 22112804 166070485 /nfs/dbraw/zinc/07/04/85/166070485.db2.gz KFVKPSOJAAJVSR-NTMALXAHSA-N 0 0 153.612 2.302 10 30 AEEERN C/C=C\[C@H]1CC(=O)C2=C1CCCO2 90628858 166070725 /nfs/dbraw/zinc/07/07/25/166070725.db2.gz SEEKJHDGWQCHHH-LTMVXPGCSA-N 0 0 178.231 2.216 10 30 AEEERN C/N=C\c1ccccc1Br 105796567 166071068 /nfs/dbraw/zinc/07/10/68/166071068.db2.gz OUGRBUKXNUHZFX-POHAHGRESA-N 0 0 198.063 2.498 10 30 AEEERN C/N=C\c1cc([N+](=O)[O-])ccc1Cl 100944915 166072133 /nfs/dbraw/zinc/07/21/33/166072133.db2.gz RIMIXPUTYBDXJY-YHYXMXQVSA-N 0 0 198.609 2.297 10 30 AEEERN CN=CNc1ccccc1Cl 29476937 166072369 /nfs/dbraw/zinc/07/23/69/166072369.db2.gz XUQNBERMVDLUIF-UHFFFAOYSA-N 0 0 168.627 2.410 10 30 AEEERN C1=CCC(CC[C@H]2CO2)=CC1 34582523 166074614 /nfs/dbraw/zinc/07/46/14/166074614.db2.gz HPDMAIXTYVLJIP-JTQLQIEISA-N 0 0 150.221 2.442 10 30 AEEERN C1=CCC(CC[C@@H]2CO2)=CC1 34582520 166075052 /nfs/dbraw/zinc/07/50/52/166075052.db2.gz HPDMAIXTYVLJIP-SNVBAGLBSA-N 0 0 150.221 2.442 10 30 AEEERN C1=C[C@@H]2O[C@@H]2c2ccccc21 6117172 166077653 /nfs/dbraw/zinc/07/76/53/166077653.db2.gz XQIJIALOJPIKGX-VHSXEESVSA-N 0 0 144.173 2.153 10 30 endogenous,in-man AEEERN C1=Cc2cccc(OC[C@H]3CO3)c2C1 39276218 166079167 /nfs/dbraw/zinc/07/91/67/166079167.db2.gz AXHFKRWTQUZIAL-SNVBAGLBSA-N 0 0 188.226 2.034 10 30 AEEERN C1=C[C@H]2O[C@H]2c2ccccc21 6117171 166079572 /nfs/dbraw/zinc/07/95/72/166079572.db2.gz XQIJIALOJPIKGX-ZJUUUORDSA-N 0 0 144.173 2.153 10 30 endogenous,in-man AEEERN C1=Cc2cccc(OC[C@@H]3CO3)c2C1 39276216 166079590 /nfs/dbraw/zinc/07/95/90/166079590.db2.gz AXHFKRWTQUZIAL-JTQLQIEISA-N 0 0 188.226 2.034 10 30 AEEERN C1CCC(C[C@H]2CO2)CC1 18855691 166088147 /nfs/dbraw/zinc/08/81/47/166088147.db2.gz NQJNUYZIKYERSC-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN C1CCC(C[C@@H]2CO2)CC1 18855689 166088668 /nfs/dbraw/zinc/08/86/68/166088668.db2.gz NQJNUYZIKYERSC-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN C1CCCC(OC[C@H]2CO2)CC1 40227984 166088921 /nfs/dbraw/zinc/08/89/21/166088921.db2.gz ISSMXVJALXTFKK-JTQLQIEISA-N 0 0 170.252 2.125 10 30 AEEERN C1CCCC(OC[C@@H]2CO2)CC1 40227983 166089225 /nfs/dbraw/zinc/08/92/25/166089225.db2.gz ISSMXVJALXTFKK-SNVBAGLBSA-N 0 0 170.252 2.125 10 30 AEEERN C1CCC(SC[C@H]2CO2)CC1 37685864 166089262 /nfs/dbraw/zinc/08/92/62/166089262.db2.gz DBGLJLJEKJZHCK-MRVPVSSYSA-N 0 0 172.293 2.451 10 30 AEEERN C1CCC2(C1)CCC[C@H]1O[C@H]12 39111557 166089634 /nfs/dbraw/zinc/08/96/34/166089634.db2.gz ITWRCBWVHHVKEU-RKDXNWHRSA-N 0 0 152.237 2.498 10 30 AEEERN C1CCCC2(CCC1)CO2 39326027 166090361 /nfs/dbraw/zinc/09/03/61/166090361.db2.gz BGJYHEFBQRQPTM-UHFFFAOYSA-N 0 0 140.226 2.500 10 30 AEEERN C1C[C@@H]([C@@H]2CC[C@H]3O[C@H]3C2)C[C@H]2O[C@@H]12 255966659 166102805 /nfs/dbraw/zinc/10/28/05/166102805.db2.gz CFXPUPHOOWUQRH-UFVWWTPHSA-N 0 0 194.274 2.121 10 30 AEEERN C1C[C@]23C[C@@H]4O[C@@H]4C[C@@]2(C1)C3 43761769 166109707 /nfs/dbraw/zinc/10/97/07/166109707.db2.gz COPAILKXPZGGGY-FIRGSJFUSA-N 0 0 150.221 2.108 10 30 AEEERN C=C(/C=C/C(C)C)C(C)=O 39068897 166110659 /nfs/dbraw/zinc/11/06/59/166110659.db2.gz OJMWHSZKNJVROS-AATRIKPKSA-N 0 0 138.210 2.344 10 30 AEEERN C=C(/C=C/C=C(C)C)[C@H](C)O 6020017 166110681 /nfs/dbraw/zinc/11/06/81/166110681.db2.gz SHWZGIXBGZQLQQ-STUBTGCMSA-N 0 0 152.237 2.446 10 30 AEEERN C=C(/C=N\O)c1ccc(OC)cc1 39089975 166110771 /nfs/dbraw/zinc/11/07/71/166110771.db2.gz VJYMSHKHEKKQSS-XFFZJAGNSA-N 0 0 177.203 2.168 10 30 AEEERN C=C(/C=N\CCCC)OC 106390324 166110838 /nfs/dbraw/zinc/11/08/38/166110838.db2.gz SYMGPSVPGXLLNH-CLFYSBASSA-N 0 0 141.214 2.017 10 30 AEEERN C=C(/C=C/CC)C(C)=O 39068143 166110898 /nfs/dbraw/zinc/11/08/98/166110898.db2.gz RRFSBHXDEDGGBC-AATRIKPKSA-N 0 0 124.183 2.098 10 30 AEEERN C=C(C(N)=O)C(C)(C)CC(C)(C)C 113228169 166111528 /nfs/dbraw/zinc/11/15/28/166111528.db2.gz XKWFZGCWEYYGSK-UHFFFAOYSA-N 0 0 183.295 2.490 10 30 AEEERN C=C(C)/C(C)=C/C(C)=O 100217359 166111721 /nfs/dbraw/zinc/11/17/21/166111721.db2.gz CGBLVMKFHRACGZ-FNORWQNLSA-N 0 0 124.183 2.098 10 30 AEEERN C=C(C)/C=C(/C)C(C)=O 39068145 166111763 /nfs/dbraw/zinc/11/17/63/166111763.db2.gz LLJFBISETFUUPB-ALCCZGGFSA-N 0 0 124.183 2.098 10 30 AEEERN C=C(C)/C=C/CCCC=O 75526500 166111895 /nfs/dbraw/zinc/11/18/95/166111895.db2.gz ZWMSZRPQYGREHB-FNORWQNLSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C(C)=O)C(=O)c1ccccc1 62718559 166112084 /nfs/dbraw/zinc/11/20/84/166112084.db2.gz QVAZCOROEAVHOE-UHFFFAOYSA-N 0 0 174.199 2.015 10 30 AEEERN C=C(C)/C=C/CCC(C)=O 39068909 166112656 /nfs/dbraw/zinc/11/26/56/166112656.db2.gz DDNANWULHZXPTF-GQCTYLIASA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C)C(=O)c1cccc(OC)c1 71497003 166113469 /nfs/dbraw/zinc/11/34/69/166113469.db2.gz BFZSNOGPLIZMBT-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=C(C)C/C=C1/CCC(=O)O1 104845580 166113473 /nfs/dbraw/zinc/11/34/73/166113473.db2.gz FKXCGTGSMDQUHV-YWEYNIOJSA-N 0 0 152.193 2.174 10 30 AEEERN C=C(C)C(C)(C)N(O)C(=O)CCC 39126392 166113527 /nfs/dbraw/zinc/11/35/27/166113527.db2.gz BALCAMINFGYZDG-UHFFFAOYSA-N 0 0 185.267 2.359 10 30 AEEERN C=C(C)C(=O)Nc1cc(C)ccc1O 20983910 166113800 /nfs/dbraw/zinc/11/38/00/166113800.db2.gz AVHHUVNPUFNQOF-UHFFFAOYSA-N 0 0 191.230 2.215 10 30 AEEERN C=C(C)C(=O)c1ccccc1OC 71497000 166114131 /nfs/dbraw/zinc/11/41/31/166114131.db2.gz BQYXTUXXDNQVKI-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=C(C)C1CCC(CO)CC1 14588986 166114333 /nfs/dbraw/zinc/11/43/33/166114333.db2.gz GMYHXOPIKMGWOM-UHFFFAOYSA-N 0 0 154.253 2.361 10 30 endogenous,in-man AEEERN CC(C)=C1CC[C@@H](C)C(=O)C1=O 105334451 166114336 /nfs/dbraw/zinc/11/43/36/166114336.db2.gz NEHZUBDOYHQGFX-SSDOTTSWSA-N 0 0 166.220 2.374 10 30 AEEERN CC(C)=C1CC[C@H](C)C(=O)C1=O 14487904 166114430 /nfs/dbraw/zinc/11/44/30/166114430.db2.gz NEHZUBDOYHQGFX-ZETCQYMHSA-N 0 0 166.220 2.374 10 30 AEEERN C=C(C)C(=O)c1ccc(OC)cc1 8682280 166114437 /nfs/dbraw/zinc/11/44/37/166114437.db2.gz SLINAHDDDUJVFL-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=C(C)C(=O)c1cn2ccccc2n1 89200941 166114506 /nfs/dbraw/zinc/11/45/06/166114506.db2.gz JBCKFYVIXVUXJO-UHFFFAOYSA-N 0 0 186.214 2.093 10 30 AEEERN C=C(C)C(=O)Oc1ccc(C)cc1 5781504 166114532 /nfs/dbraw/zinc/11/45/32/166114532.db2.gz AOUAMFARIYTDLK-UHFFFAOYSA-N 0 0 176.215 2.477 10 30 AEEERN C=C(C)C(=O)O[C@@H]1CCCC[C@H]1C#N 39090465 166114580 /nfs/dbraw/zinc/11/45/80/166114580.db2.gz HDDWVENSCRWGOW-VHSXEESVSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(C)C1CCC(=O)CC1 32214670 166114634 /nfs/dbraw/zinc/11/46/34/166114634.db2.gz YQMUZRNPCVSBEH-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C(=O)c1ccco1 29311264 166114759 /nfs/dbraw/zinc/11/47/59/166114759.db2.gz HWCHHYSIVLBULK-UHFFFAOYSA-N 0 0 136.150 2.038 10 30 AEEERN C=C(C)C(=O)O[C@H]1CCCC[C@@H]1C#N 39090464 166114781 /nfs/dbraw/zinc/11/47/81/166114781.db2.gz HDDWVENSCRWGOW-ZJUUUORDSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(C)C(=O)O[C@H]1CCCC[C@H]1C#N 39090466 166114793 /nfs/dbraw/zinc/11/47/93/166114793.db2.gz HDDWVENSCRWGOW-UWVGGRQHSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(C)C(=O)O[C@H](C)C(C)C 39363490 166114816 /nfs/dbraw/zinc/11/48/16/166114816.db2.gz ZGUPKZJFJJPUGQ-MRVPVSSYSA-N 0 0 156.225 2.150 10 30 AEEERN C=C(C)C1=CC(C)(C)C[C@@H]1O 39059410 166114847 /nfs/dbraw/zinc/11/48/47/166114847.db2.gz IBGMKPRJTSZWBO-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C(O)(CC)CC 86018356 166115036 /nfs/dbraw/zinc/11/50/36/166115036.db2.gz BAOTXSZKOXOEDV-UHFFFAOYSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(C)C/C(C)=C\C(C)=O 100218600 166115136 /nfs/dbraw/zinc/11/51/36/166115136.db2.gz JBNFORSKOSTWSB-VURMDHGXSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C)C(=O)O[C@@H]1CCCC[C@@H]1C#N 39090463 166115139 /nfs/dbraw/zinc/11/51/39/166115139.db2.gz HDDWVENSCRWGOW-NXEZZACHSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(C)C(=O)O[C@@H](C)C(C)C 2571978 166115254 /nfs/dbraw/zinc/11/52/54/166115254.db2.gz ZGUPKZJFJJPUGQ-QMMMGPOBSA-N 0 0 156.225 2.150 10 30 AEEERN C=C(C)C(=O)n1cnc2ccccc21 82255301 166115275 /nfs/dbraw/zinc/11/52/75/166115275.db2.gz NITXBDRASSIKKD-UHFFFAOYSA-N 0 0 186.214 2.253 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1CCCCO1 335150337 166115350 /nfs/dbraw/zinc/11/53/50/166115350.db2.gz CZLJHTNMJZUXIY-UHFFFAOYSA-N 0 0 197.278 2.143 10 30 AEEERN C=C(C)C(=O)OCC=C(C)C 2572381 166115358 /nfs/dbraw/zinc/11/53/58/166115358.db2.gz GWIGJOZTEYRLPM-UHFFFAOYSA-N 0 0 154.209 2.072 10 30 AEEERN C=C(C)C(C(C)=O)=C(C)C 39068912 166115474 /nfs/dbraw/zinc/11/54/74/166115474.db2.gz XQQGHMBALNEQIE-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C)C1(CCC)OCCO1 196435157 166115534 /nfs/dbraw/zinc/11/55/34/166115534.db2.gz CPRNYHRGYWSZRV-UHFFFAOYSA-N 0 0 156.225 2.106 10 30 AEEERN C=C(C)CCOC(=O)C=C(C)C 5158499 166116005 /nfs/dbraw/zinc/11/60/05/166116005.db2.gz GRTNNHGFEQUXEO-UHFFFAOYSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(C)CC(=O)c1cccnc1 71495663 166116154 /nfs/dbraw/zinc/11/61/54/166116154.db2.gz BCUGDDWAFDXVAO-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C=C(C)CN(C)C(=O)c1occc1C 334140552 166116269 /nfs/dbraw/zinc/11/62/69/166116269.db2.gz HELPZHXJBUVIHE-UHFFFAOYSA-N 0 0 193.246 2.236 10 30 AEEERN CC(C)=CC(=O)c1ccco1 39642008 166116272 /nfs/dbraw/zinc/11/62/72/166116272.db2.gz JDJHDFLCRIBGLP-UHFFFAOYSA-N 0 0 150.177 2.429 10 30 AEEERN C=C(C)CN(C)C(=O)N[C@@H]1CC[C@H]1C 336483474 166116291 /nfs/dbraw/zinc/11/62/91/166116291.db2.gz BFJZGODZNRGFCA-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CC(=O)c1ccccn1 71495662 166116302 /nfs/dbraw/zinc/11/63/02/166116302.db2.gz SLUYMVNPNAIRPH-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C=C(C)CCCC1OCCO1 43502443 166116312 /nfs/dbraw/zinc/11/63/12/166116312.db2.gz QAXPSBXWNSQNRJ-UHFFFAOYSA-N 0 0 156.225 2.106 10 30 AEEERN C=C(C)CN(C)C(=O)N[C@@H]1CC[C@@H]1C 336483476 166116393 /nfs/dbraw/zinc/11/63/93/166116393.db2.gz BFJZGODZNRGFCA-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CCC[C@H](C)CO 6020522 166116418 /nfs/dbraw/zinc/11/64/18/166116418.db2.gz GUIBQTSZYLPXBH-VIFPVBQESA-N 0 0 142.242 2.361 10 30 endogenous,in-man AEEERN C=C(C)CC(=S)N1CCCC1 39124594 166116490 /nfs/dbraw/zinc/11/64/90/166116490.db2.gz FNNWAWGGEKRXDS-UHFFFAOYSA-N 0 0 169.293 2.376 10 30 AEEERN C=C(C)CC(C)(C)OC(C)=O 17412679 166116517 /nfs/dbraw/zinc/11/65/17/166116517.db2.gz BVMFEKSHZFWYDB-UHFFFAOYSA-N 0 0 156.225 2.294 10 30 AEEERN C=C(C)CC1(O)CCCC1 38337941 166116590 /nfs/dbraw/zinc/11/65/90/166116590.db2.gz JFJZPWKBFAKXTO-UHFFFAOYSA-N 0 0 140.226 2.258 10 30 AEEERN C=C(C)CCC(=O)CC 36683772 166116630 /nfs/dbraw/zinc/11/66/30/166116630.db2.gz WELSHTLLGUXPLG-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(C)CC[C@@H](O)C(C)C 43657881 166116697 /nfs/dbraw/zinc/11/66/97/166116697.db2.gz YLVWRIQBFAIGMJ-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)CC[N@H+]1C[C@@H](C)OC[C@@H]1C 306511204 166116732 /nfs/dbraw/zinc/11/67/32/166116732.db2.gz MMDWVIWHIBQHMY-WDEREUQCSA-N 0 0 183.295 2.062 10 30 AEEERN C=C(C)CCCC(C)=O 5158286 166116770 /nfs/dbraw/zinc/11/67/70/166116770.db2.gz FMCHGBFGIKQNCT-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(C)CC[C@@H](O)CC 43657689 166116804 /nfs/dbraw/zinc/11/68/04/166116804.db2.gz GHCUWSCECQAVAW-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(C)CN(C)c1ccc(F)cn1 307687793 166116812 /nfs/dbraw/zinc/11/68/12/166116812.db2.gz FGEWXBPRXOCDJV-UHFFFAOYSA-N 0 0 180.226 2.233 10 30 AEEERN C=C(C)CC[C@H](C)C=O 34156056 166116854 /nfs/dbraw/zinc/11/68/54/166116854.db2.gz PBNFMHHHVZJQLF-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)CC[N@H+]1C[C@H](C)OC[C@@H]1C 306511203 166116899 /nfs/dbraw/zinc/11/68/99/166116899.db2.gz MMDWVIWHIBQHMY-QWRGUYRKSA-N 0 0 183.295 2.062 10 30 AEEERN C=C(C)CCC[C@@H](C)CO 6036299 166116937 /nfs/dbraw/zinc/11/69/37/166116937.db2.gz GUIBQTSZYLPXBH-SECBINFHSA-N 0 0 142.242 2.361 10 30 endogenous,in-man AEEERN C=C(C)CC[C@@H](C)C=O 34156057 166116964 /nfs/dbraw/zinc/11/69/64/166116964.db2.gz PBNFMHHHVZJQLF-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)CC[N@H+]1C[C@H](C)OC[C@H]1C 306511202 166116972 /nfs/dbraw/zinc/11/69/72/166116972.db2.gz MMDWVIWHIBQHMY-MNOVXSKESA-N 0 0 183.295 2.062 10 30 AEEERN C=C(C)CCCCC1OCCO1 43502451 166117018 /nfs/dbraw/zinc/11/70/18/166117018.db2.gz BWSUYTRLTQKUAV-UHFFFAOYSA-N 0 0 170.252 2.496 10 30 AEEERN C=C(C)CC(=O)c1ccncc1 71495664 166117035 /nfs/dbraw/zinc/11/70/35/166117035.db2.gz YZDWUQFQNICZLZ-UHFFFAOYSA-N 0 0 161.204 2.231 10 30 AEEERN C=C(C)CN(C)C(=O)N[C@H]1CC[C@H]1C 336483477 166117084 /nfs/dbraw/zinc/11/70/84/166117084.db2.gz BFJZGODZNRGFCA-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CC[C@H](O)C(C)C 43657883 166117237 /nfs/dbraw/zinc/11/72/37/166117237.db2.gz YLVWRIQBFAIGMJ-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)CC[N@@H+]1CCOC2(CCC2)C1 334227106 166117267 /nfs/dbraw/zinc/11/72/67/166117267.db2.gz BECIDRQWKZKRLB-UHFFFAOYSA-N 0 0 195.306 2.208 10 30 AEEERN C=C(C)CC[N@H+]1C[C@@H](C)OC[C@H]1C 306511201 166117591 /nfs/dbraw/zinc/11/75/91/166117591.db2.gz MMDWVIWHIBQHMY-GHMZBOCLSA-N 0 0 183.295 2.062 10 30 AEEERN C=C(C)CCCC1(C)OCCO1 44491487 166117733 /nfs/dbraw/zinc/11/77/33/166117733.db2.gz VZUGAJIKBVMJFY-UHFFFAOYSA-N 0 0 170.252 2.496 10 30 AEEERN C=C(C)CN(C)C(=O)N[C@H]1CC[C@@H]1C 336483475 166117945 /nfs/dbraw/zinc/11/79/45/166117945.db2.gz BFJZGODZNRGFCA-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CC[C@H](O)CC 2508086 166117991 /nfs/dbraw/zinc/11/79/91/166117991.db2.gz GHCUWSCECQAVAW-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(C)CC[C@@H]1COC(C)(C)O1 43502429 166118087 /nfs/dbraw/zinc/11/80/87/166118087.db2.gz ZVORYMMTHRJQTN-SECBINFHSA-N 0 0 170.252 2.494 10 30 AEEERN C=C(C)CN(CC)c1ccc(C=O)o1 50544106 166118709 /nfs/dbraw/zinc/11/87/09/166118709.db2.gz MIOGZLQSDGPZMO-UHFFFAOYSA-N 0 0 193.246 2.495 10 30 AEEERN C=C(C)CNC(=O)NC1CCCCC1 160651842 166119508 /nfs/dbraw/zinc/11/95/08/166119508.db2.gz DZTOUVUHSYDZOI-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=C(C)CNC(=O)Oc1ccccc1 66252065 166121158 /nfs/dbraw/zinc/12/11/58/166121158.db2.gz CAIXXQZOCGMPDQ-UHFFFAOYSA-N 0 0 191.230 2.351 10 30 AEEERN C=C(C)CN(CCC#N)C(C)C 42530738 166121211 /nfs/dbraw/zinc/12/12/11/166121211.db2.gz HEAGWKJKABMDCQ-UHFFFAOYSA-N 0 0 166.268 2.187 10 30 AEEERN C=C(C)CN(CC)C(=O)OCC 70224197 166121487 /nfs/dbraw/zinc/12/14/87/166121487.db2.gz MIEINIFBMKAVSE-UHFFFAOYSA-N 0 0 171.240 2.041 10 30 AEEERN C=C(C)CNc1ccccn1 39051492 166123426 /nfs/dbraw/zinc/12/34/26/166123426.db2.gz BMZHCORRDXJHIC-UHFFFAOYSA-N 0 0 148.209 2.070 10 30 AEEERN C=C(C)CNc1ccc(OC)nc1 51753243 166123447 /nfs/dbraw/zinc/12/34/47/166123447.db2.gz AZEALVOVARLAHC-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN C=C(C)COC1=CC(=O)CCC1 39119326 166123657 /nfs/dbraw/zinc/12/36/57/166123657.db2.gz KOGTYQSFOUSXKQ-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C(C)C[C@@H](O)[C@H](C)CC 2563450 166124399 /nfs/dbraw/zinc/12/43/99/166124399.db2.gz HMCCHLPSTZQUPB-RKDXNWHRSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)C[C@H]1C=CCC[C@H]1O 39059390 166124407 /nfs/dbraw/zinc/12/44/07/166124407.db2.gz LVMVFQLJFFLULL-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C[C@H](CC)[C@H](C)O 43656863 166124427 /nfs/dbraw/zinc/12/44/27/166124427.db2.gz NRTPYOKXWDJGKW-IUCAKERBSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)C[C@@H]1CCC[C@@H]1O 43655814 166124446 /nfs/dbraw/zinc/12/44/46/166124446.db2.gz XOEWEBSMHCLWDA-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)Cc1c(C)noc1C 39112844 166124450 /nfs/dbraw/zinc/12/44/50/166124450.db2.gz VSNRWFMSFPLUFA-UHFFFAOYSA-N 0 0 151.209 2.410 10 30 AEEERN C=C(C)C[C@H](O)C(C)(C)C 33641452 166124484 /nfs/dbraw/zinc/12/44/84/166124484.db2.gz CMNRBZWIXOEPQI-QMMMGPOBSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)C[C@H]1CCC[C@@H]1O 43655816 166124495 /nfs/dbraw/zinc/12/44/95/166124495.db2.gz XOEWEBSMHCLWDA-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)C[C@@H](C)C(C)=O 37947230 166124558 /nfs/dbraw/zinc/12/45/58/166124558.db2.gz NSAZVQBDLMVTOQ-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)COc1cccc(O)c1 36896985 166124598 /nfs/dbraw/zinc/12/45/98/166124598.db2.gz GTWVCAKSCBUILN-UHFFFAOYSA-N 0 0 164.204 2.347 10 30 AEEERN C=C(C)COc1cccnc1C 306332021 166124658 /nfs/dbraw/zinc/12/46/58/166124658.db2.gz DEJUZDNWRRETAZ-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN C=C(C)C[C@H](C)C(C)=O 37947229 166124706 /nfs/dbraw/zinc/12/47/06/166124706.db2.gz NSAZVQBDLMVTOQ-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)C[C@H](O)CC(F)(F)F 17408797 166124815 /nfs/dbraw/zinc/12/48/15/166124815.db2.gz AQYGSDFXLIJVCE-LURJTMIESA-N 0 0 168.158 2.266 10 30 AEEERN C=C(C)CO[C@@H]1CCCCO1 1636241 166124856 /nfs/dbraw/zinc/12/48/56/166124856.db2.gz WEINLSIXIYLFET-SECBINFHSA-N 0 0 156.225 2.106 10 30 AEEERN C=C(C)C[C@@H]1C=CCC[C@H]1O 39059389 166124890 /nfs/dbraw/zinc/12/48/90/166124890.db2.gz LVMVFQLJFFLULL-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C[C@H](C)CC=O 34075395 166124947 /nfs/dbraw/zinc/12/49/47/166124947.db2.gz UPUNRENWKQNARL-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)C[C@H](CC)[C@@H](C)O 43656859 166124979 /nfs/dbraw/zinc/12/49/79/166124979.db2.gz NRTPYOKXWDJGKW-BDAKNGLRSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)COc1ccncc1 307308477 166125130 /nfs/dbraw/zinc/12/51/30/166125130.db2.gz AETFYWHSQWPTPO-UHFFFAOYSA-N 0 0 149.193 2.037 10 30 AEEERN C=C(C)C[C@@H](O)C(C)(C)C 33641453 166125224 /nfs/dbraw/zinc/12/52/24/166125224.db2.gz CMNRBZWIXOEPQI-MRVPVSSYSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)C[C@@H](C)CC=O 75522314 166125266 /nfs/dbraw/zinc/12/52/66/166125266.db2.gz UPUNRENWKQNARL-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)C[C@]1(O)CC=CCC1 39059392 166125280 /nfs/dbraw/zinc/12/52/80/166125280.db2.gz YTCAGHFIXVRLTQ-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN C=C(C)C[C@H](O)CCC 39234457 166125290 /nfs/dbraw/zinc/12/52/90/166125290.db2.gz GTKURIOOHVCNCH-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(C)C[C@H]1CCC[C@H]1O 43655819 166125314 /nfs/dbraw/zinc/12/53/14/166125314.db2.gz XOEWEBSMHCLWDA-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)C[C@@H](CC)[C@H](C)O 43656865 166125315 /nfs/dbraw/zinc/12/53/15/166125315.db2.gz NRTPYOKXWDJGKW-DTWKUNHWSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)C[C@@]1(C)CC(=O)C(C)=CC1=O 62720033 166125334 /nfs/dbraw/zinc/12/53/34/166125334.db2.gz SCYMUAZAUZMZRM-LBPRGKRZSA-N 0 0 192.258 2.447 10 30 AEEERN C=C(C)COc1ccc(F)cc1N 41201576 166125449 /nfs/dbraw/zinc/12/54/49/166125449.db2.gz FWIGXHDAQLILON-UHFFFAOYSA-N 0 0 181.210 2.363 10 30 AEEERN C=C(C)C[C@H](O)CC(C)C 39411619 166125551 /nfs/dbraw/zinc/12/55/51/166125551.db2.gz SXXCAPNNZGHYGS-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)CSC1=NCCS1 5382896 166125565 /nfs/dbraw/zinc/12/55/65/166125565.db2.gz FROLCDUCSISCAX-UHFFFAOYSA-N 0 0 173.306 2.399 10 30 AEEERN C=C(C)COc1ccc(N)cc1F 76851805 166125640 /nfs/dbraw/zinc/12/56/40/166125640.db2.gz TXPVFWOJCJGSHJ-UHFFFAOYSA-N 0 0 181.210 2.363 10 30 AEEERN C=C(C)C[C@H]1C=CCC[C@@H]1O 39059388 166125701 /nfs/dbraw/zinc/12/57/01/166125701.db2.gz LVMVFQLJFFLULL-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)CSc1ccc(N)nc1 37192704 166125727 /nfs/dbraw/zinc/12/57/27/166125727.db2.gz VZAIDNYKLSUGOQ-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=C(C)CSc1ncccc1N 37191093 166125748 /nfs/dbraw/zinc/12/57/48/166125748.db2.gz JBIMJZVCESIGDK-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=C(C)C[C@@H](O)CCC 39234456 166125752 /nfs/dbraw/zinc/12/57/52/166125752.db2.gz GTKURIOOHVCNCH-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(C)CSc1ccc(N)cn1 37191895 166125905 /nfs/dbraw/zinc/12/59/05/166125905.db2.gz IRXBXKBJXMAHPV-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=C(C)CSc1ccncc1N 37190288 166125919 /nfs/dbraw/zinc/12/59/19/166125919.db2.gz WRLRPUBQFMIRGU-UHFFFAOYSA-N 0 0 180.276 2.332 10 30 AEEERN C=C(C)C[C@H]1CCCC1=O 38892199 166125925 /nfs/dbraw/zinc/12/59/25/166125925.db2.gz QSZFQFWJRFUEDH-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C[C@H](O)c1ccco1 34408102 166125944 /nfs/dbraw/zinc/12/59/44/166125944.db2.gz HYTMPGZIVTXIGZ-QMMMGPOBSA-N 0 0 152.193 2.279 10 30 AEEERN C=C(C)C[C@@]1(O)CC=CCC1 39059391 166126099 /nfs/dbraw/zinc/12/60/99/166126099.db2.gz YTCAGHFIXVRLTQ-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN C=C(C)C[C@@H](O)CC(F)(F)F 17408795 166126133 /nfs/dbraw/zinc/12/61/33/166126133.db2.gz AQYGSDFXLIJVCE-ZCFIWIBFSA-N 0 0 168.158 2.266 10 30 AEEERN C=C(C)C[C@@H]1CCC[C@H]1O 43655818 166126153 /nfs/dbraw/zinc/12/61/53/166126153.db2.gz XOEWEBSMHCLWDA-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)CO[C@H]1CCCCO1 5601342 166126193 /nfs/dbraw/zinc/12/61/93/166126193.db2.gz WEINLSIXIYLFET-VIFPVBQESA-N 0 0 156.225 2.106 10 30 AEEERN C=C(C)C[C@@H](CC)[C@@H](C)O 43656861 166126198 /nfs/dbraw/zinc/12/61/98/166126198.db2.gz NRTPYOKXWDJGKW-RKDXNWHRSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)COc1ccccc1O 5194991 166126200 /nfs/dbraw/zinc/12/62/00/166126200.db2.gz AAXBKJXGVXNSHI-UHFFFAOYSA-N 0 0 164.204 2.347 10 30 AEEERN C=C(C)COc1ccc(O)cc1 36896762 166126202 /nfs/dbraw/zinc/12/62/02/166126202.db2.gz XCBOVURMZMAMGR-UHFFFAOYSA-N 0 0 164.204 2.347 10 30 AEEERN C=C(C)C[C@]1(C)CC(=O)C(C)=CC1=O 62720036 166126217 /nfs/dbraw/zinc/12/62/17/166126217.db2.gz SCYMUAZAUZMZRM-GFCCVEGCSA-N 0 0 192.258 2.447 10 30 AEEERN C=C(C)C[C@@H]1CCCC1=O 38892198 166126223 /nfs/dbraw/zinc/12/62/23/166126223.db2.gz QSZFQFWJRFUEDH-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C[C@@H]1C=CCC[C@@H]1O 39059387 166126389 /nfs/dbraw/zinc/12/63/89/166126389.db2.gz LVMVFQLJFFLULL-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C[C@@H](O)CC(C)C 39411618 166126399 /nfs/dbraw/zinc/12/63/99/166126399.db2.gz SXXCAPNNZGHYGS-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)Cc1cccnc1 43502550 166126700 /nfs/dbraw/zinc/12/67/00/166126700.db2.gz UVNDSJJLPWRULR-UHFFFAOYSA-N 0 0 133.194 2.200 10 30 AEEERN C=C(C)Cc1cccnc1F 34582531 166126933 /nfs/dbraw/zinc/12/69/33/166126933.db2.gz UEMRVFXUAYUZNL-UHFFFAOYSA-N 0 0 151.184 2.339 10 30 AEEERN C=C(C)Cc1cccc(C=O)c1O 59102508 166126941 /nfs/dbraw/zinc/12/69/41/166126941.db2.gz WOLCLYQJUZHGFM-UHFFFAOYSA-N 0 0 176.215 2.323 10 30 AEEERN C=C(C)Cc1ccn2ccnc2c1 89201465 166126950 /nfs/dbraw/zinc/12/69/50/166126950.db2.gz ITVJQQHBCLCMJF-UHFFFAOYSA-N 0 0 172.231 2.453 10 30 AEEERN C=C(C)Cn1cccc1 34578796 166127178 /nfs/dbraw/zinc/12/71/78/166127178.db2.gz QLZTYGUDGZPNMD-UHFFFAOYSA-N 0 0 121.183 2.064 10 30 AEEERN C=C(C)Cn1cnc(C)c1C 39080095 166127238 /nfs/dbraw/zinc/12/72/38/166127238.db2.gz GWFQVNREDZNOBD-UHFFFAOYSA-N 0 0 150.225 2.076 10 30 AEEERN C=C(C)Cc1cnc2ccccn12 79065255 166127288 /nfs/dbraw/zinc/12/72/88/166127288.db2.gz CSMBYKPHKPKEKJ-UHFFFAOYSA-N 0 0 172.231 2.453 10 30 AEEERN C=C(C)Cc1ccco1 78675681 166127462 /nfs/dbraw/zinc/12/74/62/166127462.db2.gz WPEKAXCBWQYAQJ-UHFFFAOYSA-N 0 0 122.167 2.398 10 30 AEEERN C=C(C)Cn1cccc1C(C)=O 39071367 166127672 /nfs/dbraw/zinc/12/76/72/166127672.db2.gz LBIYSXNMLMJPCG-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN C=C(C)Cc1ccc2c(c1)COC2=O 146244593 166127676 /nfs/dbraw/zinc/12/76/76/166127676.db2.gz GIJZJURTYRVUIA-UHFFFAOYSA-N 0 0 188.226 2.476 10 30 AEEERN C=C(C)Cc1ccc2nccn2c1 34169370 166127805 /nfs/dbraw/zinc/12/78/05/166127805.db2.gz OGBGRUSXSCHZHP-UHFFFAOYSA-N 0 0 172.231 2.453 10 30 AEEERN C=C(C)[C@@]12CCCC[C@@H]1C(=O)C=C2O 96675593 166128083 /nfs/dbraw/zinc/12/80/83/166128083.db2.gz LOKRJZBBWKMCJT-SKDRFNHKSA-N 0 0 192.258 2.281 10 30 AEEERN C=C(C)[C@@H]1CC[C@@]1(C)CCO 5158344 166128120 /nfs/dbraw/zinc/12/81/20/166128120.db2.gz SJKPJXGGNKMRPD-UWVGGRQHSA-N 0 0 154.253 2.361 10 30 AEEERN C=C(C)[C@@H]1Cc2c(O)ccc(O)c21 13307597 166128125 /nfs/dbraw/zinc/12/81/25/166128125.db2.gz CHBOVVKYCNAZHG-ZETCQYMHSA-N 0 0 176.215 2.314 10 30 AEEERN C=C(C)[C@@H]1Cc2cc(C=O)ccc2O1 5158368 166128151 /nfs/dbraw/zinc/12/81/51/166128151.db2.gz MPEXJCQZHBHGMC-LBPRGKRZSA-N 0 0 188.226 2.379 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(O)C1=C 5382899 166128179 /nfs/dbraw/zinc/12/81/79/166128179.db2.gz YMDBBTFDBCRGLP-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(O)[C@H]1C 253486800 166128307 /nfs/dbraw/zinc/12/83/07/166128307.db2.gz ZRVPDCMGGOSDKG-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H]1CC[C@](C)(O)C1=C 15955356 166128556 /nfs/dbraw/zinc/12/85/56/166128556.db2.gz YMDBBTFDBCRGLP-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(O)C1=C 2112731 166128658 /nfs/dbraw/zinc/12/86/58/166128658.db2.gz YMDBBTFDBCRGLP-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@@]12CCCC[C@H]1C(=O)C=C2O 96675595 166128713 /nfs/dbraw/zinc/12/87/13/166128713.db2.gz LOKRJZBBWKMCJT-CABZTGNLSA-N 0 0 192.258 2.281 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]1C 5736031 166128768 /nfs/dbraw/zinc/12/87/68/166128768.db2.gz ZRVPDCMGGOSDKG-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H](C)[C@H](O)C(F)(F)F 37631025 166128844 /nfs/dbraw/zinc/12/88/44/166128844.db2.gz AVRXBKPWYHPMDX-WDSKDSINSA-N 0 0 168.158 2.122 10 30 AEEERN C=C(C)[C@H](C)N(O)c1ccccn1 73170045 166128848 /nfs/dbraw/zinc/12/88/48/166128848.db2.gz IIHSAYYKXRYHBY-VIFPVBQESA-N 0 0 178.235 2.242 10 30 AEEERN C=C(C)[C@H](C1CCC1)[C@@H](C)O 2562591 166128914 /nfs/dbraw/zinc/12/89/14/166128914.db2.gz IQEVSYUKGZYAPO-SCZZXKLOSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H]1CC(=O)C=C(C)C1 34518877 166128919 /nfs/dbraw/zinc/12/89/19/166128919.db2.gz QEIYJIPGTLKBMK-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)[C@H]1CC=C(C(C)=O)C1 13306704 166128987 /nfs/dbraw/zinc/12/89/87/166128987.db2.gz BTXSVMBTNJSALB-VIFPVBQESA-N 0 0 150.221 2.488 10 30 endogenous,in-man AEEERN C=C(C)[C@H]1CCC(C)=C1CO 39257013 166129066 /nfs/dbraw/zinc/12/90/66/166129066.db2.gz KIGJGCPWLLIPBZ-SECBINFHSA-N 0 0 152.237 2.281 10 30 AEEERN C=C(C)[C@@H]1Cc2ncnc(C)c2C1 519559 166129076 /nfs/dbraw/zinc/12/90/76/166129076.db2.gz CVGMHBIZJRQQCE-VIFPVBQESA-N 0 0 174.247 2.076 10 30 AEEERN C=C(C)[C@H]1CCCC(=O)C1 37631727 166129086 /nfs/dbraw/zinc/12/90/86/166129086.db2.gz TYQGXKQUZWWNDA-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)[C@H]1CCC(=C)[C@H](O)C1 14588414 166129125 /nfs/dbraw/zinc/12/91/25/166129125.db2.gz PNVTXOFNJFHXOK-VHSXEESVSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN C=C(C)[C@H]1C=C[C@@H](C)C(=O)C1 14588457 166129159 /nfs/dbraw/zinc/12/91/59/166129159.db2.gz YAHNGTQFNICUIJ-BDAKNGLRSA-N 0 0 150.221 2.344 10 30 AEEERN C=C(C)[C@H](C)[C@@]1(C)CCC(=O)O1 104846837 166129254 /nfs/dbraw/zinc/12/92/54/166129254.db2.gz SSFFQJLUDJAFKC-WCBMZHEXSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)[C@H]1CC[C@H](C)[C@H]1C=O 6037655 166129314 /nfs/dbraw/zinc/12/93/14/166129314.db2.gz JCDLXWAYWSJVTP-IVZWLZJFSA-N 0 0 152.237 2.424 10 30 endogenous,in-man AEEERN C=C(C)[C@H]1CC=C(C)CC1=O 100206056 166129344 /nfs/dbraw/zinc/12/93/44/166129344.db2.gz JBVPKJLQZCENCU-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1C=O 6037730 166129446 /nfs/dbraw/zinc/12/94/46/166129446.db2.gz JCDLXWAYWSJVTP-LPEHRKFASA-N 0 0 152.237 2.424 10 30 endogenous,in-man AEEERN C=C(C)[C@@](C)(O)c1ccccc1 39617048 166129632 /nfs/dbraw/zinc/12/96/32/166129632.db2.gz YDCKXLWIUVZWAD-LLVKDONJSA-N 0 0 162.232 2.470 10 30 AEEERN C=C(C)[C@H]1C=C[C@H](C)C(=O)C1 14588458 166129737 /nfs/dbraw/zinc/12/97/37/166129737.db2.gz YAHNGTQFNICUIJ-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C=C(C)[C@H]1CCC(C)=C[C@@H]1O 4095549 166129795 /nfs/dbraw/zinc/12/97/95/166129795.db2.gz OLAKPNFIICOONC-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 in-vitro AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1C=O 6031106 166129822 /nfs/dbraw/zinc/12/98/22/166129822.db2.gz JCDLXWAYWSJVTP-KXUCPTDWSA-N 0 0 152.237 2.424 10 30 endogenous,in-man AEEERN C=C(C)[C@H](C)C(=O)C(F)(F)F 34771034 166129866 /nfs/dbraw/zinc/12/98/66/166129866.db2.gz RYMJHKVCCBXQCU-YFKPBYRVSA-N 0 0 166.142 2.330 10 30 AEEERN C=C(C)[C@H](C)[C@]1(C)CCC(=O)O1 104846831 166129895 /nfs/dbraw/zinc/12/98/95/166129895.db2.gz SSFFQJLUDJAFKC-WPRPVWTQSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)[C@H](O)Cc1ccccc1 39258200 166130035 /nfs/dbraw/zinc/13/00/35/166130035.db2.gz LLNIYFUFJFOZDS-LLVKDONJSA-N 0 0 162.232 2.166 10 30 AEEERN C=C(C)[C@@]1(C)COC(C)(C)O1 205050459 166130101 /nfs/dbraw/zinc/13/01/01/166130101.db2.gz PXNIQTMSIFYKPK-SECBINFHSA-N 0 0 156.225 2.104 10 30 AEEERN C=C(C)[C@H]1CC[C@@]1(C)CCO 5158399 166130139 /nfs/dbraw/zinc/13/01/39/166130139.db2.gz SJKPJXGGNKMRPD-ZJUUUORDSA-N 0 0 154.253 2.361 10 30 AEEERN C=C(C)[C@H]1CC=C(C)C(=O)[C@H]1C#N 210571107 166130224 /nfs/dbraw/zinc/13/02/24/166130224.db2.gz DJAKMCJQJRMQLC-ZJUUUORDSA-N 0 0 175.231 2.238 10 30 AEEERN C=C(C)[C@H]1CCC(C)=C[C@H]1O 13524436 166130251 /nfs/dbraw/zinc/13/02/51/166130251.db2.gz OLAKPNFIICOONC-NXEZZACHSA-N 0 0 152.237 2.280 10 30 in-vitro AEEERN C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]1C 5752239 166130291 /nfs/dbraw/zinc/13/02/91/166130291.db2.gz ZRVPDCMGGOSDKG-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C=O 165791815 166130332 /nfs/dbraw/zinc/13/03/32/166130332.db2.gz JCDLXWAYWSJVTP-UTLUCORTSA-N 0 0 152.237 2.424 10 30 endogenous,in-man AEEERN C=C(C)[C@H]1CC[C@@H](C)[C@H]1C=O 5735741 166130344 /nfs/dbraw/zinc/13/03/44/166130344.db2.gz JCDLXWAYWSJVTP-OPRDCNLKSA-N 0 0 152.237 2.424 10 30 endogenous,in-man AEEERN C=C(C)[C@H]1CC[C@@](C)(O)C1=C 4073856 166130365 /nfs/dbraw/zinc/13/03/65/166130365.db2.gz YMDBBTFDBCRGLP-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1C#N 210571137 166130409 /nfs/dbraw/zinc/13/04/09/166130409.db2.gz DJAKMCJQJRMQLC-NXEZZACHSA-N 0 0 175.231 2.238 10 30 AEEERN C=C(C)[C@@]1(C)CC(=O)OC1(C)C 2567392 166130590 /nfs/dbraw/zinc/13/05/90/166130590.db2.gz PTHSUBWVRDHELZ-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)[C@H]1CC[C@]1(C)CCO 5158405 166130604 /nfs/dbraw/zinc/13/06/04/166130604.db2.gz SJKPJXGGNKMRPD-NXEZZACHSA-N 0 0 154.253 2.361 10 30 AEEERN C=C(C)[C@@H]1CC[C@]1(C)CCO 5158347 166130661 /nfs/dbraw/zinc/13/06/61/166130661.db2.gz SJKPJXGGNKMRPD-VHSXEESVSA-N 0 0 154.253 2.361 10 30 AEEERN C=C(C)[C@@H]1Cc2cc(CO)ccc2O1 5158369 166130665 /nfs/dbraw/zinc/13/06/65/166130665.db2.gz MBZDDRANQLUORI-LBPRGKRZSA-N 0 0 190.242 2.059 10 30 AEEERN C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](C#N)C1 5601365 166130672 /nfs/dbraw/zinc/13/06/72/166130672.db2.gz XMSSLEJRRCPSEN-OUAUKWLOSA-N 0 0 179.263 2.253 10 30 AEEERN C=C(C)[C@H](C)[C@@H](O)C(F)(F)F 37631029 166130694 /nfs/dbraw/zinc/13/06/94/166130694.db2.gz AVRXBKPWYHPMDX-NTSWFWBYSA-N 0 0 168.158 2.122 10 30 AEEERN C=C(C)[C@H](CC)C(C)=O 100217572 166130780 /nfs/dbraw/zinc/13/07/80/166130780.db2.gz NHFNILMDSHRIOQ-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1C 227536500 166130793 /nfs/dbraw/zinc/13/07/93/166130793.db2.gz ZRVPDCMGGOSDKG-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H](C)CCC=O 75522321 166130813 /nfs/dbraw/zinc/13/08/13/166130813.db2.gz PWVIWIMUUUVMJV-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)c1ccoc1 34539518 166131150 /nfs/dbraw/zinc/13/11/50/166131150.db2.gz OYLURRDNJDLRFL-UHFFFAOYSA-N 0 0 108.140 2.313 10 30 AEEERN C=C(C)c1cc(C)ccn1 72231165 166131271 /nfs/dbraw/zinc/13/12/71/166131271.db2.gz LIORCLKLPCNROC-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C=C(C)c1cc(C(C)=O)c[nH]1 34127989 166131333 /nfs/dbraw/zinc/13/13/33/166131333.db2.gz RUOWUAABYLAWEG-UHFFFAOYSA-N 0 0 149.193 2.250 10 30 AEEERN C=C(C)c1ccnc(C)c1 32167299 166131352 /nfs/dbraw/zinc/13/13/52/166131352.db2.gz CXGHVELUDDLRAP-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C=C(C)c1cccn1C 39073507 166131434 /nfs/dbraw/zinc/13/14/34/166131434.db2.gz DGCWSOUKFRZYPJ-UHFFFAOYSA-N 0 0 121.183 2.058 10 30 AEEERN C=C(C)c1cccc(C)n1 39051783 166131530 /nfs/dbraw/zinc/13/15/30/166131530.db2.gz KQHUNCLDTOTTJY-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C=C(CC#N)c1ccccn1 39051797 166131538 /nfs/dbraw/zinc/13/15/38/166131538.db2.gz YJPLKNSUPDZKEV-UHFFFAOYSA-N 0 0 144.177 2.008 10 30 AEEERN C=C(C)c1cccc(OC)n1 39051781 166131555 /nfs/dbraw/zinc/13/15/55/166131555.db2.gz RTMPZQXQMRZATG-UHFFFAOYSA-N 0 0 149.193 2.123 10 30 AEEERN C=C(C)[C@](C)(O)c1ccccc1 39617047 166131617 /nfs/dbraw/zinc/13/16/17/166131617.db2.gz YDCKXLWIUVZWAD-NSHDSACASA-N 0 0 162.232 2.470 10 30 AEEERN C=C(C)c1ccccc2nc(N)nc1-2 34411993 166131782 /nfs/dbraw/zinc/13/17/82/166131782.db2.gz HPVYJLVKTVWLOF-UHFFFAOYSA-N 0 0 185.230 2.197 10 30 AEEERN C=C(C)c1ccccc1CNC(C)=O 39126485 166131818 /nfs/dbraw/zinc/13/18/18/166131818.db2.gz JRSUDNLNJPZVGP-UHFFFAOYSA-N 0 0 189.258 2.356 10 30 AEEERN C=C(C)c1ccccc1O 34454802 166131849 /nfs/dbraw/zinc/13/18/49/166131849.db2.gz WUQYBSRMWWRFQH-UHFFFAOYSA-N 0 0 134.178 2.425 10 30 AEEERN C=C(C)n1c(=O)[nH]c2cccc(C)c21 45238665 166131875 /nfs/dbraw/zinc/13/18/75/166131875.db2.gz MJGJDSZGYFSWTH-UHFFFAOYSA-N 0 0 188.230 2.129 10 30 AEEERN C=C(C)c1nnc([C@H](N)C(C)(C)C)o1 83342385 166131903 /nfs/dbraw/zinc/13/19/03/166131903.db2.gz GZDABMVWHZMFDK-ZETCQYMHSA-N 0 0 195.266 2.149 10 30 AEEERN C=C(C)c1ccn(CCC#N)c1 75544721 166131940 /nfs/dbraw/zinc/13/19/40/166131940.db2.gz ILNXEIWAMRRDSW-UHFFFAOYSA-N 0 0 160.220 2.435 10 30 AEEERN C=C(C)c1nc(C)c(CCO)s1 83340871 166132012 /nfs/dbraw/zinc/13/20/12/166132012.db2.gz DCJFWYCRLROQSY-UHFFFAOYSA-N 0 0 183.276 2.019 10 30 AEEERN C=C(C)c1ccc(C(C)=O)nc1 45796423 166132038 /nfs/dbraw/zinc/13/20/38/166132038.db2.gz BXWKVBTUKYCJHK-UHFFFAOYSA-N 0 0 161.204 2.317 10 30 AEEERN C=C(C)c1ccc[nH]1 34544848 166132061 /nfs/dbraw/zinc/13/20/61/166132061.db2.gz ZJHIPBWHKBAETO-UHFFFAOYSA-N 0 0 107.156 2.048 10 30 AEEERN C=C(C)n1c(=O)[nH]c2ccc(C)cc21 5619049 166132068 /nfs/dbraw/zinc/13/20/68/166132068.db2.gz JDCJEBCHAPFNDK-UHFFFAOYSA-N 0 0 188.230 2.129 10 30 AEEERN C=C(C)c1cc(OC)ccc1O 75546106 166132083 /nfs/dbraw/zinc/13/20/83/166132083.db2.gz WNVSAYBIOKTONZ-UHFFFAOYSA-N 0 0 164.204 2.434 10 30 AEEERN C=C(C)c1ccc(OC[C@H]2CO2)cc1 34491433 166132101 /nfs/dbraw/zinc/13/21/01/166132101.db2.gz ZDTYPPLWITYVRR-LBPRGKRZSA-N 0 0 190.242 2.497 10 30 AEEERN C=C(C)c1ccc(Cl)nn1 72192432 166132137 /nfs/dbraw/zinc/13/21/37/166132137.db2.gz IMLWQEHYQSCSGL-UHFFFAOYSA-N 0 0 154.600 2.163 10 30 AEEERN C=C(C)n1c(=O)[nH]c2c(C)cccc21 39168757 166132234 /nfs/dbraw/zinc/13/22/34/166132234.db2.gz UKUOKIGYMKYDSO-UHFFFAOYSA-N 0 0 188.230 2.129 10 30 AEEERN C=C(C)[C@]12CCCC[C@@H]1C(=O)C=C2O 96675594 166132289 /nfs/dbraw/zinc/13/22/89/166132289.db2.gz LOKRJZBBWKMCJT-BXKDBHETSA-N 0 0 192.258 2.281 10 30 AEEERN C=C(C)c1ccc(Br)nn1 72192433 166132332 /nfs/dbraw/zinc/13/23/32/166132332.db2.gz SFTFEALYBAHRDB-UHFFFAOYSA-N 0 0 199.051 2.272 10 30 AEEERN C=C(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2 39111476 166132415 /nfs/dbraw/zinc/13/24/15/166132415.db2.gz JQFBCROVUQXTIN-XKSSXDPKSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)[C@]12CCCC[C@H]1C(=O)C=C2O 96675596 166132547 /nfs/dbraw/zinc/13/25/47/166132547.db2.gz LOKRJZBBWKMCJT-JOYOIKCWSA-N 0 0 192.258 2.281 10 30 AEEERN C=C(C)c1ccn(C)c1 34576475 166132564 /nfs/dbraw/zinc/13/25/64/166132564.db2.gz MXXYSAFGTIYGFE-UHFFFAOYSA-N 0 0 121.183 2.058 10 30 AEEERN C=C(C)[C@H]1Cc2c(O)ccc(O)c21 13307599 166132605 /nfs/dbraw/zinc/13/26/05/166132605.db2.gz CHBOVVKYCNAZHG-SSDOTTSWSA-N 0 0 176.215 2.314 10 30 AEEERN C=C(C)c1ncccc1NC 34448377 166132629 /nfs/dbraw/zinc/13/26/29/166132629.db2.gz NWIXYNYYSZKBSC-UHFFFAOYSA-N 0 0 148.209 2.156 10 30 AEEERN C=C(C)[C@H]1Cc2cc(C=O)ccc2O1 15217351 166132756 /nfs/dbraw/zinc/13/27/56/166132756.db2.gz MPEXJCQZHBHGMC-GFCCVEGCSA-N 0 0 188.226 2.379 10 30 AEEERN C=C(C)[C@]1(C)CC(=O)OC1(C)C 104846658 166132769 /nfs/dbraw/zinc/13/27/69/166132769.db2.gz PTHSUBWVRDHELZ-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN C=C(C)c1cc2ccccn2n1 165571167 166132804 /nfs/dbraw/zinc/13/28/04/166132804.db2.gz CWQSZGCIJUTAHS-UHFFFAOYSA-N 0 0 158.204 2.367 10 30 AEEERN C=C(C)c1cccc(O)c1 34083322 166132873 /nfs/dbraw/zinc/13/28/73/166132873.db2.gz REWLXMVGEZMKSG-UHFFFAOYSA-N 0 0 134.178 2.425 10 30 AEEERN C=C(C)c1cccc(OC)c1N 36419846 166132935 /nfs/dbraw/zinc/13/29/35/166132935.db2.gz CWRDFHRRFZSCEB-UHFFFAOYSA-N 0 0 163.220 2.311 10 30 AEEERN C=C(C)c1ccnc([C@@H](C)O)c1 39071393 166132970 /nfs/dbraw/zinc/13/29/70/166132970.db2.gz MXHFNJLDXMYSAO-MRVPVSSYSA-N 0 0 163.220 2.168 10 30 AEEERN C=C(C)c1ccc(C)cn1 32169202 166133065 /nfs/dbraw/zinc/13/30/65/166133065.db2.gz XNIIKXROZAQQKR-UHFFFAOYSA-N 0 0 133.194 2.423 10 30 AEEERN C=C(C)c1cnc(Br)cn1 72192424 166133160 /nfs/dbraw/zinc/13/31/60/166133160.db2.gz YVKXOAZALPZCHO-UHFFFAOYSA-N 0 0 199.051 2.272 10 30 AEEERN C=C(C)[C@]1(C)COC(C)(C)O1 205050438 166133168 /nfs/dbraw/zinc/13/31/68/166133168.db2.gz PXNIQTMSIFYKPK-VIFPVBQESA-N 0 0 156.225 2.104 10 30 AEEERN C=C(C)c1ccc2c(c1)CC(=O)N2 145159973 166133253 /nfs/dbraw/zinc/13/32/53/166133253.db2.gz SZCMFLUIZIYEFQ-UHFFFAOYSA-N 0 0 173.215 2.214 10 30 AEEERN C=C(C)c1ccnc([C@H](C)O)c1 39071391 166133346 /nfs/dbraw/zinc/13/33/46/166133346.db2.gz MXHFNJLDXMYSAO-QMMMGPOBSA-N 0 0 163.220 2.168 10 30 AEEERN C=C(C)c1ccc(OC[C@@H]2CO2)cc1 34491432 166133373 /nfs/dbraw/zinc/13/33/73/166133373.db2.gz ZDTYPPLWITYVRR-GFCCVEGCSA-N 0 0 190.242 2.497 10 30 AEEERN C=C(CC)CC(=O)CC 100107758 166133684 /nfs/dbraw/zinc/13/36/84/166133684.db2.gz AQEWUVMJFCNFIY-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(CC)CCCCO 85071216 166133737 /nfs/dbraw/zinc/13/37/37/166133737.db2.gz WAQNPLPBSRVNBO-UHFFFAOYSA-N 0 0 128.215 2.115 10 30 AEEERN C=C(CC)C1CC1 1615317 166133785 /nfs/dbraw/zinc/13/37/85/166133785.db2.gz FSEYRSPILWGXBV-UHFFFAOYSA-N 0 0 96.173 2.363 10 30 AEEERN C=C(CC)CCC(C)=O 39068228 166133972 /nfs/dbraw/zinc/13/39/72/166133972.db2.gz CCHYTSNOZNKRNH-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(CC)Cn1ccc(C)cc1=O 162029528 166133980 /nfs/dbraw/zinc/13/39/80/166133980.db2.gz DHHREIHESCYETN-UHFFFAOYSA-N 0 0 177.247 2.123 10 30 AEEERN C=C(CC)C[N@@H+]1C[C@H](C)OC[C@H]1C 306508101 166134041 /nfs/dbraw/zinc/13/40/41/166134041.db2.gz AAWIOPPZOFKNTN-MNOVXSKESA-N 0 0 183.295 2.062 10 30 AEEERN C=C(CCCO)[C@@H]1CC[C@@](C)(O)[C@H]1C 5889605 166134102 /nfs/dbraw/zinc/13/41/02/166134102.db2.gz MLBPPDRXJFCPML-SDDRHHMPSA-N 0 0 198.306 2.112 10 30 AEEERN C=C(CC/C=C\C)C(C)=O 39068898 166134248 /nfs/dbraw/zinc/13/42/48/166134248.db2.gz BCBFONZFAXGTQK-PLNGDYQASA-N 0 0 138.210 2.488 10 30 AEEERN C=C(CC)C[N@@H+]1C[C@H](C)OC[C@@H]1C 306508107 166134257 /nfs/dbraw/zinc/13/42/57/166134257.db2.gz AAWIOPPZOFKNTN-QWRGUYRKSA-N 0 0 183.295 2.062 10 30 AEEERN C=C(CC)C[N@@H+]1C[C@@H](C)OC[C@@H]1C 306508110 166134273 /nfs/dbraw/zinc/13/42/73/166134273.db2.gz AAWIOPPZOFKNTN-WDEREUQCSA-N 0 0 183.295 2.062 10 30 AEEERN C=C(CC=C(C)C)C(C)=O 36466140 166134282 /nfs/dbraw/zinc/13/42/82/166134282.db2.gz WQUNIOMSDORVFI-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(CC)C[N@@H+]1C[C@@H](C)OC[C@H]1C 306508095 166134315 /nfs/dbraw/zinc/13/43/15/166134315.db2.gz AAWIOPPZOFKNTN-GHMZBOCLSA-N 0 0 183.295 2.062 10 30 AEEERN C=C(CC)CC[C@@H](C)O 39594266 166134383 /nfs/dbraw/zinc/13/43/83/166134383.db2.gz ITWRBHNGSYHSHJ-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(CC)n1c(=O)[nH]c2ccccc21 39039009 166134385 /nfs/dbraw/zinc/13/43/85/166134385.db2.gz VPQAVUMNDCOATE-UHFFFAOYSA-N 0 0 188.230 2.210 10 30 AEEERN C=C(CC)CC[C@@H](C)CO 34060416 166134397 /nfs/dbraw/zinc/13/43/97/166134397.db2.gz YSDHYUIFZIGMRL-SECBINFHSA-N 0 0 142.242 2.361 10 30 AEEERN C=C(CC)CC[C@H](C)O 39594267 166134478 /nfs/dbraw/zinc/13/44/78/166134478.db2.gz ITWRBHNGSYHSHJ-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN C=C(CC=O)C(C)(C)C 75522189 166134485 /nfs/dbraw/zinc/13/44/85/166134485.db2.gz FYARYKBOEHOFSN-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(CC)C(=O)C1=CCCCO1 90412198 166134538 /nfs/dbraw/zinc/13/45/38/166134538.db2.gz IQYBQMRQQGTYNW-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C(CC)CCCC=O 75522302 166134592 /nfs/dbraw/zinc/13/45/92/166134592.db2.gz RLVCILQZAOOXBR-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(CCC)C1(C)OCCO1 196083605 166134677 /nfs/dbraw/zinc/13/46/77/166134677.db2.gz ZMOZDQRFTZWGMG-UHFFFAOYSA-N 0 0 156.225 2.106 10 30 AEEERN C=C(CC)C(=C)CCC=O 75526587 166134789 /nfs/dbraw/zinc/13/47/89/166134789.db2.gz VEYVZHNTZJTCAG-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(Cl)CO[C@@H]1CCCCO1 90476514 166135194 /nfs/dbraw/zinc/13/51/94/166135194.db2.gz RZTSWPTVBWMJTN-MRVPVSSYSA-N 0 0 176.643 2.282 10 30 AEEERN C=C(Cl)CN(CCC#N)C1CC1 42549240 166135302 /nfs/dbraw/zinc/13/53/02/166135302.db2.gz TYZCQUQLQKFPRF-UHFFFAOYSA-N 0 0 184.670 2.117 10 30 AEEERN C=C(Cl)CN(CCC#N)C(C)C 42530737 166135454 /nfs/dbraw/zinc/13/54/54/166135454.db2.gz KZFMMFDUHMMGCD-UHFFFAOYSA-N 0 0 186.686 2.363 10 30 AEEERN C=C(Cl)CO[C@H]1CCCCO1 90476516 166135802 /nfs/dbraw/zinc/13/58/02/166135802.db2.gz RZTSWPTVBWMJTN-QMMMGPOBSA-N 0 0 176.643 2.282 10 30 AEEERN C=C(Cl)COc1cccc(CO)c1 20031591 166135858 /nfs/dbraw/zinc/13/58/58/166135858.db2.gz QRFCMALAJSWICY-UHFFFAOYSA-N 0 0 198.649 2.310 10 30 AEEERN C=C(Cl)CNc1ccc(OC)nc1 37680850 166136582 /nfs/dbraw/zinc/13/65/82/166136582.db2.gz JDAUUFVMWLOUHX-UHFFFAOYSA-N 0 0 198.653 2.255 10 30 AEEERN C=C(Cl)COc1ccc(N)cc1 38055363 166136690 /nfs/dbraw/zinc/13/66/90/166136690.db2.gz GJAIVNOHRRFYSJ-UHFFFAOYSA-N 0 0 183.638 2.400 10 30 AEEERN C=C(Cl)COc1ccccc1N 38055894 166137525 /nfs/dbraw/zinc/13/75/25/166137525.db2.gz FJTZRGRXBCPUQC-UHFFFAOYSA-N 0 0 183.638 2.400 10 30 AEEERN C=C(Cl)COc1cccc(N)c1 38054811 166137644 /nfs/dbraw/zinc/13/76/44/166137644.db2.gz SEDNQMLBJZBMMT-UHFFFAOYSA-N 0 0 183.638 2.400 10 30 AEEERN C=C(F)C(=O)c1ccc(OC)cc1 39054891 166138854 /nfs/dbraw/zinc/13/88/54/166138854.db2.gz FQXRXYSIYCUNNS-UHFFFAOYSA-N 0 0 180.178 2.361 10 30 AEEERN C=C(F)C(=O)c1ccccc1 39054765 166138873 /nfs/dbraw/zinc/13/88/73/166138873.db2.gz VAAKTRWURQUKTA-UHFFFAOYSA-N 0 0 150.152 2.353 10 30 AEEERN C=C(F)Cc1ccc(O)cc1 13623 166138908 /nfs/dbraw/zinc/13/89/08/166138908.db2.gz OVYDTOROWZTIPY-UHFFFAOYSA-N 0 0 152.168 2.418 10 30 AEEERN C=C(F)C(=O)c1ccc([N+](=O)[O-])cc1 38363528 166138962 /nfs/dbraw/zinc/13/89/62/166138962.db2.gz QZNYYBZBUGNBTN-UHFFFAOYSA-N 0 0 195.149 2.261 10 30 AEEERN C=C(c1ccc(C)cc1)[C@@H]1CO1 34808758 166139041 /nfs/dbraw/zinc/13/90/41/166139041.db2.gz CHJUMXDZGIUNGJ-NSHDSACASA-N 0 0 160.216 2.407 10 30 AEEERN C=C(c1ccc(C)cc1)[C@H]1CO1 34808759 166139304 /nfs/dbraw/zinc/13/93/04/166139304.db2.gz CHJUMXDZGIUNGJ-LLVKDONJSA-N 0 0 160.216 2.407 10 30 AEEERN C=C(F)C(=O)c1cccc(OC)c1 39054890 166140062 /nfs/dbraw/zinc/14/00/62/166140062.db2.gz DCGYQSDRFUCKGG-UHFFFAOYSA-N 0 0 180.178 2.361 10 30 AEEERN C=C(OC)C(=O)c1ccccc1 62715981 166140069 /nfs/dbraw/zinc/14/00/69/166140069.db2.gz PHWJXZCZYIKGBN-UHFFFAOYSA-N 0 0 162.188 2.029 10 30 AEEERN C=C(F)C1CCC1 238544939 166140132 /nfs/dbraw/zinc/14/01/32/166140132.db2.gz PMHUXRQNIRJWIC-UHFFFAOYSA-N 0 0 100.136 2.270 10 30 AEEERN C=C(Cl)Cn1nc(C)c(C=O)c1C 36867969 166140534 /nfs/dbraw/zinc/14/05/34/166140534.db2.gz BYXNHMDTBBIUIJ-UHFFFAOYSA-N 0 0 198.653 2.065 10 30 AEEERN C=C/C=C/C(=O)[C@H]1CCCC(=O)C1 104837277 166141078 /nfs/dbraw/zinc/14/10/78/166141078.db2.gz CSZIMKHXOATJNG-HMVTZJNGSA-N 0 0 178.231 2.057 10 30 AEEERN C=C/C=C/[C@H]1C=CC[C@H]1C=O 75538203 166141083 /nfs/dbraw/zinc/14/10/83/166141083.db2.gz AOLQRWZAENDEKB-GMRPRLDHSA-N 0 0 148.205 2.120 10 30 AEEERN C=C/C=C\[C@@H]1C=CC[C@H]1C=O 39061704 166141099 /nfs/dbraw/zinc/14/10/99/166141099.db2.gz AOLQRWZAENDEKB-OSCQXZJKSA-N 0 0 148.205 2.120 10 30 AEEERN C=C1C(=O)C[C@@]2(C(C)C)C[C@@H]12 6365015 166141173 /nfs/dbraw/zinc/14/11/73/166141173.db2.gz PBLWMCQDAGOTPV-WCBMZHEXSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1C(=O)O[C@@H](C)[C@@H]1c1ccccc1 104846691 166141197 /nfs/dbraw/zinc/14/11/97/166141197.db2.gz RQWBKTZFVWJEKV-GXSJLCMTSA-N 0 0 188.226 2.272 10 30 AEEERN C=C1C(=O)C(C)=C(C)C1(C)C 14764772 166141222 /nfs/dbraw/zinc/14/12/22/166141222.db2.gz HPRXOWFUCCMLJF-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 biogenic,in-vitro AEEERN C=C/C=C/C(=O)[C@@H]1CCCC(=O)C1 104837274 166141521 /nfs/dbraw/zinc/14/15/21/166141521.db2.gz CSZIMKHXOATJNG-XKEGTWDPSA-N 0 0 178.231 2.057 10 30 AEEERN C=C/C=C\[C@H]1C=CC[C@H]1C=O 39061706 166141659 /nfs/dbraw/zinc/14/16/59/166141659.db2.gz AOLQRWZAENDEKB-XMWDXMLXSA-N 0 0 148.205 2.120 10 30 AEEERN C=C/C(C)=C\CCC=O 75521216 166141691 /nfs/dbraw/zinc/14/16/91/166141691.db2.gz QSGFNRAGUVEDCC-VURMDHGXSA-N 0 0 124.183 2.098 10 30 AEEERN C=C/C=C/[C@H]1C=CC[C@@H]1C=O 75538201 166141943 /nfs/dbraw/zinc/14/19/43/166141943.db2.gz AOLQRWZAENDEKB-AETUYUCGSA-N 0 0 148.205 2.120 10 30 AEEERN C=C1/C(=C\C)CC(C)(C)[C@@H]1O 39059399 166142058 /nfs/dbraw/zinc/14/20/58/166142058.db2.gz LNKQGSOWVFADDG-BZJXQOFCSA-N 0 0 152.237 2.280 10 30 AEEERN C=C/C=C\C=C\[C@@H]1C[C@@H]1C=O 39061720 166142061 /nfs/dbraw/zinc/14/20/61/166142061.db2.gz PWAQUIMGNLXZHN-HCXXOREESA-N 0 0 148.205 2.120 10 30 AEEERN C=C/C=N/C(=O)c1ccccc1 39065385 166142074 /nfs/dbraw/zinc/14/20/74/166142074.db2.gz JYNGLNPYIDRXHB-DHZHZOJOSA-N 0 0 159.188 2.084 10 30 AEEERN C=C1C(=O)O[C@@H](C)[C@H]1c1ccccc1 104846696 166142100 /nfs/dbraw/zinc/14/21/00/166142100.db2.gz RQWBKTZFVWJEKV-ONGXEEELSA-N 0 0 188.226 2.272 10 30 AEEERN C=C/C=C\[C@H]1C=CC[C@@H]1C=O 39061703 166142102 /nfs/dbraw/zinc/14/21/02/166142102.db2.gz AOLQRWZAENDEKB-NFXDQBBPSA-N 0 0 148.205 2.120 10 30 AEEERN C=C/C=C/CCCC=O 33820559 166142106 /nfs/dbraw/zinc/14/21/06/166142106.db2.gz DAGXMELQLQNAGN-ONEGZZNKSA-N 0 0 124.183 2.098 10 30 AEEERN C=C/C=C/[C@@H]1C=CC[C@H]1C=O 75538202 166142109 /nfs/dbraw/zinc/14/21/09/166142109.db2.gz AOLQRWZAENDEKB-AEJJFCSLSA-N 0 0 148.205 2.120 10 30 AEEERN C=C1C(=O)C[C@H]2C[C@@H]1C2(C)C 967583 166142126 /nfs/dbraw/zinc/14/21/26/166142126.db2.gz TZDMGBLPGZXHJI-SFYZADRCSA-N 0 0 150.221 2.178 10 30 endogenous,in-man AEEERN C=C1C(=O)C[C@]2(C(C)C)C[C@H]12 4095733 166142308 /nfs/dbraw/zinc/14/23/08/166142308.db2.gz PBLWMCQDAGOTPV-SCZZXKLOSA-N 0 0 150.221 2.178 10 30 in-vitro AEEERN C=C/C=C/CCCC#N 34060340 166142336 /nfs/dbraw/zinc/14/23/36/166142336.db2.gz BVOWBNISLVCXSP-ONEGZZNKSA-N 0 0 121.183 2.422 10 30 AEEERN C=C1C(=O)C=C(C)CC1(C)C 39059202 166142516 /nfs/dbraw/zinc/14/25/16/166142516.db2.gz YNFCLQKIJIQXKU-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C/C=C(\SC)C(C)=O 39069201 166142644 /nfs/dbraw/zinc/14/26/44/166142644.db2.gz OOZICKRDEVQIGV-ALCCZGGFSA-N 0 0 142.223 2.008 10 30 AEEERN C=C/C=C/[C@@H]1C=CC[C@@H]1C=O 75538198 166142654 /nfs/dbraw/zinc/14/26/54/166142654.db2.gz AOLQRWZAENDEKB-OTIHIVFHSA-N 0 0 148.205 2.120 10 30 AEEERN C=C1/C(=C\C)CC(C)(C)[C@H]1O 39059400 166142774 /nfs/dbraw/zinc/14/27/74/166142774.db2.gz LNKQGSOWVFADDG-RDOCRHDPSA-N 0 0 152.237 2.280 10 30 AEEERN C=C/C=C/CC(C)(C)C=O 75526425 166142881 /nfs/dbraw/zinc/14/28/81/166142881.db2.gz WWHAJSAFOVUSCC-AATRIKPKSA-N 0 0 138.210 2.344 10 30 AEEERN C=C1C(=O)C[C@@H]2C[C@H]1C2(C)C 967584 166142990 /nfs/dbraw/zinc/14/29/90/166142990.db2.gz TZDMGBLPGZXHJI-JGVFFNPUSA-N 0 0 150.221 2.178 10 30 endogenous,in-man AEEERN C=C/C=C\[C@@H]1C=CC[C@@H]1C=O 39061701 166143068 /nfs/dbraw/zinc/14/30/68/166143068.db2.gz AOLQRWZAENDEKB-QBNQYXCASA-N 0 0 148.205 2.120 10 30 AEEERN C=C1C(C)=C(C)C(=O)C1(C)C 39059167 166143213 /nfs/dbraw/zinc/14/32/13/166143213.db2.gz MWYBBJOIZLGAGD-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1C(C)=C(C)C(=O)[C@H]1C 34544775 166143366 /nfs/dbraw/zinc/14/33/66/166143366.db2.gz NUPOFQCBTWUAJT-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN C=C1C=C(OC)CCC1 5997709 166143378 /nfs/dbraw/zinc/14/33/78/166143378.db2.gz LCJLBMWGZXUTRM-UHFFFAOYSA-N 0 0 124.183 2.257 10 30 AEEERN C=C1C=C[C@@H](C(C)C)CC1=O 39102987 166143392 /nfs/dbraw/zinc/14/33/92/166143392.db2.gz YZKRJYBVOIVSDC-SECBINFHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1CC=C(C)C[C@H]1C(C)=O 39069648 166143397 /nfs/dbraw/zinc/14/33/97/166143397.db2.gz DLYFWALJEAXFEU-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1CC(C)=CC[C@@H]1C(C)=O 39069676 166143401 /nfs/dbraw/zinc/14/34/01/166143401.db2.gz ZSCSKOCBRNWTLB-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=C1CC=C[C@H](C)[C@@H]1C(C)=O 100219946 166143562 /nfs/dbraw/zinc/14/35/62/166143562.db2.gz WRIBLACGBFVVOY-WCBMZHEXSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1C=CC[C@@H](O)[C@H]1C(C)C 39103150 166143766 /nfs/dbraw/zinc/14/37/66/166143766.db2.gz YSJCWXRKAXNXSA-ZJUUUORDSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1CC=C[C@@H](C)[C@@H]1C(C)=O 100219945 166143784 /nfs/dbraw/zinc/14/37/84/166143784.db2.gz WRIBLACGBFVVOY-PSASIEDQSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1C(=O)O[C@H]2CCCCC[C@@H]12 39223579 166143808 /nfs/dbraw/zinc/14/38/08/166143808.db2.gz UQFLAPJYSAEDKQ-IUCAKERBSA-N 0 0 166.220 2.048 10 30 AEEERN C=C1C(C)=C(C)C(=O)[C@@H]1C 100128525 166143848 /nfs/dbraw/zinc/14/38/48/166143848.db2.gz NUPOFQCBTWUAJT-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN C=C1CC(=O)c2c(C)ccc(O)c21 75564330 166143913 /nfs/dbraw/zinc/14/39/13/166143913.db2.gz BJCHGGFGQQLEGA-UHFFFAOYSA-N 0 0 174.199 2.300 10 30 AEEERN C=C1C(C)(C)O[C@H](OC)C1(C)C 59339968 166143918 /nfs/dbraw/zinc/14/39/18/166143918.db2.gz YKKOVUAZKHVKGE-QMMMGPOBSA-N 0 0 170.252 2.350 10 30 AEEERN C=C1CC(C(=O)OC(C)(C)C)C1 146356515 166144047 /nfs/dbraw/zinc/14/40/47/166144047.db2.gz FLQMUIAECQUUIU-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C1C(C)(C)O[C@@H](OC)C1(C)C 59339962 166144136 /nfs/dbraw/zinc/14/41/36/166144136.db2.gz YKKOVUAZKHVKGE-MRVPVSSYSA-N 0 0 170.252 2.350 10 30 AEEERN C=C1CC(C)=CC[C@H]1C(C)=O 100219943 166144200 /nfs/dbraw/zinc/14/42/00/166144200.db2.gz ZSCSKOCBRNWTLB-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1C=C[C@@H](C(C)C)C[C@@H]1O 14588402 166144239 /nfs/dbraw/zinc/14/42/39/166144239.db2.gz VKAGFXRPRUAOHV-ZJUUUORDSA-N 0 0 152.237 2.136 10 30 endogenous,in-man AEEERN C=C1C=CC(C)(C)C[C@@H]1C=O 39061939 166144278 /nfs/dbraw/zinc/14/42/78/166144278.db2.gz FYBXYFDZKYWNQA-SECBINFHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1CC(CC)(CC)OC1=O 25980974 166144285 /nfs/dbraw/zinc/14/42/85/166144285.db2.gz GNWSZEDESCQTFB-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN C=C1C(=O)O[C@H](C)[C@@H]1c1ccccc1 104846686 166144287 /nfs/dbraw/zinc/14/42/87/166144287.db2.gz RQWBKTZFVWJEKV-MWLCHTKSSA-N 0 0 188.226 2.272 10 30 AEEERN C=C1C=CC[C@@H](O)[C@@H]1C(C)C 39103151 166144289 /nfs/dbraw/zinc/14/42/89/166144289.db2.gz YSJCWXRKAXNXSA-NXEZZACHSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1CCC(C(C)C)C(=O)C1=O 100266855 166144319 /nfs/dbraw/zinc/14/43/19/166144319.db2.gz HIMCSQGSAQHZBG-UHFFFAOYSA-N 0 0 166.220 2.374 10 30 AEEERN C=C1C=CC(=O)O[C@H]1/C=C/CCC 40863210 166144403 /nfs/dbraw/zinc/14/44/03/166144403.db2.gz RLSBCOBGKGHJEG-PORFMDCZSA-N 0 0 178.231 2.381 10 30 AEEERN C=C1C=CC(=O)O[C@@H]1/C=C/CCC 40863208 166144414 /nfs/dbraw/zinc/14/44/14/166144414.db2.gz RLSBCOBGKGHJEG-BRAIEQGRSA-N 0 0 178.231 2.381 10 30 AEEERN C=C1CC=C(C)C[C@@H]1C(C)=O 100219864 166144453 /nfs/dbraw/zinc/14/44/53/166144453.db2.gz DLYFWALJEAXFEU-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=C1C(=O)[C@@H]2C[C@H]1C(C)(C)[C@H]2C 34538702 166144473 /nfs/dbraw/zinc/14/44/73/166144473.db2.gz DISOLEWBNUXPRE-DJLDLDEBSA-N 0 0 164.248 2.424 10 30 AEEERN C=C1C=CC(C(C)=O)=CC1 39068642 166144488 /nfs/dbraw/zinc/14/44/88/166144488.db2.gz HWLVDWCHAINZQQ-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN C=C1CC(=O)N[C@H](c2ccccc2)C1 38337376 166144523 /nfs/dbraw/zinc/14/45/23/166144523.db2.gz GJHLZTSWEDEXQW-NSHDSACASA-N 0 0 187.242 2.194 10 30 AEEERN C=C1C(=O)O[C@H](C)[C@H]1c1ccccc1 104846693 166144673 /nfs/dbraw/zinc/14/46/73/166144673.db2.gz RQWBKTZFVWJEKV-KOLCDFICSA-N 0 0 188.226 2.272 10 30 AEEERN C=C1CC=C[C@@H](C)[C@H]1C(C)=O 39069677 166144694 /nfs/dbraw/zinc/14/46/94/166144694.db2.gz WRIBLACGBFVVOY-SCZZXKLOSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1C=C[C@H](C(C)C)CC1=O 39102986 166144767 /nfs/dbraw/zinc/14/47/67/166144767.db2.gz YZKRJYBVOIVSDC-VIFPVBQESA-N 0 0 150.221 2.344 10 30 AEEERN C=C1CC=C[C@H](C)[C@H]1C(C)=O 39069678 166144888 /nfs/dbraw/zinc/14/48/88/166144888.db2.gz WRIBLACGBFVVOY-WPRPVWTQSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1CC(=O)N[C@@H](c2ccccc2)C1 38337375 166144897 /nfs/dbraw/zinc/14/48/97/166144897.db2.gz GJHLZTSWEDEXQW-LLVKDONJSA-N 0 0 187.242 2.194 10 30 AEEERN C=C1C=CC[C@H](O)[C@@H]1C(C)C 39103153 166144942 /nfs/dbraw/zinc/14/49/42/166144942.db2.gz YSJCWXRKAXNXSA-VHSXEESVSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1CC(=O)N1c1ccccc1C 104842714 166145015 /nfs/dbraw/zinc/14/50/15/166145015.db2.gz NBXIUTPIFYIEBC-UHFFFAOYSA-N 0 0 173.215 2.245 10 30 AEEERN C=C1CCC2CC1C2 84403393 166145022 /nfs/dbraw/zinc/14/50/22/166145022.db2.gz WFSWBUPMXLWVRH-UHFFFAOYSA-N 0 0 108.184 2.363 10 30 biogenic,in-vitro AEEERN C=C1C=CC(C)(C)C[C@H]1C=O 100209699 166145171 /nfs/dbraw/zinc/14/51/71/166145171.db2.gz FYBXYFDZKYWNQA-VIFPVBQESA-N 0 0 150.221 2.344 10 30 AEEERN C=C1C=CC[C@H](O)[C@H]1C(C)C 39103152 166145194 /nfs/dbraw/zinc/14/51/94/166145194.db2.gz YSJCWXRKAXNXSA-UWVGGRQHSA-N 0 0 152.237 2.136 10 30 AEEERN C=C1CCC(C=C=O)CC1 39049255 166145300 /nfs/dbraw/zinc/14/53/00/166145300.db2.gz JXRMCQGMKGEEDU-UHFFFAOYSA-N 0 0 136.194 2.121 10 30 AEEERN C=C1CCC[C@H]1[C@H](C)C=O 48546023 166145573 /nfs/dbraw/zinc/14/55/73/166145573.db2.gz BVMZNESIMRIBFK-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1CCc2cc(OC)ccc2C1=O 19877941 166145628 /nfs/dbraw/zinc/14/56/28/166145628.db2.gz QJSMBFOQGUOWQJ-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=C1CN([C@H](C)c2ccccc2)C1=O 104843662 166145655 /nfs/dbraw/zinc/14/56/55/166145655.db2.gz MBZHRMNZWIJOTJ-SNVBAGLBSA-N 0 0 187.242 2.146 10 30 AEEERN C=C1CC[C@H](C(C)C)C(=O)O1 29205537 166145705 /nfs/dbraw/zinc/14/57/05/166145705.db2.gz ZITGLSYHTRWQAQ-MRVPVSSYSA-N 0 0 154.209 2.109 10 30 AEEERN C=C1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 336479473 166145875 /nfs/dbraw/zinc/14/58/75/166145875.db2.gz HKWOYHBGFOSOOK-QWRGUYRKSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CCN(c2cccc(C#N)n2)CC1 334181785 166145974 /nfs/dbraw/zinc/14/59/74/166145974.db2.gz FTQBNDXRWHIXDN-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C=C1CC[C@H](OC)C(C)(C)[C@@H]1C=O 105594944 166145985 /nfs/dbraw/zinc/14/59/85/166145985.db2.gz YKLZGUCYCPDZIY-ZJUUUORDSA-N 0 0 182.263 2.193 10 30 AEEERN C=C1CCc2c1cccc2C(=O)OC 113513187 166145993 /nfs/dbraw/zinc/14/59/93/166145993.db2.gz ANWQEMNSYLIVCY-UHFFFAOYSA-N 0 0 188.226 2.433 10 30 AEEERN C=C1CN1C1CCCCC1 100203451 166146023 /nfs/dbraw/zinc/14/60/23/166146023.db2.gz FEXZPRHYNYLEKF-UHFFFAOYSA-N 0 0 137.226 2.148 10 30 AEEERN C=C1CC[C@H](CC(C)=O)C1 39068907 166146040 /nfs/dbraw/zinc/14/60/40/166146040.db2.gz UXPGODLYTAQGTA-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=C1CC[C@H](OC)C(C)(C)[C@H]1C=O 75576099 166146132 /nfs/dbraw/zinc/14/61/32/166146132.db2.gz YKLZGUCYCPDZIY-UWVGGRQHSA-N 0 0 182.263 2.193 10 30 AEEERN C=C1CCOc2ccccc21 20975714 166146136 /nfs/dbraw/zinc/14/61/36/166146136.db2.gz KGNWOIOTHSSWGW-UHFFFAOYSA-N 0 0 146.189 2.482 10 30 AEEERN C=C1CCc2c(O)cccc21 39058964 166146162 /nfs/dbraw/zinc/14/61/62/166146162.db2.gz FAGDVDBRSVITPP-UHFFFAOYSA-N 0 0 146.189 2.352 10 30 AEEERN C=C1CC[C@@H](C(C)C)C(=O)O1 29205533 166146211 /nfs/dbraw/zinc/14/62/11/166146211.db2.gz ZITGLSYHTRWQAQ-QMMMGPOBSA-N 0 0 154.209 2.109 10 30 AEEERN C=C1CC[C@H](C(C)C)[C@@H](O)C1 39103259 166146258 /nfs/dbraw/zinc/14/62/58/166146258.db2.gz KSMRJNMZQHIJFJ-ZJUUUORDSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1CCC[C@@H]1[C@@H](C)C=O 48546025 166146296 /nfs/dbraw/zinc/14/62/96/166146296.db2.gz BVMZNESIMRIBFK-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1CCN(Cc2cc(C)no2)CC1 334693380 166146394 /nfs/dbraw/zinc/14/63/94/166146394.db2.gz FETHMCHBUYXBAQ-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=C1CCN(C(=O)c2ccccc2)C1 39126302 166146421 /nfs/dbraw/zinc/14/64/21/166146421.db2.gz AGKMWJXNSIAPHF-UHFFFAOYSA-N 0 0 187.242 2.089 10 30 AEEERN C=C1CC[C@@H](O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]12 39111372 166146452 /nfs/dbraw/zinc/14/64/52/166146452.db2.gz QPPHCVAMNVKNPR-IYKVGLELSA-N 0 0 176.259 2.136 10 30 AEEERN C=C1CC[C@]2(C=O)CCCC[C@@]2(O)C1 75596928 166146466 /nfs/dbraw/zinc/14/64/66/166146466.db2.gz YTGOEZMKTRKUOQ-NWDGAFQWSA-N 0 0 194.274 2.217 10 30 AEEERN C=C1CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 336479471 166146518 /nfs/dbraw/zinc/14/65/18/166146518.db2.gz HKWOYHBGFOSOOK-MNOVXSKESA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CC[C@@H](C(=C)C)C[C@H]1O 14588413 166146549 /nfs/dbraw/zinc/14/65/49/166146549.db2.gz PNVTXOFNJFHXOK-NXEZZACHSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN C=C1CC[C@@H](CC(C)=O)C1 39068906 166146552 /nfs/dbraw/zinc/14/65/52/166146552.db2.gz UXPGODLYTAQGTA-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1CCSCC1 5157405 166146570 /nfs/dbraw/zinc/14/65/70/166146570.db2.gz BOJWREQWHOWAEL-UHFFFAOYSA-N 0 0 114.213 2.070 10 30 AEEERN C=C1CC[C@H](C(=C)C)C[C@@H]1O 14588412 166146652 /nfs/dbraw/zinc/14/66/52/166146652.db2.gz PNVTXOFNJFHXOK-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN C=C1CCc2ccc(OC)cc2C1=O 34500590 166146675 /nfs/dbraw/zinc/14/66/75/166146675.db2.gz QFYVRNVSKGYDAG-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=C1CCC[C@H](OC)C1 5998289 166146704 /nfs/dbraw/zinc/14/67/04/166146704.db2.gz GNHABTVGRZMHNF-QMMMGPOBSA-N 0 0 126.199 2.132 10 30 AEEERN C=C1CCCSC1 82762026 166146724 /nfs/dbraw/zinc/14/67/24/166146724.db2.gz ORXNDJXLIIJEEW-UHFFFAOYSA-N 0 0 114.213 2.070 10 30 AEEERN C=C1CC[C@@H](C(C)C)C[C@H]1O 39103257 166146745 /nfs/dbraw/zinc/14/67/45/166146745.db2.gz HHSNCNCDSYZBMC-NXEZZACHSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1CC[C@H](C(C)=O)CC1=C 39069665 166146894 /nfs/dbraw/zinc/14/68/94/166146894.db2.gz QLFIBPPBYSYLQD-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=C1CCC[C@@H](OC)C1 5998168 166146898 /nfs/dbraw/zinc/14/68/98/166146898.db2.gz GNHABTVGRZMHNF-MRVPVSSYSA-N 0 0 126.199 2.132 10 30 AEEERN C=C1CCCC[C@@H]1C(C)=O 5766413 166146917 /nfs/dbraw/zinc/14/69/17/166146917.db2.gz YAYSTHOYRGMPMG-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=C1CCCCN1C(=O)C(F)(F)F 39055134 166147030 /nfs/dbraw/zinc/14/70/30/166147030.db2.gz BUDKJSHXVVIGMP-UHFFFAOYSA-N 0 0 193.168 2.075 10 30 AEEERN C=C1CCc2sccc2C1=O 71488887 166147041 /nfs/dbraw/zinc/14/70/41/166147041.db2.gz LDMYPVZEYCABMP-UHFFFAOYSA-N 0 0 164.229 2.433 10 30 AEEERN C=C1CC[C@@]2(C=O)CCCC[C@@]2(O)C1 75596930 166147080 /nfs/dbraw/zinc/14/70/80/166147080.db2.gz YTGOEZMKTRKUOQ-VXGBXAGGSA-N 0 0 194.274 2.217 10 30 AEEERN C=C1CCC[C@@H]1[C@H](C)C=O 48546027 166147149 /nfs/dbraw/zinc/14/71/49/166147149.db2.gz BVMZNESIMRIBFK-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1CC[C@@H](C(C)=O)CC1=C 39069664 166147201 /nfs/dbraw/zinc/14/72/01/166147201.db2.gz QLFIBPPBYSYLQD-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1CCO[C@@H](CCC)O1 38645383 166147227 /nfs/dbraw/zinc/14/72/27/166147227.db2.gz FAGLUDRGGWLUKA-MRVPVSSYSA-N 0 0 142.198 2.063 10 30 AEEERN C=C1CCc2c(OC)cccc2C1=O 71488914 166147274 /nfs/dbraw/zinc/14/72/74/166147274.db2.gz RCPKABGOMZMALI-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=C1CCC[C@H]1[C@@H](C)C=O 48546021 166147299 /nfs/dbraw/zinc/14/72/99/166147299.db2.gz BVMZNESIMRIBFK-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1CC[C@H](C(C)C)[C@H](O)C1 39103260 166147303 /nfs/dbraw/zinc/14/73/03/166147303.db2.gz KSMRJNMZQHIJFJ-NXEZZACHSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1CCc2c(C)cncc21 38522674 166147320 /nfs/dbraw/zinc/14/73/20/166147320.db2.gz MCILGCYNTDZBGC-UHFFFAOYSA-N 0 0 145.205 2.349 10 30 AEEERN C=C1CC[C@@H](C(=C)C)C[C@@H]1O 14588411 166147345 /nfs/dbraw/zinc/14/73/45/166147345.db2.gz PNVTXOFNJFHXOK-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN C=C1CC[C@@H](OC)C(C)(C)[C@@H]1C=O 105594940 166147395 /nfs/dbraw/zinc/14/73/95/166147395.db2.gz YKLZGUCYCPDZIY-NXEZZACHSA-N 0 0 182.263 2.193 10 30 AEEERN C=C1CCN(C(=O)C[C@H]2C[C@H]2C)CC1 336479469 166147456 /nfs/dbraw/zinc/14/74/56/166147456.db2.gz HKWOYHBGFOSOOK-GHMZBOCLSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CC[C@@]2(C=O)CCCC[C@]2(O)C1 75596925 166147555 /nfs/dbraw/zinc/14/75/55/166147555.db2.gz YTGOEZMKTRKUOQ-NEPJUHHUSA-N 0 0 194.274 2.217 10 30 AEEERN C=C1CC[C@@H](C(C)C)C[C@@H]1O 39103258 166147563 /nfs/dbraw/zinc/14/75/63/166147563.db2.gz HHSNCNCDSYZBMC-ZJUUUORDSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1CCO[C@H](CCC)O1 38645385 166147668 /nfs/dbraw/zinc/14/76/68/166147668.db2.gz FAGLUDRGGWLUKA-QMMMGPOBSA-N 0 0 142.198 2.063 10 30 AEEERN C=C1CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 336479475 166147675 /nfs/dbraw/zinc/14/76/75/166147675.db2.gz HKWOYHBGFOSOOK-WDEREUQCSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CCc2cc(O)ccc21 39058963 166147703 /nfs/dbraw/zinc/14/77/03/166147703.db2.gz AIFXRDHDKPEMRF-UHFFFAOYSA-N 0 0 146.189 2.352 10 30 AEEERN C=C1CN([C@@H](C)c2ccccc2)C1=O 104843657 166147706 /nfs/dbraw/zinc/14/77/06/166147706.db2.gz MBZHRMNZWIJOTJ-JTQLQIEISA-N 0 0 187.242 2.146 10 30 AEEERN C=C1CC[C@@H](OC)C(C)(C)[C@H]1C=O 75576098 166147763 /nfs/dbraw/zinc/14/77/63/166147763.db2.gz YKLZGUCYCPDZIY-VHSXEESVSA-N 0 0 182.263 2.193 10 30 AEEERN C=C1CCCC[C@H]1C(C)=O 105332580 166147767 /nfs/dbraw/zinc/14/77/67/166147767.db2.gz YAYSTHOYRGMPMG-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1C[C@H]1CCCC(C)=O 39068837 166148016 /nfs/dbraw/zinc/14/80/16/166148016.db2.gz NVGUDPUZIBCXBK-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1C[C@H](C=O)C(C)(C)[C@H]1C 75539746 166148053 /nfs/dbraw/zinc/14/80/53/166148053.db2.gz FWXDOIYGAUTGPM-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@@H](CCCC)OC1=O 104832123 166148113 /nfs/dbraw/zinc/14/81/13/166148113.db2.gz UYHAOVWDFLWADN-MRVPVSSYSA-N 0 0 154.209 2.048 10 30 AEEERN C=C1C[C@@](CC)(CCC)OC1=O 104844586 166148146 /nfs/dbraw/zinc/14/81/46/166148146.db2.gz JGAUTTULBLPXLV-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN C=C1COc2ccc(C)cc2C1=O 71488925 166148156 /nfs/dbraw/zinc/14/81/56/166148156.db2.gz SIEVXPRXIUIDLD-UHFFFAOYSA-N 0 0 174.199 2.126 10 30 AEEERN C=C1C[C@H](CCCCC)NC1=O 28477851 166148197 /nfs/dbraw/zinc/14/81/97/166148197.db2.gz MGCOXYYNCNMDPH-VIFPVBQESA-N 0 0 167.252 2.011 10 30 AEEERN C=C1C[C@@]2(C(C)C)C[C@H]2C1=O 39103046 166148250 /nfs/dbraw/zinc/14/82/50/166148250.db2.gz JQCUFJUKWMUPCK-WPRPVWTQSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1CO[C@@H](c2ccco2)C1 36447899 166148274 /nfs/dbraw/zinc/14/82/74/166148274.db2.gz QZUPCCVUOIFMMW-SECBINFHSA-N 0 0 150.177 2.297 10 30 AEEERN C=C1CO[C@@H]2CCCC[C@H]12 25878707 166148311 /nfs/dbraw/zinc/14/83/11/166148311.db2.gz ZYYJKMVNOHIKQF-RKDXNWHRSA-N 0 0 138.210 2.132 10 30 AEEERN C=C1C[C@H](c2ccccc2)C(=O)O1 34589217 166148328 /nfs/dbraw/zinc/14/83/28/166148328.db2.gz OLLKQNTZAYZPSS-SNVBAGLBSA-N 0 0 174.199 2.231 10 30 AEEERN C=C1C[C@@H](C=O)C(C)(C)[C@@H]1C 75539749 166148348 /nfs/dbraw/zinc/14/83/48/166148348.db2.gz FWXDOIYGAUTGPM-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@@H](O)C(C)(C)CC1=C 104839690 166148416 /nfs/dbraw/zinc/14/84/16/166148416.db2.gz KVOLAOXJIYXTLW-SECBINFHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C1Cc2sccc2C1=O 71488922 166148422 /nfs/dbraw/zinc/14/84/22/166148422.db2.gz ZZDVWHNOSMELEX-UHFFFAOYSA-N 0 0 150.202 2.043 10 30 AEEERN C=C1C[C@@H]1CCCC(C)=O 39068838 166148518 /nfs/dbraw/zinc/14/85/18/166148518.db2.gz NVGUDPUZIBCXBK-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=C1COc2ccccc2OC1 32200957 166148525 /nfs/dbraw/zinc/14/85/25/166148525.db2.gz BXQMNWLHBMJTGG-UHFFFAOYSA-N 0 0 162.188 2.014 10 30 AEEERN C=C1C[C@H]2CC(O)C[C@@H](C1)C2 17823140 166148534 /nfs/dbraw/zinc/14/85/34/166148534.db2.gz ZOEABCSXGLYIIV-ULKQDVFKSA-N 0 0 152.237 2.114 10 30 AEEERN C=C1Cc2c(F)cccc2C1=O 71488908 166148681 /nfs/dbraw/zinc/14/86/81/166148681.db2.gz MHCDSONQCGMUFE-UHFFFAOYSA-N 0 0 162.163 2.121 10 30 AEEERN C=C1C[C@]2(C(C)C)C[C@@H]2C1=O 39103045 166148851 /nfs/dbraw/zinc/14/88/51/166148851.db2.gz JQCUFJUKWMUPCK-PSASIEDQSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1CO[C@@H]2CCCC[C@@H]12 25878714 166148901 /nfs/dbraw/zinc/14/89/01/166148901.db2.gz ZYYJKMVNOHIKQF-DTWKUNHWSA-N 0 0 138.210 2.132 10 30 AEEERN C=C1CO[C@H](c2ccco2)C1 36447900 166148903 /nfs/dbraw/zinc/14/89/03/166148903.db2.gz QZUPCCVUOIFMMW-VIFPVBQESA-N 0 0 150.177 2.297 10 30 AEEERN C=C1COc2c(CC)cccc2C1=O 71488951 166148907 /nfs/dbraw/zinc/14/89/07/166148907.db2.gz ITCUNOXCQLGFNY-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=C1C[C@@H](c2ccccc2)N1C(C)=O 39126317 166148914 /nfs/dbraw/zinc/14/89/14/166148914.db2.gz BKPXAANMOXPTLO-LBPRGKRZSA-N 0 0 187.242 2.494 10 30 AEEERN C=C1COc2c(C)cccc2C1=O 71488939 166148925 /nfs/dbraw/zinc/14/89/25/166148925.db2.gz YWXZAENSVUIITA-UHFFFAOYSA-N 0 0 174.199 2.126 10 30 AEEERN C=C1CO[C@H](C=C(C)C)C1 104846131 166148937 /nfs/dbraw/zinc/14/89/37/166148937.db2.gz FYBKSZCSUZOPAF-SECBINFHSA-N 0 0 138.210 2.298 10 30 AEEERN C=C1C[C@@H](c2ccccc2)OC1=O 2042913 166148942 /nfs/dbraw/zinc/14/89/42/166148942.db2.gz QQZWJUGXPKGMND-JTQLQIEISA-N 0 0 174.199 2.231 10 30 AEEERN C=C1C[C@@H]2CC[C@@]1(NC(C)=O)C2(C)C 39112299 166148966 /nfs/dbraw/zinc/14/89/66/166148966.db2.gz KBZLRPOKEGQJAF-JQWIXIFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1C[C@H](CCCCC)OC1=O 28474892 166148970 /nfs/dbraw/zinc/14/89/70/166148970.db2.gz QBBQLCAVRUMYJL-VIFPVBQESA-N 0 0 168.236 2.438 10 30 AEEERN C=C1C[C@@H](C=O)C(C)(C)[C@H]1C 75539750 166148998 /nfs/dbraw/zinc/14/89/98/166148998.db2.gz FWXDOIYGAUTGPM-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@H](c2ccccc2)N1C(C)=O 39126318 166149127 /nfs/dbraw/zinc/14/91/27/166149127.db2.gz BKPXAANMOXPTLO-GFCCVEGCSA-N 0 0 187.242 2.494 10 30 AEEERN C=C1C[C@](CC)(CCC)OC1=O 104844589 166149140 /nfs/dbraw/zinc/14/91/40/166149140.db2.gz JGAUTTULBLPXLV-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN C=C1COc2c(Cl)cccc2C1=O 71488947 166149185 /nfs/dbraw/zinc/14/91/85/166149185.db2.gz JWFOVHNQYVMSKA-UHFFFAOYSA-N 0 0 194.617 2.471 10 30 AEEERN C=C1Cc2c(C)cccc2C1=O 71488906 166149223 /nfs/dbraw/zinc/14/92/23/166149223.db2.gz SSFGYVOJQHPXHZ-UHFFFAOYSA-N 0 0 158.200 2.290 10 30 AEEERN C=C1CO[C@H]2CCCC[C@H]12 25878710 166149255 /nfs/dbraw/zinc/14/92/55/166149255.db2.gz ZYYJKMVNOHIKQF-BDAKNGLRSA-N 0 0 138.210 2.132 10 30 AEEERN C=C1C[C@@H](CCCCC)NC1=O 28477849 166149356 /nfs/dbraw/zinc/14/93/56/166149356.db2.gz MGCOXYYNCNMDPH-SECBINFHSA-N 0 0 167.252 2.011 10 30 AEEERN C=C1C[C@H](CCCC)OC1=O 104832126 166149419 /nfs/dbraw/zinc/14/94/19/166149419.db2.gz UYHAOVWDFLWADN-QMMMGPOBSA-N 0 0 154.209 2.048 10 30 AEEERN C=C1C[C@H](c2ccccc2)OC1=O 1700059 166149424 /nfs/dbraw/zinc/14/94/24/166149424.db2.gz QQZWJUGXPKGMND-SNVBAGLBSA-N 0 0 174.199 2.231 10 30 AEEERN C=C1C[C@H](C=O)C(C)(C)[C@@H]1C 75539745 166149459 /nfs/dbraw/zinc/14/94/59/166149459.db2.gz FWXDOIYGAUTGPM-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1Cc2ccc(F)cc2C1=O 71488896 166149463 /nfs/dbraw/zinc/14/94/63/166149463.db2.gz GMNYMKOFNZAZEY-UHFFFAOYSA-N 0 0 162.163 2.121 10 30 AEEERN C=C1C[C@H](c2ccccc2)N(C)C1=O 39185287 166149500 /nfs/dbraw/zinc/14/95/00/166149500.db2.gz IPOLJDAHUDUPIC-LLVKDONJSA-N 0 0 187.242 2.146 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)OCC 39326107 166149512 /nfs/dbraw/zinc/14/95/12/166149512.db2.gz RONIWIHVEFDOSW-AOOOYVTPSA-N 0 0 195.262 2.326 10 30 AEEERN C=C1C[C@@H]2CC[C@@]1(O)C2(C)C 38324831 166149564 /nfs/dbraw/zinc/14/95/64/166149564.db2.gz JPDHJUBPMAKIAA-WPRPVWTQSA-N 0 0 152.237 2.114 10 30 AEEERN C=C1C[C@@H](c2ccccc2)N(C)C1=O 39185286 166149656 /nfs/dbraw/zinc/14/96/56/166149656.db2.gz IPOLJDAHUDUPIC-NSHDSACASA-N 0 0 187.242 2.146 10 30 AEEERN C=C1COC(C)(C)O[C@H]1C(C)C 39104423 166149683 /nfs/dbraw/zinc/14/96/83/166149683.db2.gz QRNJOGNHFVJGMF-VIFPVBQESA-N 0 0 170.252 2.350 10 30 AEEERN C=C1C[C@H](C2CCCCC2)OC1=O 36420084 166149726 /nfs/dbraw/zinc/14/97/26/166149726.db2.gz KEYLCKKBSXUNBS-SNVBAGLBSA-N 0 0 180.247 2.438 10 30 AEEERN C=C1COC(=O)C1(C(C)C)C(C)C 104844748 166149764 /nfs/dbraw/zinc/14/97/64/166149764.db2.gz NJHQZFDMRGFXEU-UHFFFAOYSA-N 0 0 182.263 2.398 10 30 AEEERN C=C1CO[C@H]2CCCC[C@@H]12 25878718 166149773 /nfs/dbraw/zinc/14/97/73/166149773.db2.gz ZYYJKMVNOHIKQF-IUCAKERBSA-N 0 0 138.210 2.132 10 30 AEEERN C=C1C[C@@H](c2ccccc2)C(=O)O1 34589219 166149774 /nfs/dbraw/zinc/14/97/74/166149774.db2.gz OLLKQNTZAYZPSS-JTQLQIEISA-N 0 0 174.199 2.231 10 30 AEEERN C=C1C[C@](C)(c2ccccc2)OC1=O 6032042 166149796 /nfs/dbraw/zinc/14/97/96/166149796.db2.gz JHUHFCGGZYVSLQ-GFCCVEGCSA-N 0 0 188.226 2.405 10 30 AEEERN C=C1C[C@@H](CCCCC)OC1=O 28474889 166149801 /nfs/dbraw/zinc/14/98/01/166149801.db2.gz QBBQLCAVRUMYJL-SECBINFHSA-N 0 0 168.236 2.438 10 30 AEEERN C=C1COC(=O)N1c1ccc(C)cc1 8843965 166149802 /nfs/dbraw/zinc/14/98/02/166149802.db2.gz DQTMIQBEWPCNPE-UHFFFAOYSA-N 0 0 189.214 2.465 10 30 AEEERN C=C1COc2ccc(CC)cc2C1=O 71488927 166149815 /nfs/dbraw/zinc/14/98/15/166149815.db2.gz PTTRLYSCERQZIB-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=C1C[C@@H](C2CCCCC2)OC1=O 36420085 166149839 /nfs/dbraw/zinc/14/98/39/166149839.db2.gz KEYLCKKBSXUNBS-JTQLQIEISA-N 0 0 180.247 2.438 10 30 AEEERN C=C1CO[C@@H](C=C(C)C)C1 104846133 166149892 /nfs/dbraw/zinc/14/98/92/166149892.db2.gz FYBKSZCSUZOPAF-VIFPVBQESA-N 0 0 138.210 2.298 10 30 AEEERN C=C1COc2ccc(Cl)cc2C1=O 71488934 166149970 /nfs/dbraw/zinc/14/99/70/166149970.db2.gz DWQFHTNLPMAYEJ-UHFFFAOYSA-N 0 0 194.617 2.471 10 30 AEEERN C=C1C[C@@](C)(c2ccccc2)OC1=O 6067268 166149990 /nfs/dbraw/zinc/14/99/90/166149990.db2.gz JHUHFCGGZYVSLQ-LBPRGKRZSA-N 0 0 188.226 2.405 10 30 AEEERN C=C1Cc2ccc(C)cc2C1=O 71488890 166150000 /nfs/dbraw/zinc/15/00/00/166150000.db2.gz FOPXVVFMURAZAV-UHFFFAOYSA-N 0 0 158.200 2.290 10 30 AEEERN C=C1C[C@H](O)C(C)(C)CC1=C 104839687 166150029 /nfs/dbraw/zinc/15/00/29/166150029.db2.gz KVOLAOXJIYXTLW-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN C=C1[C@@H](O)CCC[C@H]1C(C)C 39103296 166150556 /nfs/dbraw/zinc/15/05/56/166150556.db2.gz SUAXZQGZNRZXFN-UWVGGRQHSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1[C@H](O)CCC[C@@H]1C(C)C 39103299 166150570 /nfs/dbraw/zinc/15/05/70/166150570.db2.gz SUAXZQGZNRZXFN-NXEZZACHSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1[C@H](NC(C)=O)C[C@H]2C[C@@H]1C2(C)C 5291392 166150597 /nfs/dbraw/zinc/15/05/97/166150597.db2.gz PZRLXIOKZQHVRR-OUAUKWLOSA-N 0 0 193.290 2.113 10 30 AEEERN C=C1N(C)c2ncccc2C1(C)C 5138573 166150634 /nfs/dbraw/zinc/15/06/34/166150634.db2.gz NGFQLLYOAHLAJX-UHFFFAOYSA-N 0 0 174.247 2.323 10 30 AEEERN C=C1O[C@H](CC(C)C)C[C@H]1OC 39089722 166150663 /nfs/dbraw/zinc/15/06/63/166150663.db2.gz IDFKKPYRBFCCHW-NXEZZACHSA-N 0 0 170.252 2.350 10 30 AEEERN C=C1O[C@H](CCC)OC1(C)C 39422900 166150704 /nfs/dbraw/zinc/15/07/04/166150704.db2.gz KWINIFGLGOBXBU-QMMMGPOBSA-N 0 0 156.225 2.452 10 30 AEEERN C=C=C(CCCC)C(C)=O 39068902 166150709 /nfs/dbraw/zinc/15/07/09/166150709.db2.gz QJIGYLRGFMMLTN-UHFFFAOYSA-N 0 0 138.210 2.477 10 30 AEEERN C=C1O[C@@](C)(CC)OC1(C)C 39422892 166150782 /nfs/dbraw/zinc/15/07/82/166150782.db2.gz YRGXREWEWRAYML-SECBINFHSA-N 0 0 156.225 2.452 10 30 AEEERN C=C1[C@H]2CC[C@]1(C)C(=O)C=C2C 39116145 166150814 /nfs/dbraw/zinc/15/08/14/166150814.db2.gz YAUCTOFFWHFASV-ONGXEEELSA-N 0 0 162.232 2.488 10 30 AEEERN C=C=C(C)C1=CCCCC1=O 39049639 166150835 /nfs/dbraw/zinc/15/08/35/166150835.db2.gz BOVYKPPJBYNRLD-UHFFFAOYSA-N 0 0 148.205 2.397 10 30 AEEERN C=C1O[C@](C)(CC)OC1(C)C 39422893 166150898 /nfs/dbraw/zinc/15/08/98/166150898.db2.gz YRGXREWEWRAYML-VIFPVBQESA-N 0 0 156.225 2.452 10 30 AEEERN C=C1[C@@H](C)C=CC[C@@H]1C(C)=O 100219938 166151052 /nfs/dbraw/zinc/15/10/52/166151052.db2.gz KGABDZJINSPOJD-XVKPBYJWSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1[C@@H](C)C=CC[C@H]1C(C)=O 100219941 166151065 /nfs/dbraw/zinc/15/10/65/166151065.db2.gz KGABDZJINSPOJD-OIBJUYFYSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1[C@@H](O)CCC[C@@H]1C(C)C 39103297 166151250 /nfs/dbraw/zinc/15/12/50/166151250.db2.gz SUAXZQGZNRZXFN-ZJUUUORDSA-N 0 0 154.253 2.360 10 30 AEEERN C=C1OC(=O)O[C@@]1(C)C(C)C 39103410 166151354 /nfs/dbraw/zinc/15/13/54/166151354.db2.gz RRODUMOLIQJUDI-QMMMGPOBSA-N 0 0 156.181 2.082 10 30 AEEERN C=C1[C@@H]2CC[C@@]1(C)C(=O)C=C2C 39038364 166151530 /nfs/dbraw/zinc/15/15/30/166151530.db2.gz YAUCTOFFWHFASV-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C=C1OC(=O)OC1(CC)CC 34144094 166151536 /nfs/dbraw/zinc/15/15/36/166151536.db2.gz HAVHQVKVFDVVAK-UHFFFAOYSA-N 0 0 156.181 2.226 10 30 AEEERN C=C1[C@H](C)C=CC[C@H]1C(C)=O 39069675 166151748 /nfs/dbraw/zinc/15/17/48/166151748.db2.gz KGABDZJINSPOJD-GMSGAONNSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1OC(=O)O[C@]1(C)C(C)C 39103409 166151761 /nfs/dbraw/zinc/15/17/61/166151761.db2.gz RRODUMOLIQJUDI-MRVPVSSYSA-N 0 0 156.181 2.082 10 30 AEEERN C=C1O[C@@H](CCC)OC1(C)C 39422899 166151773 /nfs/dbraw/zinc/15/17/73/166151773.db2.gz KWINIFGLGOBXBU-MRVPVSSYSA-N 0 0 156.225 2.452 10 30 AEEERN C=C1[C@@H](C(C)=O)CC=C[C@H]1C 100219936 166151831 /nfs/dbraw/zinc/15/18/31/166151831.db2.gz KGABDZJINSPOJD-XCBNKYQSSA-N 0 0 150.221 2.344 10 30 AEEERN C=C1[C@@H](NC(C)=O)C[C@H]2C[C@@H]1C2(C)C 5291418 166151857 /nfs/dbraw/zinc/15/18/57/166151857.db2.gz PZRLXIOKZQHVRR-VWYCJHECSA-N 0 0 193.290 2.113 10 30 AEEERN C=C1[C@H](C(C)C)CCC[C@H]1O 39103298 166151866 /nfs/dbraw/zinc/15/18/66/166151866.db2.gz SUAXZQGZNRZXFN-VHSXEESVSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC(=O)c1cc(F)ccc1F 2579527 166158160 /nfs/dbraw/zinc/15/81/60/166158160.db2.gz ZVYFKDLJLWRDME-UHFFFAOYSA-N 0 0 168.142 2.334 10 30 AEEERN CCC(=O)C(=O)c1ccc(Cl)cc1 101192137 166158293 /nfs/dbraw/zinc/15/82/93/166158293.db2.gz USQTYGAWNWKOEV-JTQLQIEISA-N 0 0 196.633 2.129 10 30 AEEERN C=CC(=O)[C@@H](C)CCC 14591966 166158533 /nfs/dbraw/zinc/15/85/33/166158533.db2.gz FMZDFRXBZBPNSU-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC(=O)c1ccc(F)c(F)c1 2579533 166158746 /nfs/dbraw/zinc/15/87/46/166158746.db2.gz UXKQCXXIYTUOIK-UHFFFAOYSA-N 0 0 168.142 2.334 10 30 AEEERN C=CC(=O)c1cccc(OC)c1 2579518 166158751 /nfs/dbraw/zinc/15/87/51/166158751.db2.gz RVQAXSWDOJVIJA-UHFFFAOYSA-N 0 0 162.188 2.064 10 30 in-vitro AEEERN C=CC(=O)c1cc(F)cc(F)c1 2579537 166158772 /nfs/dbraw/zinc/15/87/72/166158772.db2.gz OLGJBEOEYFFBBC-UHFFFAOYSA-N 0 0 168.142 2.334 10 30 AEEERN C=CC(=O)c1cc(OC)ccc1OC 2579528 166158810 /nfs/dbraw/zinc/15/88/10/166158810.db2.gz FPHMTTKTECUHQA-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN C=CC(=O)c1cccc(F)c1 2579515 166159018 /nfs/dbraw/zinc/15/90/18/166159018.db2.gz YADBCZBKYPVUTC-UHFFFAOYSA-N 0 0 150.152 2.194 10 30 AEEERN C=CC(=O)c1ccc(OC)c(OC)c1 2579534 166159077 /nfs/dbraw/zinc/15/90/77/166159077.db2.gz VCBDQIDKIFMZBA-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN C=CC(=O)c1ccccc1OC 2579517 166159107 /nfs/dbraw/zinc/15/91/07/166159107.db2.gz POQLWIZNHFQFSK-UHFFFAOYSA-N 0 0 162.188 2.064 10 30 AEEERN C=CC(=O)c1ccc(OC)c(F)c1 71498092 166159372 /nfs/dbraw/zinc/15/93/72/166159372.db2.gz HAJGFNNMEBLUFV-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C=CC(=O)c1ccc(OC)cc1OC 2579524 166159465 /nfs/dbraw/zinc/15/94/65/166159465.db2.gz IWDTWTCJVVNABE-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN C=CC(=O)c1cc(C)ccc1OC 71496999 166159520 /nfs/dbraw/zinc/15/95/20/166159520.db2.gz UHEIDOGEWSUNIO-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C=CC(=O)c1ccc2c(c1)CCCO2 82530073 166159533 /nfs/dbraw/zinc/15/95/33/166159533.db2.gz VHTXVTZZTDHVEZ-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=CC(=O)c1c(F)cccc1F 2579529 166159632 /nfs/dbraw/zinc/15/96/32/166159632.db2.gz DBPAIPSIBYLXKX-UHFFFAOYSA-N 0 0 168.142 2.334 10 30 AEEERN C=CC(=O)c1ccc(C)cc1 2579507 166159703 /nfs/dbraw/zinc/15/97/03/166159703.db2.gz XHCPTPNCDKFRPZ-UHFFFAOYSA-N 0 0 146.189 2.364 10 30 AEEERN C=CC(=O)c1cc(F)ccc1OC 71498095 166159712 /nfs/dbraw/zinc/15/97/12/166159712.db2.gz HMJSMDLZQBVYEF-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C=CC(=O)[C@H](C)CCC 14591965 166159769 /nfs/dbraw/zinc/15/97/69/166159769.db2.gz FMZDFRXBZBPNSU-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC(=O)c1cccc(C)c1 2579506 166159783 /nfs/dbraw/zinc/15/97/83/166159783.db2.gz WPNYTQHRCHESCN-UHFFFAOYSA-N 0 0 146.189 2.364 10 30 AEEERN CCC(=O)C(=O)c1ccc(Cl)cc1 101192135 166159788 /nfs/dbraw/zinc/15/97/88/166159788.db2.gz USQTYGAWNWKOEV-SNVBAGLBSA-N 0 0 196.633 2.129 10 30 AEEERN C=CC(=O)c1ccccc1C 2579505 166159795 /nfs/dbraw/zinc/15/97/95/166159795.db2.gz IRHOMHHGLFTQAB-UHFFFAOYSA-N 0 0 146.189 2.364 10 30 AEEERN C=CC(=O)c1ccc(OC)c(C)c1 71496997 166159832 /nfs/dbraw/zinc/15/98/32/166159832.db2.gz OWLVHEUYBCVLJN-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C=CC(=O)c1ccc(F)cc1F 2579523 166159882 /nfs/dbraw/zinc/15/98/82/166159882.db2.gz PRSPFQORFUZLMD-UHFFFAOYSA-N 0 0 168.142 2.334 10 30 AEEERN C=CC(=O)c1ccc(OCC)cc1 27228732 166159925 /nfs/dbraw/zinc/15/99/25/166159925.db2.gz ZBOSXTFCZNZKEE-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=CC/C=C/CCC=O 75521113 166160542 /nfs/dbraw/zinc/16/05/42/166160542.db2.gz IUWNOJSDBXCPJV-SNAWJCMRSA-N 0 0 124.183 2.098 10 30 AEEERN C=CC1(O)CCC(C)CC1 83813183 166160641 /nfs/dbraw/zinc/16/06/41/166160641.db2.gz BZBLEYGVQKFOTN-UHFFFAOYSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC1=CC(=O)CCC1(C)C 21998382 166160698 /nfs/dbraw/zinc/16/06/98/166160698.db2.gz BHNLFJRIEJRHDL-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC/C=C/CCC(=O)OCC 5855068 166160727 /nfs/dbraw/zinc/16/07/27/166160727.db2.gz LNOWXPKCCJROHI-VOTSOKGWSA-N 0 0 168.236 2.462 10 30 endogenous,in-man AEEERN C=CC(C)(C)CC(=S)N(C)C 39124591 166161051 /nfs/dbraw/zinc/16/10/51/166161051.db2.gz WRZQNIAFESGQFA-UHFFFAOYSA-N 0 0 171.309 2.478 10 30 AEEERN C=CC(C)(C)c1cccc(N)c1N 95930806 166161199 /nfs/dbraw/zinc/16/11/99/166161199.db2.gz AWISAJZXBOCVNM-UHFFFAOYSA-N 0 0 176.263 2.315 10 30 AEEERN C=CC(C)(C)[C@@H](C)C=O 39038062 166161293 /nfs/dbraw/zinc/16/12/93/166161293.db2.gz FXUJDZUKZCYJRH-ZETCQYMHSA-N 0 0 126.199 2.034 10 30 AEEERN C=CC1(O)CCCCCC1 32068203 166161631 /nfs/dbraw/zinc/16/16/31/166161631.db2.gz UZGQLAXYSBTPEF-UHFFFAOYSA-N 0 0 140.226 2.258 10 30 AEEERN C=CC1=C[C@H](C(C)C)CC1=O 39103023 166161693 /nfs/dbraw/zinc/16/16/93/166161693.db2.gz DNSQPYSSWJPMIJ-VIFPVBQESA-N 0 0 150.221 2.344 10 30 AEEERN C=CC/C(C)=C\C(C)=O 100217256 166161890 /nfs/dbraw/zinc/16/18/90/166161890.db2.gz DAJDVEKGELIWBV-SREVYHEPSA-N 0 0 124.183 2.098 10 30 AEEERN C=CC(C)(C)C(=O)N1CC[C@@H]1C1CC1 334691070 166161901 /nfs/dbraw/zinc/16/19/01/166161901.db2.gz WJYWEZJLRRRRJJ-SNVBAGLBSA-N 0 0 193.290 2.210 10 30 AEEERN C=CC(C)(C)C(=O)N1CC[C@H]1C1CC1 334691068 166161903 /nfs/dbraw/zinc/16/19/03/166161903.db2.gz WJYWEZJLRRRRJJ-JTQLQIEISA-N 0 0 193.290 2.210 10 30 AEEERN C=CC1=C(C)C(=O)CCC1 62715326 166161957 /nfs/dbraw/zinc/16/19/57/166161957.db2.gz QAICGYMUDJMDBB-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN C=CC(CCC=O)=C(C)C 75526593 166162182 /nfs/dbraw/zinc/16/21/82/166162182.db2.gz SMWYVHOPFIKAPX-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC1=C[C@@H](C(C)C)CC1=O 39103024 166162258 /nfs/dbraw/zinc/16/22/58/166162258.db2.gz DNSQPYSSWJPMIJ-SECBINFHSA-N 0 0 150.221 2.344 10 30 AEEERN C=CC(C)(C)n1nnc2ccccc21 5284375 166162310 /nfs/dbraw/zinc/16/23/10/166162310.db2.gz IBXZUALGVOOIMB-UHFFFAOYSA-N 0 0 187.246 2.352 10 30 AEEERN C=CC1OCc2ccccc2CO1 36420023 166162423 /nfs/dbraw/zinc/16/24/23/166162423.db2.gz PQAODJNNLDUKSA-UHFFFAOYSA-N 0 0 176.215 2.246 10 30 AEEERN C=CC/N=C(/C)c1cccn1C 39081698 166162467 /nfs/dbraw/zinc/16/24/67/166162467.db2.gz LNARNAARRBHPKZ-LUAWRHEFSA-N 0 0 162.236 2.020 10 30 AEEERN C=CC1(C=O)CCCCC1 39212365 166162488 /nfs/dbraw/zinc/16/24/88/166162488.db2.gz MSNTVHOIKSHHDZ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC(C)(C)[C@H](C)C=O 39038063 166162601 /nfs/dbraw/zinc/16/26/01/166162601.db2.gz FXUJDZUKZCYJRH-SSDOTTSWSA-N 0 0 126.199 2.034 10 30 AEEERN C=CC/C(C)=C/C(C)=O 39068116 166162705 /nfs/dbraw/zinc/16/27/05/166162705.db2.gz DAJDVEKGELIWBV-VOTSOKGWSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCC(=O)CC(F)(F)F 42413153 166163085 /nfs/dbraw/zinc/16/30/85/166163085.db2.gz LDWRNLQGVKQLRC-UHFFFAOYSA-N 0 0 152.115 2.084 10 30 AEEERN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H]1C 335645027 166163119 /nfs/dbraw/zinc/16/31/19/166163119.db2.gz KKZWKKIZKPTBHC-ZJUUUORDSA-N 0 0 195.306 2.456 10 30 AEEERN C=CCC(=O)Cc1ccccc1 38363013 166163416 /nfs/dbraw/zinc/16/34/16/166163416.db2.gz ILVLMVDQZFJDSX-UHFFFAOYSA-N 0 0 160.216 2.374 10 30 AEEERN C=CCC(=O)c1cccc(O)c1 49804766 166163422 /nfs/dbraw/zinc/16/34/22/166163422.db2.gz UPKGSWPWPDXLSS-UHFFFAOYSA-N 0 0 162.188 2.151 10 30 AEEERN C=CCC(=O)Cc1ccsc1 90373247 166163517 /nfs/dbraw/zinc/16/35/17/166163517.db2.gz JDTSSMLRKHSFOR-UHFFFAOYSA-N 0 0 166.245 2.436 10 30 AEEERN CC=CC(=O)C#Cc1ccccc1 15784506 166163602 /nfs/dbraw/zinc/16/36/02/166163602.db2.gz RSMUJLCSMVDQMJ-UHFFFAOYSA-N 0 0 170.211 2.183 10 30 AEEERN C=CCC(=O)c1ccccc1OC 104466191 166163629 /nfs/dbraw/zinc/16/36/29/166163629.db2.gz JACMTCVYLBIIEK-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=CCC1=C(OC)CCCC1=O 34588971 166163651 /nfs/dbraw/zinc/16/36/51/166163651.db2.gz QUFVSAZDPAWYBF-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=CCC(=O)CC(C)C 34454784 166163686 /nfs/dbraw/zinc/16/36/86/166163686.db2.gz WTTWAQIICQLHNY-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCC1(C(=O)N2CCCC2)CCC1 170610877 166163954 /nfs/dbraw/zinc/16/39/54/166163954.db2.gz IAPAUPYIQNCTLK-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@@H]1C 335645025 166163990 /nfs/dbraw/zinc/16/39/90/166163990.db2.gz KKZWKKIZKPTBHC-UWVGGRQHSA-N 0 0 195.306 2.456 10 30 AEEERN C=CCC(C)(C)[C@H]1COC(=O)C1 90735333 166164104 /nfs/dbraw/zinc/16/41/04/166164104.db2.gz WFSUDHAWDLHBKJ-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCC/C=C/CCCO 34119993 166164278 /nfs/dbraw/zinc/16/42/78/166164278.db2.gz UTEIQLDHIHKUQZ-AATRIKPKSA-N 0 0 140.226 2.281 10 30 AEEERN C=CCC(=O)c1ccc(OC)cc1 104466197 166164289 /nfs/dbraw/zinc/16/42/89/166164289.db2.gz ASNMYXOVZLSHRI-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN CC=CC(=O)c1ccc(C)o1 76577990 166164317 /nfs/dbraw/zinc/16/43/17/166164317.db2.gz JLHRPCRMGKQAND-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN CC=CC(=O)c1ccco1 5283033 166164383 /nfs/dbraw/zinc/16/43/83/166164383.db2.gz INHOSYWZGAASRA-UHFFFAOYSA-N 0 0 136.150 2.038 10 30 AEEERN C=CCC(=O)Oc1ccccc1 34333517 166164430 /nfs/dbraw/zinc/16/44/30/166164430.db2.gz HHIIXBARRDFRHA-UHFFFAOYSA-N 0 0 162.188 2.168 10 30 AEEERN C=CCC(=O)c1ccc2c(c1)OCC2 76632954 166164433 /nfs/dbraw/zinc/16/44/33/166164433.db2.gz GDSZTZPOOIGANX-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H]1C 335645026 166164465 /nfs/dbraw/zinc/16/44/65/166164465.db2.gz KKZWKKIZKPTBHC-VHSXEESVSA-N 0 0 195.306 2.456 10 30 AEEERN C=CCC/C=C/C(C)=O 2014246 166164542 /nfs/dbraw/zinc/16/45/42/166164542.db2.gz WDIFTBWPYIVZNY-VOTSOKGWSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCC(=O)c1ccoc1 34408023 166164558 /nfs/dbraw/zinc/16/45/58/166164558.db2.gz OOOUVUOVDPAHFC-UHFFFAOYSA-N 0 0 136.150 2.038 10 30 AEEERN C=CCC(C)(C)C(=O)N1CC(C)C1 334194996 166164646 /nfs/dbraw/zinc/16/46/46/166164646.db2.gz KAIFILRZQYSDSF-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCC(=O)C(C)(C)C 33841666 166164659 /nfs/dbraw/zinc/16/46/59/166164659.db2.gz SWKBETVLWVHZIB-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCC(=O)c1ccc2c(c1)OCO2 34484650 166164702 /nfs/dbraw/zinc/16/47/02/166164702.db2.gz AGYGFVFCVHYGNO-UHFFFAOYSA-N 0 0 190.198 2.174 10 30 AEEERN CC=CC(=O)C=C(C)C 39184535 166164708 /nfs/dbraw/zinc/16/47/08/166164708.db2.gz QKBCXDWQNBGFKM-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCC1(C#N)CCC1 97053518 166164720 /nfs/dbraw/zinc/16/47/20/166164720.db2.gz CWDZXHUMURCYBT-UHFFFAOYSA-N 0 0 121.183 2.256 10 30 AEEERN C=CCC1=C(C)[C@H](O)CCC1 39059370 166164795 /nfs/dbraw/zinc/16/47/95/166164795.db2.gz QDHUVXAZPXUPNI-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCC(=O)C1CCCC1 34182938 166164807 /nfs/dbraw/zinc/16/48/07/166164807.db2.gz WEZHHKZDPCNPEB-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CCC(C)(C)CC=O 34621575 166164851 /nfs/dbraw/zinc/16/48/51/166164851.db2.gz KJQUCRKOALWQCH-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCC(=O)c1ncccc1C 43616323 166165066 /nfs/dbraw/zinc/16/50/66/166165066.db2.gz OVWLSZAMRWMCNE-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=CCC1=C(C)[C@@H](O)CCC1 39059369 166165101 /nfs/dbraw/zinc/16/51/01/166165101.db2.gz QDHUVXAZPXUPNI-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN CC=CC(=O)c1cnc(C)s1 76596061 166165279 /nfs/dbraw/zinc/16/52/79/166165279.db2.gz DNHJXFZYRPYCMS-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]1C 335645024 166165282 /nfs/dbraw/zinc/16/52/82/166165282.db2.gz KKZWKKIZKPTBHC-NXEZZACHSA-N 0 0 195.306 2.456 10 30 AEEERN C=CCC(=O)c1ccc(O)cc1 33844530 166165285 /nfs/dbraw/zinc/16/52/85/166165285.db2.gz YGGBARODPZZLKL-UHFFFAOYSA-N 0 0 162.188 2.151 10 30 AEEERN C=CCC(C)(C)[C@@H]1COC(=O)C1 90735334 166165334 /nfs/dbraw/zinc/16/53/34/166165334.db2.gz WFSUDHAWDLHBKJ-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCC(=O)COc1ccccc1 34589269 166165502 /nfs/dbraw/zinc/16/55/02/166165502.db2.gz XODAMCMTNXTQII-UHFFFAOYSA-N 0 0 176.215 2.211 10 30 AEEERN C=CCC(=O)c1cccc(OC)c1 104466194 166165518 /nfs/dbraw/zinc/16/55/18/166165518.db2.gz RTIRJBVNTIONAM-UHFFFAOYSA-N 0 0 176.215 2.454 10 30 AEEERN C=CCC(=O)c1ccccc1O 106566365 166165545 /nfs/dbraw/zinc/16/55/45/166165545.db2.gz STBVOAHNYQMQMW-UHFFFAOYSA-N 0 0 162.188 2.151 10 30 AEEERN C=CCC1=C[C@@H](O)CCC1 38220181 166165726 /nfs/dbraw/zinc/16/57/26/166165726.db2.gz ZVQONHQFGNXLIN-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN C=CCC1=C[C@H](O)CCC1 38220180 166165772 /nfs/dbraw/zinc/16/57/72/166165772.db2.gz ZVQONHQFGNXLIN-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN C=CCC1C=CN(C(=O)OC)C=C1 39139315 166165819 /nfs/dbraw/zinc/16/58/19/166165819.db2.gz XXNDQFSXPKYAJU-UHFFFAOYSA-N 0 0 179.219 2.288 10 30 AEEERN C=CCCCc1cc(C)no1 39112834 166166090 /nfs/dbraw/zinc/16/60/90/166166090.db2.gz NNNBCOJAYCVWRU-UHFFFAOYSA-N 0 0 151.209 2.492 10 30 AEEERN C=CCCC[C@H](O)CC 36437523 166166100 /nfs/dbraw/zinc/16/61/00/166166100.db2.gz TVNHCNIXIDWVRO-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN C=CCCOCC(=O)c1ccccc1 50160980 166166164 /nfs/dbraw/zinc/16/61/64/166166164.db2.gz FEGRAOPNASLRFV-UHFFFAOYSA-N 0 0 190.242 2.462 10 30 AEEERN C=CCCOc1ccnc(Cl)n1 51848948 166166316 /nfs/dbraw/zinc/16/63/16/166166316.db2.gz DYDGRFOANCNNJG-UHFFFAOYSA-N 0 0 184.626 2.085 10 30 AEEERN C=CCCCC 59447628 166166585 /nfs/dbraw/zinc/16/65/85/166166585.db2.gz NLZCGINRTSOKFM-UHFFFAOYSA-N 0 0 83.154 2.177 10 30 AEEERN C=CCCOc1ccc(N)cc1 39089502 166166598 /nfs/dbraw/zinc/16/65/98/166166598.db2.gz OZSCDMXYGLIPBH-UHFFFAOYSA-N 0 0 163.220 2.224 10 30 AEEERN C=CCCOc1cc(Cl)nc(C)n1 52834980 166166623 /nfs/dbraw/zinc/16/66/23/166166623.db2.gz TVCONLAIPYFFCP-UHFFFAOYSA-N 0 0 198.653 2.393 10 30 AEEERN C=CCCOCC(=O)C(C)(C)C 50160941 166166667 /nfs/dbraw/zinc/16/66/67/166166667.db2.gz MYTJQBZJEUVWTA-UHFFFAOYSA-N 0 0 170.252 2.194 10 30 AEEERN C=CCCOc1ccc(Cl)nn1 34958426 166166710 /nfs/dbraw/zinc/16/67/10/166166710.db2.gz MHJJXDGVQQJEFI-UHFFFAOYSA-N 0 0 184.626 2.085 10 30 AEEERN C=CCCC[C@H](C)C=O 36437514 166166719 /nfs/dbraw/zinc/16/67/19/166166719.db2.gz OORUMIIDKDTTNO-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCCN(C)C(=O)c1ccccc1 39018017 166166720 /nfs/dbraw/zinc/16/67/20/166166720.db2.gz HPAOSCVTJZJVGK-UHFFFAOYSA-N 0 0 189.258 2.335 10 30 AEEERN C=CCCOc1cc(Cl)ncn1 48631010 166166743 /nfs/dbraw/zinc/16/67/43/166166743.db2.gz IVYOJEPHCILSPD-UHFFFAOYSA-N 0 0 184.626 2.085 10 30 AEEERN C=CCCOC(=O)c1ccccc1N 38523610 166166775 /nfs/dbraw/zinc/16/67/75/166166775.db2.gz HOIMQKJRORGTKY-UHFFFAOYSA-N 0 0 191.230 2.002 10 30 AEEERN C=CCCOc1cccc(O)c1 39168234 166166802 /nfs/dbraw/zinc/16/68/02/166166802.db2.gz HJBCZZWDKVTKJV-UHFFFAOYSA-N 0 0 164.204 2.347 10 30 AEEERN C=CCCOc1cccnc1 39050117 166166862 /nfs/dbraw/zinc/16/68/62/166166862.db2.gz GPKMKGSJXWJVPN-UHFFFAOYSA-N 0 0 149.193 2.037 10 30 AEEERN C=CCCOCCCCC#N 49579576 166167023 /nfs/dbraw/zinc/16/70/23/166167023.db2.gz XVSGLKCJUNEWDS-UHFFFAOYSA-N 0 0 153.225 2.273 10 30 AEEERN C=CCCCn1cccc1 39078169 166167032 /nfs/dbraw/zinc/16/70/32/166167032.db2.gz STBRPFOWRLCTPT-UHFFFAOYSA-N 0 0 135.210 2.454 10 30 AEEERN C=CCCOc1ccccc1O 39202577 166167115 /nfs/dbraw/zinc/16/71/15/166167115.db2.gz YASIMENHCIHGII-UHFFFAOYSA-N 0 0 164.204 2.347 10 30 AEEERN C=CCCNc1ccccc1N 34451236 166167243 /nfs/dbraw/zinc/16/72/43/166167243.db2.gz FVNCZEAEEIXLTM-UHFFFAOYSA-N 0 0 162.236 2.257 10 30 AEEERN C=CCCCc1cc(C)on1 39112835 166167253 /nfs/dbraw/zinc/16/72/53/166167253.db2.gz RTBZFWIHDPHFKI-UHFFFAOYSA-N 0 0 151.209 2.492 10 30 AEEERN C=CCCN(C=O)Cc1ccccc1 90669698 166167286 /nfs/dbraw/zinc/16/72/86/166167286.db2.gz JOCBXALAAANGJG-UHFFFAOYSA-N 0 0 189.258 2.221 10 30 AEEERN C=CCCOc1ccccc1N 70595297 166167291 /nfs/dbraw/zinc/16/72/91/166167291.db2.gz HEOUSKDGGGOEDJ-UHFFFAOYSA-N 0 0 163.220 2.224 10 30 AEEERN C=CCCC[C@@H](O)CC 36437522 166167514 /nfs/dbraw/zinc/16/75/14/166167514.db2.gz TVNHCNIXIDWVRO-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN C=CCCCOCCCc1c[nH]cn1 13560970 166167588 /nfs/dbraw/zinc/16/75/88/166167588.db2.gz WYFOLLZMRULRTG-UHFFFAOYSA-N 0 0 194.278 2.325 10 30 AEEERN C=CCCC[C@H](O)c1ccccn1 32134622 166167872 /nfs/dbraw/zinc/16/78/72/166167872.db2.gz QPTZKDJOXZOBME-NSHDSACASA-N 0 0 177.247 2.471 10 30 AEEERN C=CCCOCC(=O)c1ccco1 50161002 166168023 /nfs/dbraw/zinc/16/80/23/166168023.db2.gz PCEAWIAIRKDZNH-UHFFFAOYSA-N 0 0 180.203 2.055 10 30 AEEERN C=CCCOc1cccc(F)n1 40711366 166168061 /nfs/dbraw/zinc/16/80/61/166168061.db2.gz CAGXKVNTDUOUOQ-UHFFFAOYSA-N 0 0 167.183 2.176 10 30 AEEERN C=CCCOc1cncc(Cl)n1 34958427 166168389 /nfs/dbraw/zinc/16/83/89/166168389.db2.gz ZXXMMOCXNDNHAQ-UHFFFAOYSA-N 0 0 184.626 2.085 10 30 AEEERN C=CCCOCCCCC(C)=O 50160917 166168458 /nfs/dbraw/zinc/16/84/58/166168458.db2.gz IYVXXMLEBCUMSB-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C=CCCC[C@@H](O)c1ccccn1 32134623 166168501 /nfs/dbraw/zinc/16/85/01/166168501.db2.gz QPTZKDJOXZOBME-LLVKDONJSA-N 0 0 177.247 2.471 10 30 AEEERN C=CCC[C@](C)(O)C(=C)C 38948706 166169030 /nfs/dbraw/zinc/16/90/30/166169030.db2.gz LOQFMCZUHHYXRI-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=CCC[C@]1(CC=C)CCNC1=O 222857554 166169275 /nfs/dbraw/zinc/16/92/75/166169275.db2.gz CHUJPPHRZGIMRU-LLVKDONJSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCOc1nc(C)ccc1C#N 43400461 166169448 /nfs/dbraw/zinc/16/94/48/166169448.db2.gz RZZGXEREVQMDNM-UHFFFAOYSA-N 0 0 188.230 2.217 10 30 AEEERN C=CCC[C@@H]1CC[C@H](O)C1 39017177 166169594 /nfs/dbraw/zinc/16/95/94/166169594.db2.gz KLPUTPSOGISIAR-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCCc1ccccc1CO 39120369 166169631 /nfs/dbraw/zinc/16/96/31/166169631.db2.gz SWELAMGVAPXARP-UHFFFAOYSA-N 0 0 162.232 2.298 10 30 AEEERN C=CCC[C@H]1CCCNC1=S 17216537 166169711 /nfs/dbraw/zinc/16/97/11/166169711.db2.gz VXOQFWXXVFOTOX-QMMMGPOBSA-N 0 0 169.293 2.280 10 30 AEEERN C=CCC[C@@](C)(O)C(=C)C 38948704 166169798 /nfs/dbraw/zinc/16/97/98/166169798.db2.gz LOQFMCZUHHYXRI-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN C=CCC[C@@H]1CCC(=O)C1=C 34518875 166169799 /nfs/dbraw/zinc/16/97/99/166169799.db2.gz BFDYDDKYXMBEQF-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCCOc1nccnc1Cl 43536697 166169803 /nfs/dbraw/zinc/16/98/03/166169803.db2.gz PVGPEBBNMIKBTN-UHFFFAOYSA-N 0 0 184.626 2.085 10 30 AEEERN C=CCC[C@H]1CCC(=O)C1=C 34518876 166169814 /nfs/dbraw/zinc/16/98/14/166169814.db2.gz BFDYDDKYXMBEQF-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=CCC[C@H](O)c1ccco1 34951729 166169838 /nfs/dbraw/zinc/16/98/38/166169838.db2.gz UDJYVJWCIAORAU-QMMMGPOBSA-N 0 0 152.193 2.279 10 30 AEEERN C=CCCc1cscn1 39134531 166169858 /nfs/dbraw/zinc/16/98/58/166169858.db2.gz QARCGCSWIQTGOH-UHFFFAOYSA-N 0 0 139.223 2.262 10 30 AEEERN C=CCC[C@@H]1CCCN1C(=O)OC 39126267 166169872 /nfs/dbraw/zinc/16/98/72/166169872.db2.gz AKZFDWQWUSPOQT-SECBINFHSA-N 0 0 183.251 2.183 10 30 AEEERN C=CCCOc1nsnc1Cl 37371926 166169916 /nfs/dbraw/zinc/16/99/16/166169916.db2.gz DXFMJRXWAURSDT-UHFFFAOYSA-N 0 0 190.655 2.146 10 30 AEEERN C=CCC[C@@](C)(O)CC 39258580 166169970 /nfs/dbraw/zinc/16/99/70/166169970.db2.gz NHEPUTZWBISVJH-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 AEEERN C=CCC[C@H]1COC(C)(C)O1 43505107 166170031 /nfs/dbraw/zinc/17/00/31/166170031.db2.gz QJXFGAZSYFTBPD-QMMMGPOBSA-N 0 0 156.225 2.104 10 30 AEEERN C=CCCc1ccc(N)cc1 75537976 166170192 /nfs/dbraw/zinc/17/01/92/166170192.db2.gz JRECTHNXCWJFGI-UHFFFAOYSA-N 0 0 147.221 2.387 10 30 AEEERN C=CCC[C@](C)(O)CC 39258581 166170250 /nfs/dbraw/zinc/17/02/50/166170250.db2.gz NHEPUTZWBISVJH-MRVPVSSYSA-N 0 0 128.215 2.114 10 30 AEEERN C=CCC[C@H]1CC[C@H](O)C1 39017178 166170327 /nfs/dbraw/zinc/17/03/27/166170327.db2.gz KLPUTPSOGISIAR-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCC[C@H](C)C(C)=O 38582204 166170506 /nfs/dbraw/zinc/17/05/06/166170506.db2.gz NYOPIVRWCXPDSF-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCC[C@H]1CC[C@@H](O)C1 39017180 166170559 /nfs/dbraw/zinc/17/05/59/166170559.db2.gz KLPUTPSOGISIAR-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=CCC[C@H]1CCCN1C(=O)OC 39126266 166170630 /nfs/dbraw/zinc/17/06/30/166170630.db2.gz AKZFDWQWUSPOQT-VIFPVBQESA-N 0 0 183.251 2.183 10 30 AEEERN C=CCC[C@@]1(CC=C)CCNC1=O 222857616 166170776 /nfs/dbraw/zinc/17/07/76/166170776.db2.gz CHUJPPHRZGIMRU-NSHDSACASA-N 0 0 179.263 2.035 10 30 AEEERN C=CCC[C@@H]1CCCNC1=S 5836827 166170830 /nfs/dbraw/zinc/17/08/30/166170830.db2.gz VXOQFWXXVFOTOX-MRVPVSSYSA-N 0 0 169.293 2.280 10 30 AEEERN C=CCC[C@@H]1COC(C)(C)O1 43505108 166171045 /nfs/dbraw/zinc/17/10/45/166171045.db2.gz QJXFGAZSYFTBPD-MRVPVSSYSA-N 0 0 156.225 2.104 10 30 AEEERN C=CCN(C)C(=O)Nc1ccccc1 35923649 166172017 /nfs/dbraw/zinc/17/20/17/166172017.db2.gz FRHQOXIFEIRLBL-UHFFFAOYSA-N 0 0 190.246 2.336 10 30 AEEERN C=CCN(C)C(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 335939089 166172103 /nfs/dbraw/zinc/17/21/03/166172103.db2.gz AAWALWWPHUBAHI-PEGIJTEDSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCN(C(C)=O)c1cccs1 39126047 166172290 /nfs/dbraw/zinc/17/22/90/166172290.db2.gz MUHWRYVSBZMDBF-UHFFFAOYSA-N 0 0 181.260 2.287 10 30 AEEERN C=CCN(CC=C)C(=O)N(CC)CC 39402188 166172308 /nfs/dbraw/zinc/17/23/08/166172308.db2.gz GCNMEAWXZDJSHQ-UHFFFAOYSA-N 0 0 196.294 2.122 10 30 AEEERN C=CCN(C)c1ccc(N)c(F)c1 77268357 166172315 /nfs/dbraw/zinc/17/23/15/166172315.db2.gz FLXKPIQGYOPGGQ-UHFFFAOYSA-N 0 0 180.226 2.030 10 30 AEEERN C=CCN(CC#N)c1ccccc1 75562906 166172803 /nfs/dbraw/zinc/17/28/03/166172803.db2.gz WJTWTCXEBLQIAR-UHFFFAOYSA-N 0 0 172.231 2.203 10 30 AEEERN C=CCN(C)C(=O)c1ccc(F)cc1 36420313 166173428 /nfs/dbraw/zinc/17/34/28/166173428.db2.gz DKJNIHVJESCKHQ-UHFFFAOYSA-N 0 0 193.221 2.084 10 30 AEEERN C=CCCn1nnc2ccccc21 5283049 166173511 /nfs/dbraw/zinc/17/35/11/166173511.db2.gz GQGHNIHXFCYKER-UHFFFAOYSA-N 0 0 173.219 2.007 10 30 AEEERN C=CCCn1cccc1 39073480 166173737 /nfs/dbraw/zinc/17/37/37/166173737.db2.gz GDUCZTJTCYZXAO-UHFFFAOYSA-N 0 0 121.183 2.064 10 30 AEEERN C=CCN(CC)C(=O)c1ccccc1 39126381 166174452 /nfs/dbraw/zinc/17/44/52/166174452.db2.gz XJQWLAKFXANCEL-UHFFFAOYSA-N 0 0 189.258 2.335 10 30 AEEERN C=CCN(C)c1cccc(C#N)c1 59184012 166174517 /nfs/dbraw/zinc/17/45/17/166174517.db2.gz XHCXIMZXHOYHDR-UHFFFAOYSA-N 0 0 172.231 2.180 10 30 AEEERN C=CCN1CC2CC1(C(F)(F)F)C2 335127231 166175182 /nfs/dbraw/zinc/17/51/82/166175182.db2.gz CRMDCRFGNVELFW-UHFFFAOYSA-N 0 0 191.196 2.199 10 30 AEEERN C=CCN(CC=C)c1ccc(C=O)o1 31973682 166175300 /nfs/dbraw/zinc/17/53/00/166175300.db2.gz YZHJEYXPRXNOSS-UHFFFAOYSA-N 0 0 191.230 2.271 10 30 AEEERN C=CC[N@@H+]1CCC[C@@H]1c1cccnc1 3638237 166175391 /nfs/dbraw/zinc/17/53/91/166175391.db2.gz CSYQMYZKFFZDIU-GFCCVEGCSA-N 0 0 188.274 2.405 10 30 AEEERN C=CCN(CCC#N)CC(C)C 49800717 166175754 /nfs/dbraw/zinc/17/57/54/166175754.db2.gz GDRTZOFOZAUANI-UHFFFAOYSA-N 0 0 166.268 2.044 10 30 AEEERN C=CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 307548664 166175946 /nfs/dbraw/zinc/17/59/46/166175946.db2.gz MOJOYMCFMNXPNU-MRVPVSSYSA-N 0 0 193.212 2.447 10 30 AEEERN C=CCN1CCCCCC1=S 32208098 166176566 /nfs/dbraw/zinc/17/65/66/166176566.db2.gz OQERJLDPEGSOCB-UHFFFAOYSA-N 0 0 169.293 2.376 10 30 AEEERN C=CCN(CC=C)c1ccnc(C#N)c1 61814887 166177295 /nfs/dbraw/zinc/17/72/95/166177295.db2.gz LSNFBBIULAQMKZ-UHFFFAOYSA-N 0 0 199.257 2.132 10 30 AEEERN C=CCN1C(=S)NC(C)(C)C=C1C 53745 166177506 /nfs/dbraw/zinc/17/75/06/166177506.db2.gz XHXGDMYNZZXYBK-UHFFFAOYSA-N 0 0 196.319 2.045 10 30 AEEERN C=CCN(CC=C)c1cc(C#N)ccn1 19516845 166177829 /nfs/dbraw/zinc/17/78/29/166177829.db2.gz OLDXOEQAIIHKOG-UHFFFAOYSA-N 0 0 199.257 2.132 10 30 AEEERN C=C(C)C(=O)c1ccncc1CC 132813666 343904862 /nfs/dbraw/zinc/90/48/62/343904862.db2.gz DZUISSJWCDFDOX-UHFFFAOYSA-N 0 0 175.231 2.403 10 30 AEEERN C=CC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C 307308298 166180502 /nfs/dbraw/zinc/18/05/02/166180502.db2.gz ZZTXPMVJZZXSBZ-SFYZADRCSA-N 0 0 193.212 2.445 10 30 AEEERN C=CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C 307308299 166180543 /nfs/dbraw/zinc/18/05/43/166180543.db2.gz ZZTXPMVJZZXSBZ-YUMQZZPRSA-N 0 0 193.212 2.445 10 30 AEEERN C=CCNC(=O)N1C[C@@H](C)CC1(C)C 336481742 166182187 /nfs/dbraw/zinc/18/21/87/166182187.db2.gz PUAVUMKXTPLMBO-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)NC(CCC)CCC 3599270 166183086 /nfs/dbraw/zinc/18/30/86/166183086.db2.gz ZUQYRNJZPLAUMM-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C=CCNC(=O)CCCCCC 6041116 166183647 /nfs/dbraw/zinc/18/36/47/166183647.db2.gz CNBNOEGNNKVULV-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN C=CCNC(=O)N1CCCC[C@@H]1CC 196264623 166183760 /nfs/dbraw/zinc/18/37/60/166183760.db2.gz UGIQNCUKIOKBBH-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN C=CCNC(=O)N(C)c1ccccc1 196574696 166183935 /nfs/dbraw/zinc/18/39/35/166183935.db2.gz KAPLYRHTNYKDFD-UHFFFAOYSA-N 0 0 190.246 2.018 10 30 AEEERN C=CCNC(=O)N1CCCC[C@H]1CC 196264615 166184182 /nfs/dbraw/zinc/18/41/82/166184182.db2.gz UGIQNCUKIOKBBH-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCNC(=O)N1C[C@H](C)CC1(C)C 336481741 166184270 /nfs/dbraw/zinc/18/42/70/166184270.db2.gz PUAVUMKXTPLMBO-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC1(C#N)CCC(C)CC1 20177984 166185383 /nfs/dbraw/zinc/18/53/83/166185383.db2.gz LVNLSYZNGIJHAT-UHFFFAOYSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCNC1(C#N)CCCCCC1 51960030 166185671 /nfs/dbraw/zinc/18/56/71/166185671.db2.gz FYMKWKAQOQLFNR-UHFFFAOYSA-N 0 0 178.279 2.379 10 30 AEEERN C=CCNCc1c(F)cccc1F 19875734 166188007 /nfs/dbraw/zinc/18/80/07/166188007.db2.gz IGIVNCOLIMBYPM-UHFFFAOYSA-N 0 0 183.201 2.240 10 30 AEEERN C=CCN[C@@H](C)c1csc(C)n1 36914342 166189039 /nfs/dbraw/zinc/18/90/39/166189039.db2.gz DDZIWXXEESGFDP-ZETCQYMHSA-N 0 0 182.292 2.288 10 30 AEEERN C=CCN[C@@H](C#N)c1ccccc1F 19988418 166189067 /nfs/dbraw/zinc/18/90/67/166189067.db2.gz ZXZHNXFQXGCCNB-NSHDSACASA-N 0 0 190.221 2.166 10 30 AEEERN C=CCN[C@@H](C#N)c1cccs1 19984941 166189129 /nfs/dbraw/zinc/18/91/29/166189129.db2.gz LHGWDRLSOXPOFI-QMMMGPOBSA-N 0 0 178.260 2.088 10 30 AEEERN C=CCN[C@@H](C#N)c1ccccc1C 19987157 166189141 /nfs/dbraw/zinc/18/91/41/166189141.db2.gz ZLMFXRAVCKQQPH-LBPRGKRZSA-N 0 0 186.258 2.335 10 30 AEEERN C=CCN[C@H](C#N)C(CC)CC 51959925 166189317 /nfs/dbraw/zinc/18/93/17/166189317.db2.gz GOMNWBQQBXRVTC-SNVBAGLBSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@H](C#N)[C@H]1CC=CCC1 51960131 166189358 /nfs/dbraw/zinc/18/93/58/166189358.db2.gz QWXINWMOBWTIHK-QWRGUYRKSA-N 0 0 176.263 2.010 10 30 AEEERN C=CCN[C@@H](C#N)CCCCC 51959864 166189439 /nfs/dbraw/zinc/18/94/39/166189439.db2.gz SWZSVYSJSKPYFZ-SNVBAGLBSA-N 0 0 166.268 2.234 10 30 AEEERN C=CCN[C@@]1(C#N)CCCC[C@@H]1C 51959919 166189512 /nfs/dbraw/zinc/18/95/12/166189512.db2.gz MLDDHZKIIKBMOU-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@@](C)(C#N)[C@@H](C)CC 51959851 166189600 /nfs/dbraw/zinc/18/96/00/166189600.db2.gz MRNBDRPPUYXOMZ-UWVGGRQHSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@](C)(C#N)C1CCCC1 54081949 166189676 /nfs/dbraw/zinc/18/96/76/166189676.db2.gz DTZGHQWQVPLDJH-NSHDSACASA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@@]1(C#N)CCC[C@@H](C)C1 51959942 166189759 /nfs/dbraw/zinc/18/97/59/166189759.db2.gz HGCBTEZOZUQPOP-MNOVXSKESA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@H](C#N)c1ccc(F)cc1 19988815 166189773 /nfs/dbraw/zinc/18/97/73/166189773.db2.gz JDRGPRIPHGJYAM-LLVKDONJSA-N 0 0 190.221 2.166 10 30 AEEERN C=CCN[C@@H](C#N)c1ccc(C)cc1 19988001 166189804 /nfs/dbraw/zinc/18/98/04/166189804.db2.gz LGSQZMSSQIVQGM-LBPRGKRZSA-N 0 0 186.258 2.335 10 30 AEEERN C=CCN[C@H](C#N)CCCCC 51959862 166189926 /nfs/dbraw/zinc/18/99/26/166189926.db2.gz SWZSVYSJSKPYFZ-JTQLQIEISA-N 0 0 166.268 2.234 10 30 AEEERN C=CCN[C@H](C#N)c1ccc(C)s1 51960328 166189964 /nfs/dbraw/zinc/18/99/64/166189964.db2.gz AKNIMFROLGKIOD-SECBINFHSA-N 0 0 192.287 2.397 10 30 AEEERN C=CCN[C@@H](C#N)c1ccc(C)s1 51960330 166190064 /nfs/dbraw/zinc/19/00/64/166190064.db2.gz AKNIMFROLGKIOD-VIFPVBQESA-N 0 0 192.287 2.397 10 30 AEEERN C=CC[NH2+][C@@H](CCCCCC)C(=O)[O-] 51960531 166190128 /nfs/dbraw/zinc/19/01/28/166190128.db2.gz GYKFTUPPBUAIHL-JTQLQIEISA-N 0 0 199.294 2.186 10 30 AEEERN C=CCN[C@H](C#N)c1ccccc1 19986712 166190268 /nfs/dbraw/zinc/19/02/68/166190268.db2.gz USGUGFSZFABJQJ-LLVKDONJSA-N 0 0 172.231 2.027 10 30 AEEERN C=CCN[C@H](C#N)c1cccc(F)c1 51959889 166190278 /nfs/dbraw/zinc/19/02/78/166190278.db2.gz FZRXLOPURZCQOD-LLVKDONJSA-N 0 0 190.221 2.166 10 30 AEEERN C=CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] 62744676 166190283 /nfs/dbraw/zinc/19/02/83/166190283.db2.gz SPQDBNDWTZGWAL-QMMMGPOBSA-N 0 0 195.237 2.368 10 30 AEEERN C=CCN[C@@]1(C#N)CCC[C@H](C)C1 51959944 166190379 /nfs/dbraw/zinc/19/03/79/166190379.db2.gz HGCBTEZOZUQPOP-QWRGUYRKSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@H](C#N)[C@H](C)CCC 51960343 166190400 /nfs/dbraw/zinc/19/04/00/166190400.db2.gz AYLQDLMVWADSQY-NXEZZACHSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@H](C#N)[C@@H]1CC=CCC1 51960136 166190505 /nfs/dbraw/zinc/19/05/05/166190505.db2.gz QWXINWMOBWTIHK-GHMZBOCLSA-N 0 0 176.263 2.010 10 30 AEEERN C=CCN[C@@H](C#N)C(CC)CC 51959927 166190513 /nfs/dbraw/zinc/19/05/13/166190513.db2.gz GOMNWBQQBXRVTC-JTQLQIEISA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@](C)(C#N)[C@H](C)CC 51959849 166190530 /nfs/dbraw/zinc/19/05/30/166190530.db2.gz MRNBDRPPUYXOMZ-ZJUUUORDSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@]1(C#N)CCCC[C@H]1C 51959918 166190659 /nfs/dbraw/zinc/19/06/59/166190659.db2.gz MLDDHZKIIKBMOU-GHMZBOCLSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@H](C#N)[C@@H](C)CCC 51960345 166190800 /nfs/dbraw/zinc/19/08/00/166190800.db2.gz AYLQDLMVWADSQY-VHSXEESVSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@](C)(C#N)CC(C)C 51960033 166190821 /nfs/dbraw/zinc/19/08/21/166190821.db2.gz JLIYKYCUTMEVMJ-SNVBAGLBSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@H](C#N)[C@@H](C)CCC 51960349 166190825 /nfs/dbraw/zinc/19/08/25/166190825.db2.gz AYLQDLMVWADSQY-UWVGGRQHSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@H](C#N)c1ccsc1 51959895 166190892 /nfs/dbraw/zinc/19/08/92/166190892.db2.gz PCCZLIZKVCKPPP-VIFPVBQESA-N 0 0 178.260 2.088 10 30 AEEERN C=CCN[C@@H](C#N)c1ccc(F)cc1 19988811 166190908 /nfs/dbraw/zinc/19/09/08/166190908.db2.gz JDRGPRIPHGJYAM-NSHDSACASA-N 0 0 190.221 2.166 10 30 AEEERN C=CCN[C@@](C#N)(CC)C(C)C 51959842 166190932 /nfs/dbraw/zinc/19/09/32/166190932.db2.gz PXFUWWIIZXXWPM-SNVBAGLBSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@H](C#N)c1cccc(F)c1 51959888 166190990 /nfs/dbraw/zinc/19/09/90/166190990.db2.gz FZRXLOPURZCQOD-NSHDSACASA-N 0 0 190.221 2.166 10 30 AEEERN C=CCN[C@@]1(C#N)CCc2ccccc21 51960066 166191029 /nfs/dbraw/zinc/19/10/29/166191029.db2.gz PDUUTLFNFBSQMA-CYBMUJFWSA-N 0 0 198.269 2.127 10 30 AEEERN C=CCN[C@@H](C#N)c1ccccc1 19986708 166191083 /nfs/dbraw/zinc/19/10/83/166191083.db2.gz USGUGFSZFABJQJ-NSHDSACASA-N 0 0 172.231 2.027 10 30 AEEERN C=CCN[C@@H](C#N)c1cccc(C)c1 19987586 166191085 /nfs/dbraw/zinc/19/10/85/166191085.db2.gz BDCUBFMSXVQKFS-LBPRGKRZSA-N 0 0 186.258 2.335 10 30 AEEERN C=CCN[C@@H](C#N)[C@H](C)CCC 51960347 166191106 /nfs/dbraw/zinc/19/11/06/166191106.db2.gz AYLQDLMVWADSQY-ZJUUUORDSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@@H](C#N)c1sccc1C 51960048 166191136 /nfs/dbraw/zinc/19/11/36/166191136.db2.gz WZXOZXUCTFALPK-VIFPVBQESA-N 0 0 192.287 2.397 10 30 AEEERN C=CCN[C@@](C)(C#N)CCC(C)C 51960142 166191218 /nfs/dbraw/zinc/19/12/18/166191218.db2.gz ZQZPZWTYTPSZOF-LLVKDONJSA-N 0 0 180.295 2.480 10 30 AEEERN C=CCN[C@H](C#N)C1CCCCC1 51959951 166191223 /nfs/dbraw/zinc/19/12/23/166191223.db2.gz RAQZGDZSMNVNFG-LLVKDONJSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@@H](C#N)C1CCCCC1 51959949 166191272 /nfs/dbraw/zinc/19/12/72/166191272.db2.gz RAQZGDZSMNVNFG-NSHDSACASA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@H](C#N)[C@H]1CC=CCC1 51960133 166191274 /nfs/dbraw/zinc/19/12/74/166191274.db2.gz QWXINWMOBWTIHK-WDEREUQCSA-N 0 0 176.263 2.010 10 30 AEEERN C=CCN[C@@H](C#N)[C@@H]1CC=CCC1 51960134 166191290 /nfs/dbraw/zinc/19/12/90/166191290.db2.gz QWXINWMOBWTIHK-MNOVXSKESA-N 0 0 176.263 2.010 10 30 AEEERN C=CCN[C@H](C#N)c1ccc(C)cc1 19988005 166191299 /nfs/dbraw/zinc/19/12/99/166191299.db2.gz LGSQZMSSQIVQGM-GFCCVEGCSA-N 0 0 186.258 2.335 10 30 AEEERN C=CCN[C@H](C#N)c1cccc(C)c1 19987590 166191315 /nfs/dbraw/zinc/19/13/15/166191315.db2.gz BDCUBFMSXVQKFS-GFCCVEGCSA-N 0 0 186.258 2.335 10 30 AEEERN C=CCN[C@]1(C#N)CCCC[C@@H]1C 51959916 166191553 /nfs/dbraw/zinc/19/15/53/166191553.db2.gz MLDDHZKIIKBMOU-QWRGUYRKSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCNc1ccc(N)cc1F 52923505 166191557 /nfs/dbraw/zinc/19/15/57/166191557.db2.gz ZDGSKQJELILLST-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN C=CCNc1ccc(C#N)cc1 19867768 166191772 /nfs/dbraw/zinc/19/17/72/166191772.db2.gz CEFYXGLOSWZHDA-UHFFFAOYSA-N 0 0 158.204 2.156 10 30 AEEERN C=CCNc1ccc(C#N)cc1C 37732871 166191787 /nfs/dbraw/zinc/19/17/87/166191787.db2.gz ZBNVBKHXGPEYRY-UHFFFAOYSA-N 0 0 172.231 2.465 10 30 AEEERN C=CCN[C@H](C)c1csc(C)n1 36914341 166191842 /nfs/dbraw/zinc/19/18/42/166191842.db2.gz DDZIWXXEESGFDP-SSDOTTSWSA-N 0 0 182.292 2.288 10 30 AEEERN C=CCNc1ccc(N)c2c[nH+]ccc12 52923543 166191982 /nfs/dbraw/zinc/19/19/82/166191982.db2.gz MFNOTWZHIDYXIQ-UHFFFAOYSA-N 0 0 199.257 2.415 10 30 AEEERN C=CCNc1ccc(C(C)=O)cc1 41570808 166191997 /nfs/dbraw/zinc/19/19/97/166191997.db2.gz DBLMZKNTKVVJMJ-UHFFFAOYSA-N 0 0 175.231 2.487 10 30 AEEERN C=CCNc1ccc(NC(C)=O)cc1 39125954 166192013 /nfs/dbraw/zinc/19/20/13/166192013.db2.gz YCTMEFORNWNYMW-UHFFFAOYSA-N 0 0 190.246 2.243 10 30 AEEERN C=CCN[C@]1(C#N)CCC[C@H](C)C1 51959941 166192017 /nfs/dbraw/zinc/19/20/17/166192017.db2.gz HGCBTEZOZUQPOP-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCN[C@](C)(C#N)C1CCCC1 54081947 166192104 /nfs/dbraw/zinc/19/21/04/166192104.db2.gz DTZGHQWQVPLDJH-LLVKDONJSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCNc1cc(N)ccc1C 53735640 166192129 /nfs/dbraw/zinc/19/21/29/166192129.db2.gz MUBFNZYGAKWXLE-UHFFFAOYSA-N 0 0 162.236 2.175 10 30 AEEERN C=CCNc1ccc(C#N)cc1F 36886620 166192164 /nfs/dbraw/zinc/19/21/64/166192164.db2.gz OUKZLLSCIIHQDX-UHFFFAOYSA-N 0 0 176.194 2.295 10 30 AEEERN C=CCN[C@H](C#N)c1ccsc1 51959896 166192214 /nfs/dbraw/zinc/19/22/14/166192214.db2.gz PCCZLIZKVCKPPP-SECBINFHSA-N 0 0 178.260 2.088 10 30 AEEERN C=CCN[C@](C)(C#N)[C@H](C)CC 51959845 166192231 /nfs/dbraw/zinc/19/22/31/166192231.db2.gz MRNBDRPPUYXOMZ-NXEZZACHSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCNc1ccc(CC#N)cc1 51601240 166192306 /nfs/dbraw/zinc/19/23/06/166192306.db2.gz ORYXQXOSYWAQFK-UHFFFAOYSA-N 0 0 172.231 2.351 10 30 AEEERN C=CCNc1cc(C)ccc1C#N 51580540 166192360 /nfs/dbraw/zinc/19/23/60/166192360.db2.gz HKVJMEYFIJRBIN-UHFFFAOYSA-N 0 0 172.231 2.465 10 30 AEEERN C=CCNc1ccc(OC)c(OC)c1 41578998 166192372 /nfs/dbraw/zinc/19/23/72/166192372.db2.gz BSJLPXTVKRNPQK-UHFFFAOYSA-N 0 0 193.246 2.302 10 30 AEEERN C=CCNc1ccc(F)cc1N 52923495 166192381 /nfs/dbraw/zinc/19/23/81/166192381.db2.gz SZSIOLRVXFJZGG-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN C=CCNc1cc(Cl)nc(CC)n1 82509509 166192395 /nfs/dbraw/zinc/19/23/95/166192395.db2.gz DQPNJMOLWLQTLA-UHFFFAOYSA-N 0 0 197.669 2.290 10 30 AEEERN C=CCNc1ccc(C)c(N)c1 61701999 166192440 /nfs/dbraw/zinc/19/24/40/166192440.db2.gz MZCPFYDLEANUHJ-UHFFFAOYSA-N 0 0 162.236 2.175 10 30 AEEERN C=CCN[C@]1(C#N)CCc2ccccc21 51960065 166192468 /nfs/dbraw/zinc/19/24/68/166192468.db2.gz PDUUTLFNFBSQMA-ZDUSSCGKSA-N 0 0 198.269 2.127 10 30 AEEERN C=CC[NH2+][C@H](CCCCCC)C(=O)[O-] 51960533 166192492 /nfs/dbraw/zinc/19/24/92/166192492.db2.gz GYKFTUPPBUAIHL-SNVBAGLBSA-N 0 0 199.294 2.186 10 30 AEEERN C=CCNc1ccc(C)cc1N 52923510 166192571 /nfs/dbraw/zinc/19/25/71/166192571.db2.gz YSNXKUJXFKVNIN-UHFFFAOYSA-N 0 0 162.236 2.175 10 30 AEEERN C=CCN[C@H](C#N)c1sccc1C 51960046 166192662 /nfs/dbraw/zinc/19/26/62/166192662.db2.gz WZXOZXUCTFALPK-SECBINFHSA-N 0 0 192.287 2.397 10 30 AEEERN C=CC[NH2+][C@H](C)c1ccc(F)cc1[O-] 62744677 166192713 /nfs/dbraw/zinc/19/27/13/166192713.db2.gz SPQDBNDWTZGWAL-MRVPVSSYSA-N 0 0 195.237 2.368 10 30 AEEERN C=CCN[C@]1(C#N)CCCC[C@H]1C 51959915 166192749 /nfs/dbraw/zinc/19/27/49/166192749.db2.gz MLDDHZKIIKBMOU-MNOVXSKESA-N 0 0 178.279 2.234 10 30 AEEERN C=CCNc1cc(OC)ccc1OC 41578742 166192796 /nfs/dbraw/zinc/19/27/96/166192796.db2.gz CBJYYUIYTWRMKD-UHFFFAOYSA-N 0 0 193.246 2.302 10 30 AEEERN C=CCNc1c(N)ccc(F)c1F 53167824 166192809 /nfs/dbraw/zinc/19/28/09/166192809.db2.gz PPQLUIHAZBGIFR-UHFFFAOYSA-N 0 0 184.189 2.145 10 30 AEEERN C=CCNc1ccc(C=O)cc1 39373582 166192818 /nfs/dbraw/zinc/19/28/18/166192818.db2.gz FABJEXDZMQLPNK-UHFFFAOYSA-N 0 0 161.204 2.097 10 30 AEEERN C=CCNc1cc(OC)cc(OC)c1 34562623 166192845 /nfs/dbraw/zinc/19/28/45/166192845.db2.gz ZMLNZALPWDUGGW-UHFFFAOYSA-N 0 0 193.246 2.302 10 30 AEEERN C=CCN[C@](C)(C#N)CC(C)C 51960032 166192858 /nfs/dbraw/zinc/19/28/58/166192858.db2.gz JLIYKYCUTMEVMJ-JTQLQIEISA-N 0 0 166.268 2.090 10 30 AEEERN C=CCNc1ccc(N)c2cccnc12 52923468 166192910 /nfs/dbraw/zinc/19/29/10/166192910.db2.gz PDHHNDWAHSTEHI-UHFFFAOYSA-N 0 0 199.257 2.415 10 30 AEEERN C=CCN[C@](C)(C#N)[C@@H](C)CC 51959847 166192947 /nfs/dbraw/zinc/19/29/47/166192947.db2.gz MRNBDRPPUYXOMZ-VHSXEESVSA-N 0 0 166.268 2.090 10 30 AEEERN C=CCN[C@H](C#N)c1ccccc1F 19988422 166192952 /nfs/dbraw/zinc/19/29/52/166192952.db2.gz ZXZHNXFQXGCCNB-LLVKDONJSA-N 0 0 190.221 2.166 10 30 AEEERN C=CCNc1cc(N)cc(F)c1 52923586 166193003 /nfs/dbraw/zinc/19/30/03/166193003.db2.gz LXMWOEABMVQGMM-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN C=CCNc1cc(F)ccc1[N+](=O)[O-] 52120843 166193041 /nfs/dbraw/zinc/19/30/41/166193041.db2.gz TUCTVRQTGSEEHA-UHFFFAOYSA-N 0 0 196.181 2.332 10 30 AEEERN C=CCNc1cc(F)ccc1N 52923594 166193087 /nfs/dbraw/zinc/19/30/87/166193087.db2.gz WOSDLXPMCBPBJN-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN C=CCN[C@](C)(C#N)CCC(C)C 51960140 166193108 /nfs/dbraw/zinc/19/31/08/166193108.db2.gz ZQZPZWTYTPSZOF-NSHDSACASA-N 0 0 180.295 2.480 10 30 AEEERN C=CCN[C@H](C#N)c1cccs1 19984945 166193122 /nfs/dbraw/zinc/19/31/22/166193122.db2.gz LHGWDRLSOXPOFI-MRVPVSSYSA-N 0 0 178.260 2.088 10 30 AEEERN C=CCNc1cc(F)cc([N+](=O)[O-])c1 50522488 166193131 /nfs/dbraw/zinc/19/31/31/166193131.db2.gz MNLMJAFDEHNNCS-UHFFFAOYSA-N 0 0 196.181 2.332 10 30 AEEERN C=CCNc1ccc(N)c2ncccc12 52923557 166193169 /nfs/dbraw/zinc/19/31/69/166193169.db2.gz BZFYLQVKIYXMJO-UHFFFAOYSA-N 0 0 199.257 2.415 10 30 AEEERN C=CCNc1c(F)cc(N)cc1F 52923602 166193237 /nfs/dbraw/zinc/19/32/37/166193237.db2.gz MHYDGUROYQNILO-UHFFFAOYSA-N 0 0 184.189 2.145 10 30 AEEERN C=CCN[C@H](C#N)c1ccccc1C 19987161 166193486 /nfs/dbraw/zinc/19/34/86/166193486.db2.gz ZLMFXRAVCKQQPH-GFCCVEGCSA-N 0 0 186.258 2.335 10 30 AEEERN C=CCN[C@]1(C#N)CCC[C@@H](C)C1 51959939 166193512 /nfs/dbraw/zinc/19/35/12/166193512.db2.gz HGCBTEZOZUQPOP-GHMZBOCLSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCNc1cccc(C#N)c1 34762664 166194303 /nfs/dbraw/zinc/19/43/03/166194303.db2.gz DWSWVBOTFFPNAC-UHFFFAOYSA-N 0 0 158.204 2.156 10 30 AEEERN C=CCNc1nc2ccccc2[nH]1 38324957 166194392 /nfs/dbraw/zinc/19/43/92/166194392.db2.gz RZBMLTMSOBRUBM-UHFFFAOYSA-N 0 0 173.219 2.161 10 30 AEEERN C=CCNc1cccc(N)c1C 62725451 166194443 /nfs/dbraw/zinc/19/44/43/166194443.db2.gz AQQOJSVYRXVVLJ-UHFFFAOYSA-N 0 0 162.236 2.175 10 30 AEEERN C=CCNc1nc2ncccc2s1 40163714 166194714 /nfs/dbraw/zinc/19/47/14/166194714.db2.gz HGTKNXLRKWGELZ-UHFFFAOYSA-N 0 0 191.259 2.289 10 30 AEEERN C=CCNc1nnc(C(C)C)s1 75825195 166194775 /nfs/dbraw/zinc/19/47/75/166194775.db2.gz DMPGKOHEJKDKFC-UHFFFAOYSA-N 0 0 183.280 2.259 10 30 AEEERN C=CCNc1cccc(OC)c1 41571398 166194791 /nfs/dbraw/zinc/19/47/91/166194791.db2.gz KYNZLGAETTZNEZ-UHFFFAOYSA-N 0 0 163.220 2.293 10 30 AEEERN C=CCNc1nc(C)cc(C)c1C#N 40418558 166194845 /nfs/dbraw/zinc/19/48/45/166194845.db2.gz JBTLALMRUXKBKB-UHFFFAOYSA-N 0 0 187.246 2.168 10 30 AEEERN C=CCNc1ccc2c(c1)OCO2 41571303 166194864 /nfs/dbraw/zinc/19/48/64/166194864.db2.gz PQEWTNWBIXQEPN-UHFFFAOYSA-N 0 0 177.203 2.013 10 30 AEEERN C=CCNc1nc(Cl)ncc1C 82501464 166194913 /nfs/dbraw/zinc/19/49/13/166194913.db2.gz MRGOHVILLUAODE-UHFFFAOYSA-N 0 0 183.642 2.036 10 30 AEEERN C=CCNc1ccc2ncccc2c1N 52923585 166194932 /nfs/dbraw/zinc/19/49/32/166194932.db2.gz WPGQNWASIPVXSB-UHFFFAOYSA-N 0 0 199.257 2.415 10 30 AEEERN C=CCNc1ccc2cc(N)ccc2n1 52923548 166195012 /nfs/dbraw/zinc/19/50/12/166195012.db2.gz OHZSQOJJEVWSHW-UHFFFAOYSA-N 0 0 199.257 2.415 10 30 AEEERN C=CCNc1ccccc1C#N 20077318 166195031 /nfs/dbraw/zinc/19/50/31/166195031.db2.gz KMZNUYXLECWDQH-UHFFFAOYSA-N 0 0 158.204 2.156 10 30 AEEERN C=CCNc1ccc2cc[nH]c2n1 79032500 166195085 /nfs/dbraw/zinc/19/50/85/166195085.db2.gz PQHQAROQGDERPI-UHFFFAOYSA-N 0 0 173.219 2.161 10 30 AEEERN C=CCNc1cccc(F)c1N 52923582 166195101 /nfs/dbraw/zinc/19/51/01/166195101.db2.gz DIGINIKHLMMNKS-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN C=CCOC(=O)c1cccc(NC)c1 39083691 166195435 /nfs/dbraw/zinc/19/54/35/166195435.db2.gz PVPWUFYWTSWYHO-UHFFFAOYSA-N 0 0 191.230 2.071 10 30 AEEERN C=CCOCC(=O)c1ccc(C)s1 50160156 166195549 /nfs/dbraw/zinc/19/55/49/166195549.db2.gz QFBQDBGMRUQVOU-UHFFFAOYSA-N 0 0 196.271 2.442 10 30 AEEERN C=CCOCC(=O)c1ccc(C)cc1 50160125 166195697 /nfs/dbraw/zinc/19/56/97/166195697.db2.gz DFKVUSOJYWSFEV-UHFFFAOYSA-N 0 0 190.242 2.380 10 30 AEEERN C=CCOCC(=O)c1cccc(C)c1 50160146 166195745 /nfs/dbraw/zinc/19/57/45/166195745.db2.gz FCEDBUFOFXLHPO-UHFFFAOYSA-N 0 0 190.242 2.380 10 30 AEEERN C=CCOCc1cc(C#N)ccc1F 34958451 166195772 /nfs/dbraw/zinc/19/57/72/166195772.db2.gz IOEDZDXABXVEHG-UHFFFAOYSA-N 0 0 191.205 2.400 10 30 AEEERN C=CCOCc1ccccc1C#N 34958453 166195850 /nfs/dbraw/zinc/19/58/50/166195850.db2.gz UYOUQNDGMIEULD-UHFFFAOYSA-N 0 0 173.215 2.261 10 30 AEEERN C=CCOCC(=O)c1ccccc1C 50160143 166195909 /nfs/dbraw/zinc/19/59/09/166195909.db2.gz OQPFLWCPYRZCTJ-UHFFFAOYSA-N 0 0 190.242 2.380 10 30 AEEERN C=CCOCc1ccc(Cl)nc1 26516139 166195936 /nfs/dbraw/zinc/19/59/36/166195936.db2.gz VBBDHQCYIFQREP-UHFFFAOYSA-N 0 0 183.638 2.438 10 30 AEEERN C=CCOCC(=O)c1ccccc1F 50160168 166195967 /nfs/dbraw/zinc/19/59/67/166195967.db2.gz ONWSNPMIGLVBOJ-UHFFFAOYSA-N 0 0 194.205 2.211 10 30 AEEERN C=CCOCC(=O)c1cccc(F)c1 50160159 166196021 /nfs/dbraw/zinc/19/60/21/166196021.db2.gz KYPZHEASDRZDFB-UHFFFAOYSA-N 0 0 194.205 2.211 10 30 AEEERN C=CCOCc1ccc(C#N)cc1 26515866 166196036 /nfs/dbraw/zinc/19/60/36/166196036.db2.gz JGNSWAHBGUHPPR-UHFFFAOYSA-N 0 0 173.215 2.261 10 30 AEEERN C=CCOC(C)(C)OCC=C 2515948 166196039 /nfs/dbraw/zinc/19/60/39/166196039.db2.gz FMEUTDDJZQKSOU-UHFFFAOYSA-N 0 0 156.225 2.128 10 30 AEEERN C=CCOCC(=O)c1cccs1 50160149 166196076 /nfs/dbraw/zinc/19/60/76/166196076.db2.gz GJOBOEQHBPGHFZ-UHFFFAOYSA-N 0 0 182.244 2.133 10 30 AEEERN C=CCOCC(=O)c1ccc(F)cc1 50160094 166196077 /nfs/dbraw/zinc/19/60/77/166196077.db2.gz YBXWRUCZVHMHCK-UHFFFAOYSA-N 0 0 194.205 2.211 10 30 AEEERN C=CCOCc1ccc(C#N)cc1F 34958452 166196204 /nfs/dbraw/zinc/19/62/04/166196204.db2.gz FZXAPOWQTDVIJF-UHFFFAOYSA-N 0 0 191.205 2.400 10 30 AEEERN C=CCOCC(=O)Cc1ccccc1 50160140 166196246 /nfs/dbraw/zinc/19/62/46/166196246.db2.gz RKOLFAVRGKJOQC-UHFFFAOYSA-N 0 0 190.242 2.001 10 30 AEEERN C=CCO[C@@H](C)C(=O)c1ccccc1 34077328 166196274 /nfs/dbraw/zinc/19/62/74/166196274.db2.gz WOQBMNQPGNAQDA-JTQLQIEISA-N 0 0 190.242 2.460 10 30 AEEERN C=CCOCC(=O)c1ccccc1 34077330 166196280 /nfs/dbraw/zinc/19/62/80/166196280.db2.gz ATVUNSQDYMXNBZ-UHFFFAOYSA-N 0 0 176.215 2.072 10 30 AEEERN C=CCOc1ccc(NC)cc1 38056636 166196504 /nfs/dbraw/zinc/19/65/04/166196504.db2.gz UXZYWLAMGXEWGM-UHFFFAOYSA-N 0 0 163.220 2.293 10 30 AEEERN C=CCOc1ccc(C)cc1C#N 36195939 166196523 /nfs/dbraw/zinc/19/65/23/166196523.db2.gz AIEFRARVJYTABG-UHFFFAOYSA-N 0 0 173.215 2.432 10 30 AEEERN C=CCOc1cccc(F)c1[N+](=O)[O-] 38416610 166196560 /nfs/dbraw/zinc/19/65/60/166196560.db2.gz VUOBRWVVEYLCNZ-UHFFFAOYSA-N 0 0 197.165 2.299 10 30 AEEERN C=CCOc1ccc2cccnc2n1 75251890 166196666 /nfs/dbraw/zinc/19/66/66/166196666.db2.gz AAVZXVHDSAIOGS-UHFFFAOYSA-N 0 0 186.214 2.195 10 30 AEEERN C=CCOc1cccc([C@H](C)O)c1 35627536 166196670 /nfs/dbraw/zinc/19/66/70/166196670.db2.gz FBGMEEYLBHDABD-VIFPVBQESA-N 0 0 178.231 2.305 10 30 AEEERN C=CCOc1ccc(N)cc1Cl 32007735 166196696 /nfs/dbraw/zinc/19/66/96/166196696.db2.gz BAQNGWWULOEIOE-UHFFFAOYSA-N 0 0 183.638 2.487 10 30 AEEERN C=CCOc1ccc2c[nH]nc2c1 89197305 166196701 /nfs/dbraw/zinc/19/67/01/166196701.db2.gz KVXZTDHNYKNGHS-UHFFFAOYSA-N 0 0 174.203 2.128 10 30 AEEERN C=CCOc1ccc(F)c(F)c1C=O 96032699 166196733 /nfs/dbraw/zinc/19/67/33/166196733.db2.gz LBUHTLIZLGLVNL-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN C=CCOc1ccc(C)c(N)c1 32006211 166196779 /nfs/dbraw/zinc/19/67/79/166196779.db2.gz DCBBETYBQQEOKY-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C=CCOc1ccc(C=O)c(F)c1 164671246 166196918 /nfs/dbraw/zinc/19/69/18/166196918.db2.gz OHOOUKJKTSTUIE-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C=CCOc1cccc([C@@H](C)O)c1 35627537 166197032 /nfs/dbraw/zinc/19/70/32/166197032.db2.gz FBGMEEYLBHDABD-SECBINFHSA-N 0 0 178.231 2.305 10 30 AEEERN C=CCOc1ccc(C)cc1N 32006204 166197056 /nfs/dbraw/zinc/19/70/56/166197056.db2.gz PZRGEJSFHZQOBD-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C=CCOc1cccc2c1C(=O)CC2 196524469 166197057 /nfs/dbraw/zinc/19/70/57/166197057.db2.gz AWZDOEDYESAZQX-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=CCOc1ccc(CC#N)cc1 19433622 166197058 /nfs/dbraw/zinc/19/70/58/166197058.db2.gz OBSXHICWSMSOSR-UHFFFAOYSA-N 0 0 173.215 2.317 10 30 AEEERN C=CCOc1cc(C)ccc1C=O 20272574 166197091 /nfs/dbraw/zinc/19/70/91/166197091.db2.gz DIAQNEONMQSYME-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C=CCOc1cc(N)ccc1C 32006208 166197112 /nfs/dbraw/zinc/19/71/12/166197112.db2.gz DKICWLWPULOHHL-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C=CCOc1c(C)ccc(N)c1C 52856051 166197118 /nfs/dbraw/zinc/19/71/18/166197118.db2.gz NTOSRNGJZGDREI-UHFFFAOYSA-N 0 0 177.247 2.450 10 30 AEEERN C=CCOc1cccc(N)c1C 52856019 166197127 /nfs/dbraw/zinc/19/71/27/166197127.db2.gz PRNFVBAVGMGFDD-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C=CCOc1ccc(N)c(Cl)c1 52856060 166197165 /nfs/dbraw/zinc/19/71/65/166197165.db2.gz FZJQBDFQOHOBCK-UHFFFAOYSA-N 0 0 183.638 2.487 10 30 AEEERN C=CCOc1cc(C)c(C)cc1N 41199868 166197197 /nfs/dbraw/zinc/19/71/97/166197197.db2.gz HRAYJTHOONERPO-UHFFFAOYSA-N 0 0 177.247 2.450 10 30 AEEERN C=CCO[C@H](C)C(=O)c1ccccc1 34077329 166197219 /nfs/dbraw/zinc/19/72/19/166197219.db2.gz WOQBMNQPGNAQDA-SNVBAGLBSA-N 0 0 190.242 2.460 10 30 AEEERN C=CCOc1cc(Cl)ccc1N 52856068 166197235 /nfs/dbraw/zinc/19/72/35/166197235.db2.gz VDGVJVPCBBAHSG-UHFFFAOYSA-N 0 0 183.638 2.487 10 30 AEEERN C=CCOc1c(C)cc(O)c(C)c1O 6069765 166197240 /nfs/dbraw/zinc/19/72/40/166197240.db2.gz PBVPXGDABWOZGU-UHFFFAOYSA-N 0 0 194.230 2.279 10 30 AEEERN C=CCOc1cccc(C)c1N 52856023 166197248 /nfs/dbraw/zinc/19/72/48/166197248.db2.gz DMQHINANNOLAAP-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C=CCOc1ccc(N)c(C)c1 32006214 166197268 /nfs/dbraw/zinc/19/72/68/166197268.db2.gz MTYBMWCCUZRYJR-UHFFFAOYSA-N 0 0 163.220 2.142 10 30 AEEERN C=CCOc1cc(F)cc(C#N)c1 227634691 166197281 /nfs/dbraw/zinc/19/72/81/166197281.db2.gz CYGIBBJZYHCFIO-UHFFFAOYSA-N 0 0 177.178 2.262 10 30 AEEERN C=CCOc1ccc2ncsc2n1 89229873 166197296 /nfs/dbraw/zinc/19/72/96/166197296.db2.gz SCMQNQGUNOPEBT-UHFFFAOYSA-N 0 0 192.243 2.256 10 30 AEEERN C=CCOc1ccc(C(C)=O)c(O)c1 28384817 166197324 /nfs/dbraw/zinc/19/73/24/166197324.db2.gz LLFRCBNWOKTEOZ-UHFFFAOYSA-N 0 0 192.214 2.160 10 30 AEEERN C=CCOc1ccc2c(c1)OCCO2 334175983 166197369 /nfs/dbraw/zinc/19/73/69/166197369.db2.gz CJJZWVCIBZMKFN-UHFFFAOYSA-N 0 0 192.214 2.023 10 30 AEEERN C=CCOc1cc(C)ccc1C#N 51598434 166197421 /nfs/dbraw/zinc/19/74/21/166197421.db2.gz AOEMOLRVSOJNMS-UHFFFAOYSA-N 0 0 173.215 2.432 10 30 AEEERN C=CCOc1cc(Cl)nc(C)n1 52834966 166197440 /nfs/dbraw/zinc/19/74/40/166197440.db2.gz HZILFHCHBNZFIN-UHFFFAOYSA-N 0 0 184.626 2.003 10 30 AEEERN C=CCOc1cccc(O)c1C 36896622 166197451 /nfs/dbraw/zinc/19/74/51/166197451.db2.gz BLUBHXSZLAZLRC-UHFFFAOYSA-N 0 0 164.204 2.265 10 30 AEEERN C=CCOc1c(C)cc(C)cc1N 41199865 166197453 /nfs/dbraw/zinc/19/74/53/166197453.db2.gz AXDNNYJXAHGJSJ-UHFFFAOYSA-N 0 0 177.247 2.450 10 30 AEEERN C=CC[C@@H](C)CC(C)=O 38809849 166198289 /nfs/dbraw/zinc/19/82/89/166198289.db2.gz GLVMKHSOGXAZCS-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCSCC(OCC)OCC 15042803 166198304 /nfs/dbraw/zinc/19/83/04/166198304.db2.gz GUPNPBPAAVCQLZ-UHFFFAOYSA-N 0 0 190.308 2.305 10 30 AEEERN C=CC[C@@H](CC)C(C)=O 38004153 166198319 /nfs/dbraw/zinc/19/83/19/166198319.db2.gz GPIYAZNJLJENAN-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=CCOc1nc(Cl)ncc1C 34568031 166198356 /nfs/dbraw/zinc/19/83/56/166198356.db2.gz LLVOVIZYFBELJX-UHFFFAOYSA-N 0 0 184.626 2.003 10 30 AEEERN C=CC[C@@H](C=O)CCC 33606468 166198388 /nfs/dbraw/zinc/19/83/88/166198388.db2.gz KCZBNTGSHQURPY-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC[C@@H](C)Nc1ccccn1 5370781 166198420 /nfs/dbraw/zinc/19/84/20/166198420.db2.gz VMGRNLWIKFTKHI-SECBINFHSA-N 0 0 162.236 2.458 10 30 AEEERN C=CC[C@@H](/C=C/C)CC=O 2529796 166198451 /nfs/dbraw/zinc/19/84/51/166198451.db2.gz AXXDUGIQNVFOLM-DNQSNQRASA-N 0 0 138.210 2.344 10 30 AEEERN C=CCOc1nc(C)cc(C)c1C#N 40509173 166198505 /nfs/dbraw/zinc/19/85/05/166198505.db2.gz CIXNDZUVDFDJSN-UHFFFAOYSA-N 0 0 188.230 2.135 10 30 AEEERN C=CC[C@@H](CCCC)ONC(C)=O 39125994 166198508 /nfs/dbraw/zinc/19/85/08/166198508.db2.gz HCLUFKKIPBLWPW-JTQLQIEISA-N 0 0 185.267 2.189 10 30 AEEERN C=CCSc1cc(C)on1 45814018 166198645 /nfs/dbraw/zinc/19/86/45/166198645.db2.gz UEFIUWLBLUCQIV-UHFFFAOYSA-N 0 0 155.222 2.261 10 30 AEEERN C=CCSc1ccccn1 13284240 166198851 /nfs/dbraw/zinc/19/88/51/166198851.db2.gz GQJRMAHIZBHNJX-UHFFFAOYSA-N 0 0 151.234 2.360 10 30 AEEERN C=CCSc1sc(N)nc1C 19442438 166199098 /nfs/dbraw/zinc/19/90/98/166199098.db2.gz RUYBWRRMFWONTJ-UHFFFAOYSA-N 0 0 186.305 2.312 10 30 AEEERN C=CCS(=O)(=O)CCCCCC 15015271 166199100 /nfs/dbraw/zinc/19/91/00/166199100.db2.gz AVAKAMLGSXJLGD-UHFFFAOYSA-N 0 0 190.308 2.168 10 30 AEEERN C=CCOc1nc2ccccc2[nH]1 95923356 166199109 /nfs/dbraw/zinc/19/91/09/166199109.db2.gz NSOZWAKNAMSHBM-UHFFFAOYSA-N 0 0 174.203 2.128 10 30 AEEERN C=CC[C@@H](CCC)C(=O)OC 28455217 166199116 /nfs/dbraw/zinc/19/91/16/166199116.db2.gz FDPCGENVCAREOA-QMMMGPOBSA-N 0 0 156.225 2.152 10 30 AEEERN C=CC[C@@H](C#N)c1ccccn1 75543806 166199143 /nfs/dbraw/zinc/19/91/43/166199143.db2.gz NTPZQBXSSLYPDH-VIFPVBQESA-N 0 0 158.204 2.265 10 30 AEEERN C=CC[C@@H]1C=CN(C)C(=S)C1 39124646 166199253 /nfs/dbraw/zinc/19/92/53/166199253.db2.gz ZHSUNEPNNZFPNB-MRVPVSSYSA-N 0 0 167.277 2.355 10 30 AEEERN C=CC[C@@H]1C=CCC(=S)N1C 34408196 166199267 /nfs/dbraw/zinc/19/92/67/166199267.db2.gz YKECCUQUZJMCKQ-MRVPVSSYSA-N 0 0 167.277 2.150 10 30 AEEERN C=CC[C@@H]1CCC=CCCC(=O)N1 255980613 166199325 /nfs/dbraw/zinc/19/93/25/166199325.db2.gz JETZQAGKMLXYJK-SNVBAGLBSA-N 0 0 179.263 2.178 10 30 AEEERN C=CC[C@@H](O)[C@H](C)CCC 39239306 166199369 /nfs/dbraw/zinc/19/93/69/166199369.db2.gz OWDNANIVJDTFPY-RKDXNWHRSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@H](O)Cc1cccc(OC)c1 42394791 166199476 /nfs/dbraw/zinc/19/94/76/166199476.db2.gz VYLPXHJACBYPMY-LLVKDONJSA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@@H](O)c1ccc(O)cc1 28342873 166199486 /nfs/dbraw/zinc/19/94/86/166199486.db2.gz GQVQLHSYKYXPNM-SNVBAGLBSA-N 0 0 164.204 2.002 10 30 AEEERN C=CC[C@@H](O)Cc1ccccc1C 43560310 166199593 /nfs/dbraw/zinc/19/95/93/166199593.db2.gz NFLSHBUWCFHFOW-GFCCVEGCSA-N 0 0 176.259 2.475 10 30 AEEERN C=CC[C@@H](O)c1ccc(C#N)cc1 75563504 166199663 /nfs/dbraw/zinc/19/96/63/166199663.db2.gz SJNFMGBQEOYAFH-LLVKDONJSA-N 0 0 173.215 2.168 10 30 AEEERN C=CC[C@@H](O)c1cccc(O)c1 38973146 166199823 /nfs/dbraw/zinc/19/98/23/166199823.db2.gz UJRADAMUOXMGSG-SNVBAGLBSA-N 0 0 164.204 2.002 10 30 AEEERN C=CC[C@@H](O)[C@@H](C)CCC 39239307 166199892 /nfs/dbraw/zinc/19/98/92/166199892.db2.gz OWDNANIVJDTFPY-DTWKUNHWSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@H](O)c1ccccc1O 38760079 166199911 /nfs/dbraw/zinc/19/99/11/166199911.db2.gz YHAQIVRSLVEKHY-SECBINFHSA-N 0 0 164.204 2.002 10 30 AEEERN C=CC[C@@H](O)Cc1ccccc1F 49671345 166200012 /nfs/dbraw/zinc/20/00/12/166200012.db2.gz AUDBFBKPIRFGTJ-SNVBAGLBSA-N 0 0 180.222 2.305 10 30 AEEERN C=CC[C@@H](O)C(C)(C)CC 39239326 166200114 /nfs/dbraw/zinc/20/01/14/166200114.db2.gz XPGXZULLVHZCNH-MRVPVSSYSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@H](O)Cc1cccc(F)c1 42394788 166200125 /nfs/dbraw/zinc/20/01/25/166200125.db2.gz VDANNXJZJDWUBH-LLVKDONJSA-N 0 0 180.222 2.305 10 30 AEEERN C=CC[C@@H](O)[C@H]1CC=CCC1 34355031 166200148 /nfs/dbraw/zinc/20/01/48/166200148.db2.gz JFZODRVNIRJQPT-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@@H](O)CCC(C)C 39239304 166200195 /nfs/dbraw/zinc/20/01/95/166200195.db2.gz AVZWZKFORQRRGD-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@H]1CC(C)=C(C)C1=O 39059199 166200198 /nfs/dbraw/zinc/20/01/98/166200198.db2.gz KNTHKQAZUNQIIS-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@@H]1CCCC(=O)C1 34454807 166200227 /nfs/dbraw/zinc/20/02/27/166200227.db2.gz AQDZXPLGDCMLEH-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC[C@@H](O)Cc1cc(F)cc(F)c1 49348448 166200276 /nfs/dbraw/zinc/20/02/76/166200276.db2.gz MPUZPEYIFANJEF-LLVKDONJSA-N 0 0 198.212 2.444 10 30 AEEERN C=CC[C@@H](O)c1ccc(C)o1 34621706 166200280 /nfs/dbraw/zinc/20/02/80/166200280.db2.gz WYWAZUBJTKJQMD-MRVPVSSYSA-N 0 0 152.193 2.198 10 30 AEEERN C=CC[C@@H](O)[C@@H]1CC=CCC1 34355034 166200304 /nfs/dbraw/zinc/20/03/04/166200304.db2.gz JFZODRVNIRJQPT-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@@H](O)COc1ccccc1 34616876 166200324 /nfs/dbraw/zinc/20/03/24/166200324.db2.gz UILAKVDTQNNOKT-SNVBAGLBSA-N 0 0 178.231 2.002 10 30 AEEERN C=CC[C@@H](O)[C@@H](C)C(C)C 39239311 166200332 /nfs/dbraw/zinc/20/03/32/166200332.db2.gz MUJONTFSKQDQEX-DTWKUNHWSA-N 0 0 142.242 2.216 10 30 AEEERN C=CC[C@@H](O)C(CC)CC 39239318 166200391 /nfs/dbraw/zinc/20/03/91/166200391.db2.gz FNFDFWZZICGIHQ-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@H]1C=C[C@@H](O)C[C@@H]1C 39059366 166200438 /nfs/dbraw/zinc/20/04/38/166200438.db2.gz RCXSGNCNXYLZRB-IVZWLZJFSA-N 0 0 152.237 2.136 10 30 AEEERN C=CC[C@@H](O)Cc1ccccc1OC 39148375 166200506 /nfs/dbraw/zinc/20/05/06/166200506.db2.gz WXUOFPZPTBMKMO-LLVKDONJSA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@@H](O)[C@H](C)C(C)C 39239310 166200570 /nfs/dbraw/zinc/20/05/70/166200570.db2.gz MUJONTFSKQDQEX-RKDXNWHRSA-N 0 0 142.242 2.216 10 30 AEEERN C=CC[C@@H](O)Cc1ccc(C)cc1 51752789 166200595 /nfs/dbraw/zinc/20/05/95/166200595.db2.gz JRRPHHUBUVADDW-GFCCVEGCSA-N 0 0 176.259 2.475 10 30 AEEERN C=CC[C@@H](NC(C)=O)c1ccccc1 5283530 166200617 /nfs/dbraw/zinc/20/06/17/166200617.db2.gz GLSHZYVOBOISIX-GFCCVEGCSA-N 0 0 189.258 2.440 10 30 AEEERN C=CC[C@@H](O)Cc1ccc(OC)cc1 42394799 166200631 /nfs/dbraw/zinc/20/06/31/166200631.db2.gz WXCZTJDOZIBJSH-LLVKDONJSA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@@H](O)C1CCCC1 39079736 166200638 /nfs/dbraw/zinc/20/06/38/166200638.db2.gz QYEGOFHGGHSEGJ-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@@H]1CC(C)=C/C1=N/O 39111491 166200639 /nfs/dbraw/zinc/20/06/39/166200639.db2.gz NLRPUWQCZNTBAA-SREPSJJZSA-N 0 0 151.209 2.359 10 30 AEEERN C=CC[C@@H]1CCCCN1C(=O)OC 39125843 166200651 /nfs/dbraw/zinc/20/06/51/166200651.db2.gz BKHWDILEXILGEE-SECBINFHSA-N 0 0 183.251 2.183 10 30 AEEERN C=CC[C@@H](O)Cc1cccc(C)c1 43561116 166200658 /nfs/dbraw/zinc/20/06/58/166200658.db2.gz OUAUXUVPJXWWCA-GFCCVEGCSA-N 0 0 176.259 2.475 10 30 AEEERN C=CC[C@@H]1C=CC=CN1C(=O)OC 39139322 166200694 /nfs/dbraw/zinc/20/06/94/166200694.db2.gz UFPQEWUUMOWQNP-SECBINFHSA-N 0 0 179.219 2.083 10 30 AEEERN C=CC[C@@H]1CCC[C@H](F)C1=O 39125418 166201411 /nfs/dbraw/zinc/20/14/11/166201411.db2.gz RIDRSQFKFUVHEL-SFYZADRCSA-N 0 0 156.200 2.270 10 30 AEEERN C=CC[C@@H]1Cc2ccccc2[C@H]1O 44469905 166201429 /nfs/dbraw/zinc/20/14/29/166201429.db2.gz NJTCIXVVAVYEQB-PWSUYJOCSA-N 0 0 174.243 2.468 10 30 AEEERN C=CC[C@@](C)(CC)NC(=O)OC 201699041 166201654 /nfs/dbraw/zinc/20/16/54/166201654.db2.gz AJWCRTLZAYLVOG-SECBINFHSA-N 0 0 171.240 2.087 10 30 AEEERN C=CC[C@H](/C=C/C)CC=O 75526235 166201870 /nfs/dbraw/zinc/20/18/70/166201870.db2.gz AXXDUGIQNVFOLM-OTQAPUNGSA-N 0 0 138.210 2.344 10 30 AEEERN C=CC[C@@](Br)(C=O)CC 75580008 166201916 /nfs/dbraw/zinc/20/19/16/166201916.db2.gz PUKZNBXCVBLXNF-SSDOTTSWSA-N 0 0 191.068 2.305 10 30 AEEERN C=CC[C@@H]1Cc2ccccc2[C@@H]1O 44469900 166201953 /nfs/dbraw/zinc/20/19/53/166201953.db2.gz NJTCIXVVAVYEQB-ZYHUDNBSSA-N 0 0 174.243 2.468 10 30 AEEERN C=CC[C@@]1(C)C[C@@H](C)N(C(C)=O)C1 39126350 166201974 /nfs/dbraw/zinc/20/19/74/166201974.db2.gz FSLIQPQXKXCWES-KOLCDFICSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@@](C)(O)c1cccc(N)c1 8701528 166201993 /nfs/dbraw/zinc/20/19/93/166201993.db2.gz ZWCMLAMPKZGRII-LLVKDONJSA-N 0 0 177.247 2.052 10 30 AEEERN C=CC[C@@](C)(O)C(C)(C)C 39189125 166202011 /nfs/dbraw/zinc/20/20/11/166202011.db2.gz NKCXAYBGSFSPDJ-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@]1(C)CCC(=O)C1 34115187 166202048 /nfs/dbraw/zinc/20/20/48/166202048.db2.gz DBBBXDIKKDMCBZ-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C=CC[C@@]1(C=O)CCCC1=C 45793490 166202067 /nfs/dbraw/zinc/20/20/67/166202067.db2.gz VWFBNCLJAWOGEI-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@@H]1[C@@H](O)CCC[C@H]1C 34454876 166202087 /nfs/dbraw/zinc/20/20/87/166202087.db2.gz MXNNWRDKFQPYSS-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC[C@@H]1OC(=O)c2ccccc21 36419988 166202128 /nfs/dbraw/zinc/20/21/28/166202128.db2.gz PJOHJJXEKVGSSP-JTQLQIEISA-N 0 0 174.199 2.474 10 30 AEEERN C=CC[C@@H]1CCC[C@H](C#N)C1=O 104836971 166202151 /nfs/dbraw/zinc/20/21/51/166202151.db2.gz CTRAZQYLYBQBRI-RKDXNWHRSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@H](C)Nc1ccccn1 5368211 166202156 /nfs/dbraw/zinc/20/21/56/166202156.db2.gz VMGRNLWIKFTKHI-VIFPVBQESA-N 0 0 162.236 2.458 10 30 AEEERN C=CC[C@@H]1CCC[C@H](O)C1 34155571 166202214 /nfs/dbraw/zinc/20/22/14/166202214.db2.gz OPWMLWHXIUSITO-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@@](C)(O)CC(C)C 37625034 166202241 /nfs/dbraw/zinc/20/22/41/166202241.db2.gz YUJFBCFZSKPSCZ-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@@]1(c2ccccc2)CO1 39168203 166202278 /nfs/dbraw/zinc/20/22/78/166202278.db2.gz RHXFBTVZUYESQM-NSHDSACASA-N 0 0 160.216 2.488 10 30 AEEERN C=CC[C@@]1(C=O)C(=O)C=C(C)C1(C)C 75580936 166202280 /nfs/dbraw/zinc/20/22/80/166202280.db2.gz KUYVXSKDINVNMU-GFCCVEGCSA-N 0 0 192.258 2.303 10 30 AEEERN C=CC[C@@H]1CCC[C@@H](F)C1=O 39125420 166202288 /nfs/dbraw/zinc/20/22/88/166202288.db2.gz RIDRSQFKFUVHEL-HTQZYQBOSA-N 0 0 156.200 2.270 10 30 AEEERN C=CC[C@@]1(C)CCCO1 104831302 166202300 /nfs/dbraw/zinc/20/23/00/166202300.db2.gz WRFGMLQFMIKBIB-QMMMGPOBSA-N 0 0 126.199 2.132 10 30 AEEERN C=CC[C@@]1(O)C=CCCC1 135116517 166202304 /nfs/dbraw/zinc/20/23/04/166202304.db2.gz UVKHQVZAPOEZQO-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN C=CC[C@@H]1C[C@@H](C(C)C)N(C)O1 39104360 166202309 /nfs/dbraw/zinc/20/23/09/166202309.db2.gz UKXQPYKKEWOOPP-ZJUUUORDSA-N 0 0 169.268 2.223 10 30 AEEERN C=CC[C@@]1(C)CC/C(=C\N(C)C)C1=O 39112296 166202318 /nfs/dbraw/zinc/20/23/18/166202318.db2.gz MNLGZTDTCNNLBV-VMPCVLLUSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@@]12CCC[C@@]1(OC)OCC2 34455106 166202325 /nfs/dbraw/zinc/20/23/25/166202325.db2.gz DQLFODAKWLFVNG-WDEREUQCSA-N 0 0 182.263 2.496 10 30 AEEERN C=CC[C@@H]1CCC[C@@H](O)C1 34155573 166202347 /nfs/dbraw/zinc/20/23/47/166202347.db2.gz OPWMLWHXIUSITO-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@@]1(C(C)=O)CCCCC1=O 37627154 166202350 /nfs/dbraw/zinc/20/23/50/166202350.db2.gz TUQLVPINSFVPOL-NSHDSACASA-N 0 0 180.247 2.281 10 30 AEEERN C=CC[C@@]1(C)C[C@H](C)N(C(C)=O)C1 39126351 166202354 /nfs/dbraw/zinc/20/23/54/166202354.db2.gz FSLIQPQXKXCWES-ONGXEEELSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@@](C)(O)c1cccc(OC)c1 34061186 166202385 /nfs/dbraw/zinc/20/23/85/166202385.db2.gz KJWXOBGZWVEJSK-GFCCVEGCSA-N 0 0 192.258 2.479 10 30 AEEERN C=CC[C@@]12CCC[C@]1(OC)OCC2 34455107 166202391 /nfs/dbraw/zinc/20/23/91/166202391.db2.gz DQLFODAKWLFVNG-QWRGUYRKSA-N 0 0 182.263 2.496 10 30 AEEERN C=CC[C@@H]1Oc2ccccc2C1=O 38292694 166202398 /nfs/dbraw/zinc/20/23/98/166202398.db2.gz DPFUGCZLCZLPRV-JTQLQIEISA-N 0 0 174.199 2.206 10 30 AEEERN C=CC[C@@H]1CCC[C@@H](C#N)C1=O 104836976 166202421 /nfs/dbraw/zinc/20/24/21/166202421.db2.gz CTRAZQYLYBQBRI-BDAKNGLRSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@@]1(C=O)C(=O)C(C)=CC1(C)C 75580939 166202426 /nfs/dbraw/zinc/20/24/26/166202426.db2.gz QOZKETDKAOHLKQ-GFCCVEGCSA-N 0 0 192.258 2.303 10 30 AEEERN C=CC[C@@H]1C[C@H](C(C)C)N(C)O1 39104361 166202439 /nfs/dbraw/zinc/20/24/39/166202439.db2.gz UKXQPYKKEWOOPP-NXEZZACHSA-N 0 0 169.268 2.223 10 30 AEEERN C=CC[C@H](C#N)c1ccccn1 75543809 166202466 /nfs/dbraw/zinc/20/24/66/166202466.db2.gz NTPZQBXSSLYPDH-SECBINFHSA-N 0 0 158.204 2.265 10 30 AEEERN C=CC[C@H](C)CC(C)=O 38809848 166202477 /nfs/dbraw/zinc/20/24/77/166202477.db2.gz GLVMKHSOGXAZCS-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC[C@@](C)(O)c1ccc(N)cc1 8701526 166202507 /nfs/dbraw/zinc/20/25/07/166202507.db2.gz CYFLFJDSVRSFPN-LLVKDONJSA-N 0 0 177.247 2.052 10 30 AEEERN C=CC[C@@]1(C=O)CC=CCC1 75538818 166202598 /nfs/dbraw/zinc/20/25/98/166202598.db2.gz PGOPDSUQGVMKLE-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@@]1(O)CCc2ccccc21 34753355 166202613 /nfs/dbraw/zinc/20/26/13/166202613.db2.gz XQJUAXWZUOFZNI-GFCCVEGCSA-N 0 0 174.243 2.397 10 30 AEEERN C=CC[C@H](O)c1ccc(C)o1 34621707 166203139 /nfs/dbraw/zinc/20/31/39/166203139.db2.gz WYWAZUBJTKJQMD-QMMMGPOBSA-N 0 0 152.193 2.198 10 30 AEEERN C=CC[C@H](O)[C@H]1CC=CCC1 34355029 166203168 /nfs/dbraw/zinc/20/31/68/166203168.db2.gz JFZODRVNIRJQPT-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@H](O)Cc1ccccc1C 43560311 166203172 /nfs/dbraw/zinc/20/31/72/166203172.db2.gz NFLSHBUWCFHFOW-LBPRGKRZSA-N 0 0 176.259 2.475 10 30 AEEERN C=CC[C@H](O)[C@H](C)CCC 39239308 166203194 /nfs/dbraw/zinc/20/31/94/166203194.db2.gz OWDNANIVJDTFPY-BDAKNGLRSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@H](O)[C@@H](C)C(C)C 39239313 166203208 /nfs/dbraw/zinc/20/32/08/166203208.db2.gz MUJONTFSKQDQEX-IUCAKERBSA-N 0 0 142.242 2.216 10 30 AEEERN C=CC[C@H](O)c1ccc(O)cc1 28342866 166203229 /nfs/dbraw/zinc/20/32/29/166203229.db2.gz GQVQLHSYKYXPNM-JTQLQIEISA-N 0 0 164.204 2.002 10 30 AEEERN C=CC[C@H](C=O)CCC 33606470 166203398 /nfs/dbraw/zinc/20/33/98/166203398.db2.gz KCZBNTGSHQURPY-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC[C@H](O)[C@@H](C)CCC 39239309 166203612 /nfs/dbraw/zinc/20/36/12/166203612.db2.gz OWDNANIVJDTFPY-IUCAKERBSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@H](O)Cc1cc(F)cc(F)c1 49348444 166203623 /nfs/dbraw/zinc/20/36/23/166203623.db2.gz MPUZPEYIFANJEF-NSHDSACASA-N 0 0 198.212 2.444 10 30 AEEERN C=CC[C@H](CC)C(C)=O 38004152 166203660 /nfs/dbraw/zinc/20/36/60/166203660.db2.gz GPIYAZNJLJENAN-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC[C@H](CCC)C(=O)OC 28455214 166203736 /nfs/dbraw/zinc/20/37/36/166203736.db2.gz FDPCGENVCAREOA-MRVPVSSYSA-N 0 0 156.225 2.152 10 30 AEEERN C=CC[C@H](O)Cc1ccc(C)cc1 51752790 166203741 /nfs/dbraw/zinc/20/37/41/166203741.db2.gz JRRPHHUBUVADDW-LBPRGKRZSA-N 0 0 176.259 2.475 10 30 AEEERN C=CC[C@H](O)[C@H](C)C(C)C 39239312 166203754 /nfs/dbraw/zinc/20/37/54/166203754.db2.gz MUJONTFSKQDQEX-BDAKNGLRSA-N 0 0 142.242 2.216 10 30 AEEERN C=CC[C@H](O)C1CCCC1 39079734 166203762 /nfs/dbraw/zinc/20/37/62/166203762.db2.gz QYEGOFHGGHSEGJ-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@H](O)Cc1cccc(F)c1 42394785 166203769 /nfs/dbraw/zinc/20/37/69/166203769.db2.gz VDANNXJZJDWUBH-NSHDSACASA-N 0 0 180.222 2.305 10 30 AEEERN C=CC[C@H](O)C(CC)CC 39239319 166203794 /nfs/dbraw/zinc/20/37/94/166203794.db2.gz FNFDFWZZICGIHQ-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@H](O)Cc1ccc(OC)cc1 42394803 166203805 /nfs/dbraw/zinc/20/38/05/166203805.db2.gz WXCZTJDOZIBJSH-NSHDSACASA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@H](O)Cc1cccc(OC)c1 42394795 166203868 /nfs/dbraw/zinc/20/38/68/166203868.db2.gz VYLPXHJACBYPMY-NSHDSACASA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@H](O)C(C)(C)CC 39239327 166203873 /nfs/dbraw/zinc/20/38/73/166203873.db2.gz XPGXZULLVHZCNH-QMMMGPOBSA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@H](O)Cc1ccccc1F 49671344 166203877 /nfs/dbraw/zinc/20/38/77/166203877.db2.gz AUDBFBKPIRFGTJ-JTQLQIEISA-N 0 0 180.222 2.305 10 30 AEEERN C=CC[C@H](O)Cc1ccccc1OC 39148376 166203881 /nfs/dbraw/zinc/20/38/81/166203881.db2.gz WXUOFPZPTBMKMO-NSHDSACASA-N 0 0 192.258 2.175 10 30 AEEERN C=CC[C@H](O)Cc1cccc(C)c1 43561117 166203888 /nfs/dbraw/zinc/20/38/88/166203888.db2.gz OUAUXUVPJXWWCA-LBPRGKRZSA-N 0 0 176.259 2.475 10 30 AEEERN C=CC[C@H](NC(C)=O)c1ccccc1 5283512 166203925 /nfs/dbraw/zinc/20/39/25/166203925.db2.gz GLSHZYVOBOISIX-LBPRGKRZSA-N 0 0 189.258 2.440 10 30 AEEERN C=CC[C@H](O)CCC(C)C 39239305 166203927 /nfs/dbraw/zinc/20/39/27/166203927.db2.gz AVZWZKFORQRRGD-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@H](CCCC)ONC(C)=O 39125993 166203928 /nfs/dbraw/zinc/20/39/28/166203928.db2.gz HCLUFKKIPBLWPW-SNVBAGLBSA-N 0 0 185.267 2.189 10 30 AEEERN C=CC[C@H](O)c1ccc(C#N)cc1 38363190 166203935 /nfs/dbraw/zinc/20/39/35/166203935.db2.gz SJNFMGBQEOYAFH-NSHDSACASA-N 0 0 173.215 2.168 10 30 AEEERN C=CC[C@H](O)COc1ccccc1 34616875 166204008 /nfs/dbraw/zinc/20/40/08/166204008.db2.gz UILAKVDTQNNOKT-JTQLQIEISA-N 0 0 178.231 2.002 10 30 AEEERN C=CC[C@H](O)[C@@H]1CC=CCC1 34355032 166204033 /nfs/dbraw/zinc/20/40/33/166204033.db2.gz JFZODRVNIRJQPT-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=CC[C@H](O)c1cccs1 39245389 166204649 /nfs/dbraw/zinc/20/46/49/166204649.db2.gz KRBDYAKQPULVNR-ZETCQYMHSA-N 0 0 154.234 2.358 10 30 AEEERN C=CC[C@]1(C)C[C@@H](C)N(C(C)=O)C1 39126348 166204664 /nfs/dbraw/zinc/20/46/64/166204664.db2.gz FSLIQPQXKXCWES-MWLCHTKSSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC[C@]1(C)CCCO1 104831304 166204715 /nfs/dbraw/zinc/20/47/15/166204715.db2.gz WRFGMLQFMIKBIB-MRVPVSSYSA-N 0 0 126.199 2.132 10 30 AEEERN C=CC[C@H]1CC(C)=C/C1=N/O 39111492 166204750 /nfs/dbraw/zinc/20/47/50/166204750.db2.gz NLRPUWQCZNTBAA-HHHOFRBGSA-N 0 0 151.209 2.359 10 30 AEEERN C=CC[C@H]1C[C@H](C(C)C)N(C)O1 39104359 166204796 /nfs/dbraw/zinc/20/47/96/166204796.db2.gz UKXQPYKKEWOOPP-VHSXEESVSA-N 0 0 169.268 2.223 10 30 AEEERN C=CC[C@]1(C=O)CC=CCC1 75538820 166204857 /nfs/dbraw/zinc/20/48/57/166204857.db2.gz PGOPDSUQGVMKLE-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@]1(C)CCC(=O)C1 34115188 166204865 /nfs/dbraw/zinc/20/48/65/166204865.db2.gz DBBBXDIKKDMCBZ-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC[C@H]1CCC[C@H](F)C1=O 39125419 166204885 /nfs/dbraw/zinc/20/48/85/166204885.db2.gz RIDRSQFKFUVHEL-YUMQZZPRSA-N 0 0 156.200 2.270 10 30 AEEERN C=CC[C@]1(O)C=CCCC1 135116537 166204891 /nfs/dbraw/zinc/20/48/91/166204891.db2.gz UVKHQVZAPOEZQO-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN C=CC[C@]1(C(C)=O)CCCCC1=O 37627156 166204941 /nfs/dbraw/zinc/20/49/41/166204941.db2.gz TUQLVPINSFVPOL-LLVKDONJSA-N 0 0 180.247 2.281 10 30 AEEERN C=CC[C@H]1C[C@@H](C(C)C)N(C)O1 39104358 166204999 /nfs/dbraw/zinc/20/49/99/166204999.db2.gz UKXQPYKKEWOOPP-UWVGGRQHSA-N 0 0 169.268 2.223 10 30 AEEERN C=CC[C@](Br)(C=O)CC 75580009 166205061 /nfs/dbraw/zinc/20/50/61/166205061.db2.gz PUKZNBXCVBLXNF-ZETCQYMHSA-N 0 0 191.068 2.305 10 30 AEEERN C=CC[C@H]1Cc2ccccc2[C@H]1O 44469908 166205088 /nfs/dbraw/zinc/20/50/88/166205088.db2.gz NJTCIXVVAVYEQB-JQWIXIFHSA-N 0 0 174.243 2.468 10 30 AEEERN C=CC[C@](C)(CC)NC(=O)OC 201699010 166205126 /nfs/dbraw/zinc/20/51/26/166205126.db2.gz AJWCRTLZAYLVOG-VIFPVBQESA-N 0 0 171.240 2.087 10 30 AEEERN C=CC[C@]1(C=O)C(=O)C(C)=CC1(C)C 75580938 166205193 /nfs/dbraw/zinc/20/51/93/166205193.db2.gz QOZKETDKAOHLKQ-LBPRGKRZSA-N 0 0 192.258 2.303 10 30 AEEERN C=CC[C@](C)(O)c1cccc(N)c1 8701529 166205239 /nfs/dbraw/zinc/20/52/39/166205239.db2.gz ZWCMLAMPKZGRII-NSHDSACASA-N 0 0 177.247 2.052 10 30 AEEERN C=CC[C@](C)(O)c1ccc(N)cc1 8701527 166205446 /nfs/dbraw/zinc/20/54/46/166205446.db2.gz CYFLFJDSVRSFPN-NSHDSACASA-N 0 0 177.247 2.052 10 30 AEEERN C=CC[C@H](O)c1cccc(O)c1 38973145 166205571 /nfs/dbraw/zinc/20/55/71/166205571.db2.gz UJRADAMUOXMGSG-JTQLQIEISA-N 0 0 164.204 2.002 10 30 AEEERN C=CC[C@H]1Cc2ccccc2[C@@H]1O 44469903 166205638 /nfs/dbraw/zinc/20/56/38/166205638.db2.gz NJTCIXVVAVYEQB-CMPLNLGQSA-N 0 0 174.243 2.468 10 30 AEEERN C=CC[C@H]1C=CC=CN1C(=O)OC 39139320 166205674 /nfs/dbraw/zinc/20/56/74/166205674.db2.gz UFPQEWUUMOWQNP-VIFPVBQESA-N 0 0 179.219 2.083 10 30 AEEERN C=CC[C@]1(C)CC/C(=C\N(C)C)C1=O 39112297 166205733 /nfs/dbraw/zinc/20/57/33/166205733.db2.gz MNLGZTDTCNNLBV-BZYZDCJZSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@H]1CCCC(=O)C1 34454808 166205799 /nfs/dbraw/zinc/20/57/99/166205799.db2.gz AQDZXPLGDCMLEH-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC[C@H]1C=CN(C)C(=S)C1 39124645 166205817 /nfs/dbraw/zinc/20/58/17/166205817.db2.gz ZHSUNEPNNZFPNB-QMMMGPOBSA-N 0 0 167.277 2.355 10 30 AEEERN C=CC[C@]1(C=O)CCCC1=C 45793487 166205824 /nfs/dbraw/zinc/20/58/24/166205824.db2.gz VWFBNCLJAWOGEI-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@H]1CCC[C@@H](C#N)C1=O 104836978 166205856 /nfs/dbraw/zinc/20/58/56/166205856.db2.gz CTRAZQYLYBQBRI-IUCAKERBSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@](C)(O)C(C)(C)C 39189126 166205872 /nfs/dbraw/zinc/20/58/72/166205872.db2.gz NKCXAYBGSFSPDJ-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@H]1OC(=O)c2ccccc21 36419987 166205900 /nfs/dbraw/zinc/20/59/00/166205900.db2.gz PJOHJJXEKVGSSP-SNVBAGLBSA-N 0 0 174.199 2.474 10 30 AEEERN C=CC[C@H]1CCC=CCCC(=O)N1 255980612 166205938 /nfs/dbraw/zinc/20/59/38/166205938.db2.gz JETZQAGKMLXYJK-JTQLQIEISA-N 0 0 179.263 2.178 10 30 AEEERN C=CC[C@H]1CC(C)=C(C)C1=O 39059200 166206022 /nfs/dbraw/zinc/20/60/22/166206022.db2.gz KNTHKQAZUNQIIS-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=CC[C@]1(C=O)C(=O)C=C(C)C1(C)C 75580937 166206027 /nfs/dbraw/zinc/20/60/27/166206027.db2.gz KUYVXSKDINVNMU-LBPRGKRZSA-N 0 0 192.258 2.303 10 30 AEEERN C=CC[C@H](O)c1ccccc1O 38760077 166206030 /nfs/dbraw/zinc/20/60/30/166206030.db2.gz YHAQIVRSLVEKHY-VIFPVBQESA-N 0 0 164.204 2.002 10 30 AEEERN C=CC[C@H]1CCC[C@@H](O)C1 34155574 166206043 /nfs/dbraw/zinc/20/60/43/166206043.db2.gz OPWMLWHXIUSITO-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@](C)(O)c1cccc(OC)c1 34061187 166206057 /nfs/dbraw/zinc/20/60/57/166206057.db2.gz KJWXOBGZWVEJSK-LBPRGKRZSA-N 0 0 192.258 2.479 10 30 AEEERN C=CC[C@H]1CCCCN1C(=O)OC 39125842 166206090 /nfs/dbraw/zinc/20/60/90/166206090.db2.gz BKHWDILEXILGEE-VIFPVBQESA-N 0 0 183.251 2.183 10 30 AEEERN C=CC[C@H]1CCC[C@H](C#N)C1=O 104836974 166206096 /nfs/dbraw/zinc/20/60/96/166206096.db2.gz CTRAZQYLYBQBRI-DTWKUNHWSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@](C)(O)CC(C)C 37625035 166206106 /nfs/dbraw/zinc/20/61/06/166206106.db2.gz YUJFBCFZSKPSCZ-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=CC[C@]1(O)CCc2ccccc21 34753354 166206113 /nfs/dbraw/zinc/20/61/13/166206113.db2.gz XQJUAXWZUOFZNI-LBPRGKRZSA-N 0 0 174.243 2.397 10 30 AEEERN C=CC[C@H]1CCC[C@@H](F)C1=O 39125421 166206122 /nfs/dbraw/zinc/20/61/22/166206122.db2.gz RIDRSQFKFUVHEL-JGVFFNPUSA-N 0 0 156.200 2.270 10 30 AEEERN C=CC[C@H]1CCC[C@H](O)C1 34155572 166206127 /nfs/dbraw/zinc/20/61/27/166206127.db2.gz OPWMLWHXIUSITO-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@H]1C=CCC(=S)N1C 34408197 166206129 /nfs/dbraw/zinc/20/61/29/166206129.db2.gz YKECCUQUZJMCKQ-QMMMGPOBSA-N 0 0 167.277 2.150 10 30 AEEERN C=CC[C@]1(C)C[C@H](C)N(C(C)=O)C1 39126349 166206132 /nfs/dbraw/zinc/20/61/32/166206132.db2.gz FSLIQPQXKXCWES-GXSJLCMTSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCc1cc(C)c(O)c(OC)c1 64633622 166206144 /nfs/dbraw/zinc/20/61/44/166206144.db2.gz HROZLGRKFUCIJJ-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 in-vitro AEEERN C=CCc1ccc(OC)cc1O 33947454 166206412 /nfs/dbraw/zinc/20/64/12/166206412.db2.gz MKJJSXMKFUCBAM-UHFFFAOYSA-N 0 0 164.204 2.129 10 30 AEEERN C=CC[C@]12CCC[C@@]1(OC)OCC2 34455104 166206428 /nfs/dbraw/zinc/20/64/28/166206428.db2.gz DQLFODAKWLFVNG-GHMZBOCLSA-N 0 0 182.263 2.496 10 30 AEEERN C=CCc1cc(F)ccc1O 33464684 166206431 /nfs/dbraw/zinc/20/64/31/166206431.db2.gz HLYCSAINLGEGSJ-UHFFFAOYSA-N 0 0 152.168 2.260 10 30 AEEERN C=CCc1ccc(O)c(C)c1 34119955 166206537 /nfs/dbraw/zinc/20/65/37/166206537.db2.gz BEYRARVOHDHKTG-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN C=CCc1cc(CCOC)ccc1O 52064460 166206563 /nfs/dbraw/zinc/20/65/63/166206563.db2.gz ZGOQPWWZGIZUGN-UHFFFAOYSA-N 0 0 192.258 2.310 10 30 AEEERN C=CCc1cc2c(s1)C(=O)OC2 168523819 166206572 /nfs/dbraw/zinc/20/65/72/166206572.db2.gz AGZMPFVTZQTERL-UHFFFAOYSA-N 0 0 180.228 2.147 10 30 AEEERN C=CCc1c(C)cccc1O 35854879 166206613 /nfs/dbraw/zinc/20/66/13/166206613.db2.gz OTTGOWRAGVAQEV-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN C=CCc1ccc(O)c2c1O[C@@H](C)C2 75579735 166206616 /nfs/dbraw/zinc/20/66/16/166206616.db2.gz VBYRSBZHYOGFTD-QMMMGPOBSA-N 0 0 190.242 2.444 10 30 AEEERN C=CCc1c(O)ccc2c1CCO2 25972426 166206689 /nfs/dbraw/zinc/20/66/89/166206689.db2.gz AATOWOBZKRHGSU-UHFFFAOYSA-N 0 0 176.215 2.056 10 30 AEEERN C=CCc1ccc(F)cc1O 1562056 166206705 /nfs/dbraw/zinc/20/67/05/166206705.db2.gz WUNQTXVVERFOSK-UHFFFAOYSA-N 0 0 152.168 2.260 10 30 AEEERN C=CCc1cc2c(cc1O)CCO2 25975476 166206898 /nfs/dbraw/zinc/20/68/98/166206898.db2.gz OANFSEHROSIYSQ-UHFFFAOYSA-N 0 0 176.215 2.056 10 30 AEEERN C=CCc1ccc(C#N)cc1OC 144512091 166206908 /nfs/dbraw/zinc/20/69/08/166206908.db2.gz ANDZEDLTCPUGQS-UHFFFAOYSA-N 0 0 173.215 2.295 10 30 AEEERN C=CCc1ccc(O)cc1C 39059078 166206909 /nfs/dbraw/zinc/20/69/09/166206909.db2.gz VGURTWJLAUCUIO-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN C=CCc1c(O)ccc(OC)c1OC 33822893 166206932 /nfs/dbraw/zinc/20/69/32/166206932.db2.gz SUDSRFZXMQQZOK-UHFFFAOYSA-N 0 0 194.230 2.138 10 30 AEEERN C=CCc1ccc(F)cc1N 39088438 166206933 /nfs/dbraw/zinc/20/69/33/166206933.db2.gz XMLSDKIAHYPSFH-UHFFFAOYSA-N 0 0 151.184 2.136 10 30 AEEERN C=CC[C@]12CCC[C@]1(OC)OCC2 34455105 166206949 /nfs/dbraw/zinc/20/69/49/166206949.db2.gz DQLFODAKWLFVNG-MNOVXSKESA-N 0 0 182.263 2.496 10 30 AEEERN C=CCc1cc(O)c(O)cc1C 75546059 166206970 /nfs/dbraw/zinc/20/69/70/166206970.db2.gz OKAILJSRZHLPSS-UHFFFAOYSA-N 0 0 164.204 2.135 10 30 AEEERN C=CCc1ccc(C#N)c(OC)c1 113484449 166207002 /nfs/dbraw/zinc/20/70/02/166207002.db2.gz UDUNAFIGUIQMJZ-UHFFFAOYSA-N 0 0 173.215 2.295 10 30 AEEERN C=CCc1c(O)cc(OC)cc1OC 34622399 166207014 /nfs/dbraw/zinc/20/70/14/166207014.db2.gz QHEQVNMRWJJAGT-UHFFFAOYSA-N 0 0 194.230 2.138 10 30 AEEERN C=CCc1c(N)cccc1OC 39089518 166207024 /nfs/dbraw/zinc/20/70/24/166207024.db2.gz UQKYZJRHFVXHJJ-UHFFFAOYSA-N 0 0 163.220 2.006 10 30 AEEERN C=CCc1c(O)cccc1OC 1846502 166207034 /nfs/dbraw/zinc/20/70/34/166207034.db2.gz ZQPSHYPSWNKGNF-UHFFFAOYSA-N 0 0 164.204 2.129 10 30 AEEERN C=CCc1ccc(C)cc1N 95922473 166207041 /nfs/dbraw/zinc/20/70/41/166207041.db2.gz OSTCNIIZUAUWFZ-UHFFFAOYSA-N 0 0 147.221 2.306 10 30 AEEERN C=CC[C@]1(c2ccccc2)CO1 39168202 166207052 /nfs/dbraw/zinc/20/70/52/166207052.db2.gz RHXFBTVZUYESQM-LLVKDONJSA-N 0 0 160.216 2.488 10 30 AEEERN C=CCc1cc2ccccc2n1OC 90735511 166207078 /nfs/dbraw/zinc/20/70/78/166207078.db2.gz SNZITGZVOBRKAO-UHFFFAOYSA-N 0 0 187.242 2.428 10 30 AEEERN C=CCc1cc(C)cc(N(C)C)c1O 75580241 166207087 /nfs/dbraw/zinc/20/70/87/166207087.db2.gz RZVMJAFABAYACD-UHFFFAOYSA-N 0 0 191.274 2.495 10 30 AEEERN C=CCc1ccc(O)cc1N(C)C 75567635 166207110 /nfs/dbraw/zinc/20/71/10/166207110.db2.gz QJWAGBHNAJHXJV-UHFFFAOYSA-N 0 0 177.247 2.187 10 30 AEEERN C=CCc1c(O)cccc1N(C)C 75567636 166207140 /nfs/dbraw/zinc/20/71/40/166207140.db2.gz HQLTTZQVRGUPAA-UHFFFAOYSA-N 0 0 177.247 2.187 10 30 AEEERN C=CCc1ccc(C(C)=O)nc1 45796421 166207141 /nfs/dbraw/zinc/20/71/41/166207141.db2.gz QKVFQXRBHRIVGC-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN C=CCc1cc(F)ccc1N 39088447 166207168 /nfs/dbraw/zinc/20/71/68/166207168.db2.gz IEBPSSNXCKFXTJ-UHFFFAOYSA-N 0 0 151.184 2.136 10 30 AEEERN C=CCc1ccc(C(=O)OC)cc1 38265953 166207184 /nfs/dbraw/zinc/20/71/84/166207184.db2.gz XLZPPHWBAKACEX-UHFFFAOYSA-N 0 0 176.215 2.202 10 30 AEEERN C=CCc1ccc(OC)c(N)c1 39136171 166207207 /nfs/dbraw/zinc/20/72/07/166207207.db2.gz XTSJQKBGIFNHCC-UHFFFAOYSA-N 0 0 163.220 2.006 10 30 AEEERN C=CCc1ccc(F)cc1C=O 6665686 166207229 /nfs/dbraw/zinc/20/72/29/166207229.db2.gz LDLAZJNOTCSKCN-UHFFFAOYSA-N 0 0 164.179 2.367 10 30 AEEERN C=CCc1cc2c(c(C)c1O)CCO2 25973940 166207232 /nfs/dbraw/zinc/20/72/32/166207232.db2.gz QKWNMJFNRFJGED-UHFFFAOYSA-N 0 0 190.242 2.364 10 30 AEEERN C=CCc1ccc(O)c2c1O[C@H](C)C2 75579734 166207237 /nfs/dbraw/zinc/20/72/37/166207237.db2.gz VBYRSBZHYOGFTD-MRVPVSSYSA-N 0 0 190.242 2.444 10 30 AEEERN C=CCc1c(O)cccc1F 39088476 166207253 /nfs/dbraw/zinc/20/72/53/166207253.db2.gz RRUIKDIGARKZIA-UHFFFAOYSA-N 0 0 152.168 2.260 10 30 AEEERN C=CCc1cc(F)cc(F)c1O 52064469 166207267 /nfs/dbraw/zinc/20/72/67/166207267.db2.gz RFVLMORJPYYODL-UHFFFAOYSA-N 0 0 170.158 2.399 10 30 AEEERN C=CCc1c(O)cccc1NC(C)=O 345463 166207277 /nfs/dbraw/zinc/20/72/77/166207277.db2.gz DCGKMAMUVWHACT-UHFFFAOYSA-N 0 0 191.230 2.079 10 30 AEEERN C=CCc1ccc(O)cc1F 39088475 166207286 /nfs/dbraw/zinc/20/72/86/166207286.db2.gz DTUHIROUNLPZBJ-UHFFFAOYSA-N 0 0 152.168 2.260 10 30 AEEERN C=CCc1ccc(C)cc1O 33946418 166207293 /nfs/dbraw/zinc/20/72/93/166207293.db2.gz RSWJLLSRQRPPPG-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN C=CCn1c(C)nnc1SCCC 20425335 166208133 /nfs/dbraw/zinc/20/81/33/166208133.db2.gz FMOBLGOPAALTPO-UHFFFAOYSA-N 0 0 197.307 2.275 10 30 AEEERN C=CCn1c(C)cc(C(C)=O)c1C 20216392 166208144 /nfs/dbraw/zinc/20/81/44/166208144.db2.gz VCVDXNLEJZDUIP-UHFFFAOYSA-N 0 0 177.247 2.494 10 30 AEEERN C=CCc1ccccc1N(C)C(C)=O 39126379 166208173 /nfs/dbraw/zinc/20/81/73/166208173.db2.gz HYBAUFQOBCSCKY-UHFFFAOYSA-N 0 0 189.258 2.398 10 30 AEEERN C=CCc1ncc(C)s1 38759426 166208188 /nfs/dbraw/zinc/20/81/88/166208188.db2.gz GUCUZGSWVZBQNX-UHFFFAOYSA-N 0 0 139.223 2.180 10 30 AEEERN C=CCc1cccc(O)c1OC 32203848 166208213 /nfs/dbraw/zinc/20/82/13/166208213.db2.gz HKHVWTUGAJEQNP-UHFFFAOYSA-N 0 0 164.204 2.129 10 30 AEEERN C=CCc1ccsc1C=O 39090897 166208219 /nfs/dbraw/zinc/20/82/19/166208219.db2.gz GXTTUULQNYPXAS-UHFFFAOYSA-N 0 0 152.218 2.289 10 30 AEEERN C=CCn1c(CC)nnc1SCC 20425647 166208281 /nfs/dbraw/zinc/20/82/81/166208281.db2.gz BIOXYCRQNXLYGJ-UHFFFAOYSA-N 0 0 197.307 2.139 10 30 AEEERN C=CCn1c(C)cc2c1CCC[C@H]2O 41716870 166208309 /nfs/dbraw/zinc/20/83/09/166208309.db2.gz XFKCIPHRHJDDLJ-GFCCVEGCSA-N 0 0 191.274 2.352 10 30 AEEERN C=CCc1ncc(C)cc1C 34172652 166208330 /nfs/dbraw/zinc/20/83/30/166208330.db2.gz XXNQPUADQKRVEF-UHFFFAOYSA-N 0 0 147.221 2.427 10 30 AEEERN C=CCc1ccc2c(c1C)COC2=O 113514977 166208331 /nfs/dbraw/zinc/20/83/31/166208331.db2.gz XVEJOWYOVVGMDN-UHFFFAOYSA-N 0 0 188.226 2.394 10 30 AEEERN C=CCc1ccnc(Cl)c1 39184679 166208332 /nfs/dbraw/zinc/20/83/32/166208332.db2.gz QQBJFRHRGMOSBQ-UHFFFAOYSA-N 0 0 153.612 2.464 10 30 AEEERN C=CCc1sc2c(c1C)COC2=O 168522628 166208367 /nfs/dbraw/zinc/20/83/67/166208367.db2.gz AZFKMCJHSCNIAJ-UHFFFAOYSA-N 0 0 194.255 2.455 10 30 AEEERN C=CCn1cc(NCCCC)cn1 40544067 166208380 /nfs/dbraw/zinc/20/83/80/166208380.db2.gz ZOGYNXZEZSGFCV-UHFFFAOYSA-N 0 0 179.267 2.281 10 30 AEEERN C=CCc1ccco1 32175850 166208399 /nfs/dbraw/zinc/20/83/99/166208399.db2.gz ZNCOUMAUNDVFCZ-UHFFFAOYSA-N 0 0 108.140 2.008 10 30 in-vitro AEEERN C=CCn1c(C)cc2c1CCC[C@@H]2O 41716866 166208405 /nfs/dbraw/zinc/20/84/05/166208405.db2.gz XFKCIPHRHJDDLJ-LBPRGKRZSA-N 0 0 191.274 2.352 10 30 AEEERN C=CCc1ccc(OCOC)cc1 38434167 166208453 /nfs/dbraw/zinc/20/84/53/166208453.db2.gz VYRBHKNXUFOBGW-UHFFFAOYSA-N 0 0 178.231 2.398 10 30 AEEERN C=CCc1cccc(C(C)=O)c1O 24863276 166208456 /nfs/dbraw/zinc/20/84/56/166208456.db2.gz MTJHOBKCHPGIOG-UHFFFAOYSA-N 0 0 176.215 2.323 10 30 AEEERN C=CCn1c(NC)nc2ccccc21 75416102 166208461 /nfs/dbraw/zinc/20/84/61/166208461.db2.gz ODTKVFDJJMKGOI-UHFFFAOYSA-N 0 0 187.246 2.264 10 30 AEEERN C=CCc1ccccc1OCCC=O 11569658 166208474 /nfs/dbraw/zinc/20/84/74/166208474.db2.gz OKHKCIIGRMMAPI-UHFFFAOYSA-N 0 0 190.242 2.383 10 30 AEEERN C=CCc1cccc2[nH]cnc12 89195146 166208487 /nfs/dbraw/zinc/20/84/87/166208487.db2.gz VAQDHCGHWFAORM-UHFFFAOYSA-N 0 0 158.204 2.291 10 30 AEEERN C=CCn1c(C)nc2c(N)cccc21 36282302 166208538 /nfs/dbraw/zinc/20/85/38/166208538.db2.gz JNGAHTQGSISVQJ-UHFFFAOYSA-N 0 0 187.246 2.113 10 30 AEEERN C=CCc1ccccc1[N+](=O)[O-] 21990648 166208549 /nfs/dbraw/zinc/20/85/49/166208549.db2.gz OALFDWPAELOMNW-UHFFFAOYSA-N 0 0 163.176 2.323 10 30 AEEERN C=CCn1c(NC#N)nc2ccccc21 95923360 166208552 /nfs/dbraw/zinc/20/85/52/166208552.db2.gz JGYMZMFPZRZPRL-UHFFFAOYSA-N 0 0 198.229 2.115 10 30 AEEERN C=CCn1ccc(=O)c2ccccc21 103266873 166208574 /nfs/dbraw/zinc/20/85/74/166208574.db2.gz DVBSJJCCPYPPRV-UHFFFAOYSA-N 0 0 185.226 2.188 10 30 AEEERN C=CCc1cccc(C=O)c1OC 66117895 166208590 /nfs/dbraw/zinc/20/85/90/166208590.db2.gz PIYWTMLEOWIATO-UHFFFAOYSA-N 0 0 176.215 2.236 10 30 AEEERN C=CCc1ncc(C)nc1CC=C 45814350 166208606 /nfs/dbraw/zinc/20/86/06/166208606.db2.gz GVBJFEKLNYJKKB-UHFFFAOYSA-N 0 0 174.247 2.242 10 30 AEEERN C=CCn1cc(NCC(C)C)cn1 40544064 166208607 /nfs/dbraw/zinc/20/86/07/166208607.db2.gz MNGYFVCDOHOQDL-UHFFFAOYSA-N 0 0 179.267 2.137 10 30 AEEERN C=CCc1cccn1C(=O)OCC 39139396 166208613 /nfs/dbraw/zinc/20/86/13/166208613.db2.gz HJZHEQJWVWVTPZ-UHFFFAOYSA-N 0 0 179.219 2.221 10 30 AEEERN C=CCc1ccc2c(c1)COC2=O 113485129 166208731 /nfs/dbraw/zinc/20/87/31/166208731.db2.gz STHOMBUIKADCFV-UHFFFAOYSA-N 0 0 174.199 2.086 10 30 AEEERN C=CCc1ccnc(CC)c1 39050268 166208754 /nfs/dbraw/zinc/20/87/54/166208754.db2.gz DIEHGTNHNNXVBY-UHFFFAOYSA-N 0 0 147.221 2.373 10 30 AEEERN C=CCn1c(CC#N)nc2ccccc21 75599955 166208855 /nfs/dbraw/zinc/20/88/55/166208855.db2.gz XQVKIJFLTOFJDC-UHFFFAOYSA-N 0 0 197.241 2.288 10 30 AEEERN C=CCn1ccc2ccc(N)cc21 52924001 166209645 /nfs/dbraw/zinc/20/96/45/166209645.db2.gz OAGWCDDDZPEAOA-UHFFFAOYSA-N 0 0 172.231 2.410 10 30 AEEERN C=CCn1sc2ccccc2c1=O 96271383 166209763 /nfs/dbraw/zinc/20/97/63/166209763.db2.gz BUQJUCVPPUJQBJ-UHFFFAOYSA-N 0 0 191.255 2.249 10 30 AEEERN C=CCn1ccnc1-c1ccc(N)cc1 52924009 166210250 /nfs/dbraw/zinc/21/02/50/166210250.db2.gz MFILSKDMASLLSU-UHFFFAOYSA-N 0 0 199.257 2.318 10 30 AEEERN C=CCn1ccc2cc(N)ccc21 52924000 166210510 /nfs/dbraw/zinc/21/05/10/166210510.db2.gz AOXQYXQDAABHIX-UHFFFAOYSA-N 0 0 172.231 2.410 10 30 AEEERN C=CCn1ccnc1-c1cccc(N)c1 52924007 166210581 /nfs/dbraw/zinc/21/05/81/166210581.db2.gz XDNVPMVTVNWOKP-UHFFFAOYSA-N 0 0 199.257 2.318 10 30 AEEERN C=CCn1ccc2c1CCC[C@H]2O 41716886 166210626 /nfs/dbraw/zinc/21/06/26/166210626.db2.gz RZOINZYFOOUSQC-LLVKDONJSA-N 0 0 177.247 2.044 10 30 AEEERN C=CCn1ccccc1=S 39124525 166210778 /nfs/dbraw/zinc/21/07/78/166210778.db2.gz XUNOEWDLYLYJLG-UHFFFAOYSA-N 0 0 151.234 2.404 10 30 AEEERN C=CCn1cccc1C=C 39078025 166210806 /nfs/dbraw/zinc/21/08/06/166210806.db2.gz KDQCYSDEUQEOOW-UHFFFAOYSA-N 0 0 133.194 2.317 10 30 AEEERN C=CCn1ccc2c1CCC[C@@H]2O 41716882 166210825 /nfs/dbraw/zinc/21/08/25/166210825.db2.gz RZOINZYFOOUSQC-NSHDSACASA-N 0 0 177.247 2.044 10 30 AEEERN C=CCn1ccc2c1CCCC2=O 39598862 166211000 /nfs/dbraw/zinc/21/10/00/166211000.db2.gz VYEFMVSTAZRINB-UHFFFAOYSA-N 0 0 175.231 2.193 10 30 AEEERN C=CCn1cnc(-c2ccc(N)cc2)c1 40543047 166211007 /nfs/dbraw/zinc/21/10/07/166211007.db2.gz KWZFZYJZSVMDNL-UHFFFAOYSA-N 0 0 199.257 2.318 10 30 AEEERN C=CO/N=C(/C)c1ccco1 33691947 166211051 /nfs/dbraw/zinc/21/10/51/166211051.db2.gz TVUXECYKLUVKBJ-CLFYSBASSA-N 0 0 151.165 2.164 10 30 AEEERN C=COc1cccc(C#N)c1 36436781 166211438 /nfs/dbraw/zinc/21/14/38/166211438.db2.gz HXZPDCUIXJROII-UHFFFAOYSA-N 0 0 145.161 2.081 10 30 AEEERN C=COc1ccc(C#N)cc1 75537556 166211582 /nfs/dbraw/zinc/21/15/82/166211582.db2.gz NSBWRQSIQVZTAF-UHFFFAOYSA-N 0 0 145.161 2.081 10 30 AEEERN C=COc1ccccc1C#N 35854868 166211877 /nfs/dbraw/zinc/21/18/77/166211877.db2.gz WFGNDEQNAPPJNZ-UHFFFAOYSA-N 0 0 145.161 2.081 10 30 AEEERN C=COCCCCOC(=O)C(=C)C 34599463 166211928 /nfs/dbraw/zinc/21/19/28/166211928.db2.gz ZEUGUMVMFBIRJG-UHFFFAOYSA-N 0 0 184.235 2.046 10 30 AEEERN C=COc1cc(C#N)ccc1OC 39089902 166212177 /nfs/dbraw/zinc/21/21/77/166212177.db2.gz IWRSXFWZPBVCKS-UHFFFAOYSA-N 0 0 175.187 2.089 10 30 AEEERN C=C[C@@H](C)[C@@H](C)C(C)=O 39068203 166212615 /nfs/dbraw/zinc/21/26/15/166212615.db2.gz HXVTYHADXTWQFJ-RNFRBKRXSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@@H](C)Sc1ncccc1N 52142519 166212669 /nfs/dbraw/zinc/21/26/69/166212669.db2.gz OMBPUYWDPZGRMQ-SSDOTTSWSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@@H](C)Nc1ccnc2cccnc12 335908883 166212693 /nfs/dbraw/zinc/21/26/93/166212693.db2.gz GDJHTVGDHMWAGF-SECBINFHSA-N 0 0 199.257 2.038 10 30 AEEERN C=C[C@@H](C)[C@@H]1CCCC[C@@H]1O 52144618 166212709 /nfs/dbraw/zinc/21/27/09/166212709.db2.gz HZLDZDBVLZNKRU-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@@H](C)[C@H](F)C(=O)N1CCCCC1 210178056 166212766 /nfs/dbraw/zinc/21/27/66/166212766.db2.gz UESSHCNYURVSGZ-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@@H](C)Oc1ccccc1C=O 52142337 166212773 /nfs/dbraw/zinc/21/27/73/166212773.db2.gz IIIWGMNSRVKOPC-SECBINFHSA-N 0 0 176.215 2.452 10 30 AEEERN C=C[C@@H](C)Oc1cccc(N)c1 52144496 166212792 /nfs/dbraw/zinc/21/27/92/166212792.db2.gz SLULLUFZTJTWJK-MRVPVSSYSA-N 0 0 163.220 2.222 10 30 AEEERN C=C[C@@H](C=O)c1ccccc1 39399923 166212793 /nfs/dbraw/zinc/21/27/93/166212793.db2.gz KOTCAHMHPWDPOG-VIFPVBQESA-N 0 0 146.189 2.155 10 30 AEEERN C=C[C@@H](C)Oc1ccccc1N 39089510 166212807 /nfs/dbraw/zinc/21/28/07/166212807.db2.gz YHPDSSJEATUVJQ-MRVPVSSYSA-N 0 0 163.220 2.222 10 30 AEEERN C=C[C@@H](C)n1nnc2ccccc21 5370728 166212815 /nfs/dbraw/zinc/21/28/15/166212815.db2.gz CGGJGRSMLCXNLG-MRVPVSSYSA-N 0 0 173.219 2.178 10 30 AEEERN C=C[C@@H](C)c1cccc(N)c1O 39136039 166212861 /nfs/dbraw/zinc/21/28/61/166212861.db2.gz CTSRQUSAWAEENL-SSDOTTSWSA-N 0 0 163.220 2.264 10 30 AEEERN C=C[C@@H](C)Oc1ccc(N)cc1 52144501 166212864 /nfs/dbraw/zinc/21/28/64/166212864.db2.gz FEXZHZCXTNIGLN-MRVPVSSYSA-N 0 0 163.220 2.222 10 30 AEEERN C=C[C@@H](C)CCC(C)=O 39068207 166212882 /nfs/dbraw/zinc/21/28/82/166212882.db2.gz PGDGAJMRMWVTTA-SSDOTTSWSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@@H](CCCC)OC(C)=O 33506304 166212884 /nfs/dbraw/zinc/21/28/84/166212884.db2.gz SIOVHXRHPCJGFJ-VIFPVBQESA-N 0 0 156.225 2.294 10 30 AEEERN C=C[C@@H](C)n1cccc1C=O 34621693 166212889 /nfs/dbraw/zinc/21/28/89/166212889.db2.gz CKFHVJUQIHYLPI-MRVPVSSYSA-N 0 0 149.193 2.048 10 30 AEEERN C=C[C@@H](C)[C@@H](F)C(=O)N1CCCCC1 39055238 166212890 /nfs/dbraw/zinc/21/28/90/166212890.db2.gz UESSHCNYURVSGZ-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@@H](C)n1cccc1 39073481 166212903 /nfs/dbraw/zinc/21/29/03/166212903.db2.gz OOPWZGTVIWDJJE-MRVPVSSYSA-N 0 0 121.183 2.235 10 30 AEEERN C=C[C@@H](C)[N@H+](CCC(=O)[O-])C(C)(C)C 52143605 166212906 /nfs/dbraw/zinc/21/29/06/166212906.db2.gz MDRPHTHURUQHBA-SECBINFHSA-N 0 0 199.294 2.136 10 30 AEEERN C=C[C@@H](C)c1ccc[nH]1 34224161 166212912 /nfs/dbraw/zinc/21/29/12/166212912.db2.gz ISTLOKLBQBAVRV-SSDOTTSWSA-N 0 0 121.183 2.304 10 30 AEEERN C=C[C@@H](C)[C@H]1CCCC[C@@H]1O 52144622 166212926 /nfs/dbraw/zinc/21/29/26/166212926.db2.gz HZLDZDBVLZNKRU-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@@H](C)[C@H]1CCC(=O)[C@@H]1C 34454867 166212927 /nfs/dbraw/zinc/21/29/27/166212927.db2.gz HZPTUZOVSXOQLC-IWSPIJDZSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@@H](C)CNC(=O)c1ccccc1 39126470 166212958 /nfs/dbraw/zinc/21/29/58/166212958.db2.gz DIMJCDBZEOOQPR-SNVBAGLBSA-N 0 0 189.258 2.239 10 30 AEEERN C=C[C@@H](C)[N@@H+](CCCC(=O)[O-])C(C)C 52143595 166212970 /nfs/dbraw/zinc/21/29/70/166212970.db2.gz JDDNKJXAWXORHG-SNVBAGLBSA-N 0 0 199.294 2.136 10 30 AEEERN C=C[C@@H](C)C[C@@H](C)C=O 75522156 166212973 /nfs/dbraw/zinc/21/29/73/166212973.db2.gz UPFAZXHPUFNFCG-HTQZYQBOSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@@H](C)NC(=O)N1CCCC1(C)C 336173009 166212979 /nfs/dbraw/zinc/21/29/79/166212979.db2.gz PCEFOVKLIUAZNS-SECBINFHSA-N 0 0 196.294 2.145 10 30 AEEERN C=C[C@@H](C)Sc1ccc(N)cn1 52142525 166213027 /nfs/dbraw/zinc/21/30/27/166213027.db2.gz ZWBCIZDLHARCTO-SSDOTTSWSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@@H](C)c1ccccn1 39243548 166213062 /nfs/dbraw/zinc/21/30/62/166213062.db2.gz ITCCGXTVFNNOHA-MRVPVSSYSA-N 0 0 133.194 2.371 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccccc1 32155190 166213064 /nfs/dbraw/zinc/21/30/64/166213064.db2.gz ZNWBXXLWBPWQAT-SECBINFHSA-N 0 0 176.215 2.418 10 30 AEEERN C=C[C@@H](C)C[C@H](C)C=O 75522165 166213104 /nfs/dbraw/zinc/21/31/04/166213104.db2.gz UPFAZXHPUFNFCG-SFYZADRCSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@@H](C)C[C@@H](O)CCC 52144577 166213111 /nfs/dbraw/zinc/21/31/11/166213111.db2.gz ZVAIOUJSLZOGKT-BDAKNGLRSA-N 0 0 142.242 2.360 10 30 AEEERN C=C[C@@H](C=O)CCCC 39399912 166213116 /nfs/dbraw/zinc/21/31/16/166213116.db2.gz NJBOKMAZBWKBIZ-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@@H](C)c1ccc(O)cc1O 75546071 166213125 /nfs/dbraw/zinc/21/31/25/166213125.db2.gz BILDGVBVTCHYFH-SSDOTTSWSA-N 0 0 164.204 2.387 10 30 AEEERN C=C[C@@H](CC=O)CCC 34075397 166213146 /nfs/dbraw/zinc/21/31/46/166213146.db2.gz VSRXTTWJGFEKNA-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@@H](C)[C@]1(O)CC=CCC1 34454866 166213155 /nfs/dbraw/zinc/21/31/55/166213155.db2.gz HXZSQTINUJKXCK-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccco1 96675304 166213188 /nfs/dbraw/zinc/21/31/88/166213188.db2.gz MTODIDHAMMPDHX-SSDOTTSWSA-N 0 0 166.176 2.011 10 30 AEEERN C=C[C@@H](C)CC(=S)N(C)C 39124537 166213263 /nfs/dbraw/zinc/21/32/63/166213263.db2.gz GWUIHVMKXRIBPU-SSDOTTSWSA-N 0 0 157.282 2.088 10 30 AEEERN C=C[C@@H](C)C[C@H](O)CCC 52144580 166213268 /nfs/dbraw/zinc/21/32/68/166213268.db2.gz ZVAIOUJSLZOGKT-RKDXNWHRSA-N 0 0 142.242 2.360 10 30 AEEERN C=C[C@@H](C)C[C@H](O)C(C)C 52144614 166213277 /nfs/dbraw/zinc/21/32/77/166213277.db2.gz UHAZCWRQDRFZLX-BDAKNGLRSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@@H](C)Sc1ccc(N)nc1 52142529 166213283 /nfs/dbraw/zinc/21/32/83/166213283.db2.gz IJHBRPGBVGVJRV-SSDOTTSWSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@@H](C)Sc1ccncc1N 52142514 166213290 /nfs/dbraw/zinc/21/32/90/166213290.db2.gz BJEDSDZKLRQZCD-SSDOTTSWSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@@H](C)[C@@]1(O)CC=CCC1 34454864 166213291 /nfs/dbraw/zinc/21/32/91/166213291.db2.gz HXZSQTINUJKXCK-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H](C)C[C@@H](O)C(C)C 52144611 166213322 /nfs/dbraw/zinc/21/33/22/166213322.db2.gz UHAZCWRQDRFZLX-RKDXNWHRSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@@H]1CC(=O)c2ccccc2O1 34519064 166214399 /nfs/dbraw/zinc/21/43/99/166214399.db2.gz CMNAPOHRAHBWJW-MRVPVSSYSA-N 0 0 174.199 2.206 10 30 AEEERN C=C[C@@H](O)c1ccc(C)cc1 34566806 166214521 /nfs/dbraw/zinc/21/45/21/166214521.db2.gz FYIVKNAQOIFBQW-SNVBAGLBSA-N 0 0 148.205 2.214 10 30 AEEERN C=C[C@@H]1CCCC[C@]1(O)C=C 104837609 166214584 /nfs/dbraw/zinc/21/45/84/166214584.db2.gz BBFCIPUBASELBS-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H]1CN1c1ccc(OC)cc1 39089900 166214760 /nfs/dbraw/zinc/21/47/60/166214760.db2.gz VGKKATSGPOGPPS-PKEIRNPWSA-N 0 0 175.231 2.070 10 30 AEEERN C=C[C@@H]1CCC(=O)[C@@]1(C)CCC#N 75567910 166214821 /nfs/dbraw/zinc/21/48/21/166214821.db2.gz TWQSJDGVJVQTLJ-KOLCDFICSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@@H]1CCC[C@H]1CC=O 75526228 166214882 /nfs/dbraw/zinc/21/48/82/166214882.db2.gz GEWRLENMUQYENK-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1CC[C@@H](C#N)C1 75520249 166214991 /nfs/dbraw/zinc/21/49/91/166214991.db2.gz HSRRGAOQKODFKE-HTQZYQBOSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@@H]1CCCC[C@H]1C=O 75526564 166214995 /nfs/dbraw/zinc/21/49/95/166214995.db2.gz KXRGCMHBLSLIKJ-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1CCC[C@@H]1CC=O 75526221 166215062 /nfs/dbraw/zinc/21/50/62/166215062.db2.gz GEWRLENMUQYENK-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1CN(c2ccccc2)C(=O)O1 32224490 166215070 /nfs/dbraw/zinc/21/50/70/166215070.db2.gz QPFRIIUKUCXUMQ-SNVBAGLBSA-N 0 0 189.214 2.198 10 30 AEEERN C=C[C@@H]1CCC(=O)N1/C=C\CC 100240263 166215093 /nfs/dbraw/zinc/21/50/93/166215093.db2.gz FTXYEDNDPNONKS-BZJXQOFCSA-N 0 0 165.236 2.087 10 30 AEEERN C=C[C@@H]1CCC(=O)[C@]1(C)CCC#N 75567912 166215158 /nfs/dbraw/zinc/21/51/58/166215158.db2.gz TWQSJDGVJVQTLJ-MWLCHTKSSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@@H]1CC[C@H](C#N)C1 75520237 166215168 /nfs/dbraw/zinc/21/51/68/166215168.db2.gz HSRRGAOQKODFKE-SFYZADRCSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@@H](OC(C)=O)c1cccc(O)c1 28342291 166215172 /nfs/dbraw/zinc/21/51/72/166215172.db2.gz CPPCAULIRTYOQN-LLVKDONJSA-N 0 0 192.214 2.182 10 30 AEEERN C=C[C@@H]1CCCC[C@@H]1C=O 75526549 166215194 /nfs/dbraw/zinc/21/51/94/166215194.db2.gz KXRGCMHBLSLIKJ-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1CC[C@@H]1C=C 83253278 166215198 /nfs/dbraw/zinc/21/51/98/166215198.db2.gz UHHCYAAVGADGGP-OCAPTIKFSA-N 0 0 108.184 2.385 10 30 AEEERN C=C[C@@H](O)CCc1ccccc1 33975204 166215241 /nfs/dbraw/zinc/21/52/41/166215241.db2.gz VMUJXKHHANQVNB-LLVKDONJSA-N 0 0 162.232 2.166 10 30 AEEERN C=C[C@@H]1CC[C@H]1C=C 2038312 166215246 /nfs/dbraw/zinc/21/52/46/166215246.db2.gz UHHCYAAVGADGGP-HTQZYQBOSA-N 0 0 108.184 2.385 10 30 AEEERN C=C[C@@H](O)c1ccc(F)cc1 34465050 166215255 /nfs/dbraw/zinc/21/52/55/166215255.db2.gz MBYIIBJTIKVPGF-SECBINFHSA-N 0 0 152.168 2.045 10 30 AEEERN C=C[C@@H](O)C[C@@]1(C)C=CCC1 39090950 166215265 /nfs/dbraw/zinc/21/52/65/166215265.db2.gz AIOSXAFAFLJIBO-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H]1CCCC(O)=C1C(C)=O 100046698 166215295 /nfs/dbraw/zinc/21/52/95/166215295.db2.gz TXFMUNAEVXUICN-FBHKUJJOSA-N 0 0 166.220 2.374 10 30 AEEERN C=C[C@@H]1CCCC(O)=C1C(C)=O 100221814 166215304 /nfs/dbraw/zinc/21/53/04/166215304.db2.gz TXFMUNAEVXUICN-RYGSOJJJSA-N 0 0 166.220 2.374 10 30 AEEERN C=C[C@@H]1CCC=C1C(C)=O 39068686 166215334 /nfs/dbraw/zinc/21/53/34/166215334.db2.gz SWRJMRTUXAKTRG-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN C=C[C@@H]1CCC[C@]1(C)C=O 75526578 166215341 /nfs/dbraw/zinc/21/53/41/166215341.db2.gz LQFCLACRRXXHJC-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1CCC(=O)N1/C=C/CC 38865071 166215352 /nfs/dbraw/zinc/21/53/52/166215352.db2.gz FTXYEDNDPNONKS-WHXYTISESA-N 0 0 165.236 2.087 10 30 AEEERN C=C[C@@H]1CCCC[C@@]1(O)C=C 104837613 166215366 /nfs/dbraw/zinc/21/53/66/166215366.db2.gz BBFCIPUBASELBS-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H]1CNc2ccccc2N1 39168205 166215373 /nfs/dbraw/zinc/21/53/73/166215373.db2.gz HUYWGGCNJQLCJR-MRVPVSSYSA-N 0 0 160.220 2.079 10 30 AEEERN C=C[C@@H](OC(C)=O)c1ccco1 36448041 166215413 /nfs/dbraw/zinc/21/54/13/166215413.db2.gz SEJBYEKFSVBJOF-MRVPVSSYSA-N 0 0 166.176 2.070 10 30 AEEERN C=C[C@@H](O)C[C@]1(C)C=CCC1 39090949 166215415 /nfs/dbraw/zinc/21/54/15/166215415.db2.gz AIOSXAFAFLJIBO-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H]1CCC[C@@]1(C)C=O 75526582 166215440 /nfs/dbraw/zinc/21/54/40/166215440.db2.gz LQFCLACRRXXHJC-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1CNc2ccccc21 24322576 166215446 /nfs/dbraw/zinc/21/54/46/166215446.db2.gz HJAJENHOSRXMNY-MRVPVSSYSA-N 0 0 145.205 2.382 10 30 AEEERN C=C[C@@H]1C[C@](C)(F)OC(C)=N1 39088728 166215495 /nfs/dbraw/zinc/21/54/95/166215495.db2.gz NUSJYRYGNXAFCA-HTQZYQBOSA-N 0 0 157.188 2.065 10 30 AEEERN C=C[C@@H]1C[C@@](C)(F)OC(C)=N1 39088730 166215576 /nfs/dbraw/zinc/21/55/76/166215576.db2.gz NUSJYRYGNXAFCA-SFYZADRCSA-N 0 0 157.188 2.065 10 30 AEEERN C=C[C@@H]1Nc2cccnc2N[C@@H]1C=C 196449485 166215601 /nfs/dbraw/zinc/21/56/01/166215601.db2.gz YSKUKTUHBISZNF-DTWKUNHWSA-N 0 0 187.246 2.028 10 30 AEEERN C=C[C@@H]1COCc2c(C#N)cccc21 222918313 166215632 /nfs/dbraw/zinc/21/56/32/166215632.db2.gz QPZGYPWXVRVYCC-SECBINFHSA-N 0 0 185.226 2.358 10 30 AEEERN C=C[C@@H]1C[C@@H](C(C)=O)C1(C)C 39069898 166215725 /nfs/dbraw/zinc/21/57/25/166215725.db2.gz SKYLYSZZCCZWHV-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@@H]1C[C@@H]1c1ccncc1 39050529 166215776 /nfs/dbraw/zinc/21/57/76/166215776.db2.gz SXYMSGVQTKLDFC-SCZZXKLOSA-N 0 0 145.205 2.371 10 30 AEEERN C=C[C@@H]1C[C@H]1c1ccncc1 39050533 166216097 /nfs/dbraw/zinc/21/60/97/166216097.db2.gz SXYMSGVQTKLDFC-PSASIEDQSA-N 0 0 145.205 2.371 10 30 AEEERN C=C[C@@H]1CO[C@@H](CCCC)O1 137578470 166216142 /nfs/dbraw/zinc/21/61/42/166216142.db2.gz NEEAENVZSQOMHW-RKDXNWHRSA-N 0 0 156.225 2.104 10 30 AEEERN C=C[C@@H]1Nc2cccnc2N[C@H]1C=C 196449467 166216201 /nfs/dbraw/zinc/21/62/01/166216201.db2.gz YSKUKTUHBISZNF-IUCAKERBSA-N 0 0 187.246 2.028 10 30 AEEERN C=C[C@@H]1CO[C@H](CCCC)O1 137578571 166216212 /nfs/dbraw/zinc/21/62/12/166216212.db2.gz NEEAENVZSQOMHW-BDAKNGLRSA-N 0 0 156.225 2.104 10 30 AEEERN C=C[C@@H]1COCc2c(N)cccc21 146741768 166216409 /nfs/dbraw/zinc/21/64/09/166216409.db2.gz UPSGYVLWLJFFPB-MRVPVSSYSA-N 0 0 175.231 2.069 10 30 AEEERN C=C[C@@H]1Nc2ncccc2N[C@@H]1C=C 196449460 166216463 /nfs/dbraw/zinc/21/64/63/166216463.db2.gz YSKUKTUHBISZNF-BDAKNGLRSA-N 0 0 187.246 2.028 10 30 AEEERN C=C[C@@H]1C[C@H](C(C)=O)C1(C)C 39069899 166216484 /nfs/dbraw/zinc/21/64/84/166216484.db2.gz SKYLYSZZCCZWHV-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@H](C)C[C@H](O)CCC 52144575 166216574 /nfs/dbraw/zinc/21/65/74/166216574.db2.gz ZVAIOUJSLZOGKT-DTWKUNHWSA-N 0 0 142.242 2.360 10 30 AEEERN C=C[C@@]1(O)CCCC[C@H]1C 1670144 166216662 /nfs/dbraw/zinc/21/66/62/166216662.db2.gz SQISRICUGQKXLV-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@H](C)CCC(C)=O 39068208 166216711 /nfs/dbraw/zinc/21/67/11/166216711.db2.gz PGDGAJMRMWVTTA-ZETCQYMHSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@H](C)[N@H+](CCC(=O)[O-])C(C)(C)C 52143602 166216836 /nfs/dbraw/zinc/21/68/36/166216836.db2.gz MDRPHTHURUQHBA-VIFPVBQESA-N 0 0 199.294 2.136 10 30 AEEERN C=C[C@H](C)Sc1ncccc1N 52142517 166216863 /nfs/dbraw/zinc/21/68/63/166216863.db2.gz OMBPUYWDPZGRMQ-ZETCQYMHSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@H](C)CNC(=O)c1ccccc1 39126471 166217049 /nfs/dbraw/zinc/21/70/49/166217049.db2.gz DIMJCDBZEOOQPR-JTQLQIEISA-N 0 0 189.258 2.239 10 30 AEEERN C=C[C@@]1(O)CCc2ccccc21 39214419 166217093 /nfs/dbraw/zinc/21/70/93/166217093.db2.gz BLNMDWQBNDJQHT-LLVKDONJSA-N 0 0 160.216 2.006 10 30 AEEERN C=C[C@H](C)C[C@H](C)C=O 75522168 166217188 /nfs/dbraw/zinc/21/71/88/166217188.db2.gz UPFAZXHPUFNFCG-YUMQZZPRSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@H](C)[C@@H](CC)[C@@H](C)O 52144565 166217192 /nfs/dbraw/zinc/21/71/92/166217192.db2.gz GBWULTGRZJQKKJ-DJLDLDEBSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@H](C)Sc1ccc(N)nc1 52142527 166217276 /nfs/dbraw/zinc/21/72/76/166217276.db2.gz IJHBRPGBVGVJRV-ZETCQYMHSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@H](C(=C)C)[C@@H](C)C=O 75526534 166217406 /nfs/dbraw/zinc/21/74/06/166217406.db2.gz RQSPTETXGGCZCC-DTWKUNHWSA-N 0 0 138.210 2.200 10 30 AEEERN C=C[C@H](C)C[C@@H](O)C(C)C 52144604 166217570 /nfs/dbraw/zinc/21/75/70/166217570.db2.gz UHAZCWRQDRFZLX-DTWKUNHWSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccccc1 32155194 166217667 /nfs/dbraw/zinc/21/76/67/166217667.db2.gz ZNWBXXLWBPWQAT-VIFPVBQESA-N 0 0 176.215 2.418 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccco1 96675303 166217730 /nfs/dbraw/zinc/21/77/30/166217730.db2.gz MTODIDHAMMPDHX-ZETCQYMHSA-N 0 0 166.176 2.011 10 30 AEEERN C=C[C@H](C)Sc1ccncc1N 52142511 166217780 /nfs/dbraw/zinc/21/77/80/166217780.db2.gz BJEDSDZKLRQZCD-ZETCQYMHSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@H](C)Oc1ccc(N)cc1 52144498 166217804 /nfs/dbraw/zinc/21/78/04/166217804.db2.gz FEXZHZCXTNIGLN-QMMMGPOBSA-N 0 0 163.220 2.222 10 30 AEEERN C=C[C@@]1(O)CCCC[C@@H]1C 1670143 166217807 /nfs/dbraw/zinc/21/78/07/166217807.db2.gz SQISRICUGQKXLV-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@H](C)C[C@@H](C)C=O 75522160 166217810 /nfs/dbraw/zinc/21/78/10/166217810.db2.gz UPFAZXHPUFNFCG-JGVFFNPUSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@H](C)[C@@H](F)C(=O)N1CCCCC1 34480794 166217817 /nfs/dbraw/zinc/21/78/17/166217817.db2.gz UESSHCNYURVSGZ-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@@]1(O)CC[C@@H](c2ccc(C)o2)O1 104835078 166217836 /nfs/dbraw/zinc/21/78/36/166217836.db2.gz IAXFUMXKNUVXRQ-QWRGUYRKSA-N 0 0 194.230 2.314 10 30 AEEERN C=C[C@H](C(=C)C)[C@H](C)C=O 75526538 166217855 /nfs/dbraw/zinc/21/78/55/166217855.db2.gz RQSPTETXGGCZCC-RKDXNWHRSA-N 0 0 138.210 2.200 10 30 AEEERN C=C[C@H](C)N(CC)C[C@@H](C)C#N 49572982 166217905 /nfs/dbraw/zinc/21/79/05/166217905.db2.gz UIECPUOVNVMUKQ-UWVGGRQHSA-N 0 0 166.268 2.042 10 30 AEEERN C=C[C@H](C)C[C@H](O)C(C)C 52144607 166217908 /nfs/dbraw/zinc/21/79/08/166217908.db2.gz UHAZCWRQDRFZLX-IUCAKERBSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@H](C)[C@@H](C)C(C)=O 39068204 166217912 /nfs/dbraw/zinc/21/79/12/166217912.db2.gz HXVTYHADXTWQFJ-NKWVEPMBSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@H](C)Oc1cccc(N)c1 52144493 166217913 /nfs/dbraw/zinc/21/79/13/166217913.db2.gz SLULLUFZTJTWJK-QMMMGPOBSA-N 0 0 163.220 2.222 10 30 AEEERN C=C[C@H](C)Oc1ccccc1C=O 52142335 166217942 /nfs/dbraw/zinc/21/79/42/166217942.db2.gz IIIWGMNSRVKOPC-VIFPVBQESA-N 0 0 176.215 2.452 10 30 AEEERN C=C[C@H](C)Nc1ccnc2cccnc12 335908885 166217952 /nfs/dbraw/zinc/21/79/52/166217952.db2.gz GDJHTVGDHMWAGF-VIFPVBQESA-N 0 0 199.257 2.038 10 30 AEEERN C=C[C@H](C)C[C@@H](O)CCC 52144573 166217958 /nfs/dbraw/zinc/21/79/58/166217958.db2.gz ZVAIOUJSLZOGKT-IUCAKERBSA-N 0 0 142.242 2.360 10 30 AEEERN C=C[C@H](C)Sc1ccc(N)cn1 52142522 166218037 /nfs/dbraw/zinc/21/80/37/166218037.db2.gz ZWBCIZDLHARCTO-ZETCQYMHSA-N 0 0 180.276 2.330 10 30 AEEERN C=C[C@H](C)[C@@H]1C=CCC[C@@H]1O 39059383 166218038 /nfs/dbraw/zinc/21/80/38/166218038.db2.gz KACXTYLCXRBIOL-GUBZILKMSA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@H](C)Oc1ccccc1N 39089509 166218076 /nfs/dbraw/zinc/21/80/76/166218076.db2.gz YHPDSSJEATUVJQ-QMMMGPOBSA-N 0 0 163.220 2.222 10 30 AEEERN C=C[C@H](C)[N@@H+](CCCC(=O)[O-])C(C)C 52143592 166218077 /nfs/dbraw/zinc/21/80/77/166218077.db2.gz JDDNKJXAWXORHG-JTQLQIEISA-N 0 0 199.294 2.136 10 30 AEEERN C=C[C@H](C)CC(=S)N(C)C 39124538 166218099 /nfs/dbraw/zinc/21/80/99/166218099.db2.gz GWUIHVMKXRIBPU-ZETCQYMHSA-N 0 0 157.282 2.088 10 30 AEEERN C=C[C@H](C)NC(=O)N1CCCC1(C)C 336173010 166218106 /nfs/dbraw/zinc/21/81/06/166218106.db2.gz PCEFOVKLIUAZNS-VIFPVBQESA-N 0 0 196.294 2.145 10 30 AEEERN C=C[C@@]1(O)CC[C@H](c2ccc(C)o2)O1 104835081 166218114 /nfs/dbraw/zinc/21/81/14/166218114.db2.gz IAXFUMXKNUVXRQ-MNOVXSKESA-N 0 0 194.230 2.314 10 30 AEEERN C=C[C@H](C)c1ccc[nH]1 34224160 166218955 /nfs/dbraw/zinc/21/89/55/166218955.db2.gz ISTLOKLBQBAVRV-ZETCQYMHSA-N 0 0 121.183 2.304 10 30 AEEERN C=C[C@H]1CCC(=O)[C@@]1(C)CCC#N 75567918 166219010 /nfs/dbraw/zinc/21/90/10/166219010.db2.gz TWQSJDGVJVQTLJ-ONGXEEELSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@H](O)CCc1ccccc1 33975203 166219024 /nfs/dbraw/zinc/21/90/24/166219024.db2.gz VMUJXKHHANQVNB-NSHDSACASA-N 0 0 162.232 2.166 10 30 AEEERN C=C[C@H](C)c1ccccn1 39243547 166219030 /nfs/dbraw/zinc/21/90/30/166219030.db2.gz ITCCGXTVFNNOHA-QMMMGPOBSA-N 0 0 133.194 2.371 10 30 AEEERN C=C[C@H](O)[C@H](C)c1ccccc1 34115417 166219210 /nfs/dbraw/zinc/21/92/10/166219210.db2.gz AWMOUJIWJFZMKM-KOLCDFICSA-N 0 0 162.232 2.337 10 30 AEEERN C=C[C@H](C)[C@H](F)C(=O)N1CCCCC1 39075274 166219314 /nfs/dbraw/zinc/21/93/14/166219314.db2.gz UESSHCNYURVSGZ-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@H](C)n1cccc1C=O 34621692 166219429 /nfs/dbraw/zinc/21/94/29/166219429.db2.gz CKFHVJUQIHYLPI-QMMMGPOBSA-N 0 0 149.193 2.048 10 30 AEEERN C=C[C@H]1CC(=O)c2ccccc2O1 34519065 166219433 /nfs/dbraw/zinc/21/94/33/166219433.db2.gz CMNAPOHRAHBWJW-QMMMGPOBSA-N 0 0 174.199 2.206 10 30 AEEERN C=C[C@H](OC(C)=O)c1cccc(O)c1 28342286 166219444 /nfs/dbraw/zinc/21/94/44/166219444.db2.gz CPPCAULIRTYOQN-NSHDSACASA-N 0 0 192.214 2.182 10 30 AEEERN C=C[C@H](OC(C)=O)c1ccco1 36448040 166219659 /nfs/dbraw/zinc/21/96/59/166219659.db2.gz SEJBYEKFSVBJOF-QMMMGPOBSA-N 0 0 166.176 2.070 10 30 AEEERN C=C[C@H](C=O)c1ccccc1 39399925 166219695 /nfs/dbraw/zinc/21/96/95/166219695.db2.gz KOTCAHMHPWDPOG-SECBINFHSA-N 0 0 146.189 2.155 10 30 AEEERN C=C[C@H](O)C[C@@]1(C)C=CCC1 39090952 166219789 /nfs/dbraw/zinc/21/97/89/166219789.db2.gz AIOSXAFAFLJIBO-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](CC=O)CCC 34075396 166219844 /nfs/dbraw/zinc/21/98/44/166219844.db2.gz VSRXTTWJGFEKNA-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@H](C)n1cccc1 39073527 166219868 /nfs/dbraw/zinc/21/98/68/166219868.db2.gz OOPWZGTVIWDJJE-QMMMGPOBSA-N 0 0 121.183 2.235 10 30 AEEERN C=C[C@H](CC)NC(=O)OC(C)(C)C 39094515 166219905 /nfs/dbraw/zinc/21/99/05/166219905.db2.gz DJBIWQJPJSVKGF-MRVPVSSYSA-N 0 0 185.267 2.476 10 30 AEEERN C=C[C@H](C)n1nnc2ccccc21 5368202 166219919 /nfs/dbraw/zinc/21/99/19/166219919.db2.gz CGGJGRSMLCXNLG-QMMMGPOBSA-N 0 0 173.219 2.178 10 30 AEEERN C=C[C@H](C)[C@H]1CCCC[C@@H]1O 52144619 166219941 /nfs/dbraw/zinc/21/99/41/166219941.db2.gz HZLDZDBVLZNKRU-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](O)C[C@]1(C)C=CCC1 39090951 166219954 /nfs/dbraw/zinc/21/99/54/166219954.db2.gz AIOSXAFAFLJIBO-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H]1CCC(=O)N1/C=C\CC 77050331 166219988 /nfs/dbraw/zinc/21/99/88/166219988.db2.gz FTXYEDNDPNONKS-RDOCRHDPSA-N 0 0 165.236 2.087 10 30 AEEERN C=C[C@H](C)c1cccc(N)c1O 39136038 166220020 /nfs/dbraw/zinc/22/00/20/166220020.db2.gz CTSRQUSAWAEENL-ZETCQYMHSA-N 0 0 163.220 2.264 10 30 AEEERN C=C[C@H]1C=C[C@@H](C=C)[C@H]1OC 100092382 166220033 /nfs/dbraw/zinc/22/00/33/166220033.db2.gz QXAGSWMAPQGUQB-ILWJIGKKSA-N 0 0 150.221 2.176 10 30 AEEERN C=C[C@H](C=O)CCCC 39399914 166220036 /nfs/dbraw/zinc/22/00/36/166220036.db2.gz NJBOKMAZBWKBIZ-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@H](C)[C@H](CC)[C@@H](C)O 52144562 166220037 /nfs/dbraw/zinc/22/00/37/166220037.db2.gz GBWULTGRZJQKKJ-YIZRAAEISA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@H](C)[C@@]1(O)CC=CCC1 34454863 166220070 /nfs/dbraw/zinc/22/00/70/166220070.db2.gz HXZSQTINUJKXCK-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](O)[C@@H](C)c1ccccc1 38665484 166220085 /nfs/dbraw/zinc/22/00/85/166220085.db2.gz AWMOUJIWJFZMKM-ONGXEEELSA-N 0 0 162.232 2.337 10 30 AEEERN C=C[C@H](O)c1ccc(C)cc1 34566808 166220096 /nfs/dbraw/zinc/22/00/96/166220096.db2.gz FYIVKNAQOIFBQW-JTQLQIEISA-N 0 0 148.205 2.214 10 30 AEEERN C=C[C@H]1CCC(=O)N1/C=C/CC 67175849 166220104 /nfs/dbraw/zinc/22/01/04/166220104.db2.gz FTXYEDNDPNONKS-QRJSTWQJSA-N 0 0 165.236 2.087 10 30 AEEERN C=C[C@H](C)[C@]1(O)CC=CCC1 34454865 166220115 /nfs/dbraw/zinc/22/01/15/166220115.db2.gz HXZSQTINUJKXCK-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H](C)[C@H]1C=CCC[C@@H]1O 39059385 166220117 /nfs/dbraw/zinc/22/01/17/166220117.db2.gz KACXTYLCXRBIOL-AEJSXWLSSA-N 0 0 152.237 2.136 10 30 AEEERN C=C[C@H](C)c1ccc(O)cc1O 75546069 166220122 /nfs/dbraw/zinc/22/01/22/166220122.db2.gz BILDGVBVTCHYFH-ZETCQYMHSA-N 0 0 164.204 2.387 10 30 AEEERN C=C[C@H](CCCC)OC(C)=O 33506305 166220128 /nfs/dbraw/zinc/22/01/28/166220128.db2.gz SIOVHXRHPCJGFJ-SECBINFHSA-N 0 0 156.225 2.294 10 30 AEEERN C=C[C@H](C)[C@@H]1CCCC[C@@H]1O 52144615 166220139 /nfs/dbraw/zinc/22/01/39/166220139.db2.gz HZLDZDBVLZNKRU-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H]1CCC(=O)[C@]1(C)CCC#N 75567922 166220153 /nfs/dbraw/zinc/22/01/53/166220153.db2.gz TWQSJDGVJVQTLJ-GXSJLCMTSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@H]1C[C@@](C)(F)OC(C)=N1 39088731 166220302 /nfs/dbraw/zinc/22/03/02/166220302.db2.gz NUSJYRYGNXAFCA-YUMQZZPRSA-N 0 0 157.188 2.065 10 30 AEEERN C=C[C@H]1C[C@H]1c1ccncc1 39050535 166220341 /nfs/dbraw/zinc/22/03/41/166220341.db2.gz SXYMSGVQTKLDFC-WCBMZHEXSA-N 0 0 145.205 2.371 10 30 AEEERN C=C[C@H]1CC[C@H](C#N)C1 75520241 166220407 /nfs/dbraw/zinc/22/04/07/166220407.db2.gz HSRRGAOQKODFKE-YUMQZZPRSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@H]1CCCC[C@@]1(O)C=C 104837616 166220445 /nfs/dbraw/zinc/22/04/45/166220445.db2.gz BBFCIPUBASELBS-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H]1CCCC[C@@H]1C=O 75526554 166220526 /nfs/dbraw/zinc/22/05/26/166220526.db2.gz KXRGCMHBLSLIKJ-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1CCC[C@H]1CC=O 38324761 166220529 /nfs/dbraw/zinc/22/05/29/166220529.db2.gz GEWRLENMUQYENK-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1C[C@](C)(F)OC(C)=N1 39088732 166220557 /nfs/dbraw/zinc/22/05/57/166220557.db2.gz NUSJYRYGNXAFCA-JGVFFNPUSA-N 0 0 157.188 2.065 10 30 AEEERN C=C[C@H]1CO[C@H](CCCC)O1 137578393 166220600 /nfs/dbraw/zinc/22/06/00/166220600.db2.gz NEEAENVZSQOMHW-IUCAKERBSA-N 0 0 156.225 2.104 10 30 AEEERN C=C[C@H]1C[C@@H](C(C)=O)C1(C)C 39069896 166220660 /nfs/dbraw/zinc/22/06/60/166220660.db2.gz SKYLYSZZCCZWHV-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@H]1CCCC(O)=C1C(C)=O 100221818 166220769 /nfs/dbraw/zinc/22/07/69/166220769.db2.gz TXFMUNAEVXUICN-VKHJRQFRSA-N 0 0 166.220 2.374 10 30 AEEERN C=C[C@H]1Nc2cccnc2N[C@@H]1C=C 39115274 166220828 /nfs/dbraw/zinc/22/08/28/166220828.db2.gz YSKUKTUHBISZNF-RKDXNWHRSA-N 0 0 187.246 2.028 10 30 AEEERN C=C[C@H]1CC[C@@H]1C=C 2038313 166220884 /nfs/dbraw/zinc/22/08/84/166220884.db2.gz UHHCYAAVGADGGP-YUMQZZPRSA-N 0 0 108.184 2.385 10 30 AEEERN C=C[C@H]1CN1c1ccc(OC)cc1 39089899 166220912 /nfs/dbraw/zinc/22/09/12/166220912.db2.gz VGKKATSGPOGPPS-QHGLUPRGSA-N 0 0 175.231 2.070 10 30 AEEERN C=C[C@H]1CCC[C@@H]1CC=O 75526224 166220917 /nfs/dbraw/zinc/22/09/17/166220917.db2.gz GEWRLENMUQYENK-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1CNc2ccccc21 24322582 166220945 /nfs/dbraw/zinc/22/09/45/166220945.db2.gz HJAJENHOSRXMNY-QMMMGPOBSA-N 0 0 145.205 2.382 10 30 AEEERN C=C[C@H]1CCC=C1C(C)=O 39068685 166220993 /nfs/dbraw/zinc/22/09/93/166220993.db2.gz SWRJMRTUXAKTRG-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C=C[C@H]1CCCC(O)=C1C(C)=O 100046702 166221001 /nfs/dbraw/zinc/22/10/01/166221001.db2.gz TXFMUNAEVXUICN-LRUQUBRESA-N 0 0 166.220 2.374 10 30 AEEERN C=C[C@H]1CO[C@@H](CCCC)O1 137578316 166221006 /nfs/dbraw/zinc/22/10/06/166221006.db2.gz NEEAENVZSQOMHW-DTWKUNHWSA-N 0 0 156.225 2.104 10 30 AEEERN C=C[C@H]1CCCC[C@]1(O)C=C 35260337 166221021 /nfs/dbraw/zinc/22/10/21/166221021.db2.gz BBFCIPUBASELBS-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@H]1C[C@@H]1c1ccncc1 39050531 166221061 /nfs/dbraw/zinc/22/10/61/166221061.db2.gz SXYMSGVQTKLDFC-WPRPVWTQSA-N 0 0 145.205 2.371 10 30 AEEERN C=C[C@H]1CCCC[C@H]1C=O 75526567 166221071 /nfs/dbraw/zinc/22/10/71/166221071.db2.gz KXRGCMHBLSLIKJ-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1COCc2c(N)cccc21 146741566 166221097 /nfs/dbraw/zinc/22/10/97/166221097.db2.gz UPSGYVLWLJFFPB-QMMMGPOBSA-N 0 0 175.231 2.069 10 30 AEEERN C=C[C@H]1CCC[C@@]1(C)C=O 75526574 166221104 /nfs/dbraw/zinc/22/11/04/166221104.db2.gz LQFCLACRRXXHJC-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1COCc2c(C#N)cccc21 222918386 166221122 /nfs/dbraw/zinc/22/11/22/166221122.db2.gz QPZGYPWXVRVYCC-VIFPVBQESA-N 0 0 185.226 2.358 10 30 AEEERN C=C[C@H]1CN(c2ccccc2)C(=O)O1 32224491 166221135 /nfs/dbraw/zinc/22/11/35/166221135.db2.gz QPFRIIUKUCXUMQ-JTQLQIEISA-N 0 0 189.214 2.198 10 30 AEEERN C=C[C@H]1CNc2ccccc2N1 39168206 166221161 /nfs/dbraw/zinc/22/11/61/166221161.db2.gz HUYWGGCNJQLCJR-QMMMGPOBSA-N 0 0 160.220 2.079 10 30 AEEERN C=C[C@H]1CCC[C@]1(C)C=O 75526570 166221183 /nfs/dbraw/zinc/22/11/83/166221183.db2.gz LQFCLACRRXXHJC-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H]1CC[C@@H](C#N)C1 75520255 166221199 /nfs/dbraw/zinc/22/11/99/166221199.db2.gz HSRRGAOQKODFKE-JGVFFNPUSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@H]1C[C@H](C(C)=O)C1(C)C 39069897 166221211 /nfs/dbraw/zinc/22/12/11/166221211.db2.gz SKYLYSZZCCZWHV-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@H]1CC[C@H]2C=CCO[C@H]21 24220800 166221222 /nfs/dbraw/zinc/22/12/22/166221222.db2.gz LREMMKSHXQLYPM-AEJSXWLSSA-N 0 0 150.221 2.154 10 30 AEEERN C=C[C@](C)(O)Cc1ccccc1 34540301 166221632 /nfs/dbraw/zinc/22/16/32/166221632.db2.gz SVUAEXSZNOQUDQ-NSHDSACASA-N 0 0 162.232 2.166 10 30 AEEERN C=C[C@]1(O)CCCC[C@H]1C 1670142 166221663 /nfs/dbraw/zinc/22/16/63/166221663.db2.gz SQISRICUGQKXLV-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@]1(C(C)=O)C[C@@H]2C=C[C@H]1C2 39071301 166221665 /nfs/dbraw/zinc/22/16/65/166221665.db2.gz YJJDZAAOQGQPMN-OUAUKWLOSA-N 0 0 162.232 2.344 10 30 AEEERN C=C[C@]1(O)CCCC[C@@H]1C 1670141 166221801 /nfs/dbraw/zinc/22/18/01/166221801.db2.gz SQISRICUGQKXLV-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@](C)(O)C/C=C/C(=C)C 5158140 166221805 /nfs/dbraw/zinc/22/18/05/166221805.db2.gz ZJIQIJIQBTVTDY-FGEFZZPRSA-N 0 0 152.237 2.446 10 30 in-vitro,metabolite AEEERN C=C[C@](C)(c1ccccc1)[N+](=O)[O-] 196549499 166221881 /nfs/dbraw/zinc/22/18/81/166221881.db2.gz PKCBUKCLRQMKSE-SNVBAGLBSA-N 0 0 177.203 2.365 10 30 AEEERN C=C[C@]1(O)CC[C@H](c2ccc(C)o2)O1 104835086 166221890 /nfs/dbraw/zinc/22/18/90/166221890.db2.gz IAXFUMXKNUVXRQ-GHMZBOCLSA-N 0 0 194.230 2.314 10 30 AEEERN C=C[C@]1(C)CCn2cccc21 140082203 166221901 /nfs/dbraw/zinc/22/19/01/166221901.db2.gz PTOMSWRRWXEJOW-SNVBAGLBSA-N 0 0 147.221 2.336 10 30 AEEERN C=C[C@]1(C(C)=O)C[C@@H]1C(=C)C 39069682 166221913 /nfs/dbraw/zinc/22/19/13/166221913.db2.gz QLMYDDKEEYFXOT-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@]1(C(C)=O)C[C@H]1C(=C)C 39069681 166221939 /nfs/dbraw/zinc/22/19/39/166221939.db2.gz QLMYDDKEEYFXOT-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@]12CC[C@H]([C@@H](OC)C1=O)C2(C)C 43214629 166221953 /nfs/dbraw/zinc/22/19/53/166221953.db2.gz FQOIKNGDFXSSDD-LNLATYFQSA-N 0 0 194.274 2.193 10 30 AEEERN C=C[C@]1(O)CC[C@@H](c2ccc(C)o2)O1 104835083 166221964 /nfs/dbraw/zinc/22/19/64/166221964.db2.gz IAXFUMXKNUVXRQ-WDEREUQCSA-N 0 0 194.230 2.314 10 30 AEEERN C=C[C@]1(C)CC2=C(CCCC2=O)O1 196430157 166221969 /nfs/dbraw/zinc/22/19/69/166221969.db2.gz KRCGZBYIBARDLC-LLVKDONJSA-N 0 0 178.231 2.359 10 30 AEEERN C=C[C@](O)(CC)c1ccccc1 39650936 166221993 /nfs/dbraw/zinc/22/19/93/166221993.db2.gz MQIUVIFOUZGOIW-NSHDSACASA-N 0 0 162.232 2.470 10 30 AEEERN C=C[C@](C)(O)C/C=C\C(=C)C 15120743 166222001 /nfs/dbraw/zinc/22/20/01/166222001.db2.gz ZJIQIJIQBTVTDY-GFVADAIESA-N 0 0 152.237 2.446 10 30 endogenous,in-man AEEERN C=C[C@]1(C)CC[C@@H]1C(C)=O 39068870 166222022 /nfs/dbraw/zinc/22/20/22/166222022.db2.gz NOIXTXNVVHQUTG-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@]1(O)CCc2ccccc21 39214418 166222035 /nfs/dbraw/zinc/22/20/35/166222035.db2.gz BLNMDWQBNDJQHT-NSHDSACASA-N 0 0 160.216 2.006 10 30 AEEERN C=C[C@]1(C)CCC(=O)C(C)(C)O1 32214812 166222070 /nfs/dbraw/zinc/22/20/70/166222070.db2.gz ATQPZCOAQSYTPR-SNVBAGLBSA-N 0 0 168.236 2.089 10 30 in-vitro AEEERN C=C[C@]1(C)CC[C@H]1C(C)=O 39068869 166222158 /nfs/dbraw/zinc/22/21/58/166222158.db2.gz NOIXTXNVVHQUTG-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C=Cc1ccc([C@@H]2CO2)cc1 5158049 166222927 /nfs/dbraw/zinc/22/29/27/166222927.db2.gz DENMIBABNWPFEG-JTQLQIEISA-N 0 0 146.189 2.401 10 30 AEEERN C=Cc1ccc(C#N)c(F)c1 39088290 166223154 /nfs/dbraw/zinc/22/31/54/166223154.db2.gz CDFHUTBMTPIJTK-UHFFFAOYSA-N 0 0 147.152 2.340 10 30 AEEERN C=Cc1ccc(OC[C@H]2CO2)cc1 5158044 166223171 /nfs/dbraw/zinc/22/31/71/166223171.db2.gz AAUXVPAKDMCMMN-NSHDSACASA-N 0 0 176.215 2.107 10 30 AEEERN C=Cc1ccc([C@H]2CO2)cc1 5158050 166223309 /nfs/dbraw/zinc/22/33/09/166223309.db2.gz DENMIBABNWPFEG-SNVBAGLBSA-N 0 0 146.189 2.401 10 30 AEEERN C=Cc1cccc(/C=N\O)c1 100468248 166223311 /nfs/dbraw/zinc/22/33/11/166223311.db2.gz DIHJZLCCPDZBAK-YFHOEESVSA-N 0 0 147.177 2.138 10 30 AEEERN C=Cc1ccc(OC[C@@H]2CO2)cc1 5158042 166223455 /nfs/dbraw/zinc/22/34/55/166223455.db2.gz AAUXVPAKDMCMMN-LLVKDONJSA-N 0 0 176.215 2.107 10 30 AEEERN C=Cn1ccnc1/C=N/c1cccnc1 39117266 166224879 /nfs/dbraw/zinc/22/48/79/166224879.db2.gz IZDJFOLCKKQERX-NTEUORMPSA-N 0 0 198.229 2.129 10 30 AEEERN C=N/C(=C\C=C/C)[C@@H](N)C(F)(F)F 95930083 166226280 /nfs/dbraw/zinc/22/62/80/166226280.db2.gz SPRYUCXRBPDZQM-XYXUCSIASA-N 0 0 192.184 2.037 10 30 AEEERN C=Nc1ccc(OC)cc1 34545774 166226310 /nfs/dbraw/zinc/22/63/10/166226310.db2.gz OVVNNFPNBWAEHO-UHFFFAOYSA-N 0 0 135.166 2.027 10 30 AEEERN C=NC(C)(C)c1ccccn1 39051158 166226329 /nfs/dbraw/zinc/22/63/29/166226329.db2.gz TUMSQXJVLLVPPQ-UHFFFAOYSA-N 0 0 148.209 2.017 10 30 AEEERN C=[NH+]CC1(CC(=O)[O-])CCCCC1 103217778 166226375 /nfs/dbraw/zinc/22/63/75/166226375.db2.gz KCMJTXNYSLKZFM-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN C=Nc1ccc(C(C)=O)cc1 39069720 166226399 /nfs/dbraw/zinc/22/63/99/166226399.db2.gz IYTPWSYYKDPHRD-UHFFFAOYSA-N 0 0 147.177 2.221 10 30 AEEERN C=Cn1ccnc1C=Nc1cccnc1 255980100 166226432 /nfs/dbraw/zinc/22/64/32/166226432.db2.gz IZDJFOLCKKQERX-UHFFFAOYSA-N 0 0 198.229 2.129 10 30 AEEERN C=Nc1ccccc1OC 34407983 166226438 /nfs/dbraw/zinc/22/64/38/166226438.db2.gz ZADUHGPFPOQRJH-UHFFFAOYSA-N 0 0 135.166 2.027 10 30 AEEERN C=N/C(=C\C=C/C)[C@H](N)C(F)(F)F 95930082 166226472 /nfs/dbraw/zinc/22/64/72/166226472.db2.gz SPRYUCXRBPDZQM-GYKOWJNVSA-N 0 0 192.184 2.037 10 30 AEEERN CC#CCC[C@H]1CCCC1=O 39111462 166226865 /nfs/dbraw/zinc/22/68/65/166226865.db2.gz MGOGPRWGJXBXPP-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN CC#CCC[C@@H]1CCCC1=O 39111461 166226902 /nfs/dbraw/zinc/22/69/02/166226902.db2.gz MGOGPRWGJXBXPP-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN CC#CCC[C@@H](O)C(C)(C)C 51666189 166226916 /nfs/dbraw/zinc/22/69/16/166226916.db2.gz SNEMHPPQWJWNPS-SECBINFHSA-N 0 0 154.253 2.197 10 30 AEEERN CC#CCC[C@H](O)C(C)(C)C 51666187 166226962 /nfs/dbraw/zinc/22/69/62/166226962.db2.gz SNEMHPPQWJWNPS-VIFPVBQESA-N 0 0 154.253 2.197 10 30 AEEERN CC#CCO[C@H]1C=CCCC1 39089121 166228095 /nfs/dbraw/zinc/22/80/95/166228095.db2.gz CCUGQEOTEDLMQO-JTQLQIEISA-N 0 0 150.221 2.135 10 30 AEEERN CC#CCO[C@@H]1C=CCCC1 39089122 166228178 /nfs/dbraw/zinc/22/81/78/166228178.db2.gz CCUGQEOTEDLMQO-SNVBAGLBSA-N 0 0 150.221 2.135 10 30 AEEERN CC#CCc1ccccc1C=O 39063184 166228817 /nfs/dbraw/zinc/22/88/17/166228817.db2.gz QEVIDXVHFMUCNV-UHFFFAOYSA-N 0 0 158.200 2.065 10 30 AEEERN CC#CC[C@H](O)Cc1cccc(F)c1 51664812 166228822 /nfs/dbraw/zinc/22/88/22/166228822.db2.gz HGKUVNYJKLMNDM-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN CC#CC[C@H]1CCCCC1=O 32171729 166228825 /nfs/dbraw/zinc/22/88/25/166228825.db2.gz JNULPQQVLJEQMV-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN CC#CC[C@H](O)c1ccc(OC)cc1 51664645 166228832 /nfs/dbraw/zinc/22/88/32/166228832.db2.gz QZFRVUOFXFABFH-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@H]1CCCCC[C@H]1O 51666217 166228839 /nfs/dbraw/zinc/22/88/39/166228839.db2.gz XDUCXSBJFBHVGP-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@H]1Cc2ccccc2[C@@H]1O 51666220 166228857 /nfs/dbraw/zinc/22/88/57/166228857.db2.gz FGIBEBUMFPDFCP-WCQYABFASA-N 0 0 186.254 2.306 10 30 AEEERN CC#CC[C@H]1C[C@@H](C)CCC1=O 51664279 166228878 /nfs/dbraw/zinc/22/88/78/166228878.db2.gz KMRDUUAWJNLXOB-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CC[C@H](O)c1ccc(F)c(F)c1 51664726 166228892 /nfs/dbraw/zinc/22/88/92/166228892.db2.gz ZIPJIWFJBNMEBI-NSHDSACASA-N 0 0 196.196 2.412 10 30 AEEERN CC#CC[C@H]1C[C@@H](C)CC[C@@H]1O 51666247 166228904 /nfs/dbraw/zinc/22/89/04/166228904.db2.gz NDYNXCJGTYLCNQ-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN CC#CC[C@H](O)c1cc(F)cc(F)c1 51664852 166228908 /nfs/dbraw/zinc/22/89/08/166228908.db2.gz DNPISSXVXXMNCH-NSHDSACASA-N 0 0 196.196 2.412 10 30 AEEERN CC#CC[C@H](O)c1cccc(OC)c1 51664657 166228931 /nfs/dbraw/zinc/22/89/31/166228931.db2.gz YRCVQOIXNJNPCT-LBPRGKRZSA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@H](O)c1ccc(F)cc1 51664671 166228943 /nfs/dbraw/zinc/22/89/43/166228943.db2.gz WCUXTXJSKSGKRV-NSHDSACASA-N 0 0 178.206 2.273 10 30 AEEERN CC#CC[C@H]1C[C@H](C)CC[C@@H]1O 51666243 166228946 /nfs/dbraw/zinc/22/89/46/166228946.db2.gz NDYNXCJGTYLCNQ-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN CC#CC[C@H]1C[C@H](C)CCC1=O 51664275 166228963 /nfs/dbraw/zinc/22/89/63/166228963.db2.gz KMRDUUAWJNLXOB-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CC[C@H](NOC)c1ccccc1 95725554 166228966 /nfs/dbraw/zinc/22/89/66/166228966.db2.gz IEPTZZOKDQSMAM-LBPRGKRZSA-N 0 0 189.258 2.292 10 30 AEEERN CC#CC[C@H](O)C1CCCCC1 51664779 166228968 /nfs/dbraw/zinc/22/89/68/166228968.db2.gz UTVGCGWJIRKLMH-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@H](O)c1cccs1 51664682 166228969 /nfs/dbraw/zinc/22/89/69/166228969.db2.gz SJFHPMUNQXRJKW-QMMMGPOBSA-N 0 0 166.245 2.195 10 30 AEEERN CC#CC[C@H](O)c1cccc(C)c1 51664772 166228970 /nfs/dbraw/zinc/22/89/70/166228970.db2.gz OHNGOKXXCZSWRF-LBPRGKRZSA-N 0 0 174.243 2.442 10 30 AEEERN CC#CC[C@H](O)c1ccc(C)cc1 51664694 166228973 /nfs/dbraw/zinc/22/89/73/166228973.db2.gz ZRCNAEZRPFFDNO-LBPRGKRZSA-N 0 0 174.243 2.442 10 30 AEEERN CC#CC[C@H]1CCCCC[C@@H]1O 51666213 166228974 /nfs/dbraw/zinc/22/89/74/166228974.db2.gz XDUCXSBJFBHVGP-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@H](O)CCc1ccccc1 51664827 166228979 /nfs/dbraw/zinc/22/89/79/166228979.db2.gz YUVSQQQJEGOZIB-ZDUSSCGKSA-N 0 0 188.270 2.394 10 30 AEEERN CC#CC[C@H](O)c1ccsc1 51664722 166228987 /nfs/dbraw/zinc/22/89/87/166228987.db2.gz YUKRNBIOUADNGA-VIFPVBQESA-N 0 0 166.245 2.195 10 30 AEEERN CC#CC[C@H](O)Cc1ccc(F)cc1 51664744 166228988 /nfs/dbraw/zinc/22/89/88/166228988.db2.gz YNKAXVTZLJWKFK-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN CC#CC[C@H](O)c1ccccc1C 51664768 166228990 /nfs/dbraw/zinc/22/89/90/166228990.db2.gz UJSTYGVOVKEUSS-LBPRGKRZSA-N 0 0 174.243 2.442 10 30 AEEERN CC#CC[C@H](O)CCC(C)C 51664848 166228996 /nfs/dbraw/zinc/22/89/96/166228996.db2.gz IUNLCLPPIJYRNR-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN CC#CC[C@H](O)Cc1ccc(C)cc1 51752723 166229003 /nfs/dbraw/zinc/22/90/03/166229003.db2.gz JNNUVESBQLQUNY-ZDUSSCGKSA-N 0 0 188.270 2.312 10 30 AEEERN CC#CC[C@H]1Cc2ccccc2C1=O 51664261 166229004 /nfs/dbraw/zinc/22/90/04/166229004.db2.gz PIUQMIFHOAQPHO-NSHDSACASA-N 0 0 184.238 2.455 10 30 AEEERN CC#CC[C@H](O)Cc1cccc(C)c1 51664865 166229023 /nfs/dbraw/zinc/22/90/23/166229023.db2.gz VQISNYKGLFNVEB-ZDUSSCGKSA-N 0 0 188.270 2.312 10 30 AEEERN CC#CC[C@H](O)Cc1ccccc1 51664704 166229024 /nfs/dbraw/zinc/22/90/24/166229024.db2.gz CMVXAIBJYBZGTB-LBPRGKRZSA-N 0 0 174.243 2.003 10 30 AEEERN CC#CC[C@H]1Cc2ccccc2[C@H]1O 51666224 166229027 /nfs/dbraw/zinc/22/90/27/166229027.db2.gz FGIBEBUMFPDFCP-AAEUAGOBSA-N 0 0 186.254 2.306 10 30 AEEERN CC#CC[C@H](O)c1ccccc1 38665438 166229032 /nfs/dbraw/zinc/22/90/32/166229032.db2.gz ICTFKUCLZIQZEY-NSHDSACASA-N 0 0 160.216 2.133 10 30 AEEERN CC#CC[C@H](O)c1cccc(F)c1 51664675 166229033 /nfs/dbraw/zinc/22/90/33/166229033.db2.gz KHNGTTVAKQZSSC-NSHDSACASA-N 0 0 178.206 2.273 10 30 AEEERN CC#CC[C@H](O)Cc1ccccc1F 51664841 166229034 /nfs/dbraw/zinc/22/90/34/166229034.db2.gz HJRCNCZLSJSDRS-NSHDSACASA-N 0 0 192.233 2.143 10 30 AEEERN CC#CC[C@H](O)Cc1ccccc1C 51664859 166229047 /nfs/dbraw/zinc/22/90/47/166229047.db2.gz XJPJTVLISRXIIV-ZDUSSCGKSA-N 0 0 188.270 2.312 10 30 AEEERN CC#CC[C@H](O)c1ccccc1OC 51664649 166229048 /nfs/dbraw/zinc/22/90/48/166229048.db2.gz NLYOPKPVYOMXKP-NSHDSACASA-N 0 0 190.242 2.142 10 30 AEEERN CC(=NO)c1cn(C)c2ccccc12 252461449 166229831 /nfs/dbraw/zinc/22/98/31/166229831.db2.gz MNHXYEZCPRBAFD-UHFFFAOYSA-N 0 0 188.230 2.377 10 30 AEEERN CC(O)=C(C)C(=O)C(C)C 100219140 166229908 /nfs/dbraw/zinc/22/99/08/166229908.db2.gz WNLVVBZKCFPQQN-SOFGYWHQSA-N 0 0 142.198 2.063 10 30 AEEERN CC(=O)/C(=C/N(C)C)c1ccsc1 90501606 166230379 /nfs/dbraw/zinc/23/03/79/166230379.db2.gz VMWJKESQKCHSIS-POHAHGRESA-N 0 0 195.287 2.240 10 30 AEEERN CC(=NO)c1oc2ccccc2c1N 256013053 166230477 /nfs/dbraw/zinc/23/04/77/166230477.db2.gz YFSNLZRWEAITTH-UHFFFAOYSA-N 0 0 190.202 2.213 10 30 AEEERN CC(=O)/C(=C/N(C)C)c1ccccc1 1403006 166230976 /nfs/dbraw/zinc/23/09/76/166230976.db2.gz JMXVESGATWXZOJ-XFXZXTDPSA-N 0 0 189.258 2.178 10 30 AEEERN CC(O)=C(C=O)c1ccccc1 105722644 166231234 /nfs/dbraw/zinc/23/12/34/166231234.db2.gz IEKCKXIUVQTQTF-JXMROGBWSA-N 0 0 162.188 2.175 10 30 in-vitro AEEERN CC(=NO)c1cnc2sccc2c1 255963517 166231424 /nfs/dbraw/zinc/23/14/24/166231424.db2.gz AXFOQLNYKPITQM-UHFFFAOYSA-N 0 0 192.243 2.495 10 30 AEEERN CC(=NO)c1cc(C)oc1C 242722856 166231861 /nfs/dbraw/zinc/23/18/61/166231861.db2.gz XXDVCOUNHMBQLZ-UHFFFAOYSA-N 0 0 153.181 2.095 10 30 AEEERN CC(=O)/C(C)=C/c1csc(C)n1 90412040 166232171 /nfs/dbraw/zinc/23/21/71/166232171.db2.gz UTCIZANXNOHRHG-GQCTYLIASA-N 0 0 181.260 2.444 10 30 AEEERN CC(=O)C=C(C)Nc1ccc(O)cc1 108854847 166232345 /nfs/dbraw/zinc/23/23/45/166232345.db2.gz IRWSVANKBJNHLM-FPLPWBNLSA-N 0 0 191.230 2.297 10 30 AEEERN CC(=O)/C(C)=C/c1ccc[nH]1 37624293 166232409 /nfs/dbraw/zinc/23/24/09/166232409.db2.gz SKLREDZKHHZPON-VOTSOKGWSA-N 0 0 149.193 2.007 10 30 AEEERN CC(=O)/C=C(/C)C(F)(F)F 96308563 166232430 /nfs/dbraw/zinc/23/24/30/166232430.db2.gz LQBGJMZJGMUJEZ-ARJAWSKDSA-N 0 0 152.115 2.084 10 30 AEEERN CC(=O)/C=C\c1cc(C)[nH]c1C 33898089 166233467 /nfs/dbraw/zinc/23/34/67/166233467.db2.gz AMHOEZHHKQIXHO-PLNGDYQASA-N 0 0 163.220 2.234 10 30 AEEERN CC(=O)/C=C\C1CCCC1 100218570 166233557 /nfs/dbraw/zinc/23/35/57/166233557.db2.gz FXCGNHKOGUWOTG-SREVYHEPSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/N=C/c1ccccc1Cl 138154532 166233654 /nfs/dbraw/zinc/23/36/54/166233654.db2.gz YDDWLCYHAZGBIQ-IZZDOVSWSA-N 0 0 181.622 2.305 10 30 AEEERN CC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 17325711 166233715 /nfs/dbraw/zinc/23/37/15/166233715.db2.gz KMCRQJMZUHNLKJ-IHWYPQMZSA-N 0 0 191.186 2.197 10 30 AEEERN CC(=O)/N=C\c1ccccc1Cl 36472884 166233829 /nfs/dbraw/zinc/23/38/29/166233829.db2.gz YDDWLCYHAZGBIQ-WDZFZDKYSA-N 0 0 181.622 2.305 10 30 AEEERN CC(=O)/C=C\c1ccc(C)o1 34781460 166233995 /nfs/dbraw/zinc/23/39/95/166233995.db2.gz FKNBELIGEMXLJS-HYXAFXHYSA-N 0 0 150.177 2.190 10 30 AEEERN CC(=O)/C=C\n1cnc2ccccc21 95923420 166234001 /nfs/dbraw/zinc/23/40/01/166234001.db2.gz HGQDFTYCBXMKMH-SREVYHEPSA-N 0 0 186.214 2.096 10 30 AEEERN CC(=O)C1=C(C)C(C)(C)C1 39068866 166234738 /nfs/dbraw/zinc/23/47/38/166234738.db2.gz ALYPCDCBCMRXHF-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)C1=C(C)O[C@@H]2CCC[C@@H]12 39071941 166235304 /nfs/dbraw/zinc/23/53/04/166235304.db2.gz AQRDICNRXJDESM-RKDXNWHRSA-N 0 0 166.220 2.048 10 30 AEEERN CC(=O)C1=C(C)O[C@@H]2CCC[C@H]12 39071943 166235341 /nfs/dbraw/zinc/23/53/41/166235341.db2.gz AQRDICNRXJDESM-DTWKUNHWSA-N 0 0 166.220 2.048 10 30 AEEERN CC(=O)C1=C(C)O[C@@H](C(C)C)C1 39072301 166235594 /nfs/dbraw/zinc/23/55/94/166235594.db2.gz BDMJLEGGYDPFQO-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN CC(=O)C1=C(C)O[C@H]2CCC[C@@H]12 39071937 166235607 /nfs/dbraw/zinc/23/56/07/166235607.db2.gz AQRDICNRXJDESM-BDAKNGLRSA-N 0 0 166.220 2.048 10 30 AEEERN CC(=O)C(Cl)=C(Cl)Cl 5159324 166235647 /nfs/dbraw/zinc/23/56/47/166235647.db2.gz YIQIQDJXRIRNTD-UHFFFAOYSA-N 0 0 173.426 2.461 10 30 AEEERN CC(=O)C1(CC=O)CCCCC1 75556571 166235648 /nfs/dbraw/zinc/23/56/48/166235648.db2.gz WKGNPDPUUOAZLP-UHFFFAOYSA-N 0 0 168.236 2.115 10 30 AEEERN CC(=O)C1=C(C)O[C@H](C(C)C)C1 39072303 166235672 /nfs/dbraw/zinc/23/56/72/166235672.db2.gz BDMJLEGGYDPFQO-JTQLQIEISA-N 0 0 168.236 2.294 10 30 AEEERN CC(=O)C1=C(C)O[C@H]2CCC[C@H]12 39071939 166235793 /nfs/dbraw/zinc/23/57/93/166235793.db2.gz AQRDICNRXJDESM-IUCAKERBSA-N 0 0 166.220 2.048 10 30 AEEERN C=C1Oc2ccccc2OC1C(C)=O 75259977 166235802 /nfs/dbraw/zinc/23/58/02/166235802.db2.gz CMHPVTDHZRQCAR-UHFFFAOYSA-N 0 0 190.198 2.278 10 30 AEEERN CC(=O)C1=C2CCCN2C=C[C@H]1C 238470380 166236691 /nfs/dbraw/zinc/23/66/91/166236691.db2.gz BSCWBGVMVPFWPA-MRVPVSSYSA-N 0 0 177.247 2.089 10 30 AEEERN CC(=O)C1=C[C@@]2(C)CCC[C@H]12 39069710 166236720 /nfs/dbraw/zinc/23/67/20/166236720.db2.gz CVDDASYLWFERNO-NXEZZACHSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CC[C@@H](C)[C@H]1C 39068827 166236723 /nfs/dbraw/zinc/23/67/23/166236723.db2.gz SCDKYMPLPGPKNS-RNFRBKRXSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)C1=CCC(C)(C)C1 100286465 166236753 /nfs/dbraw/zinc/23/67/53/166236753.db2.gz VAEIZUHZKHVMHQ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)C=C=Cc1ccco1 39049715 166236765 /nfs/dbraw/zinc/23/67/65/166236765.db2.gz NZZKDTUUJDXNTJ-UHFFFAOYSA-N 0 0 148.161 2.037 10 30 AEEERN CC(=O)C1=C2CCCC[C@H]2C1 39069663 166236789 /nfs/dbraw/zinc/23/67/89/166236789.db2.gz RNXPFYQAPKWTER-QMMMGPOBSA-N 0 0 150.221 2.466 10 30 AEEERN CC(=O)C1=C2CCCC[C@@H]2C1 39069662 166236825 /nfs/dbraw/zinc/23/68/25/166236825.db2.gz RNXPFYQAPKWTER-MRVPVSSYSA-N 0 0 150.221 2.466 10 30 AEEERN CC(=O)C1=CSCCCC1 39070229 166236841 /nfs/dbraw/zinc/23/68/41/166236841.db2.gz CTXQIXYLRMHXNM-UHFFFAOYSA-N 0 0 156.250 2.376 10 30 AEEERN CC(=O)C1=C(O)C2CCC1CC2 100050320 166236863 /nfs/dbraw/zinc/23/68/63/166236863.db2.gz KLZRZFUMAQUSQR-UHFFFAOYSA-N 0 0 166.220 2.208 10 30 AEEERN CC(=O)C1=CC[C@H](C)[C@@H]1C 39068830 166236865 /nfs/dbraw/zinc/23/68/65/166236865.db2.gz SCDKYMPLPGPKNS-BQBZGAKWSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)C1=C[C@@H]2CCC[C@@]12C 39069717 166236875 /nfs/dbraw/zinc/23/68/75/166236875.db2.gz JGEIZSXZFRZJBC-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CCCC[C@H]1C 39068825 166236876 /nfs/dbraw/zinc/23/68/76/166236876.db2.gz IOSIUOQFBVPZPC-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)C1=C[C@@]2(C)CCC[C@@H]12 39069712 166236880 /nfs/dbraw/zinc/23/68/80/166236880.db2.gz CVDDASYLWFERNO-VHSXEESVSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CC=CC=CC1 38292364 166236881 /nfs/dbraw/zinc/23/68/81/166236881.db2.gz OLJLUZVUGJTBOP-UHFFFAOYSA-N 0 0 134.178 2.018 10 30 AEEERN CC(=O)C1=CC(C)(C)C=CC1=[NH2+] 39071385 166236905 /nfs/dbraw/zinc/23/69/05/166236905.db2.gz ZSJLPOVQIGBEAG-UHFFFAOYSA-N 0 0 163.220 2.118 10 30 AEEERN CC(=O)C1=C[C@@H]2CCC[C@]12C 39069715 166236907 /nfs/dbraw/zinc/23/69/07/166236907.db2.gz JGEIZSXZFRZJBC-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CC=C[C@@H](C)C1 39068740 166236911 /nfs/dbraw/zinc/23/69/11/166236911.db2.gz SHUDBSDSUXMTPG-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN CC(=O)C=C(C1CC1)C1CC1 39381730 166236913 /nfs/dbraw/zinc/23/69/13/166236913.db2.gz FKGCYVDVAOJNLO-UHFFFAOYSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CC[C@@H](C)[C@@H]1C 39068829 166236914 /nfs/dbraw/zinc/23/69/14/166236914.db2.gz SCDKYMPLPGPKNS-RQJHMYQMSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)C1=C[C@H]2CCC[C@]12C 39069714 166236949 /nfs/dbraw/zinc/23/69/49/166236949.db2.gz JGEIZSXZFRZJBC-SCZZXKLOSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=C[C@H]2CCCC[C@H]12 39069707 166236970 /nfs/dbraw/zinc/23/69/70/166236970.db2.gz DHMBFRHGXHLTGE-BDAKNGLRSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=C[C@@H]2[C@H](C1)C2(C)C 39069690 166236977 /nfs/dbraw/zinc/23/69/77/166236977.db2.gz XCQUXCRWYHWLSA-BDAKNGLRSA-N 0 0 150.221 2.178 10 30 AEEERN CC(=O)C1=C[C@@H]2CCCC[C@@H]12 39069709 166237016 /nfs/dbraw/zinc/23/70/16/166237016.db2.gz DHMBFRHGXHLTGE-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CC[C@@H]2C=CC[C@@H]2C1 39071297 166237033 /nfs/dbraw/zinc/23/70/33/166237033.db2.gz HPNYRWXBUHDLFO-GXSJLCMTSA-N 0 0 162.232 2.488 10 30 AEEERN CC(=O)C1=C2CCCN2C=C[C@@H]1C 238473586 166237045 /nfs/dbraw/zinc/23/70/45/166237045.db2.gz BSCWBGVMVPFWPA-QMMMGPOBSA-N 0 0 177.247 2.089 10 30 AEEERN CC(=O)C1=Cc2c(F)cccc2OC1 75926917 166237046 /nfs/dbraw/zinc/23/70/46/166237046.db2.gz DGDARUUJHFBHMW-UHFFFAOYSA-N 0 0 192.189 2.191 10 30 AEEERN CC(=O)C1=C[C@]2(C)CCC[C@@H]12 39069713 166237076 /nfs/dbraw/zinc/23/70/76/166237076.db2.gz CVDDASYLWFERNO-UWVGGRQHSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=C(O)[C@H]2CC[C@@H](C1)C2 100221804 166237091 /nfs/dbraw/zinc/23/70/91/166237091.db2.gz CZMUFNWLJVNIIG-SFYZADRCSA-N 0 0 166.220 2.208 10 30 AEEERN CC(=O)C1=CC[C@H](C)[C@H]1C 39068828 166237115 /nfs/dbraw/zinc/23/71/15/166237115.db2.gz SCDKYMPLPGPKNS-NKWVEPMBSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)C1=C[C@@H]2CCCC[C@H]12 100219982 166237118 /nfs/dbraw/zinc/23/71/18/166237118.db2.gz DHMBFRHGXHLTGE-IUCAKERBSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=C[C@]2(C)CCC[C@H]12 39069711 166237123 /nfs/dbraw/zinc/23/71/23/166237123.db2.gz CVDDASYLWFERNO-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=C[C@H]2CCC[C@@]12C 39069716 166237168 /nfs/dbraw/zinc/23/71/68/166237168.db2.gz JGEIZSXZFRZJBC-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=C[C@H]2CC[C@@H](C1)C2 39069647 166237173 /nfs/dbraw/zinc/23/71/73/166237173.db2.gz XRKFTIGOSZJAJQ-DTWKUNHWSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C1=CC=C[C@H](C)C1 39068739 166237178 /nfs/dbraw/zinc/23/71/78/166237178.db2.gz SHUDBSDSUXMTPG-ZETCQYMHSA-N 0 0 136.194 2.098 10 30 AEEERN CC(=O)C1=CCC[C@H]2C=C[C@@H]1C2 39071187 166237205 /nfs/dbraw/zinc/23/72/05/166237205.db2.gz LJBSBLFQOZZKFX-VHSXEESVSA-N 0 0 162.232 2.488 10 30 AEEERN CC(=O)C1=C[C@H]2CCCC[C@@H]12 39069708 166237218 /nfs/dbraw/zinc/23/72/18/166237218.db2.gz DHMBFRHGXHLTGE-RKDXNWHRSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)C=C1C=C(C)OC(C)=C1 169644257 166237220 /nfs/dbraw/zinc/23/72/20/166237220.db2.gz QTYQYLNRQRCGBU-UHFFFAOYSA-N 0 0 164.204 2.340 10 30 AEEERN CC(=O)C1=CC=C(C)CC1 96328425 166237240 /nfs/dbraw/zinc/23/72/40/166237240.db2.gz DAQHQPFFHUIASX-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC(=O)C1=CCCC[C@@H]1C 39068826 166237264 /nfs/dbraw/zinc/23/72/64/166237264.db2.gz IOSIUOQFBVPZPC-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)C1=CCCCCCC1=O 39071924 166237322 /nfs/dbraw/zinc/23/73/22/166237322.db2.gz DDHODIXDZFREHT-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CC(=O)CC(C)=Nc1cccnc1 256006960 166239277 /nfs/dbraw/zinc/23/92/77/166239277.db2.gz VMLLMDKTQIEPQC-UHFFFAOYSA-N 0 0 176.219 2.153 10 30 AEEERN CC(=O)CC1(C#N)CCCCC1 39310777 166240779 /nfs/dbraw/zinc/24/07/79/166240779.db2.gz NEBLICWUTSVUJX-UHFFFAOYSA-N 0 0 165.236 2.440 10 30 AEEERN CC(=O)CC1(C=O)CCCCC1 34143960 166240851 /nfs/dbraw/zinc/24/08/51/166240851.db2.gz SCVPGQKUCPWPRD-UHFFFAOYSA-N 0 0 168.236 2.115 10 30 AEEERN CC(=O)CCc1ccc(C#N)cc1 34455009 166245361 /nfs/dbraw/zinc/24/53/61/166245361.db2.gz TYLSWJNMFKXNDW-UHFFFAOYSA-N 0 0 173.215 2.080 10 30 AEEERN CC(=O)C[C@]1(C=O)CC2CCC1CC2 75596938 166246730 /nfs/dbraw/zinc/24/67/30/166246730.db2.gz KZNZNLJNKLXSOO-HTAVTVPLSA-N 0 0 194.274 2.361 10 30 AEEERN CC(=O)N(O)Cc1ccccc1Cl 82912230 166255356 /nfs/dbraw/zinc/25/53/56/166255356.db2.gz BEFAMCROQMIITH-UHFFFAOYSA-N 0 0 199.637 2.078 10 30 AEEERN CC(=O)NC1(C#N)CCCCCCC1 5480933 166268518 /nfs/dbraw/zinc/26/85/18/166268518.db2.gz STUQZTUNWDEJAL-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN CC(=O)Nc1ccc(CCC#N)cc1 211786384 166284017 /nfs/dbraw/zinc/28/40/17/166284017.db2.gz MPXWEXSQNADUEJ-UHFFFAOYSA-N 0 0 188.230 2.101 10 30 AEEERN CC(=O)Nc1ccc([C@H](C)C#N)cc1 75578664 166284055 /nfs/dbraw/zinc/28/40/55/166284055.db2.gz ROQNRAHSLXIIER-MRVPVSSYSA-N 0 0 188.230 2.272 10 30 AEEERN CC(=O)Nc1ccc([C@@H](C)C#N)cc1 75578663 166284071 /nfs/dbraw/zinc/28/40/71/166284071.db2.gz ROQNRAHSLXIIER-QMMMGPOBSA-N 0 0 188.230 2.272 10 30 AEEERN CC(=O)O/N=C/[C@@]12CCC[C@@H]1C2(C)C 39112508 166287615 /nfs/dbraw/zinc/28/76/15/166287615.db2.gz QPOLKKJEKAHPJP-MINMQVLGSA-N 0 0 195.262 2.362 10 30 AEEERN CC(=O)O/N=C/[C@]12CCC[C@H]1C2(C)C 39112509 166287649 /nfs/dbraw/zinc/28/76/49/166287649.db2.gz QPOLKKJEKAHPJP-HYRKWEANSA-N 0 0 195.262 2.362 10 30 AEEERN CC(=O)ONc1ccc(C)c(C)c1 39294880 166289150 /nfs/dbraw/zinc/28/91/50/166289150.db2.gz QRHYBJNJJYWFFA-UHFFFAOYSA-N 0 0 179.219 2.193 10 30 AEEERN CC(=O)O[C@H](C#N)C1CCCCC1 77268875 166289785 /nfs/dbraw/zinc/28/97/85/166289785.db2.gz DQLIFIWZFUGIAV-SNVBAGLBSA-N 0 0 181.235 2.022 10 30 AEEERN CC(=O)O[C@H](C#N)c1ccc(C)cc1 34115899 166290950 /nfs/dbraw/zinc/29/09/50/166290950.db2.gz YDVIXHFUKJCHAV-LLVKDONJSA-N 0 0 189.214 2.123 10 30 AEEERN CC(=O)O[C@H](C#N)c1ccccc1C 77274424 166291037 /nfs/dbraw/zinc/29/10/37/166291037.db2.gz WQONRTRMGGOFCF-LLVKDONJSA-N 0 0 189.214 2.123 10 30 AEEERN CC(=O)O[C@H](C#N)c1cccc(C)c1 39254969 166291388 /nfs/dbraw/zinc/29/13/88/166291388.db2.gz IHLJZFODMZTEOE-LLVKDONJSA-N 0 0 189.214 2.123 10 30 AEEERN CC(=O)[C@@H](C#N)c1cc(F)cc(F)c1 44388043 166294355 /nfs/dbraw/zinc/29/43/55/166294355.db2.gz ATHNLKJJNUZQHE-SNVBAGLBSA-N 0 0 195.168 2.161 10 30 AEEERN CC(=O)[C@@H](C#N)c1cc(C)ccc1C 49806171 166295005 /nfs/dbraw/zinc/29/50/05/166295005.db2.gz QWKIWJMFIRUHKY-GFCCVEGCSA-N 0 0 187.242 2.500 10 30 AEEERN CC(=O)[C@@H](C#N)c1ccc(C)cc1C 34571026 166296542 /nfs/dbraw/zinc/29/65/42/166296542.db2.gz PUSVNBDKPAFNMX-GFCCVEGCSA-N 0 0 187.242 2.500 10 30 AEEERN CC(O)=C(C=O)c1ccccc1Cl 106349725 166298423 /nfs/dbraw/zinc/29/84/23/166298423.db2.gz DVUAZVQGPBWNGS-SECBINFHSA-N 0 0 196.633 2.212 10 30 AEEERN CC(=O)[C@@H](CC(C)C)[C@]1(C)CO1 196602172 166299162 /nfs/dbraw/zinc/29/91/62/166299162.db2.gz JLIZHJAJKBKCAC-ZJUUUORDSA-N 0 0 170.252 2.027 10 30 AEEERN CC(O)=C(C=O)c1ccc(Cl)cc1 106349731 166299628 /nfs/dbraw/zinc/29/96/28/166299628.db2.gz DGMBDYTVHFFHRD-SNVBAGLBSA-N 0 0 196.633 2.212 10 30 AEEERN CC(=O)[C@@H](CC(C)C)[C@@]1(C)CO1 196602198 166299824 /nfs/dbraw/zinc/29/98/24/166299824.db2.gz JLIZHJAJKBKCAC-NXEZZACHSA-N 0 0 170.252 2.027 10 30 AEEERN CC(=O)[C@@H](S)Nc1ccc(C)cc1 104477916 166300207 /nfs/dbraw/zinc/30/02/07/166300207.db2.gz NNQWOESSDBBHAA-SNVBAGLBSA-N 0 0 195.287 2.252 10 30 AEEERN CC(=O)[C@@H]1CCCCC[C@H]1C#N 39071693 166300435 /nfs/dbraw/zinc/30/04/35/166300435.db2.gz SPCQPYROZAXMCT-UWVGGRQHSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@@H]1CCCC[C@H]1CC#N 39071819 166300514 /nfs/dbraw/zinc/30/05/14/166300514.db2.gz RVCMUQJBUYPEDD-UWVGGRQHSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@@H](S)c1ccccc1 39375038 166300599 /nfs/dbraw/zinc/30/05/99/166300599.db2.gz NJECUOJMXHTVGE-SECBINFHSA-N 0 0 166.245 2.247 10 30 AEEERN CC(=O)[C@@H]1CCC=C[C@H]1CC#N 75545755 166300748 /nfs/dbraw/zinc/30/07/48/166300748.db2.gz RRPCUFXFMHDVRP-UWVGGRQHSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@@H]1CCCC[C@]1(C)C#N 39071843 166300799 /nfs/dbraw/zinc/30/07/99/166300799.db2.gz PITMLZGSFHGFRF-VHSXEESVSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@@H]1C[C@@H](CC#N)C1(C)C 248480 166300804 /nfs/dbraw/zinc/30/08/04/166300804.db2.gz VILTYDDIGXXGBZ-BDAKNGLRSA-N 0 0 165.236 2.151 10 30 AEEERN CC(=O)[C@@H]1CCC=C[C@@H]1CC#N 75545753 166300968 /nfs/dbraw/zinc/30/09/68/166300968.db2.gz RRPCUFXFMHDVRP-ZJUUUORDSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@@H]1CCCC[C@@]1(C)C#N 39071839 166301384 /nfs/dbraw/zinc/30/13/84/166301384.db2.gz PITMLZGSFHGFRF-UWVGGRQHSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1 34973025 166301938 /nfs/dbraw/zinc/30/19/38/166301938.db2.gz XOIKMJAYMMQHKS-NWDGAFQWSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@@H]1CCCCC[C@@H]1C#N 39071690 166302511 /nfs/dbraw/zinc/30/25/11/166302511.db2.gz SPCQPYROZAXMCT-ZJUUUORDSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1C[C@H]1CNc1ccnc(C#N)c1 133556827 343922321 /nfs/dbraw/zinc/92/23/21/343922321.db2.gz OOOFVNFOGRDQBX-BDAKNGLRSA-N 0 0 187.246 2.021 10 30 AEEERN CC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 34973065 166304048 /nfs/dbraw/zinc/30/40/48/166304048.db2.gz NPLUFLUYZMVVGJ-RYUDHWBXSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@@](C)(C#N)c1ccccc1 34226854 166304152 /nfs/dbraw/zinc/30/41/52/166304152.db2.gz FHXWSQWJGZUSLW-LLVKDONJSA-N 0 0 173.215 2.057 10 30 AEEERN CC(=O)[C@@](C)(C#N)CC(C)C 18679910 166304530 /nfs/dbraw/zinc/30/45/30/166304530.db2.gz MSDDJYKZXSEMCG-SECBINFHSA-N 0 0 153.225 2.151 10 30 AEEERN CC(=O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 34973061 166304599 /nfs/dbraw/zinc/30/45/99/166304599.db2.gz NPLUFLUYZMVVGJ-NWDGAFQWSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1 34973029 166304653 /nfs/dbraw/zinc/30/46/53/166304653.db2.gz XOIKMJAYMMQHKS-RYUDHWBXSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@@H]1C[C@]1(C#N)C=C(C)C 39071383 166304704 /nfs/dbraw/zinc/30/47/04/166304704.db2.gz FCGAWTOUNXEEHR-UWVGGRQHSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@@H]1C[C@@]1(C#N)C=C(C)C 39071381 166304769 /nfs/dbraw/zinc/30/47/69/166304769.db2.gz FCGAWTOUNXEEHR-VHSXEESVSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@@H]1C[C@H](CC#N)C1(C)C 248484 166304884 /nfs/dbraw/zinc/30/48/84/166304884.db2.gz VILTYDDIGXXGBZ-IUCAKERBSA-N 0 0 165.236 2.151 10 30 AEEERN CC(=O)[C@H](C#N)c1cc(C)ccc1C 49806170 166305034 /nfs/dbraw/zinc/30/50/34/166305034.db2.gz QWKIWJMFIRUHKY-LBPRGKRZSA-N 0 0 187.242 2.500 10 30 AEEERN CC(O)=C(C=O)c1ccccc1Cl 106349728 166306215 /nfs/dbraw/zinc/30/62/15/166306215.db2.gz DVUAZVQGPBWNGS-VIFPVBQESA-N 0 0 196.633 2.212 10 30 AEEERN CC(=O)[C@H](CC(C)C)[C@@]1(C)CO1 196602186 166306343 /nfs/dbraw/zinc/30/63/43/166306343.db2.gz JLIZHJAJKBKCAC-VHSXEESVSA-N 0 0 170.252 2.027 10 30 AEEERN CC(O)=C(C=O)c1ccc(Cl)cc1 106349734 166306361 /nfs/dbraw/zinc/30/63/61/166306361.db2.gz DGMBDYTVHFFHRD-JTQLQIEISA-N 0 0 196.633 2.212 10 30 AEEERN CC(=O)[C@H](CC(C)C)[C@]1(C)CO1 196602164 166307003 /nfs/dbraw/zinc/30/70/03/166307003.db2.gz JLIZHJAJKBKCAC-UWVGGRQHSA-N 0 0 170.252 2.027 10 30 AEEERN CC(=O)[C@H](C#N)c1cc(F)cc(F)c1 44388046 166307089 /nfs/dbraw/zinc/30/70/89/166307089.db2.gz ATHNLKJJNUZQHE-JTQLQIEISA-N 0 0 195.168 2.161 10 30 AEEERN CC(=O)[C@H](C#N)c1ccc(C)cc1C 34571024 166307465 /nfs/dbraw/zinc/30/74/65/166307465.db2.gz PUSVNBDKPAFNMX-LBPRGKRZSA-N 0 0 187.242 2.500 10 30 AEEERN CC(=O)[C@H](S)c1ccccc1 39375037 166308226 /nfs/dbraw/zinc/30/82/26/166308226.db2.gz NJECUOJMXHTVGE-VIFPVBQESA-N 0 0 166.245 2.247 10 30 AEEERN CC(=O)[C@H]1CCCCC[C@H]1C#N 39071695 166308354 /nfs/dbraw/zinc/30/83/54/166308354.db2.gz SPCQPYROZAXMCT-VHSXEESVSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@H]1CCCC[C@H]1CC#N 39071821 166308369 /nfs/dbraw/zinc/30/83/69/166308369.db2.gz RVCMUQJBUYPEDD-VHSXEESVSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@H]1CCC=C[C@H]1CC#N 75545757 166308372 /nfs/dbraw/zinc/30/83/72/166308372.db2.gz RRPCUFXFMHDVRP-VHSXEESVSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@H]1CCCC[C@]1(C)C#N 39071845 166308591 /nfs/dbraw/zinc/30/85/91/166308591.db2.gz PITMLZGSFHGFRF-NXEZZACHSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@H]1CCCC[C@@]1(C)C#N 39071841 166309280 /nfs/dbraw/zinc/30/92/80/166309280.db2.gz PITMLZGSFHGFRF-ZJUUUORDSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@H]1CCC=C[C@@H]1CC#N 39071438 166309372 /nfs/dbraw/zinc/30/93/72/166309372.db2.gz RRPCUFXFMHDVRP-NXEZZACHSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@H]1CCCCC[C@@H]1C#N 39071691 166310248 /nfs/dbraw/zinc/31/02/48/166310248.db2.gz SPCQPYROZAXMCT-NXEZZACHSA-N 0 0 165.236 2.295 10 30 AEEERN CC(=O)[C@H](S)Nc1ccc(C)cc1 104477923 166310324 /nfs/dbraw/zinc/31/03/24/166310324.db2.gz NNQWOESSDBBHAA-JTQLQIEISA-N 0 0 195.287 2.252 10 30 AEEERN CC(=O)[C@](C)(C#N)CC(C)C 18679908 166310848 /nfs/dbraw/zinc/31/08/48/166310848.db2.gz MSDDJYKZXSEMCG-VIFPVBQESA-N 0 0 153.225 2.151 10 30 AEEERN CC(=O)[C@](C)(C#N)c1ccccc1 34226855 166310977 /nfs/dbraw/zinc/31/09/77/166310977.db2.gz FHXWSQWJGZUSLW-NSHDSACASA-N 0 0 173.215 2.057 10 30 AEEERN CC(=O)[C@H]1C[C@@H]1c1ccc(C#N)cc1 34973027 166311156 /nfs/dbraw/zinc/31/11/56/166311156.db2.gz XOIKMJAYMMQHKS-VXGBXAGGSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@H]1C[C@H]1c1ccc(C#N)cc1 34973030 166311259 /nfs/dbraw/zinc/31/12/59/166311259.db2.gz XOIKMJAYMMQHKS-NEPJUHHUSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@H]1C[C@]1(C#N)C=C(C)C 39071379 166311614 /nfs/dbraw/zinc/31/16/14/166311614.db2.gz FCGAWTOUNXEEHR-ZJUUUORDSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)[C@H]1C[C@H](CC#N)C1(C)C 248481 166311753 /nfs/dbraw/zinc/31/17/53/166311753.db2.gz VILTYDDIGXXGBZ-DTWKUNHWSA-N 0 0 165.236 2.151 10 30 AEEERN CC(=O)[C@H]1C[C@@H]1c1cccc(C#N)c1 34973063 166311973 /nfs/dbraw/zinc/31/19/73/166311973.db2.gz NPLUFLUYZMVVGJ-VXGBXAGGSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@H]1C[C@H]1c1cccc(C#N)c1 34973066 166312020 /nfs/dbraw/zinc/31/20/20/166312020.db2.gz NPLUFLUYZMVVGJ-NEPJUHHUSA-N 0 0 185.226 2.251 10 30 AEEERN CC(=O)[C@H]1C[C@@]1(C#N)C=C(C)C 39071377 166312380 /nfs/dbraw/zinc/31/23/80/166312380.db2.gz FCGAWTOUNXEEHR-NXEZZACHSA-N 0 0 163.220 2.071 10 30 AEEERN CC(=O)c1c(CC#N)[nH]c2ccccc12 75600483 166313721 /nfs/dbraw/zinc/31/37/21/166313721.db2.gz YRYMPRYDPCHFTE-UHFFFAOYSA-N 0 0 198.225 2.437 10 30 AEEERN CC(=O)c1c(C#N)ccc(F)c1F 75927168 166314066 /nfs/dbraw/zinc/31/40/66/166314066.db2.gz OSZWDZFLNHTFIJ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CC(=O)c1c(F)ccc(C#N)c1F 75927158 166314434 /nfs/dbraw/zinc/31/44/34/166314434.db2.gz BRRVVBCFZBHKID-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CC(=O)c1c(F)cc(F)cc1C#N 75927173 166314578 /nfs/dbraw/zinc/31/45/78/166314578.db2.gz VYLQULMKKXBKSQ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CC(=O)c1c(F)ccc(F)c1C#N 75927162 166315245 /nfs/dbraw/zinc/31/52/45/166315245.db2.gz QSGPTEKPFCEUNJ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CC(=O)c1c[nH]c2ccc(C#N)cc12 2018027 166315761 /nfs/dbraw/zinc/31/57/61/166315761.db2.gz OZQLJNFXIPOLHE-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN CC(=O)c1cc(C#N)c(F)c(F)c1F 75844565 166315817 /nfs/dbraw/zinc/31/58/17/166315817.db2.gz LWEFVBVGUGDNCZ-UHFFFAOYSA-N 0 0 199.131 2.178 10 30 AEEERN CC(=O)c1c[nH]c2c(C#N)cccc12 69593767 166316349 /nfs/dbraw/zinc/31/63/49/166316349.db2.gz DNOYTZSQRQAURR-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN CC(=O)c1cc(C#N)ccc1C 39070782 166317710 /nfs/dbraw/zinc/31/77/10/166317710.db2.gz SXJUDXWULIDYLR-UHFFFAOYSA-N 0 0 159.188 2.069 10 30 AEEERN CC(=O)c1cc(C)cc(C#N)c1 95764553 166317711 /nfs/dbraw/zinc/31/77/11/166317711.db2.gz FAQMQYXRNPSLFT-UHFFFAOYSA-N 0 0 159.188 2.069 10 30 AEEERN CC(=O)c1c[nH]c2cccc(C#N)c12 75576490 166317730 /nfs/dbraw/zinc/31/77/30/166317730.db2.gz WYAUGJNDEVSWEI-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN CC(=O)c1cc(Cl)cc(C#N)c1 75847064 166320639 /nfs/dbraw/zinc/32/06/39/166320639.db2.gz CGVQMJFJZWMQPK-UHFFFAOYSA-N 0 0 179.606 2.414 10 30 AEEERN CC(=O)c1cc2c(C#N)cccc2[nH]1 259771649 166321239 /nfs/dbraw/zinc/32/12/39/166321239.db2.gz VUHKUARMTZRAOB-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN CC(=O)c1ccc(C#N)c2cc[nH]c12 299889183 166321805 /nfs/dbraw/zinc/32/18/05/166321805.db2.gz FQSXFIXKMMNIOJ-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN CC(=O)c1ccc(C)c(C#N)c1 32005871 166321868 /nfs/dbraw/zinc/32/18/68/166321868.db2.gz HWBOVVUCRUBWIV-UHFFFAOYSA-N 0 0 159.188 2.069 10 30 AEEERN CC(=O)c1ccc(C)cc1C#N 39070877 166322096 /nfs/dbraw/zinc/32/20/96/166322096.db2.gz KQALDXSZMFIDOO-UHFFFAOYSA-N 0 0 159.188 2.069 10 30 AEEERN CC(=O)c1ccc(O[C@H](C)C#N)cc1 47873881 166323570 /nfs/dbraw/zinc/32/35/70/166323570.db2.gz PIRFTXQZOTVXLN-MRVPVSSYSA-N 0 0 189.214 2.180 10 30 AEEERN CC(=O)c1ccc(NCCC#N)cc1 33432805 166323909 /nfs/dbraw/zinc/32/39/09/166323909.db2.gz VLZUMIRLEMZYTN-UHFFFAOYSA-N 0 0 188.230 2.215 10 30 AEEERN CC(=O)c1ccc(O[C@@H](C)C#N)cc1 47873880 166324820 /nfs/dbraw/zinc/32/48/20/166324820.db2.gz PIRFTXQZOTVXLN-QMMMGPOBSA-N 0 0 189.214 2.180 10 30 AEEERN CC(=O)c1ccc([C@@H](C)C=O)cc1 75566530 166325070 /nfs/dbraw/zinc/32/50/70/166325070.db2.gz ZVPOKJJJRCBEKV-QMMMGPOBSA-N 0 0 176.215 2.192 10 30 AEEERN CC(=O)c1ccc([C@H](C)C=O)cc1 75566532 166325318 /nfs/dbraw/zinc/32/53/18/166325318.db2.gz ZVPOKJJJRCBEKV-MRVPVSSYSA-N 0 0 176.215 2.192 10 30 AEEERN CC(=O)c1ccc(F)c(C#N)c1F 75927165 166325381 /nfs/dbraw/zinc/32/53/81/166325381.db2.gz JEZVXSGAIHRZKQ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CC(=O)c1ccc(CCC=O)cc1 95938108 166326053 /nfs/dbraw/zinc/32/60/53/166326053.db2.gz MLNXIFWOUYCVFT-UHFFFAOYSA-N 0 0 176.215 2.021 10 30 AEEERN CC(=O)c1ccc(Cl)c(C#N)c1 32007376 166326067 /nfs/dbraw/zinc/32/60/67/166326067.db2.gz XDZZRTGYXHHRDR-UHFFFAOYSA-N 0 0 179.606 2.414 10 30 AEEERN CC(=O)c1ccc(CS)cc1 78323810 166326157 /nfs/dbraw/zinc/32/61/57/166326157.db2.gz FPWTYNVSDHXYDF-UHFFFAOYSA-N 0 0 166.245 2.319 10 30 AEEERN CC(=O)c1cccc2c1[C@@H](C#N)C2 39069431 166326619 /nfs/dbraw/zinc/32/66/19/166326619.db2.gz KXZDPVISANUYNB-SECBINFHSA-N 0 0 171.199 2.052 10 30 AEEERN CC(=O)c1cccc(NCCC#N)c1 33432806 166328330 /nfs/dbraw/zinc/32/83/30/166328330.db2.gz PMIPCNISFDRQND-UHFFFAOYSA-N 0 0 188.230 2.215 10 30 AEEERN CC(=O)c1cccc2c(CC#N)c[nH]c12 89204234 166328574 /nfs/dbraw/zinc/32/85/74/166328574.db2.gz HVULNEIEJOJGJX-UHFFFAOYSA-N 0 0 198.225 2.437 10 30 AEEERN CC(=O)c1cccc2c1[C@H](C#N)C2 39069430 166328592 /nfs/dbraw/zinc/32/85/92/166328592.db2.gz KXZDPVISANUYNB-VIFPVBQESA-N 0 0 171.199 2.052 10 30 AEEERN CC(=O)c1ccccc1NCCC#N 33432807 166329368 /nfs/dbraw/zinc/32/93/68/166329368.db2.gz AAFAHSFQZCWACK-UHFFFAOYSA-N 0 0 188.230 2.215 10 30 AEEERN CC(=O)c1ccccc1CCC=O 34538420 166330102 /nfs/dbraw/zinc/33/01/02/166330102.db2.gz BPRSTTBCUGWYAF-UHFFFAOYSA-N 0 0 176.215 2.021 10 30 AEEERN CC(=O)c1ccn2c(C#N)ccc2c1 75576486 166331123 /nfs/dbraw/zinc/33/11/23/166331123.db2.gz LFNJLSXHLXZBNE-UHFFFAOYSA-N 0 0 184.198 2.014 10 30 AEEERN CC(=O)n1cc(CC#N)c2ccccc21 39207271 166336879 /nfs/dbraw/zinc/33/68/79/166336879.db2.gz QVXKKOGYIMENPO-UHFFFAOYSA-N 0 0 198.225 2.367 10 30 AEEERN CC(=O)n1c(C#N)c(C)c2ccccc21 39258542 166336883 /nfs/dbraw/zinc/33/68/83/166336883.db2.gz ALRCPNCKNMXTDD-UHFFFAOYSA-N 0 0 198.225 2.482 10 30 AEEERN CC(C#N)(C#N)Cc1ccc(F)cc1 58520687 166337256 /nfs/dbraw/zinc/33/72/56/166337256.db2.gz UHRFBFMDRCXPHF-UHFFFAOYSA-N 0 0 188.205 2.422 10 30 AEEERN CC(C)(/C=N\O)Sc1ccccn1 45814893 166337597 /nfs/dbraw/zinc/33/75/97/166337597.db2.gz OTBSVNPFLXCHDK-XFFZJAGNSA-N 0 0 196.275 2.412 10 30 AEEERN CC(C#N)(C#N)Cc1ccccc1F 58520685 166337737 /nfs/dbraw/zinc/33/77/37/166337737.db2.gz AQYBPVYQVFZYJF-UHFFFAOYSA-N 0 0 188.205 2.422 10 30 AEEERN CC(C#N)(C#N)Cc1ccccc1 58518407 166338478 /nfs/dbraw/zinc/33/84/78/166338478.db2.gz VSYWUKYBSLCYCF-UHFFFAOYSA-N 0 0 170.215 2.283 10 30 AEEERN CC(C)(C#N)C1=CC(=O)CCC1 75545816 166338482 /nfs/dbraw/zinc/33/84/82/166338482.db2.gz MKDFBORAKDDYFZ-UHFFFAOYSA-N 0 0 163.220 2.216 10 30 AEEERN CC(C)(C#N)NCc1ccccc1F 20177683 166339869 /nfs/dbraw/zinc/33/98/69/166339869.db2.gz PSSYVJXNESMDKK-UHFFFAOYSA-N 0 0 192.237 2.217 10 30 AEEERN CC(C)(C#N)[C@@H]1C=CCC(=O)C1 105584734 166339997 /nfs/dbraw/zinc/33/99/97/166339997.db2.gz LEYSUYVKIRRTCS-MRVPVSSYSA-N 0 0 163.220 2.071 10 30 AEEERN CC(C)(C#N)c1cc(N)c(F)cc1F 75598778 166340062 /nfs/dbraw/zinc/34/00/62/166340062.db2.gz MHXAEDFWTQVVCZ-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN CC(C)(C#N)c1ccc(N)cc1F 75934357 166340142 /nfs/dbraw/zinc/34/01/42/166340142.db2.gz RBFJJKNOGRKFHN-UHFFFAOYSA-N 0 0 178.210 2.209 10 30 AEEERN CC(C)(C#N)[C@@H]1CCCC(=O)C1 75546848 166340146 /nfs/dbraw/zinc/34/01/46/166340146.db2.gz HSCHCTKOVQBQPF-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C#N)[C@H](N)c1ccc(F)cc1 211515959 166340191 /nfs/dbraw/zinc/34/01/91/166340191.db2.gz BDUCBTIHZQLGOD-SNVBAGLBSA-N 0 0 192.237 2.375 10 30 AEEERN CC(C)(C#N)[C@H]1CC=CC(=O)C1 75545814 166340376 /nfs/dbraw/zinc/34/03/76/166340376.db2.gz PNNKIZSOJTVIDH-QMMMGPOBSA-N 0 0 163.220 2.071 10 30 AEEERN CC(C)(C#N)[C@@H]1C=CCC[C@@H]1C=O 75567864 166340434 /nfs/dbraw/zinc/34/04/34/166340434.db2.gz AHBNRWSNOAHCHJ-NXEZZACHSA-N 0 0 177.247 2.317 10 30 AEEERN CC(C)(C#N)[C@H]1C=CCC(=O)C1 105584731 166340464 /nfs/dbraw/zinc/34/04/64/166340464.db2.gz LEYSUYVKIRRTCS-QMMMGPOBSA-N 0 0 163.220 2.071 10 30 AEEERN CC(C)(C#N)[C@](C)(O)c1ccccc1 4672833 166340529 /nfs/dbraw/zinc/34/05/29/166340529.db2.gz VBNIMPKFZSCJFP-GFCCVEGCSA-N 0 0 189.258 2.444 10 30 AEEERN CC(C)(C#N)[C@@](C)(O)c1ccccc1 4672834 166340644 /nfs/dbraw/zinc/34/06/44/166340644.db2.gz VBNIMPKFZSCJFP-LBPRGKRZSA-N 0 0 189.258 2.444 10 30 AEEERN CC(C)(C#N)NCc1cccs1 37856979 166340707 /nfs/dbraw/zinc/34/07/07/166340707.db2.gz QLKLDKBNGYTHAJ-UHFFFAOYSA-N 0 0 180.276 2.140 10 30 AEEERN CC(C)(C#N)c1cc(N)ccc1F 75934355 166340965 /nfs/dbraw/zinc/34/09/65/166340965.db2.gz GGESOMOJVOEACD-UHFFFAOYSA-N 0 0 178.210 2.209 10 30 AEEERN CC(C)(C#N)[C@H]1C=CCC[C@@H]1C=O 75567870 166341263 /nfs/dbraw/zinc/34/12/63/166341263.db2.gz AHBNRWSNOAHCHJ-ZJUUUORDSA-N 0 0 177.247 2.317 10 30 AEEERN CC(C)(C#N)[C@@H](N)c1ccc(F)cc1 211516031 166341321 /nfs/dbraw/zinc/34/13/21/166341321.db2.gz BDUCBTIHZQLGOD-JTQLQIEISA-N 0 0 192.237 2.375 10 30 AEEERN CC(C)(C#N)[C@H]1C=CCC[C@H]1C=O 75567872 166341657 /nfs/dbraw/zinc/34/16/57/166341657.db2.gz AHBNRWSNOAHCHJ-UWVGGRQHSA-N 0 0 177.247 2.317 10 30 AEEERN CC(C)(C#N)[C@@H]1C=CCC[C@H]1C=O 75567871 166341902 /nfs/dbraw/zinc/34/19/02/166341902.db2.gz AHBNRWSNOAHCHJ-VHSXEESVSA-N 0 0 177.247 2.317 10 30 AEEERN CC(C)(C#N)[C@@H]1CC=CC(=O)C1 36437809 166341904 /nfs/dbraw/zinc/34/19/04/166341904.db2.gz PNNKIZSOJTVIDH-MRVPVSSYSA-N 0 0 163.220 2.071 10 30 AEEERN CC(C)(C#N)[C@H]1CCCC(=O)C1 75546849 166342409 /nfs/dbraw/zinc/34/24/09/166342409.db2.gz HSCHCTKOVQBQPF-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C)C(=NN)Nc1ccccc1 42038340 166343871 /nfs/dbraw/zinc/34/38/71/166343871.db2.gz ZSOYARNWAWRPSV-UHFFFAOYSA-N 0 0 191.278 2.417 10 30 AEEERN CC(C)(C)C(=O)OC1=CCCCC1=O 22003612 166346095 /nfs/dbraw/zinc/34/60/95/166346095.db2.gz YRZKHAZXUWHHGZ-UHFFFAOYSA-N 0 0 196.246 2.213 10 30 AEEERN CC(C)(C)C(=O)c1ncccc1C#N 75854870 166346690 /nfs/dbraw/zinc/34/66/90/166346690.db2.gz YRMKRNVSVWDGIE-UHFFFAOYSA-N 0 0 188.230 2.182 10 30 AEEERN CC(C)(C)CC(C)(C)NCC#N 31938090 166347378 /nfs/dbraw/zinc/34/73/78/166347378.db2.gz DYOAJAJZOBDWKY-UHFFFAOYSA-N 0 0 168.284 2.314 10 30 AEEERN CC(C)(C)C1CCN(CC#N)CC1 50346952 166348094 /nfs/dbraw/zinc/34/80/94/166348094.db2.gz JDYPQEUXLDLYCW-UHFFFAOYSA-N 0 0 180.295 2.268 10 30 AEEERN CC(C)(C)C(O)(C=O)C(C)(C)C 75562964 166348474 /nfs/dbraw/zinc/34/84/74/166348474.db2.gz OLNMIZLVPOHAQG-UHFFFAOYSA-N 0 0 172.268 2.009 10 30 AEEERN CC(C)(C)C1=C(Cl)C(=O)C1 39125449 166349089 /nfs/dbraw/zinc/34/90/89/166349089.db2.gz SMOFVWFTFPWDHC-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN CC(C)(C)CCn1ccnc1/C=N/O 103254410 166350665 /nfs/dbraw/zinc/35/06/65/166350665.db2.gz MLRHSBXBQWKAFV-XYOKQWHBSA-N 0 0 195.266 2.127 10 30 AEEERN CC(C)(C)CCC(C#N)C#N 44250338 166351000 /nfs/dbraw/zinc/35/10/00/166351000.db2.gz CZAOPPKUZAVNSS-UHFFFAOYSA-N 0 0 150.225 2.476 10 30 AEEERN CC(C)(C)CCn1cc(C#N)cn1 307109705 166351845 /nfs/dbraw/zinc/35/18/45/166351845.db2.gz NELBPXQMPJTECB-UHFFFAOYSA-N 0 0 177.251 2.191 10 30 AEEERN CC(C)(C)CCCC=O 2002742 166352541 /nfs/dbraw/zinc/35/25/41/166352541.db2.gz XVXGREGYPLBBOW-UHFFFAOYSA-N 0 0 128.215 2.402 10 30 AEEERN CC(C)(C)C[C@@H](C#N)NC1CC1 61840106 166355979 /nfs/dbraw/zinc/35/59/79/166355979.db2.gz NNUJCAPFAZKDSW-VIFPVBQESA-N 0 0 166.268 2.067 10 30 AEEERN CC(C)(C)C[C@H](C#N)NC1CC1 61840107 166357575 /nfs/dbraw/zinc/35/75/75/166357575.db2.gz NNUJCAPFAZKDSW-SECBINFHSA-N 0 0 166.268 2.067 10 30 AEEERN CC(C)(C)N/N=C/c1cccs1 3275926 166360588 /nfs/dbraw/zinc/36/05/88/166360588.db2.gz IYRMTZCDLKTEKU-JXMROGBWSA-N 0 0 182.292 2.470 10 30 AEEERN CC(C)(C)NC1(C#N)CCCC1 20177875 166362370 /nfs/dbraw/zinc/36/23/70/166362370.db2.gz DEEPBKUSOZKDOG-UHFFFAOYSA-N 0 0 166.268 2.211 10 30 AEEERN CC(C)(C)Nc1cccc(C#N)n1 34075877 166364387 /nfs/dbraw/zinc/36/43/87/166364387.db2.gz JIIFVQOXRKKZIZ-UHFFFAOYSA-N 0 0 175.235 2.164 10 30 AEEERN CC(C)(C)N[C@@H](C#N)c1ccccn1 19985745 166364645 /nfs/dbraw/zinc/36/46/45/166364645.db2.gz VXERXGAJMBIAQV-JTQLQIEISA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(C)N[C@@H](C#N)c1ccco1 19984861 166364858 /nfs/dbraw/zinc/36/48/58/166364858.db2.gz UOIRKAMTHANINQ-QMMMGPOBSA-N 0 0 178.235 2.232 10 30 AEEERN CC(C)(C)N[C@H](C#N)c1ccccn1 19985748 166364874 /nfs/dbraw/zinc/36/48/74/166364874.db2.gz VXERXGAJMBIAQV-SNVBAGLBSA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(C)N[C@H](C#N)c1ccncc1 19986643 166365105 /nfs/dbraw/zinc/36/51/05/166365105.db2.gz PRHBMGQJTGWRFV-SNVBAGLBSA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(C)N[C@@H](C#N)c1ccncc1 19986639 166365191 /nfs/dbraw/zinc/36/51/91/166365191.db2.gz PRHBMGQJTGWRFV-JTQLQIEISA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(C)N[C@H](C#N)c1ccco1 19984865 166365524 /nfs/dbraw/zinc/36/55/24/166365524.db2.gz UOIRKAMTHANINQ-MRVPVSSYSA-N 0 0 178.235 2.232 10 30 AEEERN CC(C)(C)N[C@@H](C#N)c1cccnc1 19986191 166366439 /nfs/dbraw/zinc/36/64/39/166366439.db2.gz QXRHIHGISOGZJF-JTQLQIEISA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(C)N[C@H](C#N)c1cccnc1 19986194 166366793 /nfs/dbraw/zinc/36/67/93/166366793.db2.gz QXRHIHGISOGZJF-SNVBAGLBSA-N 0 0 189.262 2.034 10 30 AEEERN CC(C)(C)Nc1ncccc1C#N 19470503 166367843 /nfs/dbraw/zinc/36/78/43/166367843.db2.gz SLDQMMQBPHHSBQ-UHFFFAOYSA-N 0 0 175.235 2.164 10 30 AEEERN CC(C)(C)Nc1ccnc(C#N)c1 34333492 166369235 /nfs/dbraw/zinc/36/92/35/166369235.db2.gz JZVRSBZYOQDHAR-UHFFFAOYSA-N 0 0 175.235 2.164 10 30 AEEERN CC(C)(C)Oc1ccc(C#N)cc1N 35675030 166372701 /nfs/dbraw/zinc/37/27/01/166372701.db2.gz SDRGLHRDCJQUHX-UHFFFAOYSA-N 0 0 190.246 2.318 10 30 AEEERN CC(C)(C)OCCCCC#N 49579558 166374465 /nfs/dbraw/zinc/37/44/65/166374465.db2.gz KPQNUCCJJNQPSZ-UHFFFAOYSA-N 0 0 155.241 2.495 10 30 AEEERN CC(C)(C)Oc1cccc(O)c1C#N 95723068 166374857 /nfs/dbraw/zinc/37/48/57/166374857.db2.gz INMUEALPXSLZJS-UHFFFAOYSA-N 0 0 191.230 2.441 10 30 AEEERN CC(C)(C)Oc1ncccc1C#N 20514083 166374894 /nfs/dbraw/zinc/37/48/94/166374894.db2.gz XSHLXUXGQPODGK-UHFFFAOYSA-N 0 0 176.219 2.131 10 30 AEEERN CC(C)(C)[C@@H]1CCCC[C@]1(N)C#N 19259979 166375547 /nfs/dbraw/zinc/37/55/47/166375547.db2.gz ABNZRRKXSUZGPU-ONGXEEELSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)(C)[C@@H]1CCCC[C@@]1(N)C#N 19259975 166377460 /nfs/dbraw/zinc/37/74/60/166377460.db2.gz ABNZRRKXSUZGPU-GXSJLCMTSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)(C)[C@H](C#N)N1CCCCC1 41051939 166378218 /nfs/dbraw/zinc/37/82/18/166378218.db2.gz HXSRKZWPZGQQFY-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)[C@H](C#N)NC1CCCC1 41051755 166378790 /nfs/dbraw/zinc/37/87/90/166378790.db2.gz UNKFDEWBAXBSDL-JTQLQIEISA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)(C)[C@H](C#N)N1CCCC1 39651283 166379554 /nfs/dbraw/zinc/37/95/54/166379554.db2.gz QNRRZRJZLKEHER-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)(C)[C@H]1CCCC[C@]1(N)C#N 19259981 166380496 /nfs/dbraw/zinc/38/04/96/166380496.db2.gz ABNZRRKXSUZGPU-KOLCDFICSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)(C)[C@H]1CCCC[C@@]1(N)C#N 19259977 166380687 /nfs/dbraw/zinc/38/06/87/166380687.db2.gz ABNZRRKXSUZGPU-MWLCHTKSSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)(C)[S@@](=O)/N=C/c1ccco1 38880672 166380860 /nfs/dbraw/zinc/38/08/60/166380860.db2.gz ASZIYPFMBMZONN-RSPDNQDQSA-N 0 0 199.275 2.161 10 30 AEEERN CC(C)(C)c1ccc(C#N)c(N)c1 144730858 166382718 /nfs/dbraw/zinc/38/27/18/166382718.db2.gz XEYNQYYZQDCUAU-UHFFFAOYSA-N 0 0 174.247 2.438 10 30 AEEERN CC(C)(C)c1cc(C#N)c(C#N)cn1 39292307 166382855 /nfs/dbraw/zinc/38/28/55/166382855.db2.gz PIURXIMVSBVZDX-UHFFFAOYSA-N 0 0 185.230 2.122 10 30 AEEERN CC(C)(C)c1cc(C#N)c(N)o1 76192075 166383261 /nfs/dbraw/zinc/38/32/61/166383261.db2.gz XUSDDLNMCLYVQI-UHFFFAOYSA-N 0 0 164.208 2.031 10 30 AEEERN CC(C)(C)c1cc(Cl)nnc1C#N 21297647 166384024 /nfs/dbraw/zinc/38/40/24/166384024.db2.gz KJJFPGRULVCAEK-UHFFFAOYSA-N 0 0 195.653 2.299 10 30 AEEERN CC(C)(C)c1ccc(O)c(/C=N/O)c1 18164844 166384250 /nfs/dbraw/zinc/38/42/50/166384250.db2.gz JPVAJIHITBSSAM-KPKJPENVSA-N 0 0 193.246 2.498 10 30 AEEERN CC(C)(C)c1csc(C#N)n1 75847087 166386570 /nfs/dbraw/zinc/38/65/70/166386570.db2.gz PCNCVSXRHRELQZ-UHFFFAOYSA-N 0 0 166.249 2.312 10 30 AEEERN CC(C)(C)c1oncc1CC#N 39113153 166389545 /nfs/dbraw/zinc/38/95/45/166389545.db2.gz DJGCNXYCSWVVPS-UHFFFAOYSA-N 0 0 164.208 2.038 10 30 AEEERN CC(C)(C)c1ncoc1CS 95082891 166389594 /nfs/dbraw/zinc/38/95/94/166389594.db2.gz XKNVJWJLFWWKNN-UHFFFAOYSA-N 0 0 171.265 2.402 10 30 AEEERN CC(C)(C=O)SC1=COCCC1 75577398 166391487 /nfs/dbraw/zinc/39/14/87/166391487.db2.gz UTBHDFUGCASVOR-UHFFFAOYSA-N 0 0 186.276 2.349 10 30 AEEERN CC(C)(C=O)CCc1ccncc1 68590802 166391510 /nfs/dbraw/zinc/39/15/10/166391510.db2.gz XBERQBYYQAQXBV-UHFFFAOYSA-N 0 0 177.247 2.239 10 30 AEEERN CC(C)(CC=O)Nc1ccccc1 21997220 166391942 /nfs/dbraw/zinc/39/19/42/166391942.db2.gz DFEZNQKAGNAOSK-UHFFFAOYSA-N 0 0 177.247 2.466 10 30 AEEERN CC(C)(C=O)c1ccc(C#N)cc1 75563560 166392124 /nfs/dbraw/zinc/39/21/24/166392124.db2.gz KNCFKKGBRZYPRD-UHFFFAOYSA-N 0 0 173.215 2.035 10 30 AEEERN CC(C)(C)n1ccnc1SCC#N 57489751 166392150 /nfs/dbraw/zinc/39/21/50/166392150.db2.gz KOSNUCUPGRPXFK-UHFFFAOYSA-N 0 0 195.291 2.254 10 30 AEEERN CC(C)(C=O)C(=O)c1ccc(F)cc1 34284458 166393010 /nfs/dbraw/zinc/39/30/10/166393010.db2.gz ZEHSWRAQLOVVKF-UHFFFAOYSA-N 0 0 194.205 2.234 10 30 AEEERN CC(C)(CF)Nc1ncccc1C#N 306435135 166393790 /nfs/dbraw/zinc/39/37/90/166393790.db2.gz AZBIURDRRJYOEE-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(CF)Nc1cccc(C#N)n1 306947460 166394603 /nfs/dbraw/zinc/39/46/03/166394603.db2.gz PRDZIYVIGRQLAA-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(CF)Nc1ccc(C#N)cn1 306307952 166394755 /nfs/dbraw/zinc/39/47/55/166394755.db2.gz KGJOPOJQBMOJDK-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(CNCC#N)c1ccccc1 37935091 166395760 /nfs/dbraw/zinc/39/57/60/166395760.db2.gz BGFBEHNGPWHURV-UHFFFAOYSA-N 0 0 188.274 2.077 10 30 AEEERN CC(C)(O)C(=O)/C=C\c1ccccc1 33285498 166407006 /nfs/dbraw/zinc/40/70/06/166407006.db2.gz ZIKGYKMUSIDTHK-HJWRWDBZSA-N 0 0 190.242 2.040 10 30 AEEERN CC(C)=CCN(CCC#N)C1CC1 42548961 166415424 /nfs/dbraw/zinc/41/54/24/166415424.db2.gz ZUDQHFWHHVEMIS-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN CC(C)=Nc1cccnc1 34115176 166422756 /nfs/dbraw/zinc/42/27/56/166422756.db2.gz LOPICWNGDXVAAE-UHFFFAOYSA-N 0 0 134.182 2.194 10 30 AEEERN CC(C)C(=O)c1ccc(C#N)cc1 39648268 166428282 /nfs/dbraw/zinc/42/82/82/166428282.db2.gz IJQQLTRUDWNWRQ-UHFFFAOYSA-N 0 0 173.215 2.397 10 30 AEEERN CC(C)C1=CCCC=CC1=O 100264574 166430512 /nfs/dbraw/zinc/43/05/12/166430512.db2.gz ROTACZQKPHVXTJ-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)C1=CC(=O)[C@@](C)(F)C1 39103453 166431042 /nfs/dbraw/zinc/43/10/42/166431042.db2.gz CPRGNWGGUMVJLL-VIFPVBQESA-N 0 0 156.200 2.270 10 30 AEEERN CC(C)C/N=C/c1ccco1 32134536 166431120 /nfs/dbraw/zinc/43/11/20/166431120.db2.gz VPYYBUQTJFKWHQ-JXMROGBWSA-N 0 0 151.209 2.355 10 30 AEEERN CC(C)CC(=O)[C@H](C#N)C(C)C 41045720 166433106 /nfs/dbraw/zinc/43/31/06/166433106.db2.gz XGTJJIBETMRELM-SECBINFHSA-N 0 0 167.252 2.397 10 30 AEEERN CC(C)CCOc1ccc(C#N)cn1 19519565 166451276 /nfs/dbraw/zinc/45/12/76/166451276.db2.gz JIVPJTZKEBZBJS-UHFFFAOYSA-N 0 0 190.246 2.378 10 30 AEEERN CC(C)CN[C@@H](C#N)C(C)(C)C 41051684 166471188 /nfs/dbraw/zinc/47/11/88/166471188.db2.gz ZOZCWFNSIACSPU-VIFPVBQESA-N 0 0 168.284 2.170 10 30 AEEERN CC(C)CN[C@@H](C#N)c1ccccc1 19986723 166472031 /nfs/dbraw/zinc/47/20/31/166472031.db2.gz UWBGHSOYWAAHJA-LBPRGKRZSA-N 0 0 188.274 2.497 10 30 AEEERN CC(C)CN[C@@](C)(C#N)C(C)C 37939104 166474994 /nfs/dbraw/zinc/47/49/94/166474994.db2.gz PJKYVBOEIFWOJP-JTQLQIEISA-N 0 0 168.284 2.170 10 30 AEEERN CC(C)COc1ccc(C#N)cc1N 35674919 166479393 /nfs/dbraw/zinc/47/93/93/166479393.db2.gz HTLHITFFFHWVPU-UHFFFAOYSA-N 0 0 190.246 2.175 10 30 AEEERN CC(C)C[C@@H](C)CC=O 5441619 166480034 /nfs/dbraw/zinc/48/00/34/166480034.db2.gz VWLITJGXNSANSN-QMMMGPOBSA-N 0 0 128.215 2.258 10 30 AEEERN CC(C)C[C@@H](C#N)C(=O)[C@@H]1C[C@@H]1C 43374851 166480422 /nfs/dbraw/zinc/48/04/22/166480422.db2.gz LGQFUMRSAGLCEW-LPEHRKFASA-N 0 0 179.263 2.397 10 30 AEEERN CC(C)CSC[C@H](C#N)NC1CC1 45332602 166480431 /nfs/dbraw/zinc/48/04/31/166480431.db2.gz LQWYQKGZKPSCQO-JTQLQIEISA-N 0 0 198.335 2.020 10 30 AEEERN CC(C)C[C@H](C#N)NCC(F)(F)F 37971072 166490992 /nfs/dbraw/zinc/49/09/92/166490992.db2.gz BHABHHGJVVYGSH-SSDOTTSWSA-N 0 0 194.200 2.077 10 30 AEEERN CC(C)C[C@H](C)N(C)[C@@H](C)C#N 43522332 166492353 /nfs/dbraw/zinc/49/23/53/166492353.db2.gz CRGAZHVILNQLJU-UWVGGRQHSA-N 0 0 168.284 2.265 10 30 AEEERN CC(C)C[C@H](C)OCC[C@@](C)(N)C#N 45208565 166493863 /nfs/dbraw/zinc/49/38/63/166493863.db2.gz KRSGGMCANAMEIA-WDEREUQCSA-N 0 0 198.310 2.069 10 30 AEEERN CC(C)N(CC(F)(F)F)[C@@H](C)C#N 43522418 166513212 /nfs/dbraw/zinc/51/32/12/166513212.db2.gz XXQIWCKDOCLWIX-ZETCQYMHSA-N 0 0 194.200 2.171 10 30 AEEERN CC(C)N(CCC#N)c1ccccn1 44414998 166514417 /nfs/dbraw/zinc/51/44/17/166514417.db2.gz PRWCVSBCLIQPDR-UHFFFAOYSA-N 0 0 189.262 2.210 10 30 AEEERN CC(C)N(C)c1ccccc1C#N 20077043 166514655 /nfs/dbraw/zinc/51/46/55/166514655.db2.gz DTMIYDDOELZRBI-UHFFFAOYSA-N 0 0 174.247 2.403 10 30 AEEERN CC(C)N[C@@H](C#N)c1ccsc1 36924724 166545607 /nfs/dbraw/zinc/54/56/07/166545607.db2.gz CMNNBNANQQKHNC-VIFPVBQESA-N 0 0 180.276 2.311 10 30 AEEERN CC(C)N[C@H](C#N)c1cccc(F)c1 36924729 166547737 /nfs/dbraw/zinc/54/77/37/166547737.db2.gz HBGWBICEBBJYBP-LLVKDONJSA-N 0 0 192.237 2.388 10 30 AEEERN CC(C)N[C@@](C)(C#N)C1CCCC1 54081675 166548770 /nfs/dbraw/zinc/54/87/70/166548770.db2.gz YCSSRKUWQRZIPK-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@@](C)(C#N)CCOC(C)C 45208287 166549086 /nfs/dbraw/zinc/54/90/86/166549086.db2.gz BCDLONPWXFQURI-LLVKDONJSA-N 0 0 198.310 2.082 10 30 AEEERN CC(C)OC1=CC(=O)CCC1 5760838 166557676 /nfs/dbraw/zinc/55/76/76/166557676.db2.gz IISFUJKHMFGYOU-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN CC(C)OCc1cccc(C#N)c1 19476424 166558621 /nfs/dbraw/zinc/55/86/21/166558621.db2.gz JIWJKFAWCNFFCC-UHFFFAOYSA-N 0 0 175.231 2.483 10 30 AEEERN CC(C)SC[C@@H](C)C#N 37685651 166563058 /nfs/dbraw/zinc/56/30/58/166563058.db2.gz AAXPSVHNQXABFE-ZETCQYMHSA-N 0 0 143.255 2.288 10 30 AEEERN CC(C)SCCS 32163245 166563952 /nfs/dbraw/zinc/56/39/52/166563952.db2.gz VKUMRESRWKKRPX-UHFFFAOYSA-N 0 0 136.285 2.058 10 30 AEEERN CC(C)SC#CC(F)F 6884159 166564878 /nfs/dbraw/zinc/56/48/78/166564878.db2.gz VMMKNWMBRNOXLV-UHFFFAOYSA-N 0 0 150.193 2.354 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)C1CCC1 41045723 166565579 /nfs/dbraw/zinc/56/55/79/166565579.db2.gz XHWVULKSQPDLMM-SECBINFHSA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)c1ccoc1 41045613 166565768 /nfs/dbraw/zinc/56/57/68/166565768.db2.gz CYEQVRHEISHVPT-SECBINFHSA-N 0 0 177.203 2.258 10 30 AEEERN CC(C)[C@@H](C#N)c1cccnc1 75544670 166566147 /nfs/dbraw/zinc/56/61/47/166566147.db2.gz IJXAJYMELAQPMI-SNVBAGLBSA-N 0 0 160.220 2.345 10 30 AEEERN CC(C)[C@@H](C)Nc1cc(C#N)ccn1 20523554 166571766 /nfs/dbraw/zinc/57/17/66/166571766.db2.gz ACOCJOKBRQVCCE-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN CC(C)[C@@H](C)Nc1ncccc1C#N 20305722 166574267 /nfs/dbraw/zinc/57/42/67/166574267.db2.gz QBUYAIXLUFQASO-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN CC(C)[C@@H](O)C#CC(C)(C)C 21990845 166581456 /nfs/dbraw/zinc/58/14/56/166581456.db2.gz UMRSEOYVIWGJMA-VIFPVBQESA-N 0 0 154.253 2.053 10 30 AEEERN CC(C)[C@@H]1C=C/C(=N\O)CC1 100264845 166585113 /nfs/dbraw/zinc/58/51/13/166585113.db2.gz ZEZLEDVCUGBUFB-KGSKPCQNSA-N 0 0 153.225 2.439 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C=O)C1 39060791 166587398 /nfs/dbraw/zinc/58/73/98/166587398.db2.gz BZVXJRPRPZWNKM-RKDXNWHRSA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)[C@@]1(c2ccco2)CO1 39103157 166595824 /nfs/dbraw/zinc/59/58/24/166595824.db2.gz UFMMAVFVYAFADO-SECBINFHSA-N 0 0 152.193 2.161 10 30 AEEERN CC(C)[C@H](C#N)NC1CCCC1 41049506 166598875 /nfs/dbraw/zinc/59/88/75/166598875.db2.gz ULKYYMRWDOGWFH-JTQLQIEISA-N 0 0 166.268 2.067 10 30 AEEERN CC(C)[C@H](C#N)C(=O)c1cccnc1 41045786 166598925 /nfs/dbraw/zinc/59/89/25/166598925.db2.gz HTWIUVNCRIVVBD-JTQLQIEISA-N 0 0 188.230 2.060 10 30 AEEERN C[C@H](Nc1cnccc1C#N)C1CC1 133765719 343926345 /nfs/dbraw/zinc/92/63/45/343926345.db2.gz PUVGIVHZTWCNMI-QMMMGPOBSA-N 0 0 187.246 2.164 10 30 AEEERN CC(C)[C@H]1C(C)(C)C1(C#N)C#N 39103829 166610993 /nfs/dbraw/zinc/61/09/93/166610993.db2.gz IAAVWSANUBRIBV-QMMMGPOBSA-N 0 0 162.236 2.332 10 30 AEEERN C[C@@H](Nc1cnccc1C#N)C1CC1 133765922 343926395 /nfs/dbraw/zinc/92/63/95/343926395.db2.gz PUVGIVHZTWCNMI-MRVPVSSYSA-N 0 0 187.246 2.164 10 30 AEEERN CC(C)c1c(C#N)cccc1C=O 39104658 166624150 /nfs/dbraw/zinc/62/41/50/166624150.db2.gz BOXXUJNVUCJTKA-UHFFFAOYSA-N 0 0 173.215 2.494 10 30 AEEERN CC(C)[C@]1(c2ccco2)CO1 39103156 166624481 /nfs/dbraw/zinc/62/44/81/166624481.db2.gz UFMMAVFVYAFADO-VIFPVBQESA-N 0 0 152.193 2.161 10 30 AEEERN CC(C)c1cc(C#N)nc(Cl)n1 32007571 166627286 /nfs/dbraw/zinc/62/72/86/166627286.db2.gz NDMVGAPULUPHTE-UHFFFAOYSA-N 0 0 181.626 2.125 10 30 AEEERN CC(C)c1ccc(C#N)cc1O 39103776 166629375 /nfs/dbraw/zinc/62/93/75/166629375.db2.gz BSZVFYXOLIBPPN-UHFFFAOYSA-N 0 0 161.204 2.387 10 30 AEEERN CC(C)c1cc(N=[N+]=[N-])n[nH]1 75494772 166629532 /nfs/dbraw/zinc/62/95/32/166629532.db2.gz LQQBBTSREGJIDV-UHFFFAOYSA-N 0 0 151.173 2.475 10 30 AEEERN CC(C)c1ccc(C=NO)o1 255995082 166630479 /nfs/dbraw/zinc/63/04/79/166630479.db2.gz PPMCBXGWOPGGGF-UHFFFAOYSA-N 0 0 153.181 2.211 10 30 AEEERN CC(C)n1ccnc1[C@@H](C)S 95088200 166650977 /nfs/dbraw/zinc/65/09/77/166650977.db2.gz PHOUEZBUSVOXFH-SSDOTTSWSA-N 0 0 170.281 2.455 10 30 AEEERN CC(C)n1cccc1CS 95088191 166651707 /nfs/dbraw/zinc/65/17/07/166651707.db2.gz UZIWSBVBGVIFEH-UHFFFAOYSA-N 0 0 155.266 2.499 10 30 AEEERN CC(C)n1cnc2cccc(C#N)c21 76208760 166652561 /nfs/dbraw/zinc/65/25/61/166652561.db2.gz BMYZFINPSCMAPH-UHFFFAOYSA-N 0 0 185.230 2.489 10 30 AEEERN CC/C(=N/O)c1cc(C)ccc1O 101511481 166656164 /nfs/dbraw/zinc/65/61/64/166656164.db2.gz ORIIBRPXSQXWGI-LUAWRHEFSA-N 0 0 179.219 2.289 10 30 AEEERN CCC(C)N=Nc1ccccn1 5421393 166657801 /nfs/dbraw/zinc/65/78/01/166657801.db2.gz OYXRKUCGKVPZDT-DHZHZOJOSA-N 0 0 163.224 2.279 10 30 AEEERN CC/C=N\c1cccnc1 72231231 166660605 /nfs/dbraw/zinc/66/06/05/166660605.db2.gz AIHKOZAVEQKNHP-YHYXMXQVSA-N 0 0 134.182 2.194 10 30 AEEERN CCCN=Nc1ccc([N+](=O)[O-])cc1 4336064 166661604 /nfs/dbraw/zinc/66/16/04/166661604.db2.gz QZGGFOPHAVJRME-JXMROGBWSA-N 0 0 193.206 2.403 10 30 AEEERN CC1(C)CC(=O)C(=O)C(C)(C)C1 32135919 166667052 /nfs/dbraw/zinc/66/70/52/166667052.db2.gz ZDVYJSLTFYQPID-UHFFFAOYSA-N 0 0 168.236 2.454 10 30 AEEERN CC1(C)CCCC[C@H]1C=O 15119642 166671567 /nfs/dbraw/zinc/67/15/67/166671567.db2.gz PRMCTXHFPWJOSP-QMMMGPOBSA-N 0 0 140.226 2.402 10 30 AEEERN CC1(C)CCCC[C@@H]1C=O 15119641 166673108 /nfs/dbraw/zinc/67/31/08/166673108.db2.gz PRMCTXHFPWJOSP-MRVPVSSYSA-N 0 0 140.226 2.402 10 30 AEEERN CC1(C)CCC[C@]2(C)O[C@H]12 39131973 166674757 /nfs/dbraw/zinc/67/47/57/166674757.db2.gz AHIVAUWCTZBWNE-APPZFPTMSA-N 0 0 140.226 2.354 10 30 AEEERN CC1(C)COc2ccc(C#N)cc21 82399715 166685950 /nfs/dbraw/zinc/68/59/50/166685950.db2.gz CKSJFALMIVSIEH-UHFFFAOYSA-N 0 0 173.215 2.228 10 30 AEEERN CC1(C)C[C@@]2(C)SC(=O)C=C2O1 104845327 166687248 /nfs/dbraw/zinc/68/72/48/166687248.db2.gz YTSRSBKTPABWLM-SECBINFHSA-N 0 0 184.260 2.101 10 30 AEEERN CC1(C)[C@@H](C#N)CC[C@]1(C)C=O 75546904 166698375 /nfs/dbraw/zinc/69/83/75/166698375.db2.gz GNGDLNMVJARTRQ-PSASIEDQSA-N 0 0 165.236 2.151 10 30 AEEERN CC1(C)[C@@H](C=O)[C@H]2CC[C@@H]1C2 33986201 166698602 /nfs/dbraw/zinc/69/86/02/166698602.db2.gz VMKZLKWCFOWLCT-YIZRAAEISA-N 0 0 152.237 2.258 10 30 AEEERN CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(O)CC#N 34484702 166702449 /nfs/dbraw/zinc/70/24/49/166702449.db2.gz GZZUHNFXWZTLCG-WCQGTBRESA-N 0 0 193.290 2.477 10 30 AEEERN CC1(C)[C@]2(C)CC[C@@]1(C#N)CC2=O 32227937 166704104 /nfs/dbraw/zinc/70/41/04/166704104.db2.gz SEBZADWFIXJMGC-MNOVXSKESA-N 0 0 177.247 2.295 10 30 AEEERN CC1(C)[C@]2(C#N)CC[C@@]1(C)[C@@H](O)C2 39281246 166704316 /nfs/dbraw/zinc/70/43/16/166704316.db2.gz UAGWSEUAVRIMBW-INTQDDNPSA-N 0 0 179.263 2.087 10 30 AEEERN CC1(C)[C@]2(C)CC[C@@]1(C#N)C[C@@H]2O 39281248 166704429 /nfs/dbraw/zinc/70/44/29/166704429.db2.gz UAGWSEUAVRIMBW-GDPRMGEGSA-N 0 0 179.263 2.087 10 30 AEEERN CC1=C(C(C)C)C(=O)CC1 5766042 166712528 /nfs/dbraw/zinc/71/25/28/166712528.db2.gz MZTOBWCRJYWMLL-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC1=C(C)CC(CC=O)C1 75526435 166713645 /nfs/dbraw/zinc/71/36/45/166713645.db2.gz BSMDBUVBGZNYJU-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC1=CC(=O)[C@@H]2[C@@H](C)CC[C@@H]12 196126185 166720136 /nfs/dbraw/zinc/72/01/36/166720136.db2.gz PLLWKYZJQPQVBK-KADJCCMJSA-N 0 0 150.221 2.178 10 30 AEEERN CC1=CC2=CCCC[C@H]2C1=O 39059056 166720212 /nfs/dbraw/zinc/72/02/12/166720212.db2.gz HSGDCDUSGAXMOG-SECBINFHSA-N 0 0 148.205 2.242 10 30 AEEERN CC1=CC(C)(C)[C@@H](C)C1=O 62715378 166720921 /nfs/dbraw/zinc/72/09/21/166720921.db2.gz TYIHOMSQJGCXKF-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC(=O)[C@@H]2[C@H](C)CC[C@@H]12 196126175 166721166 /nfs/dbraw/zinc/72/11/66/166721166.db2.gz PLLWKYZJQPQVBK-KDILMLJESA-N 0 0 150.221 2.178 10 30 AEEERN CC1=CCC[C@@](C)(Cl)C1=O 39125486 166722259 /nfs/dbraw/zinc/72/22/59/166722259.db2.gz QNLYGRAYYWCRKZ-MRVPVSSYSA-N 0 0 158.628 2.293 10 30 AEEERN CC1=CCCC(C)(C)C1=O 5457422 166722512 /nfs/dbraw/zinc/72/25/12/166722512.db2.gz NAXZOZQQIIMORY-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC1=CCC[C@@](C)(C=O)C1 75526471 166722539 /nfs/dbraw/zinc/72/25/39/166722539.db2.gz GBKFYIUZPUUNCX-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN CC1=CCCC(C)(C)[C@]1(O)CC=O 75576062 166723341 /nfs/dbraw/zinc/72/33/41/166723341.db2.gz MHKJELHEGGIUST-NSHDSACASA-N 0 0 182.263 2.073 10 30 AEEERN CC1=CC[C@@H](C)[C@H](C)C1=O 5735580 166724109 /nfs/dbraw/zinc/72/41/09/166724109.db2.gz QAQCUBLNHBKTRM-SVRRBLITSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CCC[C@](C)(Cl)C1=O 39125487 166724380 /nfs/dbraw/zinc/72/43/80/166724380.db2.gz QNLYGRAYYWCRKZ-QMMMGPOBSA-N 0 0 158.628 2.293 10 30 AEEERN CC1=CC[C@@H](C)[C@H](C=O)C1 4537986 166725496 /nfs/dbraw/zinc/72/54/96/166725496.db2.gz YLGCZMOAYIGIPX-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CO[C@H](C(C)C)[C@H](C)C1=O 211797929 166730662 /nfs/dbraw/zinc/73/06/62/166730662.db2.gz GWJORPKOMIUMKU-PSASIEDQSA-N 0 0 168.236 2.150 10 30 AEEERN CC1=C[C@@](C)(C=O)Oc2ccccc21 75578516 166732166 /nfs/dbraw/zinc/73/21/66/166732166.db2.gz HXNHEDGOMVOBLU-LBPRGKRZSA-N 0 0 188.226 2.440 10 30 AEEERN CC1CCC([C@H]2CO2)CC1 18851584 166746278 /nfs/dbraw/zinc/74/62/78/166746278.db2.gz VAARQPOTUNNGOG-AMDVSUOASA-N 0 0 140.226 2.212 10 30 AEEERN CC1CCC([C@@H]2CO2)CC1 18851583 166747165 /nfs/dbraw/zinc/74/71/65/166747165.db2.gz VAARQPOTUNNGOG-HACHORDNSA-N 0 0 140.226 2.212 10 30 AEEERN CCC(=O)/C=C/c1cccnc1 90412403 166755003 /nfs/dbraw/zinc/75/50/03/166755003.db2.gz ZITWIJRVWYDGRA-AATRIKPKSA-N 0 0 161.204 2.074 10 30 AEEERN CCC(=O)CC[C@@](C)(Cl)C#N 75564035 166756652 /nfs/dbraw/zinc/75/66/52/166756652.db2.gz WPUUYVJZAQVWFE-MRVPVSSYSA-N 0 0 173.643 2.267 10 30 AEEERN CCC(=O)/C=C(/C)CC 5761748 166757345 /nfs/dbraw/zinc/75/73/45/166757345.db2.gz XJEHTASYOBAEDB-SREVYHEPSA-N 0 0 126.199 2.322 10 30 AEEERN CCC(=CCC=O)CC 62715196 166757348 /nfs/dbraw/zinc/75/73/48/166757348.db2.gz QNPRRUZXYADMQK-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN CCC(=O)[C@H](C)C[C@@H](C)C#N 39385834 166773444 /nfs/dbraw/zinc/77/34/44/166773444.db2.gz SCIMGWUYBMTPNK-HTQZYQBOSA-N 0 0 153.225 2.151 10 30 AEEERN CCC(=O)[C@@H](C)C[C@@H](C)C#N 39385833 166774661 /nfs/dbraw/zinc/77/46/61/166774661.db2.gz SCIMGWUYBMTPNK-SFYZADRCSA-N 0 0 153.225 2.151 10 30 AEEERN CCC(=O)[C@H](C#N)CC(C)C 43374818 166774689 /nfs/dbraw/zinc/77/46/89/166774689.db2.gz UABGUJLBHORSLP-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN CCC(=O)c1ccc(OC)c(C#N)c1 32008165 166776367 /nfs/dbraw/zinc/77/63/67/166776367.db2.gz NHFMJYYREVAIKM-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN CCC(C#N)(CC)NC(=O)OC(C)C 44240058 166778174 /nfs/dbraw/zinc/77/81/74/166778174.db2.gz FFYNSOVZURCLDZ-UHFFFAOYSA-N 0 0 198.266 2.203 10 30 AEEERN CCC(C=O)(CC)CSC 75544773 166785256 /nfs/dbraw/zinc/78/52/56/166785256.db2.gz RJWMBGOTXITUQV-UHFFFAOYSA-N 0 0 160.282 2.355 10 30 AEEERN CCC(C)=C=CC(C)=O 39068147 166785473 /nfs/dbraw/zinc/78/54/73/166785473.db2.gz YVDLSRWLMQKOAV-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN CCC(CC)C(=O)[C@@H](C)C#N 34975737 166788267 /nfs/dbraw/zinc/78/82/67/166788267.db2.gz PNGUZHXCGJRIID-ZETCQYMHSA-N 0 0 153.225 2.151 10 30 AEEERN CCC(CC)N(C)C(=O)[C@H](C#N)CC 44823301 166791621 /nfs/dbraw/zinc/79/16/21/166791621.db2.gz MLQCWSDONXTLSG-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN CCC(CC)[C@H](C#N)NC(C)C 41049688 166799502 /nfs/dbraw/zinc/79/95/02/166799502.db2.gz PGABVWANYSZOSB-JTQLQIEISA-N 0 0 168.284 2.313 10 30 AEEERN CCC(CC)c1nc(CC#N)no1 73641337 166801284 /nfs/dbraw/zinc/80/12/84/166801284.db2.gz VVMZZIAYQJWKJF-UHFFFAOYSA-N 0 0 179.223 2.039 10 30 AEEERN CCC/C(Cl)=N/OC(=O)N(C)C 95831678 166803329 /nfs/dbraw/zinc/80/33/29/166803329.db2.gz NEZRGEOILOKAAG-TWGQIWQCSA-N 0 0 192.646 2.037 10 30 AEEERN CCC1(CC)C[C@@H](C=O)CCO1 75560149 166805913 /nfs/dbraw/zinc/80/59/13/166805913.db2.gz GPJRTVVHYBWGNH-VIFPVBQESA-N 0 0 170.252 2.171 10 30 AEEERN CCC1=C(C(C)=O)C(=O)CCC1 39072044 166810406 /nfs/dbraw/zinc/81/04/06/166810406.db2.gz MPQIFQPJHNCTIY-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN CCC1=CO[C@@](C=O)(CC)CC1 4743295 166811530 /nfs/dbraw/zinc/81/15/30/166811530.db2.gz SQZVYXOKAXPDKY-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN CCC1=C(C)CCCC1=O 62715379 166811602 /nfs/dbraw/zinc/81/16/02/166811602.db2.gz VJGBUQITVKFOCM-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CCCC(=O)[C@@H](S)CC 33605202 166832954 /nfs/dbraw/zinc/83/29/54/166832954.db2.gz FUMNWNPDMTVHCC-ZETCQYMHSA-N 0 0 146.255 2.064 10 30 AEEERN CCCC=C=CC(C)=O 39068148 166840221 /nfs/dbraw/zinc/84/02/21/166840221.db2.gz MKSKEIKQYFYEMS-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN CCCCC#Cc1cc(C)oc(=O)c1 27104135 166841740 /nfs/dbraw/zinc/84/17/40/166841740.db2.gz HKUGPUZESCIZTJ-UHFFFAOYSA-N 0 0 190.242 2.490 10 30 AEEERN CCCCC=C=CC(=O)CF 39125451 166846439 /nfs/dbraw/zinc/84/64/39/166846439.db2.gz BDCWKVCRFSBHAW-UHFFFAOYSA-N 0 0 156.200 2.109 10 30 AEEERN CCCCCC#C/C=C/C(=O)OC 38171730 166846447 /nfs/dbraw/zinc/84/64/47/166846447.db2.gz FNVRFNHQECKJHC-MDZDMXLPSA-N 0 0 180.247 2.299 10 30 AEEERN CCCCCC#C/C=C\CO 37629007 166846963 /nfs/dbraw/zinc/84/69/63/166846963.db2.gz OSEIVOVZCSBRQO-HJWRWDBZSA-N 0 0 152.237 2.119 10 30 AEEERN CCCCCC#CCC=O 34582364 166847106 /nfs/dbraw/zinc/84/71/06/166847106.db2.gz NXCFMLWEUGSRHW-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN CCCCCC#CC#CC(C)(C)O 5792229 166847254 /nfs/dbraw/zinc/84/72/54/166847254.db2.gz AVBDLOUFUYROSV-UHFFFAOYSA-N 0 0 178.275 2.344 10 30 AEEERN CCCCCC(C#N)C#N 5820163 166848858 /nfs/dbraw/zinc/84/88/58/166848858.db2.gz HMPREYSQSBAVPJ-UHFFFAOYSA-N 0 0 136.198 2.230 10 30 AEEERN CCCCCCC/C(N)=N/O 2547308 166849588 /nfs/dbraw/zinc/84/95/88/166849588.db2.gz JFADPFVOUUHJPK-UHFFFAOYSA-N 0 0 158.245 2.093 10 30 AEEERN CCCCCCC[C@H]1O[C@H]1C=O 100076037 166850237 /nfs/dbraw/zinc/85/02/37/166850237.db2.gz ZAYNCWQGQVRPDV-ZJUUUORDSA-N 0 0 170.252 2.313 10 30 AEEERN CCCCCCCOC[C@H](C)O 2569693 166850675 /nfs/dbraw/zinc/85/06/75/166850675.db2.gz IPSNMUXNVKYURH-JTQLQIEISA-N 0 0 174.284 2.354 10 30 AEEERN CCCCCCCO[N+](=O)[O-] 100108432 166851063 /nfs/dbraw/zinc/85/10/63/166851063.db2.gz JYMDZTRYDIQILZ-UHFFFAOYSA-N 0 0 161.201 2.165 10 30 AEEERN CCCCCCCCc1nc(N)n[nH]1 3723213 166851084 /nfs/dbraw/zinc/85/10/84/166851084.db2.gz XMSYXPMDBIASLP-UHFFFAOYSA-N 0 0 196.298 2.290 10 30 AEEERN CCCCCCC[C@@H](O)CCCO 100295824 166851387 /nfs/dbraw/zinc/85/13/87/166851387.db2.gz OQDSNPMZDSAHIZ-LLVKDONJSA-N 0 0 188.311 2.480 10 30 AEEERN CCCCCCOC[C@@](C)(C#N)NC 45207360 166855693 /nfs/dbraw/zinc/85/56/93/166855693.db2.gz QXJVMQGDDWBGLD-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCCCCCOC[C@](C)(C#N)NC 45207361 166855983 /nfs/dbraw/zinc/85/59/83/166855983.db2.gz QXJVMQGDDWBGLD-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCCCN(C)C(=O)[C@@H](C#N)CC 44815204 166859703 /nfs/dbraw/zinc/85/97/03/166859703.db2.gz CCVSMDLHTFBLIM-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CCCCCNC(=O)[C@H](C#N)CCC 44809624 166861949 /nfs/dbraw/zinc/86/19/49/166861949.db2.gz RYIYDQPXVRAGFS-JTQLQIEISA-N 0 0 196.294 2.233 10 30 AEEERN CCCCCOC[C@H](C#N)NCCC 45330408 166867613 /nfs/dbraw/zinc/86/76/13/166867613.db2.gz SKRWOBAGAMAGDR-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCCCOC[C@@H](C#N)NC(C)C 45330411 166869142 /nfs/dbraw/zinc/86/91/42/166869142.db2.gz SENYHZAEDMQCPY-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCCCC[C@@H]1C[C@H]1C=O 19065133 166873876 /nfs/dbraw/zinc/87/38/76/166873876.db2.gz ZZMVTAVCGXMGDH-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN CCCCC[C@@H]1O[C@@H]1C 5821053 166873907 /nfs/dbraw/zinc/87/39/07/166873907.db2.gz SNAUWGUVQBOHMZ-SFYZADRCSA-N 0 0 128.215 2.354 10 30 AEEERN CCCCC[C@@]1(C)CO1 32230195 166874289 /nfs/dbraw/zinc/87/42/89/166874289.db2.gz SMSAOBIPMBKJOU-QMMMGPOBSA-N 0 0 128.215 2.356 10 30 AEEERN CCCCC[C@H](C)N[C@@H](C)C#N 43515381 166874376 /nfs/dbraw/zinc/87/43/76/166874376.db2.gz JLENNJBEOCWEDP-UWVGGRQHSA-N 0 0 168.284 2.457 10 30 AEEERN CCCCC[C@H]1O[C@H]1C 5820922 166876971 /nfs/dbraw/zinc/87/69/71/166876971.db2.gz SNAUWGUVQBOHMZ-JGVFFNPUSA-N 0 0 128.215 2.354 10 30 AEEERN CCCCOCCCC#N 34545610 166905769 /nfs/dbraw/zinc/90/57/69/166905769.db2.gz LHVKGJJEENJWLC-UHFFFAOYSA-N 0 0 141.214 2.107 10 30 AEEERN CCCCOCCCC[C@@](C)(N)C#N 45330265 166905792 /nfs/dbraw/zinc/90/57/92/166905792.db2.gz UCCGTUHEMPAAOH-LLVKDONJSA-N 0 0 198.310 2.214 10 30 AEEERN CCCC[C@@H](C#N)N(CC)CC 41053496 166912107 /nfs/dbraw/zinc/91/21/07/166912107.db2.gz CFARCVWSLVRDAB-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN CCCC[C@@H](C#N)NC(C)C 41053208 166912450 /nfs/dbraw/zinc/91/24/50/166912450.db2.gz QCICSVLSIAZRPS-VIFPVBQESA-N 0 0 154.257 2.067 10 30 AEEERN CCCC[C@@H](C)C#N 38350006 166912820 /nfs/dbraw/zinc/91/28/20/166912820.db2.gz PZYFAYMXLISRGL-SSDOTTSWSA-N 0 0 111.188 2.336 10 30 AEEERN CCCC[C@@H](CC=O)SC 95618236 166918107 /nfs/dbraw/zinc/91/81/07/166918107.db2.gz RQOSXGWCILNIKB-QMMMGPOBSA-N 0 0 160.282 2.497 10 30 endogenous,in-man AEEERN CCCC[C@@]1(CC)CO1 39270600 166922029 /nfs/dbraw/zinc/92/20/29/166922029.db2.gz UKISJAFVMIUTPT-QMMMGPOBSA-N 0 0 128.215 2.356 10 30 AEEERN CCCC[C@H](C)C=O 5821996 166922087 /nfs/dbraw/zinc/92/20/87/166922087.db2.gz BHVGMUDWABJNRC-ZETCQYMHSA-N 0 0 114.188 2.012 10 30 endogenous,in-man AEEERN CCCC[C@H](C)CC=O 5821998 166922172 /nfs/dbraw/zinc/92/21/72/166922172.db2.gz KKFRYFDYAVLCHJ-QMMMGPOBSA-N 0 0 128.215 2.402 10 30 AEEERN CCCC[C@H](C)C#N 2578917 166923045 /nfs/dbraw/zinc/92/30/45/166923045.db2.gz PZYFAYMXLISRGL-ZETCQYMHSA-N 0 0 111.188 2.336 10 30 AEEERN CCCC[C@H](CC=O)SC 95618237 166926485 /nfs/dbraw/zinc/92/64/85/166926485.db2.gz RQOSXGWCILNIKB-MRVPVSSYSA-N 0 0 160.282 2.497 10 30 endogenous,in-man AEEERN CCCC[C@](C)(CCC=O)[N+](=O)[O-] 26492759 166928579 /nfs/dbraw/zinc/92/85/79/166928579.db2.gz CTKAFKBPPQBDHQ-SECBINFHSA-N 0 0 187.239 2.191 10 30 AEEERN CCCN(C(=O)C(C)(C)C#N)C(C)C 44752525 166935867 /nfs/dbraw/zinc/93/58/67/166935867.db2.gz KDBHANMQJXRYGW-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN CCCN(CC)C(=O)[C@@H](C#N)C(C)C 44814966 166947520 /nfs/dbraw/zinc/94/75/20/166947520.db2.gz YQYJLJROJCKZKK-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN CCCN(CC#N)Cc1ccc(C)o1 45092548 166947523 /nfs/dbraw/zinc/94/75/23/166947523.db2.gz CJJQIZVZNSRWCS-UHFFFAOYSA-N 0 0 192.262 2.324 10 30 AEEERN CCCN(CC#N)C(=O)OCC(C)C 44379564 166948734 /nfs/dbraw/zinc/94/87/34/166948734.db2.gz NLJDNXJDXBOJPD-UHFFFAOYSA-N 0 0 198.266 2.015 10 30 AEEERN C[C@@H](NC(=O)C(C)(C)C#N)C(C)(C)C 133840308 343928277 /nfs/dbraw/zinc/92/82/77/343928277.db2.gz HBYHQKQUIBIHGH-MRVPVSSYSA-N 0 0 196.294 2.087 10 30 AEEERN CCCN(CC)[C@H](C#N)CC 43556242 166952047 /nfs/dbraw/zinc/95/20/47/166952047.db2.gz GRIRINCPIQVGKU-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN CCCN[C@H](C#N)c1ccc(F)cc1 19988792 166997580 /nfs/dbraw/zinc/99/75/80/166997580.db2.gz GPFGICIDGQAACC-LLVKDONJSA-N 0 0 192.237 2.390 10 30 AEEERN CCCN[C@H](C#N)c1cccc(F)c1 20380643 166997588 /nfs/dbraw/zinc/99/75/88/166997588.db2.gz NODIHMCAJWEJTN-LLVKDONJSA-N 0 0 192.237 2.390 10 30 AEEERN CCCN[C@H](C#N)CSC(C)C 45366299 166997603 /nfs/dbraw/zinc/99/76/03/166997603.db2.gz DBUBSKKOVRWUGA-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN CCCN[C@@](C)(C#N)CCC 34939500 166998325 /nfs/dbraw/zinc/99/83/25/166998325.db2.gz QKGKAEPPPGGVNW-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN CCCN[C@H](C#N)c1ccccc1F 19988399 166998560 /nfs/dbraw/zinc/99/85/60/166998560.db2.gz HDQNIWLFEZSEMD-LLVKDONJSA-N 0 0 192.237 2.390 10 30 AEEERN CCCN[C@@](C)(C#N)CO[C@@H](C)CC 45213930 166998661 /nfs/dbraw/zinc/99/86/61/166998661.db2.gz YNBVLLSYMQFDBZ-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN CCCN[C@](C)(C#N)CCCOCC 45326752 167002018 /nfs/dbraw/zinc/00/20/18/167002018.db2.gz AQMTXCYHFRTJTR-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCN[C@](C)(C#N)CCCCOC 45326630 167002117 /nfs/dbraw/zinc/00/21/17/167002117.db2.gz OPYUFAMKXCPSJJ-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCN[C@](C)(C#N)CCC 34939499 167002249 /nfs/dbraw/zinc/00/22/49/167002249.db2.gz QKGKAEPPPGGVNW-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN CCCN[C@](C)(C#N)COC(C)(C)C 45207666 167002544 /nfs/dbraw/zinc/00/25/44/167002544.db2.gz VDXQRDAFUCJNQI-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCCN[C@](C)(C#N)CO[C@@H](C)CC 45213927 167002651 /nfs/dbraw/zinc/00/26/51/167002651.db2.gz YNBVLLSYMQFDBZ-WDEREUQCSA-N 0 0 198.310 2.083 10 30 AEEERN CCCN[C@](C)(C#N)C1CCCC1 54081673 167003262 /nfs/dbraw/zinc/00/32/62/167003262.db2.gz UUJCFOVXDYBYFE-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN CCCN[C@](C)(C#N)CC(C)C 34939505 167003515 /nfs/dbraw/zinc/00/35/15/167003515.db2.gz WEIAKXISMOYSDN-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN CCCN[C@](C)(C#N)CSCC 45216774 167003625 /nfs/dbraw/zinc/00/36/25/167003625.db2.gz GGEIVYDHBJTQIN-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CCCN[C@](C)(C#N)CCSC 45220401 167003713 /nfs/dbraw/zinc/00/37/13/167003713.db2.gz GVZPNPXWVTWJPW-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCCN[C@](C)(C#N)CO[C@H](C)CC 45213933 167004099 /nfs/dbraw/zinc/00/40/99/167004099.db2.gz YNBVLLSYMQFDBZ-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN CCCN[C@](C)(C#N)CCOC(C)C 45208284 167004138 /nfs/dbraw/zinc/00/41/38/167004138.db2.gz DBXXOFCEARIZGE-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CCCN[C@]1(C#N)CCC[C@H](C)C1 34939510 167004755 /nfs/dbraw/zinc/00/47/55/167004755.db2.gz FBOFMBLLFPQLNW-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN CCCNc1[nH]c(C)c(C)c1C#N 83340316 167005002 /nfs/dbraw/zinc/00/50/02/167005002.db2.gz UUFSQPNNKJHKGZ-UHFFFAOYSA-N 0 0 177.251 2.325 10 30 AEEERN CCCNc1ccc(C#N)c(C#N)c1 83341057 167005216 /nfs/dbraw/zinc/00/52/16/167005216.db2.gz SDCASXCQRCSBDR-UHFFFAOYSA-N 0 0 185.230 2.252 10 30 AEEERN CCCN[C@]1(C#N)CCCC[C@H]1C 34939516 167005229 /nfs/dbraw/zinc/00/52/29/167005229.db2.gz MTTWEBFJIQXLLX-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CCCNc1cccc(C#N)c1 19922353 167005356 /nfs/dbraw/zinc/00/53/56/167005356.db2.gz CHFVKJFEHFFWMO-UHFFFAOYSA-N 0 0 160.220 2.380 10 30 AEEERN CCCN[C@]1(C#N)CCCC[C@@H]1C 34939514 167006477 /nfs/dbraw/zinc/00/64/77/167006477.db2.gz MTTWEBFJIQXLLX-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CCCN[C@]1(C#N)CCC[C@@H](C)C1 34939512 167006538 /nfs/dbraw/zinc/00/65/38/167006538.db2.gz FBOFMBLLFPQLNW-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CCCNc1ncc(C)cc1C#N 54159005 167008064 /nfs/dbraw/zinc/00/80/64/167008064.db2.gz JTFPKEYSGPYMFD-UHFFFAOYSA-N 0 0 175.235 2.084 10 30 AEEERN CCCO/N=C/c1ccncc1C 33957190 167008344 /nfs/dbraw/zinc/00/83/44/167008344.db2.gz NNVOOEWCAJPLDM-XYOKQWHBSA-N 0 0 178.235 2.151 10 30 AEEERN CCCNc1nc(C)ccc1C#N 43395383 167008515 /nfs/dbraw/zinc/00/85/15/167008515.db2.gz WLVYKFXRHRWXDS-UHFFFAOYSA-N 0 0 175.235 2.084 10 30 AEEERN CCCNc1sccc1C#N 62796995 167008559 /nfs/dbraw/zinc/00/85/59/167008559.db2.gz RBSWSJRZTDBHGV-UHFFFAOYSA-N 0 0 166.249 2.442 10 30 AEEERN CCCNc1nc(C)c(C)cc1C#N 50871755 167008590 /nfs/dbraw/zinc/00/85/90/167008590.db2.gz NKKYABWWHFYPJX-UHFFFAOYSA-N 0 0 189.262 2.392 10 30 AEEERN CCCNc1ncc(CC)cc1C#N 54159078 167008732 /nfs/dbraw/zinc/00/87/32/167008732.db2.gz KMMCOQIKONNVHT-UHFFFAOYSA-N 0 0 189.262 2.338 10 30 AEEERN CCCOCCCC[C@](C)(C#N)NC 45330172 167013205 /nfs/dbraw/zinc/01/32/05/167013205.db2.gz CCVIJZJQACYKHD-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCCOCCCC[C@@](C)(C#N)NC 45330169 167013549 /nfs/dbraw/zinc/01/35/49/167013549.db2.gz CCVIJZJQACYKHD-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCOCc1cccc(C#N)c1 37025409 167013685 /nfs/dbraw/zinc/01/36/85/167013685.db2.gz NKAPQNQRFUTTTE-UHFFFAOYSA-N 0 0 175.231 2.485 10 30 AEEERN CCCOCCC[C@@](C)(C#N)NCC 45330242 167013831 /nfs/dbraw/zinc/01/38/31/167013831.db2.gz YTTZJQDVCISQMX-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCOCCC[C@](C)(C#N)NCC 45330244 167013960 /nfs/dbraw/zinc/01/39/60/167013960.db2.gz YTTZJQDVCISQMX-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCCOCC[C@](C)(C#N)NC(C)C 45213407 167013987 /nfs/dbraw/zinc/01/39/87/167013987.db2.gz XSEOQTAXMGUEFR-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCCOCCCCC#N 49579579 167014535 /nfs/dbraw/zinc/01/45/35/167014535.db2.gz MQMBZUFKQJEKOY-UHFFFAOYSA-N 0 0 141.214 2.107 10 30 AEEERN CCCOCC[C@@](C)(C#N)NC(C)C 45213404 167015020 /nfs/dbraw/zinc/01/50/20/167015020.db2.gz XSEOQTAXMGUEFR-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CCCOCc1ccc(C#N)cc1 37025440 167015110 /nfs/dbraw/zinc/01/51/10/167015110.db2.gz SXVSUHOMNRJVJA-UHFFFAOYSA-N 0 0 175.231 2.485 10 30 AEEERN CCCOCc1ccccc1C#N 37025446 167015529 /nfs/dbraw/zinc/01/55/29/167015529.db2.gz BJOJKDALAWLQII-UHFFFAOYSA-N 0 0 175.231 2.485 10 30 AEEERN CCCOc1c(C#N)cccc1OC 11952095 167017444 /nfs/dbraw/zinc/01/74/44/167017444.db2.gz AQVPWWOGBSDIGX-UHFFFAOYSA-N 0 0 191.230 2.356 10 30 AEEERN CCCOc1ccc(OCC#N)cc1 26516438 167018372 /nfs/dbraw/zinc/01/83/72/167018372.db2.gz CLODCSFEFNJNCQ-UHFFFAOYSA-N 0 0 191.230 2.378 10 30 AEEERN CCCOc1cccc(CC=O)c1 75420953 167018664 /nfs/dbraw/zinc/01/86/64/167018664.db2.gz CHCSUSGUYZDZPI-UHFFFAOYSA-N 0 0 178.231 2.217 10 30 AEEERN CCCOc1ccc(O)cc1C#N 34087322 167018859 /nfs/dbraw/zinc/01/88/59/167018859.db2.gz RLBDMUPYOUYNOS-UHFFFAOYSA-N 0 0 177.203 2.053 10 30 AEEERN CCCOc1ccc(OCC=O)cc1 43803735 167018950 /nfs/dbraw/zinc/01/89/50/167018950.db2.gz GKRASQGPEXLCNF-UHFFFAOYSA-N 0 0 194.230 2.053 10 30 AEEERN CCCOc1ccc(N/C=N/O)cc1 26752530 167019158 /nfs/dbraw/zinc/01/91/58/167019158.db2.gz XTFQDUYGGZGGLW-UHFFFAOYSA-N 0 0 194.234 2.305 10 30 AEEERN CCCOc1ccc(/C=N\O)cc1 96901477 167019313 /nfs/dbraw/zinc/01/93/13/167019313.db2.gz PGAYBBCKROPVLT-FLIBITNWSA-N 0 0 179.219 2.284 10 30 AEEERN CCCOc1cccc(C#CC=O)c1 75420883 167019569 /nfs/dbraw/zinc/01/95/69/167019569.db2.gz CEAPCNRBHXPZOA-UHFFFAOYSA-N 0 0 188.226 2.026 10 30 AEEERN CCCOc1ccc(NCC#N)cc1 51786067 167019991 /nfs/dbraw/zinc/01/99/91/167019991.db2.gz HIJUTRYILBZCOY-UHFFFAOYSA-N 0 0 190.246 2.411 10 30 AEEERN CCCOc1ccccc1OCC=O 43803690 167020604 /nfs/dbraw/zinc/02/06/04/167020604.db2.gz JAUJRDKMWJBFAC-UHFFFAOYSA-N 0 0 194.230 2.053 10 30 AEEERN CCCOc1nc(C)cc(C)c1C#N 40509203 167021100 /nfs/dbraw/zinc/02/11/00/167021100.db2.gz LJAOSANJPSSADM-UHFFFAOYSA-N 0 0 190.246 2.359 10 30 AEEERN CCCOc1ccccc1OCC#N 19423566 167022571 /nfs/dbraw/zinc/02/25/71/167022571.db2.gz QLVBATHGEIEJNC-UHFFFAOYSA-N 0 0 191.230 2.378 10 30 AEEERN CCCOc1nc(C)ccc1C#N 43400504 167022756 /nfs/dbraw/zinc/02/27/56/167022756.db2.gz WDARLTBANISSGA-UHFFFAOYSA-N 0 0 176.219 2.051 10 30 AEEERN CCCOc1cc[nH]c(=S)c1C#N 44551991 167022767 /nfs/dbraw/zinc/02/27/67/167022767.db2.gz YRXWMDZWVLJHPF-UHFFFAOYSA-N 0 0 194.259 2.031 10 30 AEEERN CCCSCCC[C@@](C)(N)C#N 45333649 167023046 /nfs/dbraw/zinc/02/30/46/167023046.db2.gz IJALIPJKFZGJPZ-SECBINFHSA-N 0 0 186.324 2.151 10 30 AEEERN CCCSCCC#N 19870241 167023335 /nfs/dbraw/zinc/02/33/35/167023335.db2.gz LJMRNIWYGSYMSF-UHFFFAOYSA-N 0 0 129.228 2.043 10 30 AEEERN CCCSC[C@@H](C)C#N 36677332 167023417 /nfs/dbraw/zinc/02/34/17/167023417.db2.gz XITNQOARULNIEA-ZETCQYMHSA-N 0 0 143.255 2.289 10 30 AEEERN CCCSC[C@](C)(C#N)NCC 45217114 167023594 /nfs/dbraw/zinc/02/35/94/167023594.db2.gz OKUVMUYBBPUYQW-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCCSC[C@](C)(C#N)NC1CC1 45217130 167023766 /nfs/dbraw/zinc/02/37/66/167023766.db2.gz UVPZSZXXCYMFOH-JTQLQIEISA-N 0 0 198.335 2.164 10 30 AEEERN CCCS[C@H](C)CC#N 48247792 167023859 /nfs/dbraw/zinc/02/38/59/167023859.db2.gz RTZWCLTZGQLFCW-SSDOTTSWSA-N 0 0 143.255 2.432 10 30 AEEERN CCCS[C@@H](C)CC#N 48247790 167023932 /nfs/dbraw/zinc/02/39/32/167023932.db2.gz RTZWCLTZGQLFCW-ZETCQYMHSA-N 0 0 143.255 2.432 10 30 AEEERN CCCS[C@H](C#N)CC 43557602 167023934 /nfs/dbraw/zinc/02/39/34/167023934.db2.gz OZAUHPDJQLDOSV-ZETCQYMHSA-N 0 0 143.255 2.432 10 30 AEEERN CCCSC(C)(C)C=O 34075500 167023976 /nfs/dbraw/zinc/02/39/76/167023976.db2.gz XVFRGXVASKFOEB-UHFFFAOYSA-N 0 0 146.255 2.107 10 30 AEEERN CCCSC#CC(F)F 3189196 167024042 /nfs/dbraw/zinc/02/40/42/167024042.db2.gz NKDYFHNFEZRMGN-UHFFFAOYSA-N 0 0 150.193 2.356 10 30 AEEERN CCCSCCCS 43220945 167024210 /nfs/dbraw/zinc/02/42/10/167024210.db2.gz DWKUCGVJAUKGCG-UHFFFAOYSA-N 0 0 150.312 2.450 10 30 AEEERN CCCSCCS 32163191 167024277 /nfs/dbraw/zinc/02/42/77/167024277.db2.gz ZTLMBCCGUMJDFH-UHFFFAOYSA-N 0 0 136.285 2.059 10 30 AEEERN CCCSC[C@H](C)C#N 36677333 167024476 /nfs/dbraw/zinc/02/44/76/167024476.db2.gz XITNQOARULNIEA-SSDOTTSWSA-N 0 0 143.255 2.289 10 30 AEEERN CCCSCCCC/C(N)=N\O 49580564 167024538 /nfs/dbraw/zinc/02/45/38/167024538.db2.gz ZAJKKCPPZKZMLD-UHFFFAOYSA-N 0 0 190.312 2.046 10 30 AEEERN CCCSC[C@@H](C#N)NC(C)C 45333644 167024618 /nfs/dbraw/zinc/02/46/18/167024618.db2.gz OASPSONKWWHIMM-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN CCCSCCC[C@](C)(N)C#N 45333648 167024682 /nfs/dbraw/zinc/02/46/82/167024682.db2.gz IJALIPJKFZGJPZ-VIFPVBQESA-N 0 0 186.324 2.151 10 30 AEEERN CCCSC[C@@](C)(C#N)NCC 45217112 167024799 /nfs/dbraw/zinc/02/47/99/167024799.db2.gz OKUVMUYBBPUYQW-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CCCSCC[C@@](C)(C#N)NC 45217167 167024813 /nfs/dbraw/zinc/02/48/13/167024813.db2.gz LONJIYDKUZVIRO-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCCSCC[C@](C)(C#N)NC 45217169 167024888 /nfs/dbraw/zinc/02/48/88/167024888.db2.gz LONJIYDKUZVIRO-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CCCSC[C@@](C)(C#N)NC1CC1 45217127 167024894 /nfs/dbraw/zinc/02/48/94/167024894.db2.gz UVPZSZXXCYMFOH-SNVBAGLBSA-N 0 0 198.335 2.164 10 30 AEEERN CCCS[C@@H](C#N)CC 43557604 167025076 /nfs/dbraw/zinc/02/50/76/167025076.db2.gz OZAUHPDJQLDOSV-SSDOTTSWSA-N 0 0 143.255 2.432 10 30 AEEERN CCC[C@@H](C#N)C(=O)N(CC)C(C)C 44814873 167025592 /nfs/dbraw/zinc/02/55/92/167025592.db2.gz DUBIVGCSUCXEKC-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@@H](C#N)CC 21988615 167025676 /nfs/dbraw/zinc/02/56/76/167025676.db2.gz WEZFYBVBPAUJAL-ZETCQYMHSA-N 0 0 111.188 2.336 10 30 AEEERN CCC[C@@H](C#N)C(=O)N(C)CC(C)C 44815051 167025805 /nfs/dbraw/zinc/02/58/05/167025805.db2.gz FAAHZWKGAKFZQX-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN CCCSc1ncccc1C#N 19870141 167025878 /nfs/dbraw/zinc/02/58/78/167025878.db2.gz NKEGTIFGHDXJJX-UHFFFAOYSA-N 0 0 178.260 2.455 10 30 AEEERN CCC[C@@H](C#N)NC1CCCC1 37968510 167025907 /nfs/dbraw/zinc/02/59/07/167025907.db2.gz KNKCXTRCSYNOBJ-JTQLQIEISA-N 0 0 166.268 2.211 10 30 AEEERN CCC[C@@H](C#N)c1ccccn1 75544687 167026093 /nfs/dbraw/zinc/02/60/93/167026093.db2.gz HVRYASGJCWDMMC-VIFPVBQESA-N 0 0 160.220 2.489 10 30 AEEERN CCC[C@@H](C#N)C(=O)NCCC(C)C 44809813 167026099 /nfs/dbraw/zinc/02/60/99/167026099.db2.gz IFTOZWHKTHNLTN-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN CCC[C@@H](C#N)C(=O)N(CC)CCC 44814962 167026175 /nfs/dbraw/zinc/02/61/75/167026175.db2.gz GHQIMTYWHWHYBM-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN CCC[C@@H](C)C(=O)N(CC#N)CCC 45092353 167026186 /nfs/dbraw/zinc/02/61/86/167026186.db2.gz QMKSXZGZGISGEG-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CCC[C@@H](C#N)N1CCCCC1 37355667 167026201 /nfs/dbraw/zinc/02/62/01/167026201.db2.gz GLDXLIICWBJXIG-JTQLQIEISA-N 0 0 166.268 2.165 10 30 AEEERN CCC[C@@H](C#N)C(=O)NCC(C)(C)C 44823979 167026677 /nfs/dbraw/zinc/02/66/77/167026677.db2.gz ZVVMMKOCFJSLAT-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN CCC[C@@H](C#N)c1ccncc1 75544690 167026816 /nfs/dbraw/zinc/02/68/16/167026816.db2.gz NOPMRMHNTMIPNC-JTQLQIEISA-N 0 0 160.220 2.489 10 30 AEEERN CCC[C@@H](C#N)C(=O)N(C)[C@@H](C)CC 44815079 167026835 /nfs/dbraw/zinc/02/68/35/167026835.db2.gz GADJXQKWGKOSJN-UWVGGRQHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@@H](C#N)C(=O)NC(CC)CC 44808822 167026939 /nfs/dbraw/zinc/02/69/39/167026939.db2.gz YQSGELDSTONQHP-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@@H](C#N)C(=O)N[C@H](C)C(C)C 44814487 167026948 /nfs/dbraw/zinc/02/69/48/167026948.db2.gz XDPCORIGXVHBGY-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@@H](C#N)C(=O)N(C)[C@H](C)CC 44815083 167026975 /nfs/dbraw/zinc/02/69/75/167026975.db2.gz GADJXQKWGKOSJN-ZJUUUORDSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@@H](C#N)C(=O)NC(C)(C)CC 44808650 167027040 /nfs/dbraw/zinc/02/70/40/167027040.db2.gz BFXRHGOYNYJQLN-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN CCCSc1ncc(N)cc1C#N 37759435 167027235 /nfs/dbraw/zinc/02/72/35/167027235.db2.gz KVYRLQALODYHKE-UHFFFAOYSA-N 0 0 193.275 2.038 10 30 AEEERN CCC[C@@H](C#N)C(=O)N[C@H](C)CCC 44809193 167027401 /nfs/dbraw/zinc/02/74/01/167027401.db2.gz LCHGVVIAHICPHR-ZJUUUORDSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@@H](C#N)NCc1ccccc1 34599544 167027749 /nfs/dbraw/zinc/02/77/49/167027749.db2.gz VGIYRJCPDZYYLM-LBPRGKRZSA-N 0 0 188.274 2.468 10 30 AEEERN CCC[C@@H](C#N)C(=O)N[C@@H](C)C(C)C 44814483 167027936 /nfs/dbraw/zinc/02/79/36/167027936.db2.gz XDPCORIGXVHBGY-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@@H](C)CC(C#N)C#N 44250324 167028712 /nfs/dbraw/zinc/02/87/12/167028712.db2.gz SBDXQMYOMORLTL-MRVPVSSYSA-N 0 0 150.225 2.476 10 30 AEEERN CCC[C@@H](C)C(=O)[C@H](C)C#N 36931558 167028930 /nfs/dbraw/zinc/02/89/30/167028930.db2.gz XDIQKJNXWLMDPR-HTQZYQBOSA-N 0 0 153.225 2.151 10 30 AEEERN CCC[C@@H](C)CN(C)[C@@H](C)C#N 51320479 167028954 /nfs/dbraw/zinc/02/89/54/167028954.db2.gz QFSZAVADOQBDAO-ZJUUUORDSA-N 0 0 168.284 2.266 10 30 AEEERN CCC[C@@H](C)C(=O)[C@@H](C)C#N 36931556 167029528 /nfs/dbraw/zinc/02/95/28/167029528.db2.gz XDIQKJNXWLMDPR-SFYZADRCSA-N 0 0 153.225 2.151 10 30 AEEERN CCC[C@@H](C)CCC=O 34157164 167029603 /nfs/dbraw/zinc/02/96/03/167029603.db2.gz KQXBFBQRLHMLIS-MRVPVSSYSA-N 0 0 128.215 2.402 10 30 AEEERN CCC[C@@H](C)CN(CC)CC#N 51320472 167030466 /nfs/dbraw/zinc/03/04/66/167030466.db2.gz GJHGMGWIWUNDKL-SNVBAGLBSA-N 0 0 168.284 2.268 10 30 AEEERN CCC[C@@H](C)NC(=O)[C@H](C#N)C(C)C 44809199 167031860 /nfs/dbraw/zinc/03/18/60/167031860.db2.gz ZZGOAUCQJNLCJB-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@@H](C)NC(=O)[C@@H](C#N)C(C)C 44809197 167032952 /nfs/dbraw/zinc/03/29/52/167032952.db2.gz ZZGOAUCQJNLCJB-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@@H](C)N(C)[C@@H](C)C#N 43521974 167033434 /nfs/dbraw/zinc/03/34/34/167033434.db2.gz RTEOOFVZTXVCHP-BDAKNGLRSA-N 0 0 154.257 2.019 10 30 AEEERN CCC[C@@H](C)NC(=O)[C@@H](C#N)CCC 44809195 167033544 /nfs/dbraw/zinc/03/35/44/167033544.db2.gz LCHGVVIAHICPHR-NXEZZACHSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@@H](C)[C@@H](C#N)NCC1CC1 49953594 167035378 /nfs/dbraw/zinc/03/53/78/167035378.db2.gz AEYBKTJGWIQSNF-MWLCHTKSSA-N 0 0 180.295 2.314 10 30 AEEERN CCC[C@@H](C)[C@@H](C#N)NC1CC1 49953378 167036012 /nfs/dbraw/zinc/03/60/12/167036012.db2.gz WLXZJNUOBYMQEK-PSASIEDQSA-N 0 0 166.268 2.067 10 30 AEEERN CCC[C@@H](C)N[C@H](C#N)CC 43539106 167036337 /nfs/dbraw/zinc/03/63/37/167036337.db2.gz RGLDZAYUQDNGIH-BDAKNGLRSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@@H](C)[C@@H](C#N)N1CCCC1 49954323 167036384 /nfs/dbraw/zinc/03/63/84/167036384.db2.gz DPCGGKYXOZGWPY-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@@H](C)N[C@@H](C#N)CC 43539108 167036775 /nfs/dbraw/zinc/03/67/75/167036775.db2.gz RGLDZAYUQDNGIH-RKDXNWHRSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@@H](C)[C@@H](C#N)NC(C)C 49953374 167037262 /nfs/dbraw/zinc/03/72/62/167037262.db2.gz FXYIFAPUMQFDHL-NXEZZACHSA-N 0 0 168.284 2.313 10 30 AEEERN CCC[C@@H](C)[C@H](C#N)NCC1CC1 49953596 167037655 /nfs/dbraw/zinc/03/76/55/167037655.db2.gz AEYBKTJGWIQSNF-KOLCDFICSA-N 0 0 180.295 2.314 10 30 AEEERN CCC[C@@H](C=O)CC 5841672 167038760 /nfs/dbraw/zinc/03/87/60/167038760.db2.gz OZGRFPZYTKHWMZ-ZETCQYMHSA-N 0 0 114.188 2.012 10 30 AEEERN CCC[C@@H](C)[C@H](C#N)N1CCCC1 49954325 167039514 /nfs/dbraw/zinc/03/95/14/167039514.db2.gz DPCGGKYXOZGWPY-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@@H](C)[C@H](C#N)NC(C)C 49953376 167039798 /nfs/dbraw/zinc/03/97/98/167039798.db2.gz FXYIFAPUMQFDHL-ZJUUUORDSA-N 0 0 168.284 2.313 10 30 AEEERN CCC[C@@H](C)[C@H](C#N)NC1CC1 49953380 167039934 /nfs/dbraw/zinc/03/99/34/167039934.db2.gz WLXZJNUOBYMQEK-SCZZXKLOSA-N 0 0 166.268 2.067 10 30 AEEERN CCC[C@@H](CC)N[C@H](C#N)CC 50403498 167040770 /nfs/dbraw/zinc/04/07/70/167040770.db2.gz HTVAKTVEGZPAST-ZJUUUORDSA-N 0 0 168.284 2.457 10 30 AEEERN CCC[C@@H](CC)N[C@@H](C#N)CC 50403502 167041238 /nfs/dbraw/zinc/04/12/38/167041238.db2.gz HTVAKTVEGZPAST-NXEZZACHSA-N 0 0 168.284 2.457 10 30 AEEERN CCC[C@@H](CC)N[C@H](C)C#N 50403530 167041545 /nfs/dbraw/zinc/04/15/45/167041545.db2.gz BSFUNOWDSXBYDP-RKDXNWHRSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@@H](CC)N[C@@H](C)C#N 50403526 167043005 /nfs/dbraw/zinc/04/30/05/167043005.db2.gz BSFUNOWDSXBYDP-DTWKUNHWSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@@H](S)CCOC 33637748 167050561 /nfs/dbraw/zinc/05/05/61/167050561.db2.gz GTDLILFCRHJTRW-SSDOTTSWSA-N 0 0 148.271 2.121 10 30 AEEERN CCC[C@@H]1CCC(=O)C=C1OC 39119341 167054046 /nfs/dbraw/zinc/05/40/46/167054046.db2.gz XGFWMGORLNYQKC-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN CCC[C@@H]1CCC(OC)=CC1=O 39119305 167054111 /nfs/dbraw/zinc/05/41/11/167054111.db2.gz BKWZIOZBIDUSBE-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN CCC[C@@](C)(CC)OC(=O)CC#N 95934074 167054931 /nfs/dbraw/zinc/05/49/31/167054931.db2.gz USXUWOAOFXGIJL-SNVBAGLBSA-N 0 0 183.251 2.412 10 30 AEEERN CCC[C@@](C)(C#N)NCC(F)(F)F 37971142 167055038 /nfs/dbraw/zinc/05/50/38/167055038.db2.gz RIQMQWIPBJHIEE-ZETCQYMHSA-N 0 0 194.200 2.221 10 30 AEEERN CCC[C@@](C)(C#N)NC(C)C 36924635 167055225 /nfs/dbraw/zinc/05/52/25/167055225.db2.gz PXBUWYNCFLTFTE-VIFPVBQESA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@@H]1O[C@@H]1CCC 16975879 167055535 /nfs/dbraw/zinc/05/55/35/167055535.db2.gz OAPBFTJGJWJJTR-OCAPTIKFSA-N 0 0 128.215 2.354 10 30 AEEERN CCC[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C=O 5840008 167055712 /nfs/dbraw/zinc/05/57/12/167055712.db2.gz RPJGEHBYOXRURE-YTWAJWBKSA-N 0 0 164.248 2.424 10 30 AEEERN CCC[C@@H]1O[C@H]1CCC 1555965 167055934 /nfs/dbraw/zinc/05/59/34/167055934.db2.gz OAPBFTJGJWJJTR-YUMQZZPRSA-N 0 0 128.215 2.354 10 30 AEEERN CCC[C@@](C)(C#N)N1CCCC1 37355575 167056023 /nfs/dbraw/zinc/05/60/23/167056023.db2.gz NGVQFNPCPHADPN-JTQLQIEISA-N 0 0 166.268 2.165 10 30 AEEERN CCC[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C=O 2534691 167056370 /nfs/dbraw/zinc/05/63/70/167056370.db2.gz RPJGEHBYOXRURE-ZDCRXTMVSA-N 0 0 164.248 2.424 10 30 AEEERN CCC[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C=O 104371284 167056676 /nfs/dbraw/zinc/05/66/76/167056676.db2.gz RPJGEHBYOXRURE-LNFKQOIKSA-N 0 0 164.248 2.424 10 30 AEEERN CCC[C@@](C)(C#N)CC(=O)OCC 5649417 167056743 /nfs/dbraw/zinc/05/67/43/167056743.db2.gz UTOAELRMKPMVLE-SNVBAGLBSA-N 0 0 183.251 2.270 10 30 AEEERN CCC[C@H](C#N)C(=O)NCC(C)(C)C 44823980 167061229 /nfs/dbraw/zinc/06/12/29/167061229.db2.gz ZVVMMKOCFJSLAT-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN CCC[C@H](C#N)C(=O)N(CC)CCC 44814964 167061320 /nfs/dbraw/zinc/06/13/20/167061320.db2.gz GHQIMTYWHWHYBM-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CCC[C@H](C#N)C(=O)N(CC)C(C)C 44814875 167061389 /nfs/dbraw/zinc/06/13/89/167061389.db2.gz DUBIVGCSUCXEKC-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@H](C#N)c1ccncc1 75544694 167061517 /nfs/dbraw/zinc/06/15/17/167061517.db2.gz NOPMRMHNTMIPNC-SNVBAGLBSA-N 0 0 160.220 2.489 10 30 AEEERN CCC[C@H](C#N)c1ccccn1 75544689 167061552 /nfs/dbraw/zinc/06/15/52/167061552.db2.gz HVRYASGJCWDMMC-SECBINFHSA-N 0 0 160.220 2.489 10 30 AEEERN CCC[C@H](C#N)C(=O)NC(C)(C)CC 44808651 167061681 /nfs/dbraw/zinc/06/16/81/167061681.db2.gz BFXRHGOYNYJQLN-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@H](C#N)N1CCCCC1 37355668 167061723 /nfs/dbraw/zinc/06/17/23/167061723.db2.gz GLDXLIICWBJXIG-SNVBAGLBSA-N 0 0 166.268 2.165 10 30 AEEERN CCC[C@H](C#N)C(=O)N[C@H](C)C(C)C 44814489 167061973 /nfs/dbraw/zinc/06/19/73/167061973.db2.gz XDPCORIGXVHBGY-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@H](C#N)C(=O)N(C)[C@H](C)CC 44815085 167062152 /nfs/dbraw/zinc/06/21/52/167062152.db2.gz GADJXQKWGKOSJN-NXEZZACHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@H](C#N)C(=O)N[C@@H](C)C(C)C 44814485 167062154 /nfs/dbraw/zinc/06/21/54/167062154.db2.gz XDPCORIGXVHBGY-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@H](C#N)C(=O)NCCC(C)C 44809814 167062347 /nfs/dbraw/zinc/06/23/47/167062347.db2.gz IFTOZWHKTHNLTN-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN CCC[C@H](C#N)C(=O)N(C)CC(C)C 44815053 167062454 /nfs/dbraw/zinc/06/24/54/167062454.db2.gz FAAHZWKGAKFZQX-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN CCC[C@H](C#N)NCc1ccccc1 34599545 167062591 /nfs/dbraw/zinc/06/25/91/167062591.db2.gz VGIYRJCPDZYYLM-GFCCVEGCSA-N 0 0 188.274 2.468 10 30 AEEERN CCC[C@H](C#N)C(=O)N(C)[C@@H](C)CC 44815081 167062755 /nfs/dbraw/zinc/06/27/55/167062755.db2.gz GADJXQKWGKOSJN-VHSXEESVSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@H](C#N)CC 21988613 167062837 /nfs/dbraw/zinc/06/28/37/167062837.db2.gz WEZFYBVBPAUJAL-SSDOTTSWSA-N 0 0 111.188 2.336 10 30 AEEERN CCC[C@H](C#N)NC1CCCC1 37968511 167062950 /nfs/dbraw/zinc/06/29/50/167062950.db2.gz KNKCXTRCSYNOBJ-SNVBAGLBSA-N 0 0 166.268 2.211 10 30 AEEERN CCC[C@H](C#N)C(=O)NC(CC)CC 44808823 167063093 /nfs/dbraw/zinc/06/30/93/167063093.db2.gz YQSGELDSTONQHP-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@H](C)CC(C#N)C#N 44250326 167063494 /nfs/dbraw/zinc/06/34/94/167063494.db2.gz SBDXQMYOMORLTL-QMMMGPOBSA-N 0 0 150.225 2.476 10 30 AEEERN CCC[C@H](C)CN(C)[C@@H](C)C#N 51320481 167063540 /nfs/dbraw/zinc/06/35/40/167063540.db2.gz QFSZAVADOQBDAO-UWVGGRQHSA-N 0 0 168.284 2.266 10 30 AEEERN CCC[C@H](C)C(=O)[C@@H](C)C#N 36931557 167063654 /nfs/dbraw/zinc/06/36/54/167063654.db2.gz XDIQKJNXWLMDPR-YUMQZZPRSA-N 0 0 153.225 2.151 10 30 AEEERN CCC[C@H](C)CCC=O 34157165 167063855 /nfs/dbraw/zinc/06/38/55/167063855.db2.gz KQXBFBQRLHMLIS-QMMMGPOBSA-N 0 0 128.215 2.402 10 30 AEEERN CCC[C@H](C)C(=O)N(CC#N)CCC 45092354 167064112 /nfs/dbraw/zinc/06/41/12/167064112.db2.gz QMKSXZGZGISGEG-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN CCC[C@H](C)CN(CC)CC#N 51320473 167065158 /nfs/dbraw/zinc/06/51/58/167065158.db2.gz GJHGMGWIWUNDKL-JTQLQIEISA-N 0 0 168.284 2.268 10 30 AEEERN CCC[C@H](C)C(=O)[C@H](C)C#N 36931559 167065186 /nfs/dbraw/zinc/06/51/86/167065186.db2.gz XDIQKJNXWLMDPR-JGVFFNPUSA-N 0 0 153.225 2.151 10 30 AEEERN CCC[C@H](C)N(C)[C@@H](C)C#N 43521977 167066695 /nfs/dbraw/zinc/06/66/95/167066695.db2.gz RTEOOFVZTXVCHP-IUCAKERBSA-N 0 0 154.257 2.019 10 30 AEEERN CCC[C@H](C)NC(=O)[C@@H](C#N)CCC 44809196 167068572 /nfs/dbraw/zinc/06/85/72/167068572.db2.gz LCHGVVIAHICPHR-VHSXEESVSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@H](C)NC(=O)[C@@H](C#N)C(C)C 44809198 167068759 /nfs/dbraw/zinc/06/87/59/167068759.db2.gz ZZGOAUCQJNLCJB-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@H](C)NC(=O)[C@H](C#N)C(C)C 44809200 167069685 /nfs/dbraw/zinc/06/96/85/167069685.db2.gz ZZGOAUCQJNLCJB-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN CCC[C@H](C)N[C@@H](C#N)CC 43539109 167069778 /nfs/dbraw/zinc/06/97/78/167069778.db2.gz RGLDZAYUQDNGIH-DTWKUNHWSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@H](C)NC(=O)[C@H](C#N)CCC 44809194 167070221 /nfs/dbraw/zinc/07/02/21/167070221.db2.gz LCHGVVIAHICPHR-UWVGGRQHSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@H](C)N[C@H](C#N)CC 43539107 167070850 /nfs/dbraw/zinc/07/08/50/167070850.db2.gz RGLDZAYUQDNGIH-IUCAKERBSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@H](C)[C@H](C#N)NC1CC1 49953381 167072497 /nfs/dbraw/zinc/07/24/97/167072497.db2.gz WLXZJNUOBYMQEK-WPRPVWTQSA-N 0 0 166.268 2.067 10 30 AEEERN CCC[C@H](C=O)CC 5838261 167072677 /nfs/dbraw/zinc/07/26/77/167072677.db2.gz OZGRFPZYTKHWMZ-SSDOTTSWSA-N 0 0 114.188 2.012 10 30 AEEERN CCC[C@H](C)[C@@H]1O[C@H]1C 34361415 167072685 /nfs/dbraw/zinc/07/26/85/167072685.db2.gz CAGHUMFSQKAFSH-FXQIFTODSA-N 0 0 128.215 2.210 10 30 AEEERN CCC[C@H](C)[C@@H](C#N)N1CCCC1 49954324 167072779 /nfs/dbraw/zinc/07/27/79/167072779.db2.gz DPCGGKYXOZGWPY-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H](C)[C@H](C#N)NCC1CC1 49953597 167073634 /nfs/dbraw/zinc/07/36/34/167073634.db2.gz AEYBKTJGWIQSNF-ONGXEEELSA-N 0 0 180.295 2.314 10 30 AEEERN CCC[C@H](C)[C@H](C#N)N1CCCC1 49954326 167073915 /nfs/dbraw/zinc/07/39/15/167073915.db2.gz DPCGGKYXOZGWPY-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H](C)[C@H](C#N)NC(C)C 49953377 167073923 /nfs/dbraw/zinc/07/39/23/167073923.db2.gz FXYIFAPUMQFDHL-UWVGGRQHSA-N 0 0 168.284 2.313 10 30 AEEERN CCC[C@H](C)[C@@H](C#N)NC1CC1 49953379 167074430 /nfs/dbraw/zinc/07/44/30/167074430.db2.gz WLXZJNUOBYMQEK-WCBMZHEXSA-N 0 0 166.268 2.067 10 30 AEEERN CCC[C@H](C)[C@@H](C#N)NCC1CC1 49953595 167074513 /nfs/dbraw/zinc/07/45/13/167074513.db2.gz AEYBKTJGWIQSNF-GXSJLCMTSA-N 0 0 180.295 2.314 10 30 AEEERN CCC[C@H](C)[C@H]1O[C@H]1C 34361413 167074520 /nfs/dbraw/zinc/07/45/20/167074520.db2.gz CAGHUMFSQKAFSH-BIIVOSGPSA-N 0 0 128.215 2.210 10 30 AEEERN CCC[C@H](C)[C@@H](C#N)NC(C)C 49953375 167074637 /nfs/dbraw/zinc/07/46/37/167074637.db2.gz FXYIFAPUMQFDHL-VHSXEESVSA-N 0 0 168.284 2.313 10 30 AEEERN CCC[C@H](C=O)n1cccc1 39080205 167074788 /nfs/dbraw/zinc/07/47/88/167074788.db2.gz QLPIZKKHQJMPRJ-SECBINFHSA-N 0 0 151.209 2.028 10 30 AEEERN CCC[C@H](CC)N[C@H](C#N)CC 50403500 167075254 /nfs/dbraw/zinc/07/52/54/167075254.db2.gz HTVAKTVEGZPAST-UWVGGRQHSA-N 0 0 168.284 2.457 10 30 AEEERN CCC[C@H](CC)N[C@H](C)C#N 50403532 167076214 /nfs/dbraw/zinc/07/62/14/167076214.db2.gz BSFUNOWDSXBYDP-BDAKNGLRSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@H](CC)N[C@@H](C#N)CC 50403504 167076410 /nfs/dbraw/zinc/07/64/10/167076410.db2.gz HTVAKTVEGZPAST-VHSXEESVSA-N 0 0 168.284 2.457 10 30 AEEERN CCC[C@H](CC)N[C@@H](C)C#N 50403528 167076886 /nfs/dbraw/zinc/07/68/86/167076886.db2.gz BSFUNOWDSXBYDP-IUCAKERBSA-N 0 0 154.257 2.067 10 30 AEEERN COC(=O)c1ccc(N=[N+]=[N-])nc1C 134037736 343932133 /nfs/dbraw/zinc/93/21/33/343932133.db2.gz LMKPNVOEHMYAJU-UHFFFAOYSA-N 0 0 192.178 2.118 10 30 AEEERN CCC[C@H](S)CCOC 33637746 167086906 /nfs/dbraw/zinc/08/69/06/167086906.db2.gz GTDLILFCRHJTRW-ZETCQYMHSA-N 0 0 148.271 2.121 10 30 AEEERN CCC[C@H]1CCC(OC)=CC1=O 39119307 167088418 /nfs/dbraw/zinc/08/84/18/167088418.db2.gz BKWZIOZBIDUSBE-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN CCC[C@H]1CCC(=O)C=C1OC 39119343 167089333 /nfs/dbraw/zinc/08/93/33/167089333.db2.gz XGFWMGORLNYQKC-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN CCC[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C=O 104371288 167089672 /nfs/dbraw/zinc/08/96/72/167089672.db2.gz RPJGEHBYOXRURE-ZRUFSTJUSA-N 0 0 164.248 2.424 10 30 AEEERN CCC[C@](C)(C#N)NC(C)C 36924636 167090314 /nfs/dbraw/zinc/09/03/14/167090314.db2.gz PXBUWYNCFLTFTE-SECBINFHSA-N 0 0 154.257 2.067 10 30 AEEERN CCC[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C=O 5843322 167090697 /nfs/dbraw/zinc/09/06/97/167090697.db2.gz RPJGEHBYOXRURE-RCWTZXSCSA-N 0 0 164.248 2.424 10 30 AEEERN CCC[C@](C)(C#N)CC(=O)OCC 5649032 167090723 /nfs/dbraw/zinc/09/07/23/167090723.db2.gz UTOAELRMKPMVLE-JTQLQIEISA-N 0 0 183.251 2.270 10 30 AEEERN CCC[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C=O 31475060 167091098 /nfs/dbraw/zinc/09/10/98/167091098.db2.gz RPJGEHBYOXRURE-VLEAKVRGSA-N 0 0 164.248 2.424 10 30 AEEERN CCC[C@](C)(C#N)N1CCCC1 37355576 167091257 /nfs/dbraw/zinc/09/12/57/167091257.db2.gz NGVQFNPCPHADPN-SNVBAGLBSA-N 0 0 166.268 2.165 10 30 AEEERN CCC[C@H]1O[C@@H]1CCC 1555964 167091769 /nfs/dbraw/zinc/09/17/69/167091769.db2.gz OAPBFTJGJWJJTR-HTQZYQBOSA-N 0 0 128.215 2.354 10 30 AEEERN CCC[C@](C)(C#N)NCC(F)(F)F 37971143 167091790 /nfs/dbraw/zinc/09/17/90/167091790.db2.gz RIQMQWIPBJHIEE-SSDOTTSWSA-N 0 0 194.200 2.221 10 30 AEEERN CCC[C@](C)(CC)OC(=O)CC#N 95934075 167094949 /nfs/dbraw/zinc/09/49/49/167094949.db2.gz USXUWOAOFXGIJL-JTQLQIEISA-N 0 0 183.251 2.412 10 30 AEEERN CCCc1cc(C#N)c(N)s1 20217903 167101025 /nfs/dbraw/zinc/10/10/25/167101025.db2.gz IRBIHHKVJOVYCQ-UHFFFAOYSA-N 0 0 166.249 2.154 10 30 AEEERN CCCc1cc(C#N)ccc1O 34202921 167101896 /nfs/dbraw/zinc/10/18/96/167101896.db2.gz OEAXMDULPNWXOU-UHFFFAOYSA-N 0 0 161.204 2.216 10 30 AEEERN CCCc1ccc(CC=O)cc1 34295596 167102349 /nfs/dbraw/zinc/10/23/49/167102349.db2.gz NIHCCAPTRBOGFZ-UHFFFAOYSA-N 0 0 162.232 2.381 10 30 AEEERN CCCc1ccc(C#CCCO)cc1 37470690 167103665 /nfs/dbraw/zinc/10/36/65/167103665.db2.gz GNTMTOKDYXYBCC-UHFFFAOYSA-N 0 0 188.270 2.373 10 30 AEEERN CCCc1ccc(OC[C@H]2CO2)cc1 1717495 167103943 /nfs/dbraw/zinc/10/39/43/167103943.db2.gz SSOVVTOURMQUSM-LBPRGKRZSA-N 0 0 192.258 2.417 10 30 AEEERN CCCc1ccc(OCC=O)cc1 11584268 167104304 /nfs/dbraw/zinc/10/43/04/167104304.db2.gz XAAWTYKJBQJELJ-UHFFFAOYSA-N 0 0 178.231 2.217 10 30 AEEERN CCCc1ccc(OC[C@@H]2CO2)cc1 5119356 167104674 /nfs/dbraw/zinc/10/46/74/167104674.db2.gz SSOVVTOURMQUSM-GFCCVEGCSA-N 0 0 192.258 2.417 10 30 AEEERN CCCN[C@](C)(C#N)CCOCCC 45213397 167002942 /nfs/dbraw/zinc/00/29/42/167002942.db2.gz QOXFTZWXSKTZKJ-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCCc1cccc(C#N)c1N 34295239 167108316 /nfs/dbraw/zinc/10/83/16/167108316.db2.gz FBOMPBLLNHBYLR-UHFFFAOYSA-N 0 0 160.220 2.093 10 30 AEEERN CCCc1nc(C)c(CC#N)s1 82419493 167108760 /nfs/dbraw/zinc/10/87/60/167108760.db2.gz CNQVMHPOHYVHOC-UHFFFAOYSA-N 0 0 180.276 2.470 10 30 AEEERN CCCc1nc(C)c(C#N)s1 82419484 167111106 /nfs/dbraw/zinc/11/11/06/167111106.db2.gz DADOWHWSTIRDCF-UHFFFAOYSA-N 0 0 166.249 2.276 10 30 AEEERN CCCc1nc(N)c(C#N)cc1CC 39216223 167111216 /nfs/dbraw/zinc/11/12/16/167111216.db2.gz CGKBAGNTQYAQSY-UHFFFAOYSA-N 0 0 189.262 2.050 10 30 AEEERN CCCc1nc2cc(C#N)ccc2n1C 82589038 167113052 /nfs/dbraw/zinc/11/30/52/167113052.db2.gz NKOVAEKZPFQAGC-UHFFFAOYSA-N 0 0 199.257 2.397 10 30 AEEERN CCCc1nc2cc(C#N)ccc2[nH]1 36197892 167113493 /nfs/dbraw/zinc/11/34/93/167113493.db2.gz ALPCQNPWUVQMHG-UHFFFAOYSA-N 0 0 185.230 2.387 10 30 AEEERN CCN(C#N)c1ccc(F)c(C#N)c1 334663661 167124868 /nfs/dbraw/zinc/12/48/68/167124868.db2.gz RRQLIBJLXPFNAA-UHFFFAOYSA-N 0 0 189.193 2.005 10 30 AEEERN CCN(C#Cc1ccccc1)CC 26479451 167124894 /nfs/dbraw/zinc/12/48/94/167124894.db2.gz UUQMJSGFWLACFD-UHFFFAOYSA-N 0 0 173.259 2.337 10 30 AEEERN CCN(C(=O)[C@H](C#N)C(C)C)C(C)C 44814879 167126737 /nfs/dbraw/zinc/12/67/37/167126737.db2.gz JIKYNGSITXRAFE-SNVBAGLBSA-N 0 0 196.294 2.039 10 30 AEEERN CCN(C(=O)[C@@H](C#N)C(C)C)C(C)C 44814877 167128120 /nfs/dbraw/zinc/12/81/20/167128120.db2.gz JIKYNGSITXRAFE-JTQLQIEISA-N 0 0 196.294 2.039 10 30 AEEERN CCN(C)c1ccc(C#N)cc1 37079014 167149237 /nfs/dbraw/zinc/14/92/37/167149237.db2.gz UUAVWKKVLMXOFV-UHFFFAOYSA-N 0 0 160.220 2.014 10 30 AEEERN CCN(C)c1nc(C)cc(C)c1C#N 40508920 167149516 /nfs/dbraw/zinc/14/95/16/167149516.db2.gz NOCMTNWMRYSNRQ-UHFFFAOYSA-N 0 0 189.262 2.026 10 30 AEEERN CCN(C)c1ccccc1C#N 37079013 167149638 /nfs/dbraw/zinc/14/96/38/167149638.db2.gz NZHFADBTXNKBCW-UHFFFAOYSA-N 0 0 160.220 2.014 10 30 AEEERN CCN(C)c1cc(C)ccc1C#N 51597568 167150320 /nfs/dbraw/zinc/15/03/20/167150320.db2.gz VHOOCFQHFXXUKR-UHFFFAOYSA-N 0 0 174.247 2.323 10 30 AEEERN CCN(C1CCCC1)[C@@H](C)C#N 43521935 167152268 /nfs/dbraw/zinc/15/22/68/167152268.db2.gz QNUOUHXOHKKEAF-VIFPVBQESA-N 0 0 166.268 2.163 10 30 AEEERN CCN(CC#N)[C@@H]1CCCC[C@H]1C 307309067 167152456 /nfs/dbraw/zinc/15/24/56/167152456.db2.gz ASOOCEDYUGOZNX-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CCN(CC#N)c1cccc(F)c1 44349949 167152570 /nfs/dbraw/zinc/15/25/70/167152570.db2.gz DMIIXHCRIOMOJA-UHFFFAOYSA-N 0 0 178.210 2.176 10 30 AEEERN CCN(CC#N)[C@@H]1CCCC[C@@H]1C 307309070 167152767 /nfs/dbraw/zinc/15/27/67/167152767.db2.gz ASOOCEDYUGOZNX-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CCN(CC#N)[C@H]1CCCC[C@H]1C 307309068 167152922 /nfs/dbraw/zinc/15/29/22/167152922.db2.gz ASOOCEDYUGOZNX-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CCN(C1CCCC1)[C@H](C)C#N 43521937 167153588 /nfs/dbraw/zinc/15/35/88/167153588.db2.gz QNUOUHXOHKKEAF-SECBINFHSA-N 0 0 166.268 2.163 10 30 AEEERN CCN(CC#N)c1ccccc1F 50011870 167153596 /nfs/dbraw/zinc/15/35/96/167153596.db2.gz BIFJZTVRGGIVNE-UHFFFAOYSA-N 0 0 178.210 2.176 10 30 AEEERN CCN(CC#N)CC1CCCC1 45061724 167154229 /nfs/dbraw/zinc/15/42/29/167154229.db2.gz FXCYIEPVSVWCHN-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN CCN(CC#N)c1ccccc1C 19802524 167154555 /nfs/dbraw/zinc/15/45/55/167154555.db2.gz CYVVLXZZQAXHAX-UHFFFAOYSA-N 0 0 174.247 2.345 10 30 AEEERN CCN(CC#N)Cc1cccc(F)c1 44292632 167155226 /nfs/dbraw/zinc/15/52/26/167155226.db2.gz AYLWWCZKQPCTKK-UHFFFAOYSA-N 0 0 192.237 2.171 10 30 AEEERN CCN(CC#N)[C@H]1CCCC[C@@H]1C 307309069 167155652 /nfs/dbraw/zinc/15/56/52/167155652.db2.gz ASOOCEDYUGOZNX-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCN(CC(F)(F)F)[C@@H](C)CC#N 42764283 167158747 /nfs/dbraw/zinc/15/87/47/167158747.db2.gz CZXCESJPQNAQQR-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN CCN(CC(F)(F)F)[C@H](C)CC#N 42764288 167158794 /nfs/dbraw/zinc/15/87/94/167158794.db2.gz CZXCESJPQNAQQR-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN CCN(CC)C1(C#N)CCSCC1 41058889 167163394 /nfs/dbraw/zinc/16/33/94/167163394.db2.gz CDOKARSDOGOXDB-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN CCN(CC)C1(C#N)CCCC1 19935154 167164323 /nfs/dbraw/zinc/16/43/23/167164323.db2.gz VSNJHWHYVLYUHS-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN CCN(CC)[C@H](C#N)C(C)(C)C 41051937 167171919 /nfs/dbraw/zinc/17/19/19/167171919.db2.gz HUNVTCAUIFZLPX-SECBINFHSA-N 0 0 168.284 2.266 10 30 AEEERN CCN(CC)[C@H]1C=CCC[C@H]1C#N 4823358 167172333 /nfs/dbraw/zinc/17/23/33/167172333.db2.gz XTDPJLMBOQJSKX-QWRGUYRKSA-N 0 0 178.279 2.187 10 30 AEEERN CCN(CC)[C@@](C)(C#N)CC 37355363 167172530 /nfs/dbraw/zinc/17/25/30/167172530.db2.gz XLXCXFYRFCUOMY-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN CCN(CC)c1[nH]c(C)cc1C#N 75568008 167172872 /nfs/dbraw/zinc/17/28/72/167172872.db2.gz PHNLVAKDKVMMQB-UHFFFAOYSA-N 0 0 177.251 2.041 10 30 AEEERN CCN(CC)c1ccc(C#N)c(O)c1 2581335 167173048 /nfs/dbraw/zinc/17/30/48/167173048.db2.gz GDAGABLETWOYOK-UHFFFAOYSA-N 0 0 190.246 2.110 10 30 AEEERN CCN(CC)[C@](C)(C#N)CC 37355362 167173213 /nfs/dbraw/zinc/17/32/13/167173213.db2.gz XLXCXFYRFCUOMY-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN CCN(CC)[C@H]1C=CCC[C@@H]1C#N 4823334 167174725 /nfs/dbraw/zinc/17/47/25/167174725.db2.gz XTDPJLMBOQJSKX-MNOVXSKESA-N 0 0 178.279 2.187 10 30 AEEERN CCN(CCC#N)C(=O)OCC(C)C 42454323 167175909 /nfs/dbraw/zinc/17/59/09/167175909.db2.gz XTGXTGKKNUGVHF-UHFFFAOYSA-N 0 0 198.266 2.015 10 30 AEEERN CCN(CC=O)c1cccc(C)c1 43803390 167176451 /nfs/dbraw/zinc/17/64/51/167176451.db2.gz CDQWTXOOVLSCIR-UHFFFAOYSA-N 0 0 177.247 2.020 10 30 AEEERN CCN(CC=O)c1ccccc1C 43803121 167176762 /nfs/dbraw/zinc/17/67/62/167176762.db2.gz FORZEYVAICIPAM-UHFFFAOYSA-N 0 0 177.247 2.020 10 30 AEEERN CCN(CC)c1nc(C)ccc1C#N 43398858 167176839 /nfs/dbraw/zinc/17/68/39/167176839.db2.gz NODASNADZVUSNP-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN CCN(CC)c1cccc(C#N)c1 32006787 167177368 /nfs/dbraw/zinc/17/73/68/167177368.db2.gz GWDBNEGVXKROFM-UHFFFAOYSA-N 0 0 174.247 2.404 10 30 AEEERN CCN(CC)c1nc(C)c(C#N)s1 82422064 167177749 /nfs/dbraw/zinc/17/77/49/167177749.db2.gz RDFHRBIHXOJLEZ-UHFFFAOYSA-N 0 0 195.291 2.169 10 30 AEEERN CCN(CCC#N)c1ccccc1N 42450687 167178716 /nfs/dbraw/zinc/17/87/16/167178716.db2.gz NKQJDTUVCGXVHQ-UHFFFAOYSA-N 0 0 189.262 2.009 10 30 AEEERN CCN(CCC#N)c1ccc(N)cc1 34616868 167178825 /nfs/dbraw/zinc/17/88/25/167178825.db2.gz IPXGHPMWKNRDFL-UHFFFAOYSA-N 0 0 189.262 2.009 10 30 AEEERN CCN(CCC#N)c1cccc(C)n1 42454609 167178915 /nfs/dbraw/zinc/17/89/15/167178915.db2.gz MZZZLVSNIRVWOU-UHFFFAOYSA-N 0 0 189.262 2.130 10 30 AEEERN CCN(CCC#N)c1cccc(N)c1 42450593 167179062 /nfs/dbraw/zinc/17/90/62/167179062.db2.gz IHQYLPKIINIGCN-UHFFFAOYSA-N 0 0 189.262 2.009 10 30 AEEERN CCN(CCC#N)c1ncccc1C 51040767 167180120 /nfs/dbraw/zinc/18/01/20/167180120.db2.gz DQWQAVXVBSUXPX-UHFFFAOYSA-N 0 0 189.262 2.130 10 30 AEEERN CCN(CCC#N)c1nc(C)cs1 42454643 167181235 /nfs/dbraw/zinc/18/12/35/167181235.db2.gz MHUNFFYEZVYGRL-UHFFFAOYSA-N 0 0 195.291 2.192 10 30 AEEERN CCN(CCC#N)c1cc(C)ccn1 43561319 167181436 /nfs/dbraw/zinc/18/14/36/167181436.db2.gz QPJVFUVANCGGBM-UHFFFAOYSA-N 0 0 189.262 2.130 10 30 AEEERN CCN(CCC#N)c1ccc(C)cn1 42454627 167181797 /nfs/dbraw/zinc/18/17/97/167181797.db2.gz ZSMQYDHDGXFHKI-UHFFFAOYSA-N 0 0 189.262 2.130 10 30 AEEERN CCN(CCS)c1ccccc1 26509735 167187127 /nfs/dbraw/zinc/18/71/27/167187127.db2.gz IUAHTSSNNUXCPW-UHFFFAOYSA-N 0 0 181.304 2.443 10 30 AEEERN CCN(C[C@@H](C)C#N)C(=O)OC(C)C 44240079 167187547 /nfs/dbraw/zinc/18/75/47/167187547.db2.gz GMFCISMIMHXJRU-VIFPVBQESA-N 0 0 198.266 2.013 10 30 AEEERN CCN(C[C@@H](C)C#N)c1ccncc1 42450057 167189402 /nfs/dbraw/zinc/18/94/02/167189402.db2.gz VGWYQNVSLZHLGB-JTQLQIEISA-N 0 0 189.262 2.068 10 30 AEEERN CCN(C[C@H]1CO1)c1ccccc1C 19392321 167191291 /nfs/dbraw/zinc/19/12/91/167191291.db2.gz XXXBGHFCCXIBQU-NSHDSACASA-N 0 0 191.274 2.220 10 30 AEEERN CCN(C[C@H]1CO1)c1ccc(F)cc1 50011864 167191428 /nfs/dbraw/zinc/19/14/28/167191428.db2.gz SEFHTHQCWBBKTQ-NSHDSACASA-N 0 0 195.237 2.051 10 30 AEEERN CCN(C[C@@H]1CO1)c1ccccc1C 19392319 167191629 /nfs/dbraw/zinc/19/16/29/167191629.db2.gz XXXBGHFCCXIBQU-LLVKDONJSA-N 0 0 191.274 2.220 10 30 AEEERN CCN(Cc1ccco1)[C@H](C)CC#N 42445699 167192244 /nfs/dbraw/zinc/19/22/44/167192244.db2.gz DCFLYXCQVNRGCF-SNVBAGLBSA-N 0 0 192.262 2.404 10 30 AEEERN CCN(C[C@H]1CO1)c1cccc(F)c1 44887894 167192321 /nfs/dbraw/zinc/19/23/21/167192321.db2.gz KQLYLQOXZRDUMO-NSHDSACASA-N 0 0 195.237 2.051 10 30 AEEERN CCN(Cc1ccco1)[C@@H](C)CC#N 42445697 167192417 /nfs/dbraw/zinc/19/24/17/167192417.db2.gz DCFLYXCQVNRGCF-JTQLQIEISA-N 0 0 192.262 2.404 10 30 AEEERN CCN(Cc1cccs1)[C@@H](C)C#N 48583283 167192510 /nfs/dbraw/zinc/19/25/10/167192510.db2.gz LMSMCIMENOPEES-VIFPVBQESA-N 0 0 194.303 2.482 10 30 AEEERN CCN(Cc1ccco1)[C@H](C)C#N 43522082 167192934 /nfs/dbraw/zinc/19/29/34/167192934.db2.gz KMTGBLCPCRUXAD-SECBINFHSA-N 0 0 178.235 2.014 10 30 AEEERN CCN(C[C@@H]1CO1)c1cccc(F)c1 44887893 167193121 /nfs/dbraw/zinc/19/31/21/167193121.db2.gz KQLYLQOXZRDUMO-LLVKDONJSA-N 0 0 195.237 2.051 10 30 AEEERN CCN(C[C@H]1CO1)c1cccc(C)c1 33604976 167193584 /nfs/dbraw/zinc/19/35/84/167193584.db2.gz OWODXMXBMHAMRY-LBPRGKRZSA-N 0 0 191.274 2.220 10 30 AEEERN CCN(C[C@@H]1CO1)c1cccc(C)c1 33604975 167193599 /nfs/dbraw/zinc/19/35/99/167193599.db2.gz OWODXMXBMHAMRY-GFCCVEGCSA-N 0 0 191.274 2.220 10 30 AEEERN CCN(C[C@@H]1CO1)c1ccc(F)cc1 50011863 167193601 /nfs/dbraw/zinc/19/36/01/167193601.db2.gz SEFHTHQCWBBKTQ-LLVKDONJSA-N 0 0 195.237 2.051 10 30 AEEERN CCN(Cc1ccco1)[C@@H](C)C#N 43522080 167193604 /nfs/dbraw/zinc/19/36/04/167193604.db2.gz KMTGBLCPCRUXAD-VIFPVBQESA-N 0 0 178.235 2.014 10 30 AEEERN CCN(C[C@@H]1CO1)c1ccccc1F 50011861 167193696 /nfs/dbraw/zinc/19/36/96/167193696.db2.gz OTVFYEKUTVMPKY-SECBINFHSA-N 0 0 195.237 2.051 10 30 AEEERN CCN(C[C@H](C)C#N)c1ccncc1 42450059 167194418 /nfs/dbraw/zinc/19/44/18/167194418.db2.gz VGWYQNVSLZHLGB-SNVBAGLBSA-N 0 0 189.262 2.068 10 30 AEEERN CCN(C[C@H](C)C#N)C(=O)OC(C)C 44240082 167194544 /nfs/dbraw/zinc/19/45/44/167194544.db2.gz GMFCISMIMHXJRU-SECBINFHSA-N 0 0 198.266 2.013 10 30 AEEERN CCN(C[C@H]1CO1)c1ccccc1F 50011862 167194758 /nfs/dbraw/zinc/19/47/58/167194758.db2.gz OTVFYEKUTVMPKY-VIFPVBQESA-N 0 0 195.237 2.051 10 30 AEEERN CCN(c1ccccc1N)[C@@H](C)C#N 50454070 167195020 /nfs/dbraw/zinc/19/50/20/167195020.db2.gz ONACHJKWVOUKFK-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN CCN(c1cc(C#N)ccn1)C(C)C 37082458 167195286 /nfs/dbraw/zinc/19/52/86/167195286.db2.gz DYTWRWIUMUQQHW-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN CCN(c1ccccc1N)[C@H](C)C#N 50454072 167195436 /nfs/dbraw/zinc/19/54/36/167195436.db2.gz ONACHJKWVOUKFK-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN C=C(CC)C[C@H]1CSCC1=O 134558729 343945403 /nfs/dbraw/zinc/94/54/03/343945403.db2.gz YMDPRAOVKSNSEB-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN CCNC1(C#N)CCC(CC)CC1 34939495 167254963 /nfs/dbraw/zinc/25/49/63/167254963.db2.gz VSWVZJMHTAVHFV-UHFFFAOYSA-N 0 0 180.295 2.458 10 30 AEEERN CCNC1(C#N)CCC(C)CC1 20177972 167256531 /nfs/dbraw/zinc/25/65/31/167256531.db2.gz JSINKQSECBPQNA-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN CCNC1(C#N)CCCCCC1 34939478 167256692 /nfs/dbraw/zinc/25/66/92/167256692.db2.gz TUJVYZPMLOMYIH-UHFFFAOYSA-N 0 0 166.268 2.212 10 30 AEEERN CCN[C@@H](C#N)c1cc(C)ccc1C 49670597 167279501 /nfs/dbraw/zinc/27/95/01/167279501.db2.gz BPOYKQHYMIEVAM-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@@H](C#N)c1ccc(CC)s1 51719708 167279549 /nfs/dbraw/zinc/27/95/49/167279549.db2.gz IVHDWHNRRQZBSP-VIFPVBQESA-N 0 0 194.303 2.485 10 30 AEEERN CCN[C@@H](C#N)c1cc(C)cc(C)c1 43394558 167279568 /nfs/dbraw/zinc/27/95/68/167279568.db2.gz VTLKZLKVBXYBQY-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@@H](C#N)CS[C@H](C)CC 45333551 167279823 /nfs/dbraw/zinc/27/98/23/167279823.db2.gz GYHMMPDZBSUYRF-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN CCN[C@@H](C#N)c1ccc(F)c(C)c1 50558741 167279833 /nfs/dbraw/zinc/27/98/33/167279833.db2.gz FDUQZHYIIRLNGZ-NSHDSACASA-N 0 0 192.237 2.308 10 30 AEEERN CCN[C@@H](C#N)[C@H](C)c1ccccc1 41046386 167279972 /nfs/dbraw/zinc/27/99/72/167279972.db2.gz WAICXLHESHNIGM-PWSUYJOCSA-N 0 0 188.274 2.292 10 30 AEEERN CCN[C@@H](C#N)CSC(C)(C)C 45333605 167280065 /nfs/dbraw/zinc/28/00/65/167280065.db2.gz IWTOCEHVJQYECY-QMMMGPOBSA-N 0 0 186.324 2.020 10 30 AEEERN CCN[C@@H](C#N)c1ccc(C)s1 41675126 167280068 /nfs/dbraw/zinc/28/00/68/167280068.db2.gz DFXDMZYLWUGPIB-QMMMGPOBSA-N 0 0 180.276 2.231 10 30 AEEERN CCN[C@@H](C#N)c1c(F)cccc1F 26516612 167280182 /nfs/dbraw/zinc/28/01/82/167280182.db2.gz KXWPZHLRVYGQHD-VIFPVBQESA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@@H](C#N)c1ccc(F)cc1F 26516605 167280236 /nfs/dbraw/zinc/28/02/36/167280236.db2.gz DFZONOGEXYPBPY-JTQLQIEISA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@@H](C#N)c1ccc(F)cc1C 50579374 167280238 /nfs/dbraw/zinc/28/02/38/167280238.db2.gz GYQXYVXDBNNRFZ-NSHDSACASA-N 0 0 192.237 2.308 10 30 AEEERN CCN[C@@H](C#N)c1sccc1C 41673251 167280278 /nfs/dbraw/zinc/28/02/78/167280278.db2.gz GTQWJAOAKJHDCE-QMMMGPOBSA-N 0 0 180.276 2.231 10 30 AEEERN CCN[C@@H](C#N)c1ccc(F)c(F)c1 26516608 167280698 /nfs/dbraw/zinc/28/06/98/167280698.db2.gz QEFHNYHBLCTCTO-JTQLQIEISA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@@H](C#N)c1ccc(CC)cc1 19989188 167280783 /nfs/dbraw/zinc/28/07/83/167280783.db2.gz BNDCVICBYWGXQS-LBPRGKRZSA-N 0 0 188.274 2.423 10 30 AEEERN CCN[C@@H](C#N)c1cc(F)ccc1F 37233653 167280832 /nfs/dbraw/zinc/28/08/32/167280832.db2.gz PHEUPAMGPRRKHL-JTQLQIEISA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@@H](C#N)c1ccccc1CC 52203991 167280955 /nfs/dbraw/zinc/28/09/55/167280955.db2.gz RDIDOCCROPPKEG-LBPRGKRZSA-N 0 0 188.274 2.423 10 30 AEEERN CCN[C@@H](C#N)c1ccc(C)c(C)c1 37180305 167280962 /nfs/dbraw/zinc/28/09/62/167280962.db2.gz LOXDFVVYUDTDCD-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@@H](C#N)c1cccc(C)c1 19987531 167280969 /nfs/dbraw/zinc/28/09/69/167280969.db2.gz MMEHRNLMQQYTLI-NSHDSACASA-N 0 0 174.247 2.169 10 30 AEEERN CCN[C@@H](C#N)c1cccc(C)c1C 43315101 167281477 /nfs/dbraw/zinc/28/14/77/167281477.db2.gz FWKHLAISTSTANQ-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@@H](C#N)c1ccccc1C 19987101 167281776 /nfs/dbraw/zinc/28/17/76/167281776.db2.gz NWPUQBMDGVIRPE-NSHDSACASA-N 0 0 174.247 2.169 10 30 AEEERN CCN[C@@H](C#N)C1CCCCC1 26515674 167282034 /nfs/dbraw/zinc/28/20/34/167282034.db2.gz IYRFSQWENMKMRH-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@@H](C#N)c1ccc(C)cc1C 34939487 167282179 /nfs/dbraw/zinc/28/21/79/167282179.db2.gz MITCNAVMBOGENR-LBPRGKRZSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@@H](C#N)[C@@H](C)c1ccccc1 41046384 167282465 /nfs/dbraw/zinc/28/24/65/167282465.db2.gz WAICXLHESHNIGM-JQWIXIFHSA-N 0 0 188.274 2.292 10 30 AEEERN CCN[C@@H](CC#N)c1ccccc1 55014762 167283083 /nfs/dbraw/zinc/28/30/83/167283083.db2.gz WROQMJBXTADLCW-NSHDSACASA-N 0 0 174.247 2.251 10 30 AEEERN CCN[C@H](C#N)c1ccc(CC)cc1 19989193 167292855 /nfs/dbraw/zinc/29/28/55/167292855.db2.gz BNDCVICBYWGXQS-GFCCVEGCSA-N 0 0 188.274 2.423 10 30 AEEERN CCN[C@@](C)(C#N)CSC(C)C 45220147 167292873 /nfs/dbraw/zinc/29/28/73/167292873.db2.gz HFEKAZDJNPWBJQ-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN CCN[C@H](C#N)c1cc(F)ccc1F 37233655 167292908 /nfs/dbraw/zinc/29/29/08/167292908.db2.gz PHEUPAMGPRRKHL-SNVBAGLBSA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@H](C#N)c1c(F)cccc1F 26516614 167293113 /nfs/dbraw/zinc/29/31/13/167293113.db2.gz KXWPZHLRVYGQHD-SECBINFHSA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@@](C)(C#N)CCO[C@H](C)CC 45214054 167293130 /nfs/dbraw/zinc/29/31/30/167293130.db2.gz LGMBKGWJLZSESI-GHMZBOCLSA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@H](C#N)c1cccc(C)c1C 43315103 167293193 /nfs/dbraw/zinc/29/31/93/167293193.db2.gz FWKHLAISTSTANQ-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@H](C#N)c1sccc1C 41673254 167293245 /nfs/dbraw/zinc/29/32/45/167293245.db2.gz GTQWJAOAKJHDCE-MRVPVSSYSA-N 0 0 180.276 2.231 10 30 AEEERN CCN[C@H](C#N)c1ccc(C)c(C)c1 37180307 167293270 /nfs/dbraw/zinc/29/32/70/167293270.db2.gz LOXDFVVYUDTDCD-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@H](C#N)c1ccc(F)c(F)c1 26516610 167293279 /nfs/dbraw/zinc/29/32/79/167293279.db2.gz QEFHNYHBLCTCTO-SNVBAGLBSA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@H](C#N)c1ccccc1CC 52203989 167293325 /nfs/dbraw/zinc/29/33/25/167293325.db2.gz RDIDOCCROPPKEG-GFCCVEGCSA-N 0 0 188.274 2.423 10 30 AEEERN CCN[C@@](C)(C#N)CCOC(C)(C)C 45207689 167293386 /nfs/dbraw/zinc/29/33/86/167293386.db2.gz YTXLCKFJHVJSHX-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@H](C#N)c1ccc(C)cc1C 34939488 167293409 /nfs/dbraw/zinc/29/34/09/167293409.db2.gz MITCNAVMBOGENR-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@H](C#N)c1ccc(F)cc1F 26516607 167293457 /nfs/dbraw/zinc/29/34/57/167293457.db2.gz DFZONOGEXYPBPY-SNVBAGLBSA-N 0 0 196.200 2.139 10 30 AEEERN CCN[C@@]1(C#N)CCCC[C@H]1C 34939492 167293472 /nfs/dbraw/zinc/29/34/72/167293472.db2.gz ZGCXHIWSKQZBAI-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@H](C#N)c1ccccc1C 19987105 167293577 /nfs/dbraw/zinc/29/35/77/167293577.db2.gz NWPUQBMDGVIRPE-LLVKDONJSA-N 0 0 174.247 2.169 10 30 AEEERN CCN[C@H](C#N)c1cc(C)ccc1C 49670598 167293629 /nfs/dbraw/zinc/29/36/29/167293629.db2.gz BPOYKQHYMIEVAM-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@@](C)(C#N)c1ccccc1F 40177190 167293637 /nfs/dbraw/zinc/29/36/37/167293637.db2.gz UPIMEKSHLMVMPR-NSHDSACASA-N 0 0 192.237 2.174 10 30 AEEERN CCN[C@@](C)(C#N)c1ccc(C)cc1 40177184 167293733 /nfs/dbraw/zinc/29/37/33/167293733.db2.gz ORRBAUVLULJSEY-LBPRGKRZSA-N 0 0 188.274 2.343 10 30 AEEERN CCN[C@@](C)(C#N)C1CCCC1 54081668 167293800 /nfs/dbraw/zinc/29/38/00/167293800.db2.gz NKMOWQMZSHVDBJ-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@H](C#N)c1ccc(F)c(C)c1 50558743 167293805 /nfs/dbraw/zinc/29/38/05/167293805.db2.gz FDUQZHYIIRLNGZ-LLVKDONJSA-N 0 0 192.237 2.308 10 30 AEEERN CCN[C@@](C)(C#N)CCO[C@@H](C)CC 45214057 167293866 /nfs/dbraw/zinc/29/38/66/167293866.db2.gz LGMBKGWJLZSESI-WDEREUQCSA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@H](C#N)C1CCCCC1 26515676 167293889 /nfs/dbraw/zinc/29/38/89/167293889.db2.gz IYRFSQWENMKMRH-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@H](C#N)c1ccc(CC)s1 51719705 167293919 /nfs/dbraw/zinc/29/39/19/167293919.db2.gz IVHDWHNRRQZBSP-SECBINFHSA-N 0 0 194.303 2.485 10 30 AEEERN CCN[C@@](C)(C#N)CCCCOCC 45326700 167293946 /nfs/dbraw/zinc/29/39/46/167293946.db2.gz RSOCWBAGFZDYOD-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CCN[C@H](C#N)c1ccc(F)cc1C 50579376 167294006 /nfs/dbraw/zinc/29/40/06/167294006.db2.gz GYQXYVXDBNNRFZ-LLVKDONJSA-N 0 0 192.237 2.308 10 30 AEEERN CCN[C@H](C#N)[C@H](C)c1ccccc1 41046387 167294110 /nfs/dbraw/zinc/29/41/10/167294110.db2.gz WAICXLHESHNIGM-ZYHUDNBSSA-N 0 0 188.274 2.292 10 30 AEEERN CCN[C@@](C)(C#N)COC(C)(C)CC 45207793 167294231 /nfs/dbraw/zinc/29/42/31/167294231.db2.gz UVCGNDMJRFOCHP-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@@](C)(C#N)C1CCCCC1 37367007 167294250 /nfs/dbraw/zinc/29/42/50/167294250.db2.gz USYZHIJSPREEOD-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@@](C)(C#N)CCSCC 45216827 167294288 /nfs/dbraw/zinc/29/42/88/167294288.db2.gz LHCXLQBWEOWHMA-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CCN[C@@](C)(C#N)c1ccccc1 40177161 167294313 /nfs/dbraw/zinc/29/43/13/167294313.db2.gz IVECQPVFYYVOQW-NSHDSACASA-N 0 0 174.247 2.035 10 30 AEEERN CCN[C@@](C)(C#N)c1ccccc1C 40177182 167294354 /nfs/dbraw/zinc/29/43/54/167294354.db2.gz GBYLDLHAUZFLEQ-LBPRGKRZSA-N 0 0 188.274 2.343 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@H](C)C1 26515683 167294357 /nfs/dbraw/zinc/29/43/57/167294357.db2.gz CNWXDSAJPMPFLH-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@@H](C)C1 26515679 167294405 /nfs/dbraw/zinc/29/44/05/167294405.db2.gz CNWXDSAJPMPFLH-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@@]1(C#N)CCCC[C@@H]1C 34939490 167294518 /nfs/dbraw/zinc/29/45/18/167294518.db2.gz ZGCXHIWSKQZBAI-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@H](C#N)c1cccc(C)c1 19987535 167294660 /nfs/dbraw/zinc/29/46/60/167294660.db2.gz MMEHRNLMQQYTLI-LLVKDONJSA-N 0 0 174.247 2.169 10 30 AEEERN CCN[C@H](C#N)[C@@H](C)c1ccccc1 41046385 167294889 /nfs/dbraw/zinc/29/48/89/167294889.db2.gz WAICXLHESHNIGM-CMPLNLGQSA-N 0 0 188.274 2.292 10 30 AEEERN CCN[C@H](C#N)c1cc(C)cc(C)c1 43394560 167294964 /nfs/dbraw/zinc/29/49/64/167294964.db2.gz VTLKZLKVBXYBQY-GFCCVEGCSA-N 0 0 188.274 2.478 10 30 AEEERN CCN[C@H](C#N)c1ccc(C)s1 41675130 167295098 /nfs/dbraw/zinc/29/50/98/167295098.db2.gz DFXDMZYLWUGPIB-MRVPVSSYSA-N 0 0 180.276 2.231 10 30 AEEERN CCN[C@@](C)(C#N)c1ccc(F)cc1 40177192 167295124 /nfs/dbraw/zinc/29/51/24/167295124.db2.gz VCVAECSSMSFRBY-NSHDSACASA-N 0 0 192.237 2.174 10 30 AEEERN CCN[C@@](C)(C#N)CCCOC(C)C 45325936 167295148 /nfs/dbraw/zinc/29/51/48/167295148.db2.gz RQRILECRTZFJAP-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@H](CC#N)c1ccccc1 55014765 167297975 /nfs/dbraw/zinc/29/79/75/167297975.db2.gz WROQMJBXTADLCW-LLVKDONJSA-N 0 0 174.247 2.251 10 30 AEEERN CCN[C@](C)(C#N)CCCSC 45366494 167303384 /nfs/dbraw/zinc/30/33/84/167303384.db2.gz GKLSHKXDRDWXJY-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCNc1c(C#N)cc(C)cc1OC 72417458 167303395 /nfs/dbraw/zinc/30/33/95/167303395.db2.gz SCQVWNPAALRUQP-UHFFFAOYSA-N 0 0 190.246 2.307 10 30 AEEERN CCN[C@](C)(C#N)C1CCCC1 54081670 167303420 /nfs/dbraw/zinc/30/34/20/167303420.db2.gz NKMOWQMZSHVDBJ-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@](C)(C#N)CCOC(C)(C)C 45207688 167303503 /nfs/dbraw/zinc/30/35/03/167303503.db2.gz YTXLCKFJHVJSHX-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@](C)(C#N)c1ccccc1C 40177183 167303526 /nfs/dbraw/zinc/30/35/26/167303526.db2.gz GBYLDLHAUZFLEQ-GFCCVEGCSA-N 0 0 188.274 2.343 10 30 AEEERN CCN[C@](C)(C#N)CCO[C@H](C)CC 45214048 167303579 /nfs/dbraw/zinc/30/35/79/167303579.db2.gz LGMBKGWJLZSESI-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@](C)(C#N)c1ccccc1 40177162 167303883 /nfs/dbraw/zinc/30/38/83/167303883.db2.gz IVECQPVFYYVOQW-LLVKDONJSA-N 0 0 174.247 2.035 10 30 AEEERN CCN[C@](C)(C#N)CCO[C@@H](C)CC 45214051 167304120 /nfs/dbraw/zinc/30/41/20/167304120.db2.gz LGMBKGWJLZSESI-QWRGUYRKSA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@](C)(C#N)CCSCC 45216825 167304237 /nfs/dbraw/zinc/30/42/37/167304237.db2.gz LHCXLQBWEOWHMA-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CCN[C@](C)(C#N)CCCOC(C)C 45325934 167304579 /nfs/dbraw/zinc/30/45/79/167304579.db2.gz RQRILECRTZFJAP-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@](C)(C#N)C1CCCCC1 37367009 167304880 /nfs/dbraw/zinc/30/48/80/167304880.db2.gz USYZHIJSPREEOD-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@](C)(C#N)COC(C)(C)CC 45207792 167304938 /nfs/dbraw/zinc/30/49/38/167304938.db2.gz UVCGNDMJRFOCHP-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCN[C@]1(C#N)CCCC[C@@H]1C 34939489 167305065 /nfs/dbraw/zinc/30/50/65/167305065.db2.gz ZGCXHIWSKQZBAI-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@]1(C#N)CCCC[C@H]1C 34939491 167305251 /nfs/dbraw/zinc/30/52/51/167305251.db2.gz ZGCXHIWSKQZBAI-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@]1(C#N)CCC[C@@H](C)C1 26515681 167305258 /nfs/dbraw/zinc/30/52/58/167305258.db2.gz CNWXDSAJPMPFLH-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@](C)(C#N)CCCCOCC 45326698 167305270 /nfs/dbraw/zinc/30/52/70/167305270.db2.gz RSOCWBAGFZDYOD-NSHDSACASA-N 0 0 198.310 2.085 10 30 AEEERN CCN[C@](C)(C#N)c1ccc(F)cc1 40177193 167305286 /nfs/dbraw/zinc/30/52/86/167305286.db2.gz VCVAECSSMSFRBY-LLVKDONJSA-N 0 0 192.237 2.174 10 30 AEEERN CCN[C@](C)(C#N)c1ccccc1F 40177191 167305624 /nfs/dbraw/zinc/30/56/24/167305624.db2.gz UPIMEKSHLMVMPR-LLVKDONJSA-N 0 0 192.237 2.174 10 30 AEEERN CCN[C@](C)(C#N)CSC(C)C 45220146 167305684 /nfs/dbraw/zinc/30/56/84/167305684.db2.gz HFEKAZDJNPWBJQ-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN CCN[C@](C)(C#N)c1ccc(C)cc1 40177185 167305685 /nfs/dbraw/zinc/30/56/85/167305685.db2.gz ORRBAUVLULJSEY-GFCCVEGCSA-N 0 0 188.274 2.343 10 30 AEEERN CCN[C@]1(C#N)CCC[C@H](C)C1 26515685 167305692 /nfs/dbraw/zinc/30/56/92/167305692.db2.gz CNWXDSAJPMPFLH-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CCNc1cc(C#N)cc(F)c1C 37089373 167305956 /nfs/dbraw/zinc/30/59/56/167305956.db2.gz HGMYOUWHOXQHBY-UHFFFAOYSA-N 0 0 178.210 2.438 10 30 AEEERN CCNc1cc(C)ccc1C#N 51578657 167306410 /nfs/dbraw/zinc/30/64/10/167306410.db2.gz QZFMPMCGQHNEPC-UHFFFAOYSA-N 0 0 160.220 2.299 10 30 AEEERN CCNc1cc(C)c(C#N)c(Cl)n1 75598621 167306431 /nfs/dbraw/zinc/30/64/31/167306431.db2.gz GUBRLIAQDKZRPG-UHFFFAOYSA-N 0 0 195.653 2.347 10 30 AEEERN CCNc1ccc(Cl)c(C#N)n1 306780583 167308334 /nfs/dbraw/zinc/30/83/34/167308334.db2.gz DBXOCGYWAQKYFB-UHFFFAOYSA-N 0 0 181.626 2.038 10 30 AEEERN CCNc1cccc(OCC#N)c1 37069726 167308734 /nfs/dbraw/zinc/30/87/34/167308734.db2.gz SSUBPZKQWCFLRV-UHFFFAOYSA-N 0 0 176.219 2.021 10 30 AEEERN CCNc1ccc(OCC)cc1C#N 72417454 167308813 /nfs/dbraw/zinc/30/88/13/167308813.db2.gz WFGRHRFEMIHCQL-UHFFFAOYSA-N 0 0 190.246 2.389 10 30 AEEERN CCNc1ccc(OCC#N)cc1 20126548 167309138 /nfs/dbraw/zinc/30/91/38/167309138.db2.gz BAQVAEISVOJSPT-UHFFFAOYSA-N 0 0 176.219 2.021 10 30 AEEERN CCNc1nc(C)c(C)cc1C#N 50871644 167312430 /nfs/dbraw/zinc/31/24/30/167312430.db2.gz MUMUDDMYGPEVSD-UHFFFAOYSA-N 0 0 175.235 2.002 10 30 AEEERN CCNc1nc(C2CC2)ccc1C#N 50871449 167313519 /nfs/dbraw/zinc/31/35/19/167313519.db2.gz PQGJNJAIWDSKFD-UHFFFAOYSA-N 0 0 187.246 2.262 10 30 AEEERN CCNc1nc(CC)c(C)cc1C#N 50871592 167313558 /nfs/dbraw/zinc/31/35/58/167313558.db2.gz TXENMFQIIYCYEO-UHFFFAOYSA-N 0 0 189.262 2.256 10 30 AEEERN CCNc1nc(C)c(C#N)cc1Cl 307291609 167314680 /nfs/dbraw/zinc/31/46/80/167314680.db2.gz BIXMFIJWJWADSC-UHFFFAOYSA-N 0 0 195.653 2.347 10 30 AEEERN CCNc1sccc1C#N 62796994 167315359 /nfs/dbraw/zinc/31/53/59/167315359.db2.gz UEHNYFCVKOQESI-UHFFFAOYSA-N 0 0 152.222 2.052 10 30 AEEERN CCO/C=C(/C(C)=O)c1ccncc1 38643805 167315522 /nfs/dbraw/zinc/31/55/22/167315522.db2.gz IATKKGJZTHMRBF-FLIBITNWSA-N 0 0 191.230 2.048 10 30 AEEERN CCO/C=C(\C(C)=O)c1ccncc1 38643809 167315576 /nfs/dbraw/zinc/31/55/76/167315576.db2.gz IATKKGJZTHMRBF-DHZHZOJOSA-N 0 0 191.230 2.048 10 30 AEEERN CCOC(=O)C1(C#N)CCC(C)CC1 83257091 167324805 /nfs/dbraw/zinc/32/48/05/167324805.db2.gz PDKIBCOFGOXLAL-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN CCOC(=O)C1=CCCCCCC1=O 62720334 167328102 /nfs/dbraw/zinc/32/81/02/167328102.db2.gz AUVGRLHTUOZERO-UHFFFAOYSA-N 0 0 196.246 2.009 10 30 AEEERN CCOC(=O)CCC1=CCCCC1=O 34589959 167329694 /nfs/dbraw/zinc/32/96/94/167329694.db2.gz QMKHJNSLJHXJHJ-UHFFFAOYSA-N 0 0 196.246 2.009 10 30 AEEERN CCOC(=O)CCCCCCC=O 22112796 167330016 /nfs/dbraw/zinc/33/00/16/167330016.db2.gz GJVAZCWMBXCJQT-UHFFFAOYSA-N 0 0 186.251 2.089 10 30 AEEERN CCOC(=O)CCCCCS 34235416 167330043 /nfs/dbraw/zinc/33/00/43/167330043.db2.gz PCWGZPWUKRNFNV-UHFFFAOYSA-N 0 0 176.281 2.040 10 30 AEEERN CCOC(=O)N(CCC#N)CC(C)C 43419429 167340002 /nfs/dbraw/zinc/34/00/02/167340002.db2.gz BPYVVTLVAPJGAQ-UHFFFAOYSA-N 0 0 198.266 2.015 10 30 AEEERN CCOC(=O)[C@@H](C#N)C(CC)CC 2578854 167344506 /nfs/dbraw/zinc/34/45/06/167344506.db2.gz PMGOTRBPIFDHHP-VIFPVBQESA-N 0 0 183.251 2.125 10 30 AEEERN CCOC(=O)ON=C(C1CC1)C1CC1 197844351 167345685 /nfs/dbraw/zinc/34/56/85/167345685.db2.gz PHMVRABBBDDTRS-UHFFFAOYSA-N 0 0 197.234 2.336 10 30 AEEERN CCOC(=O)[C@@H](C#N)C1=CCCCC1 12412196 167345944 /nfs/dbraw/zinc/34/59/44/167345944.db2.gz IJVCBKDAQOGJPZ-JTQLQIEISA-N 0 0 193.246 2.190 10 30 AEEERN CCOC(=O)Nc1ccc(C#N)cc1 19517582 167346233 /nfs/dbraw/zinc/34/62/33/167346233.db2.gz YEDMWSJQDMJDCG-UHFFFAOYSA-N 0 0 190.202 2.127 10 30 AEEERN CCOC(=O)[C@@]1(C#N)CCCC[C@@H]1C 104841021 167357059 /nfs/dbraw/zinc/35/70/59/167357059.db2.gz HLNCCQIHRLGNBV-GXSJLCMTSA-N 0 0 195.262 2.270 10 30 AEEERN CCOC(=O)[C@H](C#N)C1=CCCCC1 12412198 167357561 /nfs/dbraw/zinc/35/75/61/167357561.db2.gz IJVCBKDAQOGJPZ-SNVBAGLBSA-N 0 0 193.246 2.190 10 30 AEEERN CCOC(=O)[C@@]1(C#N)CCCC[C@H]1C 104841029 167357596 /nfs/dbraw/zinc/35/75/96/167357596.db2.gz HLNCCQIHRLGNBV-MWLCHTKSSA-N 0 0 195.262 2.270 10 30 AEEERN CCOC(=O)[C@]1(C#N)CCCC[C@@H]1C 104841016 167365374 /nfs/dbraw/zinc/36/53/74/167365374.db2.gz HLNCCQIHRLGNBV-ONGXEEELSA-N 0 0 195.262 2.270 10 30 AEEERN CCOC(=O)[C@]1(C#N)CCCC[C@H]1C 104841025 167366603 /nfs/dbraw/zinc/36/66/03/167366603.db2.gz HLNCCQIHRLGNBV-KOLCDFICSA-N 0 0 195.262 2.270 10 30 AEEERN CCOC(C#CCC(C)C)OCC 72236482 167376890 /nfs/dbraw/zinc/37/68/90/167376890.db2.gz MDNNWKDNZIQTPI-UHFFFAOYSA-N 0 0 184.279 2.435 10 30 AEEERN CCOC1=CC(=O)[C@@H](CC)CC1 39119323 167379305 /nfs/dbraw/zinc/37/93/05/167379305.db2.gz MDJANMQJJAAFGW-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN CCOC1(C#N)CCCCC1 39089208 167380022 /nfs/dbraw/zinc/38/00/22/167380022.db2.gz FHBDOHRXIPENDC-UHFFFAOYSA-N 0 0 153.225 2.249 10 30 AEEERN CCOC(OCC)C(=O)C1=CCCC1 43503891 167380348 /nfs/dbraw/zinc/38/03/48/167380348.db2.gz NNBMMWOKXRWIQB-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN CCOC1=CC(=O)C12CCCC2 39119272 167380701 /nfs/dbraw/zinc/38/07/01/167380701.db2.gz SSYKUMFYBFNJQH-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CCOC1=CC(=O)C(C)(C)CC1 39119359 167381117 /nfs/dbraw/zinc/38/11/17/167381117.db2.gz NFMRBOKVBPURRH-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CCOC1=CC(=O)CCC1(C)C 35904575 167381218 /nfs/dbraw/zinc/38/12/18/167381218.db2.gz CNFKPWBTXBXXLI-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN CCOC1=CC(=O)[C@H](CC)CC1 39119321 167381249 /nfs/dbraw/zinc/38/12/49/167381249.db2.gz MDJANMQJJAAFGW-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN C=C(CC)C[C@@H]1CSC[C@@H]1O 134673501 343947893 /nfs/dbraw/zinc/94/78/93/343947893.db2.gz UTUKRHZIUVOPBR-BDAKNGLRSA-N 0 0 172.293 2.067 10 30 AEEERN CCOCCC(=O)[C@@H](C#N)CC(C)C 43375226 167385682 /nfs/dbraw/zinc/38/56/82/167385682.db2.gz DQXHTYVKNGGENJ-SNVBAGLBSA-N 0 0 197.278 2.168 10 30 AEEERN CCOCCC[C@@](C)(C#N)NC(C)C 45326683 167386039 /nfs/dbraw/zinc/38/60/39/167386039.db2.gz WEBJDSGXIYXIBM-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CCOCCC(=O)[C@H](C#N)CC(C)C 43375224 167387003 /nfs/dbraw/zinc/38/70/03/167387003.db2.gz DQXHTYVKNGGENJ-JTQLQIEISA-N 0 0 197.278 2.168 10 30 AEEERN CCOCCC[C@](C)(C#N)NC(C)C 45326685 167389830 /nfs/dbraw/zinc/38/98/30/167389830.db2.gz WEBJDSGXIYXIBM-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CCOCCNc1cccc(C#N)c1 35098088 167391396 /nfs/dbraw/zinc/39/13/96/167391396.db2.gz NBWHDLVQEZXAPQ-UHFFFAOYSA-N 0 0 190.246 2.007 10 30 AEEERN CCOCc1cc(C#N)ccc1F 19431787 167399346 /nfs/dbraw/zinc/39/93/46/167399346.db2.gz HQGYWTGJOZZUSS-UHFFFAOYSA-N 0 0 179.194 2.234 10 30 AEEERN CCOCc1cccc(C#N)c1 19440199 167399370 /nfs/dbraw/zinc/39/93/70/167399370.db2.gz IYCJNTNAAOLHLX-UHFFFAOYSA-N 0 0 161.204 2.095 10 30 AEEERN CCO[C@@H]1C[C@@H]1c1ccc(C#N)cc1 211705614 167404010 /nfs/dbraw/zinc/40/40/10/167404010.db2.gz BMFPIBLKOXSJSZ-VXGBXAGGSA-N 0 0 187.242 2.451 10 30 AEEERN CCO[C@H]1CC2=C(CCCC2)C1=O 39090069 167406898 /nfs/dbraw/zinc/40/68/98/167406898.db2.gz LTAYTTLOJLPYJV-JTQLQIEISA-N 0 0 180.247 2.235 10 30 AEEERN CCOc1ccc(CC#N)cc1C 82529344 167417007 /nfs/dbraw/zinc/41/70/07/167417007.db2.gz WUDVPUUHGCXBNT-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN CCOc1ccc(O[C@@H](C)C#N)cc1 11834645 167420837 /nfs/dbraw/zinc/42/08/37/167420837.db2.gz BKJNPVVOFSOMMH-VIFPVBQESA-N 0 0 191.230 2.376 10 30 AEEERN CCOc1ccc([C@@H]2CO2)cc1 19730657 167421013 /nfs/dbraw/zinc/42/10/13/167421013.db2.gz RDSYUTANYRPEEV-JTQLQIEISA-N 0 0 164.204 2.157 10 30 AEEERN CCOc1ccc([C@]2(C)CO2)cc1F 82531005 167421796 /nfs/dbraw/zinc/42/17/96/167421796.db2.gz FNVDKNIJUWYJRW-NSHDSACASA-N 0 0 196.221 2.470 10 30 AEEERN CCOc1ccc([C@]2(C)CO2)cc1 36156337 167422750 /nfs/dbraw/zinc/42/27/50/167422750.db2.gz PRGCMNZMYZVPND-NSHDSACASA-N 0 0 178.231 2.331 10 30 AEEERN CCOc1ccc2c(c1)[C@@H](C#N)CN2 71486944 167423318 /nfs/dbraw/zinc/42/33/18/167423318.db2.gz LMHIONFDINAKRB-QMMMGPOBSA-N 0 0 188.230 2.118 10 30 AEEERN CCOc1ccc([C@H]2CO2)cc1F 71499016 167423340 /nfs/dbraw/zinc/42/33/40/167423340.db2.gz LOBZOZORCNAHOE-SNVBAGLBSA-N 0 0 182.194 2.296 10 30 AEEERN CCOc1cccc(O[C@H](C)C#N)c1 51846479 167424041 /nfs/dbraw/zinc/42/40/41/167424041.db2.gz KKQWHLKIFWGCAK-SECBINFHSA-N 0 0 191.230 2.376 10 30 AEEERN CCOc1cccc(N[C@@H](C)C#N)c1 43515555 167424333 /nfs/dbraw/zinc/42/43/33/167424333.db2.gz FAZOGEAOBIOHHK-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN CCOc1cccc(O[C@@H](C)C#N)c1 51846477 167424416 /nfs/dbraw/zinc/42/44/16/167424416.db2.gz KKQWHLKIFWGCAK-VIFPVBQESA-N 0 0 191.230 2.376 10 30 AEEERN CCOc1cccc(NCC#N)c1 49566021 167424604 /nfs/dbraw/zinc/42/46/04/167424604.db2.gz FUWIKYYGXWYTKF-UHFFFAOYSA-N 0 0 176.219 2.021 10 30 AEEERN CCOc1ccccc1OCCC=O 11569668 167427326 /nfs/dbraw/zinc/42/73/26/167427326.db2.gz PKDLGMVUPDPBMG-UHFFFAOYSA-N 0 0 194.230 2.053 10 30 AEEERN CCOc1ccccc1[C@@H]1CO1 19730652 167427635 /nfs/dbraw/zinc/42/76/35/167427635.db2.gz IVLGISMAOFBUFZ-JTQLQIEISA-N 0 0 164.204 2.157 10 30 AEEERN CCOc1ccccc1C[C@H]1CO1 95722075 167428425 /nfs/dbraw/zinc/42/84/25/167428425.db2.gz YNMIPOBEIANVDW-JTQLQIEISA-N 0 0 178.231 2.027 10 30 AEEERN CCOc1ccccc1C[C@@H]1CO1 95722073 167428461 /nfs/dbraw/zinc/42/84/61/167428461.db2.gz YNMIPOBEIANVDW-SNVBAGLBSA-N 0 0 178.231 2.027 10 30 AEEERN CCS[C@@H](CC)CC#N 36679629 167435681 /nfs/dbraw/zinc/43/56/81/167435681.db2.gz XLYLZWYQLVLUAL-ZETCQYMHSA-N 0 0 143.255 2.432 10 30 AEEERN CCSC[C@@](C)(C#N)NC(C)C 45216780 167436968 /nfs/dbraw/zinc/43/69/68/167436968.db2.gz AFZQTPNHHVXGCQ-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN CCSc1ccc(N)cc1C#N 41021751 167438307 /nfs/dbraw/zinc/43/83/07/167438307.db2.gz BJVADFDNSFRUIR-UHFFFAOYSA-N 0 0 178.260 2.252 10 30 AEEERN CCS[C@H]1CCC[C@H]1C#N 37156077 167438713 /nfs/dbraw/zinc/43/87/13/167438713.db2.gz VNPJGDNADZMYBS-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN CCSc1ccc(C#N)cc1N 35675169 167439006 /nfs/dbraw/zinc/43/90/06/167439006.db2.gz GJLDZHGVAIPMSZ-UHFFFAOYSA-N 0 0 178.260 2.252 10 30 AEEERN CCSc1nc(C)ccc1C#N 43400792 167440033 /nfs/dbraw/zinc/44/00/33/167440033.db2.gz OTZYSBPPNKAYPU-UHFFFAOYSA-N 0 0 178.260 2.374 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1ccccc1 43556037 167441910 /nfs/dbraw/zinc/44/19/10/167441910.db2.gz FPZSGFFVACPWAE-LBPRGKRZSA-N 0 0 188.274 2.421 10 30 AEEERN CC[C@@H](C#N)N(C)c1ccc(C#N)cc1 61952325 167442127 /nfs/dbraw/zinc/44/21/27/167442127.db2.gz PLZROIGDHKQOIV-NSHDSACASA-N 0 0 199.257 2.297 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)c1ccco1 43540046 167442235 /nfs/dbraw/zinc/44/22/35/167442235.db2.gz CPYQYAOTHFNQSV-IUCAKERBSA-N 0 0 178.235 2.232 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1ccco1 43556302 167442240 /nfs/dbraw/zinc/44/22/40/167442240.db2.gz FDZLSCAPEAUDES-VIFPVBQESA-N 0 0 178.235 2.014 10 30 AEEERN CC[C@@H](C#N)NCc1ccccc1F 43539286 167442333 /nfs/dbraw/zinc/44/23/33/167442333.db2.gz ZHXACBVNIHYMRC-JTQLQIEISA-N 0 0 192.237 2.217 10 30 AEEERN CC[C@@H](C#N)NCc1ccc(F)cc1 43539274 167443204 /nfs/dbraw/zinc/44/32/04/167443204.db2.gz NFGLWJMHRMISPQ-NSHDSACASA-N 0 0 192.237 2.217 10 30 AEEERN CC[C@@H](C#N)C1(O)CCCCC1 34075737 167443208 /nfs/dbraw/zinc/44/32/08/167443208.db2.gz QXTUQGDEKPIYBR-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1cccs1 43556306 167443261 /nfs/dbraw/zinc/44/32/61/167443261.db2.gz IQCKORMGWUSNPN-VIFPVBQESA-N 0 0 194.303 2.482 10 30 AEEERN CC[C@@H](C#N)N(CCC#N)CC(C)C 43542251 167443445 /nfs/dbraw/zinc/44/34/45/167443445.db2.gz JRTDEMNEZPDLAU-NSHDSACASA-N 0 0 193.294 2.160 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)c1cccnc1 43539978 167443454 /nfs/dbraw/zinc/44/34/54/167443454.db2.gz SZZZHFAJAOGMPX-ONGXEEELSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@@H](C#N)N(C)c1cccc(N)c1 43543018 167443883 /nfs/dbraw/zinc/44/38/83/167443883.db2.gz BDZVVNBTTMLQSA-JTQLQIEISA-N 0 0 189.262 2.007 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)c1ccccn1 43540004 167443923 /nfs/dbraw/zinc/44/39/23/167443923.db2.gz OUADBTVHNRFZLI-UWVGGRQHSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@@H](C#N)Sc1ncccc1N 43542940 167444909 /nfs/dbraw/zinc/44/49/09/167444909.db2.gz IPDQZEDSDDVNSI-ZETCQYMHSA-N 0 0 193.275 2.058 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(O)c1C 43543316 167445316 /nfs/dbraw/zinc/44/53/16/167445316.db2.gz ZOWMKOIVMXNPGU-VIFPVBQESA-N 0 0 191.230 2.382 10 30 AEEERN CC[C@@H](C#N)SC(C)C 43557691 167445390 /nfs/dbraw/zinc/44/53/90/167445390.db2.gz UWMRXHYTNVJCMZ-ZETCQYMHSA-N 0 0 143.255 2.430 10 30 AEEERN CC[C@@H](C#N)Nc1ccc(CC#N)cc1 51601334 167445392 /nfs/dbraw/zinc/44/53/92/167445392.db2.gz YSSMFABJTRXLOI-NSHDSACASA-N 0 0 199.257 2.467 10 30 AEEERN CC[C@@H](C#N)Nc1cccc(OC)c1 37937815 167445430 /nfs/dbraw/zinc/44/54/30/167445430.db2.gz GGIWYPQHRWHSIT-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN CC[C@@H](C#N)c1cccnc1 34247030 167445524 /nfs/dbraw/zinc/44/55/24/167445524.db2.gz RRLKEXAHSJGITH-QMMMGPOBSA-N 0 0 146.193 2.099 10 30 AEEERN CC[C@@H](C#N)OC(C)(C)C 43557224 167445852 /nfs/dbraw/zinc/44/58/52/167445852.db2.gz JWGRQLNMFFOKBT-ZETCQYMHSA-N 0 0 141.214 2.104 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(C=O)cc1 43542700 167446093 /nfs/dbraw/zinc/44/60/93/167446093.db2.gz QYQNMRGEMHMGHS-JTQLQIEISA-N 0 0 189.214 2.180 10 30 AEEERN CC[C@@H](C#N)Sc1ccncc1N 43542938 167446250 /nfs/dbraw/zinc/44/62/50/167446250.db2.gz QCHMCQSDTNMMNN-ZETCQYMHSA-N 0 0 193.275 2.058 10 30 AEEERN CC[C@@H](C#N)OCCC(C)C 43557095 167446302 /nfs/dbraw/zinc/44/63/02/167446302.db2.gz QTYSXFNRPCDMQH-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(O)c1 43543322 167446364 /nfs/dbraw/zinc/44/63/64/167446364.db2.gz ODGDWWJDLNZWOC-VIFPVBQESA-N 0 0 177.203 2.073 10 30 AEEERN CC[C@@H](C#N)Nc1cccc(C#N)c1 43539268 167446434 /nfs/dbraw/zinc/44/64/34/167446434.db2.gz QGJMDAHAOWIPTM-JTQLQIEISA-N 0 0 185.230 2.272 10 30 AEEERN CC[C@@H](C)/C=C\C(C)=O 95933137 167449719 /nfs/dbraw/zinc/44/97/19/167449719.db2.gz QDUQNQQMHZNNTG-KXTMECRCSA-N 0 0 126.199 2.178 10 30 AEEERN CC[C@@H](C)C(=O)[C@H](C)CC#N 51690432 167451042 /nfs/dbraw/zinc/45/10/42/167451042.db2.gz DVDNKHQIIHSGPZ-HTQZYQBOSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@@H](C)N(CC)C(=O)C(C)(C)C#N 44752535 167462002 /nfs/dbraw/zinc/46/20/02/167462002.db2.gz DLTBRROWJFRSHZ-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H](C)NC1(C#N)CCCC1 38064592 167472198 /nfs/dbraw/zinc/47/21/98/167472198.db2.gz BOWJTLMMFIJLRL-SECBINFHSA-N 0 0 166.268 2.211 10 30 AEEERN CC[C@@H](C)N[C@@H](C#N)c1cccnc1 38064736 167475091 /nfs/dbraw/zinc/47/50/91/167475091.db2.gz JDXFQFDETQNXQT-KOLCDFICSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@@H](C)NOC(=O)c1ccccc1 21995478 167476103 /nfs/dbraw/zinc/47/61/03/167476103.db2.gz JFJCKLNPXLBRGF-SECBINFHSA-N 0 0 193.246 2.147 10 30 AEEERN CC[C@@H](C)Nc1oc(C)nc1C#N 75569429 167478964 /nfs/dbraw/zinc/47/89/64/167478964.db2.gz CFIBUCMZDJVVDQ-ZCFIWIBFSA-N 0 0 179.223 2.065 10 30 AEEERN CC[C@@H](C)ON=Cc1ccncc1 255993040 167482590 /nfs/dbraw/zinc/48/25/90/167482590.db2.gz OSPAXZYGPSBZMB-SECBINFHSA-N 0 0 178.235 2.231 10 30 AEEERN CC[C@@H](C)SCCS 32163237 167482784 /nfs/dbraw/zinc/48/27/84/167482784.db2.gz FVLJREBFJZSBHB-ZCFIWIBFSA-N 0 0 150.312 2.448 10 30 AEEERN CC[C@@H](C)Oc1ccc(N)cc1C#N 40887485 167483540 /nfs/dbraw/zinc/48/35/40/167483540.db2.gz FVRYUDMTELFHME-MRVPVSSYSA-N 0 0 190.246 2.318 10 30 AEEERN CC[C@@H](C)[C@@H](C#N)NCC(F)(F)F 41050181 167485103 /nfs/dbraw/zinc/48/51/03/167485103.db2.gz UBKPAQYWAIVQNU-RNFRBKRXSA-N 0 0 194.200 2.077 10 30 AEEERN CC[C@@H](C)[C@@H](C)C#N 37745482 167486103 /nfs/dbraw/zinc/48/61/03/167486103.db2.gz ALZYMJVIVGSIHN-RQJHMYQMSA-N 0 0 111.188 2.192 10 30 AEEERN CC[C@@H](C)c1cc(C#N)ccn1 75544703 167496466 /nfs/dbraw/zinc/49/64/66/167496466.db2.gz KLIOABYKSFGUQF-MRVPVSSYSA-N 0 0 160.220 2.467 10 30 AEEERN CC[C@@H](C)c1ccc(/C(N)=N/O)cc1 75848412 167497390 /nfs/dbraw/zinc/49/73/90/167497390.db2.gz BSIVJMWDLMQXJR-MRVPVSSYSA-N 0 0 192.262 2.295 10 30 AEEERN CC[C@@H](C=O)OCc1ccccc1 5922823 167498658 /nfs/dbraw/zinc/49/86/58/167498658.db2.gz YTXIEUATJGWTOC-NSHDSACASA-N 0 0 178.231 2.181 10 30 AEEERN CC[C@@H](C=O)C(C)(C)C 75523213 167499394 /nfs/dbraw/zinc/49/93/94/167499394.db2.gz QNWXANGHIILIBC-ZETCQYMHSA-N 0 0 128.215 2.258 10 30 AEEERN CC[C@@H](C=O)SC(C)C 75537835 167500911 /nfs/dbraw/zinc/50/09/11/167500911.db2.gz MTTZUCMWBWGKOQ-ZETCQYMHSA-N 0 0 146.255 2.106 10 30 AEEERN CC[C@@H](O)c1ccc(C#N)cc1 36419831 167538999 /nfs/dbraw/zinc/53/89/99/167538999.db2.gz SANZOIKZCSMDJA-SNVBAGLBSA-N 0 0 161.204 2.002 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1OC[C@@H]1CO1 19504185 167546462 /nfs/dbraw/zinc/54/64/62/167546462.db2.gz HJNDMZXMHCYYHB-VWYCJHECSA-N 0 0 184.279 2.371 10 30 AEEERN CC[C@@](C)(C#N)NCc1ccccc1 37939457 167574278 /nfs/dbraw/zinc/57/42/78/167574278.db2.gz DJOIHJULAMNSIX-LBPRGKRZSA-N 0 0 188.274 2.468 10 30 AEEERN CC[C@@]12CC[C@@H](C/C1=N/O)C2 100274743 167585251 /nfs/dbraw/zinc/58/52/51/167585251.db2.gz YXEQWKJXIHHUHR-RSHBGNIXSA-N 0 0 153.225 2.417 10 30 AEEERN CC[C@H](C#N)N(C)c1ccc(N)cc1 43542965 167585658 /nfs/dbraw/zinc/58/56/58/167585658.db2.gz YGBUXLGGBSLEPV-SNVBAGLBSA-N 0 0 189.262 2.007 10 30 AEEERN CC[C@H](C#N)NC1CCC(C)CC1 43539253 167585808 /nfs/dbraw/zinc/58/58/08/167585808.db2.gz LKJCSQAIDGPNJV-HSOILSAZSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N(C)c1ccc(C#N)cc1 61952326 167586463 /nfs/dbraw/zinc/58/64/63/167586463.db2.gz PLZROIGDHKQOIV-LLVKDONJSA-N 0 0 199.257 2.297 10 30 AEEERN CC[C@H](C#N)N1CCc2ccccc21 43556104 167586769 /nfs/dbraw/zinc/58/67/69/167586769.db2.gz HIBKKDAFIHEQCS-LLVKDONJSA-N 0 0 186.258 2.351 10 30 AEEERN CC[C@H](C#N)N(C)Cc1ccccc1 43556039 167587141 /nfs/dbraw/zinc/58/71/41/167587141.db2.gz FPZSGFFVACPWAE-GFCCVEGCSA-N 0 0 188.274 2.421 10 30 AEEERN CC[C@H](C#N)N(C)c1cccc(N)c1 43543019 167587327 /nfs/dbraw/zinc/58/73/27/167587327.db2.gz BDZVVNBTTMLQSA-SNVBAGLBSA-N 0 0 189.262 2.007 10 30 AEEERN CC[C@H](C#N)NCCc1ccsc1 43541084 167587781 /nfs/dbraw/zinc/58/77/81/167587781.db2.gz MUIFHXSCXIYPAO-SNVBAGLBSA-N 0 0 194.303 2.182 10 30 AEEERN CC[C@H](C#N)Nc1ccccc1 13347018 167587975 /nfs/dbraw/zinc/58/79/75/167587975.db2.gz OBRXLYKHTVYVEE-SECBINFHSA-N 0 0 160.220 2.401 10 30 AEEERN CC[C@H](C#N)OCc1ccc(N)cc1 43538519 167588256 /nfs/dbraw/zinc/58/82/56/167588256.db2.gz PXBXYIVQXTXIKQ-LLVKDONJSA-N 0 0 190.246 2.088 10 30 AEEERN CC[C@H](C#N)N[C@H](C)c1ccncc1 43539995 167588288 /nfs/dbraw/zinc/58/82/88/167588288.db2.gz SIUOOKVZEZAAPT-MWLCHTKSSA-N 0 0 189.262 2.034 10 30 AEEERN CC[C@H](C#N)Oc1cccc(O)c1C 43543317 167588303 /nfs/dbraw/zinc/58/83/03/167588303.db2.gz ZOWMKOIVMXNPGU-SECBINFHSA-N 0 0 191.230 2.382 10 30 AEEERN CC[C@H](C#N)Oc1cccc(C)c1N 43538531 167588330 /nfs/dbraw/zinc/58/83/30/167588330.db2.gz NRDVDZYBAKXVKC-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@H](C#N)Nc1cccc(C#N)c1 43539269 167588336 /nfs/dbraw/zinc/58/83/36/167588336.db2.gz QGJMDAHAOWIPTM-SNVBAGLBSA-N 0 0 185.230 2.272 10 30 AEEERN CC[C@H](C#N)NCc1cccc(F)c1 43539569 167589372 /nfs/dbraw/zinc/58/93/72/167589372.db2.gz PMHUZSJIVYOKQO-LLVKDONJSA-N 0 0 192.237 2.217 10 30 AEEERN CC[C@H](C#N)c1cccnc1 34247032 167589682 /nfs/dbraw/zinc/58/96/82/167589682.db2.gz RRLKEXAHSJGITH-MRVPVSSYSA-N 0 0 146.193 2.099 10 30 AEEERN CC[C@H](C)/C=C/C(C)=O 5924435 167595053 /nfs/dbraw/zinc/59/50/53/167595053.db2.gz QDUQNQQMHZNNTG-XPPMVYLVSA-N 0 0 126.199 2.178 10 30 AEEERN CC[C@H](C)CCC#N 50428025 167595878 /nfs/dbraw/zinc/59/58/78/167595878.db2.gz UWADIKOEYXBKPD-ZETCQYMHSA-N 0 0 111.188 2.336 10 30 AEEERN CC[C@H](C)C(=O)[C@H](C)CC#N 51690433 167595913 /nfs/dbraw/zinc/59/59/13/167595913.db2.gz DVDNKHQIIHSGPZ-JGVFFNPUSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C)C(=O)[C@@H](C#N)CC 36916107 167596108 /nfs/dbraw/zinc/59/61/08/167596108.db2.gz DWKVOEUZSKVDEU-JGVFFNPUSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C)CC(C#N)C#N 44250320 167597564 /nfs/dbraw/zinc/59/75/64/167597564.db2.gz VZCFAXMVRIONBF-ZETCQYMHSA-N 0 0 136.198 2.086 10 30 AEEERN CC[C@H](C)CNc1ncccc1C#N 54473745 167602883 /nfs/dbraw/zinc/60/28/83/167602883.db2.gz AZQVMWJOXOWGHE-VIFPVBQESA-N 0 0 189.262 2.411 10 30 AEEERN CC[C@H](C)N(C)C(=O)[C@H](C#N)C(C)C 44815093 167603245 /nfs/dbraw/zinc/60/32/45/167603245.db2.gz SXTOIZRXIDSUQV-VHSXEESVSA-N 0 0 196.294 2.039 10 30 AEEERN CC[C@H](C)N(C)C(=O)[C@@H](C#N)C(C)C 44815089 167603330 /nfs/dbraw/zinc/60/33/30/167603330.db2.gz SXTOIZRXIDSUQV-UWVGGRQHSA-N 0 0 196.294 2.039 10 30 AEEERN CC[C@H](C)N(C)c1cc(C#N)ccn1 37110465 167605521 /nfs/dbraw/zinc/60/55/21/167605521.db2.gz OXBWANMVZAECDD-VIFPVBQESA-N 0 0 189.262 2.188 10 30 AEEERN CC[C@H](C)N(CC)C(=O)C(C)(C)C#N 44752537 167607838 /nfs/dbraw/zinc/60/78/38/167607838.db2.gz DLTBRROWJFRSHZ-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@H](C)NC1(C#N)CCSCC1 41048809 167612364 /nfs/dbraw/zinc/61/23/64/167612364.db2.gz CBWLICCJLVQDQS-VIFPVBQESA-N 0 0 198.335 2.164 10 30 AEEERN CC[C@H](C)NC1(C#N)CCCC1 38064593 167613586 /nfs/dbraw/zinc/61/35/86/167613586.db2.gz BOWJTLMMFIJLRL-VIFPVBQESA-N 0 0 166.268 2.211 10 30 AEEERN CC[C@H](C)NOC(=O)c1ccccc1 21995482 167614810 /nfs/dbraw/zinc/61/48/10/167614810.db2.gz JFJCKLNPXLBRGF-VIFPVBQESA-N 0 0 193.246 2.147 10 30 AEEERN CC[C@H](C)OC[C@@](C)(C#N)NC(C)C 45213941 167621007 /nfs/dbraw/zinc/62/10/07/167621007.db2.gz JDCZQHWESGXVLK-WDEREUQCSA-N 0 0 198.310 2.082 10 30 AEEERN CC[C@H](C)Nc1nc(C)ccc1C#N 43395387 167622264 /nfs/dbraw/zinc/62/22/64/167622264.db2.gz SSJUZRQJSWZHDR-QMMMGPOBSA-N 0 0 189.262 2.472 10 30 AEEERN CC[C@H](C)SCCS 32163239 167623041 /nfs/dbraw/zinc/62/30/41/167623041.db2.gz FVLJREBFJZSBHB-LURJTMIESA-N 0 0 150.312 2.448 10 30 AEEERN CC[C@H](C)SCC#N 19870154 167623105 /nfs/dbraw/zinc/62/31/05/167623105.db2.gz HPJLQUDKFUDOOD-LURJTMIESA-N 0 0 129.228 2.042 10 30 AEEERN CC[C@H](C)Oc1nc(C)ccc1C#N 43400537 167623340 /nfs/dbraw/zinc/62/33/40/167623340.db2.gz MVJHNUVNZVXBIY-VIFPVBQESA-N 0 0 190.246 2.439 10 30 AEEERN CC[C@H](C)SC[C@@](C)(C#N)NC 45216855 167623659 /nfs/dbraw/zinc/62/36/59/167623659.db2.gz AZVFGMILIIUQCY-DTWKUNHWSA-N 0 0 186.324 2.020 10 30 AEEERN CC[C@H](C)Oc1ccc(C#N)cn1 48264526 167623854 /nfs/dbraw/zinc/62/38/54/167623854.db2.gz GMSVKRHGZDJGHM-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN CC[C@H](C)[C@H](C#N)NC1CCCC1 41050172 167627719 /nfs/dbraw/zinc/62/77/19/167627719.db2.gz PDWKNRUUXHINOG-ONGXEEELSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C)c1ccc(C#N)c(N)n1 50871124 167633491 /nfs/dbraw/zinc/63/34/91/167633491.db2.gz LVEGEQAZCKMKLE-ZETCQYMHSA-N 0 0 175.235 2.049 10 30 AEEERN CC[C@H](C)c1cc(C#N)ccn1 75544711 167634933 /nfs/dbraw/zinc/63/49/33/167634933.db2.gz KLIOABYKSFGUQF-QMMMGPOBSA-N 0 0 160.220 2.467 10 30 AEEERN CC[C@H](C=O)c1cccc(OC)c1 41200327 167637335 /nfs/dbraw/zinc/63/73/35/167637335.db2.gz VRPPDXCRBLQPOB-SECBINFHSA-N 0 0 178.231 2.388 10 30 AEEERN CC[C@H](CC#N)Sc1cnn(C)c1 42406101 167640172 /nfs/dbraw/zinc/64/01/72/167640172.db2.gz LBSOVBLERJETQS-MRVPVSSYSA-N 0 0 195.291 2.204 10 30 AEEERN CC[C@H](CC#N)Oc1cccc(N)c1 38055328 167640698 /nfs/dbraw/zinc/64/06/98/167640698.db2.gz BCSXMDCAPRWSFS-SNVBAGLBSA-N 0 0 190.246 2.340 10 30 AEEERN CC[C@H](NC(=O)C(C)(C)C#N)C(C)C 44386138 167660016 /nfs/dbraw/zinc/66/00/16/167660016.db2.gz ISLSYJYMFVRKDY-VIFPVBQESA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](NCC#N)c1ccccc1 51628118 167664238 /nfs/dbraw/zinc/66/42/38/167664238.db2.gz BLQFNUBSZQTJEP-NSHDSACASA-N 0 0 174.247 2.251 10 30 AEEERN CC[C@H](O)c1ccc(C#N)cc1 38282217 167669790 /nfs/dbraw/zinc/66/97/90/167669790.db2.gz SANZOIKZCSMDJA-JTQLQIEISA-N 0 0 161.204 2.002 10 30 AEEERN CC[C@H]1CCC(O)=C1C(C)=O 100206814 167676406 /nfs/dbraw/zinc/67/64/06/167676406.db2.gz BVJKMFYPTKOOIZ-ZETCQYMHSA-N 0 0 154.209 2.208 10 30 AEEERN CC[C@H]1CCCC[C@@H]1OCC=O 43803646 167677723 /nfs/dbraw/zinc/67/77/23/167677723.db2.gz JQGWZWZNHAOBJE-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN CC[C@H]1CCCC[C@H]1OC[C@@H]1CO1 19504188 167677878 /nfs/dbraw/zinc/67/78/78/167677878.db2.gz HJNDMZXMHCYYHB-GARJFASQSA-N 0 0 184.279 2.371 10 30 AEEERN CC[C@H]1CCC[C@@H]1C=O 15204857 167683062 /nfs/dbraw/zinc/68/30/62/167683062.db2.gz GYZGPIMCDMSOTN-JGVFFNPUSA-N 0 0 126.199 2.012 10 30 AEEERN CC[C@H]1OC1(CC)CC 32218671 167699392 /nfs/dbraw/zinc/69/93/92/167699392.db2.gz CWJMXJPRLGJLKD-SSDOTTSWSA-N 0 0 128.215 2.354 10 30 AEEERN CC[C@](C#N)(c1ccccc1)N(C)C 37627176 167703294 /nfs/dbraw/zinc/70/32/94/167703294.db2.gz MBIWLWXPYUXMTL-LBPRGKRZSA-N 0 0 188.274 2.377 10 30 AEEERN CC[C@]1(C#N)CCCCC1=O 38292470 167707115 /nfs/dbraw/zinc/70/71/15/167707115.db2.gz OLAONGJRKUMWJT-SECBINFHSA-N 0 0 151.209 2.049 10 30 AEEERN CC[C@](O)(CC#N)c1ccccc1 34615831 167709374 /nfs/dbraw/zinc/70/93/74/167709374.db2.gz KAGWWLVKYHUJJI-NSHDSACASA-N 0 0 175.231 2.198 10 30 AEEERN CC[C@]1(C)C[C@@H](C=O)CCS1 75562990 167710058 /nfs/dbraw/zinc/71/00/58/167710058.db2.gz NJLQYHQXOBEBML-DTWKUNHWSA-N 0 0 172.293 2.497 10 30 AEEERN CCc1cc(C#N)c(OC2CC2)cn1 95721020 167721692 /nfs/dbraw/zinc/72/16/92/167721692.db2.gz WKVDULDWOSCLTO-UHFFFAOYSA-N 0 0 188.230 2.057 10 30 AEEERN CCc1cc(C#N)c(Cl)nc1C 124227109 167722813 /nfs/dbraw/zinc/72/28/13/167722813.db2.gz CIAOWSZWDCTPPE-UHFFFAOYSA-N 0 0 180.638 2.478 10 30 AEEERN CCc1c(OC2CC2)ccnc1C#N 95712528 167723782 /nfs/dbraw/zinc/72/37/82/167723782.db2.gz RSVGIEIASMLPTE-UHFFFAOYSA-N 0 0 188.230 2.057 10 30 AEEERN CCc1cc(C#N)c2ccccn12 5719339 167723798 /nfs/dbraw/zinc/72/37/98/167723798.db2.gz IAVNYMPZRRYBSJ-UHFFFAOYSA-N 0 0 170.215 2.373 10 30 AEEERN CCc1cc(Cl)cc(/C=N/O)c1O 100159577 167724386 /nfs/dbraw/zinc/72/43/86/167724386.db2.gz MJXMNZFQFUCVOH-VZUCSPMQSA-N 0 0 199.637 2.416 10 30 AEEERN CCc1ccc(C)c(C#N)c1 75537594 167732287 /nfs/dbraw/zinc/73/22/87/167732287.db2.gz HRXVJPGHYUOOAH-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN CCc1ccc(OC)c([C@H]2CO2)c1 71497450 167740199 /nfs/dbraw/zinc/74/01/99/167740199.db2.gz RQRSAFBWWUSPKM-LLVKDONJSA-N 0 0 178.231 2.329 10 30 AEEERN CCc1ccc([C@H](C#N)C=O)cc1 49805092 167741748 /nfs/dbraw/zinc/74/17/48/167741748.db2.gz IMTAAMWJIORCJD-LLVKDONJSA-N 0 0 173.215 2.055 10 30 AEEERN CCc1ccc([C@@]2(C)CO2)cc1 19729122 167741755 /nfs/dbraw/zinc/74/17/55/167741755.db2.gz HFBRZNJQTZNEPG-LLVKDONJSA-N 0 0 162.232 2.494 10 30 AEEERN CCc1ccc([C@H](C)NCC#N)cc1 37980683 167742049 /nfs/dbraw/zinc/74/20/49/167742049.db2.gz QKLJKYGMPADXNL-JTQLQIEISA-N 0 0 188.274 2.423 10 30 AEEERN CCc1ccc([C@@H]2CO2)s1 41062321 167743166 /nfs/dbraw/zinc/74/31/66/167743166.db2.gz WJQBFUITPUTRAD-ZETCQYMHSA-N 0 0 154.234 2.382 10 30 AEEERN CCc1ccc2c(c1)C(=O)C[C@@H]2C#N 58520388 167744988 /nfs/dbraw/zinc/74/49/88/167744988.db2.gz FHOOHDJTJQUPGT-SECBINFHSA-N 0 0 185.226 2.443 10 30 AEEERN CCc1cccc2c(N)c(C#N)cnc12 50842302 167749425 /nfs/dbraw/zinc/74/94/25/167749425.db2.gz CWHBJCNQLORFNG-UHFFFAOYSA-N 0 0 197.241 2.251 10 30 AEEERN CCc1cccc2c1NC[C@H]2C#N 71486967 167753857 /nfs/dbraw/zinc/75/38/57/167753857.db2.gz QGRKUHDFICZHRA-SECBINFHSA-N 0 0 172.231 2.282 10 30 AEEERN CCc1ccsc1C#N 83267520 167754417 /nfs/dbraw/zinc/75/44/17/167754417.db2.gz SXDDWBJTMGEKPD-UHFFFAOYSA-N 0 0 137.207 2.182 10 30 AEEERN CCc1nc(C)c(CC#N)s1 82418937 167763953 /nfs/dbraw/zinc/76/39/53/167763953.db2.gz DRDJONRYAIALKE-UHFFFAOYSA-N 0 0 166.249 2.080 10 30 AEEERN CCc1nc(CC)c(CC#N)s1 82422464 167768437 /nfs/dbraw/zinc/76/84/37/167768437.db2.gz SDUIRAFEYZNSRO-UHFFFAOYSA-N 0 0 180.276 2.334 10 30 AEEERN CCc1nccn1-c1ccc(C#N)cc1 42419789 167779388 /nfs/dbraw/zinc/77/93/88/167779388.db2.gz LCYGVFMCWSEEOV-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CCc1nn(C)c2ccc(C#N)cc12 76190471 167784147 /nfs/dbraw/zinc/78/41/47/167784147.db2.gz XXNWUALQFXIKCV-UHFFFAOYSA-N 0 0 185.230 2.007 10 30 AEEERN CCc1occc1[C@@H](C)C=O 75539512 167793192 /nfs/dbraw/zinc/79/31/92/167793192.db2.gz RDACDUZLDPESQG-ZETCQYMHSA-N 0 0 152.193 2.144 10 30 AEEERN CCn1c(C)cc(CC#N)c1C 82587580 167795319 /nfs/dbraw/zinc/79/53/19/167795319.db2.gz WYGLVQDUHPFVDZ-UHFFFAOYSA-N 0 0 162.236 2.191 10 30 AEEERN CCn1cnc2cc(CC#N)ccc21 82588101 167807591 /nfs/dbraw/zinc/80/75/91/167807591.db2.gz RYVWJVQYGCCACC-UHFFFAOYSA-N 0 0 185.230 2.122 10 30 AEEERN CCn1nc(C)c([C@H](C)C#N)c1C 45169201 167810191 /nfs/dbraw/zinc/81/01/91/167810191.db2.gz PNCMXRUFFQCHCM-SSDOTTSWSA-N 0 0 177.251 2.147 10 30 AEEERN CN(C)/C=N\C(=S)c1cccs1 5197800 167820002 /nfs/dbraw/zinc/82/00/02/167820002.db2.gz SWIZYYGZYPBGCL-TWGQIWQCSA-N 0 0 198.316 2.014 10 30 AEEERN CN(C)Cc1cc(Cl)ccc1C#N 238330679 167846584 /nfs/dbraw/zinc/84/65/84/167846584.db2.gz ONXMZVOXZOLLKN-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN CN(C)[C@@](C)(C#N)c1cccs1 58519724 167850513 /nfs/dbraw/zinc/85/05/13/167850513.db2.gz RBZDRNNFNSYCLB-VIFPVBQESA-N 0 0 180.276 2.048 10 30 AEEERN CN(C)c1cc(Cl)ccc1C#N 62789851 167853514 /nfs/dbraw/zinc/85/35/14/167853514.db2.gz ITRZFSSOMOWKTF-UHFFFAOYSA-N 0 0 180.638 2.278 10 30 AEEERN CN(C)c1cc(F)c(CC#N)cc1F 75898794 167854141 /nfs/dbraw/zinc/85/41/41/167854141.db2.gz XYQJKKLZKQVCPN-UHFFFAOYSA-N 0 0 196.200 2.097 10 30 AEEERN CN(C)c1c(F)cc(CC#N)cc1F 75898797 167854461 /nfs/dbraw/zinc/85/44/61/167854461.db2.gz WJSDMRCDWXKSGY-UHFFFAOYSA-N 0 0 196.200 2.097 10 30 AEEERN CN(C)c1c(C#N)cnc2ccccc12 36913254 167855042 /nfs/dbraw/zinc/85/50/42/167855042.db2.gz YTYJOJKYJZVNNA-UHFFFAOYSA-N 0 0 197.241 2.172 10 30 AEEERN CN(C)c1ccc([C@@H]2C[C@@H]2C=O)cc1 75422194 167855987 /nfs/dbraw/zinc/85/59/87/167855987.db2.gz VYDYXUPQFLKZQJ-PWSUYJOCSA-N 0 0 189.258 2.055 10 30 AEEERN CN(C)c1ccc([C@H]2C[C@@H]2C#N)cc1 41203514 167856339 /nfs/dbraw/zinc/85/63/39/167856339.db2.gz DEEJTIVDOCSRCM-ZYHUDNBSSA-N 0 0 186.258 2.380 10 30 AEEERN CN(C)c1ccc([C@@H]2C[C@H]2C=O)cc1 75422196 167856906 /nfs/dbraw/zinc/85/69/06/167856906.db2.gz VYDYXUPQFLKZQJ-JQWIXIFHSA-N 0 0 189.258 2.055 10 30 AEEERN CN(C)c1cccc(OCCC#N)c1 40437276 167858740 /nfs/dbraw/zinc/85/87/40/167858740.db2.gz DNOKHARFSWNLKE-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN CN(C)c1cccc(Cl)c1C#N 49933760 167859110 /nfs/dbraw/zinc/85/91/10/167859110.db2.gz RNCUHZYQTMHVKF-UHFFFAOYSA-N 0 0 180.638 2.278 10 30 AEEERN CN(CCC#N)c1cccc(F)c1 49805426 167873100 /nfs/dbraw/zinc/87/31/00/167873100.db2.gz UNXVYUPEBWWUQF-UHFFFAOYSA-N 0 0 178.210 2.176 10 30 AEEERN CN(CCCC#N)c1ccccc1N 50014971 167874840 /nfs/dbraw/zinc/87/48/40/167874840.db2.gz DSWDSCWRFRJZAR-UHFFFAOYSA-N 0 0 189.262 2.009 10 30 AEEERN CN(c1ccccc1C#N)C1CC1 37023850 167892989 /nfs/dbraw/zinc/89/29/89/167892989.db2.gz MRQFESOEFLEWLS-UHFFFAOYSA-N 0 0 172.231 2.157 10 30 AEEERN CN(c1ccco1)c1ncccc1C#N 95931517 167894033 /nfs/dbraw/zinc/89/40/33/167894033.db2.gz CSAMOPDSPNTJIB-UHFFFAOYSA-N 0 0 199.213 2.314 10 30 AEEERN C#CC(C)(C)Oc1cccc(C=O)c1 135080109 343954293 /nfs/dbraw/zinc/95/42/93/343954293.db2.gz VWOILPLAMGGGEN-UHFFFAOYSA-N 0 0 188.226 2.290 10 30 AEEERN C#CCCC[C@]1(O)C=CCCC1 135113178 343954822 /nfs/dbraw/zinc/95/48/22/343954822.db2.gz VTGDJJIGGGVYCK-NSHDSACASA-N 0 0 164.248 2.261 10 30 AEEERN Cc1ccnc(OC(C)C)c1C#N 135089163 343954860 /nfs/dbraw/zinc/95/48/60/343954860.db2.gz QYWMQPDFQOJNJK-UHFFFAOYSA-N 0 0 176.219 2.049 10 30 AEEERN Cc1ccnc(OCC(C)C)c1C#N 135088873 343954867 /nfs/dbraw/zinc/95/48/67/343954867.db2.gz LBTOKERGGYGSMZ-UHFFFAOYSA-N 0 0 190.246 2.297 10 30 AEEERN CN[C@@H](C#N)c1cc(C)cc(C)c1 43394556 168027754 /nfs/dbraw/zinc/02/77/54/168027754.db2.gz MVIOWLKJYYPXRO-NSHDSACASA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@@H](C#N)c1ccc(SC)cc1 26516481 168027782 /nfs/dbraw/zinc/02/77/82/168027782.db2.gz FSZBIDNMKDAWFV-JTQLQIEISA-N 0 0 192.287 2.193 10 30 AEEERN CN[C@@H](C#N)c1ccccc1Cl 20173607 168028268 /nfs/dbraw/zinc/02/82/68/168028268.db2.gz WLPSCBCFPTVLLY-VIFPVBQESA-N 0 0 180.638 2.124 10 30 AEEERN CN[C@@H](C#N)c1c(F)cccc1Cl 20175197 168028294 /nfs/dbraw/zinc/02/82/94/168028294.db2.gz UEXCXOSBBZBVEE-QMMMGPOBSA-N 0 0 198.628 2.263 10 30 AEEERN CN[C@@H](C#N)c1cc(C)ccc1C 49670596 168028612 /nfs/dbraw/zinc/02/86/12/168028612.db2.gz YNNIQUDNEWKWBF-NSHDSACASA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@@H](C#N)c1ccc(C)cc1C 26515906 168028755 /nfs/dbraw/zinc/02/87/55/168028755.db2.gz CZMNDEQGYPOXON-NSHDSACASA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@@H](C#N)c1c(C)cc(C)cc1C 20378681 168028975 /nfs/dbraw/zinc/02/89/75/168028975.db2.gz OPEBIQHZKZERSA-NSHDSACASA-N 0 0 188.274 2.396 10 30 AEEERN CN[C@@H](C#N)c1ccc(C)c(C)c1 37180303 168029017 /nfs/dbraw/zinc/02/90/17/168029017.db2.gz GBEQQLAHPJSATL-NSHDSACASA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@@H](C#N)c1cc(C)sc1C 49687499 168029160 /nfs/dbraw/zinc/02/91/60/168029160.db2.gz FZHFBLVASGDNMA-VIFPVBQESA-N 0 0 180.276 2.149 10 30 AEEERN CN[C@@H](C#N)c1cccc(C)c1C 43315099 168029227 /nfs/dbraw/zinc/02/92/27/168029227.db2.gz OUNMZNDTRKFVDI-NSHDSACASA-N 0 0 174.247 2.088 10 30 AEEERN CC[C@@H](CC#N)Sc1cnn(C)c1 42406099 167502236 /nfs/dbraw/zinc/50/22/36/167502236.db2.gz LBSOVBLERJETQS-QMMMGPOBSA-N 0 0 195.291 2.204 10 30 AEEERN CC[C@@H](CC#N)Oc1ccccc1N 38056086 167502861 /nfs/dbraw/zinc/50/28/61/167502861.db2.gz BRCNZAUIMAFKMG-VIFPVBQESA-N 0 0 190.246 2.340 10 30 AEEERN CC[C@@H](CC#N)n1nc(C)cc1C 36677509 167503715 /nfs/dbraw/zinc/50/37/15/167503715.db2.gz CROKHGOPFRZKHE-JTQLQIEISA-N 0 0 177.251 2.365 10 30 AEEERN CC[C@@H](CC#N)n1cc(C)cn1 37677280 167504472 /nfs/dbraw/zinc/50/44/72/167504472.db2.gz HXIBPSPZBNAQIB-VIFPVBQESA-N 0 0 163.224 2.056 10 30 AEEERN CN[C@@](C)(C#N)C1CCCCC1 37367005 168044816 /nfs/dbraw/zinc/04/48/16/168044816.db2.gz UQWSFDPCMQHNPE-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN CN[C@@](C)(C#N)CCCCOC(C)C 45325887 168044948 /nfs/dbraw/zinc/04/49/48/168044948.db2.gz ZOLKPTXSMGWORW-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN CN[C@@](C)(C#N)CCCCSC 45366417 168044991 /nfs/dbraw/zinc/04/49/91/168044991.db2.gz CKZRJMMHYWINAR-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN CN[C@@]1(C#N)CCCc2sccc21 61329599 168045032 /nfs/dbraw/zinc/04/50/32/168045032.db2.gz BZYSDWPVPDPFLQ-SNVBAGLBSA-N 0 0 192.287 2.023 10 30 AEEERN CN[C@@](C)(C#N)CCc1ccccc1 20378796 168045238 /nfs/dbraw/zinc/04/52/38/168045238.db2.gz JBFNHBRTXUBYGO-GFCCVEGCSA-N 0 0 188.274 2.121 10 30 AEEERN CN[C@@](C)(C#N)c1ccc(Cl)cc1 26516571 168045549 /nfs/dbraw/zinc/04/55/49/168045549.db2.gz ZEVYWOWGPSTNHT-JTQLQIEISA-N 0 0 194.665 2.298 10 30 AEEERN CN[C@@](C)(C#N)CSC(C)(C)C 45217022 168045679 /nfs/dbraw/zinc/04/56/79/168045679.db2.gz YGERQTDUYXFJFB-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN CN[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 20377996 168045737 /nfs/dbraw/zinc/04/57/37/168045737.db2.gz RYLBEQSGIJSWTD-ONGXEEELSA-N 0 0 180.295 2.314 10 30 AEEERN CN[C@@](C)(C#N)c1ccccc1Cl 40177196 168045883 /nfs/dbraw/zinc/04/58/83/168045883.db2.gz KMABHOOFUQPBFU-JTQLQIEISA-N 0 0 194.665 2.298 10 30 AEEERN CN[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 20378004 168046303 /nfs/dbraw/zinc/04/63/03/168046303.db2.gz RYLBEQSGIJSWTD-KOLCDFICSA-N 0 0 180.295 2.314 10 30 AEEERN CN[C@@](C)(C#N)c1cccc(Cl)c1 26516567 168046402 /nfs/dbraw/zinc/04/64/02/168046402.db2.gz KIGPTCOGQSLMEK-JTQLQIEISA-N 0 0 194.665 2.298 10 30 AEEERN CN[C@H](C#N)c1cc(C)ccc1C 49670595 168046537 /nfs/dbraw/zinc/04/65/37/168046537.db2.gz YNNIQUDNEWKWBF-LLVKDONJSA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@H](C#N)c1c(F)cccc1Cl 20175198 168046648 /nfs/dbraw/zinc/04/66/48/168046648.db2.gz UEXCXOSBBZBVEE-MRVPVSSYSA-N 0 0 198.628 2.263 10 30 AEEERN CN[C@H](C#N)c1ccc(C)c(C)c1 37180301 168046796 /nfs/dbraw/zinc/04/67/96/168046796.db2.gz GBEQQLAHPJSATL-LLVKDONJSA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@H](C#N)c1cc(C)sc1C 49687498 168046883 /nfs/dbraw/zinc/04/68/83/168046883.db2.gz FZHFBLVASGDNMA-SECBINFHSA-N 0 0 180.276 2.149 10 30 AEEERN CN[C@H](C#N)c1cccc(C)c1C 43315097 168047006 /nfs/dbraw/zinc/04/70/06/168047006.db2.gz OUNMZNDTRKFVDI-LLVKDONJSA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@H](C#N)CSC1CCCCC1 45366185 168047353 /nfs/dbraw/zinc/04/73/53/168047353.db2.gz IKGYZWJHKMICSQ-SECBINFHSA-N 0 0 198.335 2.164 10 30 AEEERN CN[C@H](C#N)c1c(C)cc(C)cc1C 20378685 168047514 /nfs/dbraw/zinc/04/75/14/168047514.db2.gz OPEBIQHZKZERSA-LLVKDONJSA-N 0 0 188.274 2.396 10 30 AEEERN CN[C@H](C#N)c1cc(C)cc(C)c1 43394554 168047635 /nfs/dbraw/zinc/04/76/35/168047635.db2.gz MVIOWLKJYYPXRO-LLVKDONJSA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@H](C#N)c1ccc(C)cc1C 26515908 168047841 /nfs/dbraw/zinc/04/78/41/168047841.db2.gz CZMNDEQGYPOXON-LLVKDONJSA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@H](C#N)c1ccccc1Cl 20173608 168047871 /nfs/dbraw/zinc/04/78/71/168047871.db2.gz WLPSCBCFPTVLLY-SECBINFHSA-N 0 0 180.638 2.124 10 30 AEEERN CN[C@H](C#N)c1ccc(SC)cc1 26516483 168047904 /nfs/dbraw/zinc/04/79/04/168047904.db2.gz FSZBIDNMKDAWFV-SNVBAGLBSA-N 0 0 192.287 2.193 10 30 AEEERN CN[C@]1(C#N)C[C@H](C)CC(C)(C)C1 20378008 168060414 /nfs/dbraw/zinc/06/04/14/168060414.db2.gz RYLBEQSGIJSWTD-MWLCHTKSSA-N 0 0 180.295 2.314 10 30 AEEERN CN[C@](C)(C#N)c1cccc(Cl)c1 26516569 168060424 /nfs/dbraw/zinc/06/04/24/168060424.db2.gz KIGPTCOGQSLMEK-SNVBAGLBSA-N 0 0 194.665 2.298 10 30 AEEERN CN[C@](C)(C#N)CSC(C)(C)C 45217021 168060509 /nfs/dbraw/zinc/06/05/09/168060509.db2.gz YGERQTDUYXFJFB-SECBINFHSA-N 0 0 186.324 2.020 10 30 AEEERN CN[C@](C)(C#N)c1ccccc1Cl 40177195 168060604 /nfs/dbraw/zinc/06/06/04/168060604.db2.gz KMABHOOFUQPBFU-SNVBAGLBSA-N 0 0 194.665 2.298 10 30 AEEERN CN[C@](C)(C#N)CCCCSC 45366419 168060786 /nfs/dbraw/zinc/06/07/86/168060786.db2.gz CKZRJMMHYWINAR-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN CN[C@]1(C#N)CCCc2sccc21 61329595 168060929 /nfs/dbraw/zinc/06/09/29/168060929.db2.gz BZYSDWPVPDPFLQ-JTQLQIEISA-N 0 0 192.287 2.023 10 30 AEEERN CN[C@](C)(C#N)CCCCOC(C)C 45325885 168061536 /nfs/dbraw/zinc/06/15/36/168061536.db2.gz ZOLKPTXSMGWORW-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN CN[C@](C)(C#N)C1CCCCC1 37367003 168061613 /nfs/dbraw/zinc/06/16/13/168061613.db2.gz UQWSFDPCMQHNPE-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CN[C@](C)(C#N)c1ccc(Cl)cc1 26516573 168061889 /nfs/dbraw/zinc/06/18/89/168061889.db2.gz ZEVYWOWGPSTNHT-SNVBAGLBSA-N 0 0 194.665 2.298 10 30 AEEERN CN[C@](C)(C#N)CCc1ccccc1 20378792 168061911 /nfs/dbraw/zinc/06/19/11/168061911.db2.gz JBFNHBRTXUBYGO-LBPRGKRZSA-N 0 0 188.274 2.121 10 30 AEEERN CN[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 20378000 168062093 /nfs/dbraw/zinc/06/20/93/168062093.db2.gz RYLBEQSGIJSWTD-GXSJLCMTSA-N 0 0 180.295 2.314 10 30 AEEERN CNc1c(C#N)cnc2ccccc12 37507616 168062231 /nfs/dbraw/zinc/06/22/31/168062231.db2.gz STMVPWLKJATZJQ-UHFFFAOYSA-N 0 0 183.214 2.148 10 30 AEEERN CNc1c(C#N)cnc2c(C)cccc12 50842824 168062630 /nfs/dbraw/zinc/06/26/30/168062630.db2.gz CQANOHBGNKJRDL-UHFFFAOYSA-N 0 0 197.241 2.457 10 30 AEEERN CNc1cc(C#N)cc(F)c1C 62796879 168062767 /nfs/dbraw/zinc/06/27/67/168062767.db2.gz YKRKAAHXVRBIEI-UHFFFAOYSA-N 0 0 164.183 2.048 10 30 AEEERN CNc1c(C#N)cnc2ccc(C)cc12 50842233 168063182 /nfs/dbraw/zinc/06/31/82/168063182.db2.gz CCKPKXYCKVSITD-UHFFFAOYSA-N 0 0 197.241 2.457 10 30 AEEERN CNc1c(C#N)cccc1OC1CC1 95729134 168063706 /nfs/dbraw/zinc/06/37/06/168063706.db2.gz GRMVYZJCQGNQRN-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1cc(C#N)ccc1OC1CC1 95730517 168063817 /nfs/dbraw/zinc/06/38/17/168063817.db2.gz RKGNZTFLAFMRHL-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1cc(OC2CC2)ccc1C#N 95724787 168065143 /nfs/dbraw/zinc/06/51/43/168065143.db2.gz FYPNGVRBEBXMOF-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1cccc(C#N)c1OC1CC1 95726095 168066099 /nfs/dbraw/zinc/06/60/99/168066099.db2.gz NXAAXNBJEWRECP-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1ccc(OC[C@H](C)C#N)cc1 38057238 168066175 /nfs/dbraw/zinc/06/61/75/168066175.db2.gz JGRNYMONAFJZKZ-SECBINFHSA-N 0 0 190.246 2.267 10 30 AEEERN CNc1ccc(O[C@@H](C)C#N)cc1 43518985 168066410 /nfs/dbraw/zinc/06/64/10/168066410.db2.gz VUZSTWQBJLLPGS-QMMMGPOBSA-N 0 0 176.219 2.019 10 30 AEEERN CNc1ccc(O[C@@H](C)CC#N)cc1 38057254 168066490 /nfs/dbraw/zinc/06/64/90/168066490.db2.gz RAOXJRYTKSVUBU-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN CNc1ccc(O[C@H](C)CC#N)cc1 38057255 168066506 /nfs/dbraw/zinc/06/65/06/168066506.db2.gz RAOXJRYTKSVUBU-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN CNc1ccc(OCCC#N)cc1 38057235 168066697 /nfs/dbraw/zinc/06/66/97/168066697.db2.gz DJASRHQHTKZPLB-UHFFFAOYSA-N 0 0 176.219 2.021 10 30 AEEERN CNc1ccc(OC[C@@H](C)C#N)cc1 38057239 168067049 /nfs/dbraw/zinc/06/70/49/168067049.db2.gz JGRNYMONAFJZKZ-VIFPVBQESA-N 0 0 190.246 2.267 10 30 AEEERN CNc1ccc(O[C@H](C)C#N)cc1 43518988 168067408 /nfs/dbraw/zinc/06/74/08/168067408.db2.gz VUZSTWQBJLLPGS-MRVPVSSYSA-N 0 0 176.219 2.019 10 30 AEEERN CNc1ccc(OC2CC2)c(C#N)c1 95730074 168067641 /nfs/dbraw/zinc/06/76/41/168067641.db2.gz NWNNBONUEBPZON-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1ccc2[nH]cc(CC#N)c2c1 39295947 168067705 /nfs/dbraw/zinc/06/77/05/168067705.db2.gz DBLQFXNZAWIKCH-UHFFFAOYSA-N 0 0 185.230 2.276 10 30 AEEERN CNc1ccc(OC2CC2)cc1C#N 95730196 168067740 /nfs/dbraw/zinc/06/77/40/168067740.db2.gz XSDJQRVRXGYMIN-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1ccnc2cc(C#N)ccc12 96928488 168068569 /nfs/dbraw/zinc/06/85/69/168068569.db2.gz UQZQSIKSQJXMAU-UHFFFAOYSA-N 0 0 183.214 2.148 10 30 AEEERN CNc1cccc(SC)c1C#N 38301688 168068717 /nfs/dbraw/zinc/06/87/17/168068717.db2.gz WAWRCAUDDAMIDB-UHFFFAOYSA-N 0 0 178.260 2.322 10 30 AEEERN CNc1cccc(OC2CC2)c1C#N 95730779 168068803 /nfs/dbraw/zinc/06/88/03/168068803.db2.gz MMNJROAIGNVTLF-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN CNc1nc(C(C)C)ccc1C#N 50871431 168069391 /nfs/dbraw/zinc/06/93/91/168069391.db2.gz AMWSLWUWLZNPKX-UHFFFAOYSA-N 0 0 175.235 2.118 10 30 AEEERN CNc1nc(C(C)C)c(C)cc1C#N 50871300 168069444 /nfs/dbraw/zinc/06/94/44/168069444.db2.gz CLBUYBMIWMWKNK-UHFFFAOYSA-N 0 0 189.262 2.427 10 30 AEEERN CO/C(=C\C(C)=O)c1ccccc1 37628546 168073619 /nfs/dbraw/zinc/07/36/19/168073619.db2.gz SPVWPRJZBYNUFC-FLIBITNWSA-N 0 0 176.215 2.263 10 30 AEEERN CNc1oc2ccc(O)cc2c1C#N 75578292 168073834 /nfs/dbraw/zinc/07/38/34/168073834.db2.gz RWYPUYNDASLBKS-UHFFFAOYSA-N 0 0 188.186 2.052 10 30 AEEERN CNc1sc(C)c(C)c1C#N 62796680 168074261 /nfs/dbraw/zinc/07/42/61/168074261.db2.gz SODHKGNTDGDKPI-UHFFFAOYSA-N 0 0 166.249 2.278 10 30 AEEERN CO/C=N/c1cccc([N+](=O)[O-])c1C 113466108 168074878 /nfs/dbraw/zinc/07/48/78/168074878.db2.gz NWPDAQSMHZKFEW-UXBLZVDNSA-N 0 0 194.190 2.209 10 30 AEEERN CO/N=C1\CCCC[C@@H]1C 33839367 168074916 /nfs/dbraw/zinc/07/49/16/168074916.db2.gz RDIZKCYOXFFPNV-MXMZYCHESA-N 0 0 141.214 2.199 10 30 AEEERN CO/N=C1/CCCc2ccccc21 95930593 168075030 /nfs/dbraw/zinc/07/50/30/168075030.db2.gz ZDJHOSYGYLPXKT-QXMHVHEDSA-N 0 0 175.231 2.373 10 30 AEEERN CO/N=C/c1nc2ccccc2s1 4390007 168075101 /nfs/dbraw/zinc/07/51/01/168075101.db2.gz OIADNSGJQYJJFQ-UXBLZVDNSA-N 0 0 192.243 2.277 10 30 AEEERN CO/N=C\c1nc2ccccc2s1 33365018 168075132 /nfs/dbraw/zinc/07/51/32/168075132.db2.gz OIADNSGJQYJJFQ-POHAHGRESA-N 0 0 192.243 2.277 10 30 AEEERN CO/N=C1\CCOc2ccc(C)cc21 95742353 168075301 /nfs/dbraw/zinc/07/53/01/168075301.db2.gz PQXMCJHBSNVRDL-ZRDIBKRKSA-N 0 0 191.230 2.128 10 30 AEEERN CO/N=C1\CCCC[C@H]1C 33839366 168075424 /nfs/dbraw/zinc/07/54/24/168075424.db2.gz RDIZKCYOXFFPNV-BDGYDECCSA-N 0 0 141.214 2.199 10 30 AEEERN CON=C(N)c1ccc(C(C)C)cc1 82530601 168075564 /nfs/dbraw/zinc/07/55/64/168075564.db2.gz QHFHADKHUJIZHJ-UHFFFAOYSA-N 0 0 192.262 2.077 10 30 AEEERN CO/N=C(/Cl)C(=O)c1ccccc1 100196175 168075768 /nfs/dbraw/zinc/07/57/68/168075768.db2.gz NZUYTSBKXGMWLA-PKNBQFBNSA-N 0 0 197.621 2.068 10 30 AEEERN CO/N=C(/C)c1ccc(O)c(C)c1 168073620 168075851 /nfs/dbraw/zinc/07/58/51/168075851.db2.gz QWTPIWLCXYFPND-FLIBITNWSA-N 0 0 179.219 2.071 10 30 AEEERN COC(=O)/N=C/C=C/c1ccco1 34605987 168077892 /nfs/dbraw/zinc/07/78/92/168077892.db2.gz DITACATWCXRKDK-QKZJIALXSA-N 0 0 179.175 2.130 10 30 AEEERN COC(=O)/N=C/c1cccc(F)c1 135815259 168078073 /nfs/dbraw/zinc/07/80/73/168078073.db2.gz OCOJHVHJLQEMFK-IZZDOVSWSA-N 0 0 181.166 2.011 10 30 AEEERN COC(=O)/N=C/c1cccc(C)c1 142533873 168078140 /nfs/dbraw/zinc/07/81/40/168078140.db2.gz DWXLHXIRUTVUEW-YRNVUSSQSA-N 0 0 177.203 2.180 10 30 AEEERN COC(=O)/N=C/c1ccc(C)cc1 2510981 168078857 /nfs/dbraw/zinc/07/88/57/168078857.db2.gz JJIZKBSNCVIUQT-YRNVUSSQSA-N 0 0 177.203 2.180 10 30 AEEERN COC(=O)/N=N/C1(C#N)CCCCC1 62720294 168079555 /nfs/dbraw/zinc/07/95/55/168079555.db2.gz PVAWIMNEZXUHNY-VAWYXSNFSA-N 0 0 195.222 2.431 10 30 AEEERN COC(=O)C1(C#N)CCCCCC1 49715739 168080324 /nfs/dbraw/zinc/08/03/24/168080324.db2.gz KQQNOIWXHRYGCB-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN Cc1cccc(F)c1N[C@@H](C)C#N 135239220 343957946 /nfs/dbraw/zinc/95/79/46/343957946.db2.gz SUQHTUZDPJCMIV-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN N#CCNc1c(F)cccc1Cl 135248552 343957949 /nfs/dbraw/zinc/95/79/49/343957949.db2.gz KKNFBTUZWZKKIY-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN C#CC(=O)C=C1CCCCC1 135350053 343959585 /nfs/dbraw/zinc/95/95/85/343959585.db2.gz ACBXSODZZDCIOC-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN COC(=O)Nc1scc(C)c1C#N 34206224 168103894 /nfs/dbraw/zinc/10/38/94/168103894.db2.gz VGDHGRFMZHHPCO-UHFFFAOYSA-N 0 0 196.231 2.107 10 30 AEEERN COC(=O)[C@@H](C#N)C1=CCCCCC1 62720080 168104154 /nfs/dbraw/zinc/10/41/54/168104154.db2.gz WQPUELWDUYBPOC-JTQLQIEISA-N 0 0 193.246 2.190 10 30 AEEERN COC(=O)Nc1cc(C#N)ccc1C 50266222 168104280 /nfs/dbraw/zinc/10/42/80/168104280.db2.gz NQWMQPKVYVKKDB-UHFFFAOYSA-N 0 0 190.202 2.045 10 30 AEEERN CC(=O)/C=C/c1occc1C 135358218 343960086 /nfs/dbraw/zinc/96/00/86/343960086.db2.gz FZKUTIWCKUGLIF-ONEGZZNKSA-N 0 0 150.177 2.190 10 30 AEEERN COC(=O)[C@@H]1O[C@@]1(C)CCC=C(C)C 38171758 168113264 /nfs/dbraw/zinc/11/32/64/168113264.db2.gz XMILIFWSJFWFFU-ONGXEEELSA-N 0 0 198.262 2.063 10 30 AEEERN COC(=O)[C@@](C)(C#N)C1=CCCCC1 33605656 168113832 /nfs/dbraw/zinc/11/38/32/168113832.db2.gz AMOPLTIGAMSRMW-NSHDSACASA-N 0 0 193.246 2.190 10 30 AEEERN COC(=O)[C@@H]1O[C@]1(C)CCC=C(C)C 38171757 168114371 /nfs/dbraw/zinc/11/43/71/168114371.db2.gz XMILIFWSJFWFFU-GXSJLCMTSA-N 0 0 198.262 2.063 10 30 AEEERN COC(=O)[C@H](C#N)C1=CCCCCC1 62720082 168114856 /nfs/dbraw/zinc/11/48/56/168114856.db2.gz WQPUELWDUYBPOC-SNVBAGLBSA-N 0 0 193.246 2.190 10 30 AEEERN COC(=O)[C@@]1(C#N)CC12CCCCC2 21991149 168115908 /nfs/dbraw/zinc/11/59/08/168115908.db2.gz VCRYIEDRMFKQJR-NSHDSACASA-N 0 0 193.246 2.024 10 30 AEEERN COC(=O)[C@H]1O[C@]1(C)CCC=C(C)C 38171759 168124320 /nfs/dbraw/zinc/12/43/20/168124320.db2.gz XMILIFWSJFWFFU-MWLCHTKSSA-N 0 0 198.262 2.063 10 30 AEEERN COC(=O)[C@H]1O[C@@]1(C)CCC=C(C)C 38171760 168124322 /nfs/dbraw/zinc/12/43/22/168124322.db2.gz XMILIFWSJFWFFU-KOLCDFICSA-N 0 0 198.262 2.063 10 30 AEEERN COC(=O)[C@](C)(C#N)C1=CCCCC1 33605658 168124740 /nfs/dbraw/zinc/12/47/40/168124740.db2.gz AMOPLTIGAMSRMW-LLVKDONJSA-N 0 0 193.246 2.190 10 30 AEEERN COC(=O)[C@]1(C#N)CC12CCCCC2 21991152 168124871 /nfs/dbraw/zinc/12/48/71/168124871.db2.gz VCRYIEDRMFKQJR-LLVKDONJSA-N 0 0 193.246 2.024 10 30 AEEERN Cc1ccc(F)c(C#CC(C)(C)O)c1 135120139 343955280 /nfs/dbraw/zinc/95/52/80/343955280.db2.gz ZBODBRAPQOCOFI-UHFFFAOYSA-N 0 0 192.233 2.257 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)c(C#N)c1 135169002 343956265 /nfs/dbraw/zinc/95/62/65/343956265.db2.gz UZHMAGSWNXIDSF-QMMMGPOBSA-N 0 0 188.205 2.131 10 30 AEEERN COC(OC)/C(C)=N/C1CCCCC1 21997345 168142402 /nfs/dbraw/zinc/14/24/02/168142402.db2.gz RZMKHVCHWZWIMZ-FMIVXFBMSA-N 0 0 199.294 2.399 10 30 AEEERN COC1=C(C(=O)C(F)(F)F)CCC1 34514711 168143162 /nfs/dbraw/zinc/14/31/62/168143162.db2.gz WXHFXYXDADBXDG-UHFFFAOYSA-N 0 0 194.152 2.202 10 30 AEEERN COC1=C(C)CC(C)(C)CC1=O 36419912 168143438 /nfs/dbraw/zinc/14/34/38/168143438.db2.gz BRXDVFXLLXAJKA-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN COC1(CC=O)CCCCCC1 39089684 168143460 /nfs/dbraw/zinc/14/34/60/168143460.db2.gz XNESWFSKYBWSRP-UHFFFAOYSA-N 0 0 170.252 2.315 10 30 AEEERN COC1=C(C(C)C)C(=O)CCC1 39104268 168143962 /nfs/dbraw/zinc/14/39/62/168143962.db2.gz VRSGVGJNAXYBKS-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN COC1=C(Cl)C(=O)C(Cl)=CC1 34227452 168144894 /nfs/dbraw/zinc/14/48/94/168144894.db2.gz UXKUGZSZSKDHLN-UHFFFAOYSA-N 0 0 193.029 2.179 10 30 AEEERN COC=C1CCC(C#N)CC1 34087303 168146868 /nfs/dbraw/zinc/14/68/68/168146868.db2.gz APJYCJWBTIOXAY-UHFFFAOYSA-N 0 0 151.209 2.230 10 30 AEEERN C#C[C@@H](C)Nc1c(F)cccc1F 135165147 343956312 /nfs/dbraw/zinc/95/63/12/343956312.db2.gz WQKBGUSLSLPZBH-SSDOTTSWSA-N 0 0 181.185 2.398 10 30 AEEERN COCCCC[C@@](C)(C#N)NC(C)C 45326634 168154413 /nfs/dbraw/zinc/15/44/13/168154413.db2.gz WMUASKIUZXAFIQ-NSHDSACASA-N 0 0 198.310 2.083 10 30 AEEERN COCCCC[C@](C)(C#N)NC(C)C 45326636 168155490 /nfs/dbraw/zinc/15/54/90/168155490.db2.gz WMUASKIUZXAFIQ-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN COCCCNc1cccc(C#N)c1 37753707 168155915 /nfs/dbraw/zinc/15/59/15/168155915.db2.gz DLXMETZGVIRERB-UHFFFAOYSA-N 0 0 190.246 2.007 10 30 AEEERN C=C(C)C(=O)c1ccc(C)c(N)c1 135403754 343961695 /nfs/dbraw/zinc/96/16/95/343961695.db2.gz CKCCDPRMROAEGS-UHFFFAOYSA-N 0 0 175.231 2.336 10 30 AEEERN C=C(C)C(=O)c1ccc(N)c(C)c1 135405446 343961700 /nfs/dbraw/zinc/96/17/00/343961700.db2.gz MATVUFBPEGESOG-UHFFFAOYSA-N 0 0 175.231 2.336 10 30 AEEERN COCCSCCCCC#N 49579607 168171947 /nfs/dbraw/zinc/17/19/47/168171947.db2.gz APGXWMXAZBOCMV-UHFFFAOYSA-N 0 0 173.281 2.060 10 30 AEEERN CC(C)=CC(=O)[C@@H](N)c1ccccc1 135404006 343961718 /nfs/dbraw/zinc/96/17/18/343961718.db2.gz KBLCGGXVGMCGPD-LBPRGKRZSA-N 0 0 189.258 2.222 10 30 AEEERN COC[C@@H](C)Nc1ccccc1C#N 20076393 168183293 /nfs/dbraw/zinc/18/32/93/168183293.db2.gz GVFGZORLTAJZKP-SECBINFHSA-N 0 0 190.246 2.005 10 30 AEEERN COC[C@@](C)(C#N)c1ccccc1 62718751 168185730 /nfs/dbraw/zinc/18/57/30/168185730.db2.gz OSPONALIIKLTJJ-LLVKDONJSA-N 0 0 175.231 2.114 10 30 AEEERN COC[C@@](C)(C#N)Nc1ccccc1 53198703 168186024 /nfs/dbraw/zinc/18/60/24/168186024.db2.gz HLDNHRWJSBPNEQ-LLVKDONJSA-N 0 0 190.246 2.027 10 30 AEEERN C=CCn1cc2c(c1)[C@H](O)CCCC2 135413121 343962156 /nfs/dbraw/zinc/96/21/56/343962156.db2.gz QMOWWRBGTYBJIZ-GFCCVEGCSA-N 0 0 191.274 2.434 10 30 AEEERN COC[C@H](C)Nc1ccccc1C#N 20076395 168189843 /nfs/dbraw/zinc/18/98/43/168189843.db2.gz GVFGZORLTAJZKP-VIFPVBQESA-N 0 0 190.246 2.005 10 30 AEEERN COCc1cc(CC#N)ccc1F 44369759 168192974 /nfs/dbraw/zinc/19/29/74/168192974.db2.gz YLYDEMLGMIXGKT-UHFFFAOYSA-N 0 0 179.194 2.038 10 30 AEEERN COCc1cc(C)c(C#N)c(=S)[nH]1 50917 168193151 /nfs/dbraw/zinc/19/31/51/168193151.db2.gz RRFISKOHQJEGCS-UHFFFAOYSA-N 0 0 194.259 2.071 10 30 AEEERN COC[C@](C)(C#N)c1ccccc1 62718748 168193512 /nfs/dbraw/zinc/19/35/12/168193512.db2.gz OSPONALIIKLTJJ-NSHDSACASA-N 0 0 175.231 2.114 10 30 AEEERN COC[C@](C)(C#N)Nc1ccccc1 53198702 168193519 /nfs/dbraw/zinc/19/35/19/168193519.db2.gz HLDNHRWJSBPNEQ-NSHDSACASA-N 0 0 190.246 2.027 10 30 AEEERN COCc1c[nH]c2cccc(C#N)c12 62719521 168193830 /nfs/dbraw/zinc/19/38/30/168193830.db2.gz IQMJQKRZEJREED-UHFFFAOYSA-N 0 0 186.214 2.186 10 30 AEEERN COCc1ccc(F)c(CC#N)c1 44369755 168194166 /nfs/dbraw/zinc/19/41/66/168194166.db2.gz WLDKHHYNUDXERT-UHFFFAOYSA-N 0 0 179.194 2.038 10 30 AEEERN COCc1cc(F)ccc1CC#N 44369750 168195082 /nfs/dbraw/zinc/19/50/82/168195082.db2.gz LZIGFGIGGJVWGU-UHFFFAOYSA-N 0 0 179.194 2.038 10 30 AEEERN COCc1cccc(N[C@H](C)C#N)c1 43515494 168195111 /nfs/dbraw/zinc/19/51/11/168195111.db2.gz PHZVICWLVNGBKU-SECBINFHSA-N 0 0 190.246 2.157 10 30 AEEERN COCc1cccc(N[C@@H](C)C#N)c1 43515493 168195460 /nfs/dbraw/zinc/19/54/60/168195460.db2.gz PHZVICWLVNGBKU-VIFPVBQESA-N 0 0 190.246 2.157 10 30 AEEERN CON=Cc1nc2ccccc2s1 254746205 168200546 /nfs/dbraw/zinc/20/05/46/168200546.db2.gz OIADNSGJQYJJFQ-UHFFFAOYSA-N 0 0 192.243 2.277 10 30 AEEERN CO[C@@H](C)[C@@H]1CC=C(/C=N/O)CC1 28244933 168203660 /nfs/dbraw/zinc/20/36/60/168203660.db2.gz CCHYZUZNMXGESK-AOGJEOPKSA-N 0 0 183.251 2.208 10 30 AEEERN CO[C@@H](C)[C@H]1CCC=C(/C=N/O)C1 28244015 168204302 /nfs/dbraw/zinc/20/43/02/168204302.db2.gz OTCRCPWDJSXHFX-NXOHHNNKSA-N 0 0 183.251 2.208 10 30 in-vitro AEEERN CO[C@@H](C)[C@H]1CC=C(/C=N/O)CC1 28244921 168204701 /nfs/dbraw/zinc/20/47/01/168204701.db2.gz CCHYZUZNMXGESK-NXOHHNNKSA-N 0 0 183.251 2.208 10 30 AEEERN CO[C@@H](C)[C@@H]1CCC=C(/C=N/O)C1 28243999 168204895 /nfs/dbraw/zinc/20/48/95/168204895.db2.gz OTCRCPWDJSXHFX-AOGJEOPKSA-N 0 0 183.251 2.208 10 30 in-vitro AEEERN CO[C@@H]1CCC[C@@H](CCC#N)C1 39089612 168205352 /nfs/dbraw/zinc/20/53/52/168205352.db2.gz KJFLSZDQNIKQAH-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@H]1CCCC[C@H]1CCC#N 39089629 168205625 /nfs/dbraw/zinc/20/56/25/168205625.db2.gz ZXJSCMAUPIBRON-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@H]1CCC2=C(C)C(=O)CC[C@H]2C1 62720205 168205659 /nfs/dbraw/zinc/20/56/59/168205659.db2.gz HVEKQWWRGJYKRM-VHSXEESVSA-N 0 0 194.274 2.481 10 30 AEEERN CO[C@@H]1CCC2=C(C)C(=O)CC[C@@H]2C1 62720215 168205757 /nfs/dbraw/zinc/20/57/57/168205757.db2.gz HVEKQWWRGJYKRM-NXEZZACHSA-N 0 0 194.274 2.481 10 30 AEEERN CO[C@@H]1CCC[C@H](CCC#N)C1 39089610 168205878 /nfs/dbraw/zinc/20/58/78/168205878.db2.gz KJFLSZDQNIKQAH-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@H]1CCC[C@H](CC#N)C1 75540356 168205985 /nfs/dbraw/zinc/20/59/85/168205985.db2.gz LYNSNCIYMFQQQW-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@H]1CCCC[C@@H]1CCC#N 39089627 168206171 /nfs/dbraw/zinc/20/61/71/168206171.db2.gz ZXJSCMAUPIBRON-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@H]1CCC[C@@H](CC#N)C1 75540364 168206331 /nfs/dbraw/zinc/20/63/31/168206331.db2.gz LYNSNCIYMFQQQW-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@H]1CCC[C@@H]1CCC#N 75540212 168206561 /nfs/dbraw/zinc/20/65/61/168206561.db2.gz HJQUUBNYAHEDCB-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@H]1CCc2cc(C#N)ccc21 39089791 168208235 /nfs/dbraw/zinc/20/82/35/168208235.db2.gz FJLWGJMKAAFNCT-LLVKDONJSA-N 0 0 173.215 2.192 10 30 AEEERN CO[C@@H]1CCC[C@H]1CCC#N 75540216 168208996 /nfs/dbraw/zinc/20/89/96/168208996.db2.gz HJQUUBNYAHEDCB-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@]1(C#N)CCC[C@@H](C)C1 39089204 168211485 /nfs/dbraw/zinc/21/14/85/168211485.db2.gz MSADHHWUMBFYSI-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@]1(c2ccccc2)C[C@H]1C#N 39089815 168211608 /nfs/dbraw/zinc/21/16/08/168211608.db2.gz QUPSQUPQVHXMHQ-WDEREUQCSA-N 0 0 173.215 2.072 10 30 AEEERN CO[C@@]1(C#N)CCC[C@H](C)C1 39089205 168211807 /nfs/dbraw/zinc/21/18/07/168211807.db2.gz MSADHHWUMBFYSI-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@]1(c2ccccc2)C[C@@H]1C#N 39089813 168212481 /nfs/dbraw/zinc/21/24/81/168212481.db2.gz QUPSQUPQVHXMHQ-GHMZBOCLSA-N 0 0 173.215 2.072 10 30 AEEERN CO[C@@]1(c2ccccc2)OC1(C)C 38583422 168212629 /nfs/dbraw/zinc/21/26/29/168212629.db2.gz VRWKKNHCINTJMN-NSHDSACASA-N 0 0 178.231 2.295 10 30 AEEERN CO[C@H](C)[C@H]1CC=C(/C=N/O)CC1 28244926 168213080 /nfs/dbraw/zinc/21/30/80/168213080.db2.gz CCHYZUZNMXGESK-AWNGFOBJSA-N 0 0 183.251 2.208 10 30 AEEERN CO[C@H](C)[C@H]1CCC=C(/C=N/O)C1 28244021 168213124 /nfs/dbraw/zinc/21/31/24/168213124.db2.gz OTCRCPWDJSXHFX-AWNGFOBJSA-N 0 0 183.251 2.208 10 30 in-vitro AEEERN CO[C@H](C)[C@@H]1CCC=C(/C=N/O)C1 28244007 168213775 /nfs/dbraw/zinc/21/37/75/168213775.db2.gz OTCRCPWDJSXHFX-RZDVKGBDSA-N 0 0 183.251 2.208 10 30 in-vitro AEEERN CO[C@H](C)[C@@H]1CC=C(/C=N/O)CC1 28244939 168213987 /nfs/dbraw/zinc/21/39/87/168213987.db2.gz CCHYZUZNMXGESK-RZDVKGBDSA-N 0 0 183.251 2.208 10 30 AEEERN CO[C@H]1CCCC[C@H]1CCC#N 39089630 168214708 /nfs/dbraw/zinc/21/47/08/168214708.db2.gz ZXJSCMAUPIBRON-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H]1CCC2=C(C)C(=O)CC[C@H]2C1 62720203 168214721 /nfs/dbraw/zinc/21/47/21/168214721.db2.gz HVEKQWWRGJYKRM-UWVGGRQHSA-N 0 0 194.274 2.481 10 30 AEEERN CO[C@H]1CCC2=C(C)C(=O)CC[C@@H]2C1 62720212 168215230 /nfs/dbraw/zinc/21/52/30/168215230.db2.gz HVEKQWWRGJYKRM-ZJUUUORDSA-N 0 0 194.274 2.481 10 30 AEEERN CO[C@H]1CCCC[C@@H]1CCC#N 39089628 168215901 /nfs/dbraw/zinc/21/59/01/168215901.db2.gz ZXJSCMAUPIBRON-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H]1CCC[C@H](CC#N)C1 75540361 168216223 /nfs/dbraw/zinc/21/62/23/168216223.db2.gz LYNSNCIYMFQQQW-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@H]1CCC[C@H]1CCC#N 75540217 168216392 /nfs/dbraw/zinc/21/63/92/168216392.db2.gz HJQUUBNYAHEDCB-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@H]1CCC[C@H](CCC#N)C1 39089611 168216736 /nfs/dbraw/zinc/21/67/36/168216736.db2.gz KJFLSZDQNIKQAH-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H]1CCC[C@@H](CCC#N)C1 39089613 168217247 /nfs/dbraw/zinc/21/72/47/168217247.db2.gz KJFLSZDQNIKQAH-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H]1CCC[C@@H](CC#N)C1 75540369 168217626 /nfs/dbraw/zinc/21/76/26/168217626.db2.gz LYNSNCIYMFQQQW-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@H]1CCC[C@@H]1CCC#N 75540214 168217772 /nfs/dbraw/zinc/21/77/72/168217772.db2.gz HJQUUBNYAHEDCB-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@H]1CCc2cc(C#N)ccc21 39089792 168218960 /nfs/dbraw/zinc/21/89/60/168218960.db2.gz FJLWGJMKAAFNCT-NSHDSACASA-N 0 0 173.215 2.192 10 30 AEEERN CO[C@]1(C#N)CCC[C@H](C)C1 39089203 168221437 /nfs/dbraw/zinc/22/14/37/168221437.db2.gz MSADHHWUMBFYSI-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@]1(c2ccccc2)C[C@@H]1C#N 39089812 168221915 /nfs/dbraw/zinc/22/19/15/168221915.db2.gz QUPSQUPQVHXMHQ-MNOVXSKESA-N 0 0 173.215 2.072 10 30 AEEERN CO[C@]1(c2ccccc2)OC1(C)C 38583423 168222352 /nfs/dbraw/zinc/22/23/52/168222352.db2.gz VRWKKNHCINTJMN-LLVKDONJSA-N 0 0 178.231 2.295 10 30 AEEERN CO[C@]1(C#N)CCC[C@@H](C)C1 39089202 168222442 /nfs/dbraw/zinc/22/24/42/168222442.db2.gz MSADHHWUMBFYSI-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@]1(c2ccccc2)C[C@H]1C#N 39089814 168222465 /nfs/dbraw/zinc/22/24/65/168222465.db2.gz QUPSQUPQVHXMHQ-QWRGUYRKSA-N 0 0 173.215 2.072 10 30 AEEERN COc1c(C)nc2ccccc2c1C#N 201275460 168222831 /nfs/dbraw/zinc/22/28/31/168222831.db2.gz VUFQZDRZUGCUGW-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN COc1c(C)cc(C)cc1[C@@H]1CO1 71497458 168222908 /nfs/dbraw/zinc/22/29/08/168222908.db2.gz JSNMYKFGNGHSIC-JTQLQIEISA-N 0 0 178.231 2.383 10 30 AEEERN COc1c(C)cc(C)cc1CC#N 82529345 168223047 /nfs/dbraw/zinc/22/30/47/168223047.db2.gz VVEVYCWDZRTPQP-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN COc1c(C)cc(C#N)c(C)c1C 36200913 168223205 /nfs/dbraw/zinc/22/32/05/168223205.db2.gz ZDYHMMVLYSVRKW-UHFFFAOYSA-N 0 0 175.231 2.492 10 30 AEEERN COc1c(C#N)cccc1OC1CC1 95728636 168223312 /nfs/dbraw/zinc/22/33/12/168223312.db2.gz WZHAMYAPRTWOLD-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1c(C)cc(C)c(CC=O)c1C 82319219 168223428 /nfs/dbraw/zinc/22/34/28/168223428.db2.gz XAQHQZMVRDFQAB-UHFFFAOYSA-N 0 0 192.258 2.362 10 30 AEEERN COc1c(C)c(C)cc(C#N)c1C 21996677 168223585 /nfs/dbraw/zinc/22/35/85/168223585.db2.gz XVTRJTCWISNTMW-UHFFFAOYSA-N 0 0 175.231 2.492 10 30 AEEERN COc1c(C)cc(C)cc1[C@H]1CO1 71497459 168223725 /nfs/dbraw/zinc/22/37/25/168223725.db2.gz JSNMYKFGNGHSIC-SNVBAGLBSA-N 0 0 178.231 2.383 10 30 AEEERN COc1c(C#N)cnc2c(C)cccc12 72236937 168223821 /nfs/dbraw/zinc/22/38/21/168223821.db2.gz LLZKYDQYRROBFM-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN COc1c(C)cnc(CCC#N)c1C 48772616 168224124 /nfs/dbraw/zinc/22/41/24/168224124.db2.gz NOGQJQCQVGRTDK-UHFFFAOYSA-N 0 0 190.246 2.163 10 30 AEEERN COc1cc(C#N)ccc1OC1CC1 95730992 168226641 /nfs/dbraw/zinc/22/66/41/168226641.db2.gz LZBUYVVFAVGJOY-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1cc(C#N)c2cc[nH]c2c1 42689707 168227286 /nfs/dbraw/zinc/22/72/86/168227286.db2.gz UQWDARDGPGIXCJ-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 in-vitro AEEERN COc1cc(C)c(C)cc1CC#N 82529343 168228858 /nfs/dbraw/zinc/22/88/58/168228858.db2.gz FBBQVBDVUZLDOI-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN COc1cc(C)c(C)cc1[C@@H]1CO1 41200330 168229054 /nfs/dbraw/zinc/22/90/54/168229054.db2.gz FNXRIGMRNDEXSY-NSHDSACASA-N 0 0 178.231 2.383 10 30 AEEERN COc1cc(C)c(CC=O)c(C)c1 75568591 168229493 /nfs/dbraw/zinc/22/94/93/168229493.db2.gz RPWHCVJROMQVKQ-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN COc1cc(C)c(C)cc1[C@H]1CO1 41200333 168229600 /nfs/dbraw/zinc/22/96/00/168229600.db2.gz FNXRIGMRNDEXSY-LLVKDONJSA-N 0 0 178.231 2.383 10 30 AEEERN COc1cc(C)cc2c(C#N)c[nH]c12 82588117 168229803 /nfs/dbraw/zinc/22/98/03/168229803.db2.gz MMOCLULNEZMQCY-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN COc1cc(C)c([C@@H]2CO2)cc1OC 82530775 168230029 /nfs/dbraw/zinc/23/00/29/168230029.db2.gz OLDQPHFFKJUENQ-NSHDSACASA-N 0 0 194.230 2.084 10 30 AEEERN COc1cc(C)c([C@H]2CO2)cc1C 41200339 168230110 /nfs/dbraw/zinc/23/01/10/168230110.db2.gz ADODWRHTBSPHEG-LLVKDONJSA-N 0 0 178.231 2.383 10 30 AEEERN COc1cc(C)c(CS)c(OC)c1 77296379 168230181 /nfs/dbraw/zinc/23/01/81/168230181.db2.gz XFYNVMAARSIGRK-UHFFFAOYSA-N 0 0 198.287 2.442 10 30 AEEERN COc1cc(C)c(CS)cc1OC 77296378 168230218 /nfs/dbraw/zinc/23/02/18/168230218.db2.gz IZGGCZHUOKMRGM-UHFFFAOYSA-N 0 0 198.287 2.442 10 30 AEEERN COc1cc(C)c([C@@H]2CO2)cc1C 41200336 168230330 /nfs/dbraw/zinc/23/03/30/168230330.db2.gz ADODWRHTBSPHEG-NSHDSACASA-N 0 0 178.231 2.383 10 30 AEEERN COc1cc(C)cc(C)c1CC#N 98121968 168230560 /nfs/dbraw/zinc/23/05/60/168230560.db2.gz IVDHUBHPOYKXOS-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN COc1cc(C)c([C@H]2CO2)cc1OC 82530776 168230891 /nfs/dbraw/zinc/23/08/91/168230891.db2.gz OLDQPHFFKJUENQ-LLVKDONJSA-N 0 0 194.230 2.084 10 30 AEEERN COc1cc(C)cc(C)c1[C@@H]1CO1 98121983 168231178 /nfs/dbraw/zinc/23/11/78/168231178.db2.gz FOUMKHYZMALCOW-JTQLQIEISA-N 0 0 178.231 2.383 10 30 AEEERN COc1cc(C)cc(C)c1[C@H]1CO1 98121985 168231329 /nfs/dbraw/zinc/23/13/29/168231329.db2.gz FOUMKHYZMALCOW-SNVBAGLBSA-N 0 0 178.231 2.383 10 30 AEEERN COc1cc(C)c2[nH]cc(C#N)c2c1 82588118 168231453 /nfs/dbraw/zinc/23/14/53/168231453.db2.gz PVYHIYUMYKRTOT-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN COc1cc(CC#N)cc(F)c1F 44369353 168232468 /nfs/dbraw/zinc/23/24/68/168232468.db2.gz IWQBESCLYUKGQL-UHFFFAOYSA-N 0 0 183.157 2.039 10 30 AEEERN COc1cc(CC#N)cc(C)c1OC 75580150 168232518 /nfs/dbraw/zinc/23/25/18/168232518.db2.gz SGZITESLTPEHJU-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN COc1cc(C)ccc1OCCC#N 19438882 168232586 /nfs/dbraw/zinc/23/25/86/168232586.db2.gz VHLCZFNGRMLKJP-UHFFFAOYSA-N 0 0 191.230 2.296 10 30 AEEERN COc1cc(CC#N)cc(Cl)c1O 83593141 168232743 /nfs/dbraw/zinc/23/27/43/168232743.db2.gz HPARQSDMXJEYCW-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN COc1cc(CC#N)c(OC)cc1C 75580160 168232799 /nfs/dbraw/zinc/23/27/99/168232799.db2.gz ZPNBTCWITNSLNK-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN COc1cc(CC#N)cc(OC)c1C 37627899 168232943 /nfs/dbraw/zinc/23/29/43/168232943.db2.gz JRSMHFCFNASSIG-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN COc1cc(CS)c(OC)cc1C 77296376 168233547 /nfs/dbraw/zinc/23/35/47/168233547.db2.gz HUJYVIJJDYGZEJ-UHFFFAOYSA-N 0 0 198.287 2.442 10 30 AEEERN COc1cc(Cl)c(CC#N)cc1O 196263302 168234097 /nfs/dbraw/zinc/23/40/97/168234097.db2.gz VPBLQYVWQDBKGJ-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN COc1cc(F)c(C)cc1C#N 39088238 168235228 /nfs/dbraw/zinc/23/52/28/168235228.db2.gz AGPGMMDCEXORHU-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN COc1cc(F)c(CC#N)cc1F 33710049 168235639 /nfs/dbraw/zinc/23/56/39/168235639.db2.gz BMQGOMFBPPGOCH-UHFFFAOYSA-N 0 0 183.157 2.039 10 30 AEEERN COc1cc(F)c(CS)cc1F 77275081 168236205 /nfs/dbraw/zinc/23/62/05/168236205.db2.gz NVLSHZMCRMAFTN-UHFFFAOYSA-N 0 0 190.214 2.403 10 30 AEEERN COc1cc([C@@H]2CO2)c(OC)cc1C 71506707 168238454 /nfs/dbraw/zinc/23/84/54/168238454.db2.gz SPKYHELSZXZDLJ-NSHDSACASA-N 0 0 194.230 2.084 10 30 AEEERN COc1cc(OC2CC2)ccc1C#N 95730930 168238540 /nfs/dbraw/zinc/23/85/40/168238540.db2.gz ICPQKPNYZXAWQY-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1cc(OC)cc([C@H](C)C#N)c1 34156293 168238830 /nfs/dbraw/zinc/23/88/30/168238830.db2.gz OMTCBULMCFFOEF-MRVPVSSYSA-N 0 0 191.230 2.331 10 30 AEEERN COc1cc([C@H]2CO2)c(OC)cc1C 71506708 168239205 /nfs/dbraw/zinc/23/92/05/168239205.db2.gz SPKYHELSZXZDLJ-LLVKDONJSA-N 0 0 194.230 2.084 10 30 AEEERN COc1cc(OC)c(C#N)cc1Cl 36181599 168239405 /nfs/dbraw/zinc/23/94/05/168239405.db2.gz QFTXZPPWRRMICW-UHFFFAOYSA-N 0 0 197.621 2.229 10 30 AEEERN COc1cc2cccc(C#N)c2cn1 47818638 168240983 /nfs/dbraw/zinc/24/09/83/168240983.db2.gz RZPPJKPGGXBJKJ-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ccc(/C(=N/O)C2CC2)cc1 95076253 168242161 /nfs/dbraw/zinc/24/21/61/168242161.db2.gz GNFWXKNYCBMGJV-VAWYXSNFSA-N 0 0 191.230 2.284 10 30 AEEERN COc1ccc(/C=C/C(C)=O)cc1O 26838937 168242798 /nfs/dbraw/zinc/24/27/98/168242798.db2.gz BWJQTZKTOVCXOW-ONEGZZNKSA-N 0 0 192.214 2.003 10 30 AEEERN COc1ccc(/C=C/C(C)=O)c(O)c1 28524084 168242812 /nfs/dbraw/zinc/24/28/12/168242812.db2.gz WBNXNIPUDZZFBV-ONEGZZNKSA-N 0 0 192.214 2.003 10 30 AEEERN COc1ccc(/C(C)=N\O)c(F)c1 100242245 168243235 /nfs/dbraw/zinc/24/32/35/168243235.db2.gz TWHORGIIYGGACD-WDZFZDKYSA-N 0 0 183.182 2.033 10 30 AEEERN COc1ccc(/C=C/C(C)=O)cc1F 35066297 168243572 /nfs/dbraw/zinc/24/35/72/168243572.db2.gz YHQFCAFNNHGABZ-ONEGZZNKSA-N 0 0 194.205 2.437 10 30 AEEERN COc1ccc(C(=O)CS)cc1C 57490006 168243770 /nfs/dbraw/zinc/24/37/70/168243770.db2.gz RIYZUJRHWJROKK-UHFFFAOYSA-N 0 0 196.271 2.116 10 30 AEEERN COc1ccc(C#N)c2cccnc12 36198680 168243794 /nfs/dbraw/zinc/24/37/94/168243794.db2.gz FAZYXAGVSKSBQK-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ccc(/C=C\C(C)=O)cc1O 169619618 168243974 /nfs/dbraw/zinc/24/39/74/168243974.db2.gz BWJQTZKTOVCXOW-ARJAWSKDSA-N 0 0 192.214 2.003 10 30 AEEERN COc1ccc(/C=N\O)cc1Cl 4089550 168244155 /nfs/dbraw/zinc/24/41/55/168244155.db2.gz HVLSMUKUKRFWAQ-YHYXMXQVSA-N 0 0 185.610 2.157 10 30 AEEERN COc1ccc(C(=O)C=C(C)O)cc1 101002681 168244314 /nfs/dbraw/zinc/24/43/14/168244314.db2.gz WPPOACOMFIHANV-FPLPWBNLSA-N 0 0 192.214 2.340 10 30 AEEERN COc1ccc(C#N)c2ccncc12 82768426 168244511 /nfs/dbraw/zinc/24/45/11/168244511.db2.gz XSPZZYMARHPKGU-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ccc(C#N)cc1OC(C)C 62153261 168244820 /nfs/dbraw/zinc/24/48/20/168244820.db2.gz GMSVQQVKPFIQDA-UHFFFAOYSA-N 0 0 191.230 2.354 10 30 AEEERN COc1ccc(C#N)c(OC2CC2)c1 95728492 168244852 /nfs/dbraw/zinc/24/48/52/168244852.db2.gz FWFDTUNCOIHLJP-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1ccc(C#N)c2cnccc12 82768420 168244983 /nfs/dbraw/zinc/24/49/83/168244983.db2.gz ZTNUKZYUXVKGOH-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ccc(C#N)cc1OC(F)F 34961450 168244989 /nfs/dbraw/zinc/24/49/89/168244989.db2.gz WWUOUSSQHPOARN-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN COc1ccc(C#N)cc1OC1CC1 34484634 168245022 /nfs/dbraw/zinc/24/50/22/168245022.db2.gz NECOSSHODLUMIE-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1ccc(C)cc1/C(C)=N/O 35113012 168245644 /nfs/dbraw/zinc/24/56/44/168245644.db2.gz UAUXZLBYGWFHAR-DHZHZOJOSA-N 0 0 179.219 2.202 10 30 AEEERN COc1ccc(C(C)(C)C=O)cc1C 41205892 168245711 /nfs/dbraw/zinc/24/57/11/168245711.db2.gz VOWCFQQQWAKHDV-UHFFFAOYSA-N 0 0 192.258 2.480 10 30 AEEERN COc1ccc(C)c2c(C#N)c[nH]c12 82588120 168245815 /nfs/dbraw/zinc/24/58/15/168245815.db2.gz RESXNAGXYXQZFG-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN COc1ccc(C)c(CC#N)c1 75544961 168245982 /nfs/dbraw/zinc/24/59/82/168245982.db2.gz XQUJYYULCTVFAI-UHFFFAOYSA-N 0 0 161.204 2.070 10 30 AEEERN COc1ccc(C(C)(C)C=O)cc1F 41207266 168246039 /nfs/dbraw/zinc/24/60/39/168246039.db2.gz FLTMEDGFOQQHLO-UHFFFAOYSA-N 0 0 196.221 2.311 10 30 AEEERN COc1ccc(C(F)(F)C#N)cc1 39148046 168246652 /nfs/dbraw/zinc/24/66/52/168246652.db2.gz NNGFALOBGFSMBD-UHFFFAOYSA-N 0 0 183.157 2.311 10 30 AEEERN COc1ccc(C2=CC(=O)CC2)cc1 32008015 168246857 /nfs/dbraw/zinc/24/68/57/168246857.db2.gz XNXZLNLINBNGLH-UHFFFAOYSA-N 0 0 188.226 2.442 10 30 AEEERN COc1ccc(C2(C=O)CC2)cc1C 58521213 168246864 /nfs/dbraw/zinc/24/68/64/168246864.db2.gz LORXZNVMCWQVQA-UHFFFAOYSA-N 0 0 190.242 2.234 10 30 AEEERN COc1ccc(C)cc1C1(C=O)CC1 58521215 168247109 /nfs/dbraw/zinc/24/71/09/168247109.db2.gz MCFOLINXFRSXNA-UHFFFAOYSA-N 0 0 190.242 2.234 10 30 AEEERN COc1ccc(C)cc1C(=O)CS 57490009 168247122 /nfs/dbraw/zinc/24/71/22/168247122.db2.gz QLIHGKAOKAMCFA-UHFFFAOYSA-N 0 0 196.271 2.116 10 30 AEEERN COc1ccc(C2(C#N)CC2)c(F)c1 75934300 168247418 /nfs/dbraw/zinc/24/74/18/168247418.db2.gz XHLUUEQERIWINR-UHFFFAOYSA-N 0 0 191.205 2.389 10 30 AEEERN COc1ccc(C)cc1[C@@H](C)C=O 32007115 168247467 /nfs/dbraw/zinc/24/74/67/168247467.db2.gz HJXAMADMHLTOIM-VIFPVBQESA-N 0 0 178.231 2.306 10 30 AEEERN COc1ccc(C2(C=O)CC2)cc1F 57489211 168247648 /nfs/dbraw/zinc/24/76/48/168247648.db2.gz YIWVBEQWLSVRIH-UHFFFAOYSA-N 0 0 194.205 2.065 10 30 AEEERN COc1ccc(C/C(C)=N/O)cc1 5620773 168247688 /nfs/dbraw/zinc/24/76/88/168247688.db2.gz XCAWVHHYSAGLPZ-DHZHZOJOSA-N 0 0 179.219 2.088 10 30 AEEERN COc1ccc(C)cc1[C@]1(C)CO1 19729143 168247776 /nfs/dbraw/zinc/24/77/76/168247776.db2.gz GSQACMJJYOTSEG-NSHDSACASA-N 0 0 178.231 2.249 10 30 AEEERN COc1ccc(C)cc1[C@@]1(C)CO1 19729142 168248019 /nfs/dbraw/zinc/24/80/19/168248019.db2.gz GSQACMJJYOTSEG-LLVKDONJSA-N 0 0 178.231 2.249 10 30 AEEERN COc1ccc(C)cc1[C@H](C)C=O 32007117 168248029 /nfs/dbraw/zinc/24/80/29/168248029.db2.gz HJXAMADMHLTOIM-SECBINFHSA-N 0 0 178.231 2.306 10 30 AEEERN COc1ccc(CC#N)c2[nH]ccc12 44370932 168248544 /nfs/dbraw/zinc/24/85/44/168248544.db2.gz XLOYJXZLBMRLKW-UHFFFAOYSA-N 0 0 186.214 2.243 10 30 AEEERN COc1ccc(CC#N)c2cc[nH]c12 89204592 168248702 /nfs/dbraw/zinc/24/87/02/168248702.db2.gz SOTGMCZBNWPSEV-UHFFFAOYSA-N 0 0 186.214 2.243 10 30 AEEERN COc1ccc(CCCC=O)cc1F 70738926 168248776 /nfs/dbraw/zinc/24/87/76/168248776.db2.gz JPDYOXPEXFWUSA-UHFFFAOYSA-N 0 0 196.221 2.356 10 30 AEEERN COc1ccc(CC[C@H]2CO2)cc1 6018236 168249148 /nfs/dbraw/zinc/24/91/48/168249148.db2.gz ULFOYJSPSHRDMV-NSHDSACASA-N 0 0 178.231 2.027 10 30 AEEERN COc1ccc(CCC#N)c(C)c1 75565545 168249244 /nfs/dbraw/zinc/24/92/44/168249244.db2.gz MWYMXFHHZQUZTN-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN COc1ccc(CC[C@@H]2CO2)cc1 6018235 168250009 /nfs/dbraw/zinc/25/00/09/168250009.db2.gz ULFOYJSPSHRDMV-LLVKDONJSA-N 0 0 178.231 2.027 10 30 AEEERN COc1ccc(CCC#N)cc1C 75565547 168250073 /nfs/dbraw/zinc/25/00/73/168250073.db2.gz HPNHUTMQSFKZII-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN COc1ccc(C[C@H](C)C#N)cc1 34728802 168251188 /nfs/dbraw/zinc/25/11/88/168251188.db2.gz ZUGCJBJEBHNSAQ-VIFPVBQESA-N 0 0 175.231 2.397 10 30 AEEERN COc1ccc(CS)c(OC)c1C 77296377 168251621 /nfs/dbraw/zinc/25/16/21/168251621.db2.gz XKYGDURCCIMQDG-UHFFFAOYSA-N 0 0 198.287 2.442 10 30 AEEERN COc1ccc(C[C@@H](C)C#N)cc1 34728805 168251657 /nfs/dbraw/zinc/25/16/57/168251657.db2.gz ZUGCJBJEBHNSAQ-SECBINFHSA-N 0 0 175.231 2.397 10 30 AEEERN COc1ccc(Cl)cc1NCC#N 20048769 168252062 /nfs/dbraw/zinc/25/20/62/168252062.db2.gz QUGYGUHXXKXQRO-UHFFFAOYSA-N 0 0 196.637 2.284 10 30 AEEERN COc1ccc(Cl)cc1CC=O 1704595 168252246 /nfs/dbraw/zinc/25/22/46/168252246.db2.gz YRWUTTNUCHVJEY-UHFFFAOYSA-N 0 0 184.622 2.090 10 30 AEEERN COc1ccc(Cl)c(NCC#N)c1 43317790 168252318 /nfs/dbraw/zinc/25/23/18/168252318.db2.gz DGQBYHZOIGXCRW-UHFFFAOYSA-N 0 0 196.637 2.284 10 30 AEEERN COc1ccc(F)cc1C1(C=O)CC1 57489213 168252508 /nfs/dbraw/zinc/25/25/08/168252508.db2.gz CNGSUEMWUBMYAQ-UHFFFAOYSA-N 0 0 194.205 2.065 10 30 AEEERN COc1ccc(F)cc1C(C)(C)C=O 41207267 168252539 /nfs/dbraw/zinc/25/25/39/168252539.db2.gz OIIPWGSFKMDEKV-UHFFFAOYSA-N 0 0 196.221 2.311 10 30 AEEERN COc1ccc(Cl)c(CC#N)c1 44370029 168252566 /nfs/dbraw/zinc/25/25/66/168252566.db2.gz KBQRQQFFSGMVHL-UHFFFAOYSA-N 0 0 181.622 2.415 10 30 AEEERN COc1ccc(F)cc1CCC#N 82529538 168253151 /nfs/dbraw/zinc/25/31/51/168253151.db2.gz RBMNOUDKUPPHLD-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN COc1ccc(N(C)CCC#N)cc1 49801869 168253719 /nfs/dbraw/zinc/25/37/19/168253719.db2.gz BTUXXXQLUKKYLI-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN COc1ccc(F)cc1[C@H](C)C#N 41200684 168253782 /nfs/dbraw/zinc/25/37/82/168253782.db2.gz HYLUYHYBWFABNQ-SSDOTTSWSA-N 0 0 179.194 2.461 10 30 AEEERN COc1ccc(F)cc1[C@@H](C)C=O 36156413 168254259 /nfs/dbraw/zinc/25/42/59/168254259.db2.gz CXMHWHSYFPJXRO-ZETCQYMHSA-N 0 0 182.194 2.137 10 30 AEEERN COc1ccc(F)cc1[C@@H](C)C#N 41200681 168254315 /nfs/dbraw/zinc/25/43/15/168254315.db2.gz HYLUYHYBWFABNQ-ZETCQYMHSA-N 0 0 179.194 2.461 10 30 AEEERN COc1ccc(F)cc1[C@]1(C)CO1 36156419 168254523 /nfs/dbraw/zinc/25/45/23/168254523.db2.gz IQSKNIXJLZPRER-JTQLQIEISA-N 0 0 182.194 2.080 10 30 AEEERN COc1ccc(F)cc1[C@H](C)C=O 36156415 168254779 /nfs/dbraw/zinc/25/47/79/168254779.db2.gz CXMHWHSYFPJXRO-SSDOTTSWSA-N 0 0 182.194 2.137 10 30 AEEERN COc1ccc(F)cc1[C@@]1(C)CO1 36156417 168254840 /nfs/dbraw/zinc/25/48/40/168254840.db2.gz IQSKNIXJLZPRER-SNVBAGLBSA-N 0 0 182.194 2.080 10 30 AEEERN COc1ccc(NCC#N)cc1Cl 20041205 168255351 /nfs/dbraw/zinc/25/53/51/168255351.db2.gz UVMNSEIAOXJKGQ-UHFFFAOYSA-N 0 0 196.637 2.284 10 30 AEEERN COc1ccc([C@@H](C)C=O)c(OC)c1 36156923 168255650 /nfs/dbraw/zinc/25/56/50/168255650.db2.gz LSUIDKZHZQRTOT-QMMMGPOBSA-N 0 0 194.230 2.006 10 30 AEEERN C=CCn1cc2c(c1)C(=O)CCC2 135388206 343961015 /nfs/dbraw/zinc/96/10/15/343961015.db2.gz DNAUZMFLDVRTAO-UHFFFAOYSA-N 0 0 175.231 2.193 10 30 AEEERN COc1ccc(OC2CC2)c(C#N)c1 95729090 168255688 /nfs/dbraw/zinc/25/56/88/168255688.db2.gz ZTCKCIJNDHCKEZ-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1ccc(SC[C@@H]2CO2)cc1 19863857 168255733 /nfs/dbraw/zinc/25/57/33/168255733.db2.gz POVXQHJDOVFSOL-VIFPVBQESA-N 0 0 196.271 2.186 10 30 AEEERN COc1ccc(OCC#N)c(Cl)c1 11834416 168255776 /nfs/dbraw/zinc/25/57/76/168255776.db2.gz GDQHNZPZGCMAJI-UHFFFAOYSA-N 0 0 197.621 2.251 10 30 AEEERN COc1ccc([C@@H](C)C#N)cc1OC 19728868 168255796 /nfs/dbraw/zinc/25/57/96/168255796.db2.gz ZEOXJCSGZQSIPT-QMMMGPOBSA-N 0 0 191.230 2.331 10 30 AEEERN COc1ccc([C@@H](C)C#N)cc1F 34725189 168255988 /nfs/dbraw/zinc/25/59/88/168255988.db2.gz QURLESZWZKIJOX-ZETCQYMHSA-N 0 0 179.194 2.461 10 30 AEEERN COc1ccc([C@@H](C)C=O)cc1F 36156404 168256343 /nfs/dbraw/zinc/25/63/43/168256343.db2.gz MDGHZWXHMMRBSS-ZETCQYMHSA-N 0 0 182.194 2.137 10 30 AEEERN COc1ccc(OC2CC2)cc1C#N 95729899 168256378 /nfs/dbraw/zinc/25/63/78/168256378.db2.gz FCBJCGNINZVASY-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1ccc(S[C@@H](C)C=O)cc1 39310945 168256408 /nfs/dbraw/zinc/25/64/08/168256408.db2.gz XONVGGRGAYGKMA-QMMMGPOBSA-N 0 0 196.271 2.375 10 30 AEEERN COc1ccc(OC)c([C@@H](C)C=O)c1 32008894 168256446 /nfs/dbraw/zinc/25/64/46/168256446.db2.gz QFJBSPZGZZMKOD-QMMMGPOBSA-N 0 0 194.230 2.006 10 30 AEEERN COc1ccc([C@@H](C)C#N)cc1 19728860 168256525 /nfs/dbraw/zinc/25/65/25/168256525.db2.gz MUZYAEDDOSKNRG-QMMMGPOBSA-N 0 0 161.204 2.322 10 30 AEEERN COc1ccc(SC[C@H]2CO2)cc1 19863859 168256593 /nfs/dbraw/zinc/25/65/93/168256593.db2.gz POVXQHJDOVFSOL-SECBINFHSA-N 0 0 196.271 2.186 10 30 AEEERN COc1ccc([C@@H](C)C#N)c(OC)c1 37245507 168256690 /nfs/dbraw/zinc/25/66/90/168256690.db2.gz BEFSCPGDBXCHND-QMMMGPOBSA-N 0 0 191.230 2.331 10 30 AEEERN COc1ccc(SCCC=O)cc1 19686145 168256768 /nfs/dbraw/zinc/25/67/68/168256768.db2.gz JXVWZRKVKKOJFZ-UHFFFAOYSA-N 0 0 196.271 2.376 10 30 AEEERN COc1ccc(OC)c([C@@H](C)C#N)c1 19728872 168256774 /nfs/dbraw/zinc/25/67/74/168256774.db2.gz YPQBPBVYIMYQJU-QMMMGPOBSA-N 0 0 191.230 2.331 10 30 AEEERN COc1ccc(OCCCC#N)cc1 19505367 168256918 /nfs/dbraw/zinc/25/69/18/168256918.db2.gz NQEVDJOBOAKZHY-UHFFFAOYSA-N 0 0 191.230 2.378 10 30 AEEERN COc1ccc(OC)c([C@H](C)C=O)c1 32008896 168256937 /nfs/dbraw/zinc/25/69/37/168256937.db2.gz QFJBSPZGZZMKOD-MRVPVSSYSA-N 0 0 194.230 2.006 10 30 AEEERN COc1ccc([C@@H](C)C=O)cc1C 32007112 168256960 /nfs/dbraw/zinc/25/69/60/168256960.db2.gz KMQNCKZOZORTIN-VIFPVBQESA-N 0 0 178.231 2.306 10 30 AEEERN COc1ccc(S[C@H](C)C=O)cc1 39310946 168256994 /nfs/dbraw/zinc/25/69/94/168256994.db2.gz XONVGGRGAYGKMA-MRVPVSSYSA-N 0 0 196.271 2.375 10 30 AEEERN COc1ccc(OC)c([C@H](C)C#N)c1 19728873 168257035 /nfs/dbraw/zinc/25/70/35/168257035.db2.gz YPQBPBVYIMYQJU-MRVPVSSYSA-N 0 0 191.230 2.331 10 30 AEEERN COc1ccc([C@@H]2CO2)cc1C 41167830 168257223 /nfs/dbraw/zinc/25/72/23/168257223.db2.gz SXTKVOYBLQFZGR-JTQLQIEISA-N 0 0 164.204 2.075 10 30 AEEERN COc1ccc([C@@H](O)CCC#N)cc1 41205180 168257270 /nfs/dbraw/zinc/25/72/70/168257270.db2.gz OJXYJBDFDMERFK-NSHDSACASA-N 0 0 191.230 2.032 10 30 AEEERN COc1ccc([C@@]2(C)CO2)cc1C 19729140 168257634 /nfs/dbraw/zinc/25/76/34/168257634.db2.gz IJCKXXYITRDQLD-LLVKDONJSA-N 0 0 178.231 2.249 10 30 AEEERN COc1ccc([C@@H]2CO2)c(OC)c1C 71506709 168257747 /nfs/dbraw/zinc/25/77/47/168257747.db2.gz FMSCOUGDTHTILT-JTQLQIEISA-N 0 0 194.230 2.084 10 30 AEEERN COc1ccc([C@@]2(C)CO2)cc1F 36156409 168257780 /nfs/dbraw/zinc/25/77/80/168257780.db2.gz UMTRJXMMLKNHTA-SNVBAGLBSA-N 0 0 182.194 2.080 10 30 AEEERN COc1ccc([C@@H]2CO2)c(C)c1C 71497461 168258459 /nfs/dbraw/zinc/25/84/59/168258459.db2.gz ACOKMQPJLZZBOK-NSHDSACASA-N 0 0 178.231 2.383 10 30 AEEERN COc1ccc([C@H](C)C#N)cc1F 34725191 168258766 /nfs/dbraw/zinc/25/87/66/168258766.db2.gz QURLESZWZKIJOX-SSDOTTSWSA-N 0 0 179.194 2.461 10 30 AEEERN COc1ccc([C@H]2CO2)c(OC)c1C 71506710 168259059 /nfs/dbraw/zinc/25/90/59/168259059.db2.gz FMSCOUGDTHTILT-SNVBAGLBSA-N 0 0 194.230 2.084 10 30 AEEERN COc1ccc([C@H]2CO2)c(C)c1C 71497462 168259068 /nfs/dbraw/zinc/25/90/68/168259068.db2.gz ACOKMQPJLZZBOK-LLVKDONJSA-N 0 0 178.231 2.383 10 30 AEEERN COc1ccc([C@H](C)C=O)cc1C 32007114 168259290 /nfs/dbraw/zinc/25/92/90/168259290.db2.gz KMQNCKZOZORTIN-SECBINFHSA-N 0 0 178.231 2.306 10 30 AEEERN COc1ccc([C@H](C)C=O)cc1F 36156407 168259294 /nfs/dbraw/zinc/25/92/94/168259294.db2.gz MDGHZWXHMMRBSS-SSDOTTSWSA-N 0 0 182.194 2.137 10 30 AEEERN COc1ccc([C@H](C)C#N)cc1OC 19728869 168259396 /nfs/dbraw/zinc/25/93/96/168259396.db2.gz ZEOXJCSGZQSIPT-MRVPVSSYSA-N 0 0 191.230 2.331 10 30 AEEERN COc1ccc([C@H](C)C#N)cc1 19728861 168259794 /nfs/dbraw/zinc/25/97/94/168259794.db2.gz MUZYAEDDOSKNRG-MRVPVSSYSA-N 0 0 161.204 2.322 10 30 AEEERN C=C(Cl)CNc1ccc(C#N)nc1 135503582 343964601 /nfs/dbraw/zinc/96/46/01/343964601.db2.gz NDWQMROERLFCKS-UHFFFAOYSA-N 0 0 193.637 2.118 10 30 AEEERN Cc1ccncc1C(=O)C[C@@H](C)C#N 135506559 343964602 /nfs/dbraw/zinc/96/46/02/343964602.db2.gz AZVZXFZWGZLLNO-MRVPVSSYSA-N 0 0 188.230 2.123 10 30 AEEERN COc1ccc([C@H](C)C#N)c(OC)c1 37245509 168260087 /nfs/dbraw/zinc/26/00/87/168260087.db2.gz BEFSCPGDBXCHND-MRVPVSSYSA-N 0 0 191.230 2.331 10 30 AEEERN COc1ccc([C@H]2CO2)cc1C 41167832 168260117 /nfs/dbraw/zinc/26/01/17/168260117.db2.gz SXTKVOYBLQFZGR-SNVBAGLBSA-N 0 0 164.204 2.075 10 30 AEEERN COc1ccc([C@H](C)C=O)c(OC)c1 36156926 168260135 /nfs/dbraw/zinc/26/01/35/168260135.db2.gz LSUIDKZHZQRTOT-MRVPVSSYSA-N 0 0 194.230 2.006 10 30 AEEERN COc1ccc([C@]2(C)CO2)cc1C 19729141 168260568 /nfs/dbraw/zinc/26/05/68/168260568.db2.gz IJCKXXYITRDQLD-NSHDSACASA-N 0 0 178.231 2.249 10 30 AEEERN COc1ccc([C@]2(C)CO2)cc1F 36156411 168260871 /nfs/dbraw/zinc/26/08/71/168260871.db2.gz UMTRJXMMLKNHTA-JTQLQIEISA-N 0 0 182.194 2.080 10 30 AEEERN COc1ccc2c(c1)CCC[C@H]2C=O 75579794 168260990 /nfs/dbraw/zinc/26/09/90/168260990.db2.gz UGAAVTXCQWSECT-JTQLQIEISA-N 0 0 190.242 2.314 10 30 AEEERN COc1ccc2c(c1)CC[C@]2(C)C=O 75579832 168261039 /nfs/dbraw/zinc/26/10/39/168261039.db2.gz RNUJGFSXJBLAPR-GFCCVEGCSA-N 0 0 190.242 2.098 10 30 AEEERN COc1ccc2c(c1)CC[C@H]1O[C@@H]21 19403407 168261250 /nfs/dbraw/zinc/26/12/50/168261250.db2.gz ZTKMWKYYVZCSEP-MNOVXSKESA-N 0 0 176.215 2.081 10 30 AEEERN COc1ccc2c(c1)/C(=N/O)CCC2 100469311 168261523 /nfs/dbraw/zinc/26/15/23/168261523.db2.gz HRTUAOKEKZVEPG-VAWYXSNFSA-N 0 0 191.230 2.210 10 30 in-vitro AEEERN COc1ccc2c(c1)CC[C@@]2(C)C=O 75579833 168261677 /nfs/dbraw/zinc/26/16/77/168261677.db2.gz RNUJGFSXJBLAPR-LBPRGKRZSA-N 0 0 190.242 2.098 10 30 AEEERN COc1ccc2c(c1)/C(=N\O)CCC2 22062384 168261963 /nfs/dbraw/zinc/26/19/63/168261963.db2.gz HRTUAOKEKZVEPG-QXMHVHEDSA-N 0 0 191.230 2.210 10 30 in-vitro AEEERN COc1ccc2c(c1)C/C(=N\O)CC2 34255458 168262195 /nfs/dbraw/zinc/26/21/95/168262195.db2.gz NEMOWGVHPDJJRU-BENRWUELSA-N 0 0 191.230 2.014 10 30 AEEERN COc1ccc2c(c1)CC[C@@H]1O[C@H]21 19403411 168262390 /nfs/dbraw/zinc/26/23/90/168262390.db2.gz ZTKMWKYYVZCSEP-WDEREUQCSA-N 0 0 176.215 2.081 10 30 AEEERN COc1ccc2c(c1)CCC[C@@H]2C=O 75579792 168262412 /nfs/dbraw/zinc/26/24/12/168262412.db2.gz UGAAVTXCQWSECT-SNVBAGLBSA-N 0 0 190.242 2.314 10 30 AEEERN COc1ccc2c(c1)[C@H](CC#N)CN2 71487031 168263025 /nfs/dbraw/zinc/26/30/25/168263025.db2.gz SKDZWOPNRRZLOD-MRVPVSSYSA-N 0 0 188.230 2.118 10 30 AEEERN COc1ccc2c(c1)[C@@H](C=O)CCC2 75579775 168263102 /nfs/dbraw/zinc/26/31/02/168263102.db2.gz KYVQUZIXEXJJED-SNVBAGLBSA-N 0 0 190.242 2.314 10 30 AEEERN COc1ccc2c(c1)NC[C@H]2CC#N 71487048 168263214 /nfs/dbraw/zinc/26/32/14/168263214.db2.gz IMHMNJLUAFYUIR-MRVPVSSYSA-N 0 0 188.230 2.118 10 30 AEEERN COc1ccc2c(c1)[C@@]1(CCC2)CO1 38234833 168263370 /nfs/dbraw/zinc/26/33/70/168263370.db2.gz JNSFPDTWFIFRFI-GFCCVEGCSA-N 0 0 190.242 2.257 10 30 AEEERN COc1ccc2c(c1)[C@H](C#N)CCO2 39168793 168263528 /nfs/dbraw/zinc/26/35/28/168263528.db2.gz PRFAFVIAGPYEAA-QMMMGPOBSA-N 0 0 189.214 2.085 10 30 AEEERN COc1ccc2c(c1)[C@H](C=O)CCC2 75579773 168263578 /nfs/dbraw/zinc/26/35/78/168263578.db2.gz KYVQUZIXEXJJED-JTQLQIEISA-N 0 0 190.242 2.314 10 30 AEEERN COc1ccc2c(c1)[C@@H](CC#N)CN2 71487033 168263652 /nfs/dbraw/zinc/26/36/52/168263652.db2.gz SKDZWOPNRRZLOD-QMMMGPOBSA-N 0 0 188.230 2.118 10 30 AEEERN COc1ccc2c(c1)NC[C@@H]2CC#N 71487046 168263815 /nfs/dbraw/zinc/26/38/15/168263815.db2.gz IMHMNJLUAFYUIR-QMMMGPOBSA-N 0 0 188.230 2.118 10 30 AEEERN COc1ccc2c(c1)[C@@H](C#N)CCO2 39168794 168263877 /nfs/dbraw/zinc/26/38/77/168263877.db2.gz PRFAFVIAGPYEAA-MRVPVSSYSA-N 0 0 189.214 2.085 10 30 AEEERN COc1ccc2c(c1)[C@]1(CCC2)CO1 38234835 168264461 /nfs/dbraw/zinc/26/44/61/168264461.db2.gz JNSFPDTWFIFRFI-LBPRGKRZSA-N 0 0 190.242 2.257 10 30 AEEERN COc1ccc2c(ccn2CC#N)c1 39148135 168264762 /nfs/dbraw/zinc/26/47/62/168264762.db2.gz PCMGTQPLIUHWPG-UHFFFAOYSA-N 0 0 186.214 2.173 10 30 AEEERN COc1ccc2c(c1)c(C#N)cn2C 82588113 168265103 /nfs/dbraw/zinc/26/51/03/168265103.db2.gz OIPMMVPDCMQPEK-UHFFFAOYSA-N 0 0 186.214 2.059 10 30 AEEERN COc1ccc2ccc(C#N)nc2c1 62566965 168265176 /nfs/dbraw/zinc/26/51/76/168265176.db2.gz UJYQADIIXIDPGN-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ccc2[nH]c(CS)nc2c1 71743312 168266239 /nfs/dbraw/zinc/26/62/39/168266239.db2.gz GJFHLODDFZEPNK-UHFFFAOYSA-N 0 0 194.259 2.001 10 30 AEEERN COc1ccc2ccncc2c1C#N 82768424 168266358 /nfs/dbraw/zinc/26/63/58/168266358.db2.gz FOCKJFBKEBNPKT-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ccc2occc2c1C#N 75563302 168266826 /nfs/dbraw/zinc/26/68/26/168266826.db2.gz JGHNIJMLLHXIEM-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN COc1cccc(C#N)c1OC1CC1 95729766 168267328 /nfs/dbraw/zinc/26/73/28/168267328.db2.gz RWVJRWIGNRFCKZ-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1cccc(C2=CC(=O)CC2)c1 32008014 168267637 /nfs/dbraw/zinc/26/76/37/168267637.db2.gz DIQQSAXLOCDLKX-UHFFFAOYSA-N 0 0 188.226 2.442 10 30 AEEERN COc1cccc(C#N)c1OC(C)C 62567572 168267716 /nfs/dbraw/zinc/26/77/16/168267716.db2.gz IVUZXHBPRKRWAW-UHFFFAOYSA-N 0 0 191.230 2.354 10 30 AEEERN COc1cccc(C(=O)[C@@H](C)C#N)c1 36931626 168267757 /nfs/dbraw/zinc/26/77/57/168267757.db2.gz IMOAGTSYVUZUTF-QMMMGPOBSA-N 0 0 189.214 2.038 10 30 AEEERN COc1cccc(C(=O)[C@H](C)C#N)c1 36931627 168267920 /nfs/dbraw/zinc/26/79/20/168267920.db2.gz IMOAGTSYVUZUTF-MRVPVSSYSA-N 0 0 189.214 2.038 10 30 AEEERN COc1cccc(C)c1CCC#N 75565546 168267969 /nfs/dbraw/zinc/26/79/69/168267969.db2.gz FAGQBYOWUNKNJC-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN COc1cccc(C(=O)CC#N)c1C 86860335 168268128 /nfs/dbraw/zinc/26/81/28/168268128.db2.gz PSEUWNSEMRMYON-UHFFFAOYSA-N 0 0 189.214 2.100 10 30 AEEERN COc1cccc(/C=C\C(C)=O)c1 6503262 168268231 /nfs/dbraw/zinc/26/82/31/168268231.db2.gz NGEZPLCPKXKLQQ-SREVYHEPSA-N 0 0 176.215 2.297 10 30 AEEERN COc1cccc(C(F)(F)C#N)c1 39148047 168268457 /nfs/dbraw/zinc/26/84/57/168268457.db2.gz KCOHFNKWZTUHKD-UHFFFAOYSA-N 0 0 183.157 2.311 10 30 AEEERN COc1cccc(/C=C\C(C)=O)c1O 38151933 168268470 /nfs/dbraw/zinc/26/84/70/168268470.db2.gz JAVAMUGNEBFMHD-SREVYHEPSA-N 0 0 192.214 2.003 10 30 AEEERN COc1cccc(CCC#N)c1F 84931305 168268513 /nfs/dbraw/zinc/26/85/13/168268513.db2.gz TWQVONSILYHPKZ-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN COc1cccc(COCCC#N)c1 19437532 168268847 /nfs/dbraw/zinc/26/88/47/168268847.db2.gz XOWJAMLOIMJEQK-UHFFFAOYSA-N 0 0 191.230 2.125 10 30 AEEERN COc1cccc(NC(C)(C)C#N)c1 37856837 168269480 /nfs/dbraw/zinc/26/94/80/168269480.db2.gz YFGKVXLQOHCYPH-UHFFFAOYSA-N 0 0 190.246 2.409 10 30 AEEERN COc1cccc(N[C@@H](C)CC#N)c1 32008250 168270360 /nfs/dbraw/zinc/27/03/60/168270360.db2.gz SJJAYJSHUVYQAY-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN COc1cccc([C@@H](C)C#N)c1OC 39203813 168270368 /nfs/dbraw/zinc/27/03/68/168270368.db2.gz WMBITHWWHAAADQ-QMMMGPOBSA-N 0 0 191.230 2.331 10 30 AEEERN COc1cccc(NC[C@H](C)C#N)c1 32008262 168270488 /nfs/dbraw/zinc/27/04/88/168270488.db2.gz WXGNNTHCKHPNOZ-SECBINFHSA-N 0 0 190.246 2.267 10 30 AEEERN COc1cccc(N[C@H](C)C#N)c1 37937814 168270547 /nfs/dbraw/zinc/27/05/47/168270547.db2.gz IRCOCIRVBFDVLE-MRVPVSSYSA-N 0 0 176.219 2.019 10 30 AEEERN COc1cccc(NCCCC#N)c1 20055769 168270580 /nfs/dbraw/zinc/27/05/80/168270580.db2.gz WUGRPTFVWWNZIX-UHFFFAOYSA-N 0 0 190.246 2.411 10 30 AEEERN COc1cccc(SC[C@@H]2CO2)c1 19863820 168270646 /nfs/dbraw/zinc/27/06/46/168270646.db2.gz CYMOZCOTMGIHAO-VIFPVBQESA-N 0 0 196.271 2.186 10 30 AEEERN COc1cccc(SC[C@H]2CO2)c1 19863823 168270649 /nfs/dbraw/zinc/27/06/49/168270649.db2.gz CYMOZCOTMGIHAO-SECBINFHSA-N 0 0 196.271 2.186 10 30 AEEERN COc1cccc(SCC#N)c1 19847588 168271029 /nfs/dbraw/zinc/27/10/29/168271029.db2.gz GDZVXLXQDMYZCI-UHFFFAOYSA-N 0 0 179.244 2.311 10 30 AEEERN COc1cccc(N[C@H](C)CC#N)c1 32008252 168271156 /nfs/dbraw/zinc/27/11/56/168271156.db2.gz SJJAYJSHUVYQAY-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN COc1cccc(OC2CC2)c1C#N 95728825 168271337 /nfs/dbraw/zinc/27/13/37/168271337.db2.gz HJZYXKYJKZMYNQ-UHFFFAOYSA-N 0 0 189.214 2.108 10 30 AEEERN COc1cccc(OCCCC#N)c1 19486426 168271656 /nfs/dbraw/zinc/27/16/56/168271656.db2.gz YRHFWSFUTMFYBJ-UHFFFAOYSA-N 0 0 191.230 2.378 10 30 AEEERN COc1cccc(NC[C@@H](C)C#N)c1 32008260 168271739 /nfs/dbraw/zinc/27/17/39/168271739.db2.gz WXGNNTHCKHPNOZ-VIFPVBQESA-N 0 0 190.246 2.267 10 30 AEEERN COc1cccc(N[C@@H](C)C#N)c1 37937813 168271753 /nfs/dbraw/zinc/27/17/53/168271753.db2.gz IRCOCIRVBFDVLE-QMMMGPOBSA-N 0 0 176.219 2.019 10 30 AEEERN COc1cccc(OCCS)c1 6858539 168271786 /nfs/dbraw/zinc/27/17/86/168271786.db2.gz QNGJLGLUMJDHDH-UHFFFAOYSA-N 0 0 184.260 2.004 10 30 AEEERN COc1cccc2c(C#N)cn(C)c12 82588115 168272326 /nfs/dbraw/zinc/27/23/26/168272326.db2.gz QSFIGAXVYKXJHZ-UHFFFAOYSA-N 0 0 186.214 2.059 10 30 AEEERN COc1cccc([C@H](C)C#N)c1OC 39203814 168272754 /nfs/dbraw/zinc/27/27/54/168272754.db2.gz WMBITHWWHAAADQ-MRVPVSSYSA-N 0 0 191.230 2.331 10 30 AEEERN COc1cccc2c(C#N)c(C)[nH]c12 82588116 168273306 /nfs/dbraw/zinc/27/33/06/168273306.db2.gz SCLWONOUAKPZAF-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN COc1cccc2c1CC[C@H]2C#N 41198669 168273508 /nfs/dbraw/zinc/27/35/08/168273508.db2.gz XCPWFKMDMIRUAO-QMMMGPOBSA-N 0 0 173.215 2.249 10 30 AEEERN COc1cccc2c1CCC[C@@H]1O[C@@H]21 19796271 168273960 /nfs/dbraw/zinc/27/39/60/168273960.db2.gz LXXRUWZJTZUVHB-RYUDHWBXSA-N 0 0 190.242 2.471 10 30 AEEERN COc1cccc2c1CC[C@@H]2C#N 41198667 168273997 /nfs/dbraw/zinc/27/39/97/168273997.db2.gz XCPWFKMDMIRUAO-MRVPVSSYSA-N 0 0 173.215 2.249 10 30 AEEERN COc1cccc2c1C[C@H](C#N)CC2 34406163 168274054 /nfs/dbraw/zinc/27/40/54/168274054.db2.gz OEWWIPGVAYJTSB-SECBINFHSA-N 0 0 187.242 2.324 10 30 AEEERN COc1cccc2c1NC[C@H]2CC#N 71487077 168274102 /nfs/dbraw/zinc/27/41/02/168274102.db2.gz ZILWMFWYVLGYIK-MRVPVSSYSA-N 0 0 188.230 2.118 10 30 AEEERN COc1cccc2c1CCC[C@H]1O[C@@H]21 16083213 168274146 /nfs/dbraw/zinc/27/41/46/168274146.db2.gz LXXRUWZJTZUVHB-NEPJUHHUSA-N 0 0 190.242 2.471 10 30 AEEERN COc1cccc2c1OCC[C@H]2C#N 41204442 168274292 /nfs/dbraw/zinc/27/42/92/168274292.db2.gz OKHACTPMKQSUHJ-QMMMGPOBSA-N 0 0 189.214 2.085 10 30 AEEERN COc1cccc2c1OCC[C@@H]2C#N 41204440 168274364 /nfs/dbraw/zinc/27/43/64/168274364.db2.gz OKHACTPMKQSUHJ-MRVPVSSYSA-N 0 0 189.214 2.085 10 30 AEEERN COc1cccc2c1CCC[C@H]1O[C@H]21 19796269 168274478 /nfs/dbraw/zinc/27/44/78/168274478.db2.gz LXXRUWZJTZUVHB-VXGBXAGGSA-N 0 0 190.242 2.471 10 30 AEEERN COc1cccc2c1CCC/C2=N/O 100374110 168274490 /nfs/dbraw/zinc/27/44/90/168274490.db2.gz DGGPOLXLMRQFQS-BENRWUELSA-N 0 0 191.230 2.210 10 30 AEEERN COc1cccc2c1NC[C@@H]2CC#N 71487076 168274810 /nfs/dbraw/zinc/27/48/10/168274810.db2.gz ZILWMFWYVLGYIK-QMMMGPOBSA-N 0 0 188.230 2.118 10 30 AEEERN COc1cccc2c1C[C@@H](C#N)CC2 34406164 168274812 /nfs/dbraw/zinc/27/48/12/168274812.db2.gz OEWWIPGVAYJTSB-VIFPVBQESA-N 0 0 187.242 2.324 10 30 AEEERN COc1cccc2c1CCC[C@@H]1O[C@H]21 16083216 168274857 /nfs/dbraw/zinc/27/48/57/168274857.db2.gz LXXRUWZJTZUVHB-NWDGAFQWSA-N 0 0 190.242 2.471 10 30 AEEERN COc1cccc2c1[C@H](CC#N)CN2 71487050 168275123 /nfs/dbraw/zinc/27/51/23/168275123.db2.gz LHALEZQDDCLUHE-MRVPVSSYSA-N 0 0 188.230 2.118 10 30 AEEERN Cc1ccncc1C(=O)[C@H](C)CC#N 135506531 343964628 /nfs/dbraw/zinc/96/46/28/343964628.db2.gz REKFNRRTIXWJFM-SECBINFHSA-N 0 0 188.230 2.123 10 30 AEEERN COc1cccc2oc(C#N)cc12 3607564 168275961 /nfs/dbraw/zinc/27/59/61/168275961.db2.gz BIHPNWHPANRXIG-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN COc1cccc2c1[C@@H](CC#N)CN2 71487052 168276330 /nfs/dbraw/zinc/27/63/30/168276330.db2.gz LHALEZQDDCLUHE-QMMMGPOBSA-N 0 0 188.230 2.118 10 30 AEEERN COc1ccccc1/C=C\C(C)=O 95935206 168276728 /nfs/dbraw/zinc/27/67/28/168276728.db2.gz BTSZEPMWUWYLCP-FPLPWBNLSA-N 0 0 176.215 2.297 10 30 AEEERN COc1ccccc1/C=C/C=N\O 16228322 168276854 /nfs/dbraw/zinc/27/68/54/168276854.db2.gz HPWPSNRSGWXWFN-NBUPAEHBSA-N 0 0 177.203 2.168 10 30 AEEERN COc1ccccc1NC(=S)C#N 27618126 168276878 /nfs/dbraw/zinc/27/68/78/168276878.db2.gz IGEHLRMGUQXUGN-UHFFFAOYSA-N 0 0 192.243 2.179 10 30 AEEERN COc1ccccc1[C@H](C#N)CC#N 41203449 168277929 /nfs/dbraw/zinc/27/79/29/168277929.db2.gz CBFSPHAEJBETSZ-VIFPVBQESA-N 0 0 186.214 2.216 10 30 AEEERN COc1ccccc1[C@H](C)CC=O 75568555 168278495 /nfs/dbraw/zinc/27/84/95/168278495.db2.gz RXSRMJVVWPGCQG-SECBINFHSA-N 0 0 178.231 2.388 10 30 AEEERN COc1ccccc1[C@H](C)C#N 37245537 168278812 /nfs/dbraw/zinc/27/88/12/168278812.db2.gz IHBPMWBJAWZDBI-MRVPVSSYSA-N 0 0 161.204 2.322 10 30 AEEERN COc1nc2ccccc2cc1C#N 11727639 168286442 /nfs/dbraw/zinc/28/64/42/168286442.db2.gz MDRKEUXLMJBPCY-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN COc1ncc(C#N)c2ccccc12 75576487 168286821 /nfs/dbraw/zinc/28/68/21/168286821.db2.gz UUOLORNXABWKEA-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN Cc1ccncc1C(=O)C[C@H](C)C#N 135506573 343964653 /nfs/dbraw/zinc/96/46/53/343964653.db2.gz AZVZXFZWGZLLNO-QMMMGPOBSA-N 0 0 188.230 2.123 10 30 AEEERN C[C@@H]1C[C@H]1CNc1cccc(C#N)n1 135515012 343964664 /nfs/dbraw/zinc/96/46/64/343964664.db2.gz KFJLPRHAASLQJR-BDAKNGLRSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@@H]1C[C@@H]1CNc1cccc(C#N)n1 135514973 343964666 /nfs/dbraw/zinc/96/46/66/343964666.db2.gz KFJLPRHAASLQJR-RKDXNWHRSA-N 0 0 187.246 2.021 10 30 AEEERN CSC(=N)Nc1ccccc1F 6259693 168296162 /nfs/dbraw/zinc/29/61/62/168296162.db2.gz VHCWITBSHNTJTR-UHFFFAOYSA-N 0 0 184.239 2.135 10 30 AEEERN CS/C=N/c1nccs1 39134689 168296490 /nfs/dbraw/zinc/29/64/90/168296490.db2.gz FNKYLQHXNMSNLN-QPJJXVBHSA-N 0 0 158.251 2.166 10 30 AEEERN Cc1ccncc1C(=O)[C@@H](C)CC#N 135506509 343964675 /nfs/dbraw/zinc/96/46/75/343964675.db2.gz REKFNRRTIXWJFM-VIFPVBQESA-N 0 0 188.230 2.123 10 30 AEEERN CS/C=C1/CCCCC1=O 33719810 168297171 /nfs/dbraw/zinc/29/71/71/168297171.db2.gz VPPFTOSULQOOLD-SREVYHEPSA-N 0 0 156.250 2.376 10 30 AEEERN CS/C=C/CCCC=O 75529696 168297201 /nfs/dbraw/zinc/29/72/01/168297201.db2.gz ZZMDAQCRHHUEJM-FNORWQNLSA-N 0 0 144.239 2.232 10 30 AEEERN CSC1(C=O)CCCCC1 39063213 168297217 /nfs/dbraw/zinc/29/72/17/168297217.db2.gz WWQJSZPBYVUFRR-UHFFFAOYSA-N 0 0 158.266 2.251 10 30 AEEERN CS/C=C/C(=O)c1ccco1 104835936 168297494 /nfs/dbraw/zinc/29/74/94/168297494.db2.gz IIXPXSVIEAYFBH-GQCTYLIASA-N 0 0 168.217 2.339 10 30 AEEERN CSCCOc1ccc(C#N)cc1 37975899 168299853 /nfs/dbraw/zinc/29/98/53/168299853.db2.gz DFLPPLCBWJEWNX-UHFFFAOYSA-N 0 0 193.271 2.300 10 30 AEEERN CSCC[C@@H](C#N)NC1CCCC1 37968579 168300025 /nfs/dbraw/zinc/30/00/25/168300025.db2.gz MHIKCQZHFZZJTA-JTQLQIEISA-N 0 0 198.335 2.164 10 30 AEEERN CSCCCCCS 32163298 168300807 /nfs/dbraw/zinc/30/08/07/168300807.db2.gz MWZUZTLBVFYJHR-UHFFFAOYSA-N 0 0 150.312 2.450 10 30 AEEERN CSCC[C@@H](C#N)N1CCCCC1 37472288 168300886 /nfs/dbraw/zinc/30/08/86/168300886.db2.gz GRJVMLQRXBXADZ-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN CSCC[C@H](C#N)NC1CCCC1 37968580 168301868 /nfs/dbraw/zinc/30/18/68/168301868.db2.gz MHIKCQZHFZZJTA-SNVBAGLBSA-N 0 0 198.335 2.164 10 30 AEEERN CSCO[C@]1(C#N)C=CCCC1 39090125 168302818 /nfs/dbraw/zinc/30/28/18/168302818.db2.gz FNXANPZUZWHRGK-SECBINFHSA-N 0 0 183.276 2.326 10 30 AEEERN CSCC[C@H](C#N)N1CCCCC1 37472289 168303494 /nfs/dbraw/zinc/30/34/94/168303494.db2.gz GRJVMLQRXBXADZ-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN CSCO[C@@]1(C#N)C=CCCC1 39090124 168303678 /nfs/dbraw/zinc/30/36/78/168303678.db2.gz FNXANPZUZWHRGK-VIFPVBQESA-N 0 0 183.276 2.326 10 30 AEEERN CSCc1ncc(CC#N)s1 82416406 168304453 /nfs/dbraw/zinc/30/44/53/168304453.db2.gz YMTBJSQBGJIAME-UHFFFAOYSA-N 0 0 184.289 2.072 10 30 AEEERN CSCc1nc(C)c(C#N)s1 82420224 168304881 /nfs/dbraw/zinc/30/48/81/168304881.db2.gz KOSOHDJPFRKFGA-UHFFFAOYSA-N 0 0 184.289 2.186 10 30 AEEERN CSCc1cc(C#N)ccc1N 75568723 168305094 /nfs/dbraw/zinc/30/50/94/168305094.db2.gz ZJJKIKSDOFFBIS-UHFFFAOYSA-N 0 0 178.260 2.003 10 30 AEEERN CSC[C@](C)(C#N)C(C)(C)C#N 75576132 168305161 /nfs/dbraw/zinc/30/51/61/168305161.db2.gz IJEYASHUSFQWOV-VIFPVBQESA-N 0 0 182.292 2.429 10 30 AEEERN CSC[C@@](C)(C#N)C(C)(C)C#N 75576131 168305366 /nfs/dbraw/zinc/30/53/66/168305366.db2.gz IJEYASHUSFQWOV-SECBINFHSA-N 0 0 182.292 2.429 10 30 AEEERN CS[C@@H]1CCC[C@H]1C#N 38063648 168305787 /nfs/dbraw/zinc/30/57/87/168305787.db2.gz QPYGJORCDHTOBG-NKWVEPMBSA-N 0 0 141.239 2.042 10 30 AEEERN CS[C@@H](C=O)C1CCCCC1 75562999 168306332 /nfs/dbraw/zinc/30/63/32/168306332.db2.gz FBUZYACOYZMTEX-VIFPVBQESA-N 0 0 172.293 2.497 10 30 AEEERN CS[C@@H]1CCCC[C@H]1C#N 38063676 168306436 /nfs/dbraw/zinc/30/64/36/168306436.db2.gz RPTNZTODHLRSAQ-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN CS[C@@H](C=O)c1ccccc1 34091345 168306557 /nfs/dbraw/zinc/30/65/57/168306557.db2.gz OLBIMKCDKDKKFL-VIFPVBQESA-N 0 0 166.245 2.290 10 30 AEEERN CS[C@@H]1CCCC[C@@H]1C#N 38063674 168306607 /nfs/dbraw/zinc/30/66/07/168306607.db2.gz RPTNZTODHLRSAQ-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN CS[C@@H]1CCC[C@@H]1C#N 38063646 168306675 /nfs/dbraw/zinc/30/66/75/168306675.db2.gz QPYGJORCDHTOBG-RNFRBKRXSA-N 0 0 141.239 2.042 10 30 AEEERN CS[C@@H]1C=C(C(C)=O)CCC1 39072638 168306847 /nfs/dbraw/zinc/30/68/47/168306847.db2.gz GLGHXEQHDLQVNW-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN CS[C@H]1CCCC[C@H]1C#N 38063677 168307590 /nfs/dbraw/zinc/30/75/90/168307590.db2.gz RPTNZTODHLRSAQ-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN CS[C@H]1CCCC[C@@H]1C#N 38063675 168307663 /nfs/dbraw/zinc/30/76/63/168307663.db2.gz RPTNZTODHLRSAQ-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN CS[C@H]1C=C(C(C)=O)CCC1 39072637 168308047 /nfs/dbraw/zinc/30/80/47/168308047.db2.gz GLGHXEQHDLQVNW-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN CS[C@H]1CCC[C@H]1C#N 38063649 168308073 /nfs/dbraw/zinc/30/80/73/168308073.db2.gz QPYGJORCDHTOBG-BQBZGAKWSA-N 0 0 141.239 2.042 10 30 AEEERN CS[C@@](C)(C=O)c1ccccc1 75570303 168308179 /nfs/dbraw/zinc/30/81/79/168308179.db2.gz DPBMRAWMFLMLLI-JTQLQIEISA-N 0 0 180.272 2.464 10 30 AEEERN CS[C@H](C=O)c1ccccc1 34091346 168308345 /nfs/dbraw/zinc/30/83/45/168308345.db2.gz OLBIMKCDKDKKFL-SECBINFHSA-N 0 0 166.245 2.290 10 30 AEEERN CS[C@H]1CCC[C@@H]1C#N 38063647 168308468 /nfs/dbraw/zinc/30/84/68/168308468.db2.gz QPYGJORCDHTOBG-RQJHMYQMSA-N 0 0 141.239 2.042 10 30 AEEERN CS[C@H](C=O)C1CCCCC1 75563002 168308519 /nfs/dbraw/zinc/30/85/19/168308519.db2.gz FBUZYACOYZMTEX-SECBINFHSA-N 0 0 172.293 2.497 10 30 AEEERN CS[C@](C)(C=O)c1ccccc1 75570302 168308731 /nfs/dbraw/zinc/30/87/31/168308731.db2.gz DPBMRAWMFLMLLI-SNVBAGLBSA-N 0 0 180.272 2.464 10 30 AEEERN CSc1cc(C#N)ccc1F 75927471 168308799 /nfs/dbraw/zinc/30/87/99/168308799.db2.gz PHEGSMDBOWVBIV-UHFFFAOYSA-N 0 0 167.208 2.419 10 30 AEEERN CSc1cc(C)nc(C)c1C#N 34346633 168308815 /nfs/dbraw/zinc/30/88/15/168308815.db2.gz GZIWPESJQPMBIF-UHFFFAOYSA-N 0 0 178.260 2.292 10 30 AEEERN CSc1cc(C#N)cc(Cl)n1 96868783 168309673 /nfs/dbraw/zinc/30/96/73/168309673.db2.gz YRJYOSNNBUYOLR-UHFFFAOYSA-N 0 0 184.651 2.329 10 30 AEEERN CSc1ccc(NCC#N)cc1 20043759 168310293 /nfs/dbraw/zinc/31/02/93/168310293.db2.gz WWFZFISJGKONAA-UHFFFAOYSA-N 0 0 178.260 2.344 10 30 AEEERN Cc1ccc(C#N)c(NC2(C)CC2)n1 135572161 343965454 /nfs/dbraw/zinc/96/54/54/343965454.db2.gz WFNONJVWUREVAJ-UHFFFAOYSA-N 0 0 187.246 2.226 10 30 AEEERN CSc1ccc(N)c(C#N)c1F 75926576 168311126 /nfs/dbraw/zinc/31/11/26/168311126.db2.gz VHBGBOFREJIWPY-UHFFFAOYSA-N 0 0 182.223 2.001 10 30 AEEERN CSc1cccc(NCC#N)c1 20038970 168312298 /nfs/dbraw/zinc/31/22/98/168312298.db2.gz BWKKQFOSRMGPOB-UHFFFAOYSA-N 0 0 178.260 2.344 10 30 AEEERN CSc1cccc(CNCC#N)c1 75581015 168312385 /nfs/dbraw/zinc/31/23/85/168312385.db2.gz IYLTUIOPKONQLZ-UHFFFAOYSA-N 0 0 192.287 2.022 10 30 AEEERN CSc1ccc2n1CC[C@H]2C#N 75568738 168312456 /nfs/dbraw/zinc/31/24/56/168312456.db2.gz YRODFSBERDQPTO-ZETCQYMHSA-N 0 0 178.260 2.221 10 30 AEEERN CSc1cccc(C#N)c1F 75927469 168312530 /nfs/dbraw/zinc/31/25/30/168312530.db2.gz VXBIXXLDSSNYQV-UHFFFAOYSA-N 0 0 167.208 2.419 10 30 AEEERN CSc1ccc2n1CC[C@@H]2C#N 75568733 168312748 /nfs/dbraw/zinc/31/27/48/168312748.db2.gz YRODFSBERDQPTO-SSDOTTSWSA-N 0 0 178.260 2.221 10 30 AEEERN CSc1ncc2c(c1C#N)CCC2 84226856 168315663 /nfs/dbraw/zinc/31/56/63/168315663.db2.gz HASTWGUEKWIMPZ-UHFFFAOYSA-N 0 0 190.271 2.164 10 30 AEEERN C[C@@H](/C=N/c1ccccc1)CO 96675396 168317289 /nfs/dbraw/zinc/31/72/89/168317289.db2.gz HIBAEKRJQJJIHQ-FKVCUQLRSA-N 0 0 163.220 2.017 10 30 AEEERN C[C@@H](C#N)C(=O)CC(C)(C)C 36931562 168317381 /nfs/dbraw/zinc/31/73/81/168317381.db2.gz PUYZITWDUNTSRR-ZETCQYMHSA-N 0 0 153.225 2.151 10 30 AEEERN C[C@@H](C#N)C(=O)CC1CCCC1 38137655 168317538 /nfs/dbraw/zinc/31/75/38/168317538.db2.gz QANZLHIWNPEZQI-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN CSc1sccc1/C=N/O 15924193 168318362 /nfs/dbraw/zinc/31/83/62/168318362.db2.gz ZVPVUKOTPDJXLV-QPJJXVBHSA-N 0 0 173.262 2.278 10 30 AEEERN CSc1sccc1C#N 82406526 168318454 /nfs/dbraw/zinc/31/84/54/168318454.db2.gz CNRRZYYKTUYCNK-UHFFFAOYSA-N 0 0 155.247 2.342 10 30 AEEERN CSc1snc(C)c1C#N 75560341 168318481 /nfs/dbraw/zinc/31/84/81/168318481.db2.gz ODVMLSMCMRUZHE-UHFFFAOYSA-N 0 0 170.262 2.045 10 30 AEEERN C[C@@H](/C=N\O)c1ccccc1 100616097 168318744 /nfs/dbraw/zinc/31/87/44/168318744.db2.gz SETWHVMVMWYJQA-LRUQUBRESA-N 0 0 149.193 2.250 10 30 AEEERN C[C@@H](C#N)CN1Cc2ccccc2C1 50911256 168318933 /nfs/dbraw/zinc/31/89/33/168318933.db2.gz TWVSXWIAFSYLDV-JTQLQIEISA-N 0 0 186.258 2.162 10 30 AEEERN C[C@@H](C#N)C(=O)c1ccc(F)cc1F 34975760 168318939 /nfs/dbraw/zinc/31/89/39/168318939.db2.gz FXSMAAQMDHNLCO-LURJTMIESA-N 0 0 195.168 2.307 10 30 AEEERN C[C@@H](C#N)CC(=O)c1cccs1 33426686 168318985 /nfs/dbraw/zinc/31/89/85/168318985.db2.gz HGTOSAWLXBMDFQ-SSDOTTSWSA-N 0 0 179.244 2.481 10 30 AEEERN C[C@@H](C#N)CCC(C)(C)C=O 75540168 168319060 /nfs/dbraw/zinc/31/90/60/168319060.db2.gz SVXJSWNTLWFFPL-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN C[C@@H](C#N)CC(=O)c1ccccc1O 31990385 168319280 /nfs/dbraw/zinc/31/92/80/168319280.db2.gz GSPNUTGWHKOABL-MRVPVSSYSA-N 0 0 189.214 2.125 10 30 AEEERN C[C@@H](C#N)CN(C)c1ccc(F)cc1 49806870 168319513 /nfs/dbraw/zinc/31/95/13/168319513.db2.gz MBVJPEVYLDNLGH-VIFPVBQESA-N 0 0 192.237 2.422 10 30 AEEERN C[C@@H](C#N)CN1CCc2ccccc21 36984983 168319827 /nfs/dbraw/zinc/31/98/27/168319827.db2.gz KOHJQEITMDKNOQ-JTQLQIEISA-N 0 0 186.258 2.209 10 30 AEEERN C[C@@H](C#N)CN(C)c1cccc(F)c1 49806874 168319833 /nfs/dbraw/zinc/31/98/33/168319833.db2.gz SHAOATKYKFCNKV-VIFPVBQESA-N 0 0 192.237 2.422 10 30 AEEERN C[C@@H](C#N)C(=O)c1ccc(F)c(F)c1 36935097 168319853 /nfs/dbraw/zinc/31/98/53/168319853.db2.gz UCOIJHLRWIZYEN-LURJTMIESA-N 0 0 195.168 2.307 10 30 AEEERN C[C@@H](C#N)CC(=O)C1CCCC1 51690447 168319874 /nfs/dbraw/zinc/31/98/74/168319874.db2.gz NITCREJDLPDCIG-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](C#N)C(=O)c1cc(F)ccc1F 34975757 168319877 /nfs/dbraw/zinc/31/98/77/168319877.db2.gz ONXQUSAWTZTRAA-LURJTMIESA-N 0 0 195.168 2.307 10 30 AEEERN C[C@@H](C#N)C(=O)c1cccs1 36931614 168319920 /nfs/dbraw/zinc/31/99/20/168319920.db2.gz BJAACVPBBBEVFT-LURJTMIESA-N 0 0 165.217 2.090 10 30 AEEERN C[C@@H](C#N)CC(=O)Nc1ccccc1 49806255 168320067 /nfs/dbraw/zinc/32/00/67/168320067.db2.gz WLOZKAQGNYNJBU-SECBINFHSA-N 0 0 188.230 2.175 10 30 AEEERN C[C@@H](C#N)CCC[C@@H](C)C#N 34593566 168320101 /nfs/dbraw/zinc/32/01/01/168320101.db2.gz IERAUDYEBKFNFZ-RKDXNWHRSA-N 0 0 150.225 2.476 10 30 AEEERN C[C@@H](C#N)CC[C@@H](C)C#N 34080220 168320141 /nfs/dbraw/zinc/32/01/41/168320141.db2.gz OJAINTHUXHKETM-HTQZYQBOSA-N 0 0 136.198 2.086 10 30 AEEERN C[C@@H](C#N)CC(=O)c1cccc(O)c1 31994131 168320265 /nfs/dbraw/zinc/32/02/65/168320265.db2.gz DCFSIMQGMOAPBR-MRVPVSSYSA-N 0 0 189.214 2.125 10 30 AEEERN C[C@@H](C#N)C(=O)c1cc(F)cc(F)c1 36935133 168320371 /nfs/dbraw/zinc/32/03/71/168320371.db2.gz DSPHVDIJUISZEN-LURJTMIESA-N 0 0 195.168 2.307 10 30 AEEERN C[C@@H](C#N)CC(=O)c1ccco1 49804784 168320388 /nfs/dbraw/zinc/32/03/88/168320388.db2.gz FPZLXLASCVXKTF-SSDOTTSWSA-N 0 0 163.176 2.012 10 30 AEEERN C[C@@H](C#N)CN(C)c1ccccc1F 49806866 168320593 /nfs/dbraw/zinc/32/05/93/168320593.db2.gz QVXLNHMMVSFQQS-VIFPVBQESA-N 0 0 192.237 2.422 10 30 AEEERN C[C@@H](C#N)CC(=O)c1ccc(O)cc1 31994136 168320655 /nfs/dbraw/zinc/32/06/55/168320655.db2.gz TYDRCPLVDSUEAP-MRVPVSSYSA-N 0 0 189.214 2.125 10 30 AEEERN C[C@@H](C#N)C(=O)c1cccc(F)c1 36931616 168320705 /nfs/dbraw/zinc/32/07/05/168320705.db2.gz HBMLRQWDUXAMEZ-ZETCQYMHSA-N 0 0 177.178 2.168 10 30 AEEERN C[C@@H](C#N)C(=O)c1ccccc1F 36935025 168320757 /nfs/dbraw/zinc/32/07/57/168320757.db2.gz SUDXVLWSQAQDPX-ZETCQYMHSA-N 0 0 177.178 2.168 10 30 AEEERN C[C@@H](C#N)CN(C)c1ccccc1 31945918 168320885 /nfs/dbraw/zinc/32/08/85/168320885.db2.gz JCKKRUAVWGMKMH-JTQLQIEISA-N 0 0 174.247 2.282 10 30 AEEERN C[C@@H](C#N)CNc1ccccc1C#N 36985025 168321140 /nfs/dbraw/zinc/32/11/40/168321140.db2.gz WPWNRABHYHUERT-VIFPVBQESA-N 0 0 185.230 2.130 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H]2CCCC[C@@H]2C1 48583239 168321170 /nfs/dbraw/zinc/32/11/70/168321170.db2.gz FFFARYVXMLMDFI-SDDRHHMPSA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H](C#N)N(C)Cc1cccc(F)c1 44287240 168321199 /nfs/dbraw/zinc/32/11/99/168321199.db2.gz NFPJYVZYEASUGB-VIFPVBQESA-N 0 0 192.237 2.170 10 30 AEEERN C[C@@H](C#N)N(C)[C@@H]1CCC[C@@H](C)C1 43522159 168321248 /nfs/dbraw/zinc/32/12/48/168321248.db2.gz LHFXSULJFAITHK-OUAUKWLOSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H](C#N)CN[C@H](C)c1ccccc1 36667701 168321281 /nfs/dbraw/zinc/32/12/81/168321281.db2.gz VRILLURVYMTWAJ-WDEREUQCSA-N 0 0 188.274 2.497 10 30 AEEERN C[C@@H](C#N)N(C)Cc1ccsc1 48583488 168321344 /nfs/dbraw/zinc/32/13/44/168321344.db2.gz MSPWKGPVVCVEOG-QMMMGPOBSA-N 0 0 180.276 2.092 10 30 AEEERN C[C@@H](C#N)N(C)CC1CCCCC1 44427541 168321387 /nfs/dbraw/zinc/32/13/87/168321387.db2.gz QTJMSIOPKZGYCN-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H](C#N)CSc1nccs1 40676804 168321458 /nfs/dbraw/zinc/32/14/58/168321458.db2.gz YQMQJEPKAVZDTB-LURJTMIESA-N 0 0 184.289 2.395 10 30 AEEERN C[C@@H](C#N)CNc1cccc(C#N)c1 36668981 168321517 /nfs/dbraw/zinc/32/15/17/168321517.db2.gz CZUZRSOZJJECMY-VIFPVBQESA-N 0 0 185.230 2.130 10 30 AEEERN C[C@@H](C#N)N(C)c1ccccc1 39233898 168321531 /nfs/dbraw/zinc/32/15/31/168321531.db2.gz HAMNZIGCXKLDPH-VIFPVBQESA-N 0 0 160.220 2.035 10 30 AEEERN C[C@@H](C#N)N1CCC(C)(C2CC2)CC1 335726007 168321647 /nfs/dbraw/zinc/32/16/47/168321647.db2.gz CERXDKDCVCHSRO-JTQLQIEISA-N 0 0 192.306 2.411 10 30 AEEERN C[C@@H](C#N)C[C@@H](O)c1ccc(F)cc1 49807026 168321726 /nfs/dbraw/zinc/32/17/26/168321726.db2.gz ABRLQRQULJDHOS-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](C#N)C[C@H]1CCCC(=O)C1 75546882 168321747 /nfs/dbraw/zinc/32/17/47/168321747.db2.gz YOMQADFUCAGDSC-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](C#N)N(C)Cc1ccccc1 44287201 168321813 /nfs/dbraw/zinc/32/18/13/168321813.db2.gz VYXNERPBALQJLA-JTQLQIEISA-N 0 0 174.247 2.030 10 30 AEEERN C[C@@H](C#N)N(C)Cc1ccccc1F 44287272 168321825 /nfs/dbraw/zinc/32/18/25/168321825.db2.gz MXFDYIYEJWIYGO-VIFPVBQESA-N 0 0 192.237 2.170 10 30 AEEERN C[C@@H](C#N)N(C)Cc1ccc(F)cc1 44287108 168321932 /nfs/dbraw/zinc/32/19/32/168321932.db2.gz YFWIXXWZAAPSHS-VIFPVBQESA-N 0 0 192.237 2.170 10 30 AEEERN C[C@@H](C#N)N(C)CCC(C)(C)C 45144593 168321949 /nfs/dbraw/zinc/32/19/49/168321949.db2.gz MCESYLLQIBUQNU-VIFPVBQESA-N 0 0 168.284 2.266 10 30 AEEERN C[C@@H](C#N)C[C@H](O)c1ccccc1 49805226 168321960 /nfs/dbraw/zinc/32/19/60/168321960.db2.gz DDUBUJSFQOIPIR-KOLCDFICSA-N 0 0 175.231 2.270 10 30 AEEERN C[C@@H](C#N)CNc1ccc(F)cc1 32007099 168321994 /nfs/dbraw/zinc/32/19/94/168321994.db2.gz CCNHULRRZOIWQC-QMMMGPOBSA-N 0 0 178.210 2.397 10 30 AEEERN C[C@@H](C#N)N(C)CC1CCCC1 45144296 168322049 /nfs/dbraw/zinc/32/20/49/168322049.db2.gz RWYLENCPSGKAMD-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H](C#N)N(C)[C@@H](C)C(C)(C)C 43522392 168322125 /nfs/dbraw/zinc/32/21/25/168322125.db2.gz SEJBPQMOJKMVRK-IUCAKERBSA-N 0 0 168.284 2.265 10 30 AEEERN C[C@@H](C#N)C[C@@H]1CCCC(=O)C1 75546879 168322138 /nfs/dbraw/zinc/32/21/38/168322138.db2.gz YOMQADFUCAGDSC-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](C#N)C[C@@H](O)c1cccs1 49805724 168322160 /nfs/dbraw/zinc/32/21/60/168322160.db2.gz UMJDPPQZMRBNLU-HTQZYQBOSA-N 0 0 181.260 2.331 10 30 AEEERN C[C@@H](C#N)N1CCC(C)(C)CC1 61819937 168322178 /nfs/dbraw/zinc/32/21/78/168322178.db2.gz CDIKLLIXARABCW-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H](C#N)CNc1ccccc1F 32007096 168322226 /nfs/dbraw/zinc/32/22/26/168322226.db2.gz GOQAETSEECBTDE-QMMMGPOBSA-N 0 0 178.210 2.397 10 30 AEEERN C[C@@H](C#N)C[C@H](O)c1ccc(F)cc1 49807024 168322413 /nfs/dbraw/zinc/32/24/13/168322413.db2.gz ABRLQRQULJDHOS-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](C#N)CN[C@H](C)c1ccco1 35206984 168322499 /nfs/dbraw/zinc/32/24/99/168322499.db2.gz HIRHJLYFDFINQF-DTWKUNHWSA-N 0 0 178.235 2.090 10 30 AEEERN C[C@@H](C#N)Cc1ccc(O)cc1 410058 168322532 /nfs/dbraw/zinc/32/25/32/168322532.db2.gz RXPUIKMFNFLESE-MRVPVSSYSA-N 0 0 161.204 2.094 10 30 AEEERN C[C@@H](C#N)CSc1ccccn1 36668333 168322545 /nfs/dbraw/zinc/32/25/45/168322545.db2.gz NXEWWBKIZRBFSK-QMMMGPOBSA-N 0 0 178.260 2.333 10 30 AEEERN C[C@@H](C#N)CNc1cccc(F)c1 32007103 168322571 /nfs/dbraw/zinc/32/25/71/168322571.db2.gz FGPMYVCVHRDZMP-QMMMGPOBSA-N 0 0 178.210 2.397 10 30 AEEERN C[C@@H](C#N)N(C)CCc1ccccc1 45144023 168322579 /nfs/dbraw/zinc/32/25/79/168322579.db2.gz KQVMFTBUQZUPKH-NSHDSACASA-N 0 0 188.274 2.073 10 30 AEEERN C[C@@H](C#N)Cn1ncc2ccccc21 50525781 168322588 /nfs/dbraw/zinc/32/25/88/168322588.db2.gz QYFHLABTAATBJD-VIFPVBQESA-N 0 0 185.230 2.196 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H](C(C)(C)C)C1 230141882 168322648 /nfs/dbraw/zinc/32/26/48/168322648.db2.gz GZIQUPNQYOQSKB-VHSXEESVSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H](C#N)C[C@@H](O)c1ccccc1 49805228 168322743 /nfs/dbraw/zinc/32/27/43/168322743.db2.gz DDUBUJSFQOIPIR-MWLCHTKSSA-N 0 0 175.231 2.270 10 30 AEEERN C[C@@H](C#N)C[C@H](O)c1ccccc1F 49807016 168322864 /nfs/dbraw/zinc/32/28/64/168322864.db2.gz FSMVICFETGKESZ-KCJUWKMLSA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](C#N)Cn1cnc2ccccc21 36667729 168322902 /nfs/dbraw/zinc/32/29/02/168322902.db2.gz AZVLJWSTQRAKAM-VIFPVBQESA-N 0 0 185.230 2.196 10 30 AEEERN C[C@@H](C#N)N(Cc1ccco1)C1CC1 43522387 168322926 /nfs/dbraw/zinc/32/29/26/168322926.db2.gz YUUZAIZDQRJNSR-VIFPVBQESA-N 0 0 190.246 2.156 10 30 AEEERN C[C@@H](C#N)C[C@H](O)c1cccs1 49805722 168322946 /nfs/dbraw/zinc/32/29/46/168322946.db2.gz UMJDPPQZMRBNLU-SFYZADRCSA-N 0 0 181.260 2.331 10 30 AEEERN C[C@@H](C#N)C[C@@H](O)c1ccccc1F 49807018 168322949 /nfs/dbraw/zinc/32/29/49/168322949.db2.gz FSMVICFETGKESZ-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](C#N)CNc1ccccc1 32005986 168322964 /nfs/dbraw/zinc/32/29/64/168322964.db2.gz UEHPSSVKTDSBIQ-VIFPVBQESA-N 0 0 160.220 2.258 10 30 AEEERN C[C@@H](C#N)N(CCC#N)c1ccccc1 44427386 168322970 /nfs/dbraw/zinc/32/29/70/168322970.db2.gz ASDFBUFDJTXPAL-NSHDSACASA-N 0 0 199.257 2.319 10 30 AEEERN C[C@@H](C#N)Nc1ccc(F)cc1 37935880 168323122 /nfs/dbraw/zinc/32/31/22/168323122.db2.gz KMWRISRTGYELKS-ZETCQYMHSA-N 0 0 164.183 2.150 10 30 AEEERN C[C@@H](C#N)Nc1cccc(F)c1C#N 43514933 168323165 /nfs/dbraw/zinc/32/31/65/168323165.db2.gz WNYZUXROOASBFF-ZETCQYMHSA-N 0 0 189.193 2.021 10 30 AEEERN C[C@@H](C#N)c1ccc(N)c(F)c1 75546030 168323175 /nfs/dbraw/zinc/32/31/75/168323175.db2.gz SXROZCCZEGDMNU-LURJTMIESA-N 0 0 164.183 2.035 10 30 AEEERN C[C@@H](C#N)[C@H](C#N)c1ccccc1 75559842 168323223 /nfs/dbraw/zinc/32/32/23/168323223.db2.gz IRDHCWSSTIPWLX-ONGXEEELSA-N 0 0 170.215 2.453 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1cccc(F)c1 43515508 168323226 /nfs/dbraw/zinc/32/32/26/168323226.db2.gz CGJRRUPPEYJVJH-DTWKUNHWSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@@H](C#N)Oc1cccc([C@@H](C)O)c1 43517315 168323244 /nfs/dbraw/zinc/32/32/44/168323244.db2.gz NKFFLAZPYIWZPR-DTWKUNHWSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](C#N)c1ccccc1F 37245459 168323293 /nfs/dbraw/zinc/32/32/93/168323293.db2.gz XIKDFPBWNXGBFT-ZETCQYMHSA-N 0 0 149.168 2.453 10 30 AEEERN C[C@@H](C#N)NC1CCCCCC1 20177610 168323296 /nfs/dbraw/zinc/32/32/96/168323296.db2.gz HMBODNBNHBBQJY-VIFPVBQESA-N 0 0 166.268 2.211 10 30 AEEERN C[C@@H](C#N)NC[C@H]1CCCC[C@@H]1C 43515578 168323302 /nfs/dbraw/zinc/32/33/02/168323302.db2.gz TXJVLUBXRVUNKE-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H](C#N)Nc1c(F)cccc1F 43514759 168323307 /nfs/dbraw/zinc/32/33/07/168323307.db2.gz HFUBEZVOPJLIAH-LURJTMIESA-N 0 0 182.173 2.289 10 30 AEEERN C[C@@H](C#N)c1ccc(O)cc1 5734644 168323385 /nfs/dbraw/zinc/32/33/85/168323385.db2.gz BTNSSVRIZUUYGM-ZETCQYMHSA-N 0 0 147.177 2.019 10 30 AEEERN C[C@@H](C#N)Nc1ccc(CC#N)cc1 51601102 168323436 /nfs/dbraw/zinc/32/34/36/168323436.db2.gz GWBUTVIMUCVRFD-VIFPVBQESA-N 0 0 185.230 2.077 10 30 AEEERN C[C@@H](C#N)Sc1ccc(F)cc1N 43516638 168323491 /nfs/dbraw/zinc/32/34/91/168323491.db2.gz CMFIENPRUXBUPL-LURJTMIESA-N 0 0 196.250 2.412 10 30 AEEERN C[C@@H](C#N)Sc1ccc(O)cc1 48231409 168323495 /nfs/dbraw/zinc/32/34/95/168323495.db2.gz AZRNRURSXTYIFP-ZETCQYMHSA-N 0 0 179.244 2.396 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1cccs1 43514901 168323503 /nfs/dbraw/zinc/32/35/03/168323503.db2.gz BMACUEDWLAZYBO-JGVFFNPUSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@@H](C#N)Sc1ccc(N)cc1 43516582 168323557 /nfs/dbraw/zinc/32/35/57/168323557.db2.gz QJXGLISYYZIREC-ZETCQYMHSA-N 0 0 178.260 2.273 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCC[C@@H](C)C1 43514821 168323559 /nfs/dbraw/zinc/32/35/59/168323559.db2.gz MQNPCOJLHZQZKQ-UTLUCORTSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](C#N)NCc1ccc(Cl)cc1 20177479 168323562 /nfs/dbraw/zinc/32/35/62/168323562.db2.gz RNGZKCLQKXVHTF-QMMMGPOBSA-N 0 0 194.665 2.342 10 30 AEEERN C[C@@H](C#N)Oc1cccc(F)c1 47873905 168323566 /nfs/dbraw/zinc/32/35/66/168323566.db2.gz OQJHSXQLKRDXFP-ZETCQYMHSA-N 0 0 165.167 2.117 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCC[C@@H]1C 47826374 168323570 /nfs/dbraw/zinc/32/35/70/168323570.db2.gz BDXOAGLHWLHYCI-GUBZILKMSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1ccccc1 43513983 168323579 /nfs/dbraw/zinc/32/35/79/168323579.db2.gz GJCIYUBEISDBDK-UWVGGRQHSA-N 0 0 174.247 2.249 10 30 AEEERN C[C@@H](C#N)Oc1ccccc1[C@@H](C)O 43517277 168323583 /nfs/dbraw/zinc/32/35/83/168323583.db2.gz FGGLWBWSKYPAGN-DTWKUNHWSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1ccc(C#N)cc1 43515035 168323592 /nfs/dbraw/zinc/32/35/92/168323592.db2.gz XSYPZMDAXSORIP-UWVGGRQHSA-N 0 0 199.257 2.121 10 30 AEEERN C[C@@H](C#N)c1ccc2c(c1)OCO2 37245425 168323615 /nfs/dbraw/zinc/32/36/15/168323615.db2.gz ANDDRGVOLSKYMM-ZETCQYMHSA-N 0 0 175.187 2.042 10 30 AEEERN C[C@@H](C#N)Oc1cccc([C@H](C)O)c1 43517320 168323619 /nfs/dbraw/zinc/32/36/19/168323619.db2.gz NKFFLAZPYIWZPR-IUCAKERBSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](C#N)NCc1ccccc1Cl 20177475 168323624 /nfs/dbraw/zinc/32/36/24/168323624.db2.gz DDRKDWOUBSJXTA-QMMMGPOBSA-N 0 0 194.665 2.342 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCC[C@@H]1C 47826378 168323630 /nfs/dbraw/zinc/32/36/30/168323630.db2.gz BDXOAGLHWLHYCI-LPEHRKFASA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1ccc(C#N)cc1 43515037 168323640 /nfs/dbraw/zinc/32/36/40/168323640.db2.gz XSYPZMDAXSORIP-VHSXEESVSA-N 0 0 199.257 2.121 10 30 AEEERN C[C@@H](C#N)N[C@H](C)CCc1ccco1 43515562 168323658 /nfs/dbraw/zinc/32/36/58/168323658.db2.gz UEKDZZQLJSUWPJ-ZJUUUORDSA-N 0 0 192.262 2.102 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1ccccc1 34986053 168323663 /nfs/dbraw/zinc/32/36/63/168323663.db2.gz GJCIYUBEISDBDK-VHSXEESVSA-N 0 0 174.247 2.249 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCc2ccccc21 43514959 168323667 /nfs/dbraw/zinc/32/36/67/168323667.db2.gz UDDYZFRWLLDOIB-JOYOIKCWSA-N 0 0 186.258 2.176 10 30 AEEERN C[C@@H](C#N)Nc1cccc(F)c1 37937089 168323681 /nfs/dbraw/zinc/32/36/81/168323681.db2.gz KYKMHZNZSBKKGR-ZETCQYMHSA-N 0 0 164.183 2.150 10 30 AEEERN C[C@@H](C#N)Nc1ccc2c(c1)CCC2 43514325 168323693 /nfs/dbraw/zinc/32/36/93/168323693.db2.gz XDPMSWGWXXWIJV-VIFPVBQESA-N 0 0 186.258 2.499 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)CCc1ccco1 43515561 168323709 /nfs/dbraw/zinc/32/37/09/168323709.db2.gz UEKDZZQLJSUWPJ-UWVGGRQHSA-N 0 0 192.262 2.102 10 30 AEEERN C[C@@H](C#N)N[C@H]1C[C@@H]1c1ccccc1 44676631 168323720 /nfs/dbraw/zinc/32/37/20/168323720.db2.gz DDDYOAXDNRQGCX-WCQGTBRESA-N 0 0 186.258 2.044 10 30 AEEERN C[C@@H](C#N)Nc1ccccc1F 37853323 168323748 /nfs/dbraw/zinc/32/37/48/168323748.db2.gz PNLLOAOWPPGAQY-ZETCQYMHSA-N 0 0 164.183 2.150 10 30 AEEERN C[C@@H](C#N)Sc1ccc(N)cc1F 43516630 168323784 /nfs/dbraw/zinc/32/37/84/168323784.db2.gz RPVJPXNUTVHDRO-LURJTMIESA-N 0 0 196.250 2.412 10 30 AEEERN C[C@@H](C#N)Oc1ccc([C@H](C)O)cc1 43517243 168323793 /nfs/dbraw/zinc/32/37/93/168323793.db2.gz KFUBOOYQIOUATA-IUCAKERBSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](C#N)Nc1ccc(F)c(C#N)c1 51636339 168323801 /nfs/dbraw/zinc/32/38/01/168323801.db2.gz ZXLLCYGGRHECKZ-ZETCQYMHSA-N 0 0 189.193 2.021 10 30 AEEERN C[C@@H](C#N)Oc1ccc(F)c(F)c1 48484783 168323828 /nfs/dbraw/zinc/32/38/28/168323828.db2.gz YHIYGGJIEGDMQL-LURJTMIESA-N 0 0 183.157 2.256 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCC[C@@H](C)C1 43514823 168323831 /nfs/dbraw/zinc/32/38/31/168323831.db2.gz MQNPCOJLHZQZKQ-KXUCPTDWSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](C#N)Oc1ccc(N)cc1Cl 43513233 168323835 /nfs/dbraw/zinc/32/38/35/168323835.db2.gz JFVOZVVRTVYIKS-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C[C@@H](C#N)NCC1CCCCC1 43514827 168323838 /nfs/dbraw/zinc/32/38/38/168323838.db2.gz ZXYZJGOBNSYBGE-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN C[C@@H](C#N)NCCC1CCCCC1 43515021 168323842 /nfs/dbraw/zinc/32/38/42/168323842.db2.gz DGNFZVVDROSQAQ-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN C[C@@H](C#N)N[C@H](C)Cc1ccsc1 43515436 168323856 /nfs/dbraw/zinc/32/38/56/168323856.db2.gz XNVKFOSTZHLQBW-BDAKNGLRSA-N 0 0 194.303 2.181 10 30 AEEERN C[C@@H](C#N)c1cccc([N+](=O)[O-])c1 34143901 168323857 /nfs/dbraw/zinc/32/38/57/168323857.db2.gz RMIWZYGLHJJFRO-ZETCQYMHSA-N 0 0 176.175 2.222 10 30 AEEERN C[C@@H](C#N)Nc1cc(F)ccc1F 47826284 168323868 /nfs/dbraw/zinc/32/38/68/168323868.db2.gz VLWGMNWHYLRSLE-LURJTMIESA-N 0 0 182.173 2.289 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCc2ccccc21 43514961 168323887 /nfs/dbraw/zinc/32/38/87/168323887.db2.gz UDDYZFRWLLDOIB-CABZTGNLSA-N 0 0 186.258 2.176 10 30 AEEERN C[C@@H](C#N)Oc1ccc(Cl)cc1N 43513229 168323888 /nfs/dbraw/zinc/32/38/88/168323888.db2.gz COFQXLHXJIJOHL-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C[C@@H](C#N)Oc1ccccc1[C@H](C)O 43517281 168323891 /nfs/dbraw/zinc/32/38/91/168323891.db2.gz FGGLWBWSKYPAGN-IUCAKERBSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](C#N)c1ccc2[nH]cnc2c1 84443156 168323898 /nfs/dbraw/zinc/32/38/98/168323898.db2.gz ZZJGMBNQZNIETK-ZETCQYMHSA-N 0 0 171.203 2.190 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1ccc(F)cc1 43515483 168323901 /nfs/dbraw/zinc/32/39/01/168323901.db2.gz MAHTZJVXLSNQFQ-IUCAKERBSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@@H](C#N)NCc1cccc(Cl)c1 53155976 168323920 /nfs/dbraw/zinc/32/39/20/168323920.db2.gz PIIOTOASFROVSX-QMMMGPOBSA-N 0 0 194.665 2.342 10 30 AEEERN C[C@@H](C#N)N[C@H](C)Cc1ccccc1 62185748 168323940 /nfs/dbraw/zinc/32/39/40/168323940.db2.gz JRZVBUUNNBRCCY-MNOVXSKESA-N 0 0 188.274 2.119 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1cccs1 43514899 168323944 /nfs/dbraw/zinc/32/39/44/168323944.db2.gz BMACUEDWLAZYBO-YUMQZZPRSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@@H](C#N)Oc1ccc2c(c1)CCC2 11944419 168323959 /nfs/dbraw/zinc/32/39/59/168323959.db2.gz ARTNWVBIACATOH-VIFPVBQESA-N 0 0 187.242 2.466 10 30 AEEERN C[C@@H](C#N)Nc1cc(F)cc(F)c1 43514515 168323972 /nfs/dbraw/zinc/32/39/72/168323972.db2.gz IQWMSDFCJSJLMN-LURJTMIESA-N 0 0 182.173 2.289 10 30 AEEERN C[C@@H](C#N)Oc1ccc(F)cc1 11834583 168324003 /nfs/dbraw/zinc/32/40/03/168324003.db2.gz VXJAVQGIKWYAEE-ZETCQYMHSA-N 0 0 165.167 2.117 10 30 AEEERN C[C@@H](C#N)Nc1ccc(F)cc1F 43514465 168324015 /nfs/dbraw/zinc/32/40/15/168324015.db2.gz XCBVIJZUKAGSHB-LURJTMIESA-N 0 0 182.173 2.289 10 30 AEEERN C[C@@H](C#N)c1ccc(N(C)C)cc1 37902620 168324076 /nfs/dbraw/zinc/32/40/76/168324076.db2.gz NEEHCBWUVHZGHA-VIFPVBQESA-N 0 0 174.247 2.380 10 30 AEEERN C[C@@H](C#N)NCCC1=CCCCC1 20177421 168324082 /nfs/dbraw/zinc/32/40/82/168324082.db2.gz IRPYZPNXWLAQPR-JTQLQIEISA-N 0 0 178.279 2.379 10 30 AEEERN C[C@@H](C#N)Nc1ccc(F)c(F)c1 43514401 168324102 /nfs/dbraw/zinc/32/41/02/168324102.db2.gz OAAGIVOUPIVBKF-LURJTMIESA-N 0 0 182.173 2.289 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1ccc(F)cc1 43515485 168324104 /nfs/dbraw/zinc/32/41/04/168324104.db2.gz MAHTZJVXLSNQFQ-DTWKUNHWSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@@H](C#N)OCC1CCCCC1 52154148 168324140 /nfs/dbraw/zinc/32/41/40/168324140.db2.gz UXWSJURNYDPNDG-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN C[C@@H](C#N)Oc1ccc(N)c(Cl)c1 50471252 168324160 /nfs/dbraw/zinc/32/41/60/168324160.db2.gz QPWJYZNCHZWSBF-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C[C@@H](C#N)NCCCc1ccccc1 20177595 168324164 /nfs/dbraw/zinc/32/41/64/168324164.db2.gz IPPQQMNKEKBMRG-NSHDSACASA-N 0 0 188.274 2.121 10 30 AEEERN C[C@@H](C#N)[Si](C)(C)C 196009517 168324169 /nfs/dbraw/zinc/32/41/69/168324169.db2.gz WISPPBDNOQXVLN-LURJTMIESA-N 0 0 127.263 2.238 10 30 AEEERN C[C@@H](C#N)c1ccc(Cl)nc1 66319057 168324175 /nfs/dbraw/zinc/32/41/75/168324175.db2.gz HQRZFRSRCUTJSZ-LURJTMIESA-N 0 0 166.611 2.362 10 30 AEEERN C[C@@H](C#N)Oc1cc(Cl)ccc1N 51609451 168324209 /nfs/dbraw/zinc/32/42/09/168324209.db2.gz WNMFMRDISXZXPH-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)Cc1ccsc1 43515435 168324213 /nfs/dbraw/zinc/32/42/13/168324213.db2.gz XNVKFOSTZHLQBW-IUCAKERBSA-N 0 0 194.303 2.181 10 30 AEEERN C[C@@H](C#N)Oc1cccc(N(C)C)c1 11804929 168324240 /nfs/dbraw/zinc/32/42/40/168324240.db2.gz OPNLTANZADGANA-VIFPVBQESA-N 0 0 190.246 2.043 10 30 AEEERN C[C@@H](C#N)Sc1ccccc1O 50047092 168324250 /nfs/dbraw/zinc/32/42/50/168324250.db2.gz DWTSCEAOMHSMDO-ZETCQYMHSA-N 0 0 179.244 2.396 10 30 AEEERN C[C@@H](C#N)NC[C@@H]1CCCC[C@@H]1C 43515580 168324261 /nfs/dbraw/zinc/32/42/61/168324261.db2.gz TXJVLUBXRVUNKE-DCAQKATOSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)C1CCCCC1 52336649 168324277 /nfs/dbraw/zinc/32/42/77/168324277.db2.gz SQQUVSWZVOXDID-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H](C#N)Oc1ccc([C@@H](C)O)cc1 43517239 168324305 /nfs/dbraw/zinc/32/43/05/168324305.db2.gz KFUBOOYQIOUATA-DTWKUNHWSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@@H](C#N)[C@@H](C#N)c1ccccc1 75559832 168324324 /nfs/dbraw/zinc/32/43/24/168324324.db2.gz IRDHCWSSTIPWLX-GXSJLCMTSA-N 0 0 170.215 2.453 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1cccc(F)c1 43515506 168324337 /nfs/dbraw/zinc/32/43/37/168324337.db2.gz CGJRRUPPEYJVJH-IUCAKERBSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1ccccc1F 47826465 168324386 /nfs/dbraw/zinc/32/43/86/168324386.db2.gz JCKUACHAXNPFLY-DTWKUNHWSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@@H](C#N)NCCC1CCCC1 43515017 168324417 /nfs/dbraw/zinc/32/44/17/168324417.db2.gz KFOLBCQQRVNQMY-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN C[C@@H](C#N)N[C@H](C)C1CCCCC1 52336654 168324470 /nfs/dbraw/zinc/32/44/70/168324470.db2.gz SQQUVSWZVOXDID-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H](C#N)N[C@H](C)c1ccsc1 61362610 168324497 /nfs/dbraw/zinc/32/44/97/168324497.db2.gz DQPPGRLETOXWEI-JGVFFNPUSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)Cc1ccccc1 62185747 168324499 /nfs/dbraw/zinc/32/44/99/168324499.db2.gz JRZVBUUNNBRCCY-QWRGUYRKSA-N 0 0 188.274 2.119 10 30 AEEERN C[C@@H](C#N)Nc1ccc(N(C)C)cc1 43514947 168324512 /nfs/dbraw/zinc/32/45/12/168324512.db2.gz VNOAUHZNLYTLDU-VIFPVBQESA-N 0 0 189.262 2.077 10 30 AEEERN C[C@@H](C#N)Sc1ccccc1N 43516518 168324535 /nfs/dbraw/zinc/32/45/35/168324535.db2.gz TVUMBKFHNLDBDV-ZETCQYMHSA-N 0 0 178.260 2.273 10 30 AEEERN C[C@@H](C#N)Nc1cccc(F)c1F 43515225 168324585 /nfs/dbraw/zinc/32/45/85/168324585.db2.gz RYAYSBQXKSEHHP-LURJTMIESA-N 0 0 182.173 2.289 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1ccsc1 61362608 168324622 /nfs/dbraw/zinc/32/46/22/168324622.db2.gz DQPPGRLETOXWEI-YUMQZZPRSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)c1ccccc1F 47826462 168324625 /nfs/dbraw/zinc/32/46/25/168324625.db2.gz JCKUACHAXNPFLY-IUCAKERBSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@@H](C#N)n1cnc2ccccc21 38886636 168325202 /nfs/dbraw/zinc/32/52/02/168325202.db2.gz MOEQDZFWANRTHR-QMMMGPOBSA-N 0 0 171.203 2.121 10 30 AEEERN Cc1nsc(NC2(C)CC2)c1C#N 135573926 343965478 /nfs/dbraw/zinc/96/54/78/343965478.db2.gz DADCESXPROMZOK-UHFFFAOYSA-N 0 0 193.275 2.288 10 30 AEEERN C[C@@H](C#N)n1ncc2ccccc21 50525903 168325299 /nfs/dbraw/zinc/32/52/99/168325299.db2.gz YPDTYBFJBBDHNT-QMMMGPOBSA-N 0 0 171.203 2.121 10 30 AEEERN CC1(Nc2ccc(N)c(C#N)c2)CC1 135571455 343965479 /nfs/dbraw/zinc/96/54/79/343965479.db2.gz ISPKNXIRDCZQFN-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN C[C@@H](C#N)c1ccsc1 50340054 168325773 /nfs/dbraw/zinc/32/57/73/168325773.db2.gz NGQRJRQNZYNRSW-LURJTMIESA-N 0 0 137.207 2.375 10 30 AEEERN C[C@@H](C#N)c1nc2ccccc2[nH]1 95923493 168326084 /nfs/dbraw/zinc/32/60/84/168326084.db2.gz PNLMQWKZYYBDQY-ZETCQYMHSA-N 0 0 171.203 2.190 10 30 AEEERN C[C@@H](C=O)c1ccsc1 39234922 168330666 /nfs/dbraw/zinc/33/06/66/168330666.db2.gz YPWGRPBZJBMRBG-LURJTMIESA-N 0 0 140.207 2.051 10 30 AEEERN C[C@@H](C=NO)c1ccccc1 254715665 168330730 /nfs/dbraw/zinc/33/07/30/168330730.db2.gz SETWHVMVMWYJQA-QMMMGPOBSA-N 0 0 149.193 2.250 10 30 AEEERN C[C@@H](CC#N)C(=O)c1ccco1 49804781 168330790 /nfs/dbraw/zinc/33/07/90/168330790.db2.gz FHHYDCYDGJJWQP-ZETCQYMHSA-N 0 0 163.176 2.012 10 30 AEEERN C[C@@H](C=O)c1ccc(F)c(F)c1 36156222 168330861 /nfs/dbraw/zinc/33/08/61/168330861.db2.gz MWGVZBXMDIJEFI-LURJTMIESA-N 0 0 170.158 2.267 10 30 AEEERN C[C@@H](C=O)[C@H]1C=CCCC1 75526343 168330870 /nfs/dbraw/zinc/33/08/70/168330870.db2.gz QJXROLGREPJHIQ-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H](CC#N)C(=O)c1cccc(C#N)c1 48259033 168330883 /nfs/dbraw/zinc/33/08/83/168330883.db2.gz CKGWPIMAMRQRSX-VIFPVBQESA-N 0 0 198.225 2.291 10 30 AEEERN C[C@@H](CC#N)CO[C@H]1CCCCO1 33992264 168331005 /nfs/dbraw/zinc/33/10/05/168331005.db2.gz AZWSYGNSEHXDBG-UWVGGRQHSA-N 0 0 183.251 2.079 10 30 AEEERN CCN(c1cnccc1C#N)C(C)C 135591389 343966016 /nfs/dbraw/zinc/96/60/16/343966016.db2.gz RGGRBIOBRQHOEL-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN C[C@@H](C=O)CC[C@@H]1C=CCS1 75560438 168331051 /nfs/dbraw/zinc/33/10/51/168331051.db2.gz CUWFDGXLODPKMF-BDAKNGLRSA-N 0 0 170.277 2.273 10 30 AEEERN C[C@@H](C=O)Cc1cccs1 39207972 168331077 /nfs/dbraw/zinc/33/10/77/168331077.db2.gz RDKHZDTXSNYXJW-SSDOTTSWSA-N 0 0 154.234 2.126 10 30 AEEERN C[C@@H](CC#N)C(=O)Nc1ccccc1 49806252 168331234 /nfs/dbraw/zinc/33/12/34/168331234.db2.gz HTXUFFRSHQURIP-VIFPVBQESA-N 0 0 188.230 2.175 10 30 AEEERN C[C@@H](C=O)[C@@H](C)OCc1ccccc1 75580923 168331272 /nfs/dbraw/zinc/33/12/72/168331272.db2.gz VQQHSISYNCIVGD-WDEREUQCSA-N 0 0 192.258 2.427 10 30 AEEERN C[C@@H](CC#N)CO[C@@H]1CCCCO1 33992263 168331338 /nfs/dbraw/zinc/33/13/38/168331338.db2.gz AZWSYGNSEHXDBG-VHSXEESVSA-N 0 0 183.251 2.079 10 30 AEEERN C[C@@H](C=O)CC[C@H]1C=CCS1 75560449 168331389 /nfs/dbraw/zinc/33/13/89/168331389.db2.gz CUWFDGXLODPKMF-RKDXNWHRSA-N 0 0 170.277 2.273 10 30 AEEERN C[C@@H](CC#Cc1ccccc1)[C@@H](C)O 51814833 168331409 /nfs/dbraw/zinc/33/14/09/168331409.db2.gz BJQGBDVCSOALGU-NWDGAFQWSA-N 0 0 188.270 2.445 10 30 AEEERN C[C@@H](C=O)/C=C/c1ccco1 75538753 168331450 /nfs/dbraw/zinc/33/14/50/168331450.db2.gz JXQCSGSLZOZMDG-WTSVBCDHSA-N 0 0 150.177 2.128 10 30 AEEERN C[C@@H](C=O)c1cc(F)ccc1F 36156228 168331534 /nfs/dbraw/zinc/33/15/34/168331534.db2.gz OSJOKWWQXFGECC-LURJTMIESA-N 0 0 170.158 2.267 10 30 AEEERN C[C@@H](CC#N)C(=O)C1CCCC1 51690436 168331577 /nfs/dbraw/zinc/33/15/77/168331577.db2.gz WZIFSZGMAIAYJM-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](CC#N)C(=O)c1ccc(O)cc1 31994119 168331786 /nfs/dbraw/zinc/33/17/86/168331786.db2.gz RPKXBPYCUAXZKE-QMMMGPOBSA-N 0 0 189.214 2.125 10 30 AEEERN C[C@@H](C=O)c1ccc(N(C)C)cc1 75567838 168331800 /nfs/dbraw/zinc/33/18/00/168331800.db2.gz UFHQYFBMYLNESW-VIFPVBQESA-N 0 0 177.247 2.055 10 30 AEEERN C[C@@H](CC#N)CC(C)(C)C#N 17670037 168331914 /nfs/dbraw/zinc/33/19/14/168331914.db2.gz FTRQZXKIDLZWRS-QMMMGPOBSA-N 0 0 150.225 2.476 10 30 AEEERN C[C@@H](C=O)c1c[nH]c2ccccc12 34183950 168331966 /nfs/dbraw/zinc/33/19/66/168331966.db2.gz KAZDKCBXEUCJQS-QMMMGPOBSA-N 0 0 173.215 2.470 10 30 AEEERN C[C@@H](CC#N)C(=O)c1ccccc1 129218 168332058 /nfs/dbraw/zinc/33/20/58/168332058.db2.gz HXCPGRBCISMIQZ-VIFPVBQESA-N 0 0 173.215 2.419 10 30 AEEERN C[C@@H](C=O)Cc1ccsc1 75541771 168332083 /nfs/dbraw/zinc/33/20/83/168332083.db2.gz CCKLBEJOORARDV-SSDOTTSWSA-N 0 0 154.234 2.126 10 30 AEEERN C[C@@H](C=O)c1ccc2c(c1)CCC2 36156252 168332139 /nfs/dbraw/zinc/33/21/39/168332139.db2.gz QKPORMGGZLHELH-VIFPVBQESA-N 0 0 174.243 2.478 10 30 AEEERN C[C@@H](C=O)CSC(C)(C)C 34194608 168332272 /nfs/dbraw/zinc/33/22/72/168332272.db2.gz WKNQQZNBNKGQHS-ZETCQYMHSA-N 0 0 160.282 2.353 10 30 AEEERN C[C@@H](C=O)[C@@H]1C=CCCC1 75526349 168332274 /nfs/dbraw/zinc/33/22/74/168332274.db2.gz QJXROLGREPJHIQ-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H](C=O)CC(C)(C)C 34077694 168332337 /nfs/dbraw/zinc/33/23/37/168332337.db2.gz PJLOOIXLBYOPHW-SSDOTTSWSA-N 0 0 128.215 2.258 10 30 in-vitro AEEERN C[C@@H](CC#N)C(=O)c1cccs1 33426627 168332357 /nfs/dbraw/zinc/33/23/57/168332357.db2.gz KXJVQFGYHALNQZ-ZETCQYMHSA-N 0 0 179.244 2.481 10 30 AEEERN C[C@@H](C=O)C1=CCCCC1 34621623 168332385 /nfs/dbraw/zinc/33/23/85/168332385.db2.gz WYZGBHNEXQIMCZ-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H](CC#N)C(=O)c1cccc(O)c1 31994116 168332394 /nfs/dbraw/zinc/33/23/94/168332394.db2.gz KOXSOBUEGNICGY-QMMMGPOBSA-N 0 0 189.214 2.125 10 30 AEEERN C[C@@H](CC#N)C(=O)c1ccc(C#N)cc1 48258982 168332509 /nfs/dbraw/zinc/33/25/09/168332509.db2.gz WMEBMSNQVAQJKZ-VIFPVBQESA-N 0 0 198.225 2.291 10 30 AEEERN C[C@@H](CC#N)N(C)Cc1ccoc1 42448267 168332559 /nfs/dbraw/zinc/33/25/59/168332559.db2.gz CVVHFJJGTIXBHJ-VIFPVBQESA-N 0 0 178.235 2.014 10 30 AEEERN C[C@@H](CC#N)C(=O)c1ccccc1O 31990373 168332654 /nfs/dbraw/zinc/33/26/54/168332654.db2.gz FZPUSDFIIUTNRJ-QMMMGPOBSA-N 0 0 189.214 2.125 10 30 AEEERN C[C@@H](C=O)c1cn(C)c2ccccc12 75577784 168332719 /nfs/dbraw/zinc/33/27/19/168332719.db2.gz VDJHHCGXKBLFIY-VIFPVBQESA-N 0 0 187.242 2.481 10 30 AEEERN C[C@@H](CC#N)[C@H]1CCCC(=O)C1 75546885 168332920 /nfs/dbraw/zinc/33/29/20/168332920.db2.gz JZYPICFSEJRTEL-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](CC#N)NCc1ccccc1 37871095 168333069 /nfs/dbraw/zinc/33/30/69/168333069.db2.gz MDTVXRYDNXZXNZ-JTQLQIEISA-N 0 0 174.247 2.078 10 30 AEEERN C[C@@H](CC#N)Nc1ccc(CC#N)cc1 51601564 168333217 /nfs/dbraw/zinc/33/32/17/168333217.db2.gz XREPXDRTMNHBLV-JTQLQIEISA-N 0 0 199.257 2.467 10 30 AEEERN C[C@@H](CC#N)N[C@H](C)c1ccco1 37871463 168333400 /nfs/dbraw/zinc/33/34/00/168333400.db2.gz JXFLVPNMORIDPY-DTWKUNHWSA-N 0 0 178.235 2.232 10 30 AEEERN C[C@@H](CC#N)N1CCc2ccccc21 48246565 168333436 /nfs/dbraw/zinc/33/34/36/168333436.db2.gz RTSSPZGWSJQBRY-JTQLQIEISA-N 0 0 186.258 2.351 10 30 AEEERN C[C@@H](CC#N)Nc1ccccc1 32005979 168333555 /nfs/dbraw/zinc/33/35/55/168333555.db2.gz CBTPTSLASMSDEJ-VIFPVBQESA-N 0 0 160.220 2.401 10 30 AEEERN C[C@@H](CC#N)[C@@H]1CCCC(=O)C1 75546883 168333608 /nfs/dbraw/zinc/33/36/08/168333608.db2.gz JZYPICFSEJRTEL-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H](CC#N)[C@@H](O)c1ccccc1 38916261 168333686 /nfs/dbraw/zinc/33/36/86/168333686.db2.gz PCYWGIHZFXKGRN-GXSJLCMTSA-N 0 0 175.231 2.270 10 30 AEEERN C[C@@H](CC#N)Nc1ccc(C#N)cc1 37871255 168333829 /nfs/dbraw/zinc/33/38/29/168333829.db2.gz QGNAAGFNZUIICG-VIFPVBQESA-N 0 0 185.230 2.272 10 30 AEEERN C[C@@H](CC#N)Sc1ccccn1 48247691 168333905 /nfs/dbraw/zinc/33/39/05/168333905.db2.gz WXIMEYUQNFJXSO-QMMMGPOBSA-N 0 0 178.260 2.476 10 30 AEEERN C[C@@H](CC#N)[C@H](O)c1ccccc1F 49807011 168333939 /nfs/dbraw/zinc/33/39/39/168333939.db2.gz LIGNTBXENBJZJG-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](CC#N)Nc1ccccc1C#N 37871241 168333997 /nfs/dbraw/zinc/33/39/97/168333997.db2.gz DQMUCTMOQISNBH-VIFPVBQESA-N 0 0 185.230 2.272 10 30 AEEERN C[C@@H](CC#N)N[C@@H](C)c1ccco1 37871461 168334109 /nfs/dbraw/zinc/33/41/09/168334109.db2.gz JXFLVPNMORIDPY-IUCAKERBSA-N 0 0 178.235 2.232 10 30 AEEERN C[C@@H](CC#N)[C@@H](O)c1cccs1 49805719 168334115 /nfs/dbraw/zinc/33/41/15/168334115.db2.gz RAAWUJXKKNIUIR-IONNQARKSA-N 0 0 181.260 2.331 10 30 AEEERN C[C@@H](CC#N)[C@@H](O)c1ccccc1F 49807013 168334129 /nfs/dbraw/zinc/33/41/29/168334129.db2.gz LIGNTBXENBJZJG-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](CC#N)[C@H](O)c1cccs1 49805717 168334219 /nfs/dbraw/zinc/33/42/19/168334219.db2.gz RAAWUJXKKNIUIR-CBAPKCEASA-N 0 0 181.260 2.331 10 30 AEEERN C[C@@H](CC#N)[C@H](O)c1ccccc1 38916259 168334262 /nfs/dbraw/zinc/33/42/62/168334262.db2.gz PCYWGIHZFXKGRN-ONGXEEELSA-N 0 0 175.231 2.270 10 30 AEEERN C[C@@H](CC#N)[C@H](O)c1ccc(F)cc1 49807019 168334354 /nfs/dbraw/zinc/33/43/54/168334354.db2.gz PUOCLXFQJYPGRL-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](CC#N)c1ccncc1 39275173 168334450 /nfs/dbraw/zinc/33/44/50/168334450.db2.gz ZFVUKFAFDACVAN-QMMMGPOBSA-N 0 0 146.193 2.099 10 30 AEEERN C[C@@H](CC#N)NCc1cccs1 37871381 168334465 /nfs/dbraw/zinc/33/44/65/168334465.db2.gz COYQYPDHJRHTLH-QMMMGPOBSA-N 0 0 180.276 2.140 10 30 AEEERN C[C@@H](CC#N)[C@@H](O)c1ccc(F)cc1 49807021 168334547 /nfs/dbraw/zinc/33/45/47/168334547.db2.gz PUOCLXFQJYPGRL-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN C[C@@H](CC#N)c1ccccc1O 75544926 168334552 /nfs/dbraw/zinc/33/45/52/168334552.db2.gz CRKRCYHIAGRDNE-QMMMGPOBSA-N 0 0 161.204 2.409 10 30 AEEERN C[C@@H](CC#N)Nc1cccc(C#N)c1 37871243 168334561 /nfs/dbraw/zinc/33/45/61/168334561.db2.gz GUIYCFNADOUDKM-VIFPVBQESA-N 0 0 185.230 2.272 10 30 AEEERN C[C@@H](CC=O)C(C)(C)C 39338636 168334819 /nfs/dbraw/zinc/33/48/19/168334819.db2.gz LEBVLOLOVGHEFE-ZETCQYMHSA-N 0 0 128.215 2.258 10 30 AEEERN C/C=C/C1=CC(=O)CCC1 135688214 343966585 /nfs/dbraw/zinc/96/65/85/343966585.db2.gz DCXVEXOSXDDABX-DUXPYHPUSA-N 0 0 136.194 2.242 10 30 AEEERN C[C@@H](CC=O)c1cccs1 39207973 168337032 /nfs/dbraw/zinc/33/70/32/168337032.db2.gz ZCHVBOFKMHFJSQ-ZETCQYMHSA-N 0 0 154.234 2.441 10 30 AEEERN C[C@@H](CC=O)OCc1ccccc1 34618369 168337128 /nfs/dbraw/zinc/33/71/28/168337128.db2.gz GXDKPEQSONUTRE-JTQLQIEISA-N 0 0 178.231 2.181 10 30 AEEERN C[C@@H](CC=O)Cc1ccccc1 6020459 168338092 /nfs/dbraw/zinc/33/80/92/168338092.db2.gz GNQAZNILNLQRJV-JTQLQIEISA-N 0 0 162.232 2.454 10 30 AEEERN C[C@@H](CC=O)c1ccsc1 75541759 168338094 /nfs/dbraw/zinc/33/80/94/168338094.db2.gz JTUYEZAVXJDUOM-ZETCQYMHSA-N 0 0 154.234 2.441 10 30 AEEERN C[C@@H](CCc1ccco1)N[C@H](C)C#N 43515563 168340034 /nfs/dbraw/zinc/34/00/34/168340034.db2.gz UEKDZZQLJSUWPJ-VHSXEESVSA-N 0 0 192.262 2.102 10 30 AEEERN C[C@@H](Cc1ccccc1)N[C@H](C)C#N 62185751 168354578 /nfs/dbraw/zinc/35/45/78/168354578.db2.gz JRZVBUUNNBRCCY-WDEREUQCSA-N 0 0 188.274 2.119 10 30 AEEERN C[C@@H](Cc1ccsc1)N[C@H](C)C#N 43515437 168354983 /nfs/dbraw/zinc/35/49/83/168354983.db2.gz XNVKFOSTZHLQBW-DTWKUNHWSA-N 0 0 194.303 2.181 10 30 AEEERN C[C@@H](NCCC#N)c1ccc(F)cc1 20199615 168380450 /nfs/dbraw/zinc/38/04/50/168380450.db2.gz SYJXLTBKYPOOKF-SECBINFHSA-N 0 0 192.237 2.390 10 30 AEEERN C[C@@H](NCCC#N)c1cccc(F)c1 20199935 168380876 /nfs/dbraw/zinc/38/08/76/168380876.db2.gz LAZRYABFNIHKDU-SECBINFHSA-N 0 0 192.237 2.390 10 30 AEEERN C[C@@H](NCCC#N)c1cccs1 20199594 168381102 /nfs/dbraw/zinc/38/11/02/168381102.db2.gz IHMFADSIASSYEA-MRVPVSSYSA-N 0 0 180.276 2.312 10 30 AEEERN C[C@@H](NCCC#N)c1ccccc1F 20199607 168381634 /nfs/dbraw/zinc/38/16/34/168381634.db2.gz UQQINMOKKQIAGZ-SECBINFHSA-N 0 0 192.237 2.390 10 30 AEEERN C[C@@H](O)CC1=C2CCCC[C@@H]2CC1=O 39112392 168389313 /nfs/dbraw/zinc/38/93/13/168389313.db2.gz SPYHNQMKFMYDFB-RKDXNWHRSA-N 0 0 194.274 2.217 10 30 AEEERN C[C@@H](O)CC1(C#N)CCCCC1 39245000 168389348 /nfs/dbraw/zinc/38/93/48/168389348.db2.gz OLIOFZIIYOLRNG-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN C[C@@H](O)CC1=C2CCCC[C@H]2CC1=O 100277700 168389691 /nfs/dbraw/zinc/38/96/91/168389691.db2.gz SPYHNQMKFMYDFB-BDAKNGLRSA-N 0 0 194.274 2.217 10 30 AEEERN C[C@@H](O)CCC#C[Si](C)(C)C 169993690 168389962 /nfs/dbraw/zinc/38/99/62/168389962.db2.gz QVOGHEXKCYPJSS-SECBINFHSA-N 0 0 170.328 2.028 10 30 AEEERN C[C@@H](O)CC#CCc1ccccc1 14651966 168390216 /nfs/dbraw/zinc/39/02/16/168390216.db2.gz WWNYBNQWIHBNIE-LLVKDONJSA-N 0 0 174.243 2.003 10 30 in-vitro AEEERN C[C@@H](O)CCC#Cc1ccccc1 51814818 168390233 /nfs/dbraw/zinc/39/02/33/168390233.db2.gz DBRFWONAXCPHHP-LLVKDONJSA-N 0 0 174.243 2.199 10 30 AEEERN C[C@@H](O)[C@@H](C#N)c1ccc(Cl)cc1 21952461 168397176 /nfs/dbraw/zinc/39/71/76/168397176.db2.gz RBQZCTRUPQRJIW-GMSGAONNSA-N 0 0 195.649 2.328 10 30 AEEERN C[C@@H](O)[C@H](C#N)c1ccc(Cl)cc1 21952464 168398611 /nfs/dbraw/zinc/39/86/11/168398611.db2.gz RBQZCTRUPQRJIW-XCBNKYQSSA-N 0 0 195.649 2.328 10 30 AEEERN C[C@@H](O)[C@H](C)CC#Cc1ccccc1 51814834 168399491 /nfs/dbraw/zinc/39/94/91/168399491.db2.gz BJQGBDVCSOALGU-VXGBXAGGSA-N 0 0 188.270 2.445 10 30 AEEERN C[C@@H](c1ccccc1)[C@@H](O)CC#N 75565517 168403917 /nfs/dbraw/zinc/40/39/17/168403917.db2.gz KCNROOMSGXVFQX-ONGXEEELSA-N 0 0 175.231 2.065 10 30 AEEERN C[C@@H](c1ccccc1)N1CC[C@@H]1C#N 22015406 168404051 /nfs/dbraw/zinc/40/40/51/168404051.db2.gz CGSQUBOUEXDHKM-CMPLNLGQSA-N 0 0 186.258 2.345 10 30 AEEERN C[C@@H](c1ccccc1)[C@H](C#N)N(C)C 41046487 168404149 /nfs/dbraw/zinc/40/41/49/168404149.db2.gz UDNSCBXBPACMSV-JQWIXIFHSA-N 0 0 188.274 2.244 10 30 AEEERN C[C@@H]1CC(=NO)C[C@@H](C)C1 32153617 168410520 /nfs/dbraw/zinc/41/05/20/168410520.db2.gz BTZZWXZMJCHUFK-BQBZGAKWSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@](N)(C#N)C1 19273283 168411958 /nfs/dbraw/zinc/41/19/58/168411958.db2.gz JAOGIMZOIAAPFP-SCZZXKLOSA-N 0 0 166.268 2.054 10 30 AEEERN C[C@@H]1CC=CC[C@@H]1COCC#N 26515644 168413180 /nfs/dbraw/zinc/41/31/80/168413180.db2.gz XUFIZSFGQHSRKX-NXEZZACHSA-N 0 0 165.236 2.129 10 30 AEEERN C[C@@H]1CCC[C@@H]([C@@H]2CO2)C1 18879914 168424808 /nfs/dbraw/zinc/42/48/08/168424808.db2.gz ARZFNCSFLAAESI-HLTSFMKQSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCC[C@@H](OCC#N)C1 20515154 168425341 /nfs/dbraw/zinc/42/53/41/168425341.db2.gz AQSNYJGXULXUII-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(N(C)C)C1 37355099 168427525 /nfs/dbraw/zinc/42/75/25/168427525.db2.gz WCRORNVZQAPLAU-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CCC[C@](C)(CCC=O)C1=O 75576078 168427788 /nfs/dbraw/zinc/42/77/88/168427788.db2.gz LQZFNADSGVMIQG-MWLCHTKSSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@@H]1CCC[C@H](OCCC#N)C1 20515070 168428363 /nfs/dbraw/zinc/42/83/63/168428363.db2.gz BPWXCFNVCQYAMD-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@@H]1CCN(c2ccccc2C#N)C1 40724845 168434333 /nfs/dbraw/zinc/43/43/33/168434333.db2.gz CMFKBOIHSUVAQH-SNVBAGLBSA-N 0 0 186.258 2.404 10 30 AEEERN C[C@@H]1CC[C@@H](C#N)[C@H](SCCO)C1 36336096 168436909 /nfs/dbraw/zinc/43/69/09/168436909.db2.gz FBNCNDWIFUECEA-KXUCPTDWSA-N 0 0 199.319 2.040 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1ccnc(C#N)c1 306152599 168439972 /nfs/dbraw/zinc/43/99/72/168439972.db2.gz AHVDPLWQQLKUHN-KCJUWKMLSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@H](C#N)[C@H](SCCO)C1 36336094 168440295 /nfs/dbraw/zinc/44/02/95/168440295.db2.gz FBNCNDWIFUECEA-OPRDCNLKSA-N 0 0 199.319 2.040 10 30 AEEERN C[C@@H]1CC[C@H](CC=O)C(C)(C)O1 75560242 168440670 /nfs/dbraw/zinc/44/06/70/168440670.db2.gz GFCNYZMDVYRBEC-RKDXNWHRSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@H]1CC[C@H](C#N)[C@H](n2cccn2)C1 37147318 168441000 /nfs/dbraw/zinc/44/10/00/168441000.db2.gz ZPCXMYYDLWXLDM-GMTAPVOTSA-N 0 0 189.262 2.384 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1ccc(C#N)cn1 307727064 168441113 /nfs/dbraw/zinc/44/11/13/168441113.db2.gz CWQCORPAYYUURO-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1C[C@@H](CCC=O)C(C)(C)O1 75560224 168467425 /nfs/dbraw/zinc/46/74/25/168467425.db2.gz BGTJHOMDDJDDSX-RKDXNWHRSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1Nc1ccc(C#N)cc1 52292038 168471048 /nfs/dbraw/zinc/47/10/48/168471048.db2.gz TYDCPNRFVCYQRH-KCJUWKMLSA-N 0 0 172.231 2.379 10 30 AEEERN C[C@@H]1C[C@@H]2O[C@@]23CCCC[C@H]13 38804179 168471571 /nfs/dbraw/zinc/47/15/71/168471571.db2.gz WPTMFQNSDSHKSF-DOLQZWNJSA-N 0 0 152.237 2.354 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc(CC#N)o1 51952483 168471746 /nfs/dbraw/zinc/47/17/46/168471746.db2.gz AQSOHBUOBCKRBJ-APPZFPTMSA-N 0 0 161.204 2.469 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)c1ccccc1 76592375 168472878 /nfs/dbraw/zinc/47/28/78/168472878.db2.gz MONJODNFHURZOR-KOLCDFICSA-N 0 0 157.216 2.488 10 30 AEEERN C[C@@H]1C[C@H](C#N)Nc2ccccc2N1 1570177 168473787 /nfs/dbraw/zinc/47/37/87/168473787.db2.gz RNTHZAGFJUROMP-RKDXNWHRSA-N 0 0 187.246 2.195 10 30 AEEERN C[C@@H]1C[C@H](CCC=O)C(C)(C)O1 75560210 168474482 /nfs/dbraw/zinc/47/44/82/168474482.db2.gz BGTJHOMDDJDDSX-BDAKNGLRSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@@H]1C[C@H](OCC=O)CC(C)(C)C1 38636932 168475213 /nfs/dbraw/zinc/47/52/13/168475213.db2.gz ZLVIQMAJLGHJFG-ZJUUUORDSA-N 0 0 184.279 2.417 10 30 AEEERN C[C@@H]1Cc2ccccc2N1CCC#N 19485235 168481535 /nfs/dbraw/zinc/48/15/35/168481535.db2.gz YYONEJZTEUZZRC-SNVBAGLBSA-N 0 0 186.258 2.351 10 30 AEEERN C[C@@H]1O[C@@H]1/C=C/c1ccccc1 104836471 168489760 /nfs/dbraw/zinc/48/97/60/168489760.db2.gz BEKVROQMIYJDGN-PRXIFDQHSA-N 0 0 160.216 2.487 10 30 AEEERN C[C@@H]1S[C@H](C)CC[C@@H]1C=O 39063299 168491087 /nfs/dbraw/zinc/49/10/87/168491087.db2.gz QAFSNLCJBQWWEQ-GJMOJQLCSA-N 0 0 158.266 2.106 10 30 AEEERN C[C@@H]1S[C@H](C)CC[C@H]1C=O 39063303 168491358 /nfs/dbraw/zinc/49/13/58/168491358.db2.gz QAFSNLCJBQWWEQ-CSMHCCOUSA-N 0 0 158.266 2.106 10 30 AEEERN C[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@]1(C)C=O 36466240 168493713 /nfs/dbraw/zinc/49/37/13/168493713.db2.gz MWIMNADEOQZXBT-IMSYWVGJSA-N 0 0 150.221 2.034 10 30 AEEERN C[C@@]1(CC=O)C=CCCC1 75526315 168499125 /nfs/dbraw/zinc/49/91/25/168499125.db2.gz VCKDMPPDSAPZIU-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@]1(C=O)CC[C@@H](F)CC1 100136738 168499368 /nfs/dbraw/zinc/49/93/68/168499368.db2.gz RBMFTCCTOJSLSR-OCAPTIKFSA-N 0 0 144.189 2.104 10 30 AEEERN C[C@@]1(c2ccccc2)OCC[C@H]1C=O 33369655 168505147 /nfs/dbraw/zinc/50/51/47/168505147.db2.gz TZLSHVXBAYGNRY-RYUDHWBXSA-N 0 0 190.242 2.137 10 30 AEEERN C[C@@]12CC[C@H]3C[C@]1(C#N)OC[C@]32C 133689 168505764 /nfs/dbraw/zinc/50/57/64/168505764.db2.gz XBMWCUVXCWPUQN-ZRUFSTJUSA-N 0 0 177.247 2.105 10 30 AEEERN C[C@@]12CCCC[C@@]1(C=O)C(=O)CC2 75570152 168505779 /nfs/dbraw/zinc/50/57/79/168505779.db2.gz MKRJPPUJJARDRF-WDEREUQCSA-N 0 0 180.247 2.115 10 30 AEEERN C[C@H](C#N)CC[C@@H](C)C#N 34080219 168507356 /nfs/dbraw/zinc/50/73/56/168507356.db2.gz OJAINTHUXHKETM-OCAPTIKFSA-N 0 0 136.198 2.086 10 30 AEEERN C[C@H](C#N)C(=O)c1cc(F)cc(F)c1 36935135 168507692 /nfs/dbraw/zinc/50/76/92/168507692.db2.gz DSPHVDIJUISZEN-ZCFIWIBFSA-N 0 0 195.168 2.307 10 30 AEEERN C[C@H](C#N)C[C@H]1CCCC(=O)C1 75546881 168508800 /nfs/dbraw/zinc/50/88/00/168508800.db2.gz YOMQADFUCAGDSC-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H](C#N)C[C@@H](O)c1ccccc1F 49807017 168509198 /nfs/dbraw/zinc/50/91/98/168509198.db2.gz FSMVICFETGKESZ-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN C[C@H](C#N)N(C)Cc1ccccc1 44287205 168509736 /nfs/dbraw/zinc/50/97/36/168509736.db2.gz VYXNERPBALQJLA-SNVBAGLBSA-N 0 0 174.247 2.030 10 30 AEEERN C[C@H](C#N)C[C@@H]1CCCC(=O)C1 75546877 168509891 /nfs/dbraw/zinc/50/98/91/168509891.db2.gz YOMQADFUCAGDSC-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H](C#N)C[C@@H](O)c1ccc(F)cc1 49807025 168510214 /nfs/dbraw/zinc/51/02/14/168510214.db2.gz ABRLQRQULJDHOS-GZMMTYOYSA-N 0 0 193.221 2.409 10 30 AEEERN C[C@H](C#N)C[C@H](O)c1ccc(F)cc1 49807023 168510380 /nfs/dbraw/zinc/51/03/80/168510380.db2.gz ABRLQRQULJDHOS-KWQFWETISA-N 0 0 193.221 2.409 10 30 AEEERN C[C@H](C#N)Oc1ccc(N)cc1Cl 43513234 168510905 /nfs/dbraw/zinc/51/09/05/168510905.db2.gz JFVOZVVRTVYIKS-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN C[C@H](C#N)Sc1ccc(N)cc1 43516583 168510911 /nfs/dbraw/zinc/51/09/11/168510911.db2.gz QJXGLISYYZIREC-SSDOTTSWSA-N 0 0 178.260 2.273 10 30 AEEERN C[C@H](C#N)NCCC1CCCCC1 43515022 168511161 /nfs/dbraw/zinc/51/11/61/168511161.db2.gz DGNFZVVDROSQAQ-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN C[C@H](C#N)Oc1ccc2c(c1)CCC2 11944414 168511211 /nfs/dbraw/zinc/51/12/11/168511211.db2.gz ARTNWVBIACATOH-SECBINFHSA-N 0 0 187.242 2.466 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCc2ccccc21 43514960 168511213 /nfs/dbraw/zinc/51/12/13/168511213.db2.gz UDDYZFRWLLDOIB-BXKDBHETSA-N 0 0 186.258 2.176 10 30 AEEERN C[C@H](C#N)N(Cc1ccco1)C1CC1 43522390 168511401 /nfs/dbraw/zinc/51/14/01/168511401.db2.gz YUUZAIZDQRJNSR-SECBINFHSA-N 0 0 190.246 2.156 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1ccccc1F 47826467 168511451 /nfs/dbraw/zinc/51/14/51/168511451.db2.gz JCKUACHAXNPFLY-RKDXNWHRSA-N 0 0 192.237 2.388 10 30 AEEERN C[C@H](C#N)N[C@H](C)Cc1ccsc1 43515438 168511513 /nfs/dbraw/zinc/51/15/13/168511513.db2.gz XNVKFOSTZHLQBW-RKDXNWHRSA-N 0 0 194.303 2.181 10 30 AEEERN C[C@H](C#N)Oc1cccc(N(C)C)c1 11804928 168511602 /nfs/dbraw/zinc/51/16/02/168511602.db2.gz OPNLTANZADGANA-SECBINFHSA-N 0 0 190.246 2.043 10 30 AEEERN C[C@H](C#N)OCC1CCCCC1 52154150 168511721 /nfs/dbraw/zinc/51/17/21/168511721.db2.gz UXWSJURNYDPNDG-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H](C#N)Nc1ccc(CC#N)cc1 51601105 168511785 /nfs/dbraw/zinc/51/17/85/168511785.db2.gz GWBUTVIMUCVRFD-SECBINFHSA-N 0 0 185.230 2.077 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1ccsc1 61362611 168511937 /nfs/dbraw/zinc/51/19/37/168511937.db2.gz DQPPGRLETOXWEI-HTQZYQBOSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@H](C#N)NCc1cccc(Cl)c1 53155981 168512103 /nfs/dbraw/zinc/51/21/03/168512103.db2.gz PIIOTOASFROVSX-MRVPVSSYSA-N 0 0 194.665 2.342 10 30 AEEERN C[C@H](C#N)c1ccc(N(C)C)cc1 37902621 168512511 /nfs/dbraw/zinc/51/25/11/168512511.db2.gz NEEHCBWUVHZGHA-SECBINFHSA-N 0 0 174.247 2.380 10 30 AEEERN C[C@H](C#N)n1cnc2ccccc21 38886638 168512753 /nfs/dbraw/zinc/51/27/53/168512753.db2.gz MOEQDZFWANRTHR-MRVPVSSYSA-N 0 0 171.203 2.121 10 30 AEEERN C[C@H](C#N)c1ccc(Cl)nc1 66319059 168513107 /nfs/dbraw/zinc/51/31/07/168513107.db2.gz HQRZFRSRCUTJSZ-ZCFIWIBFSA-N 0 0 166.611 2.362 10 30 AEEERN C[C@H](C#N)c1ccc2c(c1)OCO2 37245427 168513577 /nfs/dbraw/zinc/51/35/77/168513577.db2.gz ANDDRGVOLSKYMM-SSDOTTSWSA-N 0 0 175.187 2.042 10 30 AEEERN C[C@H](C#N)[C@H](C#N)c1ccccc1 75559845 168513842 /nfs/dbraw/zinc/51/38/42/168513842.db2.gz IRDHCWSSTIPWLX-KOLCDFICSA-N 0 0 170.215 2.453 10 30 AEEERN C[C@H](C=O)CC(C)(C)C 34077693 168518351 /nfs/dbraw/zinc/51/83/51/168518351.db2.gz PJLOOIXLBYOPHW-ZETCQYMHSA-N 0 0 128.215 2.258 10 30 in-vitro AEEERN C[C@H](C=NO)c1ccccc1 254715664 168519446 /nfs/dbraw/zinc/51/94/46/168519446.db2.gz SETWHVMVMWYJQA-MRVPVSSYSA-N 0 0 149.193 2.250 10 30 AEEERN C[C@H](C=O)c1ccc(F)c(F)c1 36156223 168519453 /nfs/dbraw/zinc/51/94/53/168519453.db2.gz MWGVZBXMDIJEFI-ZCFIWIBFSA-N 0 0 170.158 2.267 10 30 AEEERN C[C@H](CC#N)Nc1ccc(CC#N)cc1 51601566 168520261 /nfs/dbraw/zinc/52/02/61/168520261.db2.gz XREPXDRTMNHBLV-SNVBAGLBSA-N 0 0 199.257 2.467 10 30 AEEERN C[C@H](CC#N)Nc1cccc(C#N)c1 37871244 168521041 /nfs/dbraw/zinc/52/10/41/168521041.db2.gz GUIYCFNADOUDKM-SECBINFHSA-N 0 0 185.230 2.272 10 30 AEEERN C[C@H](CC#N)NCc1ccccc1 37871096 168521388 /nfs/dbraw/zinc/52/13/88/168521388.db2.gz MDTVXRYDNXZXNZ-SNVBAGLBSA-N 0 0 174.247 2.078 10 30 AEEERN C[C@H](CC#N)[C@@H](O)c1ccccc1F 49807014 168521631 /nfs/dbraw/zinc/52/16/31/168521631.db2.gz LIGNTBXENBJZJG-LDYMZIIASA-N 0 0 193.221 2.409 10 30 AEEERN C[C@H](CC=O)Cc1ccccc1 6036190 168522068 /nfs/dbraw/zinc/52/20/68/168522068.db2.gz GNQAZNILNLQRJV-SNVBAGLBSA-N 0 0 162.232 2.454 10 30 AEEERN C[C@H](CC=O)OCc1ccccc1 34618371 168522144 /nfs/dbraw/zinc/52/21/44/168522144.db2.gz GXDKPEQSONUTRE-SNVBAGLBSA-N 0 0 178.231 2.181 10 30 AEEERN CCCCCCCC[C@@H]1O[C@H]1CO 136127573 343975344 /nfs/dbraw/zinc/97/53/44/343975344.db2.gz XTWFTQGRBSRDCS-QWRGUYRKSA-N 0 0 186.295 2.497 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1ccc(C#N)cc1 43515036 168568964 /nfs/dbraw/zinc/56/89/64/168568964.db2.gz XSYPZMDAXSORIP-ZJUUUORDSA-N 0 0 199.257 2.121 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1cccs1 43514900 168570472 /nfs/dbraw/zinc/57/04/72/168570472.db2.gz BMACUEDWLAZYBO-SFYZADRCSA-N 0 0 180.276 2.311 10 30 AEEERN C[C@H](N[C@H](C)CC#N)c1ccco1 37871462 168571871 /nfs/dbraw/zinc/57/18/71/168571871.db2.gz JXFLVPNMORIDPY-BDAKNGLRSA-N 0 0 178.235 2.232 10 30 AEEERN C[C@H](O)CC1=C2CCCC[C@H]2CC1=O 100277694 168574007 /nfs/dbraw/zinc/57/40/07/168574007.db2.gz SPYHNQMKFMYDFB-IUCAKERBSA-N 0 0 194.274 2.217 10 30 AEEERN C[C@H](O)[C@@H](C#N)c1ccc(Cl)cc1 21952462 168583409 /nfs/dbraw/zinc/58/34/09/168583409.db2.gz RBQZCTRUPQRJIW-OIBJUYFYSA-N 0 0 195.649 2.328 10 30 AEEERN C[C@H](O)[C@@H](C)CC#Cc1ccccc1 51814835 168583557 /nfs/dbraw/zinc/58/35/57/168583557.db2.gz BJQGBDVCSOALGU-RYUDHWBXSA-N 0 0 188.270 2.445 10 30 AEEERN C[C@H](O)c1ccc(O[C@H](C)C#N)cc1 43517246 168586203 /nfs/dbraw/zinc/58/62/03/168586203.db2.gz KFUBOOYQIOUATA-BDAKNGLRSA-N 0 0 191.230 2.031 10 30 AEEERN C[C@H](OC[C@H]1CO1)c1ccccc1 19441269 168588380 /nfs/dbraw/zinc/58/83/80/168588380.db2.gz VAIYKSYOQWKMNG-ONGXEEELSA-N 0 0 178.231 2.163 10 30 AEEERN C[C@H](S[C@H](C)[C@H](C)O)[C@@H](C)S 5298936 168590182 /nfs/dbraw/zinc/59/01/82/168590182.db2.gz PHLKBLKTWMSFGF-OSMVPFSASA-N 0 0 194.365 2.196 10 30 endogenous,in-man AEEERN C[C@H](S[C@H](C)[C@@H](C)O)[C@@H](C)S 5298988 168590208 /nfs/dbraw/zinc/59/02/08/168590208.db2.gz PHLKBLKTWMSFGF-XUTVFYLZSA-N 0 0 194.365 2.196 10 30 endogenous,in-man AEEERN C[C@H]1C=CCC[C@@]1(C)C=O 33650168 168592228 /nfs/dbraw/zinc/59/22/28/168592228.db2.gz CYGGTUUCLIFNIU-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H]1CCC(=O)[C@H](CCC#N)C1 75546812 168596333 /nfs/dbraw/zinc/59/63/33/168596333.db2.gz KPFMHFPNGDMPNN-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CCCC[C@]1(C#N)NCC1CC1 37946737 168603629 /nfs/dbraw/zinc/60/36/29/168603629.db2.gz WOCLWRUPMVWAQX-CMPLNLGQSA-N 0 0 192.306 2.458 10 30 AEEERN C[C@H]1CCC[C@@H](C)[C@@H]1C=O 100208428 168607686 /nfs/dbraw/zinc/60/76/86/168607686.db2.gz XXGMGNSKVTYPDN-BRPSZJMVSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1CCC[C@@H](OCC#N)C1 20515158 168610003 /nfs/dbraw/zinc/61/00/03/168610003.db2.gz AQSNYJGXULXUII-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H]1CCC[C@@H](OCCC#N)C1 20515066 168610339 /nfs/dbraw/zinc/61/03/39/168610339.db2.gz BPWXCFNVCQYAMD-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CCC[C@H](OCCC#N)C1 20515074 168613502 /nfs/dbraw/zinc/61/35/02/168613502.db2.gz BPWXCFNVCQYAMD-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1CC[C@](C)(C#N)C1 75520831 168626811 /nfs/dbraw/zinc/62/68/11/168626811.db2.gz NWXQRTZPLJMUAB-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@H]1C[C@@H]1c1ccc(CC#N)o1 51952484 168656556 /nfs/dbraw/zinc/65/65/56/168656556.db2.gz AQSOHBUOBCKRBJ-CBAPKCEASA-N 0 0 161.204 2.469 10 30 AEEERN C[C@H]1C[C@H](CCC=O)C(C)(C)O1 75560218 168660065 /nfs/dbraw/zinc/66/00/65/168660065.db2.gz BGTJHOMDDJDDSX-IUCAKERBSA-N 0 0 170.252 2.169 10 30 AEEERN C[C@H]1C[C@H]1C(=O)C1=CCCC1 50325106 168662434 /nfs/dbraw/zinc/66/24/34/168662434.db2.gz SEVFSYBWACXFII-IONNQARKSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H]1C[C@H]1Nc1ccccc1C#N 52292036 168664463 /nfs/dbraw/zinc/66/44/63/168664463.db2.gz DDPKXUPBMCXQDD-GZMMTYOYSA-N 0 0 172.231 2.379 10 30 AEEERN C[C@H]1Cc2ncc(C#N)cc2C[C@H]1C 49806108 168667436 /nfs/dbraw/zinc/66/74/36/168667436.db2.gz RLDNPYQZWYEXKF-BDAKNGLRSA-N 0 0 186.258 2.324 10 30 AEEERN C[C@H]1Cc2cccc(CC#N)c2N1 256005335 168667565 /nfs/dbraw/zinc/66/75/65/168667565.db2.gz UUZMNBPLQFYUFA-QMMMGPOBSA-N 0 0 172.231 2.109 10 30 AEEERN C[C@H]1O[C@@H]1c1cccs1 41062107 168673608 /nfs/dbraw/zinc/67/36/08/168673608.db2.gz HOMVQVUALHUONC-VDTYLAMSSA-N 0 0 140.207 2.208 10 30 AEEERN C[C@H]1[C@H](C=O)CC=CC12CC2 39061963 168677112 /nfs/dbraw/zinc/67/71/12/168677112.db2.gz WCUWUKOBGOQUAX-IUCAKERBSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@](C#N)(c1ccco1)N1CCCC1 58521266 168680019 /nfs/dbraw/zinc/68/00/19/168680019.db2.gz RQPQHRZGRNWYEV-NSHDSACASA-N 0 0 190.246 2.114 10 30 AEEERN C[C@](N)(C#N)c1ccc(F)c(Cl)c1 20078519 168680620 /nfs/dbraw/zinc/68/06/20/168680620.db2.gz ALPQYBGWFHXFFC-VIFPVBQESA-N 0 0 198.628 2.177 10 30 AEEERN C[C@](N)(C#N)CSc1cccs1 45216675 168681231 /nfs/dbraw/zinc/68/12/31/168681231.db2.gz VXILYUILEKQLMY-QMMMGPOBSA-N 0 0 198.316 2.081 10 30 AEEERN C[C@]1(C=O)CCc2ccccc2C1=O 75578541 168686101 /nfs/dbraw/zinc/68/61/01/168686101.db2.gz RBHDXGKTFJMEPO-GFCCVEGCSA-N 0 0 188.226 2.021 10 30 AEEERN C[C@]1(CC=O)C=CCCC1 75526319 168686242 /nfs/dbraw/zinc/68/62/42/168686242.db2.gz VCKDMPPDSAPZIU-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN C[C@]1(C=O)C[C@H]2C=C[C@@H]1CC2 39061954 168686719 /nfs/dbraw/zinc/68/67/19/168686719.db2.gz CKRQZBVTOBNMOI-IVZWLZJFSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@]1(CC#N)COc2ccccc21 75563484 168686838 /nfs/dbraw/zinc/68/68/38/168686838.db2.gz KFLJBMMMJIFDAO-NSHDSACASA-N 0 0 173.215 2.250 10 30 AEEERN C[C@]1(N=O)C(=O)C=Cc2ccccc21 62719598 168688008 /nfs/dbraw/zinc/68/80/08/168688008.db2.gz SYRCVAIQYVPHCK-LLVKDONJSA-N 0 0 187.198 2.264 10 30 AEEERN C[C@]1(c2ccccc2)OCC[C@@H]1C=O 33369654 168689119 /nfs/dbraw/zinc/68/91/19/168689119.db2.gz TZLSHVXBAYGNRY-VXGBXAGGSA-N 0 0 190.242 2.137 10 30 AEEERN C[C@]12C=CC(=O)C[C@@H]1CCC2 32134589 168690677 /nfs/dbraw/zinc/69/06/77/168690677.db2.gz VTVAOEWVSQITMX-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@]12CCCC[C@@]1(C=O)C(=O)CC2 75570153 168690968 /nfs/dbraw/zinc/69/09/68/168690968.db2.gz MKRJPPUJJARDRF-GHMZBOCLSA-N 0 0 180.247 2.115 10 30 AEEERN C[C@]12CC=C[C@@]1(C)[C@H](C#N)CC2=O 6253898 168691464 /nfs/dbraw/zinc/69/14/64/168691464.db2.gz RWEQJNSQIPMNQY-INTQDDNPSA-N 0 0 175.231 2.071 10 30 AEEERN C[C@]12CCCC[C@]1(C=O)C(=O)CC2 75570145 168691472 /nfs/dbraw/zinc/69/14/72/168691472.db2.gz MKRJPPUJJARDRF-MNOVXSKESA-N 0 0 180.247 2.115 10 30 AEEERN Cc1[nH]c2ccc(F)cc2c1C#N 19724790 168699046 /nfs/dbraw/zinc/69/90/46/168699046.db2.gz JDCJRWSNKOKXFI-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1[nH]c2ncc(F)cc2c1CC#N 95937208 168701316 /nfs/dbraw/zinc/70/13/16/168701316.db2.gz ITYNGXXXGFNZPN-UHFFFAOYSA-N 0 0 189.193 2.077 10 30 AEEERN Cc1c(C#N)cnc2ccccc12 39240380 168705477 /nfs/dbraw/zinc/70/54/77/168705477.db2.gz LSOYEGOKGZKPCL-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1c(C#N)ccc2c1O[C@H](C)C2 104458821 168705567 /nfs/dbraw/zinc/70/55/67/168705567.db2.gz GZUHZVBWABPJJC-SSDOTTSWSA-N 0 0 173.215 2.190 10 30 AEEERN Cc1c(C#N)cnc(C(C)C)c1C#N 337865 168706231 /nfs/dbraw/zinc/70/62/31/168706231.db2.gz PFUFHISMWVLMMN-UHFFFAOYSA-N 0 0 185.230 2.257 10 30 AEEERN Cc1c(C#N)c(N)n(C2CCC2)c1C 52212897 168706369 /nfs/dbraw/zinc/70/63/69/168706369.db2.gz RLOUQMVHDDJYRF-UHFFFAOYSA-N 0 0 189.262 2.284 10 30 AEEERN Cc1c(CC#N)cccc1CC#N 44368848 168708833 /nfs/dbraw/zinc/70/88/33/168708833.db2.gz CLUAWODMTKHVIK-UHFFFAOYSA-N 0 0 170.215 2.127 10 30 AEEERN Cc1c(F)ccc(CCC=O)c1F 95938084 168713058 /nfs/dbraw/zinc/71/30/58/168713058.db2.gz VUSNHZJBQUSJPQ-UHFFFAOYSA-N 0 0 184.185 2.405 10 30 AEEERN Cc1c(N)cccc1OCCCC#N 35283161 168714129 /nfs/dbraw/zinc/71/41/29/168714129.db2.gz ASAAKSNOSWPAJB-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN Cc1cc(-c2ccccc2)nc(C#N)n1 75597952 168724063 /nfs/dbraw/zinc/72/40/63/168724063.db2.gz PPMRRWQUZRBGQX-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1cc(C#N)cc2cccnc12 82768576 168730624 /nfs/dbraw/zinc/73/06/24/168730624.db2.gz PELBMSJXXSBHFI-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1cc(C#N)ccc1OC1CC1 95736058 168730640 /nfs/dbraw/zinc/73/06/40/168730640.db2.gz AOWHNTIVDAKNBY-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN Cc1cc(C)c(OC[C@H]2CO2)c(C)c1 1649074 168740327 /nfs/dbraw/zinc/74/03/27/168740327.db2.gz VSLBTETWJICFKD-LLVKDONJSA-N 0 0 192.258 2.389 10 30 AEEERN Cc1cc(C)cc(CCC=O)c1 60710470 168744378 /nfs/dbraw/zinc/74/43/78/168744378.db2.gz FKWSZJVGBVPUKV-UHFFFAOYSA-N 0 0 162.232 2.435 10 30 AEEERN Cc1cc(C)cc([C@H](C#N)N(C)C)c1 43395069 168745167 /nfs/dbraw/zinc/74/51/67/168745167.db2.gz FTABISGDXGIHPM-LBPRGKRZSA-N 0 0 188.274 2.430 10 30 AEEERN Cc1cc(C)n([C@H]2CCC[C@H]2C#N)n1 37147477 168748220 /nfs/dbraw/zinc/74/82/20/168748220.db2.gz NJRQDXTVOGZPLK-QWRGUYRKSA-N 0 0 189.262 2.365 10 30 AEEERN Cc1cc(C2=CC(=O)CC2)c(C)[nH]1 77265774 168748251 /nfs/dbraw/zinc/74/82/51/168748251.db2.gz QWDNVOWRTPWVPH-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN Cc1cc(C2=CC(=O)CC2)c(C)n1C 77274608 168748388 /nfs/dbraw/zinc/74/83/88/168748388.db2.gz CZQNRANSVDRIJQ-UHFFFAOYSA-N 0 0 189.258 2.388 10 30 AEEERN Cc1cc(CCC#N)c(C)n1C 82587578 168752459 /nfs/dbraw/zinc/75/24/59/168752459.db2.gz PVELDGUTXHORNS-UHFFFAOYSA-N 0 0 162.236 2.098 10 30 AEEERN Cc1cc(CCCC#N)c(C)n1C 82587828 168752717 /nfs/dbraw/zinc/75/27/17/168752717.db2.gz LZOMULBPCWGCQB-UHFFFAOYSA-N 0 0 176.263 2.488 10 30 AEEERN Cc1cc(CS)cs1 20515421 168758193 /nfs/dbraw/zinc/75/81/93/168758193.db2.gz KNFKDBWSFIGTIT-UHFFFAOYSA-N 0 0 144.264 2.486 10 30 AEEERN Cc1cc(Cl)cc(CC#N)n1 95751513 168759144 /nfs/dbraw/zinc/75/91/44/168759144.db2.gz RXZLFPJWDQZFAP-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1cc(F)c(F)cc1CC#N 44369939 168760643 /nfs/dbraw/zinc/76/06/43/168760643.db2.gz OACBQQSWPJNNQA-UHFFFAOYSA-N 0 0 167.158 2.339 10 30 AEEERN Cc1cc(N)ccc1CCC#N 83255045 168766857 /nfs/dbraw/zinc/76/68/57/168766857.db2.gz LYRANAYWQGUFCP-UHFFFAOYSA-N 0 0 160.220 2.033 10 30 AEEERN Cc1cc(N[C@@H]2C[C@@H]2C)c(C#N)cn1 307229902 168770862 /nfs/dbraw/zinc/77/08/62/168770862.db2.gz AKUWTMDPXRCYIT-OIBJUYFYSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(N[C@H]2C[C@@H]2C)c(C#N)cn1 307229911 168772236 /nfs/dbraw/zinc/77/22/36/168772236.db2.gz AKUWTMDPXRCYIT-XVKPBYJWSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(N[C@H]2C[C@H]2C)cc(C#N)n1 306331913 168773261 /nfs/dbraw/zinc/77/32/61/168773261.db2.gz QEDDFCWTYUKRJH-HQJQHLMTSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(OCCCC#N)ccc1N 19403554 168776505 /nfs/dbraw/zinc/77/65/05/168776505.db2.gz VYHHLXKNEGGRSD-UHFFFAOYSA-N 0 0 190.246 2.260 10 30 AEEERN Cc1cc([C@@H](C)C=O)ccc1F 32006361 168777462 /nfs/dbraw/zinc/77/74/62/168777462.db2.gz HYEDSJVAXUUFKA-QMMMGPOBSA-N 0 0 166.195 2.437 10 30 AEEERN Cc1cc([C@@H](C)NCCC#N)c(C)o1 26516472 168778337 /nfs/dbraw/zinc/77/83/37/168778337.db2.gz PLXWNFGNYPFAAV-SECBINFHSA-N 0 0 192.262 2.461 10 30 AEEERN Cc1cc(SCC=O)ccc1F 19686081 168778488 /nfs/dbraw/zinc/77/84/88/168778488.db2.gz JUUQTOPNTGWLAR-UHFFFAOYSA-N 0 0 184.235 2.425 10 30 AEEERN Cc1cc([C@H](C)C=O)ccc1F 32006364 168782009 /nfs/dbraw/zinc/78/20/09/168782009.db2.gz HYEDSJVAXUUFKA-MRVPVSSYSA-N 0 0 166.195 2.437 10 30 AEEERN Cc1cc([C@H](O)CCC#N)ccc1F 41206161 168782807 /nfs/dbraw/zinc/78/28/07/168782807.db2.gz ZNIPVRLFFAXCOV-LLVKDONJSA-N 0 0 193.221 2.471 10 30 AEEERN Cc1cc([C@]2(C)CO2)ccc1F 19729139 168783767 /nfs/dbraw/zinc/78/37/67/168783767.db2.gz QDZZJJJWHUVKNX-JTQLQIEISA-N 0 0 166.195 2.380 10 30 AEEERN Cc1cc2c(C)ncnc2c(C#N)c1C 27859411 168784904 /nfs/dbraw/zinc/78/49/04/168784904.db2.gz BJTNREWDYHOWDY-UHFFFAOYSA-N 0 0 197.241 2.427 10 30 AEEERN Cc1cc2c(C#N)cccc2cn1 82768435 168785025 /nfs/dbraw/zinc/78/50/25/168785025.db2.gz KHIMZDNEBOYAJF-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1cc2c(N)c(C#N)cnc2s1 75579237 168786668 /nfs/dbraw/zinc/78/66/68/168786668.db2.gz NRBXPNWIVMFQIC-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN Cc1cc2cc(F)c(C#N)cc2[nH]1 83272227 168788897 /nfs/dbraw/zinc/78/88/97/168788897.db2.gz FENUEYOFZMXQEM-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN Cc1ccc(-c2cc(C#N)n[nH]2)cc1 32007653 168792849 /nfs/dbraw/zinc/79/28/49/168792849.db2.gz OTPCDBYIWYTLOH-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN Cc1ccc(-c2ccc(C#N)c(N)n2)o1 50871213 168793029 /nfs/dbraw/zinc/79/30/29/168793029.db2.gz DLIHMWDLBCUVHY-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN Cc1ccc(-c2n[nH]cc2C#N)cc1 19046109 168795423 /nfs/dbraw/zinc/79/54/23/168795423.db2.gz JNTCLJZZPFLPLG-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN Cc1ccc(C(=O)C2=CCCO2)cc1 39168754 168798001 /nfs/dbraw/zinc/79/80/01/168798001.db2.gz WOJFQNJKKVTTLN-UHFFFAOYSA-N 0 0 188.226 2.482 10 30 AEEERN Cc1ccc(C(=O)CCS)cc1 58519704 168798957 /nfs/dbraw/zinc/79/89/57/168798957.db2.gz ZNFUVZQEVUCNSZ-UHFFFAOYSA-N 0 0 180.272 2.498 10 30 AEEERN Cc1ccc(C(=O)[C@H](C)C#N)s1 34975771 168802002 /nfs/dbraw/zinc/80/20/02/168802002.db2.gz DHCDJMFKNAAYFK-ZCFIWIBFSA-N 0 0 179.244 2.399 10 30 AEEERN Cc1ccc(C)c([C@@H](C#N)C=O)c1 49805095 168805427 /nfs/dbraw/zinc/80/54/27/168805427.db2.gz BMIVAYKENPAXLG-JTQLQIEISA-N 0 0 173.215 2.110 10 30 AEEERN Cc1ccc(C2(C=O)CC2)cc1 20418050 168808556 /nfs/dbraw/zinc/80/85/56/168808556.db2.gz QJPPPNCRCSYEAA-UHFFFAOYSA-N 0 0 160.216 2.226 10 30 AEEERN Cc1ccc(CC(=O)CC#N)cc1 41198650 168809518 /nfs/dbraw/zinc/80/95/18/168809518.db2.gz UMLRWKNZKVMVGZ-UHFFFAOYSA-N 0 0 173.215 2.020 10 30 AEEERN Cc1ccc(CN(C)[C@H](C)C#N)cc1 44287260 168810945 /nfs/dbraw/zinc/81/09/45/168810945.db2.gz CBEVDFGHXFHYQG-LLVKDONJSA-N 0 0 188.274 2.339 10 30 AEEERN Cc1ccc(CC[C@@H]2CO2)cc1 6070853 168811955 /nfs/dbraw/zinc/81/19/55/168811955.db2.gz CLHBSQBGFQJMKB-LLVKDONJSA-N 0 0 162.232 2.326 10 30 AEEERN Cc1ccc(CN[C@@H](C)C#N)s1 50225489 168813934 /nfs/dbraw/zinc/81/39/34/168813934.db2.gz UHBFYKYYLRFHPW-ZETCQYMHSA-N 0 0 180.276 2.058 10 30 AEEERN Cc1ccc(C[C@](C)(C#N)CO)cc1 58520938 168817277 /nfs/dbraw/zinc/81/72/77/168817277.db2.gz BRADURXLHTYGAL-GFCCVEGCSA-N 0 0 189.258 2.060 10 30 AEEERN Cc1ccc(Cl)c(OCC=O)c1 6070638 168817844 /nfs/dbraw/zinc/81/78/44/168817844.db2.gz HRZBGLVZKXZXLQ-UHFFFAOYSA-N 0 0 184.622 2.226 10 30 AEEERN Cc1ccc(F)cc1N[C@@H](C)C#N 47826296 168820496 /nfs/dbraw/zinc/82/04/96/168820496.db2.gz LKPLEEPBIUQJDL-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1ccc(NC(=O)CCC#N)cc1 49806250 168823410 /nfs/dbraw/zinc/82/34/10/168823410.db2.gz DPFYDMJJQFMJSN-UHFFFAOYSA-N 0 0 188.230 2.237 10 30 AEEERN Cc1ccc(N=C2C=CC(=O)O2)cc1 255973358 168824378 /nfs/dbraw/zinc/82/43/78/168824378.db2.gz GBAKEEOVDSMQQB-UHFFFAOYSA-N 0 0 187.198 2.138 10 30 AEEERN Cc1ccc(NCC#N)cc1F 20053807 168825977 /nfs/dbraw/zinc/82/59/77/168825977.db2.gz JPWBKFJZWMJCJU-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN Cc1ccc(N[C@H]2C[C@H]2C)nc1C#N 307683663 168826966 /nfs/dbraw/zinc/82/69/66/168826966.db2.gz UUEBYJMTJNIXQM-BDAKNGLRSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1ccc(N[C@H](C)C#N)cc1 37935624 168827114 /nfs/dbraw/zinc/82/71/14/168827114.db2.gz BLCOSAHBLYPSRC-SECBINFHSA-N 0 0 160.220 2.319 10 30 AEEERN Cc1ccc(N[C@@H]2C[C@H]2C)nc1C#N 306790012 168827290 /nfs/dbraw/zinc/82/72/90/168827290.db2.gz UUEBYJMTJNIXQM-RKDXNWHRSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1ccc(N[C@H](C)C#N)c(F)c1 43514704 168827837 /nfs/dbraw/zinc/82/78/37/168827837.db2.gz SMKALHUMPLKTPU-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1ccc(OC2CC2)c(C#N)c1 95734968 168829989 /nfs/dbraw/zinc/82/99/89/168829989.db2.gz WRDSZHPRTJNXJG-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN Cc1ccc(OC[C@H]2C[C@@H]2C=O)cc1 238486463 168831438 /nfs/dbraw/zinc/83/14/38/168831438.db2.gz FFVFNFKUZALGHG-GHMZBOCLSA-N 0 0 190.242 2.209 10 30 AEEERN Cc1ccc(OCCS)cc1 19435895 168831471 /nfs/dbraw/zinc/83/14/71/168831471.db2.gz XFNDWRVAVCFVLQ-UHFFFAOYSA-N 0 0 168.261 2.304 10 30 AEEERN Cc1ccc(O[C@H](C)C#N)cc1 11834466 168831692 /nfs/dbraw/zinc/83/16/92/168831692.db2.gz ORLUSUHPHRJTTH-SECBINFHSA-N 0 0 161.204 2.286 10 30 AEEERN Cc1ccc(O[C@@H](C)C#N)cc1 11834468 168831721 /nfs/dbraw/zinc/83/17/21/168831721.db2.gz ORLUSUHPHRJTTH-VIFPVBQESA-N 0 0 161.204 2.286 10 30 AEEERN Cc1ccc([C@@H](C#N)NC2CC2)cc1 19987997 168833249 /nfs/dbraw/zinc/83/32/49/168833249.db2.gz QTVWVZFSPQBIBW-GFCCVEGCSA-N 0 0 186.258 2.312 10 30 AEEERN Cc1ccc([C@@H](C#N)C=O)c(C)c1 49805097 168833960 /nfs/dbraw/zinc/83/39/60/168833960.db2.gz DGXKCWPTQBHUIP-JTQLQIEISA-N 0 0 173.215 2.110 10 30 AEEERN Cc1ccc([C@@H](C)N[C@H](C)C#N)o1 43515217 168835433 /nfs/dbraw/zinc/83/54/33/168835433.db2.gz OGTAHKUPTRVAGM-VXNVDRBHSA-N 0 0 178.235 2.151 10 30 AEEERN Cc1ccc([C@@H](C)N[C@@H](C)C#N)o1 43515215 168836296 /nfs/dbraw/zinc/83/62/96/168836296.db2.gz OGTAHKUPTRVAGM-IONNQARKSA-N 0 0 178.235 2.151 10 30 AEEERN Cc1ccc([C@@H]2C[C@@H]2C=O)cc1 75422172 168839309 /nfs/dbraw/zinc/83/93/09/168839309.db2.gz NSAPRDVGOYZLEC-MNOVXSKESA-N 0 0 160.216 2.297 10 30 AEEERN Cc1ccc([C@H](C#N)N(C)C)c(C)c1 37355089 168839431 /nfs/dbraw/zinc/83/94/31/168839431.db2.gz KEQNPGPVELWGTF-LBPRGKRZSA-N 0 0 188.274 2.430 10 30 AEEERN Cc1ccc([C@H](C)NC[C@H](C)C#N)o1 37980922 168840958 /nfs/dbraw/zinc/84/09/58/168840958.db2.gz AMOHLSHNOZVEKA-SCZZXKLOSA-N 0 0 192.262 2.398 10 30 AEEERN Cc1ccc([C@H](O)CCC#N)cc1 41199129 168842041 /nfs/dbraw/zinc/84/20/41/168842041.db2.gz PDKHHGIJBIRWOT-LLVKDONJSA-N 0 0 175.231 2.332 10 30 AEEERN Cc1ccc([C@H](O)[C@H](C)S)cc1 5332500 168842868 /nfs/dbraw/zinc/84/28/68/168842868.db2.gz RPEYEIZMCVVZOK-WCBMZHEXSA-N 0 0 182.288 2.347 10 30 AEEERN Cc1ccc([C@H]2C[C@@H]2C=O)cc1 75422173 168843344 /nfs/dbraw/zinc/84/33/44/168843344.db2.gz NSAPRDVGOYZLEC-GHMZBOCLSA-N 0 0 160.216 2.297 10 30 AEEERN Cc1ccc([C@H]2O[C@H]2C)cc1 19262511 168844116 /nfs/dbraw/zinc/84/41/16/168844116.db2.gz PNTDWXMTQVSJNZ-WPRPVWTQSA-N 0 0 148.205 2.455 10 30 AEEERN Cc1ccc2c(C#N)n[nH]c2c1C 73635799 168845869 /nfs/dbraw/zinc/84/58/69/168845869.db2.gz JOXVKIODBRXWHI-UHFFFAOYSA-N 0 0 171.203 2.051 10 30 AEEERN Cc1ccc2c(=O)c(C#N)c[nH]c2c1 95937937 168846135 /nfs/dbraw/zinc/84/61/35/168846135.db2.gz ZMBJRMRQNFBWCB-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN Cc1ccc2c(C#N)nccc2c1 82766626 168846356 /nfs/dbraw/zinc/84/63/56/168846356.db2.gz DYUCMZAGPSLZAB-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1ccc2c(C#N)cncc2c1 82806767 168846368 /nfs/dbraw/zinc/84/63/68/168846368.db2.gz ZGTXYHLQEJWMDW-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1ccc2c(=O)cc(C#N)[nH]c2c1 77255676 168846584 /nfs/dbraw/zinc/84/65/84/168846584.db2.gz XJDPFYUMTJQRLG-UHFFFAOYSA-N 0 0 184.198 2.121 10 30 AEEERN Cc1ccc2[nH]ccc2c1C#N 89204321 168846609 /nfs/dbraw/zinc/84/66/09/168846609.db2.gz ZAYRVHCZSKMVIW-UHFFFAOYSA-N 0 0 156.188 2.348 10 30 AEEERN Cc1ccc2c(c1)C(=O)C[C@H]2C#N 58518455 168847754 /nfs/dbraw/zinc/84/77/54/168847754.db2.gz APPBYIMKHHHHNS-QMMMGPOBSA-N 0 0 171.199 2.189 10 30 AEEERN Cc1ccc2c(c1)[C@@H](C#N)CCO2 41198686 168850183 /nfs/dbraw/zinc/85/01/83/168850183.db2.gz YDUVWXXAUUYURH-SECBINFHSA-N 0 0 173.215 2.385 10 30 AEEERN Cc1ccc2c(c1)[C@H](C#N)CCO2 41198683 168852059 /nfs/dbraw/zinc/85/20/59/168852059.db2.gz YDUVWXXAUUYURH-VIFPVBQESA-N 0 0 173.215 2.385 10 30 AEEERN Cc1ccc2ccc(C#N)nc2c1 34479162 168853283 /nfs/dbraw/zinc/85/32/83/168853283.db2.gz UNQXTWSOYVNIIL-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1ccc2c(cnn2CCC#N)c1 45921263 168853571 /nfs/dbraw/zinc/85/35/71/168853571.db2.gz NQEIXLQFBLJQDS-UHFFFAOYSA-N 0 0 185.230 2.258 10 30 AEEERN Cc1ccc2cccc(OCC#N)c2n1 36965532 168855499 /nfs/dbraw/zinc/85/54/99/168855499.db2.gz YETBHGZOUUDSPW-UHFFFAOYSA-N 0 0 198.225 2.446 10 30 AEEERN Cc1ccc2ccn(CC=O)c2c1 50130093 168855653 /nfs/dbraw/zinc/85/56/53/168855653.db2.gz WYUYEDBRIHIKBR-UHFFFAOYSA-N 0 0 173.215 2.149 10 30 AEEERN Cc1ccc2ncccc2c1C#N 75556247 168857590 /nfs/dbraw/zinc/85/75/90/168857590.db2.gz HOSIDNGSOWWYGA-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN Cc1cccc(C(=O)CCC#N)c1 36303542 168861423 /nfs/dbraw/zinc/86/14/23/168861423.db2.gz WPROVBZACAFBJY-UHFFFAOYSA-N 0 0 173.215 2.482 10 30 AEEERN Cc1cccc(C)c1CCC=O 95938088 168862326 /nfs/dbraw/zinc/86/23/26/168862326.db2.gz FNYPDOIEZBGABA-UHFFFAOYSA-N 0 0 162.232 2.435 10 30 AEEERN Cc1cccc(CCN[C@H](C)C#N)c1 51669635 168863484 /nfs/dbraw/zinc/86/34/84/168863484.db2.gz BOWMXKSVUKRLJP-LLVKDONJSA-N 0 0 188.274 2.039 10 30 AEEERN Cc1cccc(C)c1[C@@H]1CO1 13546429 168863882 /nfs/dbraw/zinc/86/38/82/168863882.db2.gz URVKUDMWVUKDEM-VIFPVBQESA-N 0 0 148.205 2.375 10 30 AEEERN Cc1cccc(C)c1[C@H]1CO1 13546431 168863950 /nfs/dbraw/zinc/86/39/50/168863950.db2.gz URVKUDMWVUKDEM-SECBINFHSA-N 0 0 148.205 2.375 10 30 AEEERN Cc1cccc(C[C@@](C)(C#N)CO)c1 58520926 168865882 /nfs/dbraw/zinc/86/58/82/168865882.db2.gz AQTIQOJCBQWWRU-LBPRGKRZSA-N 0 0 189.258 2.060 10 30 AEEERN Cc1cccc(C[C@](C)(C#N)CO)c1 58520923 168867198 /nfs/dbraw/zinc/86/71/98/168867198.db2.gz AQTIQOJCBQWWRU-GFCCVEGCSA-N 0 0 189.258 2.060 10 30 AEEERN Cc1cccc(OC[C@H]2C[C@H]2C=O)c1 238500396 168871684 /nfs/dbraw/zinc/87/16/84/168871684.db2.gz UXMVDYUJZNXBFQ-WDEREUQCSA-N 0 0 190.242 2.209 10 30 AEEERN Cc1cccc(OCCS)c1 41168192 168871865 /nfs/dbraw/zinc/87/18/65/168871865.db2.gz ZJHZSALGYWWQTM-UHFFFAOYSA-N 0 0 168.261 2.304 10 30 AEEERN Cc1cccc([C@@H](C#N)N(C)C)c1C 43316059 168872167 /nfs/dbraw/zinc/87/21/67/168872167.db2.gz IVVMPBPNWNZOKG-GFCCVEGCSA-N 0 0 188.274 2.430 10 30 AEEERN Cc1cccc([C@@H](O)CCC#N)c1 41199126 168872487 /nfs/dbraw/zinc/87/24/87/168872487.db2.gz ACNLIEZVMCETDP-NSHDSACASA-N 0 0 175.231 2.332 10 30 AEEERN Cc1cccc([C@@H]2C[C@@H]2C=O)c1 75422214 168873219 /nfs/dbraw/zinc/87/32/19/168873219.db2.gz OTUIZVBLLABHKQ-MNOVXSKESA-N 0 0 160.216 2.297 10 30 AEEERN Cc1cccc([C@H](C#N)N(C)C)c1C 43316061 168875011 /nfs/dbraw/zinc/87/50/11/168875011.db2.gz IVVMPBPNWNZOKG-LBPRGKRZSA-N 0 0 188.274 2.430 10 30 AEEERN Cc1cccc([C@](C)(C#N)N(C)C)c1 58520731 168876495 /nfs/dbraw/zinc/87/64/95/168876495.db2.gz ZDEVYSRXNOZZNW-LBPRGKRZSA-N 0 0 188.274 2.295 10 30 AEEERN Cc1cccc([C@H]2C[C@@H]2C=O)c1 75422215 168876839 /nfs/dbraw/zinc/87/68/39/168876839.db2.gz OTUIZVBLLABHKQ-GHMZBOCLSA-N 0 0 160.216 2.297 10 30 AEEERN Cc1cccc2c1NC[C@H]2C#N 71486964 168877932 /nfs/dbraw/zinc/87/79/32/168877932.db2.gz QUJQYWPGVZOEPR-MRVPVSSYSA-N 0 0 158.204 2.028 10 30 AEEERN Cc1cccc2c1CCO[C@H]2C#N 6318335 168878359 /nfs/dbraw/zinc/87/83/59/168878359.db2.gz HTOIYEKMBWQFJV-NSHDSACASA-N 0 0 173.215 2.132 10 30 AEEERN Cc1cccc2c1NC[C@H]2CC#N 71487055 168878556 /nfs/dbraw/zinc/87/85/56/168878556.db2.gz UTZPEBFILNQJRI-SECBINFHSA-N 0 0 172.231 2.418 10 30 AEEERN Cc1ccccc1-c1noc(N)c1C#N 4142187 168882662 /nfs/dbraw/zinc/88/26/62/168882662.db2.gz MKMUSRBILMAWNJ-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN Cc1cccnc1N=[N+]=[N-] 72231172 168887214 /nfs/dbraw/zinc/88/72/14/168887214.db2.gz HZRYWTCSUBLKBV-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 in-vitro AEEERN Cc1ccnc(N[C@@H]2CC23CC3)c1C#N 335107820 168890354 /nfs/dbraw/zinc/89/03/54/168890354.db2.gz KPCJEOVRGHBMIG-SNVBAGLBSA-N 0 0 199.257 2.226 10 30 AEEERN Cc1ccsc1C(=O)[C@H](C)C#N 36935171 168894819 /nfs/dbraw/zinc/89/48/19/168894819.db2.gz RJAJGEMMKYMUHI-SSDOTTSWSA-N 0 0 179.244 2.399 10 30 AEEERN Cc1ccsc1C(=O)[C@@H](C)C#N 36935169 168895582 /nfs/dbraw/zinc/89/55/82/168895582.db2.gz RJAJGEMMKYMUHI-ZETCQYMHSA-N 0 0 179.244 2.399 10 30 AEEERN Cc1ccsc1[C@@H](C#N)N(C)C 41674747 168895911 /nfs/dbraw/zinc/89/59/11/168895911.db2.gz BQFPFOLVMHHCOG-MRVPVSSYSA-N 0 0 180.276 2.183 10 30 AEEERN Cc1cn(CC=O)c2ccccc12 5394670 168898746 /nfs/dbraw/zinc/89/87/46/168898746.db2.gz ZWPBJYMPRDQYBN-UHFFFAOYSA-N 0 0 173.215 2.149 10 30 AEEERN Cc1cn2c(CC#N)c(C)nc2s1 36256957 168899543 /nfs/dbraw/zinc/89/95/43/168899543.db2.gz UAFFBVAUGCGPTO-UHFFFAOYSA-N 0 0 191.259 2.079 10 30 AEEERN Cc1cnc(SC[C@H](C)C#N)nc1 42404471 168905814 /nfs/dbraw/zinc/90/58/14/168905814.db2.gz KBVIHMOYFIKREN-SSDOTTSWSA-N 0 0 193.275 2.037 10 30 AEEERN Cc1cnc(S[C@@H](C)CC#N)nc1 42404540 168906374 /nfs/dbraw/zinc/90/63/74/168906374.db2.gz VIRWIRHJQIFWDP-QMMMGPOBSA-N 0 0 193.275 2.179 10 30 AEEERN Cc1cnc2c(c1)CCC[C@H]2C#N 39200050 168908164 /nfs/dbraw/zinc/90/81/64/168908164.db2.gz NDMPTWYIVGDYNM-JTQLQIEISA-N 0 0 172.231 2.334 10 30 AEEERN Cc1cncc(N=[N+]=[N-])c1 72231176 168912999 /nfs/dbraw/zinc/91/29/99/168912999.db2.gz BUABFKOZJFUXST-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN Cc1cnn(-c2ccccc2C#N)c1 37677255 168913600 /nfs/dbraw/zinc/91/36/00/168913600.db2.gz FCNIZUXXNJGORO-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN Cc1cnn(-c2cccc(C#N)c2)c1 37676758 168914204 /nfs/dbraw/zinc/91/42/04/168914204.db2.gz IPGLHCVZZZQWBU-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN Cc1cnn([C@@H]2CCC[C@@H]2C#N)c1 37677295 168915740 /nfs/dbraw/zinc/91/57/40/168915740.db2.gz OMYBQNFCKUHCKC-NXEZZACHSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1cnn([C@@H]2CCC[C@H]2C#N)c1 37677297 168916361 /nfs/dbraw/zinc/91/63/61/168916361.db2.gz OMYBQNFCKUHCKC-VHSXEESVSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1cnn([C@@H]2CCCC[C@H]2C#N)c1 37677325 168916382 /nfs/dbraw/zinc/91/63/82/168916382.db2.gz YDVDQBIUINKBLB-WDEREUQCSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1cnn([C@H]2CCCC[C@H]2C#N)c1 37677326 168916862 /nfs/dbraw/zinc/91/68/62/168916862.db2.gz YDVDQBIUINKBLB-QWRGUYRKSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1csc2nc(Cl)c(C#N)n12 21950419 168922324 /nfs/dbraw/zinc/92/23/24/168922324.db2.gz KDEAZYFPQRSGKC-UHFFFAOYSA-N 0 0 197.650 2.229 10 30 AEEERN Cc1cscc1N[C@H](C)C#N 306332320 168922442 /nfs/dbraw/zinc/92/24/42/168922442.db2.gz CYWZMXUKCIGNOR-SSDOTTSWSA-N 0 0 166.249 2.381 10 30 AEEERN Cc1n[nH]c(C)c1C1=CC(=O)CCC1 75864710 168923856 /nfs/dbraw/zinc/92/38/56/168923856.db2.gz HWJUVFJMMWUANU-UHFFFAOYSA-N 0 0 190.246 2.163 10 30 AEEERN Cc1nc(N[C@@H]2C[C@H]2C)ccc1C#N 306196440 168946878 /nfs/dbraw/zinc/94/68/78/168946878.db2.gz KHKZCVKAUXOHRH-GMSGAONNSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1nc([C@H]2CCCO2)sc1C#N 82420650 168951177 /nfs/dbraw/zinc/95/11/77/168951177.db2.gz VQCFEANQCPYRMA-SSDOTTSWSA-N 0 0 194.259 2.175 10 30 AEEERN Cc1nc2ccc(C#N)cc2nc1C 39114458 168956798 /nfs/dbraw/zinc/95/67/98/168956798.db2.gz IECMSDTYWFSMTB-UHFFFAOYSA-N 0 0 183.214 2.118 10 30 AEEERN Cc1nc2cc(CC#N)ccc2o1 82587713 168957290 /nfs/dbraw/zinc/95/72/90/168957290.db2.gz XRUIAVNFZOJGPZ-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN Cc1nc2cccc(Cl)n2c1C#N 74374981 168958721 /nfs/dbraw/zinc/95/87/21/168958721.db2.gz YTJVQLLFSKTMAJ-UHFFFAOYSA-N 0 0 191.621 2.168 10 30 AEEERN CC(C)(C)/N=C/c1ccccn1 136250652 343978018 /nfs/dbraw/zinc/97/80/18/343978018.db2.gz YWWYTOLUQKRDTE-XYOKQWHBSA-N 0 0 162.236 2.299 10 30 AEEERN Cc1nnc(S[C@H](C)CC#N)s1 48247944 168994225 /nfs/dbraw/zinc/99/42/25/168994225.db2.gz WFWOUQBJRPACMG-RXMQYKEDSA-N 0 0 199.304 2.241 10 30 AEEERN Cc1nnc(S[C@@H](C)CC#N)s1 48247940 168994235 /nfs/dbraw/zinc/99/42/35/168994235.db2.gz WFWOUQBJRPACMG-YFKPBYRVSA-N 0 0 199.304 2.241 10 30 AEEERN Cc1noc(-c2ccc(C#N)cc2C)n1 227793817 168996983 /nfs/dbraw/zinc/99/69/83/168996983.db2.gz BYIHJNNCTSRPTG-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN Cc1noc2cc(C#N)ccc12 83269176 169003653 /nfs/dbraw/zinc/00/36/53/169003653.db2.gz KEXAXKOHVHPVJW-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN Cc1oc(C(C)C)nc1CC#N 11585014 169007005 /nfs/dbraw/zinc/00/70/05/169007005.db2.gz XSHVZDRQBWREAP-UHFFFAOYSA-N 0 0 164.208 2.173 10 30 AEEERN Cc1oc(C(C)(C)C)nc1CC#N 11585024 169007610 /nfs/dbraw/zinc/00/76/10/169007610.db2.gz XXIKMNBIOVZWQO-UHFFFAOYSA-N 0 0 178.235 2.347 10 30 AEEERN Cc1oc(C)c(C#N)c1C 77088617 169007622 /nfs/dbraw/zinc/00/76/22/169007622.db2.gz LCKDJAZKCQFVEG-UHFFFAOYSA-N 0 0 135.166 2.077 10 30 AEEERN Cc1oc(CC(C)C)nc1CC#N 11585018 169008133 /nfs/dbraw/zinc/00/81/33/169008133.db2.gz FZEGONTWRVFPDU-UHFFFAOYSA-N 0 0 178.235 2.248 10 30 AEEERN Cc1nsc2ccc(C#N)cc12 83272265 169008220 /nfs/dbraw/zinc/00/82/20/169008220.db2.gz JSXQYSNGAYESRW-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN Cc1oc(-c2ccco2)nc1CC#N 11585026 169008297 /nfs/dbraw/zinc/00/82/97/169008297.db2.gz FWFBJXRLODDQNG-UHFFFAOYSA-N 0 0 188.186 2.309 10 30 AEEERN Cc1oc(Br)cc1C#N 83276564 169008384 /nfs/dbraw/zinc/00/83/84/169008384.db2.gz PXFYEHRXTKPQHT-UHFFFAOYSA-N 0 0 186.008 2.222 10 30 AEEERN Cc1oc(C(C)(C)C)nc1CC=O 11968950 169008398 /nfs/dbraw/zinc/00/83/98/169008398.db2.gz YONLJSRAPQHBDA-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN Cc1oc(N)c(C#N)c1-c1cc[nH]c1 82529985 169008744 /nfs/dbraw/zinc/00/87/44/169008744.db2.gz HZSVMQAXROFWSB-UHFFFAOYSA-N 0 0 187.202 2.037 10 30 AEEERN Cc1oc2c(c1C)C(=NO)CCC2 256016452 169009205 /nfs/dbraw/zinc/00/92/05/169009205.db2.gz ZRCUHWOYTMKZML-UHFFFAOYSA-N 0 0 179.219 2.411 10 30 AEEERN Cc1oc(NC(C)(C)C)nc1C#N 75569439 169009600 /nfs/dbraw/zinc/00/96/00/169009600.db2.gz PKFIQQBMJKMLGE-UHFFFAOYSA-N 0 0 179.223 2.065 10 30 AEEERN Cc1occc1C(C)(C)C=O 75539511 169012097 /nfs/dbraw/zinc/01/20/97/169012097.db2.gz YBOICIYTARXDFR-UHFFFAOYSA-N 0 0 152.193 2.065 10 30 AEEERN Cc1sc2ncc(CC#N)n2c1C 36255555 169014317 /nfs/dbraw/zinc/01/43/17/169014317.db2.gz LNWSZALGAYXVEZ-UHFFFAOYSA-N 0 0 191.259 2.079 10 30 AEEERN Cn1c(C#N)ccc1-c1ccc(N)cc1 34947985 169030756 /nfs/dbraw/zinc/03/07/56/169030756.db2.gz JZAVMYVQBMKQNC-UHFFFAOYSA-N 0 0 197.241 2.146 10 30 AEEERN Cn1c(C2CC2)nc2cc(C#N)ccc21 82588971 169030949 /nfs/dbraw/zinc/03/09/49/169030949.db2.gz JFAGOKODVNNEJM-UHFFFAOYSA-N 0 0 197.241 2.322 10 30 AEEERN Cn1c(CS)nc2cc(F)ccc21 71744081 169032302 /nfs/dbraw/zinc/03/23/02/169032302.db2.gz SUEGPFQNLACXOZ-UHFFFAOYSA-N 0 0 196.250 2.142 10 30 AEEERN Cn1c(CCS)nc2ccccc21 74536146 169032503 /nfs/dbraw/zinc/03/25/03/169032503.db2.gz JFJVPVSICQFBPT-UHFFFAOYSA-N 0 0 192.287 2.046 10 30 AEEERN Cn1c(CCC#N)nc2ccccc21 44550795 169032713 /nfs/dbraw/zinc/03/27/13/169032713.db2.gz XKUARLFGNGCAIN-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN Cn1c(CS)nc2ccccc21 5007989 169033921 /nfs/dbraw/zinc/03/39/21/169033921.db2.gz WTIIKHXCQOVGKN-UHFFFAOYSA-N 0 0 178.260 2.003 10 30 AEEERN Cn1cc(C#N)c2ccc(F)cc21 82587742 169036968 /nfs/dbraw/zinc/03/69/68/169036968.db2.gz FMUPRGQQCYUOHN-UHFFFAOYSA-N 0 0 174.178 2.189 10 30 AEEERN Cn1cc(C#N)c2cc(F)ccc21 82399507 169037237 /nfs/dbraw/zinc/03/72/37/169037237.db2.gz XKOMJZKKKPWVSB-UHFFFAOYSA-N 0 0 174.178 2.189 10 30 AEEERN Cn1cc(C#N)c2cccc(F)c21 82587740 169037391 /nfs/dbraw/zinc/03/73/91/169037391.db2.gz LTRPXBDFABHQHA-UHFFFAOYSA-N 0 0 174.178 2.189 10 30 AEEERN Cn1cc(CC#N)c2cccc(F)c21 82588175 169037486 /nfs/dbraw/zinc/03/74/86/169037486.db2.gz NCXVPZPOEMWNPQ-UHFFFAOYSA-N 0 0 188.205 2.383 10 30 AEEERN Cn1cc(CC#N)c2ccc(F)cc21 82588178 169037576 /nfs/dbraw/zinc/03/75/76/169037576.db2.gz IYMMTYZBYGMAPP-UHFFFAOYSA-N 0 0 188.205 2.383 10 30 in-vitro AEEERN Cn1cc(CCC=O)c2ccccc21 107173392 169038252 /nfs/dbraw/zinc/03/82/52/169038252.db2.gz WAOFJJFRSUTEGC-UHFFFAOYSA-N 0 0 187.242 2.310 10 30 AEEERN Cn1cc([C@@]2(C)CO2)c2ccccc21 82529998 169041100 /nfs/dbraw/zinc/04/11/00/169041100.db2.gz AYMRCZGFDVDUHW-GFCCVEGCSA-N 0 0 187.242 2.424 10 30 AEEERN Cn1cc([C@@H]2CO2)c2ccccc21 71496730 169041780 /nfs/dbraw/zinc/04/17/80/169041780.db2.gz LIPZLUYCJSWINC-NSHDSACASA-N 0 0 173.215 2.250 10 30 AEEERN Cn1cc(SCCCCC#N)cn1 49579619 169042339 /nfs/dbraw/zinc/04/23/39/169042339.db2.gz NCJUJWIKCOCRSG-UHFFFAOYSA-N 0 0 195.291 2.206 10 30 AEEERN Cn1cc([C@]2(C)CO2)c2ccccc21 82529999 169042841 /nfs/dbraw/zinc/04/28/41/169042841.db2.gz AYMRCZGFDVDUHW-LBPRGKRZSA-N 0 0 187.242 2.424 10 30 AEEERN Cn1cc2ccccc2c1C#N 39402274 169043802 /nfs/dbraw/zinc/04/38/02/169043802.db2.gz MILFMFBREMHXEQ-UHFFFAOYSA-N 0 0 156.188 2.050 10 30 AEEERN Cn1cc([C@H]2CO2)c2ccccc21 71496732 169043832 /nfs/dbraw/zinc/04/38/32/169043832.db2.gz LIPZLUYCJSWINC-LLVKDONJSA-N 0 0 173.215 2.250 10 30 AEEERN Cn1ccc(CCCCS)c1 71496475 169045777 /nfs/dbraw/zinc/04/57/77/169045777.db2.gz RFRYWCORSWRRCQ-UHFFFAOYSA-N 0 0 169.293 2.278 10 30 AEEERN Cn1cccc1/C=N\Cc1cccnc1 100286143 169047915 /nfs/dbraw/zinc/04/79/15/169047915.db2.gz XDBAHVUODAJPFQ-UVTDQMKNSA-N 0 0 199.257 2.039 10 30 AEEERN Cn1cccc1/C=N/Cc1cccnc1 39117495 169048099 /nfs/dbraw/zinc/04/80/99/169048099.db2.gz XDBAHVUODAJPFQ-GXDHUFHOSA-N 0 0 199.257 2.039 10 30 AEEERN Cn1cccc1C1=CC(=O)CCC1 77265760 169048640 /nfs/dbraw/zinc/04/86/40/169048640.db2.gz MNVXVVFOLRFWSV-UHFFFAOYSA-N 0 0 175.231 2.162 10 30 AEEERN Cn1cnc2cc(CCS)ccc21 77277345 169055086 /nfs/dbraw/zinc/05/50/86/169055086.db2.gz OHKVAJNAUOVYIT-UHFFFAOYSA-N 0 0 192.287 2.046 10 30 AEEERN Cn1cnc2cc(CS)ccc21 77267192 169055631 /nfs/dbraw/zinc/05/56/31/169055631.db2.gz ZUWKUGNHCVKYBR-UHFFFAOYSA-N 0 0 178.260 2.003 10 30 AEEERN Cn1cnc2cc(CCC#N)ccc21 82588100 169056122 /nfs/dbraw/zinc/05/61/22/169056122.db2.gz IXNKZOQNAJYQOI-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN Cn1nc(C#N)cc1-c1cccs1 32008170 169060115 /nfs/dbraw/zinc/06/01/15/169060115.db2.gz AHHZICHMOFCSRI-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN Cn1nc(Cl)c2cc(C#N)ccc21 76190556 169062198 /nfs/dbraw/zinc/06/21/98/169062198.db2.gz AHPHJPXXTBXPBW-UHFFFAOYSA-N 0 0 191.621 2.098 10 30 AEEERN FC(F)Oc1ccccc1[C@@H]1CO1 19255922 169073551 /nfs/dbraw/zinc/07/35/51/169073551.db2.gz UNWNPCQNHMRDKS-QMMMGPOBSA-N 0 0 186.157 2.359 10 30 AEEERN FC(F)Oc1cccc([C@@H]2CO2)c1 36905203 169074020 /nfs/dbraw/zinc/07/40/20/169074020.db2.gz XOVZKVOPPAPTDG-QMMMGPOBSA-N 0 0 186.157 2.359 10 30 AEEERN FC(F)Oc1ccccc1[C@H]1CO1 19255924 169074504 /nfs/dbraw/zinc/07/45/04/169074504.db2.gz UNWNPCQNHMRDKS-MRVPVSSYSA-N 0 0 186.157 2.359 10 30 AEEERN FC(F)Oc1cccc([C@H]2CO2)c1 36905204 169074605 /nfs/dbraw/zinc/07/46/05/169074605.db2.gz XOVZKVOPPAPTDG-MRVPVSSYSA-N 0 0 186.157 2.359 10 30 AEEERN FCCCCCCS 31357128 169077788 /nfs/dbraw/zinc/07/77/88/169077788.db2.gz YEJIOOCWBINOSK-UHFFFAOYSA-N 0 0 136.235 2.446 10 30 AEEERN Fc1ccc(OCCS)c(F)c1 41204957 169082477 /nfs/dbraw/zinc/08/24/77/169082477.db2.gz VSHBXFHXUMGOFF-UHFFFAOYSA-N 0 0 190.214 2.273 10 30 AEEERN Fc1ccc(OCCS)cc1F 41204958 169083222 /nfs/dbraw/zinc/08/32/22/169083222.db2.gz YMXKPSIOXDCAHM-UHFFFAOYSA-N 0 0 190.214 2.273 10 30 AEEERN Fc1ccc(F)c(CCS)c1 57935754 169083460 /nfs/dbraw/zinc/08/34/60/169083460.db2.gz MCXKWXQMMDRODQ-UHFFFAOYSA-N 0 0 174.215 2.437 10 30 AEEERN Fc1ccc(OCCS)cc1 41168516 169083614 /nfs/dbraw/zinc/08/36/14/169083614.db2.gz UJBCXPUHMNAUES-UHFFFAOYSA-N 0 0 172.224 2.134 10 30 AEEERN Fc1ccc(SC[C@H]2CO2)cc1 19863846 169084139 /nfs/dbraw/zinc/08/41/39/169084139.db2.gz VCHCHRUKBNUQHI-MRVPVSSYSA-N 0 0 184.235 2.317 10 30 AEEERN Fc1ccc2[nH]c(CCS)nc2c1 71743174 169084371 /nfs/dbraw/zinc/08/43/71/169084371.db2.gz QXIMVTUWJUABHR-UHFFFAOYSA-N 0 0 196.250 2.174 10 30 AEEERN Fc1ccc2[nH]c(CS)nc2c1 71743175 169085134 /nfs/dbraw/zinc/08/51/34/169085134.db2.gz PSLGDTHKNBZCGB-UHFFFAOYSA-N 0 0 182.223 2.132 10 30 AEEERN Fc1ccc(SC[C@@H]2CO2)cc1 19863842 169085197 /nfs/dbraw/zinc/08/51/97/169085197.db2.gz VCHCHRUKBNUQHI-QMMMGPOBSA-N 0 0 184.235 2.317 10 30 AEEERN Fc1cccc(OCCS)c1 41168514 169085697 /nfs/dbraw/zinc/08/56/97/169085697.db2.gz AWPAISVMKGIRRC-UHFFFAOYSA-N 0 0 172.224 2.134 10 30 AEEERN Fc1ccc2onc(CCS)c2c1 31888778 169086084 /nfs/dbraw/zinc/08/60/84/169086084.db2.gz KTQXOPLQBRAVIX-UHFFFAOYSA-N 0 0 197.234 2.439 10 30 AEEERN Fc1ccccc1CCS 58517722 169087104 /nfs/dbraw/zinc/08/71/04/169087104.db2.gz CYVNGKCGAUOWLV-UHFFFAOYSA-N 0 0 156.225 2.298 10 30 AEEERN Fc1ccccc1SC[C@@H]1CO1 19863809 169087463 /nfs/dbraw/zinc/08/74/63/169087463.db2.gz KIBDRAQKVVQHNZ-ZETCQYMHSA-N 0 0 184.235 2.317 10 30 AEEERN Fc1ccccc1NC1=NCCC1 2638052 169087532 /nfs/dbraw/zinc/08/75/32/169087532.db2.gz IYWOYPZXFKFBRN-UHFFFAOYSA-N 0 0 178.210 2.239 10 30 AEEERN Fc1ccccc1NC1=NCCS1 20302512 169087706 /nfs/dbraw/zinc/08/77/06/169087706.db2.gz XSUKUGRDRRWRDS-UHFFFAOYSA-N 0 0 196.250 2.150 10 30 AEEERN Fc1ccccc1SC[C@H]1CO1 19863812 169088067 /nfs/dbraw/zinc/08/80/67/169088067.db2.gz KIBDRAQKVVQHNZ-SSDOTTSWSA-N 0 0 184.235 2.317 10 30 AEEERN Fc1ccccc1CC[C@@H]1CO1 34514842 169088228 /nfs/dbraw/zinc/08/82/28/169088228.db2.gz GSBIKZHQVPAJEE-SECBINFHSA-N 0 0 166.195 2.157 10 30 AEEERN Fc1ccccc1CC[C@H]1CO1 34514843 169088381 /nfs/dbraw/zinc/08/83/81/169088381.db2.gz GSBIKZHQVPAJEE-VIFPVBQESA-N 0 0 166.195 2.157 10 30 AEEERN Fc1ccccc1OCCS 19421150 169088421 /nfs/dbraw/zinc/08/84/21/169088421.db2.gz ACWNUTXNAHFZGM-UHFFFAOYSA-N 0 0 172.224 2.134 10 30 AEEERN N#CC=NNc1cccc(Cl)c1 6092366 169090750 /nfs/dbraw/zinc/09/07/50/169090750.db2.gz UANBJEOUSVXYKE-VZUCSPMQSA-N 0 0 179.610 2.261 10 30 AEEERN N#CC#Cc1ccc(Cl)cc1 34300781 169090925 /nfs/dbraw/zinc/09/09/25/169090925.db2.gz WVQQIVVMSBHXDT-UHFFFAOYSA-N 0 0 161.591 2.215 10 30 AEEERN N#CC#CC1CCCCC1 37628966 169090941 /nfs/dbraw/zinc/09/09/41/169090941.db2.gz AKARHNDNSCEBMX-UHFFFAOYSA-N 0 0 133.194 2.094 10 30 AEEERN N#CC#CSC1CCCC1 39111518 169091331 /nfs/dbraw/zinc/09/13/31/169091331.db2.gz CWRIHCOLAMQEMV-UHFFFAOYSA-N 0 0 151.234 2.147 10 30 AEEERN N#CCC(=O)Cc1ccccc1Cl 41206552 169092537 /nfs/dbraw/zinc/09/25/37/169092537.db2.gz FLIPBQNJZPRUQN-UHFFFAOYSA-N 0 0 193.633 2.365 10 30 AEEERN N#CCC(=O)CC1CCCC1 37328453 169092591 /nfs/dbraw/zinc/09/25/91/169092591.db2.gz NFOXETTUJPRHTE-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN N#CCC(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 40177170 169092601 /nfs/dbraw/zinc/09/26/01/169092601.db2.gz GRDWSXWTEUXWQX-UTLUCORTSA-N 0 0 177.247 2.295 10 30 AEEERN N#CCC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 34939690 169093127 /nfs/dbraw/zinc/09/31/27/169093127.db2.gz GRDWSXWTEUXWQX-KXUCPTDWSA-N 0 0 177.247 2.295 10 30 AEEERN N#CCCCOCc1ccco1 19506512 169093896 /nfs/dbraw/zinc/09/38/96/169093896.db2.gz XEHNFVOXJVRZBG-UHFFFAOYSA-N 0 0 165.192 2.100 10 30 AEEERN N#CCCCOc1cc(F)ccc1N 19401977 169093897 /nfs/dbraw/zinc/09/38/97/169093897.db2.gz YTPSHYZPRQVYGY-UHFFFAOYSA-N 0 0 194.209 2.090 10 30 AEEERN N#CCCn1ncc2ccc(F)cc21 75937393 169094556 /nfs/dbraw/zinc/09/45/56/169094556.db2.gz YNARBQSLBVFDFD-UHFFFAOYSA-N 0 0 189.193 2.089 10 30 AEEERN N#CCC[C@H]1COc2ccccc2O1 39281072 169094590 /nfs/dbraw/zinc/09/45/90/169094590.db2.gz JQEVDRZMLSDNPS-VIFPVBQESA-N 0 0 189.214 2.130 10 30 AEEERN N#CCC[C@@H](O)c1ccccc1F 41200651 169094663 /nfs/dbraw/zinc/09/46/63/169094663.db2.gz KPBRZPWPAFENTB-SNVBAGLBSA-N 0 0 179.194 2.163 10 30 AEEERN N#CCCc1ccc([N+](=O)[O-])cc1 2510877 169094757 /nfs/dbraw/zinc/09/47/57/169094757.db2.gz GVBCIYYRQGBBPO-UHFFFAOYSA-N 0 0 176.175 2.051 10 30 in-vitro AEEERN N#CCCc1ccc2c(c1)CCCO2 82530002 169094759 /nfs/dbraw/zinc/09/47/59/169094759.db2.gz TUOWTFZXILMXCV-UHFFFAOYSA-N 0 0 187.242 2.468 10 30 AEEERN N#CCCc1ccc(C#N)cc1 1707666 169094818 /nfs/dbraw/zinc/09/48/18/169094818.db2.gz RVBBVUHBMANOJT-UHFFFAOYSA-N 0 0 156.188 2.014 10 30 AEEERN N#CCCc1ccc(F)cc1CC#N 44371483 169094855 /nfs/dbraw/zinc/09/48/55/169094855.db2.gz QHFIXUPBGSUOGE-UHFFFAOYSA-N 0 0 188.205 2.348 10 30 AEEERN N#CCCc1ccc2[nH]cnc2c1 82587707 169094877 /nfs/dbraw/zinc/09/48/77/169094877.db2.gz ZJTMYUREAYQYAT-UHFFFAOYSA-N 0 0 171.203 2.019 10 30 AEEERN N#CCC[C@H](O)c1cccs1 41168145 169094975 /nfs/dbraw/zinc/09/49/75/169094975.db2.gz PKWKOVBKZPXYOJ-ZETCQYMHSA-N 0 0 167.233 2.085 10 30 AEEERN N#CCCc1cc(F)ccc1[N+](=O)[O-] 48772609 169095103 /nfs/dbraw/zinc/09/51/03/169095103.db2.gz AXJHKMWSTKHCKI-UHFFFAOYSA-N 0 0 194.165 2.190 10 30 AEEERN N#CCCc1ccc2ocnc2c1 82587714 169095194 /nfs/dbraw/zinc/09/51/94/169095194.db2.gz HXZHODRKPBMCBD-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN N#CCC[C@@H](O)c1ccccc1 14503193 169095240 /nfs/dbraw/zinc/09/52/40/169095240.db2.gz RGJXXTGXWJWSAV-SNVBAGLBSA-N 0 0 161.204 2.024 10 30 AEEERN N#CCC[C@]1(C=O)CC=CCC1 75545762 169095272 /nfs/dbraw/zinc/09/52/72/169095272.db2.gz JPTMCKGOCKIMTI-JTQLQIEISA-N 0 0 163.220 2.216 10 30 AEEERN N#CCCc1cc(F)ccc1CC#N 44368891 169095289 /nfs/dbraw/zinc/09/52/89/169095289.db2.gz XAQODJMASVBMNS-UHFFFAOYSA-N 0 0 188.205 2.348 10 30 AEEERN N#CCC[C@@H]1CCCC(=O)C1 75539223 169095355 /nfs/dbraw/zinc/09/53/55/169095355.db2.gz WMVZKRKYDZJUMH-QMMMGPOBSA-N 0 0 151.209 2.049 10 30 AEEERN N#CCC[C@@H](O)c1ccc(F)cc1 41200657 169095418 /nfs/dbraw/zinc/09/54/18/169095418.db2.gz WJHYALWJBWURQL-SNVBAGLBSA-N 0 0 179.194 2.163 10 30 AEEERN N#CCCc1ccc(N)cc1Cl 83255042 169095420 /nfs/dbraw/zinc/09/54/20/169095420.db2.gz JEDBANGVTOWUNL-UHFFFAOYSA-N 0 0 180.638 2.378 10 30 AEEERN N#CCCn1cnc2cccc(F)c21 75935158 169095422 /nfs/dbraw/zinc/09/54/22/169095422.db2.gz ALECFJITEUDEIJ-UHFFFAOYSA-N 0 0 189.193 2.089 10 30 AEEERN N#CCCc1noc2ccc(F)cc12 75579494 169095424 /nfs/dbraw/zinc/09/54/24/169095424.db2.gz VKWZHGRBAGQESG-UHFFFAOYSA-N 0 0 190.177 2.423 10 30 AEEERN N#CCCc1ccc(F)c(CC#N)c1 44370810 169095446 /nfs/dbraw/zinc/09/54/46/169095446.db2.gz CTXYSVNIRYQZNV-UHFFFAOYSA-N 0 0 188.205 2.348 10 30 AEEERN N#CCC[C@H](O)c1ccccc1F 41200654 169095475 /nfs/dbraw/zinc/09/54/75/169095475.db2.gz KPBRZPWPAFENTB-JTQLQIEISA-N 0 0 179.194 2.163 10 30 AEEERN N#CCCc1ccccc1CC#N 44368110 169095491 /nfs/dbraw/zinc/09/54/91/169095491.db2.gz FVBBHBKNBNHLGD-UHFFFAOYSA-N 0 0 170.215 2.209 10 30 AEEERN N#CCCc1cccc2c1NCC2 89210366 169095515 /nfs/dbraw/zinc/09/55/15/169095515.db2.gz DFFCWVSCVXXKEJ-UHFFFAOYSA-N 0 0 172.231 2.111 10 30 AEEERN N#CCC[C@@]1(C=O)CC=CCC1 75545764 169095517 /nfs/dbraw/zinc/09/55/17/169095517.db2.gz JPTMCKGOCKIMTI-SNVBAGLBSA-N 0 0 163.220 2.216 10 30 AEEERN N#CCC[C@H]1CCCC(=O)C1 75539222 169095520 /nfs/dbraw/zinc/09/55/20/169095520.db2.gz WMVZKRKYDZJUMH-MRVPVSSYSA-N 0 0 151.209 2.049 10 30 AEEERN N#CCCc1cc(N)ccc1Cl 39473695 169095529 /nfs/dbraw/zinc/09/55/29/169095529.db2.gz NVIUTTYSVKPXSB-UHFFFAOYSA-N 0 0 180.638 2.378 10 30 AEEERN N#CCC[C@H](O)c1ccccc1 14503190 169095593 /nfs/dbraw/zinc/09/55/93/169095593.db2.gz RGJXXTGXWJWSAV-JTQLQIEISA-N 0 0 161.204 2.024 10 30 AEEERN N#CCCn1nccc1-c1ccccc1 42188340 169095620 /nfs/dbraw/zinc/09/56/20/169095620.db2.gz UTDWCIMUVOZRKU-UHFFFAOYSA-N 0 0 197.241 2.464 10 30 AEEERN N#CCCc1cccc2c1CCO2 21989383 169095628 /nfs/dbraw/zinc/09/56/28/169095628.db2.gz LUGFNLLBTSUBFE-UHFFFAOYSA-N 0 0 173.215 2.078 10 30 AEEERN N#CCC[C@@H]1COc2ccccc2O1 39281074 169095660 /nfs/dbraw/zinc/09/56/60/169095660.db2.gz JQEVDRZMLSDNPS-SECBINFHSA-N 0 0 189.214 2.130 10 30 AEEERN N#CCCc1ccc2ncoc2c1 82587711 169095669 /nfs/dbraw/zinc/09/56/69/169095669.db2.gz LGFMRSOFVMXIRW-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN N#CCC[C@@H](O)c1cccs1 41168143 169095720 /nfs/dbraw/zinc/09/57/20/169095720.db2.gz PKWKOVBKZPXYOJ-SSDOTTSWSA-N 0 0 167.233 2.085 10 30 AEEERN N#CCCn1cnc(-c2ccccc2)c1 5908698 169095748 /nfs/dbraw/zinc/09/57/48/169095748.db2.gz YEQHPWVUVLZSAK-UHFFFAOYSA-N 0 0 197.241 2.464 10 30 AEEERN N#CCCc1ccc(Cl)c(N)c1 83255036 169095759 /nfs/dbraw/zinc/09/57/59/169095759.db2.gz JHPLBYRSGFMTEG-UHFFFAOYSA-N 0 0 180.638 2.378 10 30 AEEERN N#CCCc1ccc(F)c(F)c1 36203756 169095797 /nfs/dbraw/zinc/09/57/97/169095797.db2.gz LDZMJOZCSIGVQI-UHFFFAOYSA-N 0 0 167.158 2.421 10 30 AEEERN N#CCCn1ncc2cc(F)ccc21 75937395 169095856 /nfs/dbraw/zinc/09/58/56/169095856.db2.gz GKIJHEGYERNBPS-UHFFFAOYSA-N 0 0 189.193 2.089 10 30 AEEERN N#CCC[C@H](O)c1ccc(F)cc1 41200660 169095868 /nfs/dbraw/zinc/09/58/68/169095868.db2.gz WJHYALWJBWURQL-JTQLQIEISA-N 0 0 179.194 2.163 10 30 AEEERN N#CCCc1ccccc1C#N 36437742 169095981 /nfs/dbraw/zinc/09/59/81/169095981.db2.gz WASYICHESQTQJR-UHFFFAOYSA-N 0 0 156.188 2.014 10 30 AEEERN N#CCCc1cccc(CC#N)c1 44368115 169096028 /nfs/dbraw/zinc/09/60/28/169096028.db2.gz JCYGDDVNLCTIQR-UHFFFAOYSA-N 0 0 170.215 2.209 10 30 AEEERN N#CCCc1coc2ccccc2c1=O 75601091 169096058 /nfs/dbraw/zinc/09/60/58/169096058.db2.gz UKGIRAUBWMODAE-UHFFFAOYSA-N 0 0 199.209 2.249 10 30 AEEERN N#CCN1Cc2ccc(Cl)cc2C1 58012154 169096298 /nfs/dbraw/zinc/09/62/98/169096298.db2.gz MVCKHKKJOIKFGY-UHFFFAOYSA-N 0 0 192.649 2.179 10 30 AEEERN N#CCOc1ccc2cccnc2c1 57346890 169097829 /nfs/dbraw/zinc/09/78/29/169097829.db2.gz QUPKVFWBIXCHJH-UHFFFAOYSA-N 0 0 184.198 2.137 10 30 AEEERN N#CCNc1cc(F)c(F)c(F)c1 61095853 169097875 /nfs/dbraw/zinc/09/78/75/169097875.db2.gz IGZXFGRJJRYXBU-UHFFFAOYSA-N 0 0 186.136 2.039 10 30 AEEERN N#CCNc1cc(F)cc(F)c1F 61095397 169097954 /nfs/dbraw/zinc/09/79/54/169097954.db2.gz LQWONXABSAZHLV-UHFFFAOYSA-N 0 0 186.136 2.039 10 30 AEEERN N#CCN[C@H]1CCCc2ccccc21 35221845 169097995 /nfs/dbraw/zinc/09/79/95/169097995.db2.gz CJIPTARDASXRTP-LBPRGKRZSA-N 0 0 186.258 2.177 10 30 AEEERN N#CCNc1ccc(OC(F)F)cc1 36904921 169098035 /nfs/dbraw/zinc/09/80/35/169098035.db2.gz DBZKWQLJXBOZEJ-UHFFFAOYSA-N 0 0 198.172 2.223 10 30 AEEERN N#CCNc1ccc(F)c(Cl)c1 58520376 169098050 /nfs/dbraw/zinc/09/80/50/169098050.db2.gz VVGLAYCJHVOFOA-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#CCOCC1CCCCC1 52153999 169098125 /nfs/dbraw/zinc/09/81/25/169098125.db2.gz PBVBRLUGEIJABT-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN N#CCOC/C=C\c1ccccc1 45015911 169098168 /nfs/dbraw/zinc/09/81/68/169098168.db2.gz NCCQCIAYLKHTPZ-DAXSKMNVSA-N 0 0 173.215 2.240 10 30 AEEERN N#CCNc1ccc(F)cc1Cl 20366766 169098329 /nfs/dbraw/zinc/09/83/29/169098329.db2.gz BNGKSSXLHUIJKM-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#CCNc1ccc(C#N)c(Cl)c1 37393457 169098337 /nfs/dbraw/zinc/09/83/37/169098337.db2.gz GKBDLBKCLKJGLC-UHFFFAOYSA-N 0 0 191.621 2.147 10 30 AEEERN N#CCNc1ccc(Cl)cc1F 42237755 169098403 /nfs/dbraw/zinc/09/84/03/169098403.db2.gz HROQDYFSDFCVAW-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#CCN[C@H]1CCCc2sccc21 61362505 169098448 /nfs/dbraw/zinc/09/84/48/169098448.db2.gz DTUTUPUFAJUUPH-VIFPVBQESA-N 0 0 192.287 2.239 10 30 AEEERN N#CCNCCC1CCCCC1 37741910 169098484 /nfs/dbraw/zinc/09/84/84/169098484.db2.gz WJAMHKYFXNXZEJ-UHFFFAOYSA-N 0 0 166.268 2.070 10 30 AEEERN N#CCOc1cccc2[nH]ccc12 34580006 169098762 /nfs/dbraw/zinc/09/87/62/169098762.db2.gz ZERGTXQEPAPZFF-UHFFFAOYSA-N 0 0 172.187 2.070 10 30 AEEERN N#CCNCc1cccc2ccccc12 52061806 169098786 /nfs/dbraw/zinc/09/87/86/169098786.db2.gz NQUSCJPZXJCMQH-UHFFFAOYSA-N 0 0 196.253 2.453 10 30 AEEERN N#CCOc1cccc2scnc12 89195214 169098874 /nfs/dbraw/zinc/09/88/74/169098874.db2.gz QKFBEZYMWOFCIH-UHFFFAOYSA-N 0 0 190.227 2.199 10 30 AEEERN N#CCNc1cc(Cl)ccc1F 35284590 169098929 /nfs/dbraw/zinc/09/89/29/169098929.db2.gz MNMUOWGEICOWGF-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#CCNc1ccccc1OC(F)F 36904928 169098969 /nfs/dbraw/zinc/09/89/69/169098969.db2.gz OPVAKZUMPSXPAL-UHFFFAOYSA-N 0 0 198.172 2.223 10 30 AEEERN N#CCNC1CCCCCCC1 20046418 169098990 /nfs/dbraw/zinc/09/89/90/169098990.db2.gz OFORTGIUVOVGJL-UHFFFAOYSA-N 0 0 166.268 2.212 10 30 AEEERN N#CCNc1ccccc1Cl 20052028 169099065 /nfs/dbraw/zinc/09/90/65/169099065.db2.gz XXYSYFREIHZHCQ-UHFFFAOYSA-N 0 0 166.611 2.275 10 30 AEEERN N#CCOCc1ccccc1Cl 19427798 169099105 /nfs/dbraw/zinc/09/91/05/169099105.db2.gz IHDQYEFEKYDLIT-UHFFFAOYSA-N 0 0 181.622 2.380 10 30 AEEERN N#CCOc1ccc2ncccc2c1 57346912 169099129 /nfs/dbraw/zinc/09/91/29/169099129.db2.gz CECGOKSIAWGSGL-UHFFFAOYSA-N 0 0 184.198 2.137 10 30 AEEERN N#CCN[C@@H]1CCCc2ccccc21 35221846 169099227 /nfs/dbraw/zinc/09/92/27/169099227.db2.gz CJIPTARDASXRTP-GFCCVEGCSA-N 0 0 186.258 2.177 10 30 AEEERN N#CCNc1ccc(Cl)c(F)c1 42580177 169099234 /nfs/dbraw/zinc/09/92/34/169099234.db2.gz IAUPISFNPAWRMQ-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#CCNCc1ccc(F)c(Cl)c1 53156696 169099275 /nfs/dbraw/zinc/09/92/75/169099275.db2.gz WSJLPIFUNSIZER-UHFFFAOYSA-N 0 0 198.628 2.092 10 30 AEEERN N#CCOc1cccc(Cl)c1C=O 37461697 169099289 /nfs/dbraw/zinc/09/92/89/169099289.db2.gz QONKVLZDMLDAEH-UHFFFAOYSA-N 0 0 195.605 2.055 10 30 AEEERN N#CCNc1ccc2c(c1)CCC2 20048623 169099293 /nfs/dbraw/zinc/09/92/93/169099293.db2.gz OBQJOCZHWAOISL-UHFFFAOYSA-N 0 0 172.231 2.111 10 30 AEEERN N#CCNc1cc(F)c(F)cc1F 61094134 169099305 /nfs/dbraw/zinc/09/93/05/169099305.db2.gz BKRAJNODRTVITO-UHFFFAOYSA-N 0 0 186.136 2.039 10 30 AEEERN N#CCOc1ccc2c(c1)CCC2 11834414 169099315 /nfs/dbraw/zinc/09/93/15/169099315.db2.gz RDWNWMILQJIOGX-UHFFFAOYSA-N 0 0 173.215 2.078 10 30 AEEERN N#CCNc1cccc(Cl)c1F 20472544 169099334 /nfs/dbraw/zinc/09/93/34/169099334.db2.gz HOFJRUYMXIYSBX-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#CCN[C@@H]1CCCc2sccc21 61362504 169099393 /nfs/dbraw/zinc/09/93/93/169099393.db2.gz DTUTUPUFAJUUPH-SECBINFHSA-N 0 0 192.287 2.239 10 30 AEEERN N#CCOc1ccc2c(c1)CCCC2 42417577 169099474 /nfs/dbraw/zinc/09/94/74/169099474.db2.gz LVQATZIDNDVDOE-UHFFFAOYSA-N 0 0 187.242 2.468 10 30 AEEERN N#CCNc1ccc(F)c(F)c1F 20044835 169099494 /nfs/dbraw/zinc/09/94/94/169099494.db2.gz AJAFCTPLCIWXAV-UHFFFAOYSA-N 0 0 186.136 2.039 10 30 AEEERN N#CCOC1CCCCCC1 40451610 169099505 /nfs/dbraw/zinc/09/95/05/169099505.db2.gz QPKKUJZHWMDVJA-UHFFFAOYSA-N 0 0 153.225 2.249 10 30 AEEERN N#CC[C@@H](C#N)c1cccs1 41167754 169099777 /nfs/dbraw/zinc/09/97/77/169099777.db2.gz PEXUQIXWGOOPLV-ZETCQYMHSA-N 0 0 162.217 2.269 10 30 AEEERN N#CC[C@H](N)c1ccccc1Cl 71498567 169099819 /nfs/dbraw/zinc/09/98/19/169099819.db2.gz YXEPEQMOQPKVES-VIFPVBQESA-N 0 0 180.638 2.253 10 30 AEEERN N#CC[C@@H]1CNc2c(F)cccc21 71487065 169099834 /nfs/dbraw/zinc/09/98/34/169099834.db2.gz LTAMOYYVYMQHTI-SSDOTTSWSA-N 0 0 176.194 2.248 10 30 AEEERN N#CC[C@@H](O)Cc1ccccc1Cl 41207183 169100000 /nfs/dbraw/zinc/10/00/00/169100000.db2.gz DZYRAFXZOSDDFI-SECBINFHSA-N 0 0 195.649 2.157 10 30 AEEERN N#CC[C@@H](c1ccccc1)n1cccn1 55020728 169100007 /nfs/dbraw/zinc/10/00/07/169100007.db2.gz VGPZPBLXIRHUJS-LBPRGKRZSA-N 0 0 197.241 2.386 10 30 AEEERN N#CC[C@@H]1CNc2cc(F)ccc21 71487089 169100059 /nfs/dbraw/zinc/10/00/59/169100059.db2.gz BZQYMQYCZSMNIZ-SSDOTTSWSA-N 0 0 176.194 2.248 10 30 AEEERN N#CCSc1ccc(N)cc1F 37194550 169100080 /nfs/dbraw/zinc/10/00/80/169100080.db2.gz KJFIUYWJBZXOKB-UHFFFAOYSA-N 0 0 182.223 2.024 10 30 AEEERN N#CC[C@@H]1CO[C@@H](c2ccccc2)O1 58520799 169100088 /nfs/dbraw/zinc/10/00/88/169100088.db2.gz WRAJHTPFKSLRAH-GHMZBOCLSA-N 0 0 189.214 2.014 10 30 AEEERN N#CC[C@@]12CCC[C@@H](CCC1=O)C2 75567973 169100119 /nfs/dbraw/zinc/10/01/19/169100119.db2.gz AGNKLTJCBJKVRO-GXSJLCMTSA-N 0 0 177.247 2.440 10 30 AEEERN N#CCSc1ccc(F)cc1N 37195220 169100139 /nfs/dbraw/zinc/10/01/39/169100139.db2.gz VHADSJHDEIHIDA-UHFFFAOYSA-N 0 0 182.223 2.024 10 30 AEEERN N#CC[C@@H]1CNc2ccc(F)cc21 71487019 169100154 /nfs/dbraw/zinc/10/01/54/169100154.db2.gz JAHMKEMKRGVDQX-SSDOTTSWSA-N 0 0 176.194 2.248 10 30 AEEERN N#CC[C@@H]1CNc2ccccc21 71487000 169100198 /nfs/dbraw/zinc/10/01/98/169100198.db2.gz QXXISAGAORFKJO-MRVPVSSYSA-N 0 0 158.204 2.109 10 30 AEEERN N#CC[C@@H]1CO[C@@H](c2cccs2)O1 57489661 169100232 /nfs/dbraw/zinc/10/02/32/169100232.db2.gz GGKDHHQTRYQVOF-VXNVDRBHSA-N 0 0 195.243 2.076 10 30 AEEERN Cc1nc(C#N)c(NC(C)(C)C)o1 75569434 168931846 /nfs/dbraw/zinc/93/18/46/168931846.db2.gz MBNPUMGBEGBOGU-UHFFFAOYSA-N 0 0 179.223 2.065 10 30 AEEERN N#CC[C@@H]1CCc2ccccc2N1 32169126 169100331 /nfs/dbraw/zinc/10/03/31/169100331.db2.gz QZTBXCDPHAWCOL-JTQLQIEISA-N 0 0 172.231 2.327 10 30 AEEERN N#CCSCc1cccc(C#N)c1 58239129 169100406 /nfs/dbraw/zinc/10/04/06/169100406.db2.gz PFUZMLNIOQONBD-UHFFFAOYSA-N 0 0 188.255 2.315 10 30 AEEERN N#CC[C@@H](O)Cc1cccc(Cl)c1 41207186 169100445 /nfs/dbraw/zinc/10/04/45/169100445.db2.gz UODQPJXNYMZGPT-SNVBAGLBSA-N 0 0 195.649 2.157 10 30 AEEERN N#CCSCc1cccc(N)c1 77019260 169100459 /nfs/dbraw/zinc/10/04/59/169100459.db2.gz FOSMQCQGKHAVAP-UHFFFAOYSA-N 0 0 178.260 2.026 10 30 AEEERN N#CC[C@@H]1CCCC[C@@H]1F 44370876 169100463 /nfs/dbraw/zinc/10/04/63/169100463.db2.gz JKCMEBCJXQJDGU-YUMQZZPRSA-N 0 0 141.189 2.428 10 30 AEEERN N#CC[C@H](N)c1cccc(Cl)c1 71498571 169100490 /nfs/dbraw/zinc/10/04/90/169100490.db2.gz PYZKJRPCKQKTNL-VIFPVBQESA-N 0 0 180.638 2.253 10 30 AEEERN N#CC[C@@H](O)c1ccccc1Cl 41201849 169100502 /nfs/dbraw/zinc/10/05/02/169100502.db2.gz WGEQAWBTLBNXNK-SECBINFHSA-N 0 0 181.622 2.287 10 30 AEEERN N#CC[C@@H]1CCCC[C@H]1F 44370881 169100507 /nfs/dbraw/zinc/10/05/07/169100507.db2.gz JKCMEBCJXQJDGU-JGVFFNPUSA-N 0 0 141.189 2.428 10 30 AEEERN N#CC[C@H](NC1CC1)c1ccccc1 55014753 169100605 /nfs/dbraw/zinc/10/06/05/169100605.db2.gz PMSNXZWDEAFJLF-LBPRGKRZSA-N 0 0 186.258 2.393 10 30 AEEERN N#CC[C@@H](O)c1ccc(Cl)cc1F 75601410 169100657 /nfs/dbraw/zinc/10/06/57/169100657.db2.gz MHFJBAWEKWIIEG-SECBINFHSA-N 0 0 199.612 2.426 10 30 AEEERN N#CC[C@@]1(C#N)CCc2ccccc21 103508 169100778 /nfs/dbraw/zinc/10/07/78/169100778.db2.gz QDXWDVPSKWHIDI-GFCCVEGCSA-N 0 0 182.226 2.308 10 30 AEEERN N#CC[C@H](C#N)c1ccccc1F 41198794 169100783 /nfs/dbraw/zinc/10/07/83/169100783.db2.gz WTAUJBQTNPNXLL-MRVPVSSYSA-N 0 0 174.178 2.347 10 30 AEEERN N#CCSc1ccc(O)cc1 37995579 169100831 /nfs/dbraw/zinc/10/08/31/169100831.db2.gz GXCFPXQGSNIVLQ-UHFFFAOYSA-N 0 0 165.217 2.008 10 30 AEEERN N#CCSCC(=O)c1ccccc1 1579616 169100838 /nfs/dbraw/zinc/10/08/38/169100838.db2.gz ZXNWVZRDLOLZFL-UHFFFAOYSA-N 0 0 191.255 2.126 10 30 AEEERN N#CC[C@H](N)c1ccc(Cl)cc1 71498576 169100895 /nfs/dbraw/zinc/10/08/95/169100895.db2.gz JRONFOMUFKMLPS-VIFPVBQESA-N 0 0 180.638 2.253 10 30 AEEERN N#CCSCc1ccccc1C#N 58239127 169100902 /nfs/dbraw/zinc/10/09/02/169100902.db2.gz NICDSWKEKGLJSZ-UHFFFAOYSA-N 0 0 188.255 2.315 10 30 AEEERN N#CC[C@@H](O)c1ccc(Cl)cc1 501182 169101046 /nfs/dbraw/zinc/10/10/46/169101046.db2.gz QSGWBYJAYXLQKS-SECBINFHSA-N 0 0 181.622 2.287 10 30 AEEERN N#CC[C@@H]1C=CCCC1 4706407 169101102 /nfs/dbraw/zinc/10/11/02/169101102.db2.gz CPKHEISRUCOCDH-MRVPVSSYSA-N 0 0 121.183 2.256 10 30 AEEERN N#CC[C@H](C#N)c1cccs1 41167756 169101130 /nfs/dbraw/zinc/10/11/30/169101130.db2.gz PEXUQIXWGOOPLV-SSDOTTSWSA-N 0 0 162.217 2.269 10 30 AEEERN N#CCSCc1ccc(N)cc1 58239117 169101140 /nfs/dbraw/zinc/10/11/40/169101140.db2.gz KMOCBRCLTCCGNR-UHFFFAOYSA-N 0 0 178.260 2.026 10 30 AEEERN N#CC[C@@H](C#N)c1ccccc1F 41198791 169101266 /nfs/dbraw/zinc/10/12/66/169101266.db2.gz WTAUJBQTNPNXLL-QMMMGPOBSA-N 0 0 174.178 2.347 10 30 AEEERN N#CC[C@@H]1CO[C@H](c2cccs2)O1 57489664 169101271 /nfs/dbraw/zinc/10/12/71/169101271.db2.gz GGKDHHQTRYQVOF-APPZFPTMSA-N 0 0 195.243 2.076 10 30 AEEERN N#CC[C@@H]1CO[C@H](c2ccccc2)O1 58520800 169101280 /nfs/dbraw/zinc/10/12/80/169101280.db2.gz WRAJHTPFKSLRAH-MNOVXSKESA-N 0 0 189.214 2.014 10 30 AEEERN N#CCSc1ccccc1[N+](=O)[O-] 35286748 169101318 /nfs/dbraw/zinc/10/13/18/169101318.db2.gz ZSHQWLLHLKHCCZ-UHFFFAOYSA-N 0 0 194.215 2.210 10 30 AEEERN N#CC[C@@]12CCCC1=CC(=O)CC2 39038618 169101339 /nfs/dbraw/zinc/10/13/39/169101339.db2.gz ZYNLNLKFIZKEIU-NSHDSACASA-N 0 0 175.231 2.360 10 30 AEEERN N#CC[C@@H](O)Cc1ccc(Cl)cc1 41207188 169101369 /nfs/dbraw/zinc/10/13/69/169101369.db2.gz CIJODHCWOALCPJ-SNVBAGLBSA-N 0 0 195.649 2.157 10 30 AEEERN N#CCc1c(Cl)cncc1Cl 34578922 169101606 /nfs/dbraw/zinc/10/16/06/169101606.db2.gz TUVKAJSXOWCFDO-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN N#CCc1c[nH]c2cccc(C=O)c12 75576489 169101613 /nfs/dbraw/zinc/10/16/13/169101613.db2.gz FCUBJJRLECBYSS-UHFFFAOYSA-N 0 0 184.198 2.046 10 30 AEEERN N#CCc1c[nH]c2cc(C#N)ccc12 35635633 169101638 /nfs/dbraw/zinc/10/16/38/169101638.db2.gz GLBUUJCINJTJKO-UHFFFAOYSA-N 0 0 181.198 2.106 10 30 AEEERN N#CCc1ccc(-c2cnco2)cc1 44369552 169101701 /nfs/dbraw/zinc/10/17/01/169101701.db2.gz BLSATQRQYQMQIU-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN N#CC[C@H]1CNc2ccc(F)cc21 71487021 169101747 /nfs/dbraw/zinc/10/17/47/169101747.db2.gz JAHMKEMKRGVDQX-ZETCQYMHSA-N 0 0 176.194 2.248 10 30 AEEERN N#CC[C@H]1CCc2ccccc2N1 32169129 169101767 /nfs/dbraw/zinc/10/17/67/169101767.db2.gz QZTBXCDPHAWCOL-SNVBAGLBSA-N 0 0 172.231 2.327 10 30 AEEERN N#CCc1cc(Cl)cnc1Cl 44370994 169101788 /nfs/dbraw/zinc/10/17/88/169101788.db2.gz NFXOJUZSMDJDRZ-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN N#CCc1c2ccc[nH]c-2nc1Cl 95937206 169101790 /nfs/dbraw/zinc/10/17/90/169101790.db2.gz QPFSZGIBUOXROF-UHFFFAOYSA-N 0 0 191.621 2.282 10 30 AEEERN N#CCc1c(Cl)cccc1[N+](=O)[O-] 39018267 169101803 /nfs/dbraw/zinc/10/18/03/169101803.db2.gz JBPSHVHTGBYCRH-UHFFFAOYSA-N 0 0 196.593 2.314 10 30 AEEERN N#CC[C@H](O)Cc1ccccc1Cl 41207184 169101814 /nfs/dbraw/zinc/10/18/14/169101814.db2.gz DZYRAFXZOSDDFI-VIFPVBQESA-N 0 0 195.649 2.157 10 30 AEEERN N#CCc1cc(F)c(F)cc1CC#N 44368195 169101820 /nfs/dbraw/zinc/10/18/20/169101820.db2.gz AVGGRZPYKOEOBN-UHFFFAOYSA-N 0 0 192.168 2.097 10 30 AEEERN N#CC[C@]12CCCC1=CC(=O)CC2 39038619 169101827 /nfs/dbraw/zinc/10/18/27/169101827.db2.gz ZYNLNLKFIZKEIU-LLVKDONJSA-N 0 0 175.231 2.360 10 30 AEEERN N#CCc1ccc(C2CCC2)nc1 95704602 169101869 /nfs/dbraw/zinc/10/18/69/169101869.db2.gz HWBDYRMTBZFKRY-UHFFFAOYSA-N 0 0 172.231 2.415 10 30 AEEERN N#CCc1ccc(CC#N)c(Cl)c1 44368863 169101870 /nfs/dbraw/zinc/10/18/70/169101870.db2.gz AWSBZOPECSXUEC-UHFFFAOYSA-N 0 0 190.633 2.472 10 30 AEEERN N#CC[C@H]1CCCC[C@H]1F 44370891 169101877 /nfs/dbraw/zinc/10/18/77/169101877.db2.gz JKCMEBCJXQJDGU-HTQZYQBOSA-N 0 0 141.189 2.428 10 30 AEEERN N#CCc1cc(F)cc2cc[nH]c12 44370942 169101882 /nfs/dbraw/zinc/10/18/82/169101882.db2.gz MGWGWRCIXVFIQA-UHFFFAOYSA-N 0 0 174.178 2.373 10 30 AEEERN N#CC[C@H](O)c1ccc(Cl)cc1 501183 169101937 /nfs/dbraw/zinc/10/19/37/169101937.db2.gz QSGWBYJAYXLQKS-VIFPVBQESA-N 0 0 181.622 2.287 10 30 AEEERN N#CCc1cc(Cl)ccc1C#N 75566993 169101948 /nfs/dbraw/zinc/10/19/48/169101948.db2.gz NAYVLHMBEYBALA-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN N#CCc1c[nH]c2c(C#N)cccc12 35635642 169101951 /nfs/dbraw/zinc/10/19/51/169101951.db2.gz WEVQTDPHOHBNFT-UHFFFAOYSA-N 0 0 181.198 2.106 10 30 AEEERN N#CCc1cc(Br)co1 75577036 169101953 /nfs/dbraw/zinc/10/19/53/169101953.db2.gz LKYXPNQLLMDTEQ-UHFFFAOYSA-N 0 0 186.008 2.108 10 30 AEEERN N#CC[C@H]1CCCC[C@@H]1F 44370886 169101959 /nfs/dbraw/zinc/10/19/59/169101959.db2.gz JKCMEBCJXQJDGU-SFYZADRCSA-N 0 0 141.189 2.428 10 30 AEEERN N#CCc1cc(F)c(CC#N)c(F)c1 44370639 169101993 /nfs/dbraw/zinc/10/19/93/169101993.db2.gz JVPSGEVDEUBRDE-UHFFFAOYSA-N 0 0 192.168 2.097 10 30 AEEERN N#CC[C@H]1CCCc2cccn21 38949155 169102023 /nfs/dbraw/zinc/10/20/23/169102023.db2.gz LOULAJFXJMKYFA-SNVBAGLBSA-N 0 0 160.220 2.279 10 30 AEEERN N#CCc1ccc(C#N)c(Cl)c1 44370024 169102108 /nfs/dbraw/zinc/10/21/08/169102108.db2.gz QTMFILFKGRZHHI-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN N#CC[C@H]1CNc2c(F)cccc21 71487064 169102176 /nfs/dbraw/zinc/10/21/76/169102176.db2.gz LTAMOYYVYMQHTI-ZETCQYMHSA-N 0 0 176.194 2.248 10 30 AEEERN N#CC[C@H](c1ccccc1)n1cccn1 55020727 169102189 /nfs/dbraw/zinc/10/21/89/169102189.db2.gz VGPZPBLXIRHUJS-GFCCVEGCSA-N 0 0 197.241 2.386 10 30 AEEERN N#CC[C@H](O)c1ccccc1Cl 41201852 169102373 /nfs/dbraw/zinc/10/23/73/169102373.db2.gz WGEQAWBTLBNXNK-VIFPVBQESA-N 0 0 181.622 2.287 10 30 AEEERN N#CC[C@H](O)c1ccc(Cl)cc1F 75601411 169102377 /nfs/dbraw/zinc/10/23/77/169102377.db2.gz MHFJBAWEKWIIEG-VIFPVBQESA-N 0 0 199.612 2.426 10 30 AEEERN N#CC[C@H]1C=CCCC1 5413228 169102439 /nfs/dbraw/zinc/10/24/39/169102439.db2.gz CPKHEISRUCOCDH-QMMMGPOBSA-N 0 0 121.183 2.256 10 30 AEEERN N#CCc1c[nH]c2ccc(C#N)cc12 35635627 169102510 /nfs/dbraw/zinc/10/25/10/169102510.db2.gz WISRBDHLBWKESL-UHFFFAOYSA-N 0 0 181.198 2.106 10 30 AEEERN N#CC[C@H]1CO[C@@H](c2ccccc2)O1 58520793 169102546 /nfs/dbraw/zinc/10/25/46/169102546.db2.gz WRAJHTPFKSLRAH-WDEREUQCSA-N 0 0 189.214 2.014 10 30 AEEERN N#CCc1c(O)cccc1Cl 75555623 169102564 /nfs/dbraw/zinc/10/25/64/169102564.db2.gz VTITYIXLCCDBFT-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN N#CCc1c(C#N)[nH]c2ccccc12 75570571 169102583 /nfs/dbraw/zinc/10/25/83/169102583.db2.gz UUKRQUOLBHXCCB-UHFFFAOYSA-N 0 0 181.198 2.106 10 30 AEEERN N#CCc1cc(F)c(CC#N)cc1F 44368140 169102625 /nfs/dbraw/zinc/10/26/25/169102625.db2.gz BNKYVPVHGGIISX-UHFFFAOYSA-N 0 0 192.168 2.097 10 30 AEEERN N#CCc1ccc(-c2cncnc2)cc1 16948235 169102657 /nfs/dbraw/zinc/10/26/57/169102657.db2.gz OCPXAWQMINBLJY-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN N#CCc1cc(Cl)c(Cl)cn1 95761794 169102675 /nfs/dbraw/zinc/10/26/75/169102675.db2.gz OATCOSIHUGPFRE-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN N#CCc1cc(F)cc(F)c1CC#N 44368886 169102687 /nfs/dbraw/zinc/10/26/87/169102687.db2.gz TYDYEAMGSBRRTC-UHFFFAOYSA-N 0 0 192.168 2.097 10 30 AEEERN N#CCc1c[nH]c2c(C=O)cccc12 82393416 169102700 /nfs/dbraw/zinc/10/27/00/169102700.db2.gz XYOKVFHJFQYRJR-UHFFFAOYSA-N 0 0 184.198 2.046 10 30 AEEERN N#CCc1ccc(-c2cn[nH]c2)cc1 44370644 169102703 /nfs/dbraw/zinc/10/27/03/169102703.db2.gz DAQLZQJHTGKNQT-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN N#CC[C@H]1CO[C@H](c2ccccc2)O1 58520796 169102712 /nfs/dbraw/zinc/10/27/12/169102712.db2.gz WRAJHTPFKSLRAH-QWRGUYRKSA-N 0 0 189.214 2.014 10 30 AEEERN N#CCc1c[nH]c2cccc(C#N)c12 35635621 169102744 /nfs/dbraw/zinc/10/27/44/169102744.db2.gz HQIFWDQPPPXSSO-UHFFFAOYSA-N 0 0 181.198 2.106 10 30 AEEERN N#CCc1cc(Cl)ccc1O 83593187 169102765 /nfs/dbraw/zinc/10/27/65/169102765.db2.gz LRFHVSVDMITICK-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN N#CC[C@H](O)Cc1ccc(Cl)cc1 41207189 169102832 /nfs/dbraw/zinc/10/28/32/169102832.db2.gz CIJODHCWOALCPJ-JTQLQIEISA-N 0 0 195.649 2.157 10 30 AEEERN N#CCc1ccc(Br)o1 34353924 169102870 /nfs/dbraw/zinc/10/28/70/169102870.db2.gz XOAZCTHXSBFXJC-UHFFFAOYSA-N 0 0 186.008 2.108 10 30 AEEERN N#CC[C@]1(C#N)CCc2ccccc21 103503 169102882 /nfs/dbraw/zinc/10/28/82/169102882.db2.gz QDXWDVPSKWHIDI-LBPRGKRZSA-N 0 0 182.226 2.308 10 30 AEEERN N#CCc1c(F)c(F)cc(F)c1F 44368130 169102920 /nfs/dbraw/zinc/10/29/20/169102920.db2.gz KBKLIAOMWWBCFJ-UHFFFAOYSA-N 0 0 189.111 2.309 10 30 AEEERN N#CC[C@H]1CNc2ccccc21 71487002 169102998 /nfs/dbraw/zinc/10/29/98/169102998.db2.gz QXXISAGAORFKJO-QMMMGPOBSA-N 0 0 158.204 2.109 10 30 AEEERN N#CC[C@H]1CNc2cc(F)ccc21 71487086 169103005 /nfs/dbraw/zinc/10/30/05/169103005.db2.gz BZQYMQYCZSMNIZ-ZETCQYMHSA-N 0 0 176.194 2.248 10 30 AEEERN N#CC[C@H](O)Cc1cccc(Cl)c1 41207187 169103022 /nfs/dbraw/zinc/10/30/22/169103022.db2.gz UODQPJXNYMZGPT-JTQLQIEISA-N 0 0 195.649 2.157 10 30 AEEERN N#CCc1[nH]c2ccccc2c1C=O 82393408 169103066 /nfs/dbraw/zinc/10/30/66/169103066.db2.gz YVXJLUZNQKZPJF-UHFFFAOYSA-N 0 0 184.198 2.046 10 30 AEEERN N#CC[C@H]1CO[C@H](c2cccs2)O1 57489659 169103084 /nfs/dbraw/zinc/10/30/84/169103084.db2.gz GGKDHHQTRYQVOF-CBAPKCEASA-N 0 0 195.243 2.076 10 30 AEEERN N#CC[C@H]1CO[C@@H](c2cccs2)O1 57489656 169103106 /nfs/dbraw/zinc/10/31/06/169103106.db2.gz GGKDHHQTRYQVOF-IONNQARKSA-N 0 0 195.243 2.076 10 30 AEEERN N#CCc1cccc(-c2cn[nH]c2)c1 44370524 169103372 /nfs/dbraw/zinc/10/33/72/169103372.db2.gz XRMWCHWBHVNCNC-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN N#CCc1ccc(N2CCCC2)cc1 82712924 169103420 /nfs/dbraw/zinc/10/34/20/169103420.db2.gz FYBIPZVJHPBDCT-UHFFFAOYSA-N 0 0 186.258 2.353 10 30 AEEERN N#CCc1ccc(OC(F)F)c(O)c1 83593234 169103424 /nfs/dbraw/zinc/10/34/24/169103424.db2.gz WGQYQSYAZFJQNH-UHFFFAOYSA-N 0 0 199.156 2.060 10 30 AEEERN N#CCc1nc2c(s1)CCCCC2 19486781 169103498 /nfs/dbraw/zinc/10/34/98/169103498.db2.gz LZSOJZAWGBGYRT-UHFFFAOYSA-N 0 0 192.287 2.478 10 30 AEEERN N#CCc1ccc2cccc(F)c2n1 62567260 169103551 /nfs/dbraw/zinc/10/35/51/169103551.db2.gz MROSAOPIFXXAQU-UHFFFAOYSA-N 0 0 186.189 2.440 10 30 AEEERN N#CCc1cnc2c(Cl)cccn12 82695724 169103561 /nfs/dbraw/zinc/10/35/61/169103561.db2.gz PWLAEBQGFMITRK-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1nc(-c2cc[nH]c2)cs1 71500380 169103565 /nfs/dbraw/zinc/10/35/65/169103565.db2.gz DFWKYYWHIHIXLE-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN N#CCc1cn2c(Cl)cccc2n1 74375546 169103581 /nfs/dbraw/zinc/10/35/81/169103581.db2.gz BVQVMBWNPOLFSA-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1cn(N=O)c2ccccc12 5935036 169103604 /nfs/dbraw/zinc/10/36/04/169103604.db2.gz UOOUHGJOQYHONI-UHFFFAOYSA-N 0 0 185.186 2.237 10 30 AEEERN N#CCc1ccc(Cl)nc1Cl 75577451 169103651 /nfs/dbraw/zinc/10/36/51/169103651.db2.gz ALHUEZNKFDLZHY-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN N#CCc1cnc(C2CC2)s1 82416680 169103654 /nfs/dbraw/zinc/10/36/54/169103654.db2.gz KBVGJXKTZXHTRP-UHFFFAOYSA-N 0 0 164.233 2.087 10 30 AEEERN N#CCc1cccc(-c2cc[nH]n2)c1 44368629 169103695 /nfs/dbraw/zinc/10/36/95/169103695.db2.gz FAUWBVLVQSVAFJ-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN N#CCc1cnc2cccc(Cl)n12 74375433 169103720 /nfs/dbraw/zinc/10/37/20/169103720.db2.gz MKPPPAPYPZPASF-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1ccccc1N1CCCC1 39411655 169103755 /nfs/dbraw/zinc/10/37/55/169103755.db2.gz CHTLLQMJSALBLK-UHFFFAOYSA-N 0 0 186.258 2.353 10 30 AEEERN N#CCc1cn2ccc(Cl)cc2n1 74376982 169103766 /nfs/dbraw/zinc/10/37/66/169103766.db2.gz WTIKAOGVVOXODJ-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1ccc(O)c(Cl)c1 62718307 169103779 /nfs/dbraw/zinc/10/37/79/169103779.db2.gz DYAKYYVBKAIGQI-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN N#CCc1ccc(O)c2ncccc12 38392104 169103821 /nfs/dbraw/zinc/10/38/21/169103821.db2.gz DWKVIBSCIQLUEW-UHFFFAOYSA-N 0 0 184.198 2.006 10 30 AEEERN N#CCc1ccc(O)cc1Cl 83593269 169103933 /nfs/dbraw/zinc/10/39/33/169103933.db2.gz WNHFIICTUJRSHZ-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN N#CCc1ccc(NCC(F)F)cc1 51601618 169103976 /nfs/dbraw/zinc/10/39/76/169103976.db2.gz HWTGDNYBZUBXRE-UHFFFAOYSA-N 0 0 196.200 2.430 10 30 AEEERN N#CCc1ccc2cc(F)ccc2n1 62567261 169103993 /nfs/dbraw/zinc/10/39/93/169103993.db2.gz SCBZVKGJRKTCPP-UHFFFAOYSA-N 0 0 186.189 2.440 10 30 AEEERN N#CCc1ccc(F)c(CC#N)c1F 45108147 169104011 /nfs/dbraw/zinc/10/40/11/169104011.db2.gz MVNCMPXTYSYBQM-UHFFFAOYSA-N 0 0 192.168 2.097 10 30 AEEERN N#CCc1cnc(-c2ccco2)s1 82417762 169104040 /nfs/dbraw/zinc/10/40/40/169104040.db2.gz UEBMIASLQXIQDH-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN N#CCc1ccc2c(c1)CCCO2 82529270 169104061 /nfs/dbraw/zinc/10/40/61/169104061.db2.gz UNNSGCPTKIEDIV-UHFFFAOYSA-N 0 0 173.215 2.078 10 30 AEEERN N#CCc1cccc2[nH]cc(C#N)c12 44370713 169104067 /nfs/dbraw/zinc/10/40/67/169104067.db2.gz YTNJHKLLCVKZAF-UHFFFAOYSA-N 0 0 181.198 2.106 10 30 AEEERN N#CCc1cnc2cc(Cl)ccn12 74376891 169104083 /nfs/dbraw/zinc/10/40/83/169104083.db2.gz ZOULPYNVCZLEMQ-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1cn2cccc(Cl)c2n1 82695846 169104131 /nfs/dbraw/zinc/10/41/31/169104131.db2.gz JDGOIWNNSBXQOC-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1cn2cc(Cl)ccc2n1 36221908 169104166 /nfs/dbraw/zinc/10/41/66/169104166.db2.gz LRMJABQRAYNVKS-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1ccc2ccc(F)cc2n1 62567262 169104195 /nfs/dbraw/zinc/10/41/95/169104195.db2.gz OWKNGMAIPPIFMX-UHFFFAOYSA-N 0 0 186.189 2.440 10 30 AEEERN N#CCc1ccc2ccoc2c1 39252247 169104382 /nfs/dbraw/zinc/10/43/82/169104382.db2.gz JKPFJRDAYNHDLT-UHFFFAOYSA-N 0 0 157.172 2.499 10 30 AEEERN N#CCc1coc2ccc(O)cc12 75563280 169104400 /nfs/dbraw/zinc/10/44/00/169104400.db2.gz NDLVJSNXOJHCNO-UHFFFAOYSA-N 0 0 173.171 2.204 10 30 AEEERN N#CCc1ccc(OCC(F)F)cc1 37755977 169104411 /nfs/dbraw/zinc/10/44/11/169104411.db2.gz NBZAUAUHJLZNMH-UHFFFAOYSA-N 0 0 197.184 2.397 10 30 AEEERN N#CCc1ccsc1Cl 143701645 169104460 /nfs/dbraw/zinc/10/44/60/169104460.db2.gz XHZAVOQCIGAWGL-UHFFFAOYSA-N 0 0 157.625 2.468 10 30 AEEERN N#CCc1ccc2scnc2c1 82587750 169104538 /nfs/dbraw/zinc/10/45/38/169104538.db2.gz MGITWSTWQCJLTA-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN N#CCc1nc(C2CCCCC2)no1 73641278 169104544 /nfs/dbraw/zinc/10/45/44/169104544.db2.gz CYHPSKIPRYHSAI-UHFFFAOYSA-N 0 0 191.234 2.183 10 30 AEEERN N#CCc1ccc(Cl)cc1C#N 75566991 169104562 /nfs/dbraw/zinc/10/45/62/169104562.db2.gz QWFDHDBSMSLCTR-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN N#CCc1cnc2ccc(Cl)cn12 33507397 169104621 /nfs/dbraw/zinc/10/46/21/169104621.db2.gz OPBOCRABFSEWPL-UHFFFAOYSA-N 0 0 191.621 2.054 10 30 AEEERN N#CCc1ccc(F)c2cc[nH]c12 44370937 169104655 /nfs/dbraw/zinc/10/46/55/169104655.db2.gz SJQLJLHTIVZZGF-UHFFFAOYSA-N 0 0 174.178 2.373 10 30 AEEERN N#CCc1ccc(F)c2[nH]ccc12 44370927 169104668 /nfs/dbraw/zinc/10/46/68/169104668.db2.gz BLDSKZLDWCEZBB-UHFFFAOYSA-N 0 0 174.178 2.373 10 30 AEEERN N#CCc1ccc(Cl)cc1CC#N 44369288 169104798 /nfs/dbraw/zinc/10/47/98/169104798.db2.gz VEJJTPJDYWFTGS-UHFFFAOYSA-N 0 0 190.633 2.472 10 30 AEEERN N#CCn1ccc2ccccc21 39095540 169105087 /nfs/dbraw/zinc/10/50/87/169105087.db2.gz HNOQGHCFHGIUHC-UHFFFAOYSA-N 0 0 156.188 2.165 10 30 AEEERN N#CCc1ncc(-c2ccccc2)o1 40543114 169105283 /nfs/dbraw/zinc/10/52/83/169105283.db2.gz HQPRFQMTHNXKMD-UHFFFAOYSA-N 0 0 184.198 2.408 10 30 AEEERN N#CCn1c(Cl)nc2ccccc21 75580416 169105716 /nfs/dbraw/zinc/10/57/16/169105716.db2.gz UPZFYSQRYYWUIP-UHFFFAOYSA-N 0 0 191.621 2.213 10 30 AEEERN N#CCc1noc(C2CCCCC2)n1 71505723 169106111 /nfs/dbraw/zinc/10/61/11/169106111.db2.gz NKPFUIWSOKQRQT-UHFFFAOYSA-N 0 0 191.234 2.183 10 30 AEEERN N#CCn1ccnc1-c1cccs1 45048358 169106233 /nfs/dbraw/zinc/10/62/33/169106233.db2.gz VVDXALVUJAIOBU-UHFFFAOYSA-N 0 0 189.243 2.135 10 30 AEEERN N#CCn1ccnc1-c1ccccc1 40228379 169106438 /nfs/dbraw/zinc/10/64/38/169106438.db2.gz NFKNKTNPNXIKEJ-UHFFFAOYSA-N 0 0 183.214 2.074 10 30 AEEERN N#CCc1ncc(-c2ccco2)o1 40543108 169106492 /nfs/dbraw/zinc/10/64/92/169106492.db2.gz VUSIENRKLOGXSM-UHFFFAOYSA-N 0 0 174.159 2.001 10 30 AEEERN N#CCn1ccc2ccc3c(c21)CCO3 79873264 169106518 /nfs/dbraw/zinc/10/65/18/169106518.db2.gz WVKQMLJMFUSTDF-UHFFFAOYSA-N 0 0 198.225 2.100 10 30 AEEERN N#CCc1noc2ccc(F)cc12 75565868 169106549 /nfs/dbraw/zinc/10/65/49/169106549.db2.gz GTXIUKGSALJAIW-UHFFFAOYSA-N 0 0 176.150 2.033 10 30 AEEERN N#CCc1ncc(-c2cccs2)o1 40543111 169106623 /nfs/dbraw/zinc/10/66/23/169106623.db2.gz BVYMAVNOJDHDOV-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN N#C[C@@H]1CC[C@@H](C#N)N1c1ccccc1 75599954 169107511 /nfs/dbraw/zinc/10/75/11/169107511.db2.gz SJUHSSIKDXXXDD-RYUDHWBXSA-N 0 0 197.241 2.071 10 30 AEEERN N#C[C@@H]1CCCCC[C@H]1SCCO 36336087 169107611 /nfs/dbraw/zinc/10/76/11/169107611.db2.gz GEENRVREHZHUTM-VHSXEESVSA-N 0 0 199.319 2.184 10 30 AEEERN N#C[C@@H]1CCCc2cccc(N)c21 95775724 169107654 /nfs/dbraw/zinc/10/76/54/169107654.db2.gz ILLPOFKKLABYHW-VIFPVBQESA-N 0 0 172.231 2.212 10 30 AEEERN N#C[C@@H]1CN=C(c2ccccc2)C1 39203360 169107715 /nfs/dbraw/zinc/10/77/15/169107715.db2.gz VELGLBWQTZMVOR-SECBINFHSA-N 0 0 170.215 2.019 10 30 AEEERN N#C[C@@H]1CCC[C@H]1NCc1ccco1 54824439 169107840 /nfs/dbraw/zinc/10/78/40/169107840.db2.gz MPYLQEALWYRBQE-GXSJLCMTSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@@H]1CCCCC[C@@H]1SCCO 36336089 169107981 /nfs/dbraw/zinc/10/79/81/169107981.db2.gz GEENRVREHZHUTM-UWVGGRQHSA-N 0 0 199.319 2.184 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccco1 54824440 169107993 /nfs/dbraw/zinc/10/79/93/169107993.db2.gz MPYLQEALWYRBQE-ONGXEEELSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@@H]1CCc2cccc(F)c2C1 57935791 169108003 /nfs/dbraw/zinc/10/80/03/169108003.db2.gz ITEONZFTVUGDBQ-MRVPVSSYSA-N 0 0 175.206 2.454 10 30 AEEERN N#C[C@@H]1CCc2ccc(F)cc21 41167625 169108110 /nfs/dbraw/zinc/10/81/10/169108110.db2.gz PNRSIUOXVWAVSI-QMMMGPOBSA-N 0 0 161.179 2.379 10 30 AEEERN N#C[C@@H]1CCOc2c(F)cccc21 41199713 169108112 /nfs/dbraw/zinc/10/81/12/169108112.db2.gz CKNAMJNAAMYGHX-ZETCQYMHSA-N 0 0 177.178 2.215 10 30 AEEERN N#C[C@@H]1CCOc2ccc(F)cc21 34275866 169108171 /nfs/dbraw/zinc/10/81/71/169108171.db2.gz JDFQNZDJDTWUBM-ZETCQYMHSA-N 0 0 177.178 2.215 10 30 AEEERN N#C[C@@H]1CCCC[C@@H]1n1cccn1 37147305 169108205 /nfs/dbraw/zinc/10/82/05/169108205.db2.gz JQMWZKQNRDIHNZ-UWVGGRQHSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@@H]1CNc2c(Cl)cccc21 71486979 169108306 /nfs/dbraw/zinc/10/83/06/169108306.db2.gz XZIFQPHTBYSTSE-ZCFIWIBFSA-N 0 0 178.622 2.373 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1n1cccn1 37147304 169108331 /nfs/dbraw/zinc/10/83/31/169108331.db2.gz JQMWZKQNRDIHNZ-VHSXEESVSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@@H]1CNc2ccc(Cl)cc21 71486932 169108395 /nfs/dbraw/zinc/10/83/95/169108395.db2.gz JMZSECQLOMXEGS-ZCFIWIBFSA-N 0 0 178.622 2.373 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1n1cc(Cl)cn1 38053500 169108403 /nfs/dbraw/zinc/10/84/03/169108403.db2.gz FDRMOUMMXXMDBM-CBAPKCEASA-N 0 0 195.653 2.401 10 30 AEEERN N#C[C@@H]1CCCN1c1ccccc1 95931856 169108443 /nfs/dbraw/zinc/10/84/43/169108443.db2.gz QKEOPTKETLAKQP-NSHDSACASA-N 0 0 172.231 2.179 10 30 AEEERN N#C[C@@H]1CCCOc2ccccc21 62566762 169108493 /nfs/dbraw/zinc/10/84/93/169108493.db2.gz UKHWCRQCVCLSHY-VIFPVBQESA-N 0 0 173.215 2.466 10 30 AEEERN N#C[C@@H]1CNc2cc(Cl)ccc21 71486949 169108535 /nfs/dbraw/zinc/10/85/35/169108535.db2.gz RJLJHYMUJRWOLK-ZCFIWIBFSA-N 0 0 178.622 2.373 10 30 AEEERN N#C[C@@H]1CCc2cc(F)ccc2C1 57935788 169108590 /nfs/dbraw/zinc/10/85/90/169108590.db2.gz LVPZDBSCQYQPLB-MRVPVSSYSA-N 0 0 175.206 2.454 10 30 AEEERN N#C[C@@H]1CCC[C@H]1n1cc(Cl)cn1 38053499 169108597 /nfs/dbraw/zinc/10/85/97/169108597.db2.gz FDRMOUMMXXMDBM-IONNQARKSA-N 0 0 195.653 2.401 10 30 AEEERN N#C[C@@H]1CCCC[C@H]1n1ccnc1 37147376 169108614 /nfs/dbraw/zinc/10/86/14/169108614.db2.gz DRRAVIWWNNEIFH-VHSXEESVSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@@H]1CCCc2sc(N)cc21 100096170 169108719 /nfs/dbraw/zinc/10/87/19/169108719.db2.gz YFSOWLFQPGTDOL-LURJTMIESA-N 0 0 178.260 2.274 10 30 AEEERN N#C[C@@H]1CCCC[C@@H]1n1ccnc1 37147377 169109079 /nfs/dbraw/zinc/10/90/79/169109079.db2.gz DRRAVIWWNNEIFH-UWVGGRQHSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@H](CCO)c1ccccc1Cl 49811563 169109357 /nfs/dbraw/zinc/10/93/57/169109357.db2.gz QJUXVBKYTUTPFM-QMMMGPOBSA-N 0 0 195.649 2.330 10 30 AEEERN N#C[C@@H]1C[C@H](C2CCCCC2)OC1=O 104833062 169109498 /nfs/dbraw/zinc/10/94/98/169109498.db2.gz CSWFNXYCOMSCDP-VHSXEESVSA-N 0 0 193.246 2.022 10 30 AEEERN N#C[C@@H]1C[C@H]1c1ccc2c(c1)OCO2 41203723 169109541 /nfs/dbraw/zinc/10/95/41/169109541.db2.gz WEHKTPUFYKVWKB-IUCAKERBSA-N 0 0 187.198 2.042 10 30 AEEERN N#C[C@@H]1C[C@@H]1c1ccccc1F 39088906 169109564 /nfs/dbraw/zinc/10/95/64/169109564.db2.gz KZHGWSPNCHGZSX-CBAPKCEASA-N 0 0 161.179 2.453 10 30 AEEERN N#C[C@@H]1C[C@@H]1c1ccc2c(c1)OCO2 41203726 169109575 /nfs/dbraw/zinc/10/95/75/169109575.db2.gz WEHKTPUFYKVWKB-DTWKUNHWSA-N 0 0 187.198 2.042 10 30 AEEERN N#C[C@@H]1C[C@@H](C2CCCCC2)OC1=O 104833059 169109595 /nfs/dbraw/zinc/10/95/95/169109595.db2.gz CSWFNXYCOMSCDP-UWVGGRQHSA-N 0 0 193.246 2.022 10 30 AEEERN N#C[C@@H]1C[C@@]2(CN1)CC1CCC2CC1 39602400 169109608 /nfs/dbraw/zinc/10/96/08/169109608.db2.gz YANRVTPAKOGLQO-MMVSWEMESA-N 0 0 190.290 2.068 10 30 AEEERN N#C[C@@]1(N)CCSC2(CCCC2)C1 82385568 169109629 /nfs/dbraw/zinc/10/96/29/169109629.db2.gz DHXNUIFYKNWAPI-SECBINFHSA-N 0 0 196.319 2.047 10 30 AEEERN N#C[C@@H]1OCCc2ccc(Cl)cc21 6335302 169109698 /nfs/dbraw/zinc/10/96/98/169109698.db2.gz KCTOQIDLMHJLBK-JTQLQIEISA-N 0 0 193.633 2.477 10 30 AEEERN N#C[C@@H]1C[C@]2(CN1)CC1CCC2CC1 39602399 169109812 /nfs/dbraw/zinc/10/98/12/169109812.db2.gz YANRVTPAKOGLQO-QQFIATSDSA-N 0 0 190.290 2.068 10 30 AEEERN N#C[C@H](CCO)c1ccc(Cl)cc1 49811567 169109848 /nfs/dbraw/zinc/10/98/48/169109848.db2.gz AYCVLZBVIUZASI-VIFPVBQESA-N 0 0 195.649 2.330 10 30 AEEERN N#C[C@@]1(c2ccccc2)CCC(=O)C1 75576880 169109867 /nfs/dbraw/zinc/10/98/67/169109867.db2.gz XQRHZWLLYHCYQW-GFCCVEGCSA-N 0 0 185.226 2.201 10 30 AEEERN N#C[C@@]12CCCC[C@@H]1CCC(=O)C2 75567857 169109876 /nfs/dbraw/zinc/10/98/76/169109876.db2.gz PPBNRZWRDONNJO-KOLCDFICSA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@H](CCO)c1cccc(Cl)c1 49811565 169109908 /nfs/dbraw/zinc/10/99/08/169109908.db2.gz DYZWIJNWOIBGRX-VIFPVBQESA-N 0 0 195.649 2.330 10 30 AEEERN N#C[C@@H]1C[C@H]1c1cccs1 41167099 169110098 /nfs/dbraw/zinc/11/00/98/169110098.db2.gz XVZDVOVAZCTLRW-NKWVEPMBSA-N 0 0 149.218 2.375 10 30 AEEERN N#C[C@@]12CC=CC[C@]1(C#N)CC2 62715916 169110135 /nfs/dbraw/zinc/11/01/35/169110135.db2.gz NGPPIQJJAJBDAK-AOOOYVTPSA-N 0 0 158.204 2.150 10 30 AEEERN N#C[C@@]12CCCC[C@H]1CCC(=O)C2 75567850 169110170 /nfs/dbraw/zinc/11/01/70/169110170.db2.gz PPBNRZWRDONNJO-ONGXEEELSA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@@]12CC=CC[C@@]1(C#N)CC2 62715919 169110234 /nfs/dbraw/zinc/11/02/34/169110234.db2.gz NGPPIQJJAJBDAK-UWVGGRQHSA-N 0 0 158.204 2.150 10 30 AEEERN N#C[C@H](C1CC1)N1CCCCCC1 41047668 169110398 /nfs/dbraw/zinc/11/03/98/169110398.db2.gz RTPWBHCECIWDRW-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN N#C[C@@H]1Cc2ccc(Cl)cc2C1=O 74271133 169110440 /nfs/dbraw/zinc/11/04/40/169110440.db2.gz ARRNMFGENAGWRF-ZETCQYMHSA-N 0 0 191.617 2.219 10 30 AEEERN N#C[C@@]1(N)CCCCc2ccccc21 22219680 169110531 /nfs/dbraw/zinc/11/05/31/169110531.db2.gz RJZWTBFKOQGPFY-LBPRGKRZSA-N 0 0 186.258 2.091 10 30 AEEERN N#C[C@@]1(Cl)C[C@@H]2C=C[C@H]1C2 17313240 169110592 /nfs/dbraw/zinc/11/05/92/169110592.db2.gz UCYKNDOOVFKJKU-CSMHCCOUSA-N 0 0 153.612 2.084 10 30 AEEERN N#C[C@@H]1C[C@@H]1c1cccs1 41167101 169110653 /nfs/dbraw/zinc/11/06/53/169110653.db2.gz XVZDVOVAZCTLRW-BQBZGAKWSA-N 0 0 149.218 2.375 10 30 AEEERN N#C[C@H](C=O)c1c(F)cccc1Cl 37354625 169110675 /nfs/dbraw/zinc/11/06/75/169110675.db2.gz MNPKSRSURXEZDB-ZCFIWIBFSA-N 0 0 197.596 2.285 10 30 AEEERN N#C[C@@H]1C[C@H]1c1ccccc1F 39088905 169110696 /nfs/dbraw/zinc/11/06/96/169110696.db2.gz KZHGWSPNCHGZSX-IONNQARKSA-N 0 0 161.179 2.453 10 30 AEEERN N#C[C@@H]1Cc2cc(Cl)ccc2C1=O 36404678 169110711 /nfs/dbraw/zinc/11/07/11/169110711.db2.gz FWVKRXBKCNQAPL-ZETCQYMHSA-N 0 0 191.617 2.219 10 30 AEEERN N#C[C@H](C=O)c1ccccc1Cl 44268152 169110726 /nfs/dbraw/zinc/11/07/26/169110726.db2.gz OQJQMYYULSCEEE-SSDOTTSWSA-N 0 0 179.606 2.146 10 30 AEEERN N#C[C@@H]1Cc2ccccc2S1 86097880 169110732 /nfs/dbraw/zinc/11/07/32/169110732.db2.gz PXHBHZRDGJISEL-QMMMGPOBSA-N 0 0 161.229 2.227 10 30 AEEERN N#C[C@@]12CCC[C@@H](CC(=O)C1)C2 39251150 169110819 /nfs/dbraw/zinc/11/08/19/169110819.db2.gz DERAJZNLWHUIQG-WCBMZHEXSA-N 0 0 163.220 2.049 10 30 AEEERN N#C[C@@H]1C[C@@H]1c1ccc(F)cc1 39088888 169110824 /nfs/dbraw/zinc/11/08/24/169110824.db2.gz OVPOMMOAYYSVOO-WCBMZHEXSA-N 0 0 161.179 2.453 10 30 AEEERN N#C[C@H]1CCCOc2ccccc21 62566764 169111250 /nfs/dbraw/zinc/11/12/50/169111250.db2.gz UKHWCRQCVCLSHY-SECBINFHSA-N 0 0 173.215 2.466 10 30 AEEERN N#C[C@H]1CCCC[C@H]1n1ccnc1 37147374 169111303 /nfs/dbraw/zinc/11/13/03/169111303.db2.gz DRRAVIWWNNEIFH-NXEZZACHSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@H]1CCC[C@@H]1NCc1ccco1 54824438 169111332 /nfs/dbraw/zinc/11/13/32/169111332.db2.gz MPYLQEALWYRBQE-KOLCDFICSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@H]1CCCc2sc(N)cc21 100096169 169111431 /nfs/dbraw/zinc/11/14/31/169111431.db2.gz YFSOWLFQPGTDOL-ZCFIWIBFSA-N 0 0 178.260 2.274 10 30 AEEERN N#C[C@H]1CCCC[C@@H]1n1ccnc1 37147375 169111496 /nfs/dbraw/zinc/11/14/96/169111496.db2.gz DRRAVIWWNNEIFH-ZJUUUORDSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@H]1CCC[C@@H]1n1cc(Cl)cn1 38053498 169111582 /nfs/dbraw/zinc/11/15/82/169111582.db2.gz FDRMOUMMXXMDBM-APPZFPTMSA-N 0 0 195.653 2.401 10 30 AEEERN N#C[C@H]1CCC[C@H]1n1cc(Cl)cn1 38053497 169111705 /nfs/dbraw/zinc/11/17/05/169111705.db2.gz FDRMOUMMXXMDBM-VXNVDRBHSA-N 0 0 195.653 2.401 10 30 AEEERN N#C[C@H]1CCCC[C@H]1n1cccn1 37147302 169111711 /nfs/dbraw/zinc/11/17/11/169111711.db2.gz JQMWZKQNRDIHNZ-NXEZZACHSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@H]1CCc2cc(F)ccc2C1 57935785 169111758 /nfs/dbraw/zinc/11/17/58/169111758.db2.gz LVPZDBSCQYQPLB-QMMMGPOBSA-N 0 0 175.206 2.454 10 30 AEEERN N#C[C@H]1CCCCC[C@H]1SCCO 36336086 169111789 /nfs/dbraw/zinc/11/17/89/169111789.db2.gz GEENRVREHZHUTM-NXEZZACHSA-N 0 0 199.319 2.184 10 30 AEEERN N#C[C@H]1CCc2ccc(F)cc21 41167627 169111806 /nfs/dbraw/zinc/11/18/06/169111806.db2.gz PNRSIUOXVWAVSI-MRVPVSSYSA-N 0 0 161.179 2.379 10 30 AEEERN N#C[C@H]1CC(=O)c2cccc(F)c21 58518682 169111843 /nfs/dbraw/zinc/11/18/43/169111843.db2.gz AGZUVJNDQUHZPX-ZCFIWIBFSA-N 0 0 175.162 2.019 10 30 AEEERN N#C[C@H]1CCOc2c(F)cccc21 41199710 169111898 /nfs/dbraw/zinc/11/18/98/169111898.db2.gz CKNAMJNAAMYGHX-SSDOTTSWSA-N 0 0 177.178 2.215 10 30 AEEERN N#C[C@H]1CCCC[C@@H]1n1cccn1 37147303 169111963 /nfs/dbraw/zinc/11/19/63/169111963.db2.gz JQMWZKQNRDIHNZ-ZJUUUORDSA-N 0 0 175.235 2.138 10 30 AEEERN N#C[C@H]1CC=CCN1Cc1ccccc1 75600851 169112011 /nfs/dbraw/zinc/11/20/11/169112011.db2.gz JKLIRFYWCQFOQE-CYBMUJFWSA-N 0 0 198.269 2.341 10 30 AEEERN N#C[C@H]1CCCc2cccc(N)c21 95775726 169112136 /nfs/dbraw/zinc/11/21/36/169112136.db2.gz ILLPOFKKLABYHW-SECBINFHSA-N 0 0 172.231 2.212 10 30 AEEERN N#C[C@H]1CCOc2ccc(F)cc21 34275867 169112161 /nfs/dbraw/zinc/11/21/61/169112161.db2.gz JDFQNZDJDTWUBM-SSDOTTSWSA-N 0 0 177.178 2.215 10 30 AEEERN N#C[C@H]1CC[C@H](C#N)N1c1ccccc1 75599953 169112194 /nfs/dbraw/zinc/11/21/94/169112194.db2.gz SJUHSSIKDXXXDD-VXGBXAGGSA-N 0 0 197.241 2.071 10 30 AEEERN N#C[C@H]1CCCCC[C@@H]1SCCO 36336088 169112281 /nfs/dbraw/zinc/11/22/81/169112281.db2.gz GEENRVREHZHUTM-ZJUUUORDSA-N 0 0 199.319 2.184 10 30 AEEERN N#C[C@H]1CCC[C@H]1NCc1ccco1 54824437 169112285 /nfs/dbraw/zinc/11/22/85/169112285.db2.gz MPYLQEALWYRBQE-MWLCHTKSSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@H]1CCc2cccc(F)c2C1 57935792 169112593 /nfs/dbraw/zinc/11/25/93/169112593.db2.gz ITEONZFTVUGDBQ-QMMMGPOBSA-N 0 0 175.206 2.454 10 30 AEEERN N#C[C@H]1CCCN1c1ccccc1 95931855 169112624 /nfs/dbraw/zinc/11/26/24/169112624.db2.gz QKEOPTKETLAKQP-LLVKDONJSA-N 0 0 172.231 2.179 10 30 AEEERN N#C[C@H]1CC(=O)c2cc(F)ccc21 58518674 169112665 /nfs/dbraw/zinc/11/26/65/169112665.db2.gz HEZYJDIZBCEEAR-ZCFIWIBFSA-N 0 0 175.162 2.019 10 30 AEEERN N#C[C@H]1C[C@@H](C#N)[C@H]2CCC[C@@H]12 39111750 169112810 /nfs/dbraw/zinc/11/28/10/169112810.db2.gz MOKMNFXSPDDQEL-FIRGSJFUSA-N 0 0 160.220 2.086 10 30 AEEERN N#C[C@H]1C[C@H]1c1ccc2c(c1)OCO2 41203717 169112825 /nfs/dbraw/zinc/11/28/25/169112825.db2.gz WEHKTPUFYKVWKB-BDAKNGLRSA-N 0 0 187.198 2.042 10 30 AEEERN N#C[C@]1(N)CCSC2(CCCC2)C1 82385567 169112872 /nfs/dbraw/zinc/11/28/72/169112872.db2.gz DHXNUIFYKNWAPI-VIFPVBQESA-N 0 0 196.319 2.047 10 30 AEEERN N#C[C@H]1C[C@]2(CN1)CC1CCC2CC1 39602396 169112899 /nfs/dbraw/zinc/11/28/99/169112899.db2.gz YANRVTPAKOGLQO-HCWSGVFWSA-N 0 0 190.290 2.068 10 30 AEEERN N#C[C@H]1C[C@H]1c1ccccc1F 39088903 169112991 /nfs/dbraw/zinc/11/29/91/169112991.db2.gz KZHGWSPNCHGZSX-VXNVDRBHSA-N 0 0 161.179 2.453 10 30 AEEERN N#C[C@H]1Cc2ccc(Cl)cc2C1=O 74271134 169113006 /nfs/dbraw/zinc/11/30/06/169113006.db2.gz ARRNMFGENAGWRF-SSDOTTSWSA-N 0 0 191.617 2.219 10 30 AEEERN N#C[C@]1(c2ccccc2)CCC(=O)C1 75576881 169113077 /nfs/dbraw/zinc/11/30/77/169113077.db2.gz XQRHZWLLYHCYQW-LBPRGKRZSA-N 0 0 185.226 2.201 10 30 AEEERN N#C[C@H]1Cc2ccccc2S1 86097876 169113091 /nfs/dbraw/zinc/11/30/91/169113091.db2.gz PXHBHZRDGJISEL-MRVPVSSYSA-N 0 0 161.229 2.227 10 30 AEEERN N#C[C@H]1Cc2cc(Cl)ccc2C1=O 36404677 169113098 /nfs/dbraw/zinc/11/30/98/169113098.db2.gz FWVKRXBKCNQAPL-SSDOTTSWSA-N 0 0 191.617 2.219 10 30 AEEERN N#Cc1[nH]cc2ccccc12 24739063 169113126 /nfs/dbraw/zinc/11/31/26/169113126.db2.gz WPQADZONFSTHKV-UHFFFAOYSA-N 0 0 142.161 2.040 10 30 AEEERN N#C[C@H]1CNc2ccc(Cl)cc21 71486934 169113149 /nfs/dbraw/zinc/11/31/49/169113149.db2.gz JMZSECQLOMXEGS-LURJTMIESA-N 0 0 178.622 2.373 10 30 AEEERN N#C[C@]12CCCC[C@H]1CCC(=O)C2 75567847 169113162 /nfs/dbraw/zinc/11/31/62/169113162.db2.gz PPBNRZWRDONNJO-GXSJLCMTSA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@H]1C[C@@H]1c1ccccc1F 39088904 169113194 /nfs/dbraw/zinc/11/31/94/169113194.db2.gz KZHGWSPNCHGZSX-APPZFPTMSA-N 0 0 161.179 2.453 10 30 AEEERN N#C[C@H]1C[C@@H](C2CCCCC2)OC1=O 104833051 169113210 /nfs/dbraw/zinc/11/32/10/169113210.db2.gz CSWFNXYCOMSCDP-ZJUUUORDSA-N 0 0 193.246 2.022 10 30 AEEERN N#C[C@]12CCCC[C@@H]1CCC(=O)C2 75567852 169113252 /nfs/dbraw/zinc/11/32/52/169113252.db2.gz PPBNRZWRDONNJO-MWLCHTKSSA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@H]1C[C@@H](C#N)[C@H]2CCC[C@H]12 39111751 169113295 /nfs/dbraw/zinc/11/32/95/169113295.db2.gz MOKMNFXSPDDQEL-UTINFBMNSA-N 0 0 160.220 2.086 10 30 AEEERN N#C[C@H]1OCCc2ccc(Cl)cc21 2535406 169113298 /nfs/dbraw/zinc/11/32/98/169113298.db2.gz KCTOQIDLMHJLBK-SNVBAGLBSA-N 0 0 193.633 2.477 10 30 AEEERN N#C[C@H]1C[C@@H]1c1cccs1 41167097 169113401 /nfs/dbraw/zinc/11/34/01/169113401.db2.gz XVZDVOVAZCTLRW-RQJHMYQMSA-N 0 0 149.218 2.375 10 30 AEEERN N#C[C@]1(N)CCCCc2ccccc21 22219677 169113480 /nfs/dbraw/zinc/11/34/80/169113480.db2.gz RJZWTBFKOQGPFY-GFCCVEGCSA-N 0 0 186.258 2.091 10 30 AEEERN N#C[C@]1(Cl)C[C@@H]2C=C[C@H]1C2 17313238 169113529 /nfs/dbraw/zinc/11/35/29/169113529.db2.gz UCYKNDOOVFKJKU-GJMOJQLCSA-N 0 0 153.612 2.084 10 30 AEEERN N#C[C@H]1C[C@H](C2CCCCC2)OC1=O 104833055 169113593 /nfs/dbraw/zinc/11/35/93/169113593.db2.gz CSWFNXYCOMSCDP-NXEZZACHSA-N 0 0 193.246 2.022 10 30 AEEERN N#C[C@H]1C[C@@H](C#N)[C@@H]2CCC[C@@H]12 39111748 169113682 /nfs/dbraw/zinc/11/36/82/169113682.db2.gz MOKMNFXSPDDQEL-JXUBOQSCSA-N 0 0 160.220 2.086 10 30 AEEERN N#C[C@H]1C[C@@H]1c1ccc2c(c1)OCO2 41203720 169113703 /nfs/dbraw/zinc/11/37/03/169113703.db2.gz WEHKTPUFYKVWKB-RKDXNWHRSA-N 0 0 187.198 2.042 10 30 AEEERN N#C[C@H]1C[C@@]2(CN1)CC1CCC2CC1 39602398 169113748 /nfs/dbraw/zinc/11/37/48/169113748.db2.gz YANRVTPAKOGLQO-KIDURHIOSA-N 0 0 190.290 2.068 10 30 AEEERN N#C[C@H]1C[C@@H](C#N)[C@@H]2CCC[C@H]12 39111749 169113785 /nfs/dbraw/zinc/11/37/85/169113785.db2.gz MOKMNFXSPDDQEL-YNFQOJQRSA-N 0 0 160.220 2.086 10 30 AEEERN N#C[C@H]1CNc2cc(Cl)ccc21 71486947 169113792 /nfs/dbraw/zinc/11/37/92/169113792.db2.gz RJLJHYMUJRWOLK-LURJTMIESA-N 0 0 178.622 2.373 10 30 AEEERN N#C[C@H]1C[C@H]1c1cccs1 41167095 169113811 /nfs/dbraw/zinc/11/38/11/169113811.db2.gz XVZDVOVAZCTLRW-RNFRBKRXSA-N 0 0 149.218 2.375 10 30 AEEERN N#C[C@H]1CNc2c(Cl)cccc21 71486977 169113849 /nfs/dbraw/zinc/11/38/49/169113849.db2.gz XZIFQPHTBYSTSE-LURJTMIESA-N 0 0 178.622 2.373 10 30 AEEERN N#Cc1c(Cl)cncc1OC1CC1 95734942 169114047 /nfs/dbraw/zinc/11/40/47/169114047.db2.gz LHDCLHMFKPGQMC-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1c(CO)ccc2ccccc12 205455446 169114089 /nfs/dbraw/zinc/11/40/89/169114089.db2.gz OBIQRGOTKSFCCH-UHFFFAOYSA-N 0 0 183.210 2.204 10 30 AEEERN N#Cc1c(Cl)nc2ccc[nH]c1-2 13490308 169114174 /nfs/dbraw/zinc/11/41/74/169114174.db2.gz CLQUXKSGTJBXKW-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1c(Cl)ncc(F)c1Cl 21992326 169114320 /nfs/dbraw/zinc/11/43/20/169114320.db2.gz XICOXWIFDRBQFQ-UHFFFAOYSA-N 0 0 190.992 2.399 10 30 AEEERN N#Cc1c(-c2cccs2)c[nH]c1N 82530231 169114470 /nfs/dbraw/zinc/11/44/70/169114470.db2.gz OQSPWKQPMCCDRX-UHFFFAOYSA-N 0 0 189.243 2.197 10 30 AEEERN N#Cc1[nH]ccc1OCc1ccccc1 206135396 169114565 /nfs/dbraw/zinc/11/45/65/169114565.db2.gz XVYZQAWBUIUEBR-UHFFFAOYSA-N 0 0 198.225 2.465 10 30 AEEERN N#Cc1cc(C(F)(F)F)cc(F)n1 118667657 169114678 /nfs/dbraw/zinc/11/46/78/169114678.db2.gz ZRGDIUBTVLGVEP-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN N#Cc1cc(-c2ccc(F)cc2)[nH]n1 32007963 169114781 /nfs/dbraw/zinc/11/47/81/169114781.db2.gz DHJQCLRMJIHUFM-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN N#Cc1c[nH]c(-c2cccs2)n1 26989426 169114822 /nfs/dbraw/zinc/11/48/22/169114822.db2.gz PWVWHONCDDLZRN-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN N#Cc1c(OC2CC2)ccnc1Cl 95734951 169114844 /nfs/dbraw/zinc/11/48/44/169114844.db2.gz KJFKFRAUSDDRPY-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1cc(-c2ccccc2)[nH]c1N 21888 169114851 /nfs/dbraw/zinc/11/48/51/169114851.db2.gz CTSMJYPLCHWDDN-UHFFFAOYSA-N 0 0 183.214 2.136 10 30 AEEERN N#Cc1c[nH]c(Cl)c1Cl 45802883 169115092 /nfs/dbraw/zinc/11/50/92/169115092.db2.gz WURKJCCLHBBFLW-UHFFFAOYSA-N 0 0 160.991 2.193 10 30 AEEERN N#Cc1cc(-c2cccs2)oc1N 33464712 169115413 /nfs/dbraw/zinc/11/54/13/169115413.db2.gz HVRSVJHGAJJEAP-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN N#Cc1cc(C(=O)C2CC2)ccc1F 32008163 169115499 /nfs/dbraw/zinc/11/54/99/169115499.db2.gz SGSDPWNXCXPINW-UHFFFAOYSA-N 0 0 189.189 2.290 10 30 AEEERN N#Cc1cc(C2CCC2)ccn1 211528768 169115548 /nfs/dbraw/zinc/11/55/48/169115548.db2.gz YDNLUZUGESMNRQ-UHFFFAOYSA-N 0 0 158.204 2.221 10 30 AEEERN N#Cc1cc(-c2ccccc2F)no1 58520657 169115635 /nfs/dbraw/zinc/11/56/35/169115635.db2.gz PSKWVPFOMHHYOF-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1cc(-c2cc[nH]n2)ccc1F 75847069 169115667 /nfs/dbraw/zinc/11/56/67/169115667.db2.gz XBKZTEAAXZNPPE-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN N#Cc1cc(C=O)c2occc2c1 82400693 169115785 /nfs/dbraw/zinc/11/57/85/169115785.db2.gz LYUADUUEMZEJPS-UHFFFAOYSA-N 0 0 171.155 2.117 10 30 AEEERN N#Cc1cc(C#N)cc(C(F)(F)F)c1 49588120 169115786 /nfs/dbraw/zinc/11/57/86/169115786.db2.gz OYGZUDAXYHGGFT-UHFFFAOYSA-N 0 0 196.131 2.449 10 30 AEEERN N#Cc1cc(-c2cccs2)[nH]c1N 71500378 169115927 /nfs/dbraw/zinc/11/59/27/169115927.db2.gz HLPNKJAHJLNMCV-UHFFFAOYSA-N 0 0 189.243 2.197 10 30 AEEERN N#Cc1cc(-n2cccc2)ccc1F 51638318 169115933 /nfs/dbraw/zinc/11/59/33/169115933.db2.gz JXYQXQWTMIWOGF-UHFFFAOYSA-N 0 0 186.189 2.488 10 30 AEEERN N#Cc1cc(-c2cccs2)on1 32006863 169115953 /nfs/dbraw/zinc/11/59/53/169115953.db2.gz LBNLOLSBDOCZEU-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN N#Cc1cc(F)c2ncccc2c1 82768577 169116405 /nfs/dbraw/zinc/11/64/05/169116405.db2.gz RADNSKFXDDCHIU-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN N#Cc1cc(N)ccc1OC1CCC1 50519053 169116496 /nfs/dbraw/zinc/11/64/96/169116496.db2.gz CXJXAXYTAOPISN-UHFFFAOYSA-N 0 0 188.230 2.072 10 30 AEEERN N#Cc1cc(Cl)c2c[nH]nc2c1 42689650 169116548 /nfs/dbraw/zinc/11/65/48/169116548.db2.gz LZAOGFFINHGIEF-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1cc(Cl)c(C#N)cc1F 3607187 169116636 /nfs/dbraw/zinc/11/66/36/169116636.db2.gz IYYZABXJJZVVCE-UHFFFAOYSA-N 0 0 180.569 2.222 10 30 AEEERN N#Cc1cc(Cl)c2n[nH]cc2c1 89197257 169116759 /nfs/dbraw/zinc/11/67/59/169116759.db2.gz RVEABSZATGDAHO-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1cc(F)nc2ccccc12 163845174 169116783 /nfs/dbraw/zinc/11/67/83/169116783.db2.gz IMQCODQSTSFYDO-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN N#Cc1cc(F)cc2cnccc12 82768427 169116838 /nfs/dbraw/zinc/11/68/38/169116838.db2.gz ITQBNTIAAQJZIT-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN N#Cc1cc(F)cc(OC2CC2)c1 95734985 169116848 /nfs/dbraw/zinc/11/68/48/169116848.db2.gz OAGGVOCERCMKAS-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1cc(Cl)c(OC2CC2)cn1 95736523 169116943 /nfs/dbraw/zinc/11/69/43/169116943.db2.gz UKVLXSSJUAPVKE-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1cc(F)ccc1OC1CC1 95734987 169117121 /nfs/dbraw/zinc/11/71/21/169117121.db2.gz PRKFYUPWIGLRIH-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1cc(CC2CC2)ccc1O 95722846 169117127 /nfs/dbraw/zinc/11/71/27/169117127.db2.gz WCSRRQNDTPUXSW-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN N#Cc1cc(N)ccc1NC1CCC1 52207727 169117156 /nfs/dbraw/zinc/11/71/56/169117156.db2.gz MFHGPJKLEGSLRT-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN N#Cc1cc(N)n(C2CCCCC2)c1 39168800 169117197 /nfs/dbraw/zinc/11/71/97/169117197.db2.gz RMOGWUVCIGMOAX-UHFFFAOYSA-N 0 0 189.262 2.447 10 30 AEEERN N#Cc1cc(N)ccc1-c1ccco1 41048871 169117223 /nfs/dbraw/zinc/11/72/23/169117223.db2.gz VGYNGPFUVCRQLN-UHFFFAOYSA-N 0 0 184.198 2.400 10 30 AEEERN N#Cc1cc(CO)c2ccccc2c1 75576245 169117396 /nfs/dbraw/zinc/11/73/96/169117396.db2.gz QYYNJONAFQOCJS-UHFFFAOYSA-N 0 0 183.210 2.204 10 30 AEEERN N#Cc1cc(Cl)ncc1OC1CC1 95735066 169117441 /nfs/dbraw/zinc/11/74/41/169117441.db2.gz BFVBLBBCJMAXAG-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1cc2ccc(O)cc2s1 83272325 169117871 /nfs/dbraw/zinc/11/78/71/169117871.db2.gz NOCKOTZTAFIVPY-UHFFFAOYSA-N 0 0 175.212 2.479 10 30 AEEERN N#Cc1cc([O-])c(Cl)cc1F 75926730 169117997 /nfs/dbraw/zinc/11/79/97/169117997.db2.gz JEUZCLDHDGWHGU-UHFFFAOYSA-N 0 0 171.558 2.056 10 30 AEEERN N#Cc1cc(OC2CC2)cc(Cl)n1 95736443 169118116 /nfs/dbraw/zinc/11/81/16/169118116.db2.gz HBYKQSFXDHLOFC-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1cc2cc(F)ccc2[nH]1 83269375 169118153 /nfs/dbraw/zinc/11/81/53/169118153.db2.gz WJUYXKOWSAMSOO-UHFFFAOYSA-N 0 0 160.151 2.179 10 30 AEEERN N#Cc1cc2ccc(F)cc2[nH]1 83269374 169118227 /nfs/dbraw/zinc/11/82/27/169118227.db2.gz DFUWTZHKHHKHOW-UHFFFAOYSA-N 0 0 160.151 2.179 10 30 AEEERN N#Cc1cc(Nc2cccnc2)ccn1 61814763 169118320 /nfs/dbraw/zinc/11/83/20/169118320.db2.gz XCJGQMMLIIOAEK-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1cc2[nH]ccc2cc1F 96379355 169118513 /nfs/dbraw/zinc/11/85/13/169118513.db2.gz GFDDOZARNIAOAT-UHFFFAOYSA-N 0 0 160.151 2.179 10 30 AEEERN N#Cc1cc2cc(F)ccc2o1 52068810 169118588 /nfs/dbraw/zinc/11/85/88/169118588.db2.gz ZMOUTTFLXGYSCU-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN N#Cc1cc2c([N+](=O)[O-])cccc2o1 260462645 169118645 /nfs/dbraw/zinc/11/86/45/169118645.db2.gz RQTLVEDUBQABES-UHFFFAOYSA-N 0 0 188.142 2.213 10 30 AEEERN N#Cc1cc2cccc([O-])c2s1 83272326 169118657 /nfs/dbraw/zinc/11/86/57/169118657.db2.gz XXISUEDAYCHXCT-UHFFFAOYSA-N 0 0 175.212 2.479 10 30 AEEERN N#Cc1cc2ccccc2[n-]c1=S 39233650 169118768 /nfs/dbraw/zinc/11/87/68/169118768.db2.gz CXIOYVWULPNAOH-UHFFFAOYSA-N 0 0 186.239 2.395 10 30 AEEERN N#Cc1cc(OC2CC2)c(Cl)cn1 95736556 169118788 /nfs/dbraw/zinc/11/87/88/169118788.db2.gz DXJIGMHFNFOLHC-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1cc2ncccc2s1 39123455 169118790 /nfs/dbraw/zinc/11/87/90/169118790.db2.gz VQCAKDCFTBIDOF-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN N#Cc1cc2cnccc2nc1Cl 39250124 169118823 /nfs/dbraw/zinc/11/88/23/169118823.db2.gz FDRHWYNVFRNFCG-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN N#Cc1cc2cccc(N)c2cc1C#N 59074192 169118862 /nfs/dbraw/zinc/11/88/62/169118862.db2.gz PHEJEDUMGUKQBK-UHFFFAOYSA-N 0 0 193.209 2.165 10 30 AEEERN N#Cc1cc2cc(O)ccc2s1 83272324 169119041 /nfs/dbraw/zinc/11/90/41/169119041.db2.gz NNILVKUYGGTZMP-UHFFFAOYSA-N 0 0 175.212 2.479 10 30 AEEERN N#Cc1ccc(-c2ccco2)cn1 14989023 169119268 /nfs/dbraw/zinc/11/92/68/169119268.db2.gz TXGXIXAONMJQKJ-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#Cc1ccc(CC2CC2)cc1O 95720419 169119343 /nfs/dbraw/zinc/11/93/43/169119343.db2.gz PEQOTEBNKJKNBE-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN N#Cc1ccc(-c2cncc(O)c2)cc1 65337667 169119427 /nfs/dbraw/zinc/11/94/27/169119427.db2.gz VMSDNBJAEMADBX-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN N#Cc1ccc(-c2ccno2)cc1 35570231 169119491 /nfs/dbraw/zinc/11/94/91/169119491.db2.gz SRPVCXLVJQBLLQ-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#Cc1ccc(-c2ccc(O)cn2)cc1 65355620 169119607 /nfs/dbraw/zinc/11/96/07/169119607.db2.gz HMVHLVQMJNSVGB-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN N#Cc1ccc(-c2ncccc2O)cc1 65337664 169119612 /nfs/dbraw/zinc/11/96/12/169119612.db2.gz UPWIWQRQNIYYOJ-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN N#Cc1ccc(-c2cccc(=O)o2)cc1 34131482 169119732 /nfs/dbraw/zinc/11/97/32/169119732.db2.gz ALJQLQCDVFMDBA-UHFFFAOYSA-N 0 0 197.193 2.178 10 30 AEEERN N#Cc1ccc(C#N)c(Cl)c1 6091820 169119738 /nfs/dbraw/zinc/11/97/38/169119738.db2.gz FUXVXOPFTHRBNH-UHFFFAOYSA-N 0 0 162.579 2.083 10 30 AEEERN N#Cc1ccc(C2=CC(=O)CC2)cc1 21988579 169119761 /nfs/dbraw/zinc/11/97/61/169119761.db2.gz RUJPRHFPDPFIBK-UHFFFAOYSA-N 0 0 183.210 2.305 10 30 AEEERN N#Cc1ccc(-c2ncco2)cc1 75873080 169119806 /nfs/dbraw/zinc/11/98/06/169119806.db2.gz UCYDETYOBXIOPT-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#Cc1ccc(CC2CC2)c(O)c1 95720106 169119828 /nfs/dbraw/zinc/11/98/28/169119828.db2.gz AVKZCIFPIGIVAZ-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN N#Cc1ccc(C2CCCC2)nc1N 54079867 169119970 /nfs/dbraw/zinc/11/99/70/169119970.db2.gz CFDSBVHVVFJDIS-UHFFFAOYSA-N 0 0 187.246 2.193 10 30 AEEERN N#Cc1ccc(C2(C(N)=O)CC2)cc1 336426623 169119979 /nfs/dbraw/zinc/11/99/79/169119979.db2.gz OCRJHBDHDBMMBZ-UHFFFAOYSA-N 0 0 186.214 2.125 10 30 AEEERN N#Cc1ccc(CCCO)c(Cl)c1 39377769 169120099 /nfs/dbraw/zinc/12/00/99/169120099.db2.gz YZNGLCDGCQMBNE-UHFFFAOYSA-N 0 0 195.649 2.137 10 30 AEEERN N#Cc1ccc(-c2ccncc2)cn1 47212688 169120229 /nfs/dbraw/zinc/12/02/29/169120229.db2.gz RPQWKOIYOYLAFE-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1ccc(NC2CCC2)c(N)c1 52207652 169120837 /nfs/dbraw/zinc/12/08/37/169120837.db2.gz DNPGOLQJEIFXGF-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN N#Cc1ccc(F)c2[nH]ccc12 89204670 169121028 /nfs/dbraw/zinc/12/10/28/169121028.db2.gz FGWZEPLVTWOJEX-UHFFFAOYSA-N 0 0 160.151 2.179 10 30 AEEERN N#Cc1ccc(F)c2ccncc12 82768421 169121195 /nfs/dbraw/zinc/12/11/95/169121195.db2.gz OJZCOJIAGYYYQR-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN N#Cc1ccc(N2CC[C@@H](F)C2)cc1 107260395 169121325 /nfs/dbraw/zinc/12/13/25/169121325.db2.gz FBTSOWCESAFJTJ-SNVBAGLBSA-N 0 0 190.221 2.106 10 30 AEEERN N#Cc1ccc(C[C@H]2CCCO2)cc1 21991367 169121416 /nfs/dbraw/zinc/12/14/16/169121416.db2.gz TWFQXTZZCQBKPM-GFCCVEGCSA-N 0 0 187.242 2.280 10 30 AEEERN N#Cc1ccc(N2CCC23CCC3)nc1 335754002 169121422 /nfs/dbraw/zinc/12/14/22/169121422.db2.gz HVRGMICOTKJYDU-UHFFFAOYSA-N 0 0 199.257 2.086 10 30 AEEERN N#Cc1ccc(F)c2ccoc12 39088872 169121456 /nfs/dbraw/zinc/12/14/56/169121456.db2.gz CHCSQVDANXBOTI-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN N#Cc1ccc(Cl)c(C#N)c1 33505798 169121496 /nfs/dbraw/zinc/12/14/96/169121496.db2.gz ZUUQPBPHHYNHSR-UHFFFAOYSA-N 0 0 162.579 2.083 10 30 AEEERN N#Cc1ccc(F)c(OC2CC2)c1 95736017 169121664 /nfs/dbraw/zinc/12/16/64/169121664.db2.gz UMFZOFGDZHKEPY-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1ccc(F)cc1OC1CC1 95736018 169121715 /nfs/dbraw/zinc/12/17/15/169121715.db2.gz NLPXVOGOMJQDFS-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1ccc(NC(=O)C2=CCC2)cc1 334280075 169121741 /nfs/dbraw/zinc/12/17/41/169121741.db2.gz GNFAWJQIIHRDEG-UHFFFAOYSA-N 0 0 198.225 2.217 10 30 AEEERN N#Cc1ccc(NCC(F)F)cc1 37755790 169121779 /nfs/dbraw/zinc/12/17/79/169121779.db2.gz IAIXBMUUJVCLRY-UHFFFAOYSA-N 0 0 182.173 2.235 10 30 AEEERN N#Cc1ccc(COCC2CC2)cc1 19870798 169121873 /nfs/dbraw/zinc/12/18/73/169121873.db2.gz QXTXGWAQMXWFMA-UHFFFAOYSA-N 0 0 187.242 2.485 10 30 AEEERN N#Cc1ccc(C[C@@H]2CCCO2)cc1 21991364 169121949 /nfs/dbraw/zinc/12/19/49/169121949.db2.gz TWFQXTZZCQBKPM-LBPRGKRZSA-N 0 0 187.242 2.280 10 30 AEEERN N#Cc1ccc(O)cc1CC1CC1 95722148 169122632 /nfs/dbraw/zinc/12/26/32/169122632.db2.gz NKJNNOFHVZKBRG-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN N#Cc1ccc(O)c(CC2CC2)c1 95719751 169122637 /nfs/dbraw/zinc/12/26/37/169122637.db2.gz KUKNUSBDIVCMAG-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN N#Cc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)cn1 335395226 169122658 /nfs/dbraw/zinc/12/26/58/169122658.db2.gz LIUSHZAOIHXCED-BZBKMWRSSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1ccc(O)cc1OCC1CC1 95723105 169122673 /nfs/dbraw/zinc/12/26/73/169122673.db2.gz IXJUQWJNNPYLOF-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN N#Cc1ccc(Nc2cccnc2)nc1 19425447 169122803 /nfs/dbraw/zinc/12/28/03/169122803.db2.gz DZVWJAPDGKVGME-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1ccc(NCc2ccc[nH]2)cc1 51787994 169122808 /nfs/dbraw/zinc/12/28/08/169122808.db2.gz AGSNMPWQOMLEFV-UHFFFAOYSA-N 0 0 197.241 2.498 10 30 AEEERN N#Cc1ccc(O)c(OCC2CC2)c1 95723425 169122898 /nfs/dbraw/zinc/12/28/98/169122898.db2.gz HWOFHPKZBNXGPT-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN N#Cc1ccc(N[C@@H]2C[C@H]2C2CC2)nc1 308859472 169122962 /nfs/dbraw/zinc/12/29/62/169122962.db2.gz AMCOKFKFYNPXHQ-WDEREUQCSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1ccc2c(c1)CCC[C@H]2C=O 144529452 169123249 /nfs/dbraw/zinc/12/32/49/169123249.db2.gz IIWBLHFCFKBMTM-NSHDSACASA-N 0 0 185.226 2.177 10 30 AEEERN N#Cc1ccc2c(c1)CCCCC2=O 170618880 169123265 /nfs/dbraw/zinc/12/32/65/169123265.db2.gz OMRHWWVFIQTIHF-UHFFFAOYSA-N 0 0 185.226 2.467 10 30 AEEERN N#Cc1ccc2c(c1)CC=CCO2 39941627 169123300 /nfs/dbraw/zinc/12/33/00/169123300.db2.gz PGDFSXSKNSRPPE-UHFFFAOYSA-N 0 0 171.199 2.049 10 30 AEEERN N#Cc1ccc2c(c1)CCC[C@@H]1O[C@@H]21 19796302 169123327 /nfs/dbraw/zinc/12/33/27/169123327.db2.gz UQTXNMPZPNUDNS-RYUDHWBXSA-N 0 0 185.226 2.334 10 30 AEEERN N#Cc1ccc2c(F)ccc(F)c2n1 62567458 169123370 /nfs/dbraw/zinc/12/33/70/169123370.db2.gz GNTCXJJJHQTLOE-UHFFFAOYSA-N 0 0 190.152 2.385 10 30 AEEERN N#Cc1ccc2c(Cl)n[nH]c2c1 89195989 169123376 /nfs/dbraw/zinc/12/33/76/169123376.db2.gz NUUOFVTXVQHMKX-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1ccc2c(c1)CCC[C@@H]2C=O 144529658 169123430 /nfs/dbraw/zinc/12/34/30/169123430.db2.gz IIWBLHFCFKBMTM-LLVKDONJSA-N 0 0 185.226 2.177 10 30 AEEERN N#Cc1ccc2c(c1)CCC[C@@H]1O[C@H]21 16083244 169123437 /nfs/dbraw/zinc/12/34/37/169123437.db2.gz UQTXNMPZPNUDNS-NWDGAFQWSA-N 0 0 185.226 2.334 10 30 AEEERN N#Cc1ccc2c(c1)CCC[C@H]1O[C@@H]21 16083241 169123467 /nfs/dbraw/zinc/12/34/67/169123467.db2.gz UQTXNMPZPNUDNS-NEPJUHHUSA-N 0 0 185.226 2.334 10 30 AEEERN N#Cc1ccc2c(c1)CCC[C@H]1O[C@H]21 19796300 169123475 /nfs/dbraw/zinc/12/34/75/169123475.db2.gz UQTXNMPZPNUDNS-VXGBXAGGSA-N 0 0 185.226 2.334 10 30 AEEERN N#Cc1cccc(CC2CC2)c1O 95720499 169123680 /nfs/dbraw/zinc/12/36/80/169123680.db2.gz SDAQGCXDBDXMGK-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN N#Cc1cccc(OCC2CC2)c1O 95720842 169123682 /nfs/dbraw/zinc/12/36/82/169123682.db2.gz ABBQFVUTTOPEBE-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN N#Cc1cccc(C#N)c1-n1cccc1 142216 169123776 /nfs/dbraw/zinc/12/37/76/169123776.db2.gz FWRGGVMCQVUIMO-UHFFFAOYSA-N 0 0 193.209 2.221 10 30 AEEERN N#Cc1cccc(Nc2cncnc2)c1 89224141 169123826 /nfs/dbraw/zinc/12/38/26/169123826.db2.gz LEVSXIJOXSHZID-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1cccc(C2CCC2)n1 211572912 169123870 /nfs/dbraw/zinc/12/38/70/169123870.db2.gz ZSEFENXNJIQNIJ-UHFFFAOYSA-N 0 0 158.204 2.221 10 30 AEEERN N#Cc1cccc(F)c1OC1CC1 95736189 169123906 /nfs/dbraw/zinc/12/39/06/169123906.db2.gz XESUWDDAEQQIFR-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1cccc(OC2CC2)c1F 95736225 169123917 /nfs/dbraw/zinc/12/39/17/169123917.db2.gz YRGSVYKSGILDGO-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1cccc(OC2CC2)c1 95709770 169123949 /nfs/dbraw/zinc/12/39/49/169123949.db2.gz NVBGCWUMVIHESK-UHFFFAOYSA-N 0 0 159.188 2.099 10 30 in-vitro AEEERN N#Cc1cccc([C@@]23CCC(=O)[C@@H]2C3)c1 39112608 169124136 /nfs/dbraw/zinc/12/41/36/169124136.db2.gz CNSIRYJADWIMDD-AAEUAGOBSA-N 0 0 197.237 2.179 10 30 AEEERN N#Cc1cccc(NCCCF)c1 88024400 169124244 /nfs/dbraw/zinc/12/42/44/169124244.db2.gz RALBQNIAZWGDNU-UHFFFAOYSA-N 0 0 178.210 2.330 10 30 AEEERN N#Cc1cccc(O)c1OCC1CC1 95713578 169124415 /nfs/dbraw/zinc/12/44/15/169124415.db2.gz YZFRADYVJAPCSD-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN N#Cc1cccc(NCC(F)F)c1 37755775 169124463 /nfs/dbraw/zinc/12/44/63/169124463.db2.gz DXAATLHGHNFJOE-UHFFFAOYSA-N 0 0 182.173 2.235 10 30 AEEERN N#Cc1cccc(C2=CC(=O)CC2)c1 21988577 169124487 /nfs/dbraw/zinc/12/44/87/169124487.db2.gz XNUKZVIMHSJWHT-UHFFFAOYSA-N 0 0 183.210 2.305 10 30 AEEERN N#Cc1cccc(N[C@@H]2C[C@H]2C2CC2)n1 336231910 169124499 /nfs/dbraw/zinc/12/44/99/169124499.db2.gz PQUBRPSFWLETSC-WDEREUQCSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cccc([C@]23CCC(=O)[C@H]2C3)c1 38325242 169124535 /nfs/dbraw/zinc/12/45/35/169124535.db2.gz CNSIRYJADWIMDD-DGCLKSJQSA-N 0 0 197.237 2.179 10 30 AEEERN N#Cc1cccc(C2CC2)c1N 39135338 169124629 /nfs/dbraw/zinc/12/46/29/169124629.db2.gz UOTVIPDXTQIJGB-UHFFFAOYSA-N 0 0 158.204 2.018 10 30 AEEERN N#Cc1cccc(NCc2ccc[nH]2)c1 51787977 169124642 /nfs/dbraw/zinc/12/46/42/169124642.db2.gz IIVIARYXRXVDOM-UHFFFAOYSA-N 0 0 197.241 2.498 10 30 AEEERN N#Cc1cccc(N2CCC23CCC3)n1 336466336 169124689 /nfs/dbraw/zinc/12/46/89/169124689.db2.gz HSQBVWSPTHFGGP-UHFFFAOYSA-N 0 0 199.257 2.086 10 30 AEEERN N#Cc1cccc(COCC2CC2)c1 19870799 169124706 /nfs/dbraw/zinc/12/47/06/169124706.db2.gz GHXBJJILXLCBDQ-UHFFFAOYSA-N 0 0 187.242 2.485 10 30 AEEERN N#Cc1cccc(Cn2cccc2)c1 51667979 169124876 /nfs/dbraw/zinc/12/48/76/169124876.db2.gz WZEUSJWHFVWLGB-UHFFFAOYSA-N 0 0 182.226 2.408 10 30 AEEERN N#Cc1cccc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 335395272 169124899 /nfs/dbraw/zinc/12/48/99/169124899.db2.gz MQQIKFAHEJDOEY-DOFRTFSJSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cccc(NC(=O)C2=CCC2)c1 335830148 169124955 /nfs/dbraw/zinc/12/49/55/169124955.db2.gz KZSWGZHYAYNRJH-UHFFFAOYSA-N 0 0 198.225 2.217 10 30 AEEERN N#Cc1cccc2c1C(=O)CCC2 104400043 169125317 /nfs/dbraw/zinc/12/53/17/169125317.db2.gz GWQBKWKENXCFGU-UHFFFAOYSA-N 0 0 171.199 2.077 10 30 AEEERN N#Cc1cccc2c1CCC[C@H]2C=O 146030370 169125350 /nfs/dbraw/zinc/12/53/50/169125350.db2.gz ZZJJRSJXWKYWKV-JTQLQIEISA-N 0 0 185.226 2.177 10 30 AEEERN N#Cc1cccc2[nH]c(Cl)nc12 89195087 169125520 /nfs/dbraw/zinc/12/55/20/169125520.db2.gz HZOJOBXKUWSVOC-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1cccc2[nH]c(C(F)F)nc12 89195139 169125598 /nfs/dbraw/zinc/12/55/98/169125598.db2.gz MAUBFWVUBHTNRI-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN N#Cc1cccc2[nH]nc(Cl)c12 14986025 169125793 /nfs/dbraw/zinc/12/57/93/169125793.db2.gz RPLUAXWKHICSNL-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1cccc2c1CCC[C@@H]2C=O 146030583 169126069 /nfs/dbraw/zinc/12/60/69/169126069.db2.gz ZZJJRSJXWKYWKV-SNVBAGLBSA-N 0 0 185.226 2.177 10 30 AEEERN N#Cc1cccc2c(Cl)n[nH]c12 89196148 169126227 /nfs/dbraw/zinc/12/62/27/169126227.db2.gz RFXSQSUNRZBEIH-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1cccnc1N1CCC12CCC2 335778617 169126376 /nfs/dbraw/zinc/12/63/76/169126376.db2.gz XARCNTOCMBZYLE-UHFFFAOYSA-N 0 0 199.257 2.086 10 30 AEEERN N#Cc1cccnc1Nc1cccnc1 19512264 169126413 /nfs/dbraw/zinc/12/64/13/169126413.db2.gz DRDCQRATYYQBJP-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1ccnc(-c2ccccn2)c1 35653992 169126666 /nfs/dbraw/zinc/12/66/66/169126666.db2.gz PUYQQJHWPHTKJK-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1cccnc1-c1ccco1 166058319 169126693 /nfs/dbraw/zinc/12/66/93/169126693.db2.gz ZKRHPNIVVDDXGT-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#Cc1ccnc(N[C@H]2C[C@@H]3C[C@@H]3C2)c1 335396640 169126761 /nfs/dbraw/zinc/12/67/61/169126761.db2.gz YGYRERSPXJDMAS-JGPRNRPPSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1ccncc1-c1ccncc1 47212684 169126809 /nfs/dbraw/zinc/12/68/09/169126809.db2.gz DMYQZZXRTNBTLX-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1cccnc1N[C@@H]1C[C@H]1C1CC1 334231059 169126946 /nfs/dbraw/zinc/12/69/46/169126946.db2.gz SYSVXDHZNKNSFE-WDEREUQCSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1ccnc(-c2ccccc2)c1N 116323960 169126978 /nfs/dbraw/zinc/12/69/78/169126978.db2.gz VRSMGJJTMTXQFY-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cccn1Cc1ccsc1 34406894 169127081 /nfs/dbraw/zinc/12/70/81/169127081.db2.gz AMDMMSLSEFEUGU-UHFFFAOYSA-N 0 0 188.255 2.470 10 30 AEEERN N#Cc1ccncc1N[C@H]1C[C@@H]2C[C@@H]2C1 335396236 169127133 /nfs/dbraw/zinc/12/71/33/169127133.db2.gz UOBSQERFBIYBRN-JGPRNRPPSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1ccnc(Cl)c1OC1CC1 95736290 169127371 /nfs/dbraw/zinc/12/73/71/169127371.db2.gz XEUGVIYXDBQHGF-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1ccncc1-c1cccnc1 39140303 169127427 /nfs/dbraw/zinc/12/74/27/169127427.db2.gz WWJZBYIGMUBSPG-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1cccnc1N[C@H]1C[C@@H]2C[C@@H]2C1 335395737 169127594 /nfs/dbraw/zinc/12/75/94/169127594.db2.gz PPBVRBOMJDRDEU-JGPRNRPPSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cnc(-c2ccccc2F)nc1 35323396 169128202 /nfs/dbraw/zinc/12/82/02/169128202.db2.gz BFZXYORCKKOSFH-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN N#Cc1cnc(-c2ccccc2)cn1 165146167 169128209 /nfs/dbraw/zinc/12/82/09/169128209.db2.gz DYLBHLZEIHSZDR-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1cnc(Cl)cc1OC1CC1 95736341 169128285 /nfs/dbraw/zinc/12/82/85/169128285.db2.gz PQHXACSJKGZKIN-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1ccnnc1Nc1ccccc1 5800102 169128325 /nfs/dbraw/zinc/12/83/25/169128325.db2.gz ZQBJRHDDYOLMII-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1cnc(C2CCC2)s1 83269663 169128389 /nfs/dbraw/zinc/12/83/89/169128389.db2.gz YFZRAHLQDAWMCP-UHFFFAOYSA-N 0 0 164.233 2.282 10 30 AEEERN N#Cc1cnc(-c2ccco2)s1 82417753 169128402 /nfs/dbraw/zinc/12/84/02/169128402.db2.gz UKSGVMYDSZFISF-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN N#Cc1cnc(-c2cccnc2)s1 82415723 169128483 /nfs/dbraw/zinc/12/84/83/169128483.db2.gz QBOQMTKTDKBIQV-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cnc(Cl)c(OC2CC2)c1 95736339 169128539 /nfs/dbraw/zinc/12/85/39/169128539.db2.gz NFPZKTFEBHSGGZ-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1c[nH]nc1-c1ccc(F)cc1 31886321 169128605 /nfs/dbraw/zinc/12/86/05/169128605.db2.gz ORWYYEHJLODAGJ-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN N#Cc1cncc(-c2ccccc2)n1 96032456 169128991 /nfs/dbraw/zinc/12/89/91/169128991.db2.gz KQYVJPLYZCXINJ-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 in-vitro AEEERN N#Cc1cnc(-c2ccccn2)s1 82415693 169128998 /nfs/dbraw/zinc/12/89/98/169128998.db2.gz DCXNFXZUYMVBMU-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cnc(-c2cccc(F)c2)nc1 35323393 169129215 /nfs/dbraw/zinc/12/92/15/169129215.db2.gz ZXSZUCRVSWGKCX-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 in-vitro AEEERN N#Cc1ccnnc1Oc1ccccc1 75599707 169129233 /nfs/dbraw/zinc/12/92/33/169129233.db2.gz AHXSWNZARJOKOA-UHFFFAOYSA-N 0 0 197.197 2.141 10 30 AEEERN N#Cc1c[nH]c2ccccc2c1=S 36913119 169129278 /nfs/dbraw/zinc/12/92/78/169129278.db2.gz SQPRQXUTTIBFMN-UHFFFAOYSA-N 0 0 186.239 2.395 10 30 AEEERN N#Cc1cnc(-c2ccncc2)s1 59491381 169129378 /nfs/dbraw/zinc/12/93/78/169129378.db2.gz VZROHAFVMCQFNK-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1conc1-c1cccc(F)c1 71500093 169129884 /nfs/dbraw/zinc/12/98/84/169129884.db2.gz ZDXNXSOLDPZTPT-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1csc2ccncc12 39292469 169129894 /nfs/dbraw/zinc/12/98/94/169129894.db2.gz JWSVLAUAFANMTN-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN N#Cc1csc(-c2ccccn2)n1 19723155 169130019 /nfs/dbraw/zinc/13/00/19/169130019.db2.gz GMNSNRMPWWJEJP-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cncc(Cl)c1OC1CC1 95736404 169130025 /nfs/dbraw/zinc/13/00/25/169130025.db2.gz XHFCOYQZIBSDGR-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1cncc(OC2CC2)c1Cl 95736399 169130028 /nfs/dbraw/zinc/13/00/28/169130028.db2.gz SKGOBPCOXBEXNB-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1coc(-c2ccc(F)cc2)n1 19723074 169130092 /nfs/dbraw/zinc/13/00/92/169130092.db2.gz XOQQGNACGBYCNR-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1csc(-c2cccnc2)n1 172657 169130122 /nfs/dbraw/zinc/13/01/22/169130122.db2.gz GBPRGPPIKQSVCC-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cnn([C@@H]2C=CCCC2)c1 307156785 169130140 /nfs/dbraw/zinc/13/01/40/169130140.db2.gz OLSMKKFAMWCYLB-SNVBAGLBSA-N 0 0 173.219 2.036 10 30 AEEERN N#Cc1coc2ccc(F)cc12 83269401 169130161 /nfs/dbraw/zinc/13/01/61/169130161.db2.gz SBPMTAGWIXISOB-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN N#Cc1cncnc1-c1cccs1 96310681 169130165 /nfs/dbraw/zinc/13/01/65/169130165.db2.gz XULPAOLEVJHEKM-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1coc(-c2cccs2)n1 19723088 169130180 /nfs/dbraw/zinc/13/01/80/169130180.db2.gz VQDWXAQKWNZOMT-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN N#Cc1cnn(CCC2CCCC2)c1 306153105 169130197 /nfs/dbraw/zinc/13/01/97/169130197.db2.gz DBHVUWQPMPTULP-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN N#Cc1conc1-c1ccc(F)cc1 71500091 169130243 /nfs/dbraw/zinc/13/02/43/169130243.db2.gz ASAIDHVRQBQWOV-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1cscc1Cl 96190476 169130282 /nfs/dbraw/zinc/13/02/82/169130282.db2.gz BIRJVBDJFFRUKU-UHFFFAOYSA-N 0 0 143.598 2.273 10 30 AEEERN N#Cc1cncc2sc(Cl)nc12 95932881 169130344 /nfs/dbraw/zinc/13/03/44/169130344.db2.gz AETBYKJUQZRNSL-UHFFFAOYSA-N 0 0 195.634 2.216 10 30 AEEERN N#Cc1cnn([C@H]2C=CCCC2)c1 307156784 169130363 /nfs/dbraw/zinc/13/03/63/169130363.db2.gz OLSMKKFAMWCYLB-JTQLQIEISA-N 0 0 173.219 2.036 10 30 AEEERN N#Cc1coc2cc(F)ccc12 83269402 169130476 /nfs/dbraw/zinc/13/04/76/169130476.db2.gz SFTKXYCDVHZXSJ-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN N#Cc1conc1-c1ccccc1F 71500089 169130487 /nfs/dbraw/zinc/13/04/87/169130487.db2.gz RAWHOQQPTLCSTG-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1conc1-c1ccccc1 71496494 169130526 /nfs/dbraw/zinc/13/05/26/169130526.db2.gz SITCRZUMHMBPFG-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#Cc1cnn(CC2=CCCCC2)c1 334622654 169130587 /nfs/dbraw/zinc/13/05/87/169130587.db2.gz CPRAJBZMHWJQMR-UHFFFAOYSA-N 0 0 187.246 2.255 10 30 AEEERN N#Cc1cnn(C2CCCCC2)c1 40538494 169130608 /nfs/dbraw/zinc/13/06/08/169130608.db2.gz OXHNBHSXUDQFKV-UHFFFAOYSA-N 0 0 175.235 2.260 10 30 in-vitro AEEERN N#Cc1coc2c(F)cccc12 83269403 169130627 /nfs/dbraw/zinc/13/06/27/169130627.db2.gz SUZHBEHGDUMOEZ-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN N#Cc1coc2ccc(O)cc12 44154360 169130648 /nfs/dbraw/zinc/13/06/48/169130648.db2.gz ZHFVMDHZAMGUCP-UHFFFAOYSA-N 0 0 159.144 2.010 10 30 AEEERN N#Cc1conc1-c1cccs1 71496991 169130697 /nfs/dbraw/zinc/13/06/97/169130697.db2.gz VZFQMAYWHQDAHY-UHFFFAOYSA-N 0 0 176.200 2.275 10 30 AEEERN N#Cc1csc2c1CCC2 19767643 169130722 /nfs/dbraw/zinc/13/07/22/169130722.db2.gz NDTNWSZKPKWJGH-UHFFFAOYSA-N 0 0 149.218 2.108 10 30 AEEERN N#Cc1csc(-c2ccncc2)n1 19723157 169130826 /nfs/dbraw/zinc/13/08/26/169130826.db2.gz LOCJBGATJGIVDL-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1nc(Cl)c(Cl)s1 39208383 169130996 /nfs/dbraw/zinc/13/09/96/169130996.db2.gz JBSPFSJJTJYWEO-UHFFFAOYSA-N 0 0 179.031 2.322 10 30 AEEERN N#Cc1nc(Cl)ccc1OC1CC1 95736444 169130999 /nfs/dbraw/zinc/13/09/99/169130999.db2.gz PKSWGMYYPFVIKV-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1nnccc1-c1ccccc1 211550494 169131162 /nfs/dbraw/zinc/13/11/62/169131162.db2.gz JQPQMYDTSFGKAK-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1ncncc1-c1ccccc1 75570568 169131196 /nfs/dbraw/zinc/13/11/96/169131196.db2.gz KYFAUDXPPYDICN-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN [NH2+]=C(Nc1ccccc1)c1ccncc1 5848601 169132378 /nfs/dbraw/zinc/13/23/78/169132378.db2.gz CVDXRDXVUQLBRU-UHFFFAOYSA-N 0 0 197.241 2.119 10 30 AEEERN Nc1ccc(C2=CC(=O)CCC2)cc1 83254808 169291806 /nfs/dbraw/zinc/29/18/06/169291806.db2.gz KHZFHTPACGVSIH-UHFFFAOYSA-N 0 0 187.242 2.405 10 30 AEEERN Nc1cccc(C2=CC(=O)CCC2)c1 83254810 169296499 /nfs/dbraw/zinc/29/64/99/169296499.db2.gz FQKJAYKWBDLDNG-UHFFFAOYSA-N 0 0 187.242 2.405 10 30 AEEERN Nc1ccccc1C1=CC(=O)CCC1 34455171 169298613 /nfs/dbraw/zinc/29/86/13/169298613.db2.gz WTHGMFCSUDMYOR-UHFFFAOYSA-N 0 0 187.242 2.405 10 30 AEEERN Nc1ccccc1C#Cc1cccnc1 136264596 169298750 /nfs/dbraw/zinc/29/87/50/169298750.db2.gz VGCWHKDTLOWDFR-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN Nc1ccnc(C#Cc2ccccc2)c1 299890212 169300030 /nfs/dbraw/zinc/30/00/30/169300030.db2.gz VYUWBTHJZPPQQS-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN O/N=C/c1c[nH]c2ncc(Cl)cc12 95937225 169313579 /nfs/dbraw/zinc/31/35/79/169313579.db2.gz QMVSXPXAWHAITB-KGVSQERTSA-N 0 0 195.609 2.024 10 30 AEEERN O/N=C/C1CCCCC1 32297182 169313609 /nfs/dbraw/zinc/31/36/09/169313609.db2.gz NOVKEGXMRQTKSK-SOFGYWHQSA-N 0 0 127.187 2.027 10 30 AEEERN O/N=C1/CC[C@@H]2CC=CC[C@@H]12 39111502 169313625 /nfs/dbraw/zinc/31/36/25/169313625.db2.gz WXBYOTABPGMMTM-UFPBWDQISA-N 0 0 151.209 2.193 10 30 AEEERN O/N=C1/CC[C@@H]2CCC[C@@H]2C1 39111600 169313655 /nfs/dbraw/zinc/31/36/55/169313655.db2.gz KJFNXOPJEVGNPS-UFPBWDQISA-N 0 0 153.225 2.417 10 30 AEEERN O/N=C1/CC[C@H]2CCCC[C@@H]12 12366763 169313664 /nfs/dbraw/zinc/31/36/64/169313664.db2.gz XVCRTDFJYAUMOC-LCKXFHTDSA-N 0 0 153.225 2.417 10 30 AEEERN O/N=C/c1cnc(Cl)cc1Cl 211527863 169313736 /nfs/dbraw/zinc/31/37/36/169313736.db2.gz UGLBDJXYBGPEHH-XCVCLJGOSA-N 0 0 191.017 2.197 10 30 AEEERN O/N=C1\C=C(c2ccncc2)CCC1 111882504 169313745 /nfs/dbraw/zinc/31/37/45/169313745.db2.gz XZJNKMZDJMQHQE-QBFSEMIESA-N 0 0 188.230 2.479 10 30 AEEERN O/N=C1/CCc2c1[nH]c1ccccc21 102110706 169313765 /nfs/dbraw/zinc/31/37/65/169313765.db2.gz NODAYMBGYRYLKA-RAXLEYEMSA-N 0 0 186.214 2.292 10 30 AEEERN O/N=C1/CC[C@@H]2CCC[C@H]2C1 39111597 169313947 /nfs/dbraw/zinc/31/39/47/169313947.db2.gz KJFNXOPJEVGNPS-SUYFDSAASA-N 0 0 153.225 2.417 10 30 AEEERN O/N=C1/CC[C@H]2CCC[C@H]2C1 39111596 169314022 /nfs/dbraw/zinc/31/40/22/169314022.db2.gz KJFNXOPJEVGNPS-TWEHFBLQSA-N 0 0 153.225 2.417 10 30 AEEERN O/N=C/c1ccc(-c2cccnc2)o1 100056446 169314028 /nfs/dbraw/zinc/31/40/28/169314028.db2.gz NJFOVAJRFITZIG-KPKJPENVSA-N 0 0 188.186 2.150 10 30 AEEERN O/N=C/c1cc(Cl)nc(Cl)c1 100019175 169314108 /nfs/dbraw/zinc/31/41/08/169314108.db2.gz KYCMTKGZRVUCGM-YCRREMRBSA-N 0 0 191.017 2.197 10 30 AEEERN O/N=C1/CC[C@H]2CC=CC[C@@H]12 39111501 169314116 /nfs/dbraw/zinc/31/41/16/169314116.db2.gz WXBYOTABPGMMTM-LCKXFHTDSA-N 0 0 151.209 2.193 10 30 AEEERN O/N=C/CCOCc1ccccc1 5518425 169314142 /nfs/dbraw/zinc/31/41/42/169314142.db2.gz ZZTHQLAHUSHNIP-YRNVUSSQSA-N 0 0 179.219 2.053 10 30 AEEERN O/N=C/c1ccc2scnc2c1 89195248 169314209 /nfs/dbraw/zinc/31/42/09/169314209.db2.gz RIHMCGDFUVCGGH-ONNFQVAWSA-N 0 0 178.216 2.104 10 30 AEEERN O/N=C1/CCSc2ccccc2N1 34260643 169314286 /nfs/dbraw/zinc/31/42/86/169314286.db2.gz BSIHFMUJWOYWCB-UHFFFAOYSA-N 0 0 194.259 2.382 10 30 AEEERN O/N=C1/CCCCCC/C1=N/O 101490598 169314335 /nfs/dbraw/zinc/31/43/35/169314335.db2.gz KYAGFJRYMCNINR-XOHWUJONSA-N 0 0 170.212 2.001 10 30 AEEERN O/N=C/c1ccc2ccccc2c1O 25884 169314365 /nfs/dbraw/zinc/31/43/65/169314365.db2.gz FQOLHICYFDRFOM-KPKJPENVSA-N 0 0 187.198 2.354 10 30 AEEERN O/N=C1/CCc2cc(Cl)ccc21 101362408 169314373 /nfs/dbraw/zinc/31/43/73/169314373.db2.gz UQTIJEKCRQCDEK-LUAWRHEFSA-N 0 0 181.622 2.465 10 30 AEEERN O/N=C/c1cccn1-c1ccccc1 8578902 169314420 /nfs/dbraw/zinc/31/44/20/169314420.db2.gz GFJSURQCDNEJDI-FMIVXFBMSA-N 0 0 186.214 2.285 10 30 AEEERN O/N=C1/CC[C@H]2CCCC[C@H]12 100222746 169314451 /nfs/dbraw/zinc/31/44/51/169314451.db2.gz XVCRTDFJYAUMOC-TWEHFBLQSA-N 0 0 153.225 2.417 10 30 AEEERN O/N=C/c1cccc2cccnc12 34466968 169314476 /nfs/dbraw/zinc/31/44/76/169314476.db2.gz CXOBQUOXBLPJQZ-KPKJPENVSA-N 0 0 172.187 2.043 10 30 AEEERN O/N=C1/CC[C@H]2CCC[C@@H]2C1 39111598 169314651 /nfs/dbraw/zinc/31/46/51/169314651.db2.gz KJFNXOPJEVGNPS-LCKXFHTDSA-N 0 0 153.225 2.417 10 30 AEEERN O/N=C\c1ccc2c(c1)CCCC2 39111391 169314806 /nfs/dbraw/zinc/31/48/06/169314806.db2.gz WBHROEHBOZAPIT-WQLSENKSSA-N 0 0 175.231 2.374 10 30 AEEERN O/N=C1\CCCc2ccccc2N1 18060988 169314857 /nfs/dbraw/zinc/31/48/57/169314857.db2.gz HBRVBRWVNXCMCB-UHFFFAOYSA-N 0 0 176.219 2.223 10 30 AEEERN O/N=C\c1ccc(-c2cccnc2)o1 13607131 169314965 /nfs/dbraw/zinc/31/49/65/169314965.db2.gz NJFOVAJRFITZIG-GHXNOFRVSA-N 0 0 188.186 2.150 10 30 AEEERN O/N=C1\CCCc2ccc(F)cc21 17105911 169314995 /nfs/dbraw/zinc/31/49/95/169314995.db2.gz WLXMXKLRJKHSLJ-ZRDIBKRKSA-N 0 0 179.194 2.340 10 30 AEEERN O/N=C\c1c[nH]c2ccc(F)cc12 100468515 169315036 /nfs/dbraw/zinc/31/50/36/169315036.db2.gz HGCZOZNQCYITJG-XGICHPGQSA-N 0 0 178.166 2.115 10 30 AEEERN O/N=C\c1c[nH]c2cc(F)ccc12 100468508 169315141 /nfs/dbraw/zinc/31/51/41/169315141.db2.gz CJKVHPKJDNKHQS-XGICHPGQSA-N 0 0 178.166 2.115 10 30 AEEERN O/N=C1\CCSc2sccc21 107932 169315243 /nfs/dbraw/zinc/31/52/43/169315243.db2.gz NKJXCTRJXFVIAX-SOFGYWHQSA-N 0 0 185.273 2.422 10 30 AEEERN O/N=C\c1ccc(Cl)s1 107327669 169315332 /nfs/dbraw/zinc/31/53/32/169315332.db2.gz BSCXOEKTNDPEQX-CLTKARDFSA-N 0 0 161.613 2.210 10 30 AEEERN O/N=C\c1c[nH]c2cccc(F)c12 100468521 169315479 /nfs/dbraw/zinc/31/54/79/169315479.db2.gz FLDACXCEJKIURQ-XGICHPGQSA-N 0 0 178.166 2.115 10 30 AEEERN O/N=C\c1cnc2ccccc2c1 100412557 169315514 /nfs/dbraw/zinc/31/55/14/169315514.db2.gz UDWKFPQPWSWXHC-GHXNOFRVSA-N 0 0 172.187 2.043 10 30 AEEERN O/N=C\c1ccc(OC(F)F)cc1 100237475 169315582 /nfs/dbraw/zinc/31/55/82/169315582.db2.gz LLQDRZBXFFRAKJ-WZUFQYTHSA-N 0 0 187.145 2.096 10 30 AEEERN O=C(C1=CCCC1)C1CC1 50325067 169315758 /nfs/dbraw/zinc/31/57/58/169315758.db2.gz STNPFABXQPCZIW-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN O=C(C1=CCCCC1)[C@@H]1CCCO1 50324855 169315816 /nfs/dbraw/zinc/31/58/16/169315816.db2.gz PRJWCKGHIFHVGA-JTQLQIEISA-N 0 0 180.247 2.235 10 30 AEEERN O=C(C1=CCCC1)C1CCC1 50325088 169315877 /nfs/dbraw/zinc/31/58/77/169315877.db2.gz SEPGQUHCCYBQQU-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN O=C(C1=CCCCC1)C1CC1 17780638 169315969 /nfs/dbraw/zinc/31/59/69/169315969.db2.gz DQDWVUINTPLDAL-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN O=C(C1=CCC=CC1)C(F)(F)F 39054893 169315981 /nfs/dbraw/zinc/31/59/81/169315981.db2.gz WXRNCOBGAGXIOF-UHFFFAOYSA-N 0 0 176.137 2.394 10 30 AEEERN O=C(C#Cc1ccccc1)C(F)(F)F 13859379 169316102 /nfs/dbraw/zinc/31/61/02/169316102.db2.gz LISOVATZGSPQOC-UHFFFAOYSA-N 0 0 198.143 2.170 10 30 AEEERN O=C(C1=CCCO1)c1ccccc1 39074539 169316187 /nfs/dbraw/zinc/31/61/87/169316187.db2.gz FZFLLSVRKQOAAW-UHFFFAOYSA-N 0 0 174.199 2.174 10 30 AEEERN O=C(C1=CCCC1)C1=CCCCO1 90623619 169316258 /nfs/dbraw/zinc/31/62/58/169316258.db2.gz IXGLNZITWLDLFL-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN O=C(C1=CCCCC1)[C@H]1CCOC1 50325011 169316311 /nfs/dbraw/zinc/31/63/11/169316311.db2.gz YBAMTTUJLFXYBS-JTQLQIEISA-N 0 0 180.247 2.092 10 30 AEEERN O=C(C1=CCCCC1)[C@H]1CCCO1 50324857 169316499 /nfs/dbraw/zinc/31/64/99/169316499.db2.gz PRJWCKGHIFHVGA-SNVBAGLBSA-N 0 0 180.247 2.235 10 30 AEEERN O=C(C1=COCCCC1)C(F)(F)F 39055135 169316575 /nfs/dbraw/zinc/31/65/75/169316575.db2.gz RNJBDBPDNHKMFC-UHFFFAOYSA-N 0 0 194.152 2.202 10 30 AEEERN O=C(C1=CCCCC1)[C@@H]1CCOC1 50325010 169316616 /nfs/dbraw/zinc/31/66/16/169316616.db2.gz YBAMTTUJLFXYBS-SNVBAGLBSA-N 0 0 180.247 2.092 10 30 AEEERN O=C(CC1CC1)C1=CCCC1 50325295 169316990 /nfs/dbraw/zinc/31/69/90/169316990.db2.gz BDVZMJGNEUYZQT-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN O=C(C=C1CCC1)C(F)(F)F 68572454 169317643 /nfs/dbraw/zinc/31/76/43/169317643.db2.gz GTHZVEPDUVEQAE-UHFFFAOYSA-N 0 0 164.126 2.228 10 30 AEEERN O=C(CCS)c1ccccc1 58518130 169317991 /nfs/dbraw/zinc/31/79/91/169317991.db2.gz HEUKDBJXIMIUAB-UHFFFAOYSA-N 0 0 166.245 2.189 10 30 AEEERN O=C(CCS)c1ccc(F)cc1 58520320 169318220 /nfs/dbraw/zinc/31/82/20/169318220.db2.gz GKEGUNSKWFOLGK-UHFFFAOYSA-N 0 0 184.235 2.328 10 30 AEEERN O=C(CCS)Nc1ccc(F)cc1 41570422 169318243 /nfs/dbraw/zinc/31/82/43/169318243.db2.gz KGFMZCBPDFQQMU-UHFFFAOYSA-N 0 0 199.250 2.084 10 30 AEEERN O=C(CCS)c1cccs1 58518497 169318499 /nfs/dbraw/zinc/31/84/99/169318499.db2.gz PFMAWDBUGJNFID-UHFFFAOYSA-N 0 0 172.274 2.251 10 30 AEEERN O=C(CS)c1ccc2c(c1)CCC2 57488659 169321460 /nfs/dbraw/zinc/32/14/60/169321460.db2.gz GQNHQBALEQEEEI-UHFFFAOYSA-N 0 0 192.283 2.288 10 30 AEEERN O=C(CS)c1ccc(Cl)cc1 34562456 169321839 /nfs/dbraw/zinc/32/18/39/169321839.db2.gz NCTJLYBMQJZUQP-UHFFFAOYSA-N 0 0 186.663 2.453 10 30 in-vitro AEEERN O=C(NO)c1cc2sccc2s1 88353380 169331437 /nfs/dbraw/zinc/33/14/37/169331437.db2.gz FKTUWINIXRABIW-UHFFFAOYSA-N 0 0 199.256 2.082 10 30 AEEERN CC(C)Cc1cc(C#N)ccn1 136926009 343982799 /nfs/dbraw/zinc/98/27/99/343982799.db2.gz GZDIWQCZCJCUOB-UHFFFAOYSA-N 0 0 160.220 2.152 10 30 AEEERN O=C1C(F)=C(F)C(=O)c2ccccc21 34113982 169365900 /nfs/dbraw/zinc/36/59/00/169365900.db2.gz LTPZXRUWXAGLMH-UHFFFAOYSA-N 0 0 194.136 2.216 10 30 AEEERN O=C1C(Cl)=C[C@@H]2CC[C@H]1C2 38350230 169365992 /nfs/dbraw/zinc/36/59/92/169365992.db2.gz CDPIEYVGXMIULK-RITPCOANSA-N 0 0 156.612 2.108 10 30 AEEERN O=C1C(Cl)=Cc2ccccc21 6117163 169366085 /nfs/dbraw/zinc/36/60/85/169366085.db2.gz ODYQVLAPGKKVFS-UHFFFAOYSA-N 0 0 164.591 2.463 10 30 AEEERN O=C1C=CC(=Nc2ccccc2)C=C1 3896769 169366359 /nfs/dbraw/zinc/36/63/59/169366359.db2.gz DTYANCALLQJURE-UHFFFAOYSA-N 0 0 183.210 2.454 10 30 AEEERN C=C[C@H](O)c1cccc2ncccc12 136972244 343982831 /nfs/dbraw/zinc/98/28/31/343982831.db2.gz JXWFRARYLBLOBZ-LBPRGKRZSA-N 0 0 185.226 2.454 10 30 AEEERN O=C1C=CC(=O)c2cc(Cl)ccc21 39256956 169366636 /nfs/dbraw/zinc/36/66/36/169366636.db2.gz IUSVMAFWJQCDHC-UHFFFAOYSA-N 0 0 192.601 2.275 10 30 AEEERN O=C1C=C(c2cccs2)CC1 32006270 169366715 /nfs/dbraw/zinc/36/67/15/169366715.db2.gz HCTJBFPKMPELEP-UHFFFAOYSA-N 0 0 164.229 2.494 10 30 AEEERN O=C1C=CC(=O)c2c1[nH]c1ccccc21 28817212 169366783 /nfs/dbraw/zinc/36/67/83/169366783.db2.gz OEYRAYKXZFYTQR-UHFFFAOYSA-N 0 0 197.193 2.103 10 30 AEEERN O=C1C=C(c2ccoc2)CCC1 40423187 169366887 /nfs/dbraw/zinc/36/68/87/169366887.db2.gz XOERWVAEXLDBLP-UHFFFAOYSA-N 0 0 162.188 2.416 10 30 AEEERN O=C1C=C2CN(c3ccccc3)C[C@@H]2C1 39112717 169366889 /nfs/dbraw/zinc/36/68/89/169366889.db2.gz ZNRPUJVOWSZPRQ-NSHDSACASA-N 0 0 199.253 2.022 10 30 AEEERN O=C1C=CC(=NNc2ccccc2)C=C1 13130189 169366948 /nfs/dbraw/zinc/36/69/48/169366948.db2.gz JTSBGMZPPPULTA-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 in-vitro AEEERN O=C1C=C(c2nccs2)CCC1 40829629 169366976 /nfs/dbraw/zinc/36/69/76/169366976.db2.gz ULDMDHDPDKOXSL-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN O=C1C=C(c2ccncc2)CCC1 39642886 169367013 /nfs/dbraw/zinc/36/70/13/169367013.db2.gz YTVCCNFJGGOBAH-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN O=C1C=CC(=O)c2c(Cl)cccc21 38416484 169367022 /nfs/dbraw/zinc/36/70/22/169367022.db2.gz SJYAKSBYGSZNSO-UHFFFAOYSA-N 0 0 192.601 2.275 10 30 AEEERN O=C1C=CN2CCc3ccccc3[C@H]2C1 22004194 169367545 /nfs/dbraw/zinc/36/75/45/169367545.db2.gz UXGKYXZAXLJXKA-CYBMUJFWSA-N 0 0 199.253 2.072 10 30 AEEERN O=C1C=CO[C@@H](C2CCCCC2)C1 34599402 169367549 /nfs/dbraw/zinc/36/75/49/169367549.db2.gz PBLCYUZJPYQMKF-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN O=C1C=CO[C@H](c2ccc(F)cc2)C1 39039124 169367724 /nfs/dbraw/zinc/36/77/24/169367724.db2.gz FSFVWVQURPXPLI-NSHDSACASA-N 0 0 192.189 2.370 10 30 AEEERN O=C1C=CN2CCc3ccccc3[C@@H]2C1 22004188 169367845 /nfs/dbraw/zinc/36/78/45/169367845.db2.gz UXGKYXZAXLJXKA-ZDUSSCGKSA-N 0 0 199.253 2.072 10 30 AEEERN O=C1C=CO[C@H](C2CCCCC2)C1 34599401 169367944 /nfs/dbraw/zinc/36/79/44/169367944.db2.gz PBLCYUZJPYQMKF-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN O=C1C=CO[C@@H](c2ccc(F)cc2)C1 39039125 169367973 /nfs/dbraw/zinc/36/79/73/169367973.db2.gz FSFVWVQURPXPLI-LLVKDONJSA-N 0 0 192.189 2.370 10 30 AEEERN O=C1C=C[C@@]23CCC[C@]2(C1)C3 43761768 169368058 /nfs/dbraw/zinc/36/80/58/169368058.db2.gz YIIYSDGZXSOAQY-ZJUUUORDSA-N 0 0 148.205 2.076 10 30 AEEERN O=C1C=C(NCc2ccco2)CCC1 102257996 169369278 /nfs/dbraw/zinc/36/92/78/169369278.db2.gz VISJYYXJZNRVOR-FMIVXFBMSA-N 0 0 191.230 2.364 10 30 AEEERN O=C1CCC=C1C1CCCC1 111398216 169369374 /nfs/dbraw/zinc/36/93/74/169369374.db2.gz IAHUXRDIKWJXQM-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN O=C1CCC=C1[C@H](O)C1CCCCC1 39112405 169369452 /nfs/dbraw/zinc/36/94/52/169369452.db2.gz DSPVFOSPZJSVTN-GFCCVEGCSA-N 0 0 194.274 2.217 10 30 AEEERN O=C1CCC=C1[C@@H](O)c1ccccc1 8689807 169369570 /nfs/dbraw/zinc/36/95/70/169369570.db2.gz SRGXMVBNZHFVLJ-LBPRGKRZSA-N 0 0 188.226 2.009 10 30 AEEERN O=C1CCC2=C1C=CC=CC2 28567156 169369572 /nfs/dbraw/zinc/36/95/72/169369572.db2.gz FCLCKEGCKMNYKQ-UHFFFAOYSA-N 0 0 146.189 2.162 10 30 AEEERN O=C1CCC/C1=C\c1ccncc1 8048307 169369909 /nfs/dbraw/zinc/36/99/09/169369909.db2.gz NGBWXUDCWTWTFX-CSKARUKUSA-N 0 0 173.215 2.218 10 30 AEEERN O=C1CCC/C1=C/c1ccccn1 39987105 169370008 /nfs/dbraw/zinc/37/00/08/169370008.db2.gz SGBIOWPSJCFCDK-HJWRWDBZSA-N 0 0 173.215 2.218 10 30 AEEERN O=C1CCC=C1[C@@H](O)C1CCCCC1 39112404 169370030 /nfs/dbraw/zinc/37/00/30/169370030.db2.gz DSPVFOSPZJSVTN-LBPRGKRZSA-N 0 0 194.274 2.217 10 30 AEEERN O=C1CCC=C1[C@H](O)c1ccccc1 8689808 169370046 /nfs/dbraw/zinc/37/00/46/169370046.db2.gz SRGXMVBNZHFVLJ-GFCCVEGCSA-N 0 0 188.226 2.009 10 30 AEEERN O=C1CCCC1=NNc1ccccc1 35962359 169370176 /nfs/dbraw/zinc/37/01/76/169370176.db2.gz DBLKLOOHGTXRLT-JLHYYAGUSA-N 0 0 188.230 2.208 10 30 AEEERN O=C1CCCC=C1N1CCCCC1 144074454 169370407 /nfs/dbraw/zinc/37/04/07/169370407.db2.gz RLMRWTXXNLCVPH-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN O=C1CCCC=C1[C@H](O)C1CCCC1 39112403 169370477 /nfs/dbraw/zinc/37/04/77/169370477.db2.gz WJUGDLXWLDZSGK-GFCCVEGCSA-N 0 0 194.274 2.217 10 30 AEEERN O=CC1=C(O)CCCCCC1 100465065 169370680 /nfs/dbraw/zinc/37/06/80/169370680.db2.gz IBKOLUJZWZCTHN-FPLPWBNLSA-N 0 0 154.209 2.352 10 30 AEEERN O=C1CCCC1=C(Cl)Cl 37631711 169371143 /nfs/dbraw/zinc/37/11/43/169371143.db2.gz QEHSZVCMEIZHDU-UHFFFAOYSA-N 0 0 165.019 2.429 10 30 AEEERN O=C1CCCOC2=C1CCCC2 195980248 169372120 /nfs/dbraw/zinc/37/21/20/169372120.db2.gz SKGXLWPYROMHDN-UHFFFAOYSA-N 0 0 166.220 2.194 10 30 AEEERN O=C1CCOC/C1=C\c1ccccc1 261508550 169374707 /nfs/dbraw/zinc/37/47/07/169374707.db2.gz UNJSKCQYGZSUBD-DHZHZOJOSA-N 0 0 188.226 2.059 10 30 AEEERN O=C1CCc2cc(CS)ccc2N1 77278157 169377744 /nfs/dbraw/zinc/37/77/44/169377744.db2.gz IHKGBNDVQTYREN-UHFFFAOYSA-N 0 0 193.271 2.001 10 30 AEEERN O=C1C[C@@H]2CCCC2=C1Cl 39125478 169381218 /nfs/dbraw/zinc/38/12/18/169381218.db2.gz KKQQRESQFMMYPC-YFKPBYRVSA-N 0 0 156.612 2.252 10 30 AEEERN O=C1C[C@H]2CCCC2=C1Cl 39125477 169383327 /nfs/dbraw/zinc/38/33/27/169383327.db2.gz KKQQRESQFMMYPC-RXMQYKEDSA-N 0 0 156.612 2.252 10 30 AEEERN O=CC#Cc1c(F)cccc1Cl 75420859 169394634 /nfs/dbraw/zinc/39/46/34/169394634.db2.gz HHRRVZQFGQARGR-UHFFFAOYSA-N 0 0 182.581 2.030 10 30 AEEERN O=CC#Cc1ccc(C(F)(F)F)cc1 75420857 169394825 /nfs/dbraw/zinc/39/48/25/169394825.db2.gz WEBXDBWHBVNAAL-UHFFFAOYSA-N 0 0 198.143 2.256 10 30 AEEERN O=CC#Cc1ccccc1C(F)(F)F 75420858 169394904 /nfs/dbraw/zinc/39/49/04/169394904.db2.gz AFEGGAXPIRCHQV-UHFFFAOYSA-N 0 0 198.143 2.256 10 30 AEEERN O=CC#Cc1cccc2ccccc12 75420872 169395054 /nfs/dbraw/zinc/39/50/54/169395054.db2.gz MHCLWYJKIWFPSU-UHFFFAOYSA-N 0 0 180.206 2.390 10 30 AEEERN O=CC/C=C/c1ccccc1 43875602 169395621 /nfs/dbraw/zinc/39/56/21/169395621.db2.gz ZHOXGILWMHZMGW-XBXARRHUSA-N 0 0 146.189 2.289 10 30 AEEERN O=CC1C(Cl)=CC=C1Cl 100240714 169395705 /nfs/dbraw/zinc/39/57/05/169395705.db2.gz LFFMLAPLUGFIPN-UHFFFAOYSA-N 0 0 163.003 2.061 10 30 AEEERN O=CCCc1ccc2ccccc2n1 60117709 169396329 /nfs/dbraw/zinc/39/63/29/169396329.db2.gz GFOCXAOBDULJLL-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN O=CCC[C@@H]1C[C@H]2CC[C@@H]1C2 144041519 169396339 /nfs/dbraw/zinc/39/63/39/169396339.db2.gz NWPURTQHDQJYPZ-OPRDCNLKSA-N 0 0 152.237 2.402 10 30 AEEERN O=CCCc1ccc2cnccc2c1 95704548 169396367 /nfs/dbraw/zinc/39/63/67/169396367.db2.gz OTFNNTYAJBEVJU-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN O=CCCCc1cc(F)ccc1F 70738897 169396394 /nfs/dbraw/zinc/39/63/94/169396394.db2.gz XYORSIYDTQILMP-UHFFFAOYSA-N 0 0 184.185 2.486 10 30 AEEERN O=CCCCC1=CC(=O)CCC1 38522899 169396400 /nfs/dbraw/zinc/39/64/00/169396400.db2.gz CYEVOYFHUMGOGV-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN O=CCC[C@H]1C[C@@H]2CC[C@H]1C2 86504729 169396421 /nfs/dbraw/zinc/39/64/21/169396421.db2.gz NWPURTQHDQJYPZ-GUBZILKMSA-N 0 0 152.237 2.402 10 30 AEEERN O=CCCc1c(F)cc(F)cc1F 104398994 169396426 /nfs/dbraw/zinc/39/64/26/169396426.db2.gz OIAUMYPFBFPUCM-UHFFFAOYSA-N 0 0 188.148 2.235 10 30 AEEERN O=CCCc1cc(F)cc(F)c1F 95938077 169396457 /nfs/dbraw/zinc/39/64/57/169396457.db2.gz IDBICMYDPRUWDW-UHFFFAOYSA-N 0 0 188.148 2.235 10 30 AEEERN O=CCCCc1ccc(F)c(F)c1 71425433 169396467 /nfs/dbraw/zinc/39/64/67/169396467.db2.gz CPUNRVUSFQJUAR-UHFFFAOYSA-N 0 0 184.185 2.486 10 30 AEEERN O=CCCSc1cccs1 19686187 169396481 /nfs/dbraw/zinc/39/64/81/169396481.db2.gz IDXMXNMCVNFAOD-UHFFFAOYSA-N 0 0 172.274 2.429 10 30 AEEERN O=CCCc1cccc(F)c1F 60710374 169396494 /nfs/dbraw/zinc/39/64/94/169396494.db2.gz MLFAXWFAEODEGU-UHFFFAOYSA-N 0 0 170.158 2.096 10 30 AEEERN O=CCCC[C@@H]1C=CCC1 75526452 169396530 /nfs/dbraw/zinc/39/65/30/169396530.db2.gz ZCMFJZKYKTVWFW-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN O=CCCc1cccc2ccncc12 95704551 169396618 /nfs/dbraw/zinc/39/66/18/169396618.db2.gz FUGLCALMTUWBOA-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN O=CCCc1c[nH]c2ccc(F)cc12 36473571 169396637 /nfs/dbraw/zinc/39/66/37/169396637.db2.gz GMFXAHNKLNVZIB-UHFFFAOYSA-N 0 0 191.205 2.439 10 30 AEEERN O=CCCn1ccc2ccccc21 20397557 169396716 /nfs/dbraw/zinc/39/67/16/169396716.db2.gz JSVSEDFQCSTHCA-UHFFFAOYSA-N 0 0 173.215 2.230 10 30 AEEERN O=CCCOc1ccc2c(c1)CCC2 11569659 169396724 /nfs/dbraw/zinc/39/67/24/169396724.db2.gz UFHZFGRXLYEVEG-UHFFFAOYSA-N 0 0 190.242 2.143 10 30 AEEERN O=CCCC12C=CCC1CC=C2 75545418 169396762 /nfs/dbraw/zinc/39/67/62/169396762.db2.gz IMSRIDABRAABLX-UHFFFAOYSA-N 0 0 162.232 2.488 10 30 AEEERN O=CCCc1nc2c(s1)CCCC2 49811545 169396763 /nfs/dbraw/zinc/39/67/63/169396763.db2.gz TUJBPBYAHMFXCP-UHFFFAOYSA-N 0 0 195.287 2.153 10 30 AEEERN O=CCCOc1ccccc1Cl 11569656 169396875 /nfs/dbraw/zinc/39/68/75/169396875.db2.gz GCFRPIZLTICEMC-UHFFFAOYSA-N 0 0 184.622 2.308 10 30 AEEERN O=CCC1(CC=O)CCCCC1 75556897 169396878 /nfs/dbraw/zinc/39/68/78/169396878.db2.gz ULCVHWYSIPTMNB-UHFFFAOYSA-N 0 0 168.236 2.115 10 30 AEEERN O=CCCc1cc(F)c(F)cc1F 95938080 169396880 /nfs/dbraw/zinc/39/68/80/169396880.db2.gz QMRTXQUEFBFTIB-UHFFFAOYSA-N 0 0 188.148 2.235 10 30 AEEERN O=CCCCc1cccs1 19728718 169396939 /nfs/dbraw/zinc/39/69/39/169396939.db2.gz YYZXJXWBARZSGE-UHFFFAOYSA-N 0 0 154.234 2.270 10 30 AEEERN O=CCCCc1ccc(F)cc1F 70738906 169397066 /nfs/dbraw/zinc/39/70/66/169397066.db2.gz FOLQVZDMTAUIQX-UHFFFAOYSA-N 0 0 184.185 2.486 10 30 AEEERN O=CCCc1ccc2scnc2c1 89195246 169397068 /nfs/dbraw/zinc/39/70/68/169397068.db2.gz RQPIFMHBTKCTFI-UHFFFAOYSA-N 0 0 191.255 2.428 10 30 AEEERN O=CCCOc1ccc(Cl)cc1 11569657 169397097 /nfs/dbraw/zinc/39/70/97/169397097.db2.gz RTHYQTNEJIKYCN-UHFFFAOYSA-N 0 0 184.622 2.308 10 30 in-vitro AEEERN O=CCCc1cnc2ccccc2c1 70738954 169397128 /nfs/dbraw/zinc/39/71/28/169397128.db2.gz WAFJXZHEKHZBSY-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 in-vitro AEEERN O=CCCC[C@H]1C=CCC1 75526456 169397136 /nfs/dbraw/zinc/39/71/36/169397136.db2.gz ZCMFJZKYKTVWFW-VIFPVBQESA-N 0 0 138.210 2.322 10 30 AEEERN O=CCC[C@H]1C[C@H]2CC[C@@H]1C2 86504731 169397160 /nfs/dbraw/zinc/39/71/60/169397160.db2.gz NWPURTQHDQJYPZ-KXUCPTDWSA-N 0 0 152.237 2.402 10 30 AEEERN O=CCSc1cc(F)ccc1F 43803981 169397307 /nfs/dbraw/zinc/39/73/07/169397307.db2.gz CGYIACRMTYFPJB-UHFFFAOYSA-N 0 0 188.198 2.256 10 30 AEEERN O=CC[C@@H]1C[C@H]2CC[C@@H]1C2 18618424 169397313 /nfs/dbraw/zinc/39/73/13/169397313.db2.gz BNGCUUIILATBLA-DJLDLDEBSA-N 0 0 138.210 2.012 10 30 AEEERN O=CCc1cccc2c1CCCC2 5843750 169397323 /nfs/dbraw/zinc/39/73/23/169397323.db2.gz CIHPERNEECLJMM-UHFFFAOYSA-N 0 0 174.243 2.307 10 30 AEEERN O=CC[C@H]1C[C@H]2CC[C@@H]1C2 18618426 169397378 /nfs/dbraw/zinc/39/73/78/169397378.db2.gz BNGCUUIILATBLA-YIZRAAEISA-N 0 0 138.210 2.012 10 30 AEEERN O=CCOc1cccc2ccccc12 6118675 169397422 /nfs/dbraw/zinc/39/74/22/169397422.db2.gz SUWRQYQPFQCMFZ-UHFFFAOYSA-N 0 0 186.210 2.418 10 30 AEEERN O=CCc1c(Cl)ccc(F)c1F 21985442 169397425 /nfs/dbraw/zinc/39/74/25/169397425.db2.gz DQFDUFDVZJKZCC-UHFFFAOYSA-N 0 0 190.576 2.360 10 30 AEEERN O=CCOc1ccc(F)cc1Cl 50161302 169397438 /nfs/dbraw/zinc/39/74/38/169397438.db2.gz NZPSYHUQGWDNGU-UHFFFAOYSA-N 0 0 188.585 2.057 10 30 AEEERN O=CCc1occ2ccccc12 78013160 169397440 /nfs/dbraw/zinc/39/74/40/169397440.db2.gz NOVMHMZDYZIKAZ-UHFFFAOYSA-N 0 0 160.172 2.174 10 30 AEEERN O=CCOc1ccc2ccccc2c1 11584284 169397481 /nfs/dbraw/zinc/39/74/81/169397481.db2.gz RTBWHENPWDLGGX-UHFFFAOYSA-N 0 0 186.210 2.418 10 30 AEEERN O=CCc1ccc2scnc2c1 89195254 169397512 /nfs/dbraw/zinc/39/75/12/169397512.db2.gz OACPVIQQLLHAOL-UHFFFAOYSA-N 0 0 177.228 2.038 10 30 AEEERN O=CCc1nc2ccccc2s1 45236958 169397565 /nfs/dbraw/zinc/39/75/65/169397565.db2.gz NXJKMELVOFATNP-UHFFFAOYSA-N 0 0 177.228 2.038 10 30 AEEERN O=CC[C@@H]1CCc2cc(O)ccc21 39111366 169397570 /nfs/dbraw/zinc/39/75/70/169397570.db2.gz VHRQHPSVBBENMT-QMMMGPOBSA-N 0 0 176.215 2.011 10 30 AEEERN O=CCc1occc2cccc1-2 95935921 169397583 /nfs/dbraw/zinc/39/75/83/169397583.db2.gz ZAGGNZIMFHOTFB-UHFFFAOYSA-N 0 0 160.172 2.126 10 30 AEEERN O=CCn1ccc2ccc(Cl)cc21 50130191 169397588 /nfs/dbraw/zinc/39/75/88/169397588.db2.gz GMNBYBVHOSDEGE-UHFFFAOYSA-N 0 0 193.633 2.494 10 30 AEEERN O=CCc1ccc2cccc-2o1 90669577 169397632 /nfs/dbraw/zinc/39/76/32/169397632.db2.gz BJWLUAYUYGFCIL-UHFFFAOYSA-N 0 0 160.172 2.126 10 30 AEEERN O=CCc1nsc2ccccc12 39233989 169397662 /nfs/dbraw/zinc/39/76/62/169397662.db2.gz WOAAPIQSBQZTFE-UHFFFAOYSA-N 0 0 177.228 2.038 10 30 AEEERN O=CCSc1cccs1 19686107 169397681 /nfs/dbraw/zinc/39/76/81/169397681.db2.gz CBRFVIDHUMHBKL-UHFFFAOYSA-N 0 0 158.247 2.039 10 30 AEEERN O=CCOc1ccc(F)c(Cl)c1 50161323 169397704 /nfs/dbraw/zinc/39/77/04/169397704.db2.gz WUZVUZGMLKOYAH-UHFFFAOYSA-N 0 0 188.585 2.057 10 30 AEEERN O=CC[C@H]1CCc2cc(O)ccc21 39111365 169397706 /nfs/dbraw/zinc/39/77/06/169397706.db2.gz VHRQHPSVBBENMT-MRVPVSSYSA-N 0 0 176.215 2.011 10 30 AEEERN O=CC[C@@H]1CCc2ccccc2C1=O 75578527 169397717 /nfs/dbraw/zinc/39/77/17/169397717.db2.gz ALSOULJNZFBHNA-JTQLQIEISA-N 0 0 188.226 2.021 10 30 AEEERN O=CCc1ccc2c(c1)CCCC2 6094013 169397760 /nfs/dbraw/zinc/39/77/60/169397760.db2.gz FQLQZBMPYBYGRU-UHFFFAOYSA-N 0 0 174.243 2.307 10 30 AEEERN O=CCc1cc2ccccc2o1 39136370 169397783 /nfs/dbraw/zinc/39/77/83/169397783.db2.gz LWEUYUIUEPVOPB-UHFFFAOYSA-N 0 0 160.172 2.174 10 30 AEEERN O=CCc1cc(F)cc(Cl)c1 43502204 169397784 /nfs/dbraw/zinc/39/77/84/169397784.db2.gz MEKGLBUTTLXOLS-UHFFFAOYSA-N 0 0 172.586 2.221 10 30 AEEERN O=CCSc1nc2ccccc2o1 43803961 169397806 /nfs/dbraw/zinc/39/78/06/169397806.db2.gz ZYIRRJGIWCZUJO-UHFFFAOYSA-N 0 0 193.227 2.119 10 30 AEEERN O=CCc1c(F)ccc(Cl)c1F 43502199 169397833 /nfs/dbraw/zinc/39/78/33/169397833.db2.gz PITZVTYVEPDLQR-UHFFFAOYSA-N 0 0 190.576 2.360 10 30 AEEERN O=CCOCc1ccccc1Cl 50159609 169397902 /nfs/dbraw/zinc/39/79/02/169397902.db2.gz PAGZEMIXTYNHFT-UHFFFAOYSA-N 0 0 184.622 2.056 10 30 AEEERN O=CCc1ccc(Cl)cc1F 43502206 169397904 /nfs/dbraw/zinc/39/79/04/169397904.db2.gz UQMJDENQJRBEQI-UHFFFAOYSA-N 0 0 172.586 2.221 10 30 AEEERN O=CC[C@H](S)c1ccccc1 39200998 169397921 /nfs/dbraw/zinc/39/79/21/169397921.db2.gz WAJDHDCTXWTWQW-VIFPVBQESA-N 0 0 166.245 2.247 10 30 AEEERN O=CCOCc1ccc(Cl)cc1 38880298 169397954 /nfs/dbraw/zinc/39/79/54/169397954.db2.gz LYBQCWDKIOEVHN-UHFFFAOYSA-N 0 0 184.622 2.056 10 30 AEEERN O=CC[C@@H](S)c1ccccc1 39200997 169397963 /nfs/dbraw/zinc/39/79/63/169397963.db2.gz WAJDHDCTXWTWQW-SECBINFHSA-N 0 0 166.245 2.247 10 30 AEEERN O=CCO[C@@H]1CCCc2ccccc21 43803688 169397984 /nfs/dbraw/zinc/39/79/84/169397984.db2.gz MNRLTFLPCQYMPE-GFCCVEGCSA-N 0 0 190.242 2.280 10 30 AEEERN O=CC[C@@H]1CCCc2cccnc21 38337479 169398003 /nfs/dbraw/zinc/39/80/03/169398003.db2.gz BYPAKEJMRWVZRB-JTQLQIEISA-N 0 0 175.231 2.091 10 30 AEEERN O=CC[C@H]1CCCc2cccnc21 38337480 169398008 /nfs/dbraw/zinc/39/80/08/169398008.db2.gz BYPAKEJMRWVZRB-SNVBAGLBSA-N 0 0 175.231 2.091 10 30 AEEERN O=CCc1ccc(Cl)c(F)c1F 21985470 169398015 /nfs/dbraw/zinc/39/80/15/169398015.db2.gz DFVTYVOLXLPBPS-UHFFFAOYSA-N 0 0 190.576 2.360 10 30 AEEERN O=CC[C@H]1CCc2ccccc2C1=O 75578526 169398018 /nfs/dbraw/zinc/39/80/18/169398018.db2.gz ALSOULJNZFBHNA-SNVBAGLBSA-N 0 0 188.226 2.021 10 30 AEEERN O=CCOc1ccc2c(c1)CCCC2 43803842 169398033 /nfs/dbraw/zinc/39/80/33/169398033.db2.gz XYDDTAJJARIBOJ-UHFFFAOYSA-N 0 0 190.242 2.143 10 30 AEEERN O=CCSC1CCCCC1 43803990 169398056 /nfs/dbraw/zinc/39/80/56/169398056.db2.gz LQLKTEGHOCIFGC-UHFFFAOYSA-N 0 0 158.266 2.251 10 30 AEEERN O=CCO[C@H]1CCCc2ccccc21 43803685 169398075 /nfs/dbraw/zinc/39/80/75/169398075.db2.gz MNRLTFLPCQYMPE-LBPRGKRZSA-N 0 0 190.242 2.280 10 30 AEEERN O=CCc1ccc(-c2ncco2)cc1 140973259 169398083 /nfs/dbraw/zinc/39/80/83/169398083.db2.gz IYKMDVRQTOZUDB-UHFFFAOYSA-N 0 0 187.198 2.083 10 30 AEEERN O=C[C@@H]1C=CCc2ccccc21 39063282 169399135 /nfs/dbraw/zinc/39/91/35/169399135.db2.gz WJUZGIWKFBUJNB-JTQLQIEISA-N 0 0 158.200 2.081 10 30 AEEERN O=C[C@@H]1CC=CC2=CCC[C@H]21 39061715 169399318 /nfs/dbraw/zinc/39/93/18/169399318.db2.gz WOHULZMHASQFSO-VHSXEESVSA-N 0 0 148.205 2.098 10 30 AEEERN O=C[C@@H]1CC=CC2=CCC[C@@H]21 39061714 169399654 /nfs/dbraw/zinc/39/96/54/169399654.db2.gz WOHULZMHASQFSO-UWVGGRQHSA-N 0 0 148.205 2.098 10 30 AEEERN O=CC1=C(O)c2cccc3cccc1c23 105604054 169399862 /nfs/dbraw/zinc/39/98/62/169399862.db2.gz WNEYSFNCBDYVJA-NSHDSACASA-N 0 0 196.205 2.319 10 30 AEEERN O=C[C@@H]1C[C@@H]1COc1cccc(F)c1 238535055 169399956 /nfs/dbraw/zinc/39/99/56/169399956.db2.gz IPPYNNYFTRFUMU-DTWKUNHWSA-N 0 0 194.205 2.040 10 30 AEEERN O=C[C@H]1C[C@@H]1c1ccc(F)cc1F 75422278 169401289 /nfs/dbraw/zinc/40/12/89/169401289.db2.gz MQHCJJRTGGKQMJ-MUWHJKNJSA-N 0 0 182.169 2.267 10 30 AEEERN O=C[C@H]1C[C@H]1c1ccc(F)cc1F 75422277 169401597 /nfs/dbraw/zinc/40/15/97/169401597.db2.gz MQHCJJRTGGKQMJ-HZGVNTEJSA-N 0 0 182.169 2.267 10 30 AEEERN OCC#Cc1ccc2ccccc2c1 37470444 169423493 /nfs/dbraw/zinc/42/34/93/169423493.db2.gz DCCUNVXSMKCOMO-UHFFFAOYSA-N 0 0 182.222 2.184 10 30 AEEERN ON=C1CCSc2sccc21 254762219 169441763 /nfs/dbraw/zinc/44/17/63/169441763.db2.gz NKJXCTRJXFVIAX-UHFFFAOYSA-N 0 0 185.273 2.422 10 30 AEEERN O[C@H](C#Cc1ccccc1)c1ccco1 271025 169449131 /nfs/dbraw/zinc/44/91/31/169449131.db2.gz ZZIYWLKSIRVLOU-GFCCVEGCSA-N 0 0 198.221 2.365 10 30 AEEERN SCc1ccc(Cl)nc1 33945861 169463540 /nfs/dbraw/zinc/46/35/40/169463540.db2.gz ISGKHEZJPIHYAB-UHFFFAOYSA-N 0 0 159.641 2.165 10 30 AEEERN [N-]=[N+]=NC1=NN=C(c2ccccn2)C1 75494790 169469233 /nfs/dbraw/zinc/46/92/33/169469233.db2.gz QIQDENJZPNBUKP-UHFFFAOYSA-N 0 0 186.178 2.414 10 30 AEEERN [N-]=[N+]=NC1=CC(=O)c2ccccc2C1=O 84615557 169469301 /nfs/dbraw/zinc/46/93/01/169469301.db2.gz IYUOYLLVOZNGKW-UHFFFAOYSA-N 0 0 199.169 2.260 10 30 AEEERN [N-]=[N+]=Nc1cc(N=[N+]=[N-])ncn1 141388575 169469328 /nfs/dbraw/zinc/46/93/28/169469328.db2.gz RRHDLWYSWOOREU-UHFFFAOYSA-N 0 0 162.116 2.360 10 30 AEEERN c1ccc([C@@]2(c3ccccn3)CO2)cc1 75869983 169477695 /nfs/dbraw/zinc/47/76/95/169477695.db2.gz IZUNFZVAIPSPIZ-CYBMUJFWSA-N 0 0 197.237 2.355 10 30 AEEERN CCCCC/C=N/N(C)C 137035581 343983347 /nfs/dbraw/zinc/98/33/47/343983347.db2.gz KEQDBBYEWHFSRW-CMDGGOBGSA-N 0 0 142.246 2.114 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1NOC1CCCC1 136996597 343983364 /nfs/dbraw/zinc/98/33/64/343983364.db2.gz HAJALFOPNDBVSI-ONGXEEELSA-N 0 0 194.278 2.142 10 30 AEEERN N#C[C@H]1CCC[C@H]1NOC1CCCC1 136996463 343983405 /nfs/dbraw/zinc/98/34/05/343983405.db2.gz HAJALFOPNDBVSI-MWLCHTKSSA-N 0 0 194.278 2.142 10 30 AEEERN C=CC(=O)[C@@]1(C)CCCS1 137148955 343983811 /nfs/dbraw/zinc/98/38/11/343983811.db2.gz GMVOPJZZWCAHEX-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN C=CC(=O)[C@]1(C)CCCS1 137149005 343983847 /nfs/dbraw/zinc/98/38/47/343983847.db2.gz GMVOPJZZWCAHEX-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN C=CCNc1ccccc1/C(C)=N/O 139527688 343995258 /nfs/dbraw/zinc/99/52/58/343995258.db2.gz YAUHETQZSCQNFF-UKTHLTGXSA-N 0 0 190.246 2.483 10 30 AEEERN CC(=O)/C=C/[C@@H](C)C(C)C 139694962 343995809 /nfs/dbraw/zinc/99/58/09/343995809.db2.gz LJNTUYJXRDIJIV-HQZHTGGTSA-N 0 0 140.226 2.424 10 30 AEEERN Cc1cc(C(=O)C=CO)c(C)o1 138735148 343989865 /nfs/dbraw/zinc/98/98/65/343989865.db2.gz CVTRZNHUAUPQER-ARJAWSKDSA-N 0 0 166.176 2.151 10 30 AEEERN CCCCCCCC[C@]1(CO)CO1 138830953 343990947 /nfs/dbraw/zinc/99/09/47/343990947.db2.gz OLZFIJVGQJJAOD-NSHDSACASA-N 0 0 186.295 2.498 10 30 AEEERN CC(C)(C)N(O)C(=O)c1ccccc1 140879360 344002651 /nfs/dbraw/zinc/00/26/51/344002651.db2.gz JMUSJUJIBNIXAX-UHFFFAOYSA-N 0 0 192.238 2.273 10 30 AEEERN COc1cc(C)c(CC#N)cc1F 142611886 344013536 /nfs/dbraw/zinc/01/35/36/344013536.db2.gz GXZHPYKMXJETIU-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN O/N=C1/CCCN1C1CCCCC1 143593212 344020288 /nfs/dbraw/zinc/02/02/88/344020288.db2.gz RHYIWFNVWCVDIU-KHPPLWFESA-N 0 0 182.267 2.203 10 30 AEEERN O=C1C=CC=C2CCCC[C@]12F 143661262 344020841 /nfs/dbraw/zinc/02/08/41/344020841.db2.gz JEVHXRLKTYZRPK-SNVBAGLBSA-N 0 0 166.195 2.334 10 30 AEEERN C[C@H]1c2ccccc2CN1CC#N 144065222 344023855 /nfs/dbraw/zinc/02/38/55/344023855.db2.gz LYBGATCBDXCWFK-VIFPVBQESA-N 0 0 172.231 2.087 10 30 AEEERN Cc1c(C(F)(F)F)ccnc1C#N 146045150 344037651 /nfs/dbraw/zinc/03/76/51/344037651.db2.gz AZPJKWIWEZGUFF-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN N#C[C@H](N)c1ccc2ccsc2c1 146065823 344038320 /nfs/dbraw/zinc/03/83/20/344038320.db2.gz AWMYPJKDKJGKHL-VIFPVBQESA-N 0 0 188.255 2.425 10 30 AEEERN C=CC(=O)C1CCCCC1 1841389 171002914 /nfs/dbraw/zinc/00/29/14/171002914.db2.gz WXOZSJIRHYARIF-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C/CCCCC=O 1850207 171003074 /nfs/dbraw/zinc/00/30/74/171003074.db2.gz KVNBGNGISDIZRP-NSCUHMNNSA-N 0 0 126.199 2.322 10 30 AEEERN CC(C)=C1CCCCC1=O 2019464 171003578 /nfs/dbraw/zinc/00/35/78/171003578.db2.gz MMTBDIDPDFBJIC-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CCCCCCC#CC#N 1855977 171003785 /nfs/dbraw/zinc/00/37/85/171003785.db2.gz LVZVEAOJFLMDAP-UHFFFAOYSA-N 0 0 135.210 2.484 10 30 AEEERN N#CCCCCCF 2040705 171004206 /nfs/dbraw/zinc/00/42/06/171004206.db2.gz XQPCYRPIZBEDDJ-UHFFFAOYSA-N 0 0 115.151 2.040 10 30 AEEERN C=C[C@@H]1O[C@H]1c1ccccc1 38220245 171004661 /nfs/dbraw/zinc/00/46/61/171004661.db2.gz JREKMQNEGCRTPI-UWVGGRQHSA-N 0 0 146.189 2.313 10 30 AEEERN C=C[C@@H]1O[C@@H]1c1ccccc1 38220246 171004680 /nfs/dbraw/zinc/00/46/80/171004680.db2.gz JREKMQNEGCRTPI-VHSXEESVSA-N 0 0 146.189 2.313 10 30 AEEERN C=C[C@H]1O[C@H]1c1ccccc1 38220244 171004972 /nfs/dbraw/zinc/00/49/72/171004972.db2.gz JREKMQNEGCRTPI-ZJUUUORDSA-N 0 0 146.189 2.313 10 30 AEEERN CCC/C=C/C=C/C=N/O 2535671 171006737 /nfs/dbraw/zinc/00/67/37/171006737.db2.gz MDSHEHAMTFNMBI-ZAJAATJQSA-N 0 0 139.198 2.359 10 30 AEEERN C=CC(=O)Cc1ccccc1C 2579470 171007826 /nfs/dbraw/zinc/00/78/26/171007826.db2.gz BWFXCDIMRMOMEI-UHFFFAOYSA-N 0 0 160.216 2.293 10 30 AEEERN C=CC(=O)Cc1cc(F)cc(F)c1 2579498 171007841 /nfs/dbraw/zinc/00/78/41/171007841.db2.gz JXTVKNOOHMPLNV-UHFFFAOYSA-N 0 0 182.169 2.262 10 30 AEEERN C=CC(=O)Cc1ccc(C)cc1 2579472 171007939 /nfs/dbraw/zinc/00/79/39/171007939.db2.gz SGCIRHVFQBKUDO-UHFFFAOYSA-N 0 0 160.216 2.293 10 30 AEEERN C=CC(=O)Cc1cccc(C)c1 2579471 171007960 /nfs/dbraw/zinc/00/79/60/171007960.db2.gz SJYGAOCYTYPXRR-UHFFFAOYSA-N 0 0 160.216 2.293 10 30 AEEERN C=CC(=O)Cc1c(F)cccc1F 2579491 171008095 /nfs/dbraw/zinc/00/80/95/171008095.db2.gz WNVLDSYAUWFTJR-UHFFFAOYSA-N 0 0 182.169 2.262 10 30 AEEERN C=CC(=O)Cc1ccc(F)cc1F 2579488 171008154 /nfs/dbraw/zinc/00/81/54/171008154.db2.gz DNGONHIYPGHAFL-UHFFFAOYSA-N 0 0 182.169 2.262 10 30 AEEERN C=CC(=O)Cc1ccc(F)c(F)c1 2579494 171008159 /nfs/dbraw/zinc/00/81/59/171008159.db2.gz XQAAZLZGZAEFIO-UHFFFAOYSA-N 0 0 182.169 2.262 10 30 AEEERN CCO/N=C(\C)c1ccc(C)nc1 4300515 171012360 /nfs/dbraw/zinc/01/23/60/171012360.db2.gz UGHAUUAUHIXANR-FMIVXFBMSA-N 0 0 178.235 2.151 10 30 AEEERN CCN(CC)[C@@H]1C=CCC[C@H]1C#N 4823347 171014643 /nfs/dbraw/zinc/01/46/43/171014643.db2.gz XTDPJLMBOQJSKX-WDEREUQCSA-N 0 0 178.279 2.187 10 30 AEEERN CCN(CC)[C@@H]1C=CCC[C@@H]1C#N 4823325 171014686 /nfs/dbraw/zinc/01/46/86/171014686.db2.gz XTDPJLMBOQJSKX-GHMZBOCLSA-N 0 0 178.279 2.187 10 30 AEEERN CC(=O)/C=C/c1ccccc1[N+](=O)[O-] 5159281 171015703 /nfs/dbraw/zinc/01/57/03/171015703.db2.gz FRPAGLRAZLFTGW-VOTSOKGWSA-N 0 0 191.186 2.197 10 30 AEEERN ClC1(Cl)OC1(Cl)Cl 5187437 171016354 /nfs/dbraw/zinc/01/63/54/171016354.db2.gz PHEPAUSSNBXGQO-UHFFFAOYSA-N 0 0 181.833 2.279 10 30 AEEERN CC/C=C/C=C/C(C)=O 5761845 171017877 /nfs/dbraw/zinc/01/78/77/171017877.db2.gz LWRKMRFJEUFXIB-YTXTXJHMSA-N 0 0 124.183 2.098 10 30 endogenous,in-man AEEERN CC1(C)[C@H]2CC[C@@H](C=O)[C@@H]1C2 5765800 171018305 /nfs/dbraw/zinc/01/83/05/171018305.db2.gz OOCLVMCVOWKECB-CIUDSAMLSA-N 0 0 152.237 2.258 10 30 AEEERN Cc1ccccc1C[C@@H](C)C=O 6071877 171018701 /nfs/dbraw/zinc/01/87/01/171018701.db2.gz PFTIYHYMOUKOHA-SECBINFHSA-N 0 0 162.232 2.373 10 30 endogenous,in-man AEEERN CCS/C=C/C#CC(C)(C)O 6168084 171019880 /nfs/dbraw/zinc/01/98/80/171019880.db2.gz QWPPLGCFJIIWHY-SOFGYWHQSA-N 0 0 170.277 2.028 10 30 AEEERN Cc1ccccc1C[C@H](C)C=O 6071880 171020031 /nfs/dbraw/zinc/02/00/31/171020031.db2.gz PFTIYHYMOUKOHA-VIFPVBQESA-N 0 0 162.232 2.373 10 30 endogenous,in-man AEEERN N#C[C@@H](c1ccccc1)c1cccnn1 38283457 171021325 /nfs/dbraw/zinc/02/13/25/171021325.db2.gz CQLWECMSEWNQQP-NSHDSACASA-N 0 0 195.225 2.132 10 30 AEEERN CCCN[C@@H](C#N)[C@@H]1CC=CCC1 36336229 171022618 /nfs/dbraw/zinc/02/26/18/171022618.db2.gz SHLIJAPWSRKOHH-MNOVXSKESA-N 0 0 178.279 2.234 10 30 AEEERN CCCN[C@@H](C#N)[C@H]1CC=CCC1 36336227 171022869 /nfs/dbraw/zinc/02/28/69/171022869.db2.gz SHLIJAPWSRKOHH-QWRGUYRKSA-N 0 0 178.279 2.234 10 30 AEEERN C=CCCC1(C(=O)OCC)CC1 139417676 171022962 /nfs/dbraw/zinc/02/29/62/171022962.db2.gz AMIOBPSVXAENIE-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN COCC#CC1CCCCC1 36419750 171023036 /nfs/dbraw/zinc/02/30/36/171023036.db2.gz BYAKHHMBAMZYTM-UHFFFAOYSA-N 0 0 152.237 2.217 10 30 AEEERN C#Cc1cccc(OC(C)C)c1 36533581 171023202 /nfs/dbraw/zinc/02/32/02/171023202.db2.gz BQYICKCWXPSJAD-UHFFFAOYSA-N 0 0 160.216 2.455 10 30 AEEERN N#C[C@@H]1CC=CCN1Cc1ccccc1 75600853 171023518 /nfs/dbraw/zinc/02/35/18/171023518.db2.gz JKLIRFYWCQFOQE-ZDUSSCGKSA-N 0 0 198.269 2.341 10 30 AEEERN Cc1ccccc1O[C@@H](C)C#N 11834610 171023811 /nfs/dbraw/zinc/02/38/11/171023811.db2.gz AWZWVZHGPXWGFB-VIFPVBQESA-N 0 0 161.204 2.286 10 30 AEEERN Cc1ccccc1O[C@H](C)C#N 11834609 171023897 /nfs/dbraw/zinc/02/38/97/171023897.db2.gz AWZWVZHGPXWGFB-SECBINFHSA-N 0 0 161.204 2.286 10 30 AEEERN C=CC(=O)C=CCCC 12153785 171024924 /nfs/dbraw/zinc/02/49/24/171024924.db2.gz VWYBQOFZVSNDAW-AATRIKPKSA-N 0 0 124.183 2.098 10 30 endogenous,in-man AEEERN C=C(C)[C@@H]1CC=C(C(C)=O)C1 13306700 171026223 /nfs/dbraw/zinc/02/62/23/171026223.db2.gz BTXSVMBTNJSALB-SECBINFHSA-N 0 0 150.221 2.488 10 30 endogenous,in-man AEEERN N#CCCCOc1ccc(N)cc1F 37064910 171026775 /nfs/dbraw/zinc/02/67/75/171026775.db2.gz XLNINHJUXKURNS-UHFFFAOYSA-N 0 0 194.209 2.090 10 30 AEEERN N#CCCCSc1ccc(N)nc1 37192654 171027435 /nfs/dbraw/zinc/02/74/35/171027435.db2.gz ULVPZONQHCZZLU-UHFFFAOYSA-N 0 0 193.275 2.060 10 30 AEEERN N#CCCC[C@@H]1CCCc2cncn21 13820308 171028101 /nfs/dbraw/zinc/02/81/01/171028101.db2.gz SDGOASXKUZOUNK-SNVBAGLBSA-N 0 0 189.262 2.454 10 30 AEEERN CCCC#C[C@H]1C[C@H]1c1c[nH]cn1 13795250 171028120 /nfs/dbraw/zinc/02/81/20/171028120.db2.gz PSBKOCDAJZKKOH-VHSXEESVSA-N 0 0 174.247 2.317 10 30 AEEERN N#CCCCSc1ncccc1N 37191043 171028499 /nfs/dbraw/zinc/02/84/99/171028499.db2.gz MFSIBESXVBSZPP-UHFFFAOYSA-N 0 0 193.275 2.060 10 30 AEEERN N#CCCCSc1ccc(N)cn1 37191828 171028503 /nfs/dbraw/zinc/02/85/03/171028503.db2.gz IYFYUSOKBCKXIE-UHFFFAOYSA-N 0 0 193.275 2.060 10 30 AEEERN N#CCCC[C@H]1CCCc2cncn21 13820310 171028566 /nfs/dbraw/zinc/02/85/66/171028566.db2.gz SDGOASXKUZOUNK-JTQLQIEISA-N 0 0 189.262 2.454 10 30 AEEERN CC(=O)/C=C/Cc1ccccc1 13551418 171028610 /nfs/dbraw/zinc/02/86/10/171028610.db2.gz FBDLPZQWOVGYJU-AATRIKPKSA-N 0 0 160.216 2.374 10 30 AEEERN CC[C@@H]1CCC[C@H]1C=O 15204858 171028815 /nfs/dbraw/zinc/02/88/15/171028815.db2.gz GYZGPIMCDMSOTN-SFYZADRCSA-N 0 0 126.199 2.012 10 30 AEEERN CCO/C=N/c1[nH]c(C)c(C)c1C#N 17061465 171031585 /nfs/dbraw/zinc/03/15/85/171031585.db2.gz WRNUBWIXTKEPLP-WUXMJOGZSA-N 0 0 191.234 2.200 10 30 AEEERN SCCNc1ccccc1 17325846 171032209 /nfs/dbraw/zinc/03/22/09/171032209.db2.gz GSZFZXVMYGIDGE-UHFFFAOYSA-N 0 0 153.250 2.028 10 30 AEEERN C/C=C/C(=O)CC(C)(C)C#N 17681931 171032251 /nfs/dbraw/zinc/03/22/51/171032251.db2.gz UQRGMOAHTZWJRN-SNAWJCMRSA-N 0 0 151.209 2.071 10 30 AEEERN CC(=O)/C=C(/C=N/O)c1ccccc1 17254359 171032330 /nfs/dbraw/zinc/03/23/30/171032330.db2.gz FZHNVHXFXNYZMP-NTLHZVPKSA-N 0 0 189.214 2.119 10 30 AEEERN CSC(=NC1CCCCC1)NC#N 18255883 171033060 /nfs/dbraw/zinc/03/30/60/171033060.db2.gz DOEQGTAAGFBXMB-UHFFFAOYSA-N 0 0 197.307 2.109 10 30 AEEERN N#Cc1c(N)[nH]c2cccc(Cl)c12 19425364 171034249 /nfs/dbraw/zinc/03/42/49/171034249.db2.gz KGPJFHKYONXINN-UHFFFAOYSA-N 0 0 191.621 2.275 10 30 AEEERN N#CCC(=O)c1cc2c(s1)CCC2 19471935 171034266 /nfs/dbraw/zinc/03/42/66/171034266.db2.gz GWUCYLKZPQHYRX-UHFFFAOYSA-N 0 0 191.255 2.333 10 30 AEEERN N#CCCCN1CCc2ccccc21 19437314 171034307 /nfs/dbraw/zinc/03/43/07/171034307.db2.gz CUIDPPXVCGEDCZ-UHFFFAOYSA-N 0 0 186.258 2.353 10 30 AEEERN N#CCCCOC1CCCC1 19441805 171034352 /nfs/dbraw/zinc/03/43/52/171034352.db2.gz FBVPWBAYRMLLRW-UHFFFAOYSA-N 0 0 153.225 2.249 10 30 AEEERN Cc1ccccc1OCCS 19414825 171034540 /nfs/dbraw/zinc/03/45/40/171034540.db2.gz HZWKWDUHHICOQO-UHFFFAOYSA-N 0 0 168.261 2.304 10 30 AEEERN N#CCCCN1CCCCCCC1=O 19427084 171034695 /nfs/dbraw/zinc/03/46/95/171034695.db2.gz AMZYWLLNSMGLAF-UHFFFAOYSA-N 0 0 194.278 2.083 10 30 AEEERN N#CCCCn1cnc2ccccc21 19519821 171035259 /nfs/dbraw/zinc/03/52/59/171035259.db2.gz DDORQOJXTXYJDR-UHFFFAOYSA-N 0 0 185.230 2.340 10 30 AEEERN CN(C)c1nc2ccccc2cc1C#N 19801388 171035812 /nfs/dbraw/zinc/03/58/12/171035812.db2.gz QKZRIPZHYCMHOZ-UHFFFAOYSA-N 0 0 197.241 2.172 10 30 AEEERN N#C[C@@H](c1cccs1)N1CCCC1 19933878 171036466 /nfs/dbraw/zinc/03/64/66/171036466.db2.gz DLRINFNBSMRABO-VIFPVBQESA-N 0 0 192.287 2.409 10 30 AEEERN N#C[C@H](c1cccs1)N1CCCC1 19933876 171036640 /nfs/dbraw/zinc/03/66/40/171036640.db2.gz DLRINFNBSMRABO-SECBINFHSA-N 0 0 192.287 2.409 10 30 AEEERN CC(C)(C)SCC#N 19870220 171036816 /nfs/dbraw/zinc/03/68/16/171036816.db2.gz LQIIKAWRHCOHJV-UHFFFAOYSA-N 0 0 129.228 2.042 10 30 AEEERN CN(C)[C@@H](C#N)c1cccc(Cl)c1 19934390 171036937 /nfs/dbraw/zinc/03/69/37/171036937.db2.gz RIHHSOIPTVEDFY-JTQLQIEISA-N 0 0 194.665 2.466 10 30 AEEERN CC(C)(C)SCCC#N 19870219 171036959 /nfs/dbraw/zinc/03/69/59/171036959.db2.gz YLNIFVGCOVTOII-UHFFFAOYSA-N 0 0 143.255 2.432 10 30 AEEERN N#C[C@@H](NC1CC1)c1ccccc1 19986700 171037162 /nfs/dbraw/zinc/03/71/62/171037162.db2.gz QQPXMMKZAJCHRP-LLVKDONJSA-N 0 0 172.231 2.003 10 30 AEEERN Cc1ccccc1[C@@H](C#N)NC1CC1 19987153 171037187 /nfs/dbraw/zinc/03/71/87/171037187.db2.gz RLPNYLMWFOAFKI-GFCCVEGCSA-N 0 0 186.258 2.312 10 30 AEEERN N#C[C@@H](NC1CC1)c1ccc(F)cc1 19988807 171037214 /nfs/dbraw/zinc/03/72/14/171037214.db2.gz BRTFIOJAWBVCNF-LLVKDONJSA-N 0 0 190.221 2.142 10 30 AEEERN Cc1ccccc1[C@H](C#N)NC1CC1 19987149 171037216 /nfs/dbraw/zinc/03/72/16/171037216.db2.gz RLPNYLMWFOAFKI-LBPRGKRZSA-N 0 0 186.258 2.312 10 30 AEEERN N#C[C@@H](NC1CC1)c1cccs1 19984932 171037233 /nfs/dbraw/zinc/03/72/33/171037233.db2.gz ATVFYWPCMWXLGY-MRVPVSSYSA-N 0 0 178.260 2.065 10 30 AEEERN N#C[C@H](NC1CC1)c1ccccc1F 19988410 171037243 /nfs/dbraw/zinc/03/72/43/171037243.db2.gz REBBJMISVUGQPF-NSHDSACASA-N 0 0 190.221 2.142 10 30 AEEERN N#C[C@@H](NC1CC1)c1ccccc1F 19988414 171037257 /nfs/dbraw/zinc/03/72/57/171037257.db2.gz REBBJMISVUGQPF-LLVKDONJSA-N 0 0 190.221 2.142 10 30 AEEERN N#C[C@H](NC1CC1)c1ccc(F)cc1 19988803 171037277 /nfs/dbraw/zinc/03/72/77/171037277.db2.gz BRTFIOJAWBVCNF-NSHDSACASA-N 0 0 190.221 2.142 10 30 AEEERN N#C[C@H](NC1CC1)c1ccccc1 19986704 171037286 /nfs/dbraw/zinc/03/72/86/171037286.db2.gz QQPXMMKZAJCHRP-NSHDSACASA-N 0 0 172.231 2.003 10 30 AEEERN N#C[C@@H](NC1CCCC1)c1ccco1 19984495 171037296 /nfs/dbraw/zinc/03/72/96/171037296.db2.gz LUNNHXLHGFBXEI-SNVBAGLBSA-N 0 0 190.246 2.376 10 30 AEEERN N#C[C@H](NC1CCCC1)c1ccco1 19984499 171037304 /nfs/dbraw/zinc/03/73/04/171037304.db2.gz LUNNHXLHGFBXEI-JTQLQIEISA-N 0 0 190.246 2.376 10 30 AEEERN Cc1ccccc1CNC(C)(C)C#N 20177676 171037526 /nfs/dbraw/zinc/03/75/26/171037526.db2.gz DHZJIBBNYGWAID-UHFFFAOYSA-N 0 0 188.274 2.387 10 30 AEEERN CN(C)[C@@H](CC#N)c1ccccc1 20216464 171037651 /nfs/dbraw/zinc/03/76/51/171037651.db2.gz MGXQZDCKXFCFAH-NSHDSACASA-N 0 0 174.247 2.203 10 30 AEEERN N#CC1(NCc2ccco2)CCCC1 20177805 171038022 /nfs/dbraw/zinc/03/80/22/171038022.db2.gz CSQIJMQFRZJGAT-UHFFFAOYSA-N 0 0 190.246 2.206 10 30 AEEERN N#CC1(NC2CCCC2)CCCC1 20177786 171038035 /nfs/dbraw/zinc/03/80/35/171038035.db2.gz VNSBABMPJFUDNQ-UHFFFAOYSA-N 0 0 178.279 2.355 10 30 AEEERN N#CCCOc1ccc2c(c1)CCC2 20296951 171038310 /nfs/dbraw/zinc/03/83/10/171038310.db2.gz MVADGRBVJJAZSU-UHFFFAOYSA-N 0 0 187.242 2.468 10 30 AEEERN CCCCCC(=O)CC#N 20481554 171039581 /nfs/dbraw/zinc/03/95/81/171039581.db2.gz BOEHLBBNNUELRG-UHFFFAOYSA-N 0 0 139.198 2.049 10 30 AEEERN N#C[C@H](NCC1CC1)C1CCCCC1 37946753 171040024 /nfs/dbraw/zinc/04/00/24/171040024.db2.gz WPJBJMIPCPCJKQ-LBPRGKRZSA-N 0 0 192.306 2.458 10 30 AEEERN N#C[C@@H](NCC1CC1)C1CCCCC1 37946752 171040330 /nfs/dbraw/zinc/04/03/30/171040330.db2.gz WPJBJMIPCPCJKQ-GFCCVEGCSA-N 0 0 192.306 2.458 10 30 AEEERN N#C[C@H](NCC1CC1)c1ccsc1 37946720 171040431 /nfs/dbraw/zinc/04/04/31/171040431.db2.gz ZAMGQMWSWPMMEF-JTQLQIEISA-N 0 0 192.287 2.312 10 30 AEEERN N#C[C@@H](NCC1CC1)[C@@H]1CC=CCC1 37946906 171040626 /nfs/dbraw/zinc/04/06/26/171040626.db2.gz SZZIDGHJZMHKTM-VXGBXAGGSA-N 0 0 190.290 2.234 10 30 AEEERN N#C[C@@H](NCC1CC1)c1ccsc1 37946719 171040667 /nfs/dbraw/zinc/04/06/67/171040667.db2.gz ZAMGQMWSWPMMEF-SNVBAGLBSA-N 0 0 192.287 2.312 10 30 AEEERN N#C[C@H](NCC1CC1)[C@H]1CC=CCC1 37946909 171040956 /nfs/dbraw/zinc/04/09/56/171040956.db2.gz SZZIDGHJZMHKTM-RYUDHWBXSA-N 0 0 190.290 2.234 10 30 AEEERN N#C[C@@H](NCC1CC1)c1ccccc1 37946922 171041014 /nfs/dbraw/zinc/04/10/14/171041014.db2.gz SIDLAJUFYWRFFB-GFCCVEGCSA-N 0 0 186.258 2.251 10 30 AEEERN N#C[C@@H](NCC1CC1)[C@H]1CC=CCC1 37946907 171041047 /nfs/dbraw/zinc/04/10/47/171041047.db2.gz SZZIDGHJZMHKTM-NWDGAFQWSA-N 0 0 190.290 2.234 10 30 AEEERN N#C[C@H](NCC1CC1)c1ccccc1 37946923 171041177 /nfs/dbraw/zinc/04/11/77/171041177.db2.gz SIDLAJUFYWRFFB-LBPRGKRZSA-N 0 0 186.258 2.251 10 30 AEEERN N#C[C@H](NCC1CC1)[C@@H]1CC=CCC1 37946908 171041367 /nfs/dbraw/zinc/04/13/67/171041367.db2.gz SZZIDGHJZMHKTM-NEPJUHHUSA-N 0 0 190.290 2.234 10 30 AEEERN C#C/C=C/C(=O)c1ccccc1 21990834 171041432 /nfs/dbraw/zinc/04/14/32/171041432.db2.gz CLUPMFASBUNNCX-YCRREMRBSA-N 0 0 156.184 2.059 10 30 AEEERN N#C[C@H](N)c1cccc2ccccc12 22221858 171042041 /nfs/dbraw/zinc/04/20/41/171042041.db2.gz XPGQHWHPFHPXSH-LBPRGKRZSA-N 0 0 182.226 2.363 10 30 AEEERN N#C[C@@H](N)c1cccc2ccccc12 22221860 171042175 /nfs/dbraw/zinc/04/21/75/171042175.db2.gz XPGQHWHPFHPXSH-GFCCVEGCSA-N 0 0 182.226 2.363 10 30 AEEERN N#CCC/C=C/CCC#N 22065449 171042258 /nfs/dbraw/zinc/04/22/58/171042258.db2.gz IEJCIJGHMBBDMU-OWOJBTEDSA-N 0 0 134.182 2.150 10 30 AEEERN N#CCCC1(C=O)CCCC1 24540594 171044125 /nfs/dbraw/zinc/04/41/25/171044125.db2.gz QTUIISDNQNFTPG-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN CC(=O)/C=C/c1ccc(C#N)cc1 26387335 171044746 /nfs/dbraw/zinc/04/47/46/171044746.db2.gz HQBRLWSRWSICCF-NSCUHMNNSA-N 0 0 171.199 2.160 10 30 AEEERN C[Si](C)(C)C#CCCCCO 196090262 171044846 /nfs/dbraw/zinc/04/48/46/171044846.db2.gz ZLWMSSFYDZHCSZ-UHFFFAOYSA-N 0 0 170.328 2.030 10 30 AEEERN CC(=O)/C=C/c1cccc(C#N)c1 26386188 171044953 /nfs/dbraw/zinc/04/49/53/171044953.db2.gz SRLASSFMVWNIAM-AATRIKPKSA-N 0 0 171.199 2.160 10 30 AEEERN CC(=O)/C=C/c1cccc(F)c1 26380972 171044990 /nfs/dbraw/zinc/04/49/90/171044990.db2.gz HMPIVEBXKYNVET-AATRIKPKSA-N 0 0 164.179 2.428 10 30 AEEERN CC(=O)/C=C/c1cccc(C)c1O 26384666 171045311 /nfs/dbraw/zinc/04/53/11/171045311.db2.gz SFUMQDJDHRXEDP-VOTSOKGWSA-N 0 0 176.215 2.303 10 30 AEEERN COc1ccccc1CC[C@H](C)C=O 38996493 171045694 /nfs/dbraw/zinc/04/56/94/171045694.db2.gz NRSALLNKEOSZAJ-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN N#Cc1ncc(Oc2ccccc2)cn1 39090653 171045890 /nfs/dbraw/zinc/04/58/90/171045890.db2.gz FJPKWXRUBVXWHG-UHFFFAOYSA-N 0 0 197.197 2.141 10 30 AEEERN COc1ccccc1CC[C@@H](C)C=O 38996494 171046193 /nfs/dbraw/zinc/04/61/93/171046193.db2.gz NRSALLNKEOSZAJ-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN N#CCCCc1ccc([N+](=O)[O-])cc1 39258106 171047148 /nfs/dbraw/zinc/04/71/48/171047148.db2.gz REYKJCQDLPKSCX-UHFFFAOYSA-N 0 0 190.202 2.441 10 30 AEEERN CC(=O)/C=C/c1cccc(F)c1O 28525062 171047757 /nfs/dbraw/zinc/04/77/57/171047757.db2.gz FBEFWOVSMNHNGN-AATRIKPKSA-N 0 0 180.178 2.134 10 30 AEEERN C=C(C)CC(=O)CC(F)(F)F 17410228 171048609 /nfs/dbraw/zinc/04/86/09/171048609.db2.gz QYQAWAILNYHYGZ-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN CCC/C=C1/CCCC1=O 31318256 171048721 /nfs/dbraw/zinc/04/87/21/171048721.db2.gz PJDOECJDCGNWBG-YVMONPNESA-N 0 0 138.210 2.466 10 30 AEEERN COc1ccccc1N[C@@H](C)CC#N 32008247 171049211 /nfs/dbraw/zinc/04/92/11/171049211.db2.gz YRFGZMNWLIOPIR-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN COc1ccccc1N[C@H](C)CC#N 32008249 171049367 /nfs/dbraw/zinc/04/93/67/171049367.db2.gz YRFGZMNWLIOPIR-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN COc1ccccc1NC[C@H](C)C#N 32008259 171049423 /nfs/dbraw/zinc/04/94/23/171049423.db2.gz KZLKDYGKMYCEKJ-SECBINFHSA-N 0 0 190.246 2.267 10 30 AEEERN SCCc1noc2ccccc12 31888702 171049541 /nfs/dbraw/zinc/04/95/41/171049541.db2.gz RBOITTDIGCGEGE-UHFFFAOYSA-N 0 0 179.244 2.300 10 30 AEEERN COc1ccc(NC[C@H](C)C#N)cc1 32008265 171049572 /nfs/dbraw/zinc/04/95/72/171049572.db2.gz OBUWNMGDZOLRRL-SECBINFHSA-N 0 0 190.246 2.267 10 30 AEEERN COc1ccccc1C1=CC(=O)CC1 32008012 171049591 /nfs/dbraw/zinc/04/95/91/171049591.db2.gz QTMAWDVICVSHIG-UHFFFAOYSA-N 0 0 188.226 2.442 10 30 AEEERN COc1ccc(N[C@@H](C)CC#N)cc1 32008254 171049613 /nfs/dbraw/zinc/04/96/13/171049613.db2.gz SAYOYQITDRETBF-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN COc1ccccc1NC[C@@H](C)C#N 32008257 171049619 /nfs/dbraw/zinc/04/96/19/171049619.db2.gz KZLKDYGKMYCEKJ-VIFPVBQESA-N 0 0 190.246 2.267 10 30 AEEERN COc1ccc(N[C@H](C)CC#N)cc1 32008255 171049750 /nfs/dbraw/zinc/04/97/50/171049750.db2.gz SAYOYQITDRETBF-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN COc1ccc(NC[C@@H](C)C#N)cc1 32008264 171049815 /nfs/dbraw/zinc/04/98/15/171049815.db2.gz OBUWNMGDZOLRRL-VIFPVBQESA-N 0 0 190.246 2.267 10 30 AEEERN N#CCC(=S)NC1CCCCC1 33373264 171050267 /nfs/dbraw/zinc/05/02/67/171050267.db2.gz FPJLBVWWFWUYCI-UHFFFAOYSA-N 0 0 182.292 2.150 10 30 AEEERN N#CCC(=S)Nc1ccccc1 33373263 171050285 /nfs/dbraw/zinc/05/02/85/171050285.db2.gz HHYZGTJSYORMHK-UHFFFAOYSA-N 0 0 176.244 2.340 10 30 AEEERN N#CCC(=S)NCc1ccccc1 33373262 171050340 /nfs/dbraw/zinc/05/03/40/171050340.db2.gz HJXMUCVSNFNJLC-UHFFFAOYSA-N 0 0 190.271 2.017 10 30 AEEERN CC(C)/N=C/C(C)(C)Cl 32600868 171050711 /nfs/dbraw/zinc/05/07/11/171050711.db2.gz CTSTWNAEHYFLIY-WEVVVXLNSA-N 0 0 147.649 2.483 10 30 AEEERN O=C1C=C(C2CCCC2)CC1 33611188 171051408 /nfs/dbraw/zinc/05/14/08/171051408.db2.gz YRNQRAJKGKXBNX-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN CC(C)=C1CCCC1=O 33835062 171051597 /nfs/dbraw/zinc/05/15/97/171051597.db2.gz JNPHXXOADOMUQP-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN N#CCCNc1cc(Cl)ccc1O 33432904 171051748 /nfs/dbraw/zinc/05/17/48/171051748.db2.gz MWWOCYORLREOJC-UHFFFAOYSA-N 0 0 196.637 2.371 10 30 AEEERN CC(C)/C=C1\CCCC1=O 33841430 171052019 /nfs/dbraw/zinc/05/20/19/171052019.db2.gz GSSRLAIHCZNDAA-SOFGYWHQSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C/C1=CCCC1 33843955 171052171 /nfs/dbraw/zinc/05/21/71/171052171.db2.gz IDLQFRFWMQEXJQ-VOTSOKGWSA-N 0 0 136.194 2.242 10 30 AEEERN C/C=C/C(=O)c1cc(C)ccc1O 33845942 171052345 /nfs/dbraw/zinc/05/23/45/171052345.db2.gz OKPZKERIUKBJIH-ONEGZZNKSA-N 0 0 176.215 2.459 10 30 AEEERN N#CCCCc1ccc(O)cc1 34153979 171052945 /nfs/dbraw/zinc/05/29/45/171052945.db2.gz NXSICOWXBLNSCT-UHFFFAOYSA-N 0 0 161.204 2.238 10 30 AEEERN N#Cc1ccc2cc(CO)sc2c1 34091275 171053043 /nfs/dbraw/zinc/05/30/43/171053043.db2.gz PGGVGEKJFJTVGU-UHFFFAOYSA-N 0 0 189.239 2.265 10 30 AEEERN O=C1C=C(c2ccco2)CCC1 34159987 171053199 /nfs/dbraw/zinc/05/31/99/171053199.db2.gz MYJAORIQTGPWJN-UHFFFAOYSA-N 0 0 162.188 2.416 10 30 AEEERN CCC/C=C\CCC=O 34215559 171053842 /nfs/dbraw/zinc/05/38/42/171053842.db2.gz ICPZCFJMCZRIPY-PLNGDYQASA-N 0 0 126.199 2.322 10 30 AEEERN SCCOC1CCCCC1 34241779 171053872 /nfs/dbraw/zinc/05/38/72/171053872.db2.gz XIUCLMKGFYHWAB-UHFFFAOYSA-N 0 0 160.282 2.266 10 30 AEEERN C/C=C/C(=O)C1=CCCC1 34319981 171054417 /nfs/dbraw/zinc/05/44/17/171054417.db2.gz LFVQJRPAPLSLSI-GORDUTHDSA-N 0 0 136.194 2.242 10 30 AEEERN CC(C)=C/C=C/[C@H](C)C=O 34290460 171055163 /nfs/dbraw/zinc/05/51/63/171055163.db2.gz MWOSZASKCJRAKQ-DNQSNQRASA-N 0 0 138.210 2.344 10 30 AEEERN SCCOCc1ccccc1 34320165 171055224 /nfs/dbraw/zinc/05/52/24/171055224.db2.gz MLPUTMWQACGTCT-UHFFFAOYSA-N 0 0 168.261 2.133 10 30 AEEERN N#Cc1nccn1C1CCCCC1 34499716 171055872 /nfs/dbraw/zinc/05/58/72/171055872.db2.gz MBYWITZBWARMGE-UHFFFAOYSA-N 0 0 175.235 2.260 10 30 AEEERN C=CC(=O)CC(C)(C)C 34596184 171056315 /nfs/dbraw/zinc/05/63/15/171056315.db2.gz CIVQRCGKGDRUNK-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN CC(=O)O[C@@H](C#N)C1CCCCC1 34545859 171056633 /nfs/dbraw/zinc/05/66/33/171056633.db2.gz DQLIFIWZFUGIAV-JTQLQIEISA-N 0 0 181.235 2.022 10 30 AEEERN CC(=O)/C=C/C1CCCC1 34582367 171056664 /nfs/dbraw/zinc/05/66/64/171056664.db2.gz FXCGNHKOGUWOTG-VOTSOKGWSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)[C@@H]1CC(=O)C=C(C)C1 34582525 171056784 /nfs/dbraw/zinc/05/67/84/171056784.db2.gz QEIYJIPGTLKBMK-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)/C=N/[S@](=O)C(C)(C)C 34638685 171057238 /nfs/dbraw/zinc/05/72/38/171057238.db2.gz FUZSYHCWXNPGMV-LAHYYIKRSA-N 0 0 175.297 2.175 10 30 AEEERN N#C[C@@H](NC1CC1)c1ccsc1 34973901 171057307 /nfs/dbraw/zinc/05/73/07/171057307.db2.gz IGBQUFYJVGCTDP-SECBINFHSA-N 0 0 178.260 2.065 10 30 AEEERN CCCN[C@@H](C#N)c1ccsc1 34939518 171057354 /nfs/dbraw/zinc/05/73/54/171057354.db2.gz RIZSJSJRPDUAAV-VIFPVBQESA-N 0 0 180.276 2.312 10 30 AEEERN C[C@H]1CC[C@@H](C)/C(=N/O)C1 34764622 171057385 /nfs/dbraw/zinc/05/73/85/171057385.db2.gz IFVIXLSUAKEPKV-DXOPJGFUSA-N 0 0 141.214 2.273 10 30 AEEERN CC(C)/C=N/[S@@](=O)C(C)(C)C 34638684 171057524 /nfs/dbraw/zinc/05/75/24/171057524.db2.gz FUZSYHCWXNPGMV-OALRPVAKSA-N 0 0 175.297 2.175 10 30 AEEERN N#CC1(NC2CC2)CCCCCC1 34973880 171057528 /nfs/dbraw/zinc/05/75/28/171057528.db2.gz AMFMZIGMCAKQGE-UHFFFAOYSA-N 0 0 178.279 2.355 10 30 AEEERN COc1ccc2[nH]c(CC#N)cc2c1 34768872 171057572 /nfs/dbraw/zinc/05/75/72/171057572.db2.gz XLMMVEUKBGDFNM-UHFFFAOYSA-N 0 0 186.214 2.243 10 30 AEEERN N#C[C@H](NC1CC1)c1ccsc1 34973903 171057691 /nfs/dbraw/zinc/05/76/91/171057691.db2.gz IGBQUFYJVGCTDP-VIFPVBQESA-N 0 0 178.260 2.065 10 30 AEEERN CCNc1ccc(CC#N)cc1 35037781 171058346 /nfs/dbraw/zinc/05/83/46/171058346.db2.gz CGIBPQZDQWCVOK-UHFFFAOYSA-N 0 0 160.220 2.184 10 30 AEEERN CC(=O)c1cc(C)ccc1OCC#N 35205791 171058534 /nfs/dbraw/zinc/05/85/34/171058534.db2.gz ZLFICUFWUIKRQU-UHFFFAOYSA-N 0 0 189.214 2.100 10 30 AEEERN CC(C)c1cn2cc(C#N)ccc2n1 36244171 171059684 /nfs/dbraw/zinc/05/96/84/171059684.db2.gz YMGLTDSJSCBJRW-UHFFFAOYSA-N 0 0 185.230 2.329 10 30 AEEERN N#Cc1ccc2[nH]c(C3CC3)nc2c1 36198147 171059810 /nfs/dbraw/zinc/05/98/10/171059810.db2.gz UVKDPCLUXOBZGE-UHFFFAOYSA-N 0 0 183.214 2.312 10 30 AEEERN C=CCCCC(=S)N(C)C 36447971 171060429 /nfs/dbraw/zinc/06/04/29/171060429.db2.gz SGXSMWSJUBISDT-UHFFFAOYSA-N 0 0 157.282 2.232 10 30 AEEERN N#CCCC(=O)C1CCCCC1 36419860 171060560 /nfs/dbraw/zinc/06/05/60/171060560.db2.gz KTGSUCRDRMDCGV-UHFFFAOYSA-N 0 0 165.236 2.440 10 30 AEEERN Cc1ccccc1C(=O)CCC#N 36303530 171060741 /nfs/dbraw/zinc/06/07/41/171060741.db2.gz GWQSGFSXMNFNBS-UHFFFAOYSA-N 0 0 173.215 2.482 10 30 AEEERN N#CCCC(=O)c1cc(F)ccc1F 36303476 171060852 /nfs/dbraw/zinc/06/08/52/171060852.db2.gz AYYJIJNSVWYJPS-UHFFFAOYSA-N 0 0 195.168 2.451 10 30 AEEERN N#CCCC(=O)c1ccc(F)cc1F 36303514 171060883 /nfs/dbraw/zinc/06/08/83/171060883.db2.gz GSDHNMNTDBPJDY-UHFFFAOYSA-N 0 0 195.168 2.451 10 30 AEEERN C=Cc1ccccc1COC[C@@H]1CO1 36372527 171060901 /nfs/dbraw/zinc/06/09/01/171060901.db2.gz JFWFAUHHNYTWOO-GFCCVEGCSA-N 0 0 190.242 2.245 10 30 AEEERN N#CCCC(=O)c1c(F)cccc1F 36303494 171061019 /nfs/dbraw/zinc/06/10/19/171061019.db2.gz MUCQLJCDVNSMNS-UHFFFAOYSA-N 0 0 195.168 2.451 10 30 AEEERN N#CCCC(=O)c1ccc(F)c(F)c1 36303545 171061056 /nfs/dbraw/zinc/06/10/56/171061056.db2.gz RXLXNXOGJOBDAP-UHFFFAOYSA-N 0 0 195.168 2.451 10 30 AEEERN CC/C=C\C=C\[C@@H]1C[C@@H]1C=O 36447905 171061069 /nfs/dbraw/zinc/06/10/69/171061069.db2.gz GVUBFZQUXOQYAR-HCXXOREESA-N 0 0 150.221 2.344 10 30 AEEERN N#CCCNc1cc(F)cc(F)c1 36730520 171061469 /nfs/dbraw/zinc/06/14/69/171061469.db2.gz KAHVUXXAALIOCD-UHFFFAOYSA-N 0 0 182.173 2.290 10 30 AEEERN CC(=O)/C=C/C#Cc1ccccc1 36466483 171061747 /nfs/dbraw/zinc/06/17/47/171061747.db2.gz FDGMOOZVRWSPIX-FNORWQNLSA-N 0 0 170.211 2.183 10 30 AEEERN COc1ccccc1C(=O)[C@H](C)C#N 36935047 171062081 /nfs/dbraw/zinc/06/20/81/171062081.db2.gz DUHNJKSBXYIQOJ-MRVPVSSYSA-N 0 0 189.214 2.038 10 30 AEEERN N#C[C@H](NC1CC1)C1CCCCC1 36924854 171062150 /nfs/dbraw/zinc/06/21/50/171062150.db2.gz CADICSBMPRUBIZ-NSHDSACASA-N 0 0 178.279 2.211 10 30 AEEERN N#C[C@H](NC1CC1)c1cccc(F)c1 36924884 171062172 /nfs/dbraw/zinc/06/21/72/171062172.db2.gz MHNOESPXFMNGCW-NSHDSACASA-N 0 0 190.221 2.142 10 30 AEEERN Cc1ccccc1C(=O)[C@@H](C)C#N 36931622 171062248 /nfs/dbraw/zinc/06/22/48/171062248.db2.gz VRKLSRWJJCIXGR-VIFPVBQESA-N 0 0 173.215 2.337 10 30 AEEERN Cc1ccccc1C(=O)[C@H](C)C#N 36931623 171062277 /nfs/dbraw/zinc/06/22/77/171062277.db2.gz VRKLSRWJJCIXGR-SECBINFHSA-N 0 0 173.215 2.337 10 30 AEEERN N#C[C@@H](NC1CC1)c1cccc(F)c1 36924883 171062377 /nfs/dbraw/zinc/06/23/77/171062377.db2.gz MHNOESPXFMNGCW-LLVKDONJSA-N 0 0 190.221 2.142 10 30 AEEERN C#Cc1cccc(NC[C@H](C)C#N)c1 36986653 171062475 /nfs/dbraw/zinc/06/24/75/171062475.db2.gz LZKUOZHWVZGPQN-SNVBAGLBSA-N 0 0 184.242 2.239 10 30 AEEERN N#C[C@@H](NC1CC1)C1CCCCC1 36924853 171062477 /nfs/dbraw/zinc/06/24/77/171062477.db2.gz CADICSBMPRUBIZ-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN C#Cc1cccc(NC[C@@H](C)C#N)c1 36986654 171062508 /nfs/dbraw/zinc/06/25/08/171062508.db2.gz LZKUOZHWVZGPQN-JTQLQIEISA-N 0 0 184.242 2.239 10 30 AEEERN COc1ccccc1C(=O)[C@@H](C)C#N 36935045 171062525 /nfs/dbraw/zinc/06/25/25/171062525.db2.gz DUHNJKSBXYIQOJ-QMMMGPOBSA-N 0 0 189.214 2.038 10 30 AEEERN COc1ccccc1[C@@H](C)C#N 37245535 171062863 /nfs/dbraw/zinc/06/28/63/171062863.db2.gz IHBPMWBJAWZDBI-QMMMGPOBSA-N 0 0 161.204 2.322 10 30 AEEERN N#C[C@@H](c1ccsc1)N1CCCC1 37355597 171063672 /nfs/dbraw/zinc/06/36/72/171063672.db2.gz SKRHOTUUCMSGGT-JTQLQIEISA-N 0 0 192.287 2.409 10 30 AEEERN N#C[C@@H]([C@H]1CC=CCC1)N1CCCC1 37355441 171063693 /nfs/dbraw/zinc/06/36/93/171063693.db2.gz HVZHKUYANOJBTQ-RYUDHWBXSA-N 0 0 190.290 2.331 10 30 AEEERN CN(C)[C@@H](C#N)c1cc(F)ccc1F 37354974 171063762 /nfs/dbraw/zinc/06/37/62/171063762.db2.gz KDEXIKIMXGFILD-JTQLQIEISA-N 0 0 196.200 2.091 10 30 AEEERN N#C[C@H]([C@H]1CC=CCC1)N1CCCC1 37355442 171064025 /nfs/dbraw/zinc/06/40/25/171064025.db2.gz HVZHKUYANOJBTQ-NWDGAFQWSA-N 0 0 190.290 2.331 10 30 AEEERN CN(C)[C@@H](C#N)c1ccc(F)c(F)c1 37355067 171064083 /nfs/dbraw/zinc/06/40/83/171064083.db2.gz SZLBJKKNVRHUAS-JTQLQIEISA-N 0 0 196.200 2.091 10 30 AEEERN N#C[C@H]([C@@H]1CC=CCC1)N1CCCC1 37355444 171064107 /nfs/dbraw/zinc/06/41/07/171064107.db2.gz HVZHKUYANOJBTQ-VXGBXAGGSA-N 0 0 190.290 2.331 10 30 AEEERN N#C[C@H](c1ccsc1)N1CCCC1 37355596 171064145 /nfs/dbraw/zinc/06/41/45/171064145.db2.gz SKRHOTUUCMSGGT-SNVBAGLBSA-N 0 0 192.287 2.409 10 30 AEEERN CN(C)[C@@H](C#N)C1CCCCC1 37354897 171064212 /nfs/dbraw/zinc/06/42/12/171064212.db2.gz QGLRHDDBLIOBRB-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN CN(C)[C@@H](C#N)c1ccc(F)cc1F 37354804 171064232 /nfs/dbraw/zinc/06/42/32/171064232.db2.gz XHRPYBBBEQHBQR-JTQLQIEISA-N 0 0 196.200 2.091 10 30 AEEERN CN(C)[C@@H](C#N)c1c(F)cccc1F 37355063 171064252 /nfs/dbraw/zinc/06/42/52/171064252.db2.gz HPVCFWPQLPCIOP-VIFPVBQESA-N 0 0 196.200 2.091 10 30 AEEERN N#C[C@@H]([C@@H]1CC=CCC1)N1CCCC1 37355443 171064381 /nfs/dbraw/zinc/06/43/81/171064381.db2.gz HVZHKUYANOJBTQ-NEPJUHHUSA-N 0 0 190.290 2.331 10 30 AEEERN N#C[C@@H](C=O)c1c(F)cccc1Cl 37354627 171064397 /nfs/dbraw/zinc/06/43/97/171064397.db2.gz MNPKSRSURXEZDB-LURJTMIESA-N 0 0 197.596 2.285 10 30 AEEERN CC#C[C@@]12CCCCC[C@H]1O2 39049785 171064617 /nfs/dbraw/zinc/06/46/17/171064617.db2.gz DCRZDFZSBMTHQK-NXEZZACHSA-N 0 0 150.221 2.111 10 30 AEEERN CCc1[nH]c(C)c(C#N)c1C 37624452 171064648 /nfs/dbraw/zinc/06/46/48/171064648.db2.gz PBDNYPVCFJDKHN-UHFFFAOYSA-N 0 0 148.209 2.066 10 30 AEEERN CC#C[C@]12CCCCC[C@@H]1O2 39049783 171064868 /nfs/dbraw/zinc/06/48/68/171064868.db2.gz DCRZDFZSBMTHQK-UWVGGRQHSA-N 0 0 150.221 2.111 10 30 AEEERN COc1ccccc1C[C@@H](C)C#N 37735082 171065684 /nfs/dbraw/zinc/06/56/84/171065684.db2.gz AFZJMYUYFBHYTP-SECBINFHSA-N 0 0 175.231 2.397 10 30 AEEERN N#Cc1ccccc1NCC(F)F 37755774 171065858 /nfs/dbraw/zinc/06/58/58/171065858.db2.gz AUVJGEZCIWZXRC-UHFFFAOYSA-N 0 0 182.173 2.235 10 30 AEEERN COc1ccccc1C[C@H](C)C#N 37735081 171065917 /nfs/dbraw/zinc/06/59/17/171065917.db2.gz AFZJMYUYFBHYTP-VIFPVBQESA-N 0 0 175.231 2.397 10 30 AEEERN C#Cc1cccc(N[C@@H](C)CC#N)c1 37871065 171066362 /nfs/dbraw/zinc/06/63/62/171066362.db2.gz QOQMNXVQGYESPO-JTQLQIEISA-N 0 0 184.242 2.382 10 30 AEEERN C#Cc1cccc(N[C@H](C)CC#N)c1 37871066 171066449 /nfs/dbraw/zinc/06/64/49/171066449.db2.gz QOQMNXVQGYESPO-SNVBAGLBSA-N 0 0 184.242 2.382 10 30 AEEERN COc1ccccc1NC(C)(C)C#N 37857016 171066571 /nfs/dbraw/zinc/06/65/71/171066571.db2.gz BXDXOHFUOFCURN-UHFFFAOYSA-N 0 0 190.246 2.409 10 30 AEEERN N#Cc1ccc(Oc2cccnn2)cc1 73311863 171066741 /nfs/dbraw/zinc/06/67/41/171066741.db2.gz QBENUVCASQTNHQ-UHFFFAOYSA-N 0 0 197.197 2.141 10 30 AEEERN CC(=O)C[C@@H](C)C1(C=O)CCCC1 75576043 171067050 /nfs/dbraw/zinc/06/70/50/171067050.db2.gz NMASVQWSCMKNHC-SECBINFHSA-N 0 0 182.263 2.361 10 30 AEEERN N#CC1(NCc2cccs2)CCC1 37939758 171067081 /nfs/dbraw/zinc/06/70/81/171067081.db2.gz JTIQANXKEGDMSM-UHFFFAOYSA-N 0 0 192.287 2.284 10 30 AEEERN CC(=O)C[C@H](C)C1(C=O)CCCC1 75576042 171067176 /nfs/dbraw/zinc/06/71/76/171067176.db2.gz NMASVQWSCMKNHC-VIFPVBQESA-N 0 0 182.263 2.361 10 30 AEEERN N#CC1(NC2CCCCC2)CCC1 37969545 171067254 /nfs/dbraw/zinc/06/72/54/171067254.db2.gz QFKLPTDBDDSBMZ-UHFFFAOYSA-N 0 0 178.279 2.355 10 30 AEEERN COc1ccc(N[C@@H](C)C#N)cc1 37936584 171067258 /nfs/dbraw/zinc/06/72/58/171067258.db2.gz DIEDWGVVVMZRHQ-QMMMGPOBSA-N 0 0 176.219 2.019 10 30 AEEERN N#CC1(NCC2CC2)CCCCC1 37946702 171067320 /nfs/dbraw/zinc/06/73/20/171067320.db2.gz QVXVINYXMGUKOU-UHFFFAOYSA-N 0 0 178.279 2.212 10 30 AEEERN COc1ccccc1[C@@H](C)CC=O 75568550 171067430 /nfs/dbraw/zinc/06/74/30/171067430.db2.gz RXSRMJVVWPGCQG-VIFPVBQESA-N 0 0 178.231 2.388 10 30 AEEERN COc1ccc(N[C@H](C)C#N)cc1 37936585 171067474 /nfs/dbraw/zinc/06/74/74/171067474.db2.gz DIEDWGVVVMZRHQ-MRVPVSSYSA-N 0 0 176.219 2.019 10 30 AEEERN CCO/N=C(\C)C1(O)CCCCC1 38174926 171068603 /nfs/dbraw/zinc/06/86/03/171068603.db2.gz GAIYLCGQNFUPMB-PKNBQFBNSA-N 0 0 185.267 2.094 10 30 AEEERN N#CC1(N2CCCCCC2)CCC1 38086256 171068705 /nfs/dbraw/zinc/06/87/05/171068705.db2.gz HGTNTBOHROROBH-UHFFFAOYSA-N 0 0 178.279 2.309 10 30 AEEERN CCC/C=N\[S@](=O)C(C)(C)C 38265949 171068718 /nfs/dbraw/zinc/06/87/18/171068718.db2.gz ZBFJREMTWBYHFO-DVBBHNHCSA-N 0 0 175.297 2.320 10 30 AEEERN N#CCCCCn1cccc1 38433747 171069121 /nfs/dbraw/zinc/06/91/21/171069121.db2.gz QZFYJAUAXZSRTO-UHFFFAOYSA-N 0 0 148.209 2.182 10 30 AEEERN C#CCCCSCC 38433641 171069158 /nfs/dbraw/zinc/06/91/58/171069158.db2.gz KPIKWDRHHHHJIF-UHFFFAOYSA-N 0 0 128.240 2.153 10 30 AEEERN CC(C)(C)C(=O)C1=CCCCO1 38282292 171069162 /nfs/dbraw/zinc/06/91/62/171069162.db2.gz NCGUCLBYJIUQTF-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN N#C[C@H](c1ccccc1)c1cccnn1 38283456 171069241 /nfs/dbraw/zinc/06/92/41/171069241.db2.gz CQLWECMSEWNQQP-LLVKDONJSA-N 0 0 195.225 2.132 10 30 AEEERN C/C=C\N=C\c1cccnc1 38282078 171069401 /nfs/dbraw/zinc/06/94/01/171069401.db2.gz UGYRUDLKXMIKQE-OWRPWHPPSA-N 0 0 146.193 2.034 10 30 AEEERN C=C=CC1=C(C)C(=O)CC1 38312149 171069422 /nfs/dbraw/zinc/06/94/22/171069422.db2.gz VXWVBXBHSSXWGU-UHFFFAOYSA-N 0 0 134.178 2.007 10 30 AEEERN N#Cc1ccc([C@@H]2CC(=O)C=CO2)cc1 38363573 171069437 /nfs/dbraw/zinc/06/94/37/171069437.db2.gz OVSJNZNMIMTAQR-LBPRGKRZSA-N 0 0 199.209 2.102 10 30 AEEERN CC/C=C/[C@@H](C=O)CC 38281963 171069597 /nfs/dbraw/zinc/06/95/97/171069597.db2.gz UQHUGDVZNYJETO-GJIOHYHPSA-N 0 0 126.199 2.178 10 30 AEEERN C/C=C/C/C=C/CCC=O 38292381 171069632 /nfs/dbraw/zinc/06/96/32/171069632.db2.gz IYFVVPDNVGCXEQ-ZIMISOLQSA-N 0 0 138.210 2.488 10 30 AEEERN CC/C=C1\CCCC1=O 38613802 171070005 /nfs/dbraw/zinc/07/00/05/171070005.db2.gz RBBXMNMQOGQFMV-QPJJXVBHSA-N 0 0 124.183 2.076 10 30 AEEERN [N-]=[N+]=Nc1nccs1 38884830 171070504 /nfs/dbraw/zinc/07/05/04/171070504.db2.gz CFWLDMPZIUKHAC-UHFFFAOYSA-N 0 0 126.144 2.085 10 30 in-vitro AEEERN N#CCCC[C@H]1CCCC1=O 38948860 171070589 /nfs/dbraw/zinc/07/05/89/171070589.db2.gz CPQVALOVUFCZAE-QMMMGPOBSA-N 0 0 151.209 2.049 10 30 AEEERN COc1ccccc1C/C(C)=N/O 38822548 171070602 /nfs/dbraw/zinc/07/06/02/171070602.db2.gz GBJMYMLSKUVGCD-DHZHZOJOSA-N 0 0 179.219 2.088 10 30 AEEERN CC1(C)O[C@H]1CNc1ccccc1 38804137 171070644 /nfs/dbraw/zinc/07/06/44/171070644.db2.gz IMPMMLLNQJRVEN-JTQLQIEISA-N 0 0 177.247 2.276 10 30 AEEERN N#CCC1(O)C2CC3CC(C2)CC1C3 38846446 171070672 /nfs/dbraw/zinc/07/06/72/171070672.db2.gz GQSBMOVDFAGONV-UHFFFAOYSA-N 0 0 191.274 2.087 10 30 AEEERN O=C(/C=C\c1ccncc1)C1CC1 38804737 171070727 /nfs/dbraw/zinc/07/07/27/171070727.db2.gz UZSYJXGBXWHERK-RJRFIUFISA-N 0 0 173.215 2.074 10 30 AEEERN CC1(C)O[C@@H]1CNc1ccccc1 38804139 171070841 /nfs/dbraw/zinc/07/08/41/171070841.db2.gz IMPMMLLNQJRVEN-SNVBAGLBSA-N 0 0 177.247 2.276 10 30 AEEERN N#CCCC[C@@H]1CCCC1=O 38948862 171070899 /nfs/dbraw/zinc/07/08/99/171070899.db2.gz CPQVALOVUFCZAE-MRVPVSSYSA-N 0 0 151.209 2.049 10 30 AEEERN C=C=CC1=CC(=O)CCC1 39049078 171071277 /nfs/dbraw/zinc/07/12/77/171071277.db2.gz ZDQVJQDDONHQAP-UHFFFAOYSA-N 0 0 134.178 2.007 10 30 AEEERN C=C=CC1=C(C)C(=O)CCC1 39049637 171071506 /nfs/dbraw/zinc/07/15/06/171071506.db2.gz KYHFJQQTUICZDZ-UHFFFAOYSA-N 0 0 148.205 2.397 10 30 AEEERN N#CC(F)(F)C(=O)c1ccccc1 39054990 171071821 /nfs/dbraw/zinc/07/18/21/171071821.db2.gz SKGHUYIMVHKRBC-UHFFFAOYSA-N 0 0 181.141 2.028 10 30 AEEERN CC1(C)[C@H]2CC[C@@H]1C[C@@H]2C=O 39062222 171072178 /nfs/dbraw/zinc/07/21/78/171072178.db2.gz TUKANODGLOKJPS-HLTSFMKQSA-N 0 0 152.237 2.258 10 30 AEEERN CC1(C)[C@H]2CC[C@@H]1[C@H](C=O)C2 39062270 171072280 /nfs/dbraw/zinc/07/22/80/171072280.db2.gz TUKANODGLOKJPS-XHNCKOQMSA-N 0 0 152.237 2.258 10 30 AEEERN CC1(C)[C@H]2CC[C@@H]1[C@@H](C=O)C2 39062268 171072292 /nfs/dbraw/zinc/07/22/92/171072292.db2.gz TUKANODGLOKJPS-HRDYMLBCSA-N 0 0 152.237 2.258 10 30 AEEERN CC=C=NC(=O)c1ccccc1 39065355 171072377 /nfs/dbraw/zinc/07/23/77/171072377.db2.gz KJFBEDHOWYVRBU-UHFFFAOYSA-N 0 0 159.188 2.073 10 30 AEEERN CC(C)(C)SC1(C=O)CC1 39063234 171072486 /nfs/dbraw/zinc/07/24/86/171072486.db2.gz VODINIFSMLMXFC-UHFFFAOYSA-N 0 0 158.266 2.250 10 30 AEEERN C/C=C\[C@@H]1CC=CC[C@H]1C=O 39061944 171072570 /nfs/dbraw/zinc/07/25/70/171072570.db2.gz MGIQAPUZWNNIFJ-WYCCQELTSA-N 0 0 150.221 2.344 10 30 AEEERN C/C=C\[C@@H]1CC=CC[C@@H]1C=O 39061941 171072610 /nfs/dbraw/zinc/07/26/10/171072610.db2.gz MGIQAPUZWNNIFJ-ICFXRCHLSA-N 0 0 150.221 2.344 10 30 AEEERN CC1(C)[C@H]2CC[C@@H]1C[C@H]2C=O 39062220 171072676 /nfs/dbraw/zinc/07/26/76/171072676.db2.gz TUKANODGLOKJPS-YIZRAAEISA-N 0 0 152.237 2.258 10 30 AEEERN CC(=O)C(=C1CC1)C1CC1 39068726 171072807 /nfs/dbraw/zinc/07/28/07/171072807.db2.gz PNQDLUGNWMOJPC-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN CC(=O)/C=C/C(C)=C(C)C 39068863 171072813 /nfs/dbraw/zinc/07/28/13/171072813.db2.gz HMQCXPCJOASTMK-AATRIKPKSA-N 0 0 138.210 2.488 10 30 AEEERN C=C/C(=C/SC)C(C)=O 39069200 171072850 /nfs/dbraw/zinc/07/28/50/171072850.db2.gz QBDZPTKFELUEME-ALCCZGGFSA-N 0 0 142.223 2.008 10 30 AEEERN CCC/C=C\C=C\C(C)=O 39068857 171072879 /nfs/dbraw/zinc/07/28/79/171072879.db2.gz JETNPTUJXPNCAS-IGTJQSIKSA-N 0 0 138.210 2.488 10 30 AEEERN CC(=O)/C=C/C1(C)CCC1 39068888 171073047 /nfs/dbraw/zinc/07/30/47/171073047.db2.gz CRMSNXKNXNDOHJ-QPJJXVBHSA-N 0 0 138.210 2.322 10 30 AEEERN C=CCC(=C)C(=C)C(C)=O 39068712 171073136 /nfs/dbraw/zinc/07/31/36/171073136.db2.gz TZHVGXRRAKLLAU-UHFFFAOYSA-N 0 0 136.194 2.264 10 30 AEEERN C/C=C\[C@@H]1CC(C(C)=O)=C(C)O1 39072007 171073183 /nfs/dbraw/zinc/07/31/83/171073183.db2.gz RTAZVRNNHKEHFZ-XRVBUDJMSA-N 0 0 166.220 2.214 10 30 AEEERN CC/C=C\C/C=C/C(C)=O 39068834 171073189 /nfs/dbraw/zinc/07/31/89/171073189.db2.gz LXEYQCJEHJZVAR-KXKKYDSASA-N 0 0 138.210 2.488 10 30 AEEERN N#C[C@@H](F)c1ccc(F)cc1 39088559 171074032 /nfs/dbraw/zinc/07/40/32/171074032.db2.gz TYRBKHLDZNUEGI-MRVPVSSYSA-N 0 0 153.131 2.360 10 30 AEEERN COC1(C#N)CCCCCC1 39089207 171074137 /nfs/dbraw/zinc/07/41/37/171074137.db2.gz GELYVNWBNSIMOK-UHFFFAOYSA-N 0 0 153.225 2.249 10 30 AEEERN N#C[C@H](F)c1ccc(F)cc1 39088560 171074223 /nfs/dbraw/zinc/07/42/23/171074223.db2.gz TYRBKHLDZNUEGI-QMMMGPOBSA-N 0 0 153.131 2.360 10 30 AEEERN C=C=CC(=O)c1ccccc1F 39088968 171074303 /nfs/dbraw/zinc/07/43/03/171074303.db2.gz AHYFLIMGQJUZOL-UHFFFAOYSA-N 0 0 162.163 2.350 10 30 AEEERN CC1(C)[C@H]2C=C(F)C(=O)[C@@H]1C2 39088602 171074346 /nfs/dbraw/zinc/07/43/46/171074346.db2.gz NMTCOCDBDOWADG-RITPCOANSA-N 0 0 154.184 2.085 10 30 AEEERN COC1(C#N)CCC(C)CC1 39089206 171074482 /nfs/dbraw/zinc/07/44/82/171074482.db2.gz QFBJRNOKHYEDTF-UHFFFAOYSA-N 0 0 153.225 2.105 10 30 AEEERN CC(C)c1cccc(C#N)c(=O)c1 39104713 171074773 /nfs/dbraw/zinc/07/47/73/171074773.db2.gz SPUJMMXQOOZEJU-UHFFFAOYSA-N 0 0 173.215 2.042 10 30 AEEERN C=CC(=O)C[C@@]1(C)C=CCC1 39090838 171074926 /nfs/dbraw/zinc/07/49/26/171074926.db2.gz BWIQDIOJTPKXQZ-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C=CC(=O)C[C@]1(C)C=CCC1 39090837 171074935 /nfs/dbraw/zinc/07/49/35/171074935.db2.gz BWIQDIOJTPKXQZ-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)c1cccc(N)c1C#N 39103725 171074937 /nfs/dbraw/zinc/07/49/37/171074937.db2.gz KRHCNGWOAVWCRQ-UHFFFAOYSA-N 0 0 160.220 2.264 10 30 AEEERN CC(C)(O)C1=C2CCCC[C@@H]2CC1=O 39112393 171075220 /nfs/dbraw/zinc/07/52/20/171075220.db2.gz ZQLFYQZNCSJYSX-MRVPVSSYSA-N 0 0 194.274 2.217 10 30 AEEERN N#CC1(C#N)C[C@H]1C1CCCC1 39111744 171075245 /nfs/dbraw/zinc/07/52/45/171075245.db2.gz TZPACTQPQQWYJN-VIFPVBQESA-N 0 0 160.220 2.230 10 30 AEEERN N#CC1(C#N)C[C@@H]1C1CCCC1 39111745 171075353 /nfs/dbraw/zinc/07/53/53/171075353.db2.gz TZPACTQPQQWYJN-SECBINFHSA-N 0 0 160.220 2.230 10 30 AEEERN SCCCOC1CCCC1 39111727 171075628 /nfs/dbraw/zinc/07/56/28/171075628.db2.gz IMBSMHCCZDTWGJ-UHFFFAOYSA-N 0 0 160.282 2.266 10 30 AEEERN N#Cc1nccc2sccc12 39123456 171076106 /nfs/dbraw/zinc/07/61/06/171076106.db2.gz LRPMVYHDGPZDJK-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN N#Cc1nccc(-c2ccccc2)n1 39121287 171076116 /nfs/dbraw/zinc/07/61/16/171076116.db2.gz FNZVQVCHJNEFIQ-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN SCCN1CSc2ccccc21 39118895 171076215 /nfs/dbraw/zinc/07/62/15/171076215.db2.gz HVYDWJHEMIAHDY-UHFFFAOYSA-N 0 0 197.328 2.486 10 30 AEEERN COC1=CC(=O)C=CC12CCCC2 39119300 171076398 /nfs/dbraw/zinc/07/63/98/171076398.db2.gz ZFUJSWHOKWAQKP-UHFFFAOYSA-N 0 0 178.231 2.216 10 30 AEEERN CC(C)C(=O)C(F)=C(F)F 39125454 171076448 /nfs/dbraw/zinc/07/64/48/171076448.db2.gz FESMHSQMKJDWJF-UHFFFAOYSA-N 0 0 152.115 2.289 10 30 AEEERN N#Cc1nc2c(F)cc(F)cc2s1 39149000 171076619 /nfs/dbraw/zinc/07/66/19/171076619.db2.gz ZHWWRRNFIHCKAA-UHFFFAOYSA-N 0 0 196.181 2.446 10 30 AEEERN C=C(C)C(=O)C(C)(C)C 39190289 171076624 /nfs/dbraw/zinc/07/66/24/171076624.db2.gz BIDLAUQHNMVFGN-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN N#CCCCCOc1cccc(O)c1 39148325 171076879 /nfs/dbraw/zinc/07/68/79/171076879.db2.gz KJLIPDXSCYFHAU-UHFFFAOYSA-N 0 0 191.230 2.465 10 30 AEEERN C=Cc1ccccc1C#N 39189226 171076905 /nfs/dbraw/zinc/07/69/05/171076905.db2.gz SLENVLASKTZHDW-UHFFFAOYSA-N 0 0 129.162 2.201 10 30 AEEERN CCSC(C)(C)C#N 39194534 171076986 /nfs/dbraw/zinc/07/69/86/171076986.db2.gz UTJUCRVPRCSCTQ-UHFFFAOYSA-N 0 0 129.228 2.042 10 30 AEEERN N#Cc1c(O)ccc2occc12 39136290 171077011 /nfs/dbraw/zinc/07/70/11/171077011.db2.gz ZGXOEKXTBMDGDH-UHFFFAOYSA-N 0 0 159.144 2.010 10 30 AEEERN CC(=O)O[C@@H](C#N)c1cccc(C)c1 39254970 171077335 /nfs/dbraw/zinc/07/73/35/171077335.db2.gz IHLJZFODMZTEOE-NSHDSACASA-N 0 0 189.214 2.123 10 30 AEEERN C=C(C)C(=O)CCCC 39250315 171077371 /nfs/dbraw/zinc/07/73/71/171077371.db2.gz LXSZBHUGHMTGQC-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN O=C1C=Cc2c(Cl)cccc2C1=O 39208745 171077646 /nfs/dbraw/zinc/07/76/46/171077646.db2.gz AZPLQZRUQNBNDQ-UHFFFAOYSA-N 0 0 192.601 2.119 10 30 AEEERN CCCCc1cc(C#N)ccn1 39246169 171077709 /nfs/dbraw/zinc/07/77/09/171077709.db2.gz AFHMXUFBIAIDIT-UHFFFAOYSA-N 0 0 160.220 2.296 10 30 AEEERN N#Cc1ccc2sccc2n1 39318175 171077942 /nfs/dbraw/zinc/07/79/42/171077942.db2.gz AJUZQNNCFOSRGN-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN CCO/C=C1\CCCCC1=O 39262517 171078006 /nfs/dbraw/zinc/07/80/06/171078006.db2.gz WWMTWPZYVBEPOX-BQYQJAHWSA-N 0 0 154.209 2.050 10 30 AEEERN CC/C=C/CCC#N 39277556 171078059 /nfs/dbraw/zinc/07/80/59/171078059.db2.gz SSSHLJHNVHOOQF-ONEGZZNKSA-N 0 0 109.172 2.256 10 30 AEEERN CCC/C=C/CC#N 39277557 171078075 /nfs/dbraw/zinc/07/80/75/171078075.db2.gz VXBPQPZINCBINS-SNAWJCMRSA-N 0 0 109.172 2.256 10 30 AEEERN C=C[C@@](C)(C=O)OCc1ccccc1 39318607 171078167 /nfs/dbraw/zinc/07/81/67/171078167.db2.gz MEVMAPFXXPBTNY-LBPRGKRZSA-N 0 0 190.242 2.347 10 30 AEEERN C=C[C@](C)(C=O)OCc1ccccc1 39318606 171078246 /nfs/dbraw/zinc/07/82/46/171078246.db2.gz MEVMAPFXXPBTNY-GFCCVEGCSA-N 0 0 190.242 2.347 10 30 AEEERN N#CCCCc1ccc2c(c1)OCO2 39258105 171078418 /nfs/dbraw/zinc/07/84/18/171078418.db2.gz HQMASZHDISJLRD-UHFFFAOYSA-N 0 0 189.214 2.262 10 30 AEEERN CCCCc1ccc(C#N)cn1 39291635 171078427 /nfs/dbraw/zinc/07/84/27/171078427.db2.gz SONHPLQXFCPQNJ-UHFFFAOYSA-N 0 0 160.220 2.296 10 30 AEEERN N#Cc1ccc2ccsc2n1 39318168 171078438 /nfs/dbraw/zinc/07/84/38/171078438.db2.gz KTSOZLHVFLYDNN-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN N#CCCC1CCCC1 39411189 171078864 /nfs/dbraw/zinc/07/88/64/171078864.db2.gz PPUBMRYNGIUSBF-UHFFFAOYSA-N 0 0 123.199 2.480 10 30 AEEERN N#Cc1nccc2ccsc12 39593721 171079451 /nfs/dbraw/zinc/07/94/51/171079451.db2.gz RCXWTQQOTYMUJC-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN C=CCCC(=O)c1cccn1C 39081836 171080297 /nfs/dbraw/zinc/08/02/97/171080297.db2.gz KFXGRXPCDIOJAJ-UHFFFAOYSA-N 0 0 163.220 2.174 10 30 AEEERN N#CCCNc1cccc(F)c1F 40230744 171080757 /nfs/dbraw/zinc/08/07/57/171080757.db2.gz JWSMOCDKHUZURX-UHFFFAOYSA-N 0 0 182.173 2.290 10 30 AEEERN N#CCCOc1ccsc1 39089180 171081957 /nfs/dbraw/zinc/08/19/57/171081957.db2.gz QOUUCIUMBZLZCG-UHFFFAOYSA-N 0 0 153.206 2.041 10 30 AEEERN N#C[C@H](Nc1ccccc1)C1CC1 41047339 171082416 /nfs/dbraw/zinc/08/24/16/171082416.db2.gz YLHXSWBRCQQCKX-NSHDSACASA-N 0 0 172.231 2.401 10 30 AEEERN N#C[C@@H](Nc1ccccc1)C1CC1 41047340 171082429 /nfs/dbraw/zinc/08/24/29/171082429.db2.gz YLHXSWBRCQQCKX-LLVKDONJSA-N 0 0 172.231 2.401 10 30 AEEERN N#C[C@@H](NCc1ccccc1)C1CC1 41047374 171082544 /nfs/dbraw/zinc/08/25/44/171082544.db2.gz JNLJXSWLPIGURL-GFCCVEGCSA-N 0 0 186.258 2.078 10 30 AEEERN N#C[C@H](NCc1ccccc1)C1CC1 41047373 171082589 /nfs/dbraw/zinc/08/25/89/171082589.db2.gz JNLJXSWLPIGURL-LBPRGKRZSA-N 0 0 186.258 2.078 10 30 AEEERN Cc1ccccc1[C@@H](O)CCC#N 41199120 171083195 /nfs/dbraw/zinc/08/31/95/171083195.db2.gz JSYLDXMOXYCGST-NSHDSACASA-N 0 0 175.231 2.332 10 30 AEEERN Cc1ccccc1CC(=O)CC#N 41198638 171083314 /nfs/dbraw/zinc/08/33/14/171083314.db2.gz ADBIDWOKFXXXAP-UHFFFAOYSA-N 0 0 173.215 2.020 10 30 AEEERN Cc1ccccc1CC[C@](C)(N)C#N 41204282 171083407 /nfs/dbraw/zinc/08/34/07/171083407.db2.gz LFIKBYUHURAYHZ-LBPRGKRZSA-N 0 0 188.274 2.169 10 30 AEEERN Cc1ccccc1CC[C@@](C)(N)C#N 41204284 171083423 /nfs/dbraw/zinc/08/34/23/171083423.db2.gz LFIKBYUHURAYHZ-GFCCVEGCSA-N 0 0 188.274 2.169 10 30 AEEERN Cc1ccccc1[C@H](O)CCC#N 41199117 171083450 /nfs/dbraw/zinc/08/34/50/171083450.db2.gz JSYLDXMOXYCGST-LLVKDONJSA-N 0 0 175.231 2.332 10 30 AEEERN COc1ccccc1[C@@H](C#N)CC#N 41203452 171083457 /nfs/dbraw/zinc/08/34/57/171083457.db2.gz CBFSPHAEJBETSZ-SECBINFHSA-N 0 0 186.214 2.216 10 30 AEEERN SCCOc1ccc2c(c1)CCC2 41206870 171083812 /nfs/dbraw/zinc/08/38/12/171083812.db2.gz AKBUJFTZFODXIH-UHFFFAOYSA-N 0 0 194.299 2.484 10 30 AEEERN N#CC1(c2c[nH]cn2)CCCCC1 39111403 171084033 /nfs/dbraw/zinc/08/40/33/171084033.db2.gz BTIRFCLWBVOOOF-UHFFFAOYSA-N 0 0 175.235 2.135 10 30 AEEERN CC1(C)O[C@@H]1COCc1ccccc1 39240260 171084550 /nfs/dbraw/zinc/08/45/50/171084550.db2.gz JSZCFIWOSRJHDR-LLVKDONJSA-N 0 0 192.258 2.381 10 30 AEEERN N#Cc1snnc1-c1ccccc1 39245833 171084590 /nfs/dbraw/zinc/08/45/90/171084590.db2.gz DWVGOUYJXHXHPZ-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN CC1(C)O[C@H]1COCc1ccccc1 39240259 171084613 /nfs/dbraw/zinc/08/46/13/171084613.db2.gz JSZCFIWOSRJHDR-NSHDSACASA-N 0 0 192.258 2.381 10 30 AEEERN SCCc1cccs1 39218338 171084815 /nfs/dbraw/zinc/08/48/15/171084815.db2.gz FWFSLHQZHAYETB-UHFFFAOYSA-N 0 0 144.264 2.220 10 30 AEEERN C=C[C@@H]1O[C@]12CCC[C@H]2C 39131872 171084995 /nfs/dbraw/zinc/08/49/95/171084995.db2.gz BRKUTCLODQZRKE-VGMNWLOBSA-N 0 0 138.210 2.130 10 30 AEEERN C=C[C@@H]1O[C@]12CCC[C@@H]2C 39131873 171085266 /nfs/dbraw/zinc/08/52/66/171085266.db2.gz BRKUTCLODQZRKE-CIUDSAMLSA-N 0 0 138.210 2.130 10 30 AEEERN Cc1ccc(C#N)c2cc[nH]c12 42689626 171086274 /nfs/dbraw/zinc/08/62/74/171086274.db2.gz HUVBXVXTGRSNLW-UHFFFAOYSA-N 0 0 156.188 2.348 10 30 in-vitro AEEERN Cc1ccc(C#N)c(OC(C)C)n1 43400091 171087078 /nfs/dbraw/zinc/08/70/78/171087078.db2.gz UKZURBTZCDXTCD-UHFFFAOYSA-N 0 0 176.219 2.049 10 30 AEEERN Cc1ccc(C#N)c(OCC(C)C)n1 43400048 171087102 /nfs/dbraw/zinc/08/71/02/171087102.db2.gz WDUHNRLAYULJNY-UHFFFAOYSA-N 0 0 190.246 2.297 10 30 AEEERN N#Cc1ncc(Cl)c2[nH]ccc12 43220698 171087324 /nfs/dbraw/zinc/08/73/24/171087324.db2.gz PHKAKWAUMDGXQD-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN Cc1ccc(C#N)c(OCC2CC2)n1 43400345 171087330 /nfs/dbraw/zinc/08/73/30/171087330.db2.gz HIDDTUBQPLBCBU-UHFFFAOYSA-N 0 0 188.230 2.051 10 30 AEEERN Cc1ccc(C#N)c(NC(C)C)n1 43395384 171087401 /nfs/dbraw/zinc/08/74/01/171087401.db2.gz HLUOOFOAKGLFTM-UHFFFAOYSA-N 0 0 175.235 2.082 10 30 AEEERN Cc1ccc(C#N)c(NC(C)(C)C)n1 43398860 171087450 /nfs/dbraw/zinc/08/74/50/171087450.db2.gz SVMDHDNLUZFNED-UHFFFAOYSA-N 0 0 189.262 2.472 10 30 AEEERN Cc1ccc(C#N)c(OC(C)(C)C)n1 43400400 171087462 /nfs/dbraw/zinc/08/74/62/171087462.db2.gz WXYOPVWQYZNJSC-UHFFFAOYSA-N 0 0 190.246 2.439 10 30 AEEERN Cc1ccc(C#N)c(N(C)C(C)C)n1 43399022 171087518 /nfs/dbraw/zinc/08/75/18/171087518.db2.gz RCQWKGMREHDRSE-UHFFFAOYSA-N 0 0 189.262 2.106 10 30 AEEERN N#Cc1cccc(-c2cccnc2N)c1 82730379 171087575 /nfs/dbraw/zinc/08/75/75/171087575.db2.gz ITYAFCFFNCDWSU-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C#Cc1cccc(N[C@@H](C#N)CC)c1 43539059 171087916 /nfs/dbraw/zinc/08/79/16/171087916.db2.gz QGZGHUKPXUGZSR-LLVKDONJSA-N 0 0 184.242 2.382 10 30 AEEERN COc1ccccc1CCC#N 43457988 171087929 /nfs/dbraw/zinc/08/79/29/171087929.db2.gz NSDFFKLRIYOAFO-UHFFFAOYSA-N 0 0 161.204 2.151 10 30 AEEERN COc1ccc(N[C@H](C)C#N)cc1F 43514838 171088069 /nfs/dbraw/zinc/08/80/69/171088069.db2.gz NMKUDWYZCRITOF-SSDOTTSWSA-N 0 0 194.209 2.158 10 30 AEEERN COc1ccc(N[C@@H](C)C#N)cc1C 43515514 171088123 /nfs/dbraw/zinc/08/81/23/171088123.db2.gz HFMJRRFQYLBVQW-VIFPVBQESA-N 0 0 190.246 2.328 10 30 AEEERN C#Cc1cccc(N[C@H](C#N)CC)c1 43539058 171088246 /nfs/dbraw/zinc/08/82/46/171088246.db2.gz QGZGHUKPXUGZSR-NSHDSACASA-N 0 0 184.242 2.382 10 30 AEEERN COc1ccc(N[C@@H](C)C#N)cc1F 43514837 171088276 /nfs/dbraw/zinc/08/82/76/171088276.db2.gz NMKUDWYZCRITOF-ZETCQYMHSA-N 0 0 194.209 2.158 10 30 AEEERN COc1ccc(N[C@H](C)C#N)cc1C 43515515 171088283 /nfs/dbraw/zinc/08/82/83/171088283.db2.gz HFMJRRFQYLBVQW-SECBINFHSA-N 0 0 190.246 2.328 10 30 AEEERN N#Cc1ccccc1[C@@H]1CCCC[NH2+]1 44135449 171088599 /nfs/dbraw/zinc/08/85/99/171088599.db2.gz BXNVDVJIQDCBRN-LBPRGKRZSA-N 0 0 186.258 2.373 10 30 AEEERN CC(C)(C)C#C/C=C/CC=O 43875611 171089087 /nfs/dbraw/zinc/08/90/87/171089087.db2.gz ZAOIULPTEPERQU-SNAWJCMRSA-N 0 0 150.221 2.181 10 30 AEEERN N#Cc1ccccc1[C@H]1CCCC[NH2+]1 44135451 171089215 /nfs/dbraw/zinc/08/92/15/171089215.db2.gz BXNVDVJIQDCBRN-GFCCVEGCSA-N 0 0 186.258 2.373 10 30 AEEERN C=Cc1ccccc1CC#N 44368092 171089489 /nfs/dbraw/zinc/08/94/89/171089489.db2.gz XCBBWFMRBMYBNH-UHFFFAOYSA-N 0 0 143.189 2.396 10 30 AEEERN N#CC(C#N)CC1CCCC1 44250340 171089777 /nfs/dbraw/zinc/08/97/77/171089777.db2.gz RHBBOMQAMCMZQX-UHFFFAOYSA-N 0 0 148.209 2.230 10 30 AEEERN N#Cc1sc(-c2ccoc2)cc1N 44273358 171089925 /nfs/dbraw/zinc/08/99/25/171089925.db2.gz BNCXJKKHNGLRNJ-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN N#Cc1sc(-c2ccco2)cc1N 44273274 171089933 /nfs/dbraw/zinc/08/99/33/171089933.db2.gz RLCAKYBNLCFHCU-UHFFFAOYSA-N 0 0 190.227 2.462 10 30 AEEERN N#C[C@@H](C=O)c1ccccc1Cl 44268156 171089987 /nfs/dbraw/zinc/08/99/87/171089987.db2.gz OQJQMYYULSCEEE-ZETCQYMHSA-N 0 0 179.606 2.146 10 30 AEEERN N#CCCCc1nc2ccccc2[nH]1 44550803 171090465 /nfs/dbraw/zinc/09/04/65/171090465.db2.gz VZTNSUAONZCXPE-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN Cc1ccc2[nH]c(CCC#N)nc2c1 44550805 171090557 /nfs/dbraw/zinc/09/05/57/171090557.db2.gz ATISVIQISOUWIQ-UHFFFAOYSA-N 0 0 185.230 2.328 10 30 AEEERN C/C=C\CCCCC=O 44709727 171091613 /nfs/dbraw/zinc/09/16/13/171091613.db2.gz KVNBGNGISDIZRP-IHWYPQMZSA-N 0 0 126.199 2.322 10 30 endogenous,in-man AEEERN N#Cc1cccc(-c2ccncc2)n1 47212679 171093329 /nfs/dbraw/zinc/09/33/29/171093329.db2.gz FKODHHQOTIWHII-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN S[C@H]1CC2CC1[C@@H](S)C2 45809853 171093443 /nfs/dbraw/zinc/09/34/43/171093443.db2.gz FFQIEEZJIHXEIC-FTDRKVFOSA-N 0 0 160.307 2.013 10 30 AEEERN N#Cc1ncccc1-c1cccnc1 47212681 171093497 /nfs/dbraw/zinc/09/34/97/171093497.db2.gz CYXFQRAIENMLSL-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1ncccc1-c1ccncc1 47212682 171093498 /nfs/dbraw/zinc/09/34/98/171093498.db2.gz JUIVEMYWLIVXIZ-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1cccc(-c2ccncc2)c1N 47216302 171094091 /nfs/dbraw/zinc/09/40/91/171094091.db2.gz KSFANTKFWCAWJM-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN COc1ccc(NCCC#N)cc1C 49530172 171094481 /nfs/dbraw/zinc/09/44/81/171094481.db2.gz SSWIXFGCROSQPU-UHFFFAOYSA-N 0 0 190.246 2.329 10 30 AEEERN N#CCCOCc1cccs1 49585399 171094551 /nfs/dbraw/zinc/09/45/51/171094551.db2.gz KWQZPQVVCHEEQQ-UHFFFAOYSA-N 0 0 167.233 2.178 10 30 AEEERN N#C[C@@H](CCO)c1ccccc1Cl 49811564 171094943 /nfs/dbraw/zinc/09/49/43/171094943.db2.gz QJUXVBKYTUTPFM-MRVPVSSYSA-N 0 0 195.649 2.330 10 30 AEEERN N#C[C@@H](CCO)c1ccc(Cl)cc1 49811568 171094963 /nfs/dbraw/zinc/09/49/63/171094963.db2.gz AYCVLZBVIUZASI-SECBINFHSA-N 0 0 195.649 2.330 10 30 AEEERN Cc1ccccc1NC(=O)CCC#N 49806248 171094991 /nfs/dbraw/zinc/09/49/91/171094991.db2.gz DMWWNMFRLRQPAT-UHFFFAOYSA-N 0 0 188.230 2.237 10 30 AEEERN N#C[C@@H](CCO)c1cccc(Cl)c1 49811566 171095029 /nfs/dbraw/zinc/09/50/29/171095029.db2.gz DYZWIJNWOIBGRX-SECBINFHSA-N 0 0 195.649 2.330 10 30 AEEERN N#CCCC(=O)NC1CCCCCC1 49811375 171095042 /nfs/dbraw/zinc/09/50/42/171095042.db2.gz QYGVSOFOCVCMIM-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN Cc1ccccc1N(C)CCC#N 49805175 171095051 /nfs/dbraw/zinc/09/50/51/171095051.db2.gz SYVZOXGMELHQFP-UHFFFAOYSA-N 0 0 174.247 2.345 10 30 AEEERN N#CCCC(=O)Nc1ccc(F)cc1 49806807 171095087 /nfs/dbraw/zinc/09/50/87/171095087.db2.gz KNRMRFPUNHYSKO-UHFFFAOYSA-N 0 0 192.193 2.068 10 30 AEEERN Cc1ccccc1CC(C#N)C#N 49804989 171095093 /nfs/dbraw/zinc/09/50/93/171095093.db2.gz SBEXILJUQHIOLT-UHFFFAOYSA-N 0 0 170.215 2.201 10 30 AEEERN N#CCCC(=O)OCc1ccccc1 49806358 171095166 /nfs/dbraw/zinc/09/51/66/171095166.db2.gz IZGYLKWUGOOIEF-UHFFFAOYSA-N 0 0 189.214 2.034 10 30 AEEERN N#CCCC(=O)Nc1ccccc1F 49806806 171095173 /nfs/dbraw/zinc/09/51/73/171095173.db2.gz YBFVGRCXQNDVGM-UHFFFAOYSA-N 0 0 192.193 2.068 10 30 AEEERN N#CCCC(=O)Nc1cccc(F)c1 49806808 171095308 /nfs/dbraw/zinc/09/53/08/171095308.db2.gz IJHOQWZTSIHIRN-UHFFFAOYSA-N 0 0 192.193 2.068 10 30 AEEERN C#Cc1ccccc1-c1cnco1 299889310 171095598 /nfs/dbraw/zinc/09/55/98/171095598.db2.gz HJWAFQNCPAIWHM-UHFFFAOYSA-N 0 0 169.183 2.323 10 30 AEEERN N#Cc1ccc(OC2CCC2)c(N)c1 50519050 171096512 /nfs/dbraw/zinc/09/65/12/171096512.db2.gz OZUVEBQMQVGQMD-UHFFFAOYSA-N 0 0 188.230 2.072 10 30 AEEERN Cc1ccc(C#N)cc1N[C@@H](C)C#N 50430178 171096540 /nfs/dbraw/zinc/09/65/40/171096540.db2.gz DGEZPPSUMXYNGU-VIFPVBQESA-N 0 0 185.230 2.191 10 30 AEEERN Cc1ccc(C#N)cc1N[C@H](C)C#N 50430179 171096727 /nfs/dbraw/zinc/09/67/27/171096727.db2.gz DGEZPPSUMXYNGU-SECBINFHSA-N 0 0 185.230 2.191 10 30 AEEERN N#CCCCn1ncc2ccccc21 50525756 171096739 /nfs/dbraw/zinc/09/67/39/171096739.db2.gz AOOHRYYEFTVUIU-UHFFFAOYSA-N 0 0 185.230 2.340 10 30 AEEERN Cc1ccc(C#N)cc1NCCC#N 50430368 171097009 /nfs/dbraw/zinc/09/70/09/171097009.db2.gz BDYLZCRKKRNFSG-UHFFFAOYSA-N 0 0 185.230 2.192 10 30 AEEERN N#CCCNc1ccc(F)c(C#N)c1 51636778 171097232 /nfs/dbraw/zinc/09/72/32/171097232.db2.gz SUMZWPAEXMAKBJ-UHFFFAOYSA-N 0 0 189.193 2.023 10 30 AEEERN Cc1ccc(C#N)c(-n2cccn2)c1 51598272 171097292 /nfs/dbraw/zinc/09/72/92/171097292.db2.gz TZWPSMWOOGVYMJ-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN Cc1ccc(C#N)c(-n2ccnc2)c1 51598275 171097294 /nfs/dbraw/zinc/09/72/94/171097294.db2.gz SCZAJLUSXQTIHE-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN Cc1ccc(C#N)c(N(C)C2CC2)c1 51597573 171097301 /nfs/dbraw/zinc/09/73/01/171097301.db2.gz ICQWFVMGDWTUER-UHFFFAOYSA-N 0 0 186.258 2.465 10 30 AEEERN Cc1ccc(C#N)c(NC2CC2)c1 51578629 171097304 /nfs/dbraw/zinc/09/73/04/171097304.db2.gz ZOVKMWQVJMOUHN-UHFFFAOYSA-N 0 0 172.231 2.441 10 30 AEEERN Cc1ccc(C#N)c(-n2cc(C)cn2)c1 51598287 171097327 /nfs/dbraw/zinc/09/73/27/171097327.db2.gz YNVCNGPGEMZSCS-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CC#CCNc1ccc(CC#N)cc1 51663783 171097345 /nfs/dbraw/zinc/09/73/45/171097345.db2.gz FRCSQOBLXJQLHB-UHFFFAOYSA-N 0 0 184.242 2.188 10 30 AEEERN Cc1ccc(C#N)c(-n2ccc(C)n2)c1 52884187 171098403 /nfs/dbraw/zinc/09/84/03/171098403.db2.gz JFDZTLAZSSGORP-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN N#C[C@H](N)c1csc2ccccc12 54464650 171099230 /nfs/dbraw/zinc/09/92/30/171099230.db2.gz NLYWDPFYOGSDLY-VIFPVBQESA-N 0 0 188.255 2.425 10 30 AEEERN N#C[C@@H](N)c1csc2ccccc12 54464647 171099698 /nfs/dbraw/zinc/09/96/98/171099698.db2.gz NLYWDPFYOGSDLY-SECBINFHSA-N 0 0 188.255 2.425 10 30 AEEERN SCCCc1ccc2c(c1)OCO2 57490001 171100289 /nfs/dbraw/zinc/10/02/89/171100289.db2.gz BZOJLFJTAUQGKX-UHFFFAOYSA-N 0 0 196.271 2.278 10 30 AEEERN SCCCc1ccco1 58517535 171100941 /nfs/dbraw/zinc/10/09/41/171100941.db2.gz HGCXZCVLXNZRNV-UHFFFAOYSA-N 0 0 142.223 2.142 10 30 AEEERN N#C[C@@H]1CC(=O)c2cc(F)ccc21 58518677 171101031 /nfs/dbraw/zinc/10/10/31/171101031.db2.gz HEZYJDIZBCEEAR-LURJTMIESA-N 0 0 175.162 2.019 10 30 AEEERN N#C[C@@H]1CC(=O)c2cccc(F)c21 58518680 171101095 /nfs/dbraw/zinc/10/10/95/171101095.db2.gz AGZUVJNDQUHZPX-LURJTMIESA-N 0 0 175.162 2.019 10 30 AEEERN Cc1ccccc1C[C@](C)(C#N)CO 58520913 171101482 /nfs/dbraw/zinc/10/14/82/171101482.db2.gz FUCIIYFKABTNAZ-GFCCVEGCSA-N 0 0 189.258 2.060 10 30 AEEERN CC(=O)/C=C/C=C\Br 59145436 171101497 /nfs/dbraw/zinc/10/14/97/171101497.db2.gz AFWNEMSTTOCVJE-HZDAAVBUSA-N 0 0 175.025 2.040 10 30 AEEERN N#Cc1nc2cc(Cl)ccc2[nH]1 59564399 171101583 /nfs/dbraw/zinc/10/15/83/171101583.db2.gz PDSTXCBQIRKERL-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN Cc1ccccc1[C@@](C)(C#N)N(C)C 58520728 171101645 /nfs/dbraw/zinc/10/16/45/171101645.db2.gz KYTHCWVJKBJGBV-GFCCVEGCSA-N 0 0 188.274 2.295 10 30 AEEERN Cc1ccccc1C[C@@](C)(C#N)CO 58520914 171101882 /nfs/dbraw/zinc/10/18/82/171101882.db2.gz FUCIIYFKABTNAZ-LBPRGKRZSA-N 0 0 189.258 2.060 10 30 AEEERN N#Cc1cccc(-c2ccc(O)cn2)c1 65355616 171104526 /nfs/dbraw/zinc/10/45/26/171104526.db2.gz CJMFWCMMGJZCEJ-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN N#Cc1ccc2[nH]cc(CCC=O)c2c1 90669613 171105461 /nfs/dbraw/zinc/10/54/61/171105461.db2.gz HXWVLRDWEFAVAH-UHFFFAOYSA-N 0 0 198.225 2.171 10 30 AEEERN N#Cc1cccc(-c2ccc(O)cc2)n1 90567867 171105551 /nfs/dbraw/zinc/10/55/51/171105551.db2.gz OYEHAECROMFXPO-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C/C=C\[C@@H]1CC(=O)C2=C1CCCO2 90628856 171105575 /nfs/dbraw/zinc/10/55/75/171105575.db2.gz SEEKJHDGWQCHHH-DLRBJTRDSA-N 0 0 178.231 2.216 10 30 AEEERN C=CCCC(=O)c1cc(OC)c[nH]1 90516298 171105663 /nfs/dbraw/zinc/10/56/63/171105663.db2.gz MVKNCRGQMDAZDF-UHFFFAOYSA-N 0 0 179.219 2.172 10 30 AEEERN C=CCCC(=O)c1cc(N(C)C)c[nH]1 90735568 171106148 /nfs/dbraw/zinc/10/61/48/171106148.db2.gz DDGKTIHTQKAOLU-UHFFFAOYSA-N 0 0 192.262 2.230 10 30 AEEERN COc1ccc(OC(C)C)cc1C#N 71455310 171107146 /nfs/dbraw/zinc/10/71/46/171107146.db2.gz LZVXVIVFZJPNRH-UHFFFAOYSA-N 0 0 191.230 2.354 10 30 AEEERN SCCCCc1cc[nH]c1 71495580 171107474 /nfs/dbraw/zinc/10/74/74/171107474.db2.gz AHVJKDYLBIAWOQ-UHFFFAOYSA-N 0 0 155.266 2.267 10 30 AEEERN SCCCCc1cccnc1 71496229 171107740 /nfs/dbraw/zinc/10/77/40/171107740.db2.gz RFUYGAXLWXMGKJ-UHFFFAOYSA-N 0 0 167.277 2.334 10 30 AEEERN SCCCCc1ccccn1 71496228 171107756 /nfs/dbraw/zinc/10/77/56/171107756.db2.gz WRZGJZJATGTQGT-UHFFFAOYSA-N 0 0 167.277 2.334 10 30 AEEERN SCCCCc1ccncc1 71496231 171107923 /nfs/dbraw/zinc/10/79/23/171107923.db2.gz BMARMLXRKNZIAU-UHFFFAOYSA-N 0 0 167.277 2.334 10 30 AEEERN Fc1ccc(CCS)c(F)c1 71496810 171108024 /nfs/dbraw/zinc/10/80/24/171108024.db2.gz YMAXRLCLFMRXNJ-UHFFFAOYSA-N 0 0 174.215 2.437 10 30 AEEERN [N-]=[N+]=Nc1nnc(-c2ccco2)o1 75484435 171111527 /nfs/dbraw/zinc/11/15/27/171111527.db2.gz IXUOEBDULOOPHE-UHFFFAOYSA-N 0 0 177.123 2.271 10 30 AEEERN [N-]=[N+]=Nc1nnc(-c2cccnc2)o1 75484501 171111586 /nfs/dbraw/zinc/11/15/86/171111586.db2.gz ZXTXNPQPIISEAF-UHFFFAOYSA-N 0 0 188.150 2.073 10 30 AEEERN C/C=C/CCCC#N 75517776 171111624 /nfs/dbraw/zinc/11/16/24/171111624.db2.gz NBIILQIAMXPTRP-NSCUHMNNSA-N 0 0 109.172 2.256 10 30 AEEERN Cc1ccccc1[C@@H]1C[C@@H]1C=O 75422226 171111644 /nfs/dbraw/zinc/11/16/44/171111644.db2.gz GYGHQWPSFZREAR-MWLCHTKSSA-N 0 0 160.216 2.297 10 30 AEEERN [N-]=[N+]=Nc1nnc(-c2ccncc2)o1 75484502 171111675 /nfs/dbraw/zinc/11/16/75/171111675.db2.gz UBDAGUQBOJJPAS-UHFFFAOYSA-N 0 0 188.150 2.073 10 30 AEEERN Cc1ccccc1[C@@H]1C[C@H]1C=O 75422228 171111683 /nfs/dbraw/zinc/11/16/83/171111683.db2.gz GYGHQWPSFZREAR-GXSJLCMTSA-N 0 0 160.216 2.297 10 30 AEEERN CC/C=C/[C@@H](C)C#N 75517829 171112157 /nfs/dbraw/zinc/11/21/57/171112157.db2.gz BPRRVWSZQDGBBK-SMMXGFFBSA-N 0 0 109.172 2.112 10 30 AEEERN CC/C=C/[C@H](C)C#N 75517837 171112164 /nfs/dbraw/zinc/11/21/64/171112164.db2.gz BPRRVWSZQDGBBK-KPJROHGDSA-N 0 0 109.172 2.112 10 30 AEEERN N#CC12C=CC(CC1)CC2 75524590 171112309 /nfs/dbraw/zinc/11/23/09/171112309.db2.gz ZZLXJBHLVZSIEJ-UHFFFAOYSA-N 0 0 133.194 2.256 10 30 AEEERN N#CCCC[C@H]1CCC(=O)C1 75539221 171112325 /nfs/dbraw/zinc/11/23/25/171112325.db2.gz YSGSDMWVJJLOKL-QMMMGPOBSA-N 0 0 151.209 2.049 10 30 AEEERN C=CC(=C)CCCC=O 75521103 171112341 /nfs/dbraw/zinc/11/23/41/171112341.db2.gz SCONTGDYQFSTAO-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN CC/C=C/[C@H]1C=CC[C@@H]1C=O 75538862 171112377 /nfs/dbraw/zinc/11/23/77/171112377.db2.gz WEIJUURXTQHKGQ-AETUYUCGSA-N 0 0 150.221 2.344 10 30 AEEERN CC/C=C/[C@@H]1C=CC[C@H]1C=O 75538864 171112415 /nfs/dbraw/zinc/11/24/15/171112415.db2.gz WEIJUURXTQHKGQ-AEJJFCSLSA-N 0 0 150.221 2.344 10 30 AEEERN Cc1ccccc1[C@H](C)C=O 75538197 171112437 /nfs/dbraw/zinc/11/24/37/171112437.db2.gz DWSXBFKYFXHHIL-SECBINFHSA-N 0 0 148.205 2.297 10 30 AEEERN C=C(C)[C@@H](C)CCC=O 75522319 171112463 /nfs/dbraw/zinc/11/24/63/171112463.db2.gz PWVIWIMUUUVMJV-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN Cc1ccccc1[C@@H](C)C=O 75538196 171112507 /nfs/dbraw/zinc/11/25/07/171112507.db2.gz DWSXBFKYFXHHIL-VIFPVBQESA-N 0 0 148.205 2.297 10 30 AEEERN C=C[C@](C)(CC)CC=O 75522230 171112535 /nfs/dbraw/zinc/11/25/35/171112535.db2.gz PUUITXJTTSISQE-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN CC/C=C/[C@H]1C=CC[C@H]1C=O 75538865 171112563 /nfs/dbraw/zinc/11/25/63/171112563.db2.gz WEIJUURXTQHKGQ-GMRPRLDHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@](C)(CC)CC=O 75522224 171112581 /nfs/dbraw/zinc/11/25/81/171112581.db2.gz PUUITXJTTSISQE-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN C=C[C@@H](C(=C)C)[C@H](C)C=O 75526507 171112589 /nfs/dbraw/zinc/11/25/89/171112589.db2.gz RQSPTETXGGCZCC-BDAKNGLRSA-N 0 0 138.210 2.200 10 30 AEEERN N#CCCC[C@@H]1CCC(=O)C1 75539220 171112602 /nfs/dbraw/zinc/11/26/02/171112602.db2.gz YSGSDMWVJJLOKL-MRVPVSSYSA-N 0 0 151.209 2.049 10 30 AEEERN CC/C=C/[C@@H]1C=CC[C@@H]1C=O 75538858 171112666 /nfs/dbraw/zinc/11/26/66/171112666.db2.gz WEIJUURXTQHKGQ-OTIHIVFHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H](C(=C)C)[C@@H](C)C=O 75526503 171112737 /nfs/dbraw/zinc/11/27/37/171112737.db2.gz RQSPTETXGGCZCC-IUCAKERBSA-N 0 0 138.210 2.200 10 30 AEEERN CC1(C)[C@H](C#N)CC[C@]1(C)C=O 75546902 171112933 /nfs/dbraw/zinc/11/29/33/171112933.db2.gz GNGDLNMVJARTRQ-WCBMZHEXSA-N 0 0 165.236 2.151 10 30 AEEERN N#CCCC[C@H]1CCCCC1=O 75546861 171112996 /nfs/dbraw/zinc/11/29/96/171112996.db2.gz FSTBXMCHVPGFRB-SECBINFHSA-N 0 0 165.236 2.440 10 30 AEEERN C[C@@H]1CC=C(CCC#N)C(=O)C1 75545801 171113015 /nfs/dbraw/zinc/11/30/15/171113015.db2.gz KVLBNZMFXWIUHL-MRVPVSSYSA-N 0 0 163.220 2.216 10 30 AEEERN N#CC1(Br)CCCC1 75564052 171113041 /nfs/dbraw/zinc/11/30/41/171113041.db2.gz ZQUQEJATTVGAKB-UHFFFAOYSA-N 0 0 174.041 2.218 10 30 AEEERN N#CCCCC1CCC(O)CC1 75555488 171113054 /nfs/dbraw/zinc/11/30/54/171113054.db2.gz DUXSNLWFUHVFFP-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN C=C[C@@](C)(C=O)c1ccccc1 75544644 171113058 /nfs/dbraw/zinc/11/30/58/171113058.db2.gz CGTXALIYUPMUSM-NSHDSACASA-N 0 0 160.216 2.329 10 30 AEEERN N#CCCC[C@@H]1CCCCC1=O 75546859 171113066 /nfs/dbraw/zinc/11/30/66/171113066.db2.gz FSTBXMCHVPGFRB-VIFPVBQESA-N 0 0 165.236 2.440 10 30 AEEERN COc1ccc2[nH]ccc2c1C#N 75562239 171113079 /nfs/dbraw/zinc/11/30/79/171113079.db2.gz OJFNELFPUBZSFO-UHFFFAOYSA-N 0 0 172.187 2.048 10 30 AEEERN CC1(C)[C@H](C#N)CC[C@@]1(C)C=O 75546898 171113132 /nfs/dbraw/zinc/11/31/32/171113132.db2.gz GNGDLNMVJARTRQ-WPRPVWTQSA-N 0 0 165.236 2.151 10 30 AEEERN N#Cc1c(N)ccc2c1CCCC2 75562819 171113160 /nfs/dbraw/zinc/11/31/60/171113160.db2.gz JGKIPAMYVUTGMZ-UHFFFAOYSA-N 0 0 172.231 2.019 10 30 AEEERN C=C[C@](C)(C=O)c1ccccc1 75544642 171113177 /nfs/dbraw/zinc/11/31/77/171113177.db2.gz CGTXALIYUPMUSM-LLVKDONJSA-N 0 0 160.216 2.329 10 30 AEEERN N#Cc1c(N)ccc2c1CCC=C2 75559724 171113228 /nfs/dbraw/zinc/11/32/28/171113228.db2.gz WJLPQOQIOMJZOH-UHFFFAOYSA-N 0 0 170.215 2.100 10 30 AEEERN N#CCCCC1=CC(=O)CCC1 75545793 171113275 /nfs/dbraw/zinc/11/32/75/171113275.db2.gz VYAKBNQVLRAHLN-UHFFFAOYSA-N 0 0 163.220 2.360 10 30 AEEERN CC(C)(C)SC(C)(C)C=O 75544749 171113289 /nfs/dbraw/zinc/11/32/89/171113289.db2.gz XUFXBXGHMVKMMP-UHFFFAOYSA-N 0 0 160.282 2.496 10 30 AEEERN CC(=O)C=CNc1ccccc1C#N 75577152 171113889 /nfs/dbraw/zinc/11/38/89/171113889.db2.gz RWHKVNDMLHOTNN-VOTSOKGWSA-N 0 0 186.214 2.073 10 30 AEEERN C/C=C/C(=O)c1cc(OC)ccc1O 75580559 171114530 /nfs/dbraw/zinc/11/45/30/171114530.db2.gz GRWWPCYNWRJBMT-ONEGZZNKSA-N 0 0 192.214 2.160 10 30 AEEERN CC(=O)/C=C/c1c(C)[nH]c(C)c1C=O 75580154 171114558 /nfs/dbraw/zinc/11/45/58/171114558.db2.gz RLINIHYYALDWEW-SNAWJCMRSA-N 0 0 191.230 2.046 10 30 AEEERN CC(=O)C[C@@]1(C=O)CC2CCC1CC2 75596939 171114653 /nfs/dbraw/zinc/11/46/53/171114653.db2.gz KZNZNLJNKLXSOO-MCIGGMRASA-N 0 0 194.274 2.361 10 30 AEEERN N#Cc1nc(-c2ccncc2)cs1 75847106 171115098 /nfs/dbraw/zinc/11/50/98/171115098.db2.gz SAFIMEWICLIHSG-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1ncc(-c2ccncc2)s1 75847104 171115099 /nfs/dbraw/zinc/11/50/99/171115099.db2.gz SIUUQLGUTNDASQ-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1ccc2nc(C#N)sc2c1 75847101 171115203 /nfs/dbraw/zinc/11/52/03/171115203.db2.gz LRZOTANKFSMPSL-UHFFFAOYSA-N 0 0 185.211 2.040 10 30 AEEERN N#Cc1ncc(-c2cccc(F)c2)o1 75847294 171115301 /nfs/dbraw/zinc/11/53/01/171115301.db2.gz IPRDFIJHOYMDGW-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1nc(-c2ccccn2)cs1 75847107 171115324 /nfs/dbraw/zinc/11/53/24/171115324.db2.gz UYXRKVKVQNHXPZ-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#CCC(=O)c1ccc(F)c(F)c1F 75903697 171115887 /nfs/dbraw/zinc/11/58/87/171115887.db2.gz YGFMJEXNEJIWQX-UHFFFAOYSA-N 0 0 199.131 2.200 10 30 AEEERN O=C1C=C(c2ccccn2)CCC1 75864691 171116016 /nfs/dbraw/zinc/11/60/16/171116016.db2.gz PNFNUVJTWDINAG-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN O=C1C=C(c2cccnc2F)CCC1 75864849 171116074 /nfs/dbraw/zinc/11/60/74/171116074.db2.gz BVMLCSZXSIDYGI-UHFFFAOYSA-N 0 0 191.205 2.357 10 30 AEEERN N#CC1(c2ccc(N)cc2F)CCC1 75933904 171116423 /nfs/dbraw/zinc/11/64/23/171116423.db2.gz JWKROVPGWMBYSO-UHFFFAOYSA-N 0 0 190.221 2.353 10 30 AEEERN N#Cc1c(N)oc2ccc(F)cc12 76208079 171116462 /nfs/dbraw/zinc/11/64/62/171116462.db2.gz FMCODNPWKWRDKU-UHFFFAOYSA-N 0 0 176.150 2.026 10 30 AEEERN N#Cc1c(N)oc2c1CCCCC2 76194015 171116650 /nfs/dbraw/zinc/11/66/50/171116650.db2.gz LKAJDOUNVUJITD-UHFFFAOYSA-N 0 0 176.219 2.002 10 30 AEEERN N#CC1(c2cc(N)ccc2F)CCC1 75933902 171116670 /nfs/dbraw/zinc/11/66/70/171116670.db2.gz XFOTYTKURAROQV-UHFFFAOYSA-N 0 0 190.221 2.353 10 30 AEEERN N#Cc1nc2ccccc2n1C1CC1 76083313 171116711 /nfs/dbraw/zinc/11/67/11/171116711.db2.gz UDOFEZKTKKBQKG-UHFFFAOYSA-N 0 0 183.214 2.243 10 30 AEEERN SCCc1ccc2c(c1)CCO2 77268557 171120136 /nfs/dbraw/zinc/12/01/36/171120136.db2.gz QQQJARVSSAQSRK-UHFFFAOYSA-N 0 0 180.272 2.094 10 30 AEEERN N#Cc1nc(C2CCCCC2)oc1N 77276079 171120419 /nfs/dbraw/zinc/12/04/19/171120419.db2.gz YCRXJFFROSPXTC-UHFFFAOYSA-N 0 0 191.234 2.176 10 30 AEEERN CC#CCn1c(C)nc2ccccc21 43255828 171120479 /nfs/dbraw/zinc/12/04/79/171120479.db2.gz UIOQTEXDRMOZII-UHFFFAOYSA-N 0 0 184.242 2.368 10 30 AEEERN CC(=O)/C=C/[C@@H]1CCCSC1 78130039 171120595 /nfs/dbraw/zinc/12/05/95/171120595.db2.gz OFRGHVLUBPEFPT-MOVJSRMASA-N 0 0 170.277 2.275 10 30 AEEERN CC(=O)/C=C/[C@H]1CCCSC1 78130041 171120641 /nfs/dbraw/zinc/12/06/41/171120641.db2.gz OFRGHVLUBPEFPT-XNPJLODASA-N 0 0 170.277 2.275 10 30 AEEERN CCC1(C#N)CCC(=O)CC1 77260629 171120716 /nfs/dbraw/zinc/12/07/16/171120716.db2.gz PHRHHAAVCIMABW-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN CCCCCCC(=O)C#N 80125337 171121086 /nfs/dbraw/zinc/12/10/86/171121086.db2.gz PUWGZJVZERGZMD-UHFFFAOYSA-N 0 0 139.198 2.049 10 30 AEEERN N#CC1(c2ncns2)CCCCC1 82387918 171121869 /nfs/dbraw/zinc/12/18/69/171121869.db2.gz NYJMWABNVUVKQE-UHFFFAOYSA-N 0 0 193.275 2.264 10 30 AEEERN N#Cc1ccc2nc3ccccc3n2c1 82388321 171122179 /nfs/dbraw/zinc/12/21/79/171122179.db2.gz WFVZGABSPRZCQQ-UHFFFAOYSA-N 0 0 193.209 2.359 10 30 AEEERN N#Cc1nc2cc(F)c(F)cc2s1 45236710 171122290 /nfs/dbraw/zinc/12/22/90/171122290.db2.gz ZESLDIMTZZJJKU-UHFFFAOYSA-N 0 0 196.181 2.446 10 30 AEEERN N#Cc1nc2ccc(F)c(F)c2s1 45236708 171122785 /nfs/dbraw/zinc/12/27/85/171122785.db2.gz XGZNNUMTALCMNQ-UHFFFAOYSA-N 0 0 196.181 2.446 10 30 AEEERN CC(=O)/C=C/C=C/Br 83260051 171128740 /nfs/dbraw/zinc/12/87/40/171128740.db2.gz AFWNEMSTTOCVJE-ZUVMSYQZSA-N 0 0 175.025 2.040 10 30 AEEERN N#Cc1n[nH]c2c(Cl)cccc12 89196124 171133221 /nfs/dbraw/zinc/13/32/21/171133221.db2.gz WVDXZQUKPWVKIH-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#CCCOc1cccc2cc[nH]c12 89209363 171133740 /nfs/dbraw/zinc/13/37/40/171133740.db2.gz QFLNROIHQATJFW-UHFFFAOYSA-N 0 0 186.214 2.460 10 30 AEEERN N#Cc1ccccc1Nc1cncnc1 89224161 171133905 /nfs/dbraw/zinc/13/39/05/171133905.db2.gz LCNFLUJBVSJUGV-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1c(F)ccc2cc[nH]c12 89209095 171134151 /nfs/dbraw/zinc/13/41/51/171134151.db2.gz NPRKBJNRMIAPJL-UHFFFAOYSA-N 0 0 160.151 2.179 10 30 AEEERN C#Cc1ccccc1NC(=O)OCC 34115896 171135070 /nfs/dbraw/zinc/13/50/70/171135070.db2.gz JIVDSVMOLSICNR-UHFFFAOYSA-N 0 0 189.214 2.236 10 30 AEEERN C=C[C@@]1(C)CCn2cccc21 140082039 171135092 /nfs/dbraw/zinc/13/50/92/171135092.db2.gz PTOMSWRRWXEJOW-JTQLQIEISA-N 0 0 147.221 2.336 10 30 AEEERN SCCc1c[nH]c2ncccc12 141267190 171135714 /nfs/dbraw/zinc/13/57/14/171135714.db2.gz QLJSZDBMGWMIKP-UHFFFAOYSA-N 0 0 178.260 2.035 10 30 AEEERN C=C[C@@](C)(O)Cc1ccccc1 34540303 171135723 /nfs/dbraw/zinc/13/57/23/171135723.db2.gz SVUAEXSZNOQUDQ-LLVKDONJSA-N 0 0 162.232 2.166 10 30 AEEERN N#Cc1c(O)cccc1OCC1CC1 95721541 171137199 /nfs/dbraw/zinc/13/71/99/171137199.db2.gz UWPOCOHOVWROBI-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN CC(C)c1cccc(O)c1C#N 95710451 171137306 /nfs/dbraw/zinc/13/73/06/171137306.db2.gz IGKBLGSKQZJICX-UHFFFAOYSA-N 0 0 161.204 2.387 10 30 AEEERN N#Cc1c(O)cccc1CC1CC1 95723440 171137337 /nfs/dbraw/zinc/13/73/37/171137337.db2.gz NHUCOWIONCKSNC-UHFFFAOYSA-N 0 0 173.215 2.216 10 30 AEEERN CC(C)c1cccc(C#N)c1O 95710437 171137442 /nfs/dbraw/zinc/13/74/42/171137442.db2.gz NQLQTWDEAXOGGW-UHFFFAOYSA-N 0 0 161.204 2.387 10 30 AEEERN N#Cc1ccccc1OC1CC1 95709768 171137530 /nfs/dbraw/zinc/13/75/30/171137530.db2.gz UCJGKRKTOPOAIZ-UHFFFAOYSA-N 0 0 159.188 2.099 10 30 AEEERN N#Cc1ccc(OCC2CC2)c(O)c1 95723653 171137540 /nfs/dbraw/zinc/13/75/40/171137540.db2.gz MDPFISGTZKJNEE-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN N#Cc1ccc(OCC2CC2)cc1O 95722171 171137658 /nfs/dbraw/zinc/13/76/58/171137658.db2.gz QFBFJZKJRCSFSP-UHFFFAOYSA-N 0 0 189.214 2.053 10 30 AEEERN N#Cc1ncc(Cl)cc1OC1CC1 95736557 171137760 /nfs/dbraw/zinc/13/77/60/171137760.db2.gz BMLQDDHVAOAJNY-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1nccc(OC2CC2)c1Cl 95736608 171137840 /nfs/dbraw/zinc/13/78/40/171137840.db2.gz PQFZIDPROQOJAR-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1ccc(OC2CC2)c(Cl)n1 95736115 171137844 /nfs/dbraw/zinc/13/78/44/171137844.db2.gz PGWMEMKKKXNPSH-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1ncc(OC2CC2)cc1Cl 95736551 171137874 /nfs/dbraw/zinc/13/78/74/171137874.db2.gz SNAHQLKWAAGQOM-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1nccc(Cl)c1OC1CC1 95736614 171138021 /nfs/dbraw/zinc/13/80/21/171138021.db2.gz IONVTZYASHCEFP-UHFFFAOYSA-N 0 0 194.621 2.148 10 30 AEEERN N#Cc1c(F)cccc1OC1CC1 95734873 171138044 /nfs/dbraw/zinc/13/80/44/171138044.db2.gz QOLYAKKUBQXLKC-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN Cc1ccc(C#N)c(OC2CC2)c1 95736005 171138047 /nfs/dbraw/zinc/13/80/47/171138047.db2.gz MVHDOFICXVDYRR-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN N#Cc1ccc(OC2CC2)cc1F 95736132 171138055 /nfs/dbraw/zinc/13/80/55/171138055.db2.gz HHZBNLPZZCJZBD-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1ccc(OC2CC2)c(F)c1 95736070 171138076 /nfs/dbraw/zinc/13/80/76/171138076.db2.gz KHQBDJKCFVBSPJ-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN CNc1ccc(C#N)cc1OC1CC1 95730963 171138086 /nfs/dbraw/zinc/13/80/86/171138086.db2.gz LRCPKCVLNIKEJF-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN Cc1ccc(C#N)cc1OC1CC1 95736002 171138114 /nfs/dbraw/zinc/13/81/14/171138114.db2.gz CSTIEZSBQXVEHB-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN CNc1ccc(C#N)c(OC2CC2)c1 95725267 171138153 /nfs/dbraw/zinc/13/81/53/171138153.db2.gz HCJAYCAUPTZBBU-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN N#Cc1ccc2c(c1N)[C@@H](C#N)CCC2 95775721 171139539 /nfs/dbraw/zinc/13/95/39/171139539.db2.gz CTYMDSZYIQVIPH-SECBINFHSA-N 0 0 197.241 2.084 10 30 AEEERN N#Cc1ccc2c(c1N)CCCC2 95775712 171139904 /nfs/dbraw/zinc/13/99/04/171139904.db2.gz BISTYQPUBWIBON-UHFFFAOYSA-N 0 0 172.231 2.019 10 30 AEEERN N#Cc1ccc2c(c1N)[C@H](C#N)CCC2 95775722 171140103 /nfs/dbraw/zinc/14/01/03/171140103.db2.gz CTYMDSZYIQVIPH-VIFPVBQESA-N 0 0 197.241 2.084 10 30 AEEERN CC/C=C/C/C=C/C(C)=O 95932127 171140195 /nfs/dbraw/zinc/14/01/95/171140195.db2.gz LXEYQCJEHJZVAR-AOSYACOCSA-N 0 0 138.210 2.488 10 30 AEEERN CC(C)C#Cc1ccnc(Cl)n1 95917495 171140652 /nfs/dbraw/zinc/14/06/52/171140652.db2.gz QJVPOUQTKUELBM-UHFFFAOYSA-N 0 0 180.638 2.138 10 30 AEEERN CC/C=C\C/C=C\C(C)=O 95932126 171140673 /nfs/dbraw/zinc/14/06/73/171140673.db2.gz LXEYQCJEHJZVAR-UTOQUPLUSA-N 0 0 138.210 2.488 10 30 AEEERN CCC/C=N/[S@@](=O)C(C)(C)C 96300468 171141049 /nfs/dbraw/zinc/14/10/49/171141049.db2.gz ZBFJREMTWBYHFO-MXMFLMJRSA-N 0 0 175.297 2.320 10 30 in-vitro AEEERN CCC/C=C\C(=O)CC 100028518 171143379 /nfs/dbraw/zinc/14/33/79/171143379.db2.gz JPTOCTSNXXKSSN-SREVYHEPSA-N 0 0 126.199 2.322 10 30 AEEERN Cc1ccc2[nH]cc(/C=N\O)c2c1 100144338 171143578 /nfs/dbraw/zinc/14/35/78/171143578.db2.gz QOWLPBCZFZKRJO-SDQBBNPISA-N 0 0 174.203 2.284 10 30 AEEERN CC(=O)/C=C1/Cc2ccccc21 100068140 171143791 /nfs/dbraw/zinc/14/37/91/171143791.db2.gz HSWMQRVHOHJXTQ-POHAHGRESA-N 0 0 158.200 2.215 10 30 AEEERN CC(C)/C=C1/C(=O)C=C[C@H]1C 100205997 171144030 /nfs/dbraw/zinc/14/40/30/171144030.db2.gz SDYWZZHICKFXNQ-GTUWVTDSSA-N 0 0 150.221 2.344 10 30 AEEERN CC(C)/C=C1/C(=O)C=C[C@@H]1C 100206000 171144062 /nfs/dbraw/zinc/14/40/62/171144062.db2.gz SDYWZZHICKFXNQ-CYXIBPNKSA-N 0 0 150.221 2.344 10 30 AEEERN CC(C)=CC(=O)C(F)(F)F 100199049 171144273 /nfs/dbraw/zinc/14/42/73/171144273.db2.gz MADVMHHBWSVUQF-UHFFFAOYSA-N 0 0 152.115 2.084 10 30 AEEERN CC(=O)C1=C(O)C[C@@H]2[C@H]1C2(C)C 100221831 171144437 /nfs/dbraw/zinc/14/44/37/171144437.db2.gz FHHHEZNSTZUBDR-FYAHHGKUSA-N 0 0 166.220 2.063 10 30 AEEERN CCCNC(C)=CC(C)=O 100219049 171144458 /nfs/dbraw/zinc/14/44/58/171144458.db2.gz UBCOFRTZBKFTND-MKKAVFGOSA-N 0 0 141.214 2.319 10 30 AEEERN CC(=O)C1=C(O)C[C@@H]2[C@H]1C2(C)C 100221651 171144469 /nfs/dbraw/zinc/14/44/69/171144469.db2.gz FHHHEZNSTZUBDR-DKCHPDHTSA-N 0 0 166.220 2.063 10 30 AEEERN COc1ccccc1SC[C@H]1CO1 41030662 171145090 /nfs/dbraw/zinc/14/50/90/171145090.db2.gz BKCYTBGUDFKRRX-MRVPVSSYSA-N 0 0 196.271 2.186 10 30 AEEERN COc1ccccc1SC[C@@H]1CO1 41030661 171145093 /nfs/dbraw/zinc/14/50/93/171145093.db2.gz BKCYTBGUDFKRRX-QMMMGPOBSA-N 0 0 196.271 2.186 10 30 AEEERN CCCN[C@@H](C#N)C(CC)CC 41049685 171145402 /nfs/dbraw/zinc/14/54/02/171145402.db2.gz FAKSRDXEDUUMQG-JTQLQIEISA-N 0 0 168.284 2.314 10 30 AEEERN CCN(CC)[C@@H](C#N)C(C)(C)C 41051936 171145454 /nfs/dbraw/zinc/14/54/54/171145454.db2.gz HUNVTCAUIFZLPX-VIFPVBQESA-N 0 0 168.284 2.266 10 30 AEEERN CC/C=C/[C@H](C=O)CC 101637902 171145748 /nfs/dbraw/zinc/14/57/48/171145748.db2.gz UQHUGDVZNYJETO-HQZHTGGTSA-N 0 0 126.199 2.178 10 30 AEEERN Cc1ccccc1CCC(=O)CC#N 41203792 171145778 /nfs/dbraw/zinc/14/57/78/171145778.db2.gz FAHLUWKJIGPHCR-UHFFFAOYSA-N 0 0 187.242 2.410 10 30 AEEERN N#C[C@H](NCC1CC1)c1cccs1 41672056 171146560 /nfs/dbraw/zinc/14/65/60/171146560.db2.gz BZUWJQNFRNYBRU-VIFPVBQESA-N 0 0 192.287 2.312 10 30 AEEERN N#C[C@@H](NCC1CC1)c1cccs1 41672054 171146852 /nfs/dbraw/zinc/14/68/52/171146852.db2.gz BZUWJQNFRNYBRU-SECBINFHSA-N 0 0 192.287 2.312 10 30 AEEERN CC(=O)/C=C1/OCc2ccccc21 103210117 171146862 /nfs/dbraw/zinc/14/68/62/171146862.db2.gz RBHHGDADHCEGTP-IZZDOVSWSA-N 0 0 174.199 2.147 10 30 AEEERN CC(=O)C=C(C)Nc1cccc(O)c1 103318551 171147250 /nfs/dbraw/zinc/14/72/50/171147250.db2.gz XHLASXCUFACIRT-SOFGYWHQSA-N 0 0 191.230 2.297 10 30 AEEERN N#CC(=O)c1ccccc1C(F)(F)F 103710418 171147489 /nfs/dbraw/zinc/14/74/89/171147489.db2.gz OZXQMEYKAWVAQF-UHFFFAOYSA-N 0 0 199.131 2.412 10 30 AEEERN C[C@H]1CC/C(=N\C(C)(C)C)O1 104833094 171147828 /nfs/dbraw/zinc/14/78/28/171147828.db2.gz QXWNSSBNEAMXNN-IVJKGPJYSA-N 0 0 155.241 2.382 10 30 AEEERN c1cc(CCC[C@H]2CO2)co1 104834283 171147875 /nfs/dbraw/zinc/14/78/75/171147875.db2.gz AOOKRINORIVJID-VIFPVBQESA-N 0 0 152.193 2.001 10 30 AEEERN C[C@@H]1CC/C(=N\C(C)(C)C)O1 104833091 171147893 /nfs/dbraw/zinc/14/78/93/171147893.db2.gz QXWNSSBNEAMXNN-PLVWVKTPSA-N 0 0 155.241 2.382 10 30 AEEERN N#Cc1cccc(-c2ccco2)c1N 104837225 171148006 /nfs/dbraw/zinc/14/80/06/171148006.db2.gz XAIMQTCYPBZANA-UHFFFAOYSA-N 0 0 184.198 2.400 10 30 AEEERN c1cc(CCC[C@@H]2CO2)co1 104834281 171148091 /nfs/dbraw/zinc/14/80/91/171148091.db2.gz AOOKRINORIVJID-SECBINFHSA-N 0 0 152.193 2.001 10 30 AEEERN CC(=O)/C=C/C[C@@H]1CCCCC1=O 104836625 171148100 /nfs/dbraw/zinc/14/81/00/171148100.db2.gz PWPICBAFHLJEMB-YEZKRMTDSA-N 0 0 180.247 2.281 10 30 AEEERN CC(=O)/C=C/[C@H]1O[C@H]1c1ccccc1 104835223 171148104 /nfs/dbraw/zinc/14/81/04/171148104.db2.gz HLNKEVVIXSKXFP-LASXONHFSA-N 0 0 188.226 2.272 10 30 AEEERN N#CCCN(c1nccs1)C1CC1 42549595 171148144 /nfs/dbraw/zinc/14/81/44/171148144.db2.gz GSZODAWQCUHIKT-UHFFFAOYSA-N 0 0 193.275 2.026 10 30 AEEERN CC(=O)/C=C/[C@@H]1O[C@@H]1c1ccccc1 104835233 171148153 /nfs/dbraw/zinc/14/81/53/171148153.db2.gz HLNKEVVIXSKXFP-ADYIUWEDSA-N 0 0 188.226 2.272 10 30 AEEERN CC(=O)/C=C/[C@@H]1O[C@H]1c1ccccc1 104835227 171148211 /nfs/dbraw/zinc/14/82/11/171148211.db2.gz HLNKEVVIXSKXFP-BRQSLIGTSA-N 0 0 188.226 2.272 10 30 AEEERN CC(=O)/C=C/[C@H]1O[C@@H]1c1ccccc1 104835230 171148217 /nfs/dbraw/zinc/14/82/17/171148217.db2.gz HLNKEVVIXSKXFP-IDDPWSFUSA-N 0 0 188.226 2.272 10 30 AEEERN CC(=O)/C=C/C[C@H]1CCCCC1=O 104836629 171148335 /nfs/dbraw/zinc/14/83/35/171148335.db2.gz PWPICBAFHLJEMB-ORAHPGNNSA-N 0 0 180.247 2.281 10 30 AEEERN CC(C)=C/C=C/[C@@H](C)C=O 105576686 171148723 /nfs/dbraw/zinc/14/87/23/171148723.db2.gz MWOSZASKCJRAKQ-OTQAPUNGSA-N 0 0 138.210 2.344 10 30 AEEERN C/C=C/C(=O)[C@]1(C)CCCC(=O)C1 104840238 171148808 /nfs/dbraw/zinc/14/88/08/171148808.db2.gz DNYBTDYSVATSGT-JOAKQRRISA-N 0 0 180.247 2.281 10 30 AEEERN C/C=C/C(=O)[C@@]1(C)CCCC(=O)C1 104840242 171148816 /nfs/dbraw/zinc/14/88/16/171148816.db2.gz DNYBTDYSVATSGT-TZNOJPMFSA-N 0 0 180.247 2.281 10 30 AEEERN Cc1ccc(C#CCCO)cc1C 37470710 171150366 /nfs/dbraw/zinc/15/03/66/171150366.db2.gz LLGPFVSBFMYWMF-UHFFFAOYSA-N 0 0 174.243 2.037 10 30 AEEERN CCCCc1ccc(C#CCO)cc1 37470686 171150568 /nfs/dbraw/zinc/15/05/68/171150568.db2.gz SZPCZPKJYQVWFD-UHFFFAOYSA-N 0 0 188.270 2.373 10 30 AEEERN Cc1ccc(C#CCCO)c(C)c1 37470688 171150804 /nfs/dbraw/zinc/15/08/04/171150804.db2.gz YMWHFEDUIXZXOA-UHFFFAOYSA-N 0 0 174.243 2.037 10 30 AEEERN N#CCCCOc1ccc(N)c(F)c1 43472298 171151287 /nfs/dbraw/zinc/15/12/87/171151287.db2.gz HDFMLHWBBPGVIW-UHFFFAOYSA-N 0 0 194.209 2.090 10 30 AEEERN C=C(Br)C[NH2+][C@@H](C)CC 37680862 171151296 /nfs/dbraw/zinc/15/12/96/171151296.db2.gz WONPINVEFMOFFZ-ZETCQYMHSA-N 0 0 192.100 2.283 10 30 AEEERN CCCC#CCO[C@H]1CCCCO1 37593906 171151325 /nfs/dbraw/zinc/15/13/25/171151325.db2.gz SVUNYHYPDGDIPF-LLVKDONJSA-N 0 0 182.263 2.333 10 30 AEEERN C=C(CCO)CC(C)(C)C 37631021 171151476 /nfs/dbraw/zinc/15/14/76/171151476.db2.gz KHWZLKCBVYMUHK-UHFFFAOYSA-N 0 0 142.242 2.361 10 30 AEEERN C=C(C)[C@@H]1CCCC(=O)C1 37631725 171151570 /nfs/dbraw/zinc/15/15/70/171151570.db2.gz TYQGXKQUZWWNDA-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CCC#CC#Cc1ccccc1C=O 37632235 171151742 /nfs/dbraw/zinc/15/17/42/171151742.db2.gz PGNKYDXNVRPAMW-UHFFFAOYSA-N 0 0 182.222 2.264 10 30 AEEERN CCCCCCCC#CC#CCO 44351063 171151896 /nfs/dbraw/zinc/15/18/96/171151896.db2.gz PNIYCBRYTYWDGO-UHFFFAOYSA-N 0 0 178.275 2.346 10 30 AEEERN CCCC#CCO[C@@H]1CCCCO1 37593905 171151921 /nfs/dbraw/zinc/15/19/21/171151921.db2.gz SVUNYHYPDGDIPF-NSHDSACASA-N 0 0 182.263 2.333 10 30 AEEERN CCCCCC(=O)N(CC#N)CCC 44372804 171151948 /nfs/dbraw/zinc/15/19/48/171151948.db2.gz BHKVLNZQJCVUTL-UHFFFAOYSA-N 0 0 196.294 2.329 10 30 AEEERN C=C(C)[C@@H](C)[C@H](O)C(F)(F)F 37631023 171151981 /nfs/dbraw/zinc/15/19/81/171151981.db2.gz AVRXBKPWYHPMDX-RITPCOANSA-N 0 0 168.158 2.122 10 30 AEEERN CC(C)OC(=O)N(CCC#N)C(C)C 44240095 171151984 /nfs/dbraw/zinc/15/19/84/171151984.db2.gz OTLIZDVYZHBQMT-UHFFFAOYSA-N 0 0 198.266 2.155 10 30 AEEERN CC(=O)C#CC1CCCCC1 37632146 171152240 /nfs/dbraw/zinc/15/22/40/171152240.db2.gz OMZDUCPMYTYTCI-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CC(C)(C)SCC[C@@](C)(N)C#N 45217074 171152671 /nfs/dbraw/zinc/15/26/71/171152671.db2.gz GROBKNMSWRORMP-SECBINFHSA-N 0 0 186.324 2.149 10 30 AEEERN CC(C)(C)SCC[C@](C)(N)C#N 45217073 171152965 /nfs/dbraw/zinc/15/29/65/171152965.db2.gz GROBKNMSWRORMP-VIFPVBQESA-N 0 0 186.324 2.149 10 30 AEEERN CC/C=C1/CCCC1=O 111873648 171153497 /nfs/dbraw/zinc/15/34/97/171153497.db2.gz RBBXMNMQOGQFMV-DAXSKMNVSA-N 0 0 124.183 2.076 10 30 AEEERN CCCN[C@@H](C#N)CSCCC 45333643 171153554 /nfs/dbraw/zinc/15/35/54/171153554.db2.gz LEEKNEUZLGFFFG-VIFPVBQESA-N 0 0 186.324 2.021 10 30 AEEERN N#CCCCCOCC(F)(F)F 49313402 171153580 /nfs/dbraw/zinc/15/35/80/171153580.db2.gz HKJFQTIJANWSKK-UHFFFAOYSA-N 0 0 181.157 2.259 10 30 AEEERN CC(C)(C)SC[C@@H](C#N)NC1CC1 45333610 171153587 /nfs/dbraw/zinc/15/35/87/171153587.db2.gz HYEXLYOWGVDFJM-SECBINFHSA-N 0 0 198.335 2.162 10 30 AEEERN N#CCCCNc1ccc(CC#N)cc1 49537678 171153664 /nfs/dbraw/zinc/15/36/64/171153664.db2.gz HPCSXMCYZZDRDY-UHFFFAOYSA-N 0 0 199.257 2.468 10 30 AEEERN CCCN[C@@H](C#N)CSC(C)C 45366302 171153747 /nfs/dbraw/zinc/15/37/47/171153747.db2.gz DBUBSKKOVRWUGA-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN N#CCCNCc1c[nH]c2ccccc12 48436899 171153773 /nfs/dbraw/zinc/15/37/73/171153773.db2.gz ZFYVBTFUZIQVCQ-UHFFFAOYSA-N 0 0 199.257 2.171 10 30 AEEERN N#CCCCCOC[C@H]1CCCCO1 49579535 171154103 /nfs/dbraw/zinc/15/41/03/171154103.db2.gz PRZJXXAWBBLYQG-LLVKDONJSA-N 0 0 197.278 2.266 10 30 AEEERN N#CCCCCOCc1ccco1 49579510 171154121 /nfs/dbraw/zinc/15/41/21/171154121.db2.gz BOCUVSZYRJZBPN-UHFFFAOYSA-N 0 0 179.219 2.490 10 30 AEEERN N#CCCCCOc1ccc(O)cc1 49578854 171154190 /nfs/dbraw/zinc/15/41/90/171154190.db2.gz YQYZQZDGSWTICH-UHFFFAOYSA-N 0 0 191.230 2.465 10 30 AEEERN N#CCCCCOC[C@@H]1CCCCO1 49579534 171154262 /nfs/dbraw/zinc/15/42/62/171154262.db2.gz PRZJXXAWBBLYQG-NSHDSACASA-N 0 0 197.278 2.266 10 30 AEEERN N#CCCCCOCC1CC1 49579549 171154290 /nfs/dbraw/zinc/15/42/90/171154290.db2.gz HHDGSNYHYVITRC-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN N#CCCCCn1cc(Cl)cn1 49579498 171154339 /nfs/dbraw/zinc/15/43/39/171154339.db2.gz OWULTPSTLHCFFD-UHFFFAOYSA-N 0 0 183.642 2.230 10 30 AEEERN N#CCCCCOc1ccccc1O 49578855 171154447 /nfs/dbraw/zinc/15/44/47/171154447.db2.gz SUYVHNIXVJSEIZ-UHFFFAOYSA-N 0 0 191.230 2.465 10 30 AEEERN N#CCCOCCc1cccs1 49585470 171154457 /nfs/dbraw/zinc/15/44/57/171154457.db2.gz UAQSXEXIGWJJQF-UHFFFAOYSA-N 0 0 181.260 2.221 10 30 AEEERN CCCN[C@@H](C#N)[C@@H](C)CCC 49953373 171154806 /nfs/dbraw/zinc/15/48/06/171154806.db2.gz BQINRRCXZJCFEX-UWVGGRQHSA-N 0 0 168.284 2.314 10 30 AEEERN CCCN[C@@H](C#N)[C@H](C)CCC 49953372 171155275 /nfs/dbraw/zinc/15/52/75/171155275.db2.gz BQINRRCXZJCFEX-ZJUUUORDSA-N 0 0 168.284 2.314 10 30 AEEERN Cc1ccc(C#N)cc1NC[C@H](C)C#N 50430253 171155732 /nfs/dbraw/zinc/15/57/32/171155732.db2.gz DPRMDOUVLFLCKB-SECBINFHSA-N 0 0 199.257 2.438 10 30 AEEERN Cc1ccc(C#N)cc1NC[C@@H](C)C#N 50430252 171155930 /nfs/dbraw/zinc/15/59/30/171155930.db2.gz DPRMDOUVLFLCKB-VIFPVBQESA-N 0 0 199.257 2.438 10 30 AEEERN Cc1ccc(C#CC(C)(C)O)cc1 2534487 171156092 /nfs/dbraw/zinc/15/60/92/171156092.db2.gz WGEOZUVLHXNJKB-UHFFFAOYSA-N 0 0 174.243 2.117 10 30 AEEERN Cc1ccc(C#N)c(-n2ccnc2C)c1 51598280 171159619 /nfs/dbraw/zinc/15/96/19/171159619.db2.gz RRJQTHRZEQPXLC-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN N#Cc1ccccc1NCc1ccc[nH]1 51787975 171161006 /nfs/dbraw/zinc/16/10/06/171161006.db2.gz WKPHCIVXKFAOAR-UHFFFAOYSA-N 0 0 197.241 2.498 10 30 AEEERN N#CCCOCC1CCCCC1 52153996 171161529 /nfs/dbraw/zinc/16/15/29/171161529.db2.gz OMBFJMOTSQYZDY-UHFFFAOYSA-N 0 0 167.252 2.497 10 30 AEEERN N#CCCCCOCC1CCOCC1 52154322 171162030 /nfs/dbraw/zinc/16/20/30/171162030.db2.gz NXLFXKQUHJIYNP-UHFFFAOYSA-N 0 0 197.278 2.123 10 30 AEEERN N#CCCCOc1ccc(F)cc1N 52064736 171162073 /nfs/dbraw/zinc/16/20/73/171162073.db2.gz GFHYVQGMXSYLFP-UHFFFAOYSA-N 0 0 194.209 2.090 10 30 AEEERN COc1ccccc1C[C@@H](C)C=O 1589928 171162667 /nfs/dbraw/zinc/16/26/67/171162667.db2.gz JWNPPQNGBZUOBQ-SECBINFHSA-N 0 0 178.231 2.073 10 30 AEEERN N#C[C@H](c1ccccc1)c1cnccn1 1611965 171163119 /nfs/dbraw/zinc/16/31/19/171163119.db2.gz WOSTXRNGUMYIBI-LLVKDONJSA-N 0 0 195.225 2.132 10 30 AEEERN C=CCCC1CCOCC1 148277269 171163341 /nfs/dbraw/zinc/16/33/41/171163341.db2.gz FBNPRTTXHTWEFF-UHFFFAOYSA-N 0 0 140.226 2.379 10 30 AEEERN CS/C(=N\C#N)N1CCCCCC1 103597077 171163534 /nfs/dbraw/zinc/16/35/34/171163534.db2.gz COWMJUXPTWGJNI-LUAWRHEFSA-N 0 0 197.307 2.062 10 30 AEEERN CS/C(=N\C#N)N1CCCC[C@@H]1C 103597094 171163789 /nfs/dbraw/zinc/16/37/89/171163789.db2.gz DDEMWHBOOFHJMN-HXFLENJLSA-N 0 0 197.307 2.061 10 30 AEEERN CS/C(=N\C#N)N1CCCC[C@H]1C 103597091 171163819 /nfs/dbraw/zinc/16/38/19/171163819.db2.gz DDEMWHBOOFHJMN-IDTVXWRCSA-N 0 0 197.307 2.061 10 30 AEEERN COc1ccccc1C[C@H](C)C=O 2046158 171163990 /nfs/dbraw/zinc/16/39/90/171163990.db2.gz JWNPPQNGBZUOBQ-VIFPVBQESA-N 0 0 178.231 2.073 10 30 AEEERN COC/C=C/C(=O)c1ccccc1 103230557 171164381 /nfs/dbraw/zinc/16/43/81/171164381.db2.gz INGIVWOHAHWXAJ-VMPITWQZSA-N 0 0 176.215 2.072 10 30 AEEERN C#C[C@@H](O)CCCCCCC 103836865 171164476 /nfs/dbraw/zinc/16/44/76/171164476.db2.gz DQBUGZRLSSLUKC-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN CCCCCC(=O)CCC=O 5820095 171164752 /nfs/dbraw/zinc/16/47/52/171164752.db2.gz MGOKSQNXXRPCMD-UHFFFAOYSA-N 0 0 156.225 2.115 10 30 endogenous,in-man AEEERN N#C[C@@H](c1ccccc1)c1cnccn1 5488934 171164782 /nfs/dbraw/zinc/16/47/82/171164782.db2.gz WOSTXRNGUMYIBI-NSHDSACASA-N 0 0 195.225 2.132 10 30 AEEERN CCC#CCC(OCC)OCC 5458350 171165111 /nfs/dbraw/zinc/16/51/11/171165111.db2.gz ABFCOHSGVBONIO-UHFFFAOYSA-N 0 0 170.252 2.189 10 30 AEEERN C[Si](C)(C)c1ccc(C#N)s1 169996694 171165817 /nfs/dbraw/zinc/16/58/17/171165817.db2.gz HGJALRLIEMOECV-UHFFFAOYSA-N 0 0 181.336 2.165 10 30 AEEERN CC(C)c1ccccc1OCC=O 11569718 171166463 /nfs/dbraw/zinc/16/64/63/171166463.db2.gz FVBUAGMUSYZYHT-UHFFFAOYSA-N 0 0 178.231 2.388 10 30 AEEERN CC(C)c1cccc(OCC=O)c1 11569719 171167061 /nfs/dbraw/zinc/16/70/61/171167061.db2.gz WNSSWQIQLLKHJI-UHFFFAOYSA-N 0 0 178.231 2.388 10 30 AEEERN C=CCCCCCC#CC#CCO 15146243 171167460 /nfs/dbraw/zinc/16/74/60/171167460.db2.gz LGNSCSQFQCDGPG-UHFFFAOYSA-N 0 0 176.259 2.122 10 30 AEEERN N#CCCOc1ccc(CC#N)cc1 19425981 171168163 /nfs/dbraw/zinc/16/81/63/171168163.db2.gz OZGYOUNPHLOGNG-UHFFFAOYSA-N 0 0 186.214 2.045 10 30 AEEERN C#CCCN(CCC#N)c1ccccc1 19440564 171168313 /nfs/dbraw/zinc/16/83/13/171168313.db2.gz XNAAAHOAROFQII-UHFFFAOYSA-N 0 0 198.269 2.430 10 30 AEEERN COc1ccccc1NCCCC#N 20040134 171169031 /nfs/dbraw/zinc/16/90/31/171169031.db2.gz CPNIQKAWZQAXBK-UHFFFAOYSA-N 0 0 190.246 2.411 10 30 AEEERN CCCN[C@@H](C#N)c1cccc(C#N)c1 20380199 171169299 /nfs/dbraw/zinc/16/92/99/171169299.db2.gz XWHDCOIOQBASGB-LBPRGKRZSA-N 0 0 199.257 2.123 10 30 AEEERN CCCN[C@@H](C#N)c1ccc(C#N)cc1 20380061 171169484 /nfs/dbraw/zinc/16/94/84/171169484.db2.gz QRIGJKWVXMQAKD-LBPRGKRZSA-N 0 0 199.257 2.123 10 30 AEEERN CCCN[C@@H](C#N)c1cccc(F)c1 20380640 171169658 /nfs/dbraw/zinc/16/96/58/171169658.db2.gz NODIHMCAJWEJTN-NSHDSACASA-N 0 0 192.237 2.390 10 30 AEEERN N#Cc1ccc2cc(C=O)oc2c1 82400694 171170877 /nfs/dbraw/zinc/17/08/77/171170877.db2.gz PYGYOANGSLRTQD-UHFFFAOYSA-N 0 0 171.155 2.117 10 30 AEEERN N#Cc1oncc1-c1ccccc1 82401140 171170921 /nfs/dbraw/zinc/17/09/21/171170921.db2.gz CCOBFSXZBXRSDZ-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#CCCCCc1cc[nH]c1 82522370 171172110 /nfs/dbraw/zinc/17/21/10/171172110.db2.gz PXTAXFJANVGZHD-UHFFFAOYSA-N 0 0 148.209 2.251 10 30 AEEERN COc1ccc2c(C#N)cn(C)c2c1 82588119 171172879 /nfs/dbraw/zinc/17/28/79/171172879.db2.gz BYKRGNYHZUHTPE-UHFFFAOYSA-N 0 0 186.214 2.059 10 30 AEEERN N#CCCCc1ccc2[nH]cnc2c1 82588104 171172954 /nfs/dbraw/zinc/17/29/54/171172954.db2.gz LZTYPCFRAQODHQ-UHFFFAOYSA-N 0 0 185.230 2.409 10 30 AEEERN C=C[C@@](C)(O)C/C=C/C(=C)C 5158137 171173246 /nfs/dbraw/zinc/17/32/46/171173246.db2.gz ZJIQIJIQBTVTDY-VQCYPWCPSA-N 0 0 152.237 2.446 10 30 in-vitro,metabolite AEEERN C#C[C@@H](C)Oc1ccc(C)cc1 38338064 171173564 /nfs/dbraw/zinc/17/35/64/171173564.db2.gz SKDKDBPUOHNXOO-SNVBAGLBSA-N 0 0 160.216 2.396 10 30 AEEERN COCC#CC1=CCCCC1 38255799 171173924 /nfs/dbraw/zinc/17/39/24/171173924.db2.gz BFTDLXLYHIZWNH-UHFFFAOYSA-N 0 0 150.221 2.137 10 30 AEEERN C#CC(=O)C12CC3CC(CC(C3)C1)C2 38234790 171174003 /nfs/dbraw/zinc/17/40/03/171174003.db2.gz LIKDMNKAJNDJDP-UHFFFAOYSA-N 0 0 188.270 2.405 10 30 AEEERN CCCC#Cc1ccccn1 38233954 171174083 /nfs/dbraw/zinc/17/40/83/171174083.db2.gz SUEMVJCGADBPNZ-UHFFFAOYSA-N 0 0 145.205 2.233 10 30 AEEERN C#Cc1cccc(NCc2c[nH]cn2)c1 54762845 171174877 /nfs/dbraw/zinc/17/48/77/171174877.db2.gz UBSSBQPATITJRY-UHFFFAOYSA-N 0 0 197.241 2.003 10 30 AEEERN N#Cc1nccc2cccc(F)c12 82766663 171175002 /nfs/dbraw/zinc/17/50/02/171175002.db2.gz KSDYRCGNWANWGB-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN N#Cc1c(F)ccc2cnccc12 82768428 171175003 /nfs/dbraw/zinc/17/50/03/171175003.db2.gz OEUJLWYTUXJGOD-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN C=CCCCCC1(C)OCCO1 38671487 171175013 /nfs/dbraw/zinc/17/50/13/171175013.db2.gz BJNUNKNYTDAANA-UHFFFAOYSA-N 0 0 170.252 2.496 10 30 AEEERN Cc1ccc(C#N)c2ccncc12 82768434 171175050 /nfs/dbraw/zinc/17/50/50/171175050.db2.gz MGEQNHYRGYZKJA-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN CC(C)C#C[C@@H]1CCCC1=O 39049875 171175068 /nfs/dbraw/zinc/17/50/68/171175068.db2.gz ZMEFLOKAORPBNX-VIFPVBQESA-N 0 0 150.221 2.015 10 30 AEEERN CCC#C[C@@H]1CCCCC1=O 39049882 171175111 /nfs/dbraw/zinc/17/51/11/171175111.db2.gz BPGVMTFAFHATOL-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN CN1CCCCc2cc(C#N)ccc21 206852036 171175133 /nfs/dbraw/zinc/17/51/33/171175133.db2.gz SKCMDGROWJGZOP-UHFFFAOYSA-N 0 0 186.258 2.331 10 30 AEEERN CC#CC[C@@H](O)c1ccccc1 38665439 171175159 /nfs/dbraw/zinc/17/51/59/171175159.db2.gz ICTFKUCLZIQZEY-LLVKDONJSA-N 0 0 160.216 2.133 10 30 AEEERN CC#CC1=CC(C)(C)N=N1 39049119 171175448 /nfs/dbraw/zinc/17/54/48/171175448.db2.gz OHAZXBYDXNEXAO-UHFFFAOYSA-N 0 0 134.182 2.138 10 30 AEEERN CCCC#Cc1ccco1 39049088 171175471 /nfs/dbraw/zinc/17/54/71/171175471.db2.gz SKQVKAJZPAABMQ-UHFFFAOYSA-N 0 0 134.178 2.431 10 30 AEEERN CC(C)C#C[C@H]1CCCC1=O 39049876 171175505 /nfs/dbraw/zinc/17/55/05/171175505.db2.gz ZMEFLOKAORPBNX-SECBINFHSA-N 0 0 150.221 2.015 10 30 AEEERN CCOC#CC1CCCC1 39049347 171175520 /nfs/dbraw/zinc/17/55/20/171175520.db2.gz MEXJZWYATJUIDG-UHFFFAOYSA-N 0 0 138.210 2.174 10 30 AEEERN C#CCCC[C@@H](C)C(C)=O 39068894 171175525 /nfs/dbraw/zinc/17/55/25/171175525.db2.gz LQTUEWFOPNPJER-MRVPVSSYSA-N 0 0 138.210 2.015 10 30 AEEERN C=C[C@@]1(C(C)=O)C[C@H]1C(=C)C 39069679 171175527 /nfs/dbraw/zinc/17/55/27/171175527.db2.gz QLMYDDKEEYFXOT-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN C=CC(=C)C[C@H]1CCCC1=O 39111470 171175541 /nfs/dbraw/zinc/17/55/41/171175541.db2.gz CQZIPXDYBFCAOI-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=C[C@](C)(CC)C(C)=O 39068177 171175544 /nfs/dbraw/zinc/17/55/44/171175544.db2.gz YVYIMPBNLVMKGH-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN C#C[C@@H](C)Nc1ccc(OC)cc1 39089945 171175574 /nfs/dbraw/zinc/17/55/74/171175574.db2.gz ICYFRKNXVRXFCO-SECBINFHSA-N 0 0 175.231 2.129 10 30 AEEERN CC#Cc1ccc(N(C)C)cc1 39081333 171175589 /nfs/dbraw/zinc/17/55/89/171175589.db2.gz MBCJMBITMRVQSJ-UHFFFAOYSA-N 0 0 159.232 2.124 10 30 AEEERN C#CCO[C@H]1C=CCCCC1 39089138 171175602 /nfs/dbraw/zinc/17/56/02/171175602.db2.gz JOSFXENEDGPHNR-JTQLQIEISA-N 0 0 150.221 2.135 10 30 AEEERN C=C(C)C#Cc1nccs1 39049731 171175607 /nfs/dbraw/zinc/17/56/07/171175607.db2.gz IAQSWKDPZNBIEK-UHFFFAOYSA-N 0 0 149.218 2.071 10 30 AEEERN CCC#Cc1ccc(C=O)cc1 39063172 171175624 /nfs/dbraw/zinc/17/56/24/171175624.db2.gz ITJKPXXFQAEEJI-UHFFFAOYSA-N 0 0 158.200 2.261 10 30 AEEERN CC#C[C@@]12CCCCC[C@@H]1O2 39049781 171175631 /nfs/dbraw/zinc/17/56/31/171175631.db2.gz DCRZDFZSBMTHQK-VHSXEESVSA-N 0 0 150.221 2.111 10 30 AEEERN C=C[C@@]1(C(C)=O)C[C@@H]1C(=C)C 39069680 171175758 /nfs/dbraw/zinc/17/57/58/171175758.db2.gz QLMYDDKEEYFXOT-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@H]1O[C@@H]1C#CCCCC 39049918 171175766 /nfs/dbraw/zinc/17/57/66/171175766.db2.gz WPJHMHHITGRIGR-NXEZZACHSA-N 0 0 150.221 2.133 10 30 AEEERN C=CCC#Cc1cccnc1 39050783 171175797 /nfs/dbraw/zinc/17/57/97/171175797.db2.gz DWHMKMIJKQCKPJ-UHFFFAOYSA-N 0 0 143.189 2.009 10 30 AEEERN CCC#CCOc1cccc(N)c1 39089911 171175835 /nfs/dbraw/zinc/17/58/35/171175835.db2.gz WDVYLZYBCPMVLM-UHFFFAOYSA-N 0 0 175.231 2.061 10 30 AEEERN C=C(C)[C@@H]1CC(C)=C[C@H](O)C1 39059397 171175885 /nfs/dbraw/zinc/17/58/85/171175885.db2.gz KGBYJUNQUOTCBO-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN CCCC#Cc1cccc(OC)n1 39089921 171175967 /nfs/dbraw/zinc/17/59/67/171175967.db2.gz ZTNCSWBLOFFKJV-UHFFFAOYSA-N 0 0 175.231 2.242 10 30 AEEERN C#CCO[C@@H]1C=CCCCC1 39089139 171176250 /nfs/dbraw/zinc/17/62/50/171176250.db2.gz JOSFXENEDGPHNR-SNVBAGLBSA-N 0 0 150.221 2.135 10 30 AEEERN CC#Cc1cccc(F)c1C=O 39088942 171176349 /nfs/dbraw/zinc/17/63/49/171176349.db2.gz FTUILIVRMOKUMY-UHFFFAOYSA-N 0 0 162.163 2.010 10 30 AEEERN C#CCOC1=C(C)CCCC1 39089150 171176566 /nfs/dbraw/zinc/17/65/66/171176566.db2.gz LQXAWABKZGEFGN-UHFFFAOYSA-N 0 0 150.221 2.484 10 30 AEEERN CCCC#CCCC(C)=O 39068867 171176706 /nfs/dbraw/zinc/17/67/06/171176706.db2.gz KHGADPZWZGCLSA-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN C=C[C@H]1O[C@H]1C#CCCCC 39049919 171176909 /nfs/dbraw/zinc/17/69/09/171176909.db2.gz WPJHMHHITGRIGR-ZJUUUORDSA-N 0 0 150.221 2.133 10 30 AEEERN C=C[C@@](C)(CC)C(C)=O 39068178 171176934 /nfs/dbraw/zinc/17/69/34/171176934.db2.gz YVYIMPBNLVMKGH-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN CCC#C[C@H]1CCCCC1=O 39049883 171176982 /nfs/dbraw/zinc/17/69/82/171176982.db2.gz BPGVMTFAFHATOL-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN Cc1ccc(C#N)c(N[C@H]2C[C@@H]2C)n1 52290814 171177072 /nfs/dbraw/zinc/17/70/72/171177072.db2.gz RYFBPXLUZVPOKS-XVKPBYJWSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1ccc(C#N)c(N[C@@H]2C[C@H]2C)n1 52290816 171177090 /nfs/dbraw/zinc/17/70/90/171177090.db2.gz RYFBPXLUZVPOKS-GMSGAONNSA-N 0 0 187.246 2.082 10 30 AEEERN CCCC#C[C@@H]1CCC(=O)C1 39049859 171177194 /nfs/dbraw/zinc/17/71/94/171177194.db2.gz MPWROUCPHSHXBS-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN Cc1ccc(C#N)c(N[C@H]2C[C@H]2C)n1 52290820 171177219 /nfs/dbraw/zinc/17/72/19/171177219.db2.gz RYFBPXLUZVPOKS-XCBNKYQSSA-N 0 0 187.246 2.082 10 30 AEEERN CC(C)c1ccccc1C#CCO 39104749 171177360 /nfs/dbraw/zinc/17/73/60/171177360.db2.gz VRTQVCJWKOMQHB-UHFFFAOYSA-N 0 0 174.243 2.154 10 30 AEEERN C=C[C@@]1(C)CC[C@@H]1C(C)=O 39068849 171177449 /nfs/dbraw/zinc/17/74/49/171177449.db2.gz NOIXTXNVVHQUTG-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1ncccc1OCC1CCC1 307217880 171178783 /nfs/dbraw/zinc/17/87/83/171178783.db2.gz GDGFWXAMIIJZHP-UHFFFAOYSA-N 0 0 188.230 2.132 10 30 AEEERN CC(=O)CSc1cccc(C#N)c1 307313026 171179075 /nfs/dbraw/zinc/17/90/75/171179075.db2.gz HDHFZROBNILODJ-UHFFFAOYSA-N 0 0 191.255 2.239 10 30 AEEERN CC#Cc1ccc(C(C)=O)cc1 39070687 171179648 /nfs/dbraw/zinc/17/96/48/171179648.db2.gz GSLCOSDAOGGYSK-UHFFFAOYSA-N 0 0 158.200 2.261 10 30 AEEERN COc1ccc2[nH]cc(C#N)c2c1C 83276633 171180594 /nfs/dbraw/zinc/18/05/94/171180594.db2.gz LKGHSUYORRMSHT-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN COc1ccc2[nH]c(C#N)c(C)c2c1 83276627 171180618 /nfs/dbraw/zinc/18/06/18/171180618.db2.gz KXWCTCQIQOVCNC-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN C=C(Cc1ccccc1)C(N)=S 83340318 171180912 /nfs/dbraw/zinc/18/09/12/171180912.db2.gz XDNDQJXCWGUQPU-UHFFFAOYSA-N 0 0 177.272 2.071 10 30 AEEERN C=C(C)[C@@H]1CC=C(C)CC1=O 100206058 171182186 /nfs/dbraw/zinc/18/21/86/171182186.db2.gz JBVPKJLQZCENCU-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C#CCO[C@@]1(C)C=CCCC1 39089141 171182216 /nfs/dbraw/zinc/18/22/16/171182216.db2.gz ZFIMJGSRBFFTHM-JTQLQIEISA-N 0 0 150.221 2.135 10 30 AEEERN C/C=C/C(=N\CCC)OC 222044181 171182789 /nfs/dbraw/zinc/18/27/89/171182789.db2.gz ZVOXMNJVGYVKJL-ICNYKPIKSA-N 0 0 141.214 2.017 10 30 AEEERN C=C(C)[C@@H](CC)C(C)=O 100217575 171183128 /nfs/dbraw/zinc/18/31/28/171183128.db2.gz NHFNILMDSHRIOQ-MRVPVSSYSA-N 0 0 126.199 2.178 10 30 AEEERN CC#C[C@H]1NCCc2cccc(F)c21 83729758 171183498 /nfs/dbraw/zinc/18/34/98/171183498.db2.gz CJEVYBMTKVWSNK-LLVKDONJSA-N 0 0 189.233 2.036 10 30 AEEERN CC#C[C@@H]1NCCc2cccc(F)c21 83729761 171183639 /nfs/dbraw/zinc/18/36/39/171183639.db2.gz CJEVYBMTKVWSNK-NSHDSACASA-N 0 0 189.233 2.036 10 30 AEEERN N#CCC[NH2+][C@H]1C[C@@H]1c1ccccc1 34142065 171184274 /nfs/dbraw/zinc/18/42/74/171184274.db2.gz PADWKJMGNSNONV-NEPJUHHUSA-N 0 0 186.258 2.046 10 30 AEEERN CC/C=C/C=C\C(C)=O 33950833 171184407 /nfs/dbraw/zinc/18/44/07/171184407.db2.gz LWRKMRFJEUFXIB-DEQVHDEQSA-N 0 0 124.183 2.098 10 30 AEEERN N#CCC[NH2+][C@H]1C[C@H]1c1ccccc1 34142064 171184451 /nfs/dbraw/zinc/18/44/51/171184451.db2.gz PADWKJMGNSNONV-RYUDHWBXSA-N 0 0 186.258 2.046 10 30 AEEERN N#CCC[NH2+][C@@H]1C[C@@H]1c1ccccc1 34142066 171184553 /nfs/dbraw/zinc/18/45/53/171184553.db2.gz PADWKJMGNSNONV-VXGBXAGGSA-N 0 0 186.258 2.046 10 30 AEEERN N#Cc1ccccc1CN1CC=CCC1 59406319 171185021 /nfs/dbraw/zinc/18/50/21/171185021.db2.gz CESLMKJPHDTKHL-UHFFFAOYSA-N 0 0 198.269 2.320 10 30 AEEERN c1ccc(CCCOC[C@H]2CO2)cc1 34592720 171185038 /nfs/dbraw/zinc/18/50/38/171185038.db2.gz NLMCUMFLEQFNKR-LBPRGKRZSA-N 0 0 192.258 2.035 10 30 AEEERN N#CCCCc1ccccc1[N+](=O)[O-] 34408449 171185225 /nfs/dbraw/zinc/18/52/25/171185225.db2.gz WTLIFYPMYIVCCH-UHFFFAOYSA-N 0 0 190.202 2.441 10 30 AEEERN c1ccc(CCCOC[C@@H]2CO2)cc1 34592719 171185227 /nfs/dbraw/zinc/18/52/27/171185227.db2.gz NLMCUMFLEQFNKR-GFCCVEGCSA-N 0 0 192.258 2.035 10 30 AEEERN CC#CC[C@@H](O)CCCCC 60069498 171185238 /nfs/dbraw/zinc/18/52/38/171185238.db2.gz AWAIDFQDGYYQAU-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN O=Cc1ccc(C#Cc2ccccc2)o1 34380933 171185247 /nfs/dbraw/zinc/18/52/47/171185247.db2.gz KHLCCDFIHYMOLH-UHFFFAOYSA-N 0 0 196.205 2.492 10 30 AEEERN FC#Cc1cccs1 39048856 171186174 /nfs/dbraw/zinc/18/61/74/171186174.db2.gz NKFKUWDELMGOHX-UHFFFAOYSA-N 0 0 126.155 2.027 10 30 AEEERN Cc1ccccc1OC[C@@H]1C[C@@H]1C=O 238483556 171186399 /nfs/dbraw/zinc/18/63/99/171186399.db2.gz YWOOXGPYMUIUNT-MNOVXSKESA-N 0 0 190.242 2.209 10 30 AEEERN Cc1ccccc1OC[C@H]1C[C@@H]1C=O 238483992 171186626 /nfs/dbraw/zinc/18/66/26/171186626.db2.gz YWOOXGPYMUIUNT-GHMZBOCLSA-N 0 0 190.242 2.209 10 30 AEEERN Cc1ccccc1OC[C@@H]1C[C@H]1C=O 238483650 171186753 /nfs/dbraw/zinc/18/67/53/171186753.db2.gz YWOOXGPYMUIUNT-QWRGUYRKSA-N 0 0 190.242 2.209 10 30 AEEERN Cc1ccccc1OC[C@H]1C[C@H]1C=O 238484065 171186766 /nfs/dbraw/zinc/18/67/66/171186766.db2.gz YWOOXGPYMUIUNT-WDEREUQCSA-N 0 0 190.242 2.209 10 30 AEEERN CC#Cc1ccccc1C(C)=O 39070612 171187778 /nfs/dbraw/zinc/18/77/78/171187778.db2.gz RFCFSNWVVVNBPP-UHFFFAOYSA-N 0 0 158.200 2.261 10 30 AEEERN C=C[C@@H]1O[C@@H]1Cc1ccccc1 39262090 171188611 /nfs/dbraw/zinc/18/86/11/171188611.db2.gz PMYSHMXXQPPIQD-WDEREUQCSA-N 0 0 160.216 2.183 10 30 AEEERN C=C[C@H]1O[C@@H]1Cc1ccccc1 39262088 171188614 /nfs/dbraw/zinc/18/86/14/171188614.db2.gz PMYSHMXXQPPIQD-GHMZBOCLSA-N 0 0 160.216 2.183 10 30 AEEERN C#CCCC[C@H](C)C(C)=O 39068893 171188654 /nfs/dbraw/zinc/18/86/54/171188654.db2.gz LQTUEWFOPNPJER-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN CC#Cc1cc(C)cs1 39049285 171188783 /nfs/dbraw/zinc/18/87/83/171188783.db2.gz AOHOUCHECSVGRM-UHFFFAOYSA-N 0 0 136.219 2.428 10 30 AEEERN CCCC=C=CC(=O)C(F)F 39125442 171188785 /nfs/dbraw/zinc/18/87/85/171188785.db2.gz CDGZCBOPYKCCLD-UHFFFAOYSA-N 0 0 160.163 2.014 10 30 AEEERN C#C[C@@H](C)Nc1ccccc1C 39271013 171188789 /nfs/dbraw/zinc/18/87/89/171188789.db2.gz NRTSXSPAJCPIPU-SNVBAGLBSA-N 0 0 159.232 2.429 10 30 AEEERN C=C(C)[C@@H](C)[C@@]1(C)CCC(=O)O1 104846841 171188861 /nfs/dbraw/zinc/18/88/61/171188861.db2.gz SSFFQJLUDJAFKC-PSASIEDQSA-N 0 0 168.236 2.294 10 30 AEEERN C=C(COC)c1ccccc1 39215643 171188874 /nfs/dbraw/zinc/18/88/74/171188874.db2.gz QYDMUHXQSWPTGT-UHFFFAOYSA-N 0 0 148.205 2.346 10 30 AEEERN CC(=O)CCC#Cc1ccccc1 39416012 171188912 /nfs/dbraw/zinc/18/89/12/171188912.db2.gz PIKFFDHAWAQMQK-UHFFFAOYSA-N 0 0 172.227 2.407 10 30 AEEERN C=C(C)[C@@H](C)[C@]1(C)CCC(=O)O1 104846834 171188926 /nfs/dbraw/zinc/18/89/26/171188926.db2.gz SSFFQJLUDJAFKC-SCZZXKLOSA-N 0 0 168.236 2.294 10 30 AEEERN C#C[C@@H](C)CCCC(C)=O 39068858 171188945 /nfs/dbraw/zinc/18/89/45/171188945.db2.gz LMTRMIJFXKQDDE-MRVPVSSYSA-N 0 0 138.210 2.015 10 30 AEEERN C=C[C@@H]1O[C@@]12CCC[C@@H]2C 39131875 171188959 /nfs/dbraw/zinc/18/89/59/171188959.db2.gz BRKUTCLODQZRKE-XHNCKOQMSA-N 0 0 138.210 2.130 10 30 AEEERN C=C[C@@]1(C)CC[C@H]1C(C)=O 39068848 171188979 /nfs/dbraw/zinc/18/89/79/171188979.db2.gz NOIXTXNVVHQUTG-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H]1O[C@@]12CCC[C@H]2C 39131874 171189008 /nfs/dbraw/zinc/18/90/08/171189008.db2.gz BRKUTCLODQZRKE-HRDYMLBCSA-N 0 0 138.210 2.130 10 30 AEEERN C#C[C@@H](C)Nc1ccc(C)cc1 39204206 171189013 /nfs/dbraw/zinc/18/90/13/171189013.db2.gz XZJOCSBHIZJVAB-SNVBAGLBSA-N 0 0 159.232 2.429 10 30 AEEERN C=C[C@@]1(C)[C@H](C(C)C)N1CC 39103228 171189049 /nfs/dbraw/zinc/18/90/49/171189049.db2.gz DXWFGWLGHKHZSQ-QRHSGQBVSA-N 0 0 153.269 2.291 10 30 AEEERN C#C[C@@H](C)Nc1ccccc1OC 39271015 171189057 /nfs/dbraw/zinc/18/90/57/171189057.db2.gz GMXSKHQQWQSMMC-SECBINFHSA-N 0 0 175.231 2.129 10 30 AEEERN C=CCCC(=O)NC(=O)OC(C)(C)C 39091274 171189061 /nfs/dbraw/zinc/18/90/61/171189061.db2.gz JUDYHDFEGVDYIB-UHFFFAOYSA-N 0 0 199.250 2.004 10 30 AEEERN CC#COc1ccccc1 39261051 171189067 /nfs/dbraw/zinc/18/90/67/171189067.db2.gz LOFXCXMHDNGNRQ-UHFFFAOYSA-N 0 0 132.162 2.046 10 30 AEEERN C/C=C\C#Cc1ccco1 39049027 171189069 /nfs/dbraw/zinc/18/90/69/171189069.db2.gz JHCGDNWIUZRIQT-IHWYPQMZSA-N 0 0 132.162 2.207 10 30 AEEERN C=C(C)CC(=O)C(C)C 39253911 171189076 /nfs/dbraw/zinc/18/90/76/171189076.db2.gz ZWMLMTUXSNQFTC-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(C)C(=C)CC(C)=O 39068136 171189078 /nfs/dbraw/zinc/18/90/78/171189078.db2.gz NLPDRDBESAJILX-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=C[C@H]1O[C@H]1Cc1ccccc1 39262086 171189083 /nfs/dbraw/zinc/18/90/83/171189083.db2.gz PMYSHMXXQPPIQD-MNOVXSKESA-N 0 0 160.216 2.183 10 30 AEEERN C#Cc1cccc2c1COC(C)(C)O2 39119996 171189090 /nfs/dbraw/zinc/18/90/90/171189090.db2.gz DAZDHMQFBJWOFJ-UHFFFAOYSA-N 0 0 188.226 2.313 10 30 AEEERN C=C(C)[C@@H](O)Cc1ccccc1 39258201 171189115 /nfs/dbraw/zinc/18/91/15/171189115.db2.gz LLNIYFUFJFOZDS-NSHDSACASA-N 0 0 162.232 2.166 10 30 AEEERN C=C[C@@](O)(CC)c1ccccc1 39650937 171189401 /nfs/dbraw/zinc/18/94/01/171189401.db2.gz MQIUVIFOUZGOIW-LLVKDONJSA-N 0 0 162.232 2.470 10 30 AEEERN Cc1ccccc1[C@H](C)NCC#N 42237227 171189422 /nfs/dbraw/zinc/18/94/22/171189422.db2.gz ORUXCDBYFLACGN-JTQLQIEISA-N 0 0 174.247 2.169 10 30 AEEERN C=C(C)CNc1ccc2c(c1)OCO2 41571330 171189606 /nfs/dbraw/zinc/18/96/06/171189606.db2.gz NIPBEKVKHBQVPE-UHFFFAOYSA-N 0 0 191.230 2.403 10 30 AEEERN C=C[C@@]1(C)CCC(=O)C(C)(C)O1 32214810 171190220 /nfs/dbraw/zinc/19/02/20/171190220.db2.gz ATQPZCOAQSYTPR-JTQLQIEISA-N 0 0 168.236 2.089 10 30 in-vitro AEEERN N#Cc1ccccc1NC(=O)C1=CCC1 334209422 171190355 /nfs/dbraw/zinc/19/03/55/171190355.db2.gz DEMSJGJODJFCIH-UHFFFAOYSA-N 0 0 198.225 2.217 10 30 AEEERN N#Cc1ccc2sc(CO)cc2c1 34091272 171190900 /nfs/dbraw/zinc/19/09/00/171190900.db2.gz TUQCQABNZRVQEX-UHFFFAOYSA-N 0 0 189.239 2.265 10 30 AEEERN C=CC#CCCO[C@H]1CCCCO1 34589412 171191745 /nfs/dbraw/zinc/19/17/45/171191745.db2.gz TUEPMAMJETWKGV-LLVKDONJSA-N 0 0 180.247 2.109 10 30 AEEERN CC(=O)/C=C/c1ccc([N+](=O)[O-])s1 34450588 171192137 /nfs/dbraw/zinc/19/21/37/171192137.db2.gz CPESSTAEWMJABV-NSCUHMNNSA-N 0 0 197.215 2.259 10 30 AEEERN Cc1ccccc1SC[C@@H]1CO1 37665819 171192310 /nfs/dbraw/zinc/19/23/10/171192310.db2.gz IYBPVVJLAMZRLN-VIFPVBQESA-N 0 0 180.272 2.486 10 30 AEEERN Cc1ccccc1SC[C@H]1CO1 37665820 171192837 /nfs/dbraw/zinc/19/28/37/171192837.db2.gz IYBPVVJLAMZRLN-SECBINFHSA-N 0 0 180.272 2.486 10 30 AEEERN CC#CCOc1ccccc1C(C)=O 51663838 171192987 /nfs/dbraw/zinc/19/29/87/171192987.db2.gz AFYCKKZYKCPEMW-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN CC#CCC(=O)C(C)(C)C 51664586 171193101 /nfs/dbraw/zinc/19/31/01/171193101.db2.gz UBGWYWPEERDQQW-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CC#CCSc1ccccc1N 51663922 171193125 /nfs/dbraw/zinc/19/31/25/171193125.db2.gz FVPYCVJHUOWXDG-UHFFFAOYSA-N 0 0 177.272 2.384 10 30 AEEERN CC#CC[C@@H](O)c1ccc(F)c(F)c1 51664728 171193180 /nfs/dbraw/zinc/19/31/80/171193180.db2.gz ZIPJIWFJBNMEBI-LLVKDONJSA-N 0 0 196.196 2.412 10 30 AEEERN CC#CC[C@@H](O)Cc1ccccc1C 51664860 171193188 /nfs/dbraw/zinc/19/31/88/171193188.db2.gz XJPJTVLISRXIIV-CYBMUJFWSA-N 0 0 188.270 2.312 10 30 AEEERN CC#CCC(=O)Cc1ccccc1F 51664612 171193195 /nfs/dbraw/zinc/19/31/95/171193195.db2.gz WAQHYAMMCNQCIT-UHFFFAOYSA-N 0 0 190.217 2.351 10 30 AEEERN CC#CCSc1sc(N)nc1C 51663924 171193313 /nfs/dbraw/zinc/19/33/13/171193313.db2.gz IWZWCDMFKBVLMQ-UHFFFAOYSA-N 0 0 198.316 2.149 10 30 AEEERN CC#CCOc1cccc(O)c1C 51664228 171193317 /nfs/dbraw/zinc/19/33/17/171193317.db2.gz IRGWKPGAHIYWOT-UHFFFAOYSA-N 0 0 176.215 2.103 10 30 AEEERN CC#CC[C@@H](O)Cc1cccc(C)c1 51664867 171193344 /nfs/dbraw/zinc/19/33/44/171193344.db2.gz VQISNYKGLFNVEB-CYBMUJFWSA-N 0 0 188.270 2.312 10 30 AEEERN CC#CCNc1cccc(COC)c1 51663553 171193413 /nfs/dbraw/zinc/19/34/13/171193413.db2.gz OJHJYPKRBDUVSD-UHFFFAOYSA-N 0 0 189.258 2.268 10 30 AEEERN CC#CC[C@@H](O)Cc1ccccc1 51664706 171193458 /nfs/dbraw/zinc/19/34/58/171193458.db2.gz CMVXAIBJYBZGTB-GFCCVEGCSA-N 0 0 174.243 2.003 10 30 AEEERN CC#CC[C@@H](O)Cc1ccccc1F 51664843 171193464 /nfs/dbraw/zinc/19/34/64/171193464.db2.gz HJRCNCZLSJSDRS-LLVKDONJSA-N 0 0 192.233 2.143 10 30 AEEERN CC#CCSc1ccc(N)cc1 51663935 171193473 /nfs/dbraw/zinc/19/34/73/171193473.db2.gz ZXJHBWHRFQPVMW-UHFFFAOYSA-N 0 0 177.272 2.384 10 30 AEEERN CC#CC[C@@H](O)c1ccc(F)cc1 51664673 171193590 /nfs/dbraw/zinc/19/35/90/171193590.db2.gz WCUXTXJSKSGKRV-LLVKDONJSA-N 0 0 178.206 2.273 10 30 AEEERN CC#CCC(=O)C1CCCC1 51664594 171193733 /nfs/dbraw/zinc/19/37/33/171193733.db2.gz IFCJUGACTINWOU-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CC#CC[C@@H](O)c1cccs1 51664684 171193739 /nfs/dbraw/zinc/19/37/39/171193739.db2.gz SJFHPMUNQXRJKW-MRVPVSSYSA-N 0 0 166.245 2.195 10 30 AEEERN CC#CCC(=O)Cc1ccc(F)cc1 51664553 171193757 /nfs/dbraw/zinc/19/37/57/171193757.db2.gz QWVULJYWHHRBSF-UHFFFAOYSA-N 0 0 190.217 2.351 10 30 AEEERN CC#CCNc1ccc(F)cc1 51662983 171193767 /nfs/dbraw/zinc/19/37/67/171193767.db2.gz ATJJJHUXLIKKBD-UHFFFAOYSA-N 0 0 163.195 2.261 10 30 AEEERN CC#CC[C@@H](O)C1CCCCC1 51664781 171193809 /nfs/dbraw/zinc/19/38/09/171193809.db2.gz UTVGCGWJIRKLMH-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@@H](O)Cc1ccc(F)cc1 51664745 171193854 /nfs/dbraw/zinc/19/38/54/171193854.db2.gz YNKAXVTZLJWKFK-GFCCVEGCSA-N 0 0 192.233 2.143 10 30 AEEERN CC#CC[C@@H]1C[C@H](C)CC[C@@H]1O 51666241 171193882 /nfs/dbraw/zinc/19/38/82/171193882.db2.gz NDYNXCJGTYLCNQ-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN CC#CCOc1cccc([C@H](C)O)c1 51664058 171193900 /nfs/dbraw/zinc/19/39/00/171193900.db2.gz IWMCPCXCGOSORR-JTQLQIEISA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@@H]1Cc2ccccc2[C@H]1O 51666222 171193926 /nfs/dbraw/zinc/19/39/26/171193926.db2.gz FGIBEBUMFPDFCP-YPMHNXCESA-N 0 0 186.254 2.306 10 30 AEEERN CC#CC[C@@H]1CCCCC[C@H]1O 51666215 171193946 /nfs/dbraw/zinc/19/39/46/171193946.db2.gz XDUCXSBJFBHVGP-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC(=O)CC(C)C 51664559 171194058 /nfs/dbraw/zinc/19/40/58/171194058.db2.gz MYYBBMWTKHWZEE-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CC#CCOc1cccc([C@@H](C)O)c1 51664056 171194075 /nfs/dbraw/zinc/19/40/75/171194075.db2.gz IWMCPCXCGOSORR-SNVBAGLBSA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@@H](O)c1cccc(C)c1 51664774 171194086 /nfs/dbraw/zinc/19/40/86/171194086.db2.gz OHNGOKXXCZSWRF-GFCCVEGCSA-N 0 0 174.243 2.442 10 30 AEEERN CC#CC[C@@H](O)CCC(C)C 51664850 171194109 /nfs/dbraw/zinc/19/41/09/171194109.db2.gz IUNLCLPPIJYRNR-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN CC#CC[C@@H](O)c1cccc(F)c1 51664677 171194125 /nfs/dbraw/zinc/19/41/25/171194125.db2.gz KHNGTTVAKQZSSC-LLVKDONJSA-N 0 0 178.206 2.273 10 30 AEEERN CC#CCOc1ccccc1[C@H](C)O 51664051 171194145 /nfs/dbraw/zinc/19/41/45/171194145.db2.gz DARDUYQEWMXMEP-JTQLQIEISA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@@H]1C[C@@H](C)CCC1=O 51664277 171194203 /nfs/dbraw/zinc/19/42/03/171194203.db2.gz KMRDUUAWJNLXOB-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CC[C@@H](O)Cc1ccc(C)cc1 51752724 171194392 /nfs/dbraw/zinc/19/43/92/171194392.db2.gz JNNUVESBQLQUNY-CYBMUJFWSA-N 0 0 188.270 2.312 10 30 AEEERN CC#CCOc1ccccc1[C@@H](C)O 51664049 171194434 /nfs/dbraw/zinc/19/44/34/171194434.db2.gz DARDUYQEWMXMEP-SNVBAGLBSA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@@H]1C[C@H](C)CCC1=O 51664274 171194551 /nfs/dbraw/zinc/19/45/51/171194551.db2.gz KMRDUUAWJNLXOB-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C#Cc1cccc([C@H](N)C(F)(F)F)c1 72191396 171195011 /nfs/dbraw/zinc/19/50/11/171195011.db2.gz PQXIAWKQHAACJE-VIFPVBQESA-N 0 0 199.175 2.230 10 30 AEEERN C=C(C)[C@@H](C)N(O)c1ccccn1 73170046 171195333 /nfs/dbraw/zinc/19/53/33/171195333.db2.gz IIHSAYYKXRYHBY-SECBINFHSA-N 0 0 178.235 2.242 10 30 AEEERN C#Cc1cccc([C@@H](N)C(F)(F)F)c1 72191395 171195338 /nfs/dbraw/zinc/19/53/38/171195338.db2.gz PQXIAWKQHAACJE-SECBINFHSA-N 0 0 199.175 2.230 10 30 AEEERN C=CCCC(=O)Nc1ccccc1N 54400777 171195696 /nfs/dbraw/zinc/19/56/96/171195696.db2.gz AUHVYSKKIGLWLH-UHFFFAOYSA-N 0 0 190.246 2.174 10 30 AEEERN O=C1C=C(c2ccc[nH]2)CCC1 77261328 171196212 /nfs/dbraw/zinc/19/62/12/171196212.db2.gz DRXUPBMKQQSFRG-UHFFFAOYSA-N 0 0 161.204 2.151 10 30 AEEERN CC(=O)O[C@@H](C#N)c1ccc(C)cc1 77274439 171196265 /nfs/dbraw/zinc/19/62/65/171196265.db2.gz YDVIXHFUKJCHAV-NSHDSACASA-N 0 0 189.214 2.123 10 30 AEEERN CC(=O)O[C@@H](C#N)c1ccccc1C 77274426 171196409 /nfs/dbraw/zinc/19/64/09/171196409.db2.gz WQONRTRMGGOFCF-NSHDSACASA-N 0 0 189.214 2.123 10 30 AEEERN SCCc1ccc2ncoc2c1 77267727 171196488 /nfs/dbraw/zinc/19/64/88/171196488.db2.gz CSSNREPBPRECRG-UHFFFAOYSA-N 0 0 179.244 2.300 10 30 AEEERN N#CC1(c2ccco2)CCC(=O)CC1 77274417 171196533 /nfs/dbraw/zinc/19/65/33/171196533.db2.gz NIRMYRSXNOKTIM-UHFFFAOYSA-N 0 0 189.214 2.184 10 30 AEEERN O=C1C=C(c2cc[nH]c2)CCC1 77261330 171196566 /nfs/dbraw/zinc/19/65/66/171196566.db2.gz MHLHKQKVONNGNE-UHFFFAOYSA-N 0 0 161.204 2.151 10 30 AEEERN SCCc1ccc2[nH]cnc2c1 77267198 171196590 /nfs/dbraw/zinc/19/65/90/171196590.db2.gz FWKWBTDCTQIVOA-UHFFFAOYSA-N 0 0 178.260 2.035 10 30 AEEERN C#C[C@@H](C)Nc1cccc(C)c1 135065141 171197499 /nfs/dbraw/zinc/19/74/99/171197499.db2.gz CRSMQOODJYRRJD-SNVBAGLBSA-N 0 0 159.232 2.429 10 30 AEEERN CCCC#C[C@]1(O)C=CCCC1 62718159 171197586 /nfs/dbraw/zinc/19/75/86/171197586.db2.gz YVVZTMZXPIZRIQ-NSHDSACASA-N 0 0 164.248 2.261 10 30 AEEERN N#CC1(c2nccs2)CCCC1 62152417 171197607 /nfs/dbraw/zinc/19/76/07/171197607.db2.gz DBMLYKVXNBMGAX-UHFFFAOYSA-N 0 0 178.260 2.478 10 30 AEEERN C#CCCN(C)c1cccc(C#N)c1 61956996 171197669 /nfs/dbraw/zinc/19/76/69/171197669.db2.gz DQHVLESFYLYPOO-UHFFFAOYSA-N 0 0 184.242 2.018 10 30 AEEERN C=C[C@@](C)(C=O)[C@H]1C=CCC1 62715632 171197750 /nfs/dbraw/zinc/19/77/50/171197750.db2.gz XTPOCAGSFJNBFG-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN C#CCCN(C)c1ccc(C#N)cc1 61956354 171197768 /nfs/dbraw/zinc/19/77/68/171197768.db2.gz BDOJRVUQCQWHON-UHFFFAOYSA-N 0 0 184.242 2.018 10 30 AEEERN C=C[C@](C)(C=O)[C@@H]1C=CCC1 62715634 171197785 /nfs/dbraw/zinc/19/77/85/171197785.db2.gz XTPOCAGSFJNBFG-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@](C)(C=O)[C@H]1C=CCC1 62715630 171197803 /nfs/dbraw/zinc/19/78/03/171197803.db2.gz XTPOCAGSFJNBFG-VHSXEESVSA-N 0 0 150.221 2.344 10 30 AEEERN CCCC#C[C@@]1(O)C=CCCC1 62718158 171197853 /nfs/dbraw/zinc/19/78/53/171197853.db2.gz YVVZTMZXPIZRIQ-LLVKDONJSA-N 0 0 164.248 2.261 10 30 AEEERN C=C[C@@](C)(C=O)[C@@H]1C=CCC1 62715636 171197918 /nfs/dbraw/zinc/19/79/18/171197918.db2.gz XTPOCAGSFJNBFG-ZJUUUORDSA-N 0 0 150.221 2.344 10 30 AEEERN N#Cc1ccc2ccc(F)cc2n1 62566668 171198192 /nfs/dbraw/zinc/19/81/92/171198192.db2.gz LPVYMSFGAGXMCN-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN CC#Cc1cccc(C)c1 95923398 171198202 /nfs/dbraw/zinc/19/82/02/171198202.db2.gz NCUOXYWUXZNHAU-UHFFFAOYSA-N 0 0 130.190 2.366 10 30 AEEERN CC#CC[C@@H]([NH3+])c1ccccc1F 62774554 171198211 /nfs/dbraw/zinc/19/82/11/171198211.db2.gz MWNBCVXFWNQGPP-LLVKDONJSA-N 0 0 177.222 2.239 10 30 AEEERN C=C=CC#Cc1ccccc1 95923318 171198222 /nfs/dbraw/zinc/19/82/22/171198222.db2.gz XPYAYXNALNEZPD-UHFFFAOYSA-N 0 0 140.185 2.379 10 30 AEEERN CC#CC[C@@H]([NH3+])c1ccc(F)cc1F 62774238 171198284 /nfs/dbraw/zinc/19/82/84/171198284.db2.gz TUIGBSPBYMTFBB-LLVKDONJSA-N 0 0 195.212 2.378 10 30 AEEERN CC(C)(C)C#CCCCCO 135818779 171198313 /nfs/dbraw/zinc/19/83/13/171198313.db2.gz CJCDBAAMGMCAMD-UHFFFAOYSA-N 0 0 154.253 2.199 10 30 AEEERN C#Cc1ccccc1C(=O)CC 95761591 171198336 /nfs/dbraw/zinc/19/83/36/171198336.db2.gz VALIUHPPCMMNDO-UHFFFAOYSA-N 0 0 158.200 2.261 10 30 AEEERN C/C=C/C(=O)CC(C)C 135840767 171198418 /nfs/dbraw/zinc/19/84/18/171198418.db2.gz VJQKJGLHKJYTQM-SNAWJCMRSA-N 0 0 126.199 2.178 10 30 AEEERN N#Cc1ccc2cc(F)c(F)cc2n1 62567457 171198434 /nfs/dbraw/zinc/19/84/34/171198434.db2.gz LCBHDPHDQNTIQL-UHFFFAOYSA-N 0 0 190.152 2.385 10 30 AEEERN CC#Cc1ccccc1C 95923400 171198470 /nfs/dbraw/zinc/19/84/70/171198470.db2.gz VXKBMXXRLARKSD-UHFFFAOYSA-N 0 0 130.190 2.366 10 30 AEEERN C=C(C)OC(=O)Nc1cccnc1 95627072 171198496 /nfs/dbraw/zinc/19/84/96/171198496.db2.gz KIUFEVDFVZOGOG-UHFFFAOYSA-N 0 0 178.191 2.164 10 30 AEEERN N#Cc1ccc2cc(F)cc(F)c2n1 62567460 171198501 /nfs/dbraw/zinc/19/85/01/171198501.db2.gz JZJLVRBOCOECBZ-UHFFFAOYSA-N 0 0 190.152 2.385 10 30 AEEERN CC#CC[C@H]([NH3+])c1ccc(F)cc1F 62774237 171198553 /nfs/dbraw/zinc/19/85/53/171198553.db2.gz TUIGBSPBYMTFBB-NSHDSACASA-N 0 0 195.212 2.378 10 30 AEEERN CC#CC[C@@H](NOC)c1ccccc1 95725555 171198602 /nfs/dbraw/zinc/19/86/02/171198602.db2.gz IEPTZZOKDQSMAM-GFCCVEGCSA-N 0 0 189.258 2.292 10 30 AEEERN O=C(/C=C/c1ccc[nH]1)C(F)(F)F 96329108 171198865 /nfs/dbraw/zinc/19/88/65/171198865.db2.gz KCGWWXXFOLTKKM-ONEGZZNKSA-N 0 0 189.136 2.159 10 30 AEEERN N#Cc1ccccc1N=N 98089637 171199260 /nfs/dbraw/zinc/19/92/60/171199260.db2.gz YLDRHBUMKLQEQQ-UHFFFAOYSA-N 0 0 131.138 2.221 10 30 AEEERN N#Cc1cccc(-c2ncccn2)c1 96271434 171199267 /nfs/dbraw/zinc/19/92/67/171199267.db2.gz AHTDNEXYTPIDPR-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN C=CC(=O)C=CCCC 98090801 171199358 /nfs/dbraw/zinc/19/93/58/171199358.db2.gz VWYBQOFZVSNDAW-WAYWQWQTSA-N 0 0 124.183 2.098 10 30 AEEERN C#C/C=C/c1ccccc1 96327792 171199423 /nfs/dbraw/zinc/19/94/23/171199423.db2.gz FRSPRPODGOIJPJ-XVNBXDOJSA-N 0 0 128.174 2.333 10 30 AEEERN CCC#CC#Cc1ccccc1 66381596 171199672 /nfs/dbraw/zinc/19/96/72/171199672.db2.gz BRCIUCONXSZSKN-UHFFFAOYSA-N 0 0 154.212 2.452 10 30 biogenic,in-vitro AEEERN N#CCCCNc1ccc(C=O)cc1 66325925 171199753 /nfs/dbraw/zinc/19/97/53/171199753.db2.gz XSPLMJNHBMJJET-UHFFFAOYSA-N 0 0 188.230 2.215 10 30 AEEERN Cc1ccc(C#N)c(N[C@@H]2CC23CC3)n1 335105731 171201638 /nfs/dbraw/zinc/20/16/38/171201638.db2.gz SYXPNGHOHPRCBN-SNVBAGLBSA-N 0 0 199.257 2.226 10 30 AEEERN Cc1ccc(C#N)c(N[C@H]2CC23CC3)n1 335105729 171201936 /nfs/dbraw/zinc/20/19/36/171201936.db2.gz SYXPNGHOHPRCBN-JTQLQIEISA-N 0 0 199.257 2.226 10 30 AEEERN CC(=O)CCC#CC(C)(C)C 166107543 171202357 /nfs/dbraw/zinc/20/23/57/171202357.db2.gz IJDIWCKTGPTLFG-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN CC(=O)C#C/C=C/c1ccccc1 5283370 171204690 /nfs/dbraw/zinc/20/46/90/171204690.db2.gz JTQMLIXRGTWBII-UXBLZVDNSA-N 0 0 170.211 2.292 10 30 AEEERN C=C(C)C#Cc1cc(O)ccc1O 5158145 171204775 /nfs/dbraw/zinc/20/47/75/171204775.db2.gz ZUEGEPDZNAILQJ-UHFFFAOYSA-N 0 0 174.199 2.025 10 30 AEEERN C=C[C@@H]1SC=CCS1 5158016 171205176 /nfs/dbraw/zinc/20/51/76/171205176.db2.gz XUKBDTUPIIADOP-ZCFIWIBFSA-N 0 0 144.264 2.492 10 30 endogenous,in-man AEEERN CCC#CC[C@H]1CCCC1=O 5767932 171205342 /nfs/dbraw/zinc/20/53/42/171205342.db2.gz LEILLIRFSQTRFY-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN CCCC=C=CC(=O)C(F)(F)F 5819849 171205361 /nfs/dbraw/zinc/20/53/61/171205361.db2.gz XAXKYUYIYBKVHR-UHFFFAOYSA-N 0 0 178.153 2.311 10 30 AEEERN CCC#CC[C@@H]1CCCC1=O 5767926 171205477 /nfs/dbraw/zinc/20/54/77/171205477.db2.gz LEILLIRFSQTRFY-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN CC#COC1CCCCC1 104837408 171205858 /nfs/dbraw/zinc/20/58/58/171205858.db2.gz ZZUDRZLLWZKMHZ-UHFFFAOYSA-N 0 0 138.210 2.317 10 30 AEEERN C=CC(=C)[C@@H]1CCCC(=O)C1 104836747 171206001 /nfs/dbraw/zinc/20/60/01/171206001.db2.gz IDVCRDSZESFLBN-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC(=C)[C@H]1CCCC(=O)C1 104836749 171206189 /nfs/dbraw/zinc/20/61/89/171206189.db2.gz IDVCRDSZESFLBN-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CCCC#C[C@@H]1C[C@H]1c1c[nH]cn1 13795247 171206511 /nfs/dbraw/zinc/20/65/11/171206511.db2.gz PSBKOCDAJZKKOH-NXEZZACHSA-N 0 0 174.247 2.317 10 30 AEEERN O[C@@H](C#Cc1ccccc1)c1ccco1 271024 171206542 /nfs/dbraw/zinc/20/65/42/171206542.db2.gz ZZIYWLKSIRVLOU-LBPRGKRZSA-N 0 0 198.221 2.365 10 30 AEEERN CC#Cc1cc(OC)c(C(C)=O)s1 13306674 171206552 /nfs/dbraw/zinc/20/65/52/171206552.db2.gz QDMQORIYFRHVJA-UHFFFAOYSA-N 0 0 194.255 2.331 10 30 AEEERN C=C(C)[C@@H]1CCC(C)=C[C@@H]1O 13524447 171206578 /nfs/dbraw/zinc/20/65/78/171206578.db2.gz OLAKPNFIICOONC-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 in-vitro AEEERN CCCC#CCCc1c[nH]cn1 13795222 171206732 /nfs/dbraw/zinc/20/67/32/171206732.db2.gz UDXIRDIVFQGLKT-UHFFFAOYSA-N 0 0 162.236 2.146 10 30 in-vivo AEEERN C=C(C)[C@@H]1CCC(C)=C[C@H]1O 967530 171206783 /nfs/dbraw/zinc/20/67/83/171206783.db2.gz OLAKPNFIICOONC-VHSXEESVSA-N 0 0 152.237 2.280 10 30 in-vitro AEEERN C=C(C)[C@@H]1CC=C(C)C[C@@H]1O 14588387 171206810 /nfs/dbraw/zinc/20/68/10/171206810.db2.gz ZTDBSRAQWPKHIO-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN C=C(CO)[C@H]1CC=C(C)CC1 14588434 171206889 /nfs/dbraw/zinc/20/68/89/171206889.db2.gz UIMAEYMKYMNCGW-JTQLQIEISA-N 0 0 152.237 2.281 10 30 endogenous,in-man AEEERN C=C(C)[C@@H]1CC=C(C)C[C@H]1O 14588389 171206894 /nfs/dbraw/zinc/20/68/94/171206894.db2.gz ZTDBSRAQWPKHIO-VHSXEESVSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN CCCC#C[C@@H]1C[C@@H]1c1c[nH]cn1 13795241 171206969 /nfs/dbraw/zinc/20/69/69/171206969.db2.gz PSBKOCDAJZKKOH-ZJUUUORDSA-N 0 0 174.247 2.317 10 30 AEEERN CCCC#C[C@H]1C[C@@H]1c1c[nH]cn1 13795244 171206988 /nfs/dbraw/zinc/20/69/88/171206988.db2.gz PSBKOCDAJZKKOH-UWVGGRQHSA-N 0 0 174.247 2.317 10 30 AEEERN CC#CC(C)(C)Cl 1605853 171207245 /nfs/dbraw/zinc/20/72/45/171207245.db2.gz NSISWGKYJIDLAQ-UHFFFAOYSA-N 0 0 116.591 2.027 10 30 AEEERN C=CCCCCF 2040710 171208147 /nfs/dbraw/zinc/20/81/47/171208147.db2.gz WUMVRHNZIRFDQL-UHFFFAOYSA-N 0 0 102.152 2.312 10 30 AEEERN C=C(C)CC(=O)CCC 2015599 171208255 /nfs/dbraw/zinc/20/82/55/171208255.db2.gz BWNKADJLBMAOPX-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN N#Cc1nccn1CC1=CCCCC1 336260300 171209394 /nfs/dbraw/zinc/20/93/94/171209394.db2.gz HGCCEAFONIRKRW-UHFFFAOYSA-N 0 0 187.246 2.255 10 30 AEEERN C#C[C@@H](C)COCc1ccccc1 201476911 171211603 /nfs/dbraw/zinc/21/16/03/171211603.db2.gz MXJQAGCBHJCTTF-LLVKDONJSA-N 0 0 174.243 2.473 10 30 AEEERN C=CCCC/C=C\CN1CCOCC1 31768983 171211962 /nfs/dbraw/zinc/21/19/62/171211962.db2.gz OQVYMPCQZXBCGP-SREVYHEPSA-N 0 0 195.306 2.231 10 30 AEEERN C=C(CNN)c1ccc(Cl)cc1C 21994526 171212007 /nfs/dbraw/zinc/21/20/07/171212007.db2.gz LLQPHVAMPARTEK-UHFFFAOYSA-N 0 0 196.681 2.125 10 30 AEEERN CC(C)C(=O)C#Cc1ccccc1 24626878 171212018 /nfs/dbraw/zinc/21/20/18/171212018.db2.gz AOOHPXMHKBITKB-UHFFFAOYSA-N 0 0 172.227 2.263 10 30 AEEERN C#CCOC(=O)Nc1ccccc1C 26891710 171212031 /nfs/dbraw/zinc/21/20/31/171212031.db2.gz JDAFOIMCVATFIM-UHFFFAOYSA-N 0 0 189.214 2.177 10 30 AEEERN C#CC(=O)CCCCCC 34077481 171212565 /nfs/dbraw/zinc/21/25/65/171212565.db2.gz OQKBMYOIFQSECJ-UHFFFAOYSA-N 0 0 138.210 2.159 10 30 AEEERN C#CC(=O)CC1CCCCC1 34259740 171212681 /nfs/dbraw/zinc/21/26/81/171212681.db2.gz OXYRAYVBFFVDTN-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C=CC#CCCO[C@@H]1CCCCO1 34589410 171212798 /nfs/dbraw/zinc/21/27/98/171212798.db2.gz TUEPMAMJETWKGV-NSHDSACASA-N 0 0 180.247 2.109 10 30 AEEERN N#Cc1nccn1CCC1CCCC1 300717289 171213421 /nfs/dbraw/zinc/21/34/21/171213421.db2.gz OOXFYSMRRPPAFG-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN C=C(C)[C@@H]1C=C[C@@](C)(O)CC1 5158402 171215145 /nfs/dbraw/zinc/21/51/45/171215145.db2.gz MKPMHJQMNACGDI-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN CC1(C)OC(c2ccccc2)=CC1=O 1567425 171215170 /nfs/dbraw/zinc/21/51/70/171215170.db2.gz LTRTYBNTZIFLOT-UHFFFAOYSA-N 0 0 188.226 2.405 10 30 AEEERN CC#CC#CC#Cc1ccccc1 8221120 171215410 /nfs/dbraw/zinc/21/54/10/171215410.db2.gz ACKWHAMNCLDPRO-UHFFFAOYSA-N 0 0 164.207 2.065 10 30 in-vitro AEEERN N#C[C@H](c1ccccc1)c1ncccn1 26440611 171215573 /nfs/dbraw/zinc/21/55/73/171215573.db2.gz XPKXXRCITXHGGJ-LLVKDONJSA-N 0 0 195.225 2.132 10 30 AEEERN N#C[C@@H](c1ccccc1)c1ncccn1 26440608 171215617 /nfs/dbraw/zinc/21/56/17/171215617.db2.gz XPKXXRCITXHGGJ-NSHDSACASA-N 0 0 195.225 2.132 10 30 AEEERN N#CC(C#N)Cc1ccc(F)cc1 26479175 171215638 /nfs/dbraw/zinc/21/56/38/171215638.db2.gz ANDAPMZOAWQQLJ-UHFFFAOYSA-N 0 0 174.178 2.032 10 30 AEEERN C=C[C@@](C)(O)C/C=C\C(=C)C 15120744 171215670 /nfs/dbraw/zinc/21/56/70/171215670.db2.gz ZJIQIJIQBTVTDY-JYESYGNLSA-N 0 0 152.237 2.446 10 30 endogenous,in-man AEEERN N#CCCSCc1ccco1 26479420 171215843 /nfs/dbraw/zinc/21/58/43/171215843.db2.gz AFVJCVOWKFBGLK-UHFFFAOYSA-N 0 0 167.233 2.426 10 30 AEEERN C=C(CO)[C@@H]1CC=C(C)CC1 14588433 171216043 /nfs/dbraw/zinc/21/60/43/171216043.db2.gz UIMAEYMKYMNCGW-SNVBAGLBSA-N 0 0 152.237 2.281 10 30 endogenous,in-man AEEERN CC(C)=CC(=O)c1cc(O)ccc1O 13341359 171216160 /nfs/dbraw/zinc/21/61/60/171216160.db2.gz NGGQWOLOGKVNIW-UHFFFAOYSA-N 0 0 192.214 2.247 10 30 AEEERN C[C@H](S)CC(C)(C)C#N 149185038 344062979 /nfs/dbraw/zinc/06/29/79/344062979.db2.gz AZUIBZQBTJWRNR-LURJTMIESA-N 0 0 143.255 2.245 10 30 AEEERN N#Cc1onc2ccc(Cl)cc12 32501000 171216916 /nfs/dbraw/zinc/21/69/16/171216916.db2.gz KXJDKPLSCMNXGU-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN CC/C=C\C=C/C(C)=O 39068144 171217004 /nfs/dbraw/zinc/21/70/04/171217004.db2.gz LWRKMRFJEUFXIB-RZSVFLSASA-N 0 0 124.183 2.098 10 30 AEEERN CC/C=C\C=C\C(C)=O 33950244 171217067 /nfs/dbraw/zinc/21/70/67/171217067.db2.gz LWRKMRFJEUFXIB-SCFJQAPRSA-N 0 0 124.183 2.098 10 30 AEEERN Cc1ccccc1Cn1cc(C#N)cn1 335568465 171217480 /nfs/dbraw/zinc/21/74/80/171217480.db2.gz OMPIEGQPWXMBFJ-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN N#CCCSCc1ccccn1 39322155 171217951 /nfs/dbraw/zinc/21/79/51/171217951.db2.gz BJGFVYZUEYWBAK-UHFFFAOYSA-N 0 0 178.260 2.228 10 30 AEEERN C/C=C(/CC)C(=O)CC 149190853 344062984 /nfs/dbraw/zinc/06/29/84/344062984.db2.gz QTWVAQLUKIBULR-DAXSKMNVSA-N 0 0 126.199 2.322 10 30 AEEERN C=C[C@@H]1O[C@](C)(CC)O[C@@H]1C 196360546 171218846 /nfs/dbraw/zinc/21/88/46/171218846.db2.gz HSDQMSZSGLXRSJ-HRDYMLBCSA-N 0 0 156.225 2.103 10 30 AEEERN CC#CC#C/C=C/C=C/C=C/CCO 238021725 171218882 /nfs/dbraw/zinc/21/88/82/171218882.db2.gz CNMWTIVSNRLOLQ-OBWVEWQSSA-N 0 0 186.254 2.064 10 30 AEEERN C=C[C@@H]1O[C@@](C)(CC)O[C@@H]1C 196360553 171218889 /nfs/dbraw/zinc/21/88/89/171218889.db2.gz HSDQMSZSGLXRSJ-VGMNWLOBSA-N 0 0 156.225 2.103 10 30 AEEERN C=C[C@@]1(C)CC2=C(CCCC2=O)O1 196430151 171218913 /nfs/dbraw/zinc/21/89/13/171218913.db2.gz KRCGZBYIBARDLC-NSHDSACASA-N 0 0 178.231 2.359 10 30 AEEERN [N-]=[N+]=Nc1ncc(-c2ccccc2)nn1 196411794 171219117 /nfs/dbraw/zinc/21/91/17/171219117.db2.gz VYNWKUGTNUINLC-UHFFFAOYSA-N 0 0 198.189 2.480 10 30 AEEERN CC=Nc1ccc2c[nH]nc2c1 255986978 171219719 /nfs/dbraw/zinc/21/97/19/171219719.db2.gz MBEFFMWAHOJYIV-UHFFFAOYSA-N 0 0 159.192 2.285 10 30 AEEERN CC=Nc1cnc2ccccn12 255989148 171219968 /nfs/dbraw/zinc/21/99/68/171219968.db2.gz MZXMZGOZALCJTF-UHFFFAOYSA-N 0 0 159.192 2.057 10 30 AEEERN CC(C)=CC(=O)C[C@@H]1O[C@@H](C)[C@@H](C)O1 256010412 171220407 /nfs/dbraw/zinc/22/04/07/171220407.db2.gz XBPRXMCEBRMNPD-JZYVYDRUSA-N 0 0 198.262 2.062 10 30 AEEERN CC=Nc1ccccc1 256080688 171220514 /nfs/dbraw/zinc/22/05/14/171220514.db2.gz BHGHXAOHFWSPNE-UHFFFAOYSA-N 0 0 119.167 2.409 10 30 AEEERN C=C[C@H]1SC=CCS1 5157981 171222064 /nfs/dbraw/zinc/22/20/64/171222064.db2.gz XUKBDTUPIIADOP-LURJTMIESA-N 0 0 144.264 2.492 10 30 endogenous,in-man AEEERN CCCc1ncc(CC#N)s1 82415565 171222331 /nfs/dbraw/zinc/22/23/31/171222331.db2.gz MUCYCHIUDCOTLY-UHFFFAOYSA-N 0 0 166.249 2.162 10 30 AEEERN Cc1ccc(C#N)c2cnccc12 82768422 171222441 /nfs/dbraw/zinc/22/24/41/171222441.db2.gz VTJYWEMDVWVRKR-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN N#Cc1ncccc1N[C@H]1C[C@@H]2C[C@@H]2C1 335394561 171222750 /nfs/dbraw/zinc/22/27/50/171222750.db2.gz JCONXUQWFZSNGL-ILWJIGKKSA-N 0 0 199.257 2.164 10 30 AEEERN CC(=O)/C=C/c1cc(N)ccc1C 83255002 171222920 /nfs/dbraw/zinc/22/29/20/171222920.db2.gz ASUGZDKRQVKIQM-SNAWJCMRSA-N 0 0 175.231 2.179 10 30 AEEERN CC(=O)/C=C/c1ccc(F)c(N)c1 83255005 171223071 /nfs/dbraw/zinc/22/30/71/171223071.db2.gz TYAHOMGHUYTTRB-NSCUHMNNSA-N 0 0 179.194 2.010 10 30 AEEERN C=C(Br)Cn1cccc1 84728260 171223175 /nfs/dbraw/zinc/22/31/75/171223175.db2.gz BMRPTFAPLLWIGK-UHFFFAOYSA-N 0 0 186.052 2.397 10 30 AEEERN SCCc1ccc2c(c1)CCCO2 83262807 171223449 /nfs/dbraw/zinc/22/34/49/171223449.db2.gz KEIBRBHOZWBHDW-UHFFFAOYSA-N 0 0 194.299 2.484 10 30 AEEERN CC(=O)/C=C/c1ccc(N)cc1C 83254995 171223462 /nfs/dbraw/zinc/22/34/62/171223462.db2.gz XGFPUXPEOMYYPU-ONEGZZNKSA-N 0 0 175.231 2.179 10 30 AEEERN C/C=C/C#Cc1ccco1 96331791 171224576 /nfs/dbraw/zinc/22/45/76/171224576.db2.gz JHCGDNWIUZRIQT-NSCUHMNNSA-N 0 0 132.162 2.207 10 30 AEEERN CC(=O)/C=C/c1nc2ccccc2[nH]1 95923419 171224765 /nfs/dbraw/zinc/22/47/65/171224765.db2.gz ZUCJARBYUDHJPU-VOTSOKGWSA-N 0 0 186.214 2.165 10 30 AEEERN CC(C)=CC(=O)C1=CCCCO1 90755984 171224795 /nfs/dbraw/zinc/22/47/95/171224795.db2.gz VWHQLKYPXYFKOM-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN N#Cc1nc2c(Cl)cccc2[nH]1 95922855 171224823 /nfs/dbraw/zinc/22/48/23/171224823.db2.gz YOMOXWWPTQKERA-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN O=C1C=C(c2ccco2)CC1 32005602 171225331 /nfs/dbraw/zinc/22/53/31/171225331.db2.gz NINLKAIAXJWUAJ-UHFFFAOYSA-N 0 0 148.161 2.026 10 30 AEEERN CN1CCC/C1=C\C(=O)c1ccco1 105418992 171225589 /nfs/dbraw/zinc/22/55/89/171225589.db2.gz OVSHUBIGPLREMX-CMDGGOBGSA-N 0 0 191.230 2.072 10 30 AEEERN N#CC(C#N)c1nc2ccccc2s1 32302143 171225644 /nfs/dbraw/zinc/22/56/44/171225644.db2.gz RVYWWJOEZJAICQ-UHFFFAOYSA-N 0 0 199.238 2.427 10 30 AEEERN CC(C)=CC(=O)CC1O[C@@H](C)[C@H](C)O1 33825660 171226112 /nfs/dbraw/zinc/22/61/12/171226112.db2.gz XBPRXMCEBRMNPD-IUCAKERBSA-N 0 0 198.262 2.062 10 30 AEEERN CC(C)=CC(=O)CC1O[C@H](C)[C@@H](C)O1 33825661 171226460 /nfs/dbraw/zinc/22/64/60/171226460.db2.gz XBPRXMCEBRMNPD-RKDXNWHRSA-N 0 0 198.262 2.062 10 30 AEEERN C=C[C@H]1O[C@@H]1c1ccccc1 36466206 171226669 /nfs/dbraw/zinc/22/66/69/171226669.db2.gz JREKMQNEGCRTPI-NXEZZACHSA-N 0 0 146.189 2.313 10 30 AEEERN C=Cc1ccccc1COC[C@H]1CO1 36372528 171226735 /nfs/dbraw/zinc/22/67/35/171226735.db2.gz JFWFAUHHNYTWOO-LBPRGKRZSA-N 0 0 190.242 2.245 10 30 AEEERN CN(C)/C=C\C(=O)C1CCCCC1 149578786 344068125 /nfs/dbraw/zinc/06/81/25/344068125.db2.gz PPDVDNFZPYRBJB-HJWRWDBZSA-N 0 0 181.279 2.211 10 30 AEEERN C=C[C@@H]1O[C@H]1Cc1ccccc1 35904558 171213546 /nfs/dbraw/zinc/21/35/46/171213546.db2.gz PMYSHMXXQPPIQD-QWRGUYRKSA-N 0 0 160.216 2.183 10 30 AEEERN C[Si](C)(C)C#Cc1cncc(F)c1 211518042 171213571 /nfs/dbraw/zinc/21/35/71/171213571.db2.gz YLPHXFCHWDGOOT-UHFFFAOYSA-N 0 0 193.297 2.450 10 30 AEEERN CC(=O)O/N=C(\C)c1ccc(C)cc1 149906911 344073131 /nfs/dbraw/zinc/07/31/31/344073131.db2.gz WIWZHZFFEKTANC-FMIVXFBMSA-N 0 0 191.230 2.282 10 30 AEEERN CC1(C)CCC[C@@H](NCC#N)C1 149933850 344073755 /nfs/dbraw/zinc/07/37/55/344073755.db2.gz KZHNJNPEXAFOQX-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN CC1(C)CCC[C@H](NCC#N)C1 149933631 344073757 /nfs/dbraw/zinc/07/37/57/344073757.db2.gz KZHNJNPEXAFOQX-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN C=CC[C@@H](CCC)OC(=O)C=C 149955536 344074291 /nfs/dbraw/zinc/07/42/91/344074291.db2.gz MLLVVWXHMUQXOM-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C#CCCC(=O)c1cc(F)ccc1N 150027535 344075614 /nfs/dbraw/zinc/07/56/14/344075614.db2.gz XSKBMBBCGZXVOK-UHFFFAOYSA-N 0 0 191.205 2.004 10 30 AEEERN CC(C)Oc1ccnc(N=[N+]=[N-])n1 156924968 344097670 /nfs/dbraw/zinc/09/76/70/344097670.db2.gz XRINRWUIVPDVJZ-UHFFFAOYSA-N 0 0 179.183 2.206 10 30 AEEERN C=C(C)CC(=O)C(F)(F)Cl 156636912 344092861 /nfs/dbraw/zinc/09/28/61/344092861.db2.gz ZHQXVQMYRNPEOC-UHFFFAOYSA-N 0 0 168.570 2.353 10 30 AEEERN CC(=O)C=C(C)c1nccs1 157309092 344103288 /nfs/dbraw/zinc/10/32/88/344103288.db2.gz TWJODXQPURZVJP-WAYWQWQTSA-N 0 0 167.233 2.135 10 30 AEEERN C=CCCc1cncs1 157064741 344100027 /nfs/dbraw/zinc/10/00/27/344100027.db2.gz WPUUNBBLGINNPJ-UHFFFAOYSA-N 0 0 139.223 2.262 10 30 AEEERN Cc1cccc(C=O)c1O[C@@H](C)C#N 159173455 344140278 /nfs/dbraw/zinc/14/02/78/344140278.db2.gz YNCABYQTPMHTSS-VIFPVBQESA-N 0 0 189.214 2.098 10 30 AEEERN C[C@@]1(Cc2cccc(F)c2)CO1 159276398 344141347 /nfs/dbraw/zinc/14/13/47/344141347.db2.gz LQNWKDMYPCIWQI-SNVBAGLBSA-N 0 0 166.195 2.157 10 30 AEEERN C#CC[C@@](C)(O)C1CCCCC1 159332689 344142610 /nfs/dbraw/zinc/14/26/10/344142610.db2.gz KYHJQJLTILAPBP-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC1(C)CCC[C@](O)(CC=O)CC1 159392209 344143404 /nfs/dbraw/zinc/14/34/04/344143404.db2.gz MPDJWZSBXFYOPE-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN C#CC(=O)C1(OC)CCC(C)(C)CC1 159456463 344145078 /nfs/dbraw/zinc/14/50/78/344145078.db2.gz XRPCSXZUFPZYFN-UHFFFAOYSA-N 0 0 194.274 2.174 10 30 AEEERN C#Cc1csc(NC(C)(C)C)n1 159695960 344150252 /nfs/dbraw/zinc/15/02/52/344150252.db2.gz KUNMRMCWMUWHEV-UHFFFAOYSA-N 0 0 180.276 2.335 10 30 AEEERN Cc1cccc(C=O)c1O[C@H](C)C#N 159173597 344140080 /nfs/dbraw/zinc/14/00/80/344140080.db2.gz YNCABYQTPMHTSS-SECBINFHSA-N 0 0 189.214 2.098 10 30 AEEERN C#CCC[C@@]1(C)CCC(=O)C1 159956394 344155497 /nfs/dbraw/zinc/15/54/97/344155497.db2.gz TYYKEBRZPKHYGN-JTQLQIEISA-N 0 0 150.221 2.159 10 30 AEEERN CC1=CCN(c2cccc(C#N)n2)CC1 159975478 344155938 /nfs/dbraw/zinc/15/59/38/344155938.db2.gz FQDRUBYAONXPLR-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C#C[C@@H](C)Nc1ncc(Cl)cc1F 160058589 344157685 /nfs/dbraw/zinc/15/76/85/344157685.db2.gz QWSALRCTCJQPJK-ZCFIWIBFSA-N 0 0 198.628 2.308 10 30 AEEERN C#CCCC(=O)c1ccncc1Cl 160137839 344158731 /nfs/dbraw/zinc/15/87/31/344158731.db2.gz JGESXXHYXIWEKX-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN C#CCCC(=O)[C@]1(C)CCCS1 160116625 344158738 /nfs/dbraw/zinc/15/87/38/344158738.db2.gz WTKAJGHUROCJCF-JTQLQIEISA-N 0 0 182.288 2.255 10 30 AEEERN C#CCCC(=O)c1csc(C)n1 160129460 344158759 /nfs/dbraw/zinc/15/87/59/344158759.db2.gz SQBGOMKICVHMJB-UHFFFAOYSA-N 0 0 179.244 2.048 10 30 AEEERN C#CCCC(=O)c1scnc1C 160135213 344158766 /nfs/dbraw/zinc/15/87/66/344158766.db2.gz HVTJXEZBEWMTHV-UHFFFAOYSA-N 0 0 179.244 2.048 10 30 AEEERN C=CCC1=COCCC1 160168012 344159183 /nfs/dbraw/zinc/15/91/83/344159183.db2.gz DYGGVMJTWVRXSH-UHFFFAOYSA-N 0 0 124.183 2.257 10 30 AEEERN O=C1C=C(N2CCCCCC2)CC1 160192606 344159704 /nfs/dbraw/zinc/15/97/04/344159704.db2.gz VVGMZNBKLHRBHL-UHFFFAOYSA-N 0 0 179.263 2.109 10 30 AEEERN CC[C@H]1CCCN1C1=CC(=O)CC1 160208633 344160225 /nfs/dbraw/zinc/16/02/25/344160225.db2.gz VRGMMCXRHLWKMA-VIFPVBQESA-N 0 0 179.263 2.108 10 30 AEEERN CC(=O)/C=C1/CCO[C@H](C(C)C)C1 160489129 344167509 /nfs/dbraw/zinc/16/75/09/344167509.db2.gz QVDOZYXPQZJKPU-YAEJEKNGSA-N 0 0 182.263 2.337 10 30 AEEERN COCc1ccc(C#N)cc1C 160514487 344168202 /nfs/dbraw/zinc/16/82/02/344168202.db2.gz VIFIVUGGBHYEOR-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN C=C(C)[C@H](O)CC1CCSCC1 160872707 344179271 /nfs/dbraw/zinc/17/92/71/344179271.db2.gz HJIKVXJZOCVJIR-SNVBAGLBSA-N 0 0 186.320 2.457 10 30 AEEERN COc1ccccc1[C@]1(C#N)C[C@@H]1C 160871696 344179489 /nfs/dbraw/zinc/17/94/89/344179489.db2.gz JSNNVXVDUFVWFU-CABZTGNLSA-N 0 0 187.242 2.496 10 30 AEEERN C=C(C)[C@@H](O)c1snnc1C(C)C 160888273 344179830 /nfs/dbraw/zinc/17/98/30/344179830.db2.gz PXGOUJKZGYKXCZ-MRVPVSSYSA-N 0 0 198.291 2.271 10 30 AEEERN CC[C@@H]1C[C@@]1(C#N)c1ccccn1 160904107 344180264 /nfs/dbraw/zinc/18/02/64/344180264.db2.gz NKAORVMGUCOXEK-KOLCDFICSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@@H]1C[C@@]1(C#N)c1cccnc1 160905110 344180318 /nfs/dbraw/zinc/18/03/18/344180318.db2.gz RBLVAWMJGCHICH-KOLCDFICSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@H]1C[C@]1(C#N)c1ccccn1 160904491 344180320 /nfs/dbraw/zinc/18/03/20/344180320.db2.gz NKAORVMGUCOXEK-GXSJLCMTSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@@H]1C[C@]1(C#N)c1ccccn1 160904352 344180331 /nfs/dbraw/zinc/18/03/31/344180331.db2.gz NKAORVMGUCOXEK-MWLCHTKSSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@H]1C[C@]1(C#N)c1cccnc1 160905513 344180333 /nfs/dbraw/zinc/18/03/33/344180333.db2.gz RBLVAWMJGCHICH-GXSJLCMTSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@H]1C[C@@]1(C#N)c1cccnc1 160905241 344180335 /nfs/dbraw/zinc/18/03/35/344180335.db2.gz RBLVAWMJGCHICH-ONGXEEELSA-N 0 0 172.231 2.273 10 30 AEEERN CC#CCC[C@H](O)c1cc(C)ccn1 160987830 344182133 /nfs/dbraw/zinc/18/21/33/344182133.db2.gz DDPOQDOROWIAMW-LBPRGKRZSA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCC[C@H](O)c1cccc(C)n1 160986835 344182138 /nfs/dbraw/zinc/18/21/38/344182138.db2.gz UOTUMCGNWZTZKB-LBPRGKRZSA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCC[C@@H]([NH3+])c1ccoc1 161129835 344185495 /nfs/dbraw/zinc/18/54/95/344185495.db2.gz KGZXVZLZGDWPSY-SNVBAGLBSA-N 0 0 163.220 2.083 10 30 AEEERN C#C[C@@H](O)c1cc(F)cc(Cl)c1 161190506 344186806 /nfs/dbraw/zinc/18/68/06/344186806.db2.gz HZBMQPHMADEIRW-SECBINFHSA-N 0 0 184.597 2.146 10 30 AEEERN Cc1cc(F)ccc1C#CC#N 161213647 344187281 /nfs/dbraw/zinc/18/72/81/344187281.db2.gz FBJDNVZUWBQKAB-UHFFFAOYSA-N 0 0 159.163 2.009 10 30 AEEERN Cc1ccc(F)c(C#CC#N)c1F 161216604 344187285 /nfs/dbraw/zinc/18/72/85/344187285.db2.gz HTDZNSZFCYLVCH-UHFFFAOYSA-N 0 0 177.153 2.148 10 30 AEEERN Cc1ccc(C#CC#N)cc1C 161208685 344187289 /nfs/dbraw/zinc/18/72/89/344187289.db2.gz MIHKXIVBHLHALZ-UHFFFAOYSA-N 0 0 155.200 2.179 10 30 AEEERN Cc1ccc(F)cc1C#CC#N 161215659 344187292 /nfs/dbraw/zinc/18/72/92/344187292.db2.gz XLWCESMBXRZTHP-UHFFFAOYSA-N 0 0 159.163 2.009 10 30 AEEERN N#CC#Cc1sccc1Cl 161222514 344187295 /nfs/dbraw/zinc/18/72/95/344187295.db2.gz HGVGLOUEMHNKCP-UHFFFAOYSA-N 0 0 167.620 2.277 10 30 AEEERN N#CC#Cc1ccc(F)c(Cl)c1 161216462 344187297 /nfs/dbraw/zinc/18/72/97/344187297.db2.gz GJJRQULKKVAGSG-UHFFFAOYSA-N 0 0 179.581 2.354 10 30 AEEERN N#CC#Cc1ccc(Cl)cc1F 161214193 344187298 /nfs/dbraw/zinc/18/72/98/344187298.db2.gz VALPNPKPMZNDDF-UHFFFAOYSA-N 0 0 179.581 2.354 10 30 AEEERN N#CC#Cc1coc2ccccc12 161212541 344187299 /nfs/dbraw/zinc/18/72/99/344187299.db2.gz SNAOIDNIAKQDSN-UHFFFAOYSA-N 0 0 167.167 2.308 10 30 AEEERN CC#CCC[C@H](O)[C@H]1CCCS1 161031816 344183907 /nfs/dbraw/zinc/18/39/07/344183907.db2.gz WHSAIPAVDNLDOE-VHSXEESVSA-N 0 0 184.304 2.046 10 30 AEEERN C=C(C)CC(=O)[C@H]1CCSC1 161048560 344183917 /nfs/dbraw/zinc/18/39/17/344183917.db2.gz NAULJJSCSVFYET-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN CC#CCC[C@H](O)[C@@]1(C)CCCCO1 161033108 344183945 /nfs/dbraw/zinc/18/39/45/344183945.db2.gz LSTLOWDNVLWEQA-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCSC1 161080321 344184611 /nfs/dbraw/zinc/18/46/11/344184611.db2.gz SGUFHJHWBDMBKK-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCSC1 161080443 344184618 /nfs/dbraw/zinc/18/46/18/344184618.db2.gz SGUFHJHWBDMBKK-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN C#CCCCN1CCc2ccccc21 161085995 344184619 /nfs/dbraw/zinc/18/46/19/344184619.db2.gz CLKBGUWLVFXYLS-UHFFFAOYSA-N 0 0 185.270 2.463 10 30 AEEERN N#CC1(N)CCC2(CCCC2)CC1 161376586 344190414 /nfs/dbraw/zinc/19/04/14/344190414.db2.gz CROILHQFJIZTQT-UHFFFAOYSA-N 0 0 178.279 2.342 10 30 AEEERN C1CCC2(C1)CC[C@H]1O[C@H]1C2 161378390 344190443 /nfs/dbraw/zinc/19/04/43/344190443.db2.gz XOQDMEREUJIBOM-BDAKNGLRSA-N 0 0 152.237 2.498 10 30 AEEERN Cc1cc(C)cc(C#CC#N)c1 161220295 344187307 /nfs/dbraw/zinc/18/73/07/344187307.db2.gz UIZHGCYMKUFHJM-UHFFFAOYSA-N 0 0 155.200 2.179 10 30 AEEERN N#CC#Cc1c(F)cccc1Cl 161217280 344187311 /nfs/dbraw/zinc/18/73/11/344187311.db2.gz QQTXIDFNZYYMPW-UHFFFAOYSA-N 0 0 179.581 2.354 10 30 AEEERN C#CC[C@@H](O)C1CCC(F)(F)CC1 162194331 344204969 /nfs/dbraw/zinc/20/49/69/344204969.db2.gz HBGSACTUSBQTFK-SECBINFHSA-N 0 0 188.217 2.196 10 30 AEEERN O=C(C1=COCCC1)[C@H]1CCSC1 161909274 344200480 /nfs/dbraw/zinc/20/04/80/344200480.db2.gz HMVJJTKWASLMMF-VIFPVBQESA-N 0 0 198.287 2.003 10 30 AEEERN CO[C@](C)(C#N)Cc1ccccc1F 162725393 344212769 /nfs/dbraw/zinc/21/27/69/344212769.db2.gz LCWNNPIIYZOALO-NSHDSACASA-N 0 0 193.221 2.297 10 30 AEEERN C=C(C)CN(C)C(=O)OC(C)(C)C 163105339 344219384 /nfs/dbraw/zinc/21/93/84/344219384.db2.gz BLPLYDSYSADEDL-UHFFFAOYSA-N 0 0 185.267 2.429 10 30 AEEERN C#CCCC[C@@]1(O)CS[C@H](C)C1 163269489 344221482 /nfs/dbraw/zinc/22/14/82/344221482.db2.gz IOWSXRVFOYPBPJ-ZJUUUORDSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCOc1cc(Cl)ccc1C=O 163061756 344218829 /nfs/dbraw/zinc/21/88/29/344218829.db2.gz XLWIRUQZEHEFAQ-UHFFFAOYSA-N 0 0 194.617 2.165 10 30 AEEERN CCOCc1cc(F)cc(C#N)c1 163698192 344226783 /nfs/dbraw/zinc/22/67/83/344226783.db2.gz NAKGJDOCHCAPKW-UHFFFAOYSA-N 0 0 179.194 2.234 10 30 AEEERN C#CCCC[C@H]1CCC[C@H](O)C1 163686356 344226888 /nfs/dbraw/zinc/22/68/88/344226888.db2.gz LBPILPGURFOTLU-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC=C=CC(=O)c1occc1C 163859926 344231831 /nfs/dbraw/zinc/23/18/31/344231831.db2.gz UYZDBSRARXHRSF-UHFFFAOYSA-N 0 0 162.188 2.184 10 30 AEEERN Cc1ccoc1C(=O)C1=COCCC1 163873594 344231847 /nfs/dbraw/zinc/23/18/47/344231847.db2.gz VNKKKVMHIJFTKJ-UHFFFAOYSA-N 0 0 192.214 2.465 10 30 AEEERN CC=CC(=O)c1occc1C 163858909 344231857 /nfs/dbraw/zinc/23/18/57/344231857.db2.gz AUEKPQFEAXYBNC-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN C#CCCC(=O)c1occc1C 163863357 344231861 /nfs/dbraw/zinc/23/18/61/344231861.db2.gz UYUYXWQDMOIRIS-UHFFFAOYSA-N 0 0 162.188 2.184 10 30 AEEERN CC#CC[C@@H](O)c1occc1C 163879505 344232246 /nfs/dbraw/zinc/23/22/46/344232246.db2.gz WUJPGKMKIPKVBJ-SECBINFHSA-N 0 0 164.204 2.035 10 30 AEEERN C#C[C@@](O)(CC)c1cccc(F)c1 164109086 344236950 /nfs/dbraw/zinc/23/69/50/344236950.db2.gz WUMXPZDQMIYVJJ-LLVKDONJSA-N 0 0 178.206 2.057 10 30 AEEERN C[C@H](C=O)CC1CCC1 164101369 344237043 /nfs/dbraw/zinc/23/70/43/344237043.db2.gz HRNAUPHLMBJIKS-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN C=C(Cl)CNc1nc(C)cnc1C 164873127 344253684 /nfs/dbraw/zinc/25/36/84/344253684.db2.gz YLIANNMTAMTBPL-UHFFFAOYSA-N 0 0 197.669 2.258 10 30 AEEERN C#CCC[C@H](O)c1occc1C 165067382 344257632 /nfs/dbraw/zinc/25/76/32/344257632.db2.gz GBIOFUNDIRJNOV-VIFPVBQESA-N 0 0 164.204 2.035 10 30 AEEERN CC#CCCn1cnc2c1CCCC2 165153328 344259017 /nfs/dbraw/zinc/25/90/17/344259017.db2.gz BFYWFNXDSHCQOM-UHFFFAOYSA-N 0 0 188.274 2.175 10 30 AEEERN C#C[C@H](NC)c1cc(Cl)ccc1F 165132913 344259026 /nfs/dbraw/zinc/25/90/26/344259026.db2.gz OWZOMWHCCVHZHN-JTQLQIEISA-N 0 0 197.640 2.373 10 30 AEEERN CC(C)(C)c1ccc(/C(N)=N/O)s1 165837509 344271120 /nfs/dbraw/zinc/27/11/20/344271120.db2.gz UFZZZWAJYFIGBF-UHFFFAOYSA-N 0 0 198.291 2.140 10 30 AEEERN C#CC[S@@](=O)c1cc(C)cc(C)c1 166416848 344281319 /nfs/dbraw/zinc/28/13/19/344281319.db2.gz KINKLWAZZOZBGV-ZDUSSCGKSA-N 0 0 192.283 2.044 10 30 AEEERN COc1cccc2c1ccn2CC#N 166425326 344281742 /nfs/dbraw/zinc/28/17/42/344281742.db2.gz WYRRMXMTZKVYPJ-UHFFFAOYSA-N 0 0 186.214 2.173 10 30 AEEERN Cc1cc(O[C@@H](C)C#N)c(F)cc1N 166569843 344284325 /nfs/dbraw/zinc/28/43/25/344284325.db2.gz KYBJKQJNJXMNQO-ZETCQYMHSA-N 0 0 194.209 2.007 10 30 AEEERN CCC(=O)Nc1ccc(C#N)cc1F 167021429 344295470 /nfs/dbraw/zinc/29/54/70/344295470.db2.gz NENBLFMLJOJSKU-UHFFFAOYSA-N 0 0 192.193 2.046 10 30 AEEERN CC/C(=N\O)c1ccc(F)cc1 167207263 344300147 /nfs/dbraw/zinc/30/01/47/344300147.db2.gz BIJMVPFMARFJRN-PKNBQFBNSA-N 0 0 167.183 2.414 10 30 AEEERN CC(C)Cc1cccc(C#CCO)c1 167541870 344307648 /nfs/dbraw/zinc/30/76/48/344307648.db2.gz PWVPRCBIYAQGLU-UHFFFAOYSA-N 0 0 188.270 2.229 10 30 AEEERN C#CCC(=O)C1(C)CCCC1 167697144 344311702 /nfs/dbraw/zinc/31/17/02/344311702.db2.gz KRIDBPWJWGBETJ-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C=C=CC(=O)c1ccc(C)s1 167708452 344312173 /nfs/dbraw/zinc/31/21/73/344312173.db2.gz DZCYPJMWWKRWDF-UHFFFAOYSA-N 0 0 164.229 2.263 10 30 AEEERN Cc1ccc(C(=O)C2=CCCCO2)o1 167724601 344313133 /nfs/dbraw/zinc/31/31/33/344313133.db2.gz BFPUCAQTWXFEMR-UHFFFAOYSA-N 0 0 192.214 2.465 10 30 AEEERN C[C@@H]1COc2ccccc2[C@H]1C#N 168109024 344321265 /nfs/dbraw/zinc/32/12/65/344321265.db2.gz ZDYHTPATEZOUQD-SCZZXKLOSA-N 0 0 173.215 2.322 10 30 AEEERN CN[C@H](C#N)c1cc(F)cc(Cl)c1 168286397 344327427 /nfs/dbraw/zinc/32/74/27/344327427.db2.gz FQWJIQFXVVQWBI-SECBINFHSA-N 0 0 198.628 2.263 10 30 AEEERN CC#CCC(=O)C(C)(C)CC 167892231 344316517 /nfs/dbraw/zinc/31/65/17/344316517.db2.gz NJRDSOKWNRUHNE-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN C#CC[C@H]([NH3+])c1cc2c(s1)CCC2 168566927 344332925 /nfs/dbraw/zinc/33/29/25/344332925.db2.gz QKNCMJDGPBNMEM-VIFPVBQESA-N 0 0 191.299 2.260 10 30 AEEERN C#CC[C@@H]([NH3+])c1cc2c(s1)CCC2 168567001 344333122 /nfs/dbraw/zinc/33/31/22/344333122.db2.gz QKNCMJDGPBNMEM-SECBINFHSA-N 0 0 191.299 2.260 10 30 AEEERN C=C[C@H](O)c1cccc(Cl)c1O 168356192 344328916 /nfs/dbraw/zinc/32/89/16/344328916.db2.gz HOGMXFIXGFAILC-QMMMGPOBSA-N 0 0 184.622 2.265 10 30 AEEERN C[C@]1(C(=O)C2=CCCO2)CCCS1 168359424 344329468 /nfs/dbraw/zinc/32/94/68/344329468.db2.gz IVGAQLNTYXRYPM-SNVBAGLBSA-N 0 0 198.287 2.145 10 30 AEEERN CCCC(CCC)C(=O)N[C@H](C)C#N 168999007 344342031 /nfs/dbraw/zinc/34/20/31/344342031.db2.gz HXXPVMZECOBFDX-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN C=C(C)CC[C@H]1CSCC1=O 169066549 344343447 /nfs/dbraw/zinc/34/34/47/344343447.db2.gz SYORYYFTXUEJDZ-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN C=CC[C@@H](C)Nc1ccc(N)c(C)[nH+]1 169051419 344343474 /nfs/dbraw/zinc/34/34/74/344343474.db2.gz KWYJRAHUDDBFJB-MRVPVSSYSA-N 0 0 191.278 2.349 10 30 AEEERN C=CC[C@H](C)Nc1ccc(N)c(C)[nH+]1 169051325 344343657 /nfs/dbraw/zinc/34/36/57/344343657.db2.gz KWYJRAHUDDBFJB-QMMMGPOBSA-N 0 0 191.278 2.349 10 30 AEEERN CC#CC[C@H](O)c1cccc(F)c1F 169083100 344344122 /nfs/dbraw/zinc/34/41/22/344344122.db2.gz CGEUKFAANMVFPP-JTQLQIEISA-N 0 0 196.196 2.412 10 30 AEEERN N#CC[C@H]1CC[C@H](c2ccco2)O1 169167921 344347167 /nfs/dbraw/zinc/34/71/67/344347167.db2.gz ZOMARVWNOLPZGJ-PSASIEDQSA-N 0 0 177.203 2.413 10 30 AEEERN O=Cc1occc1C#Cc1ccccc1 169168466 344347195 /nfs/dbraw/zinc/34/71/95/344347195.db2.gz AZTHCNQWFYIVRO-UHFFFAOYSA-N 0 0 196.205 2.492 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CC[C@@H](C)O1 169162660 344347198 /nfs/dbraw/zinc/34/71/98/344347198.db2.gz HGPFMBGUYAGYIQ-SCZZXKLOSA-N 0 0 168.236 2.089 10 30 AEEERN CC(C)=CC(=O)[C@H]1CC[C@@H](C)O1 169162508 344347252 /nfs/dbraw/zinc/34/72/52/344347252.db2.gz HGPFMBGUYAGYIQ-PSASIEDQSA-N 0 0 168.236 2.089 10 30 AEEERN C=CC[NH2+][C@@H]1CCCc2occc21 169187978 344348274 /nfs/dbraw/zinc/34/82/74/344348274.db2.gz YNJZZSDOTIJVAS-SNVBAGLBSA-N 0 0 177.247 2.433 10 30 AEEERN C=CCCn1ccc2c1CCC[C@H]2O 168947187 344340913 /nfs/dbraw/zinc/34/09/13/344340913.db2.gz CMIMZMIFHMGLBL-GFCCVEGCSA-N 0 0 191.274 2.434 10 30 AEEERN c1ccc2c(C[C@@H]3CO3)coc2c1 168943750 344340923 /nfs/dbraw/zinc/34/09/23/344340923.db2.gz DGRPMYXBVLDXLM-SECBINFHSA-N 0 0 174.199 2.374 10 30 AEEERN C=CC[C@@H]1Cc2ccccc2OC1=O 196667150 344358409 /nfs/dbraw/zinc/35/84/09/344358409.db2.gz QBVFMBYRLJJCKU-SNVBAGLBSA-N 0 0 188.226 2.340 10 30 AEEERN N#CC[C@@H]1CCN1Cc1ccccc1 199551831 344361196 /nfs/dbraw/zinc/36/11/96/344361196.db2.gz GMRFUVODBZLFPW-GFCCVEGCSA-N 0 0 186.258 2.175 10 30 AEEERN C#CCCCC[C@@H](C)CCO 205276939 344371107 /nfs/dbraw/zinc/37/11/07/344371107.db2.gz CPTSFKUKUBQVRU-SNVBAGLBSA-N 0 0 154.253 2.199 10 30 AEEERN C=CC[C@@H](O)[C@H]1O[C@@H]1c1ccccc1 205279764 344371110 /nfs/dbraw/zinc/37/11/10/344371110.db2.gz BKNVIKJXRVQQDM-IJLUTSLNSA-N 0 0 190.242 2.064 10 30 AEEERN N#CCCc1cc2c(cn1)CCC2 205925906 344375206 /nfs/dbraw/zinc/37/52/06/344375206.db2.gz KRJAEWJBHNHJFH-UHFFFAOYSA-N 0 0 172.231 2.026 10 30 AEEERN C=CCCC/C=C(\C)CO 206785773 344375697 /nfs/dbraw/zinc/37/56/97/344375697.db2.gz ADXOLFPSKYGPTG-VQHVLOKHSA-N 0 0 140.226 2.281 10 30 AEEERN COc1ccc(C#CSC)cc1 207449992 344376166 /nfs/dbraw/zinc/37/61/66/344376166.db2.gz BOCRTNQNTRIUHZ-UHFFFAOYSA-N 0 0 178.256 2.367 10 30 AEEERN C[Si](C)(C)C/N=C/c1ccccn1 207346531 344376178 /nfs/dbraw/zinc/37/61/78/344376178.db2.gz YXNXYQVLEZOGOI-DHZHZOJOSA-N 0 0 192.338 2.378 10 30 AEEERN CCc1cc(F)c(OC)c(CC#N)c1 214719557 344382765 /nfs/dbraw/zinc/38/27/65/344382765.db2.gz RKVKQAYPNLJZTP-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN C=C[C@]1(O)CCc2c(F)cccc21 215025021 344384986 /nfs/dbraw/zinc/38/49/86/344384986.db2.gz YETYVLFQIDIDGF-NSHDSACASA-N 0 0 178.206 2.146 10 30 AEEERN C=C[C@@]1(O)CCc2c(F)cccc21 215025066 344384997 /nfs/dbraw/zinc/38/49/97/344384997.db2.gz YETYVLFQIDIDGF-LLVKDONJSA-N 0 0 178.206 2.146 10 30 AEEERN CO[C@@]1(C#N)CCc2c(F)cccc21 215089045 344385758 /nfs/dbraw/zinc/38/57/58/344385758.db2.gz CGFAGPALPGLWJM-LLVKDONJSA-N 0 0 191.205 2.137 10 30 AEEERN CCCOc1cc(C#N)cc(Cl)n1 215406179 344388846 /nfs/dbraw/zinc/38/88/46/344388846.db2.gz LSNCCMKSWASKCB-UHFFFAOYSA-N 0 0 196.637 2.395 10 30 AEEERN C#CCC[C@](C)(O)c1ccc(O)cc1 215414896 344389143 /nfs/dbraw/zinc/38/91/43/344389143.db2.gz WRFPSVKBZROLQF-LBPRGKRZSA-N 0 0 190.242 2.013 10 30 AEEERN C[C@H]1CCCC[C@]1(O)[C@H](C)C#N 218203818 344410698 /nfs/dbraw/zinc/41/06/98/344410698.db2.gz BUHFCKCIWBIYIO-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@@](C)(O)C2CC2)C1 218247972 344410710 /nfs/dbraw/zinc/41/07/10/344410710.db2.gz JHKCAOYZRXGSEP-ADEWGFFLSA-N 0 0 193.290 2.477 10 30 AEEERN C=Cc1ccc(C#N)c(F)c1OC 218210657 344410711 /nfs/dbraw/zinc/41/07/11/344410711.db2.gz KKGLGSZWZARYDO-UHFFFAOYSA-N 0 0 177.178 2.349 10 30 AEEERN C/C(=N\[S@](=O)C(C)(C)C)C1CC1 217865953 344407168 /nfs/dbraw/zinc/40/71/68/344407168.db2.gz VNQGJYYFNVSDFU-OFFHKIPUSA-N 0 0 187.308 2.320 10 30 AEEERN CC[C@H](O)[C@]1(C#N)CCC[C@@H](C)C1 218468515 344412937 /nfs/dbraw/zinc/41/29/37/344412937.db2.gz DNRYBPGKJUHHJO-OUAUKWLOSA-N 0 0 181.279 2.477 10 30 AEEERN CCC1=CC(=O)C[C@@H](C)C1 218723995 344415178 /nfs/dbraw/zinc/41/51/78/344415178.db2.gz MKJALXIABLCWAS-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN CCC1=CC(=O)C[C@H](C)C1 218723922 344415180 /nfs/dbraw/zinc/41/51/80/344415180.db2.gz MKJALXIABLCWAS-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN O=C(/C=C/Cl)c1ccncc1 218748244 344415683 /nfs/dbraw/zinc/41/56/83/344415683.db2.gz OBCRKLQDERFJTN-DAFODLJHSA-N 0 0 167.595 2.017 10 30 AEEERN CO/C=C1\CCc2cc(C#N)ccc21 218840429 344416836 /nfs/dbraw/zinc/41/68/36/344416836.db2.gz SSKXPYWJBABPBX-DHZHZOJOSA-N 0 0 185.226 2.492 10 30 AEEERN CC(C)[C@@](C)(O)/C=N/C(C)(C)C 218383038 344412113 /nfs/dbraw/zinc/41/21/13/344412113.db2.gz MEDVVJSQCJAXOW-VUBLIPMDSA-N 0 0 171.284 2.263 10 30 AEEERN COc1ccc(CC(C)(C)C=O)cc1 219344232 344422647 /nfs/dbraw/zinc/42/26/47/344422647.db2.gz ZIPGUANHDPOQTD-UHFFFAOYSA-N 0 0 192.258 2.463 10 30 in-vitro AEEERN CS[C@@H](C)C/C=C/C(C)=O 219820812 344428406 /nfs/dbraw/zinc/42/84/06/344428406.db2.gz NMZPARRXIXDSLR-ZJELKQJVSA-N 0 0 158.266 2.273 10 30 AEEERN C=CCNc1c(C)cccc1C#N 220997425 344437680 /nfs/dbraw/zinc/43/76/80/344437680.db2.gz BKXUVXCEHVVVHR-UHFFFAOYSA-N 0 0 172.231 2.465 10 30 AEEERN Cc1cc2[nH]cc(C#N)c2s1 221501328 344444051 /nfs/dbraw/zinc/44/40/51/344444051.db2.gz DAXOEENJHWIODQ-UHFFFAOYSA-N 0 0 162.217 2.410 10 30 AEEERN O=CC[C@H]1CC2CCC1CC2 222088363 344448938 /nfs/dbraw/zinc/44/89/38/344448938.db2.gz DIJBCVBJBLESHB-RTBKNWGFSA-N 0 0 152.237 2.402 10 30 AEEERN Cc1cnc(CC#N)c(Cl)c1 224196006 344466938 /nfs/dbraw/zinc/46/69/38/344466938.db2.gz DKBVXLQIZGAGRJ-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN CCCCCC(=O)C#CCl 224500303 344469780 /nfs/dbraw/zinc/46/97/80/344469780.db2.gz SPMWIDHALJCHBL-UHFFFAOYSA-N 0 0 158.628 2.336 10 30 AEEERN Cc1cc(F)c(N)c(C#N)c1Cl 226394868 344501671 /nfs/dbraw/zinc/50/16/71/344501671.db2.gz NCSUPWUSQBHSGA-UHFFFAOYSA-N 0 0 184.601 2.241 10 30 AEEERN C=C(C)CC(=O)[C@]1([NH3+])CCC[C@@H](C)C1 226467498 344503811 /nfs/dbraw/zinc/50/38/11/344503811.db2.gz VBJXQERNLQADTD-PWSUYJOCSA-N 0 0 195.306 2.429 10 30 AEEERN C[C@@H]1CCC[C@H](SC[C@@H](N)C#N)C1 226541349 344506516 /nfs/dbraw/zinc/50/65/16/344506516.db2.gz MAXWXUVTPPAHEH-UTLUCORTSA-N 0 0 198.335 2.149 10 30 AEEERN C#CCC(=O)c1cc(N)cc(Cl)c1 226771703 344513309 /nfs/dbraw/zinc/51/33/09/344513309.db2.gz WDQIKMDEWMCCMW-UHFFFAOYSA-N 0 0 193.633 2.128 10 30 AEEERN C=C[C@H](C)[C@@H](CC)[C@H](C)O 226912461 344516897 /nfs/dbraw/zinc/51/68/97/344516897.db2.gz GBWULTGRZJQKKJ-XHNCKOQMSA-N 0 0 142.242 2.216 10 30 AEEERN CC#CC[C@H](O)[C@@H]1CCC[C@@H]1C 226912088 344516933 /nfs/dbraw/zinc/51/69/33/344516933.db2.gz RWYFOWXWGYCJRJ-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CCC[C@@H]1C 226924614 344517470 /nfs/dbraw/zinc/51/74/70/344517470.db2.gz PPNRQHJDBWHCJN-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@H](O)[C@@H]1CCCC1(C)C 226922778 344517549 /nfs/dbraw/zinc/51/75/49/344517549.db2.gz QZMGXJXAXUZASC-IUCAKERBSA-N 0 0 154.253 2.360 10 30 AEEERN CC#CCC(=O)[C@H]1CNc2ccccc21 226732075 344511407 /nfs/dbraw/zinc/51/14/07/344511407.db2.gz OYQQVLXPFRCZCQ-NSHDSACASA-N 0 0 199.253 2.178 10 30 AEEERN C[C@@H]1CC(O)=C(C=O)[C@H](C)C1 227339786 344528680 /nfs/dbraw/zinc/52/86/80/344528680.db2.gz MOEAXIFVGJCPPN-OAVJAUTGSA-N 0 0 154.209 2.063 10 30 AEEERN C#C[C@H](O)c1ccc([C@@H]2C[C@H]2C)o1 227336327 344528734 /nfs/dbraw/zinc/52/87/34/344528734.db2.gz QAVHCEWPXGASBY-HLTSFMKQSA-N 0 0 176.215 2.070 10 30 AEEERN CC#CC[C@@H](O)c1ncc(C)cc1C 227562692 344534971 /nfs/dbraw/zinc/53/49/71/344534971.db2.gz JGGWNGUQVVITNQ-LLVKDONJSA-N 0 0 189.258 2.145 10 30 AEEERN CC=C=CC(=O)c1ncc(C)cc1C 227560998 344535006 /nfs/dbraw/zinc/53/50/06/344535006.db2.gz GZGJQYGYJHTTKE-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN C#CCC[C@H](O)c1ncc(C)cc1C 227563317 344535651 /nfs/dbraw/zinc/53/56/51/344535651.db2.gz YQBNFVPFCQDSLW-NSHDSACASA-N 0 0 189.258 2.145 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1[C@@](C)(O)C=O 227901387 344549924 /nfs/dbraw/zinc/54/99/24/344549924.db2.gz UJOSXELATLSJHE-VWYCJHECSA-N 0 0 184.279 2.153 10 30 AEEERN CC(=O)/C=C1\CCO[C@H](C(C)C)C1 228125151 344557597 /nfs/dbraw/zinc/55/75/97/344557597.db2.gz QVDOZYXPQZJKPU-RUYJGKKWSA-N 0 0 182.263 2.337 10 30 AEEERN CC[C@]1(C)C/C(=C/C(C)=O)CCO1 228124381 344557805 /nfs/dbraw/zinc/55/78/05/344557805.db2.gz LORSLRJKNPAYIB-PFEDMVJOSA-N 0 0 182.263 2.481 10 30 AEEERN C=C[C@H](O)[C@H]1CCC[C@H](C)C1 228353479 344561198 /nfs/dbraw/zinc/56/11/98/344561198.db2.gz CTEQQHTWMPJOBI-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)CCn1cccc1 229082765 344581459 /nfs/dbraw/zinc/58/14/59/344581459.db2.gz TXOHDNJIMVRBMS-UHFFFAOYSA-N 0 0 135.210 2.454 10 30 AEEERN C=CCNc1cc(C)nc(Cl)n1 229298440 344589613 /nfs/dbraw/zinc/58/96/13/344589613.db2.gz AVUVKMUJFYEIAJ-UHFFFAOYSA-N 0 0 183.642 2.036 10 30 AEEERN CC#CCCNc1cccc(F)n1 229331646 344591857 /nfs/dbraw/zinc/59/18/57/344591857.db2.gz LVRWJRHJZPNBFH-UHFFFAOYSA-N 0 0 178.210 2.046 10 30 AEEERN C#C[C@H](C)Nc1ccccc1COC 229520622 344599964 /nfs/dbraw/zinc/59/99/64/344599964.db2.gz BCZXTFRKTHSLML-JTQLQIEISA-N 0 0 189.258 2.267 10 30 AEEERN SCCOCCC1CCC1 229592671 344606962 /nfs/dbraw/zinc/60/69/62/344606962.db2.gz UGOQTZIDTRSRKP-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN C#C[C@@H](C)Nc1ccc(C#N)cc1F 229547674 344602091 /nfs/dbraw/zinc/60/20/91/344602091.db2.gz FQDVQRHBEZKGMW-MRVPVSSYSA-N 0 0 188.205 2.131 10 30 AEEERN CC[C@H]1CCC[C@]1(C#N)NC1CC1 229647260 344608536 /nfs/dbraw/zinc/60/85/36/344608536.db2.gz FBZWXDUIXBERRX-GXSJLCMTSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@](Cl)(C#N)CC1CC1 229753024 344614051 /nfs/dbraw/zinc/61/40/51/344614051.db2.gz GSYWTKDPMXKCDR-SSDOTTSWSA-N 0 0 143.617 2.308 10 30 AEEERN C#C[C@@H](CC)Nc1ccc(C)cn1 229999268 344622841 /nfs/dbraw/zinc/62/28/41/344622841.db2.gz CQGPKVVWDNYFNI-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@H](CC)Nc1ccc(F)cn1 230000317 344622846 /nfs/dbraw/zinc/62/28/46/344622846.db2.gz NAZPGTNJEVOWKU-SECBINFHSA-N 0 0 178.210 2.044 10 30 AEEERN C#C[C@H](CC)Nc1ccc(C)cn1 229999274 344622908 /nfs/dbraw/zinc/62/29/08/344622908.db2.gz CQGPKVVWDNYFNI-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@@H](CCC)Nc1ncccc1F 230002356 344623584 /nfs/dbraw/zinc/62/35/84/344623584.db2.gz SFYDSHRNZZKWCS-VIFPVBQESA-N 0 0 192.237 2.435 10 30 AEEERN C#C[C@@H](CC)Nc1ncccc1C 229998605 344622784 /nfs/dbraw/zinc/62/27/84/344622784.db2.gz NJILDYGFTWDENT-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@H](CC)Nc1nc(C)cs1 229999805 344622793 /nfs/dbraw/zinc/62/27/93/344622793.db2.gz SAWJWLRJXMRGIQ-MRVPVSSYSA-N 0 0 180.276 2.275 10 30 AEEERN C#C[C@@H](CC)Nc1ncc(F)cc1F 230001039 344622824 /nfs/dbraw/zinc/62/28/24/344622824.db2.gz VHPIYCSZBVVRIU-QMMMGPOBSA-N 0 0 196.200 2.184 10 30 AEEERN C#C[C@H](CC)Nc1cccc(F)n1 230020890 344624315 /nfs/dbraw/zinc/62/43/15/344624315.db2.gz YDOURYPWOXIKEM-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN N#Cc1ccc2c(F)cc(F)cc2n1 230093055 344626328 /nfs/dbraw/zinc/62/63/28/344626328.db2.gz NPTKDCOCOCVBIS-UHFFFAOYSA-N 0 0 190.152 2.385 10 30 AEEERN C=CC(=O)c1ccc(Cl)o1 230278014 344630401 /nfs/dbraw/zinc/63/04/01/344630401.db2.gz ZAENVXYNSBNHNM-UHFFFAOYSA-N 0 0 156.568 2.302 10 30 AEEERN CCN(CC1CCC1)[C@@H](C)C#N 230316479 344630806 /nfs/dbraw/zinc/63/08/06/344630806.db2.gz FGVOZBFMPRVKPA-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN Cc1ccc(F)cc1OC[C@@]1(C)CO1 230439015 344636518 /nfs/dbraw/zinc/63/65/18/344636518.db2.gz WBFKLAVOKAKXPF-NSHDSACASA-N 0 0 196.221 2.302 10 30 AEEERN CC(C)[C@H]1CCC[C@](N)(C#N)C1 231003812 344647192 /nfs/dbraw/zinc/64/71/92/344647192.db2.gz SOWBZENMZWMMCO-VHSXEESVSA-N 0 0 166.268 2.054 10 30 AEEERN CC(C)[C@@H]1CCC[C@@](N)(C#N)C1 231003802 344647263 /nfs/dbraw/zinc/64/72/63/344647263.db2.gz SOWBZENMZWMMCO-ZJUUUORDSA-N 0 0 166.268 2.054 10 30 AEEERN COc1cccc(C#N)c1NC1CC1 231103144 344648111 /nfs/dbraw/zinc/64/81/11/344648111.db2.gz JYJLFXUNALMQFU-UHFFFAOYSA-N 0 0 188.230 2.141 10 30 AEEERN C=CCCS[C@H](C)[C@H](C)O 231190876 344649590 /nfs/dbraw/zinc/64/95/90/344649590.db2.gz FWFHHALIPNJDPF-JGVFFNPUSA-N 0 0 160.282 2.065 10 30 AEEERN C=CCCS[C@H](C)[C@@H](C)O 231190855 344649604 /nfs/dbraw/zinc/64/96/04/344649604.db2.gz FWFHHALIPNJDPF-HTQZYQBOSA-N 0 0 160.282 2.065 10 30 AEEERN C=CCNc1ncc2sccc2n1 231254452 344650152 /nfs/dbraw/zinc/65/01/52/344650152.db2.gz STPZLQPBCUNYBV-UHFFFAOYSA-N 0 0 191.259 2.289 10 30 AEEERN C=CCC(=O)Nc1ncccc1Cl 231770755 344659996 /nfs/dbraw/zinc/65/99/96/344659996.db2.gz UWJINQBFLFYWHQ-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN Cc1ccc([C@@](C)(O)C=O)cc1Cl 231981623 344668692 /nfs/dbraw/zinc/66/86/92/344668692.db2.gz BDNITRNSHDCZSE-JTQLQIEISA-N 0 0 198.649 2.055 10 30 AEEERN C=C(C)C(=O)c1cnn2ccccc12 231935085 344665281 /nfs/dbraw/zinc/66/52/81/344665281.db2.gz UTTIWGNTZUOJBU-UHFFFAOYSA-N 0 0 186.214 2.093 10 30 AEEERN C=C(C)C(=O)CC1CCC1 232176822 344672834 /nfs/dbraw/zinc/67/28/34/344672834.db2.gz XCBVEDJOWQSIEG-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)c1ccc(N)cc1 232274694 344673313 /nfs/dbraw/zinc/67/33/13/344673313.db2.gz PTBYEGKKRKVWES-KCJUWKMLSA-N 0 0 172.231 2.070 10 30 AEEERN C[C@@H]1C[C@]1(C#N)c1cccc(N)c1 232275044 344673316 /nfs/dbraw/zinc/67/33/16/344673316.db2.gz GVAMEUQBXCLZPR-LDYMZIIASA-N 0 0 172.231 2.070 10 30 AEEERN C[C@H]1C[C@@]1(C#N)c1cccc(N)c1 232275043 344673338 /nfs/dbraw/zinc/67/33/38/344673338.db2.gz GVAMEUQBXCLZPR-KWQFWETISA-N 0 0 172.231 2.070 10 30 AEEERN C=CC(=O)C[C@@H]1Cc2ccccc21 232484978 344680090 /nfs/dbraw/zinc/68/00/90/344680090.db2.gz STXOLEBCCJCYDF-JTQLQIEISA-N 0 0 172.227 2.472 10 30 AEEERN C=CC(=O)C[C@H]1Cc2ccccc21 232485011 344680092 /nfs/dbraw/zinc/68/00/92/344680092.db2.gz STXOLEBCCJCYDF-SNVBAGLBSA-N 0 0 172.227 2.472 10 30 AEEERN CC(C)C1CC(C#N)(NC2CC2)C1 232536221 344681441 /nfs/dbraw/zinc/68/14/41/344681441.db2.gz CYMHDVQJQGLVOZ-UHFFFAOYSA-N 0 0 178.279 2.067 10 30 AEEERN CC(C)=CC(=O)C1(O)CCCCC1 232553897 344681927 /nfs/dbraw/zinc/68/19/27/344681927.db2.gz BLUCBKXDBHFICP-UHFFFAOYSA-N 0 0 182.263 2.217 10 30 AEEERN CC(C)C1CC(O)(C2(C#N)CCC2)C1 232541839 344681943 /nfs/dbraw/zinc/68/19/43/344681943.db2.gz ARIZYDKSBNAYEB-UHFFFAOYSA-N 0 0 193.290 2.477 10 30 AEEERN C=CC(=O)[C@@H]1CCOC2(CCC2)C1 232554409 344681948 /nfs/dbraw/zinc/68/19/48/344681948.db2.gz VFRGOCUDBUVLJA-SECBINFHSA-N 0 0 180.247 2.091 10 30 AEEERN C=CC(=O)[C@H]1CCCc2cccnc21 232554661 344681949 /nfs/dbraw/zinc/68/19/49/344681949.db2.gz ISMRLCDTODXXBF-SNVBAGLBSA-N 0 0 187.242 2.257 10 30 AEEERN CC(C)(C)c1ccc(CC#N)nc1 232554189 344681950 /nfs/dbraw/zinc/68/19/50/344681950.db2.gz NJKBRQDQOZCFFL-UHFFFAOYSA-N 0 0 174.247 2.445 10 30 AEEERN C=CC(=O)[C@@H]1CCCc2cccnc21 232554261 344681961 /nfs/dbraw/zinc/68/19/61/344681961.db2.gz ISMRLCDTODXXBF-JTQLQIEISA-N 0 0 187.242 2.257 10 30 AEEERN CC(C)=CC(=O)C1=COCCC1 232553982 344681964 /nfs/dbraw/zinc/68/19/64/344681964.db2.gz NZBREKDWVBYPLA-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN CC(C)(O)C(=O)C1=CCCCCC1 232553918 344682028 /nfs/dbraw/zinc/68/20/28/344682028.db2.gz QPFWDQJKAPUJMT-UHFFFAOYSA-N 0 0 182.263 2.217 10 30 AEEERN C/C=C/C(=O)c1cncc(C)c1 232562619 344683059 /nfs/dbraw/zinc/68/30/59/344683059.db2.gz HQLQICNOSNLKQZ-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)[C@H](NN)c1ccoc1Cl 232566662 344683411 /nfs/dbraw/zinc/68/34/11/344683411.db2.gz GTXNLNQQFVIPHZ-ZETCQYMHSA-N 0 0 186.642 2.014 10 30 AEEERN C=C(C)[C@H](O)C1Cc2ccccc2C1 232567142 344683413 /nfs/dbraw/zinc/68/34/13/344683413.db2.gz DUTRMHRGOSHTQV-ZDUSSCGKSA-N 0 0 188.270 2.338 10 30 AEEERN CC#CC[C@H](O)c1sc(C)nc1C 232569357 344683754 /nfs/dbraw/zinc/68/37/54/344683754.db2.gz BNRDKOWSWMNTIA-VIFPVBQESA-N 0 0 195.287 2.207 10 30 AEEERN C=C(C)C(=O)c1cccc2c1OCC2 232581784 344684317 /nfs/dbraw/zinc/68/43/17/344684317.db2.gz NSOAEBUPPFBUHJ-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN CC(C)CN[C@@]1(C#N)CCS[C@@H]1C 232581983 344684374 /nfs/dbraw/zinc/68/43/74/344684374.db2.gz REJLCEJJVWOFFY-NXEZZACHSA-N 0 0 198.335 2.020 10 30 AEEERN CC(C)CN[C@]1(C#N)CCS[C@H]1C 232596075 344685226 /nfs/dbraw/zinc/68/52/26/344685226.db2.gz REJLCEJJVWOFFY-UWVGGRQHSA-N 0 0 198.335 2.020 10 30 AEEERN CC(C)CNc1cc(N)c(C#N)s1 232601194 344685243 /nfs/dbraw/zinc/68/52/43/344685243.db2.gz XDZOLZVIDLUGBA-UHFFFAOYSA-N 0 0 195.291 2.270 10 30 AEEERN CC(C)Sc1ccc(N)c(C#N)n1 232678184 344687977 /nfs/dbraw/zinc/68/79/77/344687977.db2.gz VVFPKKYXFQPZLI-UHFFFAOYSA-N 0 0 193.275 2.036 10 30 AEEERN CC/C=C/C(=O)c1ccncc1F 232802411 344691887 /nfs/dbraw/zinc/69/18/87/344691887.db2.gz ZSZUXCRKZFRYJQ-ONEGZZNKSA-N 0 0 179.194 2.370 10 30 AEEERN C=C(C)C(=O)C1(O)CCC(C)CC1 232822933 344693294 /nfs/dbraw/zinc/69/32/94/344693294.db2.gz BDJDLCRUOSBFAJ-UHFFFAOYSA-N 0 0 182.263 2.073 10 30 AEEERN CCC[C@@]1(CC)CC(=O)C=CO1 233317289 344700845 /nfs/dbraw/zinc/70/08/45/344700845.db2.gz KWHGJERJGTUXLD-JTQLQIEISA-N 0 0 168.236 2.438 10 30 AEEERN CCN[C@@]1(C#N)CC(C)(C)C[C@H]1C 233613305 344703002 /nfs/dbraw/zinc/70/30/02/344703002.db2.gz YIBASMQTTCOPFY-MWLCHTKSSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@H](C)CSCCC=O 234002425 344709853 /nfs/dbraw/zinc/70/98/53/344709853.db2.gz CLGAAYNNQPQXOL-QMMMGPOBSA-N 0 0 160.282 2.355 10 30 AEEERN CC[C@H](C)N[C@@]1(C#N)CCS[C@@H]1C 234008083 344709913 /nfs/dbraw/zinc/70/99/13/344709913.db2.gz CBZVSZLXJLASOZ-IVZWLZJFSA-N 0 0 198.335 2.162 10 30 AEEERN C/C=C(/CC)C(=O)c1cccnc1N 234114719 344712952 /nfs/dbraw/zinc/71/29/52/344712952.db2.gz BXPMHZLJQYMXLK-BAQGIRSFSA-N 0 0 190.246 2.203 10 30 AEEERN CC[C@@H](C#N)C(=O)c1cnc(C)s1 233836418 344704965 /nfs/dbraw/zinc/70/49/65/344704965.db2.gz MJZUNCKCGNXBII-ZETCQYMHSA-N 0 0 194.259 2.184 10 30 AEEERN CCc1ncnc(N=[N+]=[N-])c1F 234163981 344714500 /nfs/dbraw/zinc/71/45/00/344714500.db2.gz RERBFJYIBZTNPL-UHFFFAOYSA-N 0 0 167.147 2.120 10 30 AEEERN CN[C@@H](C#N)c1ccc(Cl)cc1C 234394446 344719638 /nfs/dbraw/zinc/71/96/38/344719638.db2.gz NQKHXFHLQCIFII-JTQLQIEISA-N 0 0 194.665 2.433 10 30 AEEERN CN[C@@H](C#N)c1ccc(F)cc1Cl 234394573 344719806 /nfs/dbraw/zinc/71/98/06/344719806.db2.gz BCMNOJKHFQBCJE-VIFPVBQESA-N 0 0 198.628 2.263 10 30 AEEERN C=C[C@H](NC)c1ccoc1Cl 234432756 344720137 /nfs/dbraw/zinc/72/01/37/344720137.db2.gz NLOLAAAZEJKNSW-ZETCQYMHSA-N 0 0 171.627 2.380 10 30 AEEERN COC(C)(C)C[C@@H]1OCCC[C@H]1C#N 234616387 344724115 /nfs/dbraw/zinc/72/41/15/344724115.db2.gz XFVYYRAOGWSLMP-UWVGGRQHSA-N 0 0 197.278 2.120 10 30 AEEERN CSCC(=O)C1=CCCCC1 235278233 344740003 /nfs/dbraw/zinc/74/00/03/344740003.db2.gz COXMDNVRURGIQD-UHFFFAOYSA-N 0 0 170.277 2.419 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@H]1C=O 235279111 344740020 /nfs/dbraw/zinc/74/00/20/344740020.db2.gz RTQYUPMVDYPMOL-HTQZYQBOSA-N 0 0 140.226 2.258 10 30 AEEERN Cc1cccc(N2CC[C@H]2C)c1C#N 235294148 344741314 /nfs/dbraw/zinc/74/13/14/344741314.db2.gz VGMVVPVBRFNNGZ-SNVBAGLBSA-N 0 0 186.258 2.465 10 30 AEEERN C[C@@H]1CCC[C@@H](N[C@H](C)C#N)CC1 235292248 344741469 /nfs/dbraw/zinc/74/14/69/344741469.db2.gz DMXNTFNDLPIGPY-GMTAPVOTSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H](S)C(=O)Nc1ccsc1 235299661 344741749 /nfs/dbraw/zinc/74/17/49/344741749.db2.gz AHBHLVSAVSJJIA-RXMQYKEDSA-N 0 0 187.289 2.005 10 30 AEEERN C#CCCC[C@]1(O)CCS[C@H]1C 235348081 344745007 /nfs/dbraw/zinc/74/50/07/344745007.db2.gz IJANHSRMSACTLV-UWVGGRQHSA-N 0 0 184.304 2.046 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@H]1C=O 235582493 344757674 /nfs/dbraw/zinc/75/76/74/344757674.db2.gz RTQYUPMVDYPMOL-JGVFFNPUSA-N 0 0 140.226 2.258 10 30 AEEERN C#CC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 235601991 344758721 /nfs/dbraw/zinc/75/87/21/344758721.db2.gz UIAFONSYNCEQSR-JLLWLGSASA-N 0 0 178.275 2.363 10 30 AEEERN C[C@H]1SCC[C@@]1(Cl)C#N 235627163 344760048 /nfs/dbraw/zinc/76/00/48/344760048.db2.gz CZPUBTQKRFCUGB-PHDIDXHHSA-N 0 0 161.657 2.013 10 30 AEEERN C[C@H]1SCC[C@]1(Cl)C#N 235671108 344762473 /nfs/dbraw/zinc/76/24/73/344762473.db2.gz CZPUBTQKRFCUGB-RITPCOANSA-N 0 0 161.657 2.013 10 30 AEEERN C#C[C@@](C)(O)Cc1ccc(Cl)cc1 235740845 344765337 /nfs/dbraw/zinc/76/53/37/344765337.db2.gz RRCOSTBBAPREPC-LLVKDONJSA-N 0 0 194.661 2.267 10 30 AEEERN C=CCNc1ccc(C)cc1C#N 235759972 344765623 /nfs/dbraw/zinc/76/56/23/344765623.db2.gz XKVKLISBUJIOQF-UHFFFAOYSA-N 0 0 172.231 2.465 10 30 AEEERN Cc1cc(C)c(CC=O)c(F)c1 235752949 344765674 /nfs/dbraw/zinc/76/56/74/344765674.db2.gz HXGDDCBEHMCSRQ-UHFFFAOYSA-N 0 0 166.195 2.184 10 30 AEEERN Cc1cccc(C)c1C(=O)C(C#N)C#N 235763148 344765681 /nfs/dbraw/zinc/76/56/81/344765681.db2.gz DIPLPNJIYHJXFG-UHFFFAOYSA-N 0 0 198.225 2.150 10 30 AEEERN C#CCNc1cc(C)c(O)cc1C 235763920 344765687 /nfs/dbraw/zinc/76/56/87/344765687.db2.gz SOYQNFOJAHBULV-UHFFFAOYSA-N 0 0 175.231 2.054 10 30 AEEERN C=CCCNc1snc(N)c1C 235750782 344765697 /nfs/dbraw/zinc/76/56/97/344765697.db2.gz LBNDUJFNFIECJN-UHFFFAOYSA-N 0 0 183.280 2.022 10 30 AEEERN Cc1cc(CC#N)c([N+](=O)[O-])cc1F 235762489 344765706 /nfs/dbraw/zinc/76/57/06/344765706.db2.gz SILFNKGEYIESAX-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C#C[C@@H](O)c1ccc(C)cc1Cl 235755878 344765717 /nfs/dbraw/zinc/76/57/17/344765717.db2.gz VVWPZVFUKJLMPL-SNVBAGLBSA-N 0 0 180.634 2.315 10 30 AEEERN C=CCNc1cc(C)c(F)cc1N 235768299 344765989 /nfs/dbraw/zinc/76/59/89/344765989.db2.gz YRQMUYKTRZSQQW-UHFFFAOYSA-N 0 0 180.226 2.314 10 30 AEEERN Cc1ccc(C#N)cc1NC1CC1 235764750 344766034 /nfs/dbraw/zinc/76/60/34/344766034.db2.gz CXHXHBYDECSGTP-UHFFFAOYSA-N 0 0 172.231 2.441 10 30 AEEERN Cc1cc(Cl)ccc1[C@H](O)CC=O 235766087 344766062 /nfs/dbraw/zinc/76/60/62/344766062.db2.gz WCCABSIKQQCJHT-SNVBAGLBSA-N 0 0 198.649 2.271 10 30 AEEERN Cc1ccccc1NC1(C#N)CC1 235771548 344766063 /nfs/dbraw/zinc/76/60/63/344766063.db2.gz PTUHGCSICJSEKR-UHFFFAOYSA-N 0 0 172.231 2.463 10 30 AEEERN C#CC(=O)c1ccc(Cl)cc1C 235796355 344766660 /nfs/dbraw/zinc/76/66/60/344766660.db2.gz JCLACNGWRASBFF-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN Cc1coc(SCCS)n1 235817902 344767835 /nfs/dbraw/zinc/76/78/35/344767835.db2.gz VMDMGOSYNZDIFW-UHFFFAOYSA-N 0 0 175.278 2.005 10 30 AEEERN Cc1cccc(NC2CC2)c1C#N 235930561 344770067 /nfs/dbraw/zinc/77/00/67/344770067.db2.gz MPBPARSTGABKAQ-UHFFFAOYSA-N 0 0 172.231 2.441 10 30 AEEERN C=CCC(=O)Nc1cnccc1Cl 236045639 344771777 /nfs/dbraw/zinc/77/17/77/344771777.db2.gz FGOAFBCQDMHBRL-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN C=CCC(=O)Nc1ccnc(Cl)c1 236053015 344771794 /nfs/dbraw/zinc/77/17/94/344771794.db2.gz FDYWIBBWSJFLOS-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN C#CCCOc1cccc(Cl)n1 236052685 344771827 /nfs/dbraw/zinc/77/18/27/344771827.db2.gz IADCICHAQFUWKB-UHFFFAOYSA-N 0 0 181.622 2.137 10 30 AEEERN N#Cc1ccc2ccn(CCF)c2c1 236125095 344774720 /nfs/dbraw/zinc/77/47/20/344774720.db2.gz DIOMBQMIQLDLHX-UHFFFAOYSA-N 0 0 188.205 2.482 10 30 AEEERN N#Cc1ccc2c(ccn2CCF)c1 236125071 344774730 /nfs/dbraw/zinc/77/47/30/344774730.db2.gz GACOPQOIQUTLNP-UHFFFAOYSA-N 0 0 188.205 2.482 10 30 AEEERN F[C@H](c1ccccc1)[C@H]1CO1 17788299 190610461 /nfs/dbraw/zinc/61/04/61/190610461.db2.gz KDCLZRHLDRBQFC-RKDXNWHRSA-N 0 0 152.168 2.096 10 30 AEEERN F[C@H](c1ccccc1)[C@@H]1CO1 17788293 190610463 /nfs/dbraw/zinc/61/04/63/190610463.db2.gz KDCLZRHLDRBQFC-DTWKUNHWSA-N 0 0 152.168 2.096 10 30 AEEERN C#CC(=O)c1ccc(Cl)c(F)c1 236172983 344776337 /nfs/dbraw/zinc/77/63/37/344776337.db2.gz ILQKPLLFPIKTTK-UHFFFAOYSA-N 0 0 182.581 2.295 10 30 AEEERN N#C[C@@H]1CCC[C@H]1Sc1ncco1 236178322 344776648 /nfs/dbraw/zinc/77/66/48/344776648.db2.gz FIYFIGYAEILMKW-JGVFFNPUSA-N 0 0 194.259 2.459 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1Sc1ncc[nH]1 236176232 344776664 /nfs/dbraw/zinc/77/66/64/344776664.db2.gz GRFYAPDSWJNFSP-YUMQZZPRSA-N 0 0 193.275 2.194 10 30 AEEERN N#CCOc1ccc(NC2CC2)cc1 236214288 344777831 /nfs/dbraw/zinc/77/78/31/344777831.db2.gz FBTMHPQCKJQJQV-UHFFFAOYSA-N 0 0 188.230 2.163 10 30 AEEERN N#C[C@H]1CCC[C@H]1Sc1ncc[nH]1 236222272 344777864 /nfs/dbraw/zinc/77/78/64/344777864.db2.gz GRFYAPDSWJNFSP-HTQZYQBOSA-N 0 0 193.275 2.194 10 30 AEEERN N#CCOc1cccc(NC2CC2)c1 236215678 344777866 /nfs/dbraw/zinc/77/78/66/344777866.db2.gz IHCDVMXCDVUGMX-UHFFFAOYSA-N 0 0 188.230 2.163 10 30 AEEERN N#Cc1c(N)ccc(C2CC2)c1F 236344133 344781762 /nfs/dbraw/zinc/78/17/62/344781762.db2.gz AWUVKVKWIZDKIL-UHFFFAOYSA-N 0 0 176.194 2.157 10 30 AEEERN C=C(Cl)CC(=O)C(C)C 238188556 344795319 /nfs/dbraw/zinc/79/53/19/344795319.db2.gz YPFUZAKVPNYVST-UHFFFAOYSA-N 0 0 146.617 2.354 10 30 AEEERN CCc1cc(F)c(F)cc1C#N 238328871 344800873 /nfs/dbraw/zinc/80/08/73/344800873.db2.gz AOBFROBJCGTTII-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CCC[C@H](O)C#Cc1ccsc1 238260076 344797733 /nfs/dbraw/zinc/79/77/33/344797733.db2.gz RVGVVQVMMWKRLV-JTQLQIEISA-N 0 0 180.272 2.261 10 30 AEEERN CCOc1cc(C#N)c(F)cc1OC 238260318 344797740 /nfs/dbraw/zinc/79/77/40/344797740.db2.gz AZJDBQPCGZEVFN-UHFFFAOYSA-N 0 0 195.193 2.105 10 30 AEEERN CS[C@@H](C)CCC#N 238383494 344804239 /nfs/dbraw/zinc/80/42/39/344804239.db2.gz FOTGFNGOXMEVDP-LURJTMIESA-N 0 0 129.228 2.042 10 30 AEEERN COc1ccc(OC(F)F)cc1C#N 238385224 344804248 /nfs/dbraw/zinc/80/42/48/344804248.db2.gz APOGUJHYIMMSOA-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN C[C@H]1C[C@H](C=O)c2ccccc21 238437338 344806794 /nfs/dbraw/zinc/80/67/94/344806794.db2.gz SJOCQKOHZOYNPF-DTWKUNHWSA-N 0 0 160.216 2.476 10 30 AEEERN Cc1cccc2c1C(=O)O[C@@H]2CC#N 238448654 344807182 /nfs/dbraw/zinc/80/71/82/344807182.db2.gz XOVMJHUTDCUUNW-SECBINFHSA-N 0 0 187.198 2.120 10 30 AEEERN Cc1c(CC#N)cc(F)cc1[N+](=O)[O-] 238444832 344807193 /nfs/dbraw/zinc/80/71/93/344807193.db2.gz UJSXXKULUKHGPN-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C#CCCC(=O)[C@]1(C)C[C@@H]1C 238515857 344810594 /nfs/dbraw/zinc/81/05/94/344810594.db2.gz CPCNNCGXKCSMET-WCBMZHEXSA-N 0 0 150.221 2.015 10 30 AEEERN Cc1nc(CC#N)ccc1Cl 238519067 344810620 /nfs/dbraw/zinc/81/06/20/344810620.db2.gz NGPLLSMODJZJHH-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1nc(OC2CCC2)ccc1C#N 238526898 344810999 /nfs/dbraw/zinc/81/09/99/344810999.db2.gz JRZTZIMYPCLJCE-UHFFFAOYSA-N 0 0 188.230 2.193 10 30 AEEERN N#CCCCc1ccco1 238544774 344812124 /nfs/dbraw/zinc/81/21/24/344812124.db2.gz TZASWXZFWUNFTA-UHFFFAOYSA-N 0 0 135.166 2.126 10 30 AEEERN N#Cc1cc(F)cnc1C(F)(F)F 238576879 344813821 /nfs/dbraw/zinc/81/38/21/344813821.db2.gz IOVSCCSIFOSNDS-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN N#CCc1ccc2cc(N)ccc2c1 238619422 344815995 /nfs/dbraw/zinc/81/59/95/344815995.db2.gz TZDYYNDVIQGGIE-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN C=CCOc1cc(F)ccc1C=O 238627526 344816492 /nfs/dbraw/zinc/81/64/92/344816492.db2.gz IJJQKMRCGSFMBT-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN N#CCc1ccc2cccc(N)c2c1 238635284 344816701 /nfs/dbraw/zinc/81/67/01/344816701.db2.gz OMBWISXVCXVQOD-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN C=C(C#Cc1ccc(F)cc1)CCO 238636229 344816722 /nfs/dbraw/zinc/81/67/22/344816722.db2.gz CAJQCUVOCUYKKI-UHFFFAOYSA-N 0 0 190.217 2.116 10 30 AEEERN O=C[C@@H]1CC[C@H](c2ccccc2)O1 238649988 344817080 /nfs/dbraw/zinc/81/70/80/344817080.db2.gz JHQMLWJJIXAAPV-WDEREUQCSA-N 0 0 176.215 2.106 10 30 AEEERN N#CCc1cc(N)c(Cl)cc1F 238655239 344817091 /nfs/dbraw/zinc/81/70/91/344817091.db2.gz YVGCHVKCSKIYAM-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN O=C[C@@H]1CC[C@@H](c2ccccc2)O1 238649456 344817092 /nfs/dbraw/zinc/81/70/92/344817092.db2.gz JHQMLWJJIXAAPV-QWRGUYRKSA-N 0 0 176.215 2.106 10 30 AEEERN O=C[C@@H]1CC[C@H](C2CCCCC2)O1 238649921 344817105 /nfs/dbraw/zinc/81/71/05/344817105.db2.gz BPHKFXUYHNRPGY-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN O=C[C@@H]1CC[C@@H](C2CCCCC2)O1 238649381 344817106 /nfs/dbraw/zinc/81/71/06/344817106.db2.gz BPHKFXUYHNRPGY-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN N#CCc1cc(N)c2ccccc2c1 238655681 344817554 /nfs/dbraw/zinc/81/75/54/344817554.db2.gz JVCUZVUAZMDIOO-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN OCC#CCCCCc1ccccc1 238672579 344818090 /nfs/dbraw/zinc/81/80/90/344818090.db2.gz MXXZJHZINPIDCK-UHFFFAOYSA-N 0 0 188.270 2.395 10 30 AEEERN N#Cc1ccc(C(F)F)cc1O 238673526 344818094 /nfs/dbraw/zinc/81/80/94/344818094.db2.gz SGNQZTCLNRMKBT-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN C#C[C@@H](O)CCc1ccccc1Cl 238672032 344818104 /nfs/dbraw/zinc/81/81/04/344818104.db2.gz PGDXOWMKKLQMCM-SNVBAGLBSA-N 0 0 194.661 2.267 10 30 AEEERN [N-]=[N+]=Nc1nccc2c(C=O)c[nH]c12 238677107 344818591 /nfs/dbraw/zinc/81/85/91/344818591.db2.gz KSGCLUMBJZHUQA-UHFFFAOYSA-N 0 0 187.162 2.317 10 30 AEEERN N#Cc1ccc(Cl)c(N)c1Cl 238677079 344818652 /nfs/dbraw/zinc/81/86/52/344818652.db2.gz CZYLHDXVPYUTCD-UHFFFAOYSA-N 0 0 187.029 2.447 10 30 AEEERN N#C[C@]12CCCc3cccc(c31)[C@H](O)C2 238686701 344818992 /nfs/dbraw/zinc/81/89/92/344818992.db2.gz IMTLLKHNEKBWBW-DGCLKSJQSA-N 0 0 199.253 2.221 10 30 AEEERN CC[S@](=O)[C@@H]1CCCCC[C@H]1C#N 250257795 344831676 /nfs/dbraw/zinc/83/16/76/344831676.db2.gz XSGIOTSSFYARDL-CWSCBRNRSA-N 0 0 199.319 2.227 10 30 AEEERN ON=Cc1ccc(C2CC2)cc1 250258270 344831712 /nfs/dbraw/zinc/83/17/12/344831712.db2.gz RWFNTTZWXSKAAJ-UHFFFAOYSA-N 0 0 161.204 2.372 10 30 AEEERN CC[S@](=O)[C@H]1CCCCC[C@H]1C#N 250257798 344831737 /nfs/dbraw/zinc/83/17/37/344831737.db2.gz XSGIOTSSFYARDL-KWBADKCTSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)C[S@](=O)[C@@H]1CCC[C@H]1C#N 250567621 344836540 /nfs/dbraw/zinc/83/65/40/344836540.db2.gz NPKYEMNBBRRPDJ-CWSCBRNRSA-N 0 0 199.319 2.083 10 30 AEEERN CCN[C@]1(C#N)CCC[C@H](C)[C@H]1C 250655338 344838969 /nfs/dbraw/zinc/83/89/69/344838969.db2.gz PPMPFGQUZDCRAS-AXFHLTTASA-N 0 0 180.295 2.314 10 30 AEEERN CCN[C@]1(C#N)CC[C@H](C)C[C@H]1C 250767740 344840521 /nfs/dbraw/zinc/84/05/21/344840521.db2.gz YXWKCLRFMGBOTH-AXFHLTTASA-N 0 0 180.295 2.314 10 30 AEEERN CC(=NO)c1ccc(C)c(F)c1 251154870 344848156 /nfs/dbraw/zinc/84/81/56/344848156.db2.gz NHCGVFFSDYPROF-UHFFFAOYSA-N 0 0 167.183 2.332 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@H]1C(C)C 251200327 344848819 /nfs/dbraw/zinc/84/88/19/344848819.db2.gz GQWFHZHMYCAIBI-QWRGUYRKSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H]1CC[C@H]([C@@](C)(O)C=O)C[C@H]1C 251863344 344877475 /nfs/dbraw/zinc/87/74/75/344877475.db2.gz QAOQYPGTWAOPIJ-ZNSHCXBVSA-N 0 0 184.279 2.009 10 30 AEEERN C[C@H]1CCC[C@@H](N[C@H](C)C#N)[C@@H]1C 251990359 344883237 /nfs/dbraw/zinc/88/32/37/344883237.db2.gz ZHCVPUZLMPJCAQ-LNFKQOIKSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@@H]1CCN([C@H](C)C#N)[C@H](C)C1 252091647 344883912 /nfs/dbraw/zinc/88/39/12/344883912.db2.gz DSWAZUJSULBLJJ-OPRDCNLKSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@](C#N)(N(C)C)C1 252104801 344885451 /nfs/dbraw/zinc/88/54/51/344885451.db2.gz IUNFXFBEBBRYNR-URLYPYJESA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCCC[C@H]1C 252219386 344893278 /nfs/dbraw/zinc/89/32/78/344893278.db2.gz YPYRIPGKKGMWML-GMTAPVOTSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1C[C@H]1c1ccc(C=NO)o1 252391094 344894600 /nfs/dbraw/zinc/89/46/00/344894600.db2.gz VZUDSGVZOPMZEU-POYBYMJQSA-N 0 0 165.192 2.211 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)CCC[C@H]1C 252545772 344901425 /nfs/dbraw/zinc/90/14/25/344901425.db2.gz JSOXGUPUXAPWNH-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)([C@H](C)O)C1 252560128 344901673 /nfs/dbraw/zinc/90/16/73/344901673.db2.gz VPBYSQHUHURIDU-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCCC(=NO)CC1 252687104 344908384 /nfs/dbraw/zinc/90/83/84/344908384.db2.gz ZUSGBOURLAXKQR-ZETCQYMHSA-N 0 0 141.214 2.417 10 30 AEEERN CC#CCC[C@@H]1CC[C@H](O)[C@H]1C 252827314 344915461 /nfs/dbraw/zinc/91/54/61/344915461.db2.gz HWDDWAYNVVBAAK-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN CCC[C@H]1CCN([C@H](C)C#N)C1 252878429 344917889 /nfs/dbraw/zinc/91/78/89/344917889.db2.gz XEYCTRXESOFMHU-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H](C#N)N[C@H]1CC[C@H](C)CC1 253137979 344928292 /nfs/dbraw/zinc/92/82/92/344928292.db2.gz UVDOZXHOUBVRGI-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN CC(=NO)c1ccc2[nH]ccc2c1 254740306 344936343 /nfs/dbraw/zinc/93/63/43/344936343.db2.gz OVIMWMKWQSVUSE-UHFFFAOYSA-N 0 0 174.203 2.366 10 30 AEEERN N#Cc1cnc(Cl)c2ncccc12 256048661 344936810 /nfs/dbraw/zinc/93/68/10/344936810.db2.gz VFMCHEWZTFFGIF-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN CN(CC#N)CCC1CCCCC1 258674091 344945056 /nfs/dbraw/zinc/94/50/56/344945056.db2.gz ALIFUTKXEBYTGH-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN CC(=O)[C@H](C)c1ccccc1C#N 259950706 344952127 /nfs/dbraw/zinc/95/21/27/344952127.db2.gz GRXSRMDOUNRJLM-QMMMGPOBSA-N 0 0 173.215 2.251 10 30 AEEERN O=C1C=CC(=NO)C=C1c1ccccc1 257352390 344941421 /nfs/dbraw/zinc/94/14/21/344941421.db2.gz KYUXQFWLNBQMGH-UHFFFAOYSA-N 0 0 199.209 2.039 10 30 AEEERN CS[C@H]1CCCN([C@@H](C)C#N)CC1 300869648 345007553 /nfs/dbraw/zinc/00/75/53/345007553.db2.gz QKVBPKLFCOBYQE-UWVGGRQHSA-N 0 0 198.335 2.116 10 30 AEEERN O=CC[C@H]1CCCC(F)(F)C1 300796203 344999345 /nfs/dbraw/zinc/99/93/45/344999345.db2.gz ZXQQGRCBCDZAFX-SSDOTTSWSA-N 0 0 162.179 2.401 10 30 AEEERN CC(C)C1CCC([C@@H](N)C#N)CC1 306153071 345043884 /nfs/dbraw/zinc/04/38/84/345043884.db2.gz HKSSOHNXZORKBR-ILDUYXDCSA-N 0 0 180.295 2.300 10 30 AEEERN C[C@@H](C#N)N1CCC(C2CC2)CC1 306153792 345044489 /nfs/dbraw/zinc/04/44/89/345044489.db2.gz BALVSPDEHWCBPI-VIFPVBQESA-N 0 0 178.279 2.020 10 30 AEEERN Cc1ccc([C@H]2CC[C@](C)(C=O)O2)o1 306155812 345047005 /nfs/dbraw/zinc/04/70/05/345047005.db2.gz CDOMLZYGZBLNGK-GHMZBOCLSA-N 0 0 194.230 2.397 10 30 AEEERN N#CC1([C@@H]2CCCCC[C@@H]2O)CC1 306162481 345053652 /nfs/dbraw/zinc/05/36/52/345053652.db2.gz OBOLHVIQVGERIT-ZJUUUORDSA-N 0 0 179.263 2.231 10 30 AEEERN C=C(CC)CNc1snc(N)c1C 306177820 345068234 /nfs/dbraw/zinc/06/82/34/345068234.db2.gz OXRHRUBLVGPMGN-UHFFFAOYSA-N 0 0 197.307 2.412 10 30 AEEERN N#Cc1ccc(N2CCC2)c(Cl)c1 306177461 345068444 /nfs/dbraw/zinc/06/84/44/345068444.db2.gz PWMYWRWQCDHQAW-UHFFFAOYSA-N 0 0 192.649 2.422 10 30 AEEERN N#Cc1ccc(NCC2CCC2)o1 306177785 345068477 /nfs/dbraw/zinc/06/84/77/345068477.db2.gz OSMSTZKQDKPXID-UHFFFAOYSA-N 0 0 176.219 2.363 10 30 AEEERN C=C(CC)CNc1cc(C)cnn1 306182658 345074185 /nfs/dbraw/zinc/07/41/85/345074185.db2.gz XXDKPASQVZCGMO-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN O=C(C1=COCC1)c1cccs1 306186388 345076625 /nfs/dbraw/zinc/07/66/25/345076625.db2.gz SEQSOLSZNPLCFO-UHFFFAOYSA-N 0 0 180.228 2.235 10 30 AEEERN N#C[C@@]1(C/C=C/Cl)CCCCN1 306201789 345090397 /nfs/dbraw/zinc/09/03/97/345090397.db2.gz OVQJSPVRZIVVDT-SWTNXBIASA-N 0 0 184.670 2.165 10 30 AEEERN C1CCC2(CC1)CC[C@H]1O[C@H]12 306223771 345116298 /nfs/dbraw/zinc/11/62/98/345116298.db2.gz ZUXNPELMMAWUFG-RKDXNWHRSA-N 0 0 152.237 2.498 10 30 AEEERN O=C(C#Cc1ccccc1)CC1CC1 306231605 345125398 /nfs/dbraw/zinc/12/53/98/345125398.db2.gz BGKSTBXEIZMOBM-UHFFFAOYSA-N 0 0 184.238 2.407 10 30 AEEERN C=C(C(=O)C1CCC1)C(F)(F)F 306233096 345126663 /nfs/dbraw/zinc/12/66/63/345126663.db2.gz LBUJRWOKAAKQAH-UHFFFAOYSA-N 0 0 178.153 2.474 10 30 AEEERN N#CC1(C[C@@H]2CCOC2)CCC1 306258966 345149711 /nfs/dbraw/zinc/14/97/11/345149711.db2.gz SPJBRXFVHJTXOO-VIFPVBQESA-N 0 0 165.236 2.107 10 30 AEEERN Cc1sccc1[C@@H]1CC[C@@H](C=O)O1 306264272 345154298 /nfs/dbraw/zinc/15/42/98/345154298.db2.gz AAFJTRUEYVJGKW-WPRPVWTQSA-N 0 0 196.271 2.476 10 30 AEEERN C#CCCNc1ncc(Cl)s1 306277881 345164785 /nfs/dbraw/zinc/16/47/85/345164785.db2.gz OZSVPWTWLQCTNO-UHFFFAOYSA-N 0 0 186.667 2.232 10 30 AEEERN CO[C@H]1C/C(=C\C(C)=O)C12CCC2 306287460 345170746 /nfs/dbraw/zinc/17/07/46/345170746.db2.gz HKSDRLCMNCNQIJ-ZKXNXJMVSA-N 0 0 180.247 2.091 10 30 AEEERN CO[C@@H]1C/C(=C\C(C)=O)C12CCC2 306287459 345170758 /nfs/dbraw/zinc/17/07/58/345170758.db2.gz HKSDRLCMNCNQIJ-OLKPEBQYSA-N 0 0 180.247 2.091 10 30 AEEERN CC[C@@H](C#N)N1CCC(F)(F)CC1 306313139 345191799 /nfs/dbraw/zinc/19/17/99/345191799.db2.gz LJMUEOVMIMTKSM-QMMMGPOBSA-N 0 0 188.221 2.020 10 30 AEEERN C#C[C@@H](C)OC(=O)c1csc(C)c1 306299281 345179844 /nfs/dbraw/zinc/17/98/44/345179844.db2.gz DXVICMUPZDKVJM-SSDOTTSWSA-N 0 0 194.255 2.235 10 30 AEEERN CCCCNc1ccc(C)c(C#N)n1 306337779 345213003 /nfs/dbraw/zinc/21/30/03/345213003.db2.gz UNGXYQNZLITDAF-UHFFFAOYSA-N 0 0 189.262 2.474 10 30 AEEERN CC1(C[C@@]2(C#N)CCOC2)CCC1 306328038 345205296 /nfs/dbraw/zinc/20/52/96/345205296.db2.gz ZCWUTHHZEYLOPC-LLVKDONJSA-N 0 0 179.263 2.497 10 30 AEEERN CC1(C[C@]2(C#N)CCOC2)CCC1 306328039 345205316 /nfs/dbraw/zinc/20/53/16/345205316.db2.gz ZCWUTHHZEYLOPC-NSHDSACASA-N 0 0 179.263 2.497 10 30 AEEERN O=C[C@@H]1CCCC2(CCCCC2)O1 306348271 345221789 /nfs/dbraw/zinc/22/17/89/345221789.db2.gz GJVQQBLGAXRMAS-JTQLQIEISA-N 0 0 182.263 2.457 10 30 AEEERN C[C@@H](C#N)N1CCCC12CCCC2 306377595 345244380 /nfs/dbraw/zinc/24/43/80/345244380.db2.gz XINGRJXOBVJGKM-JTQLQIEISA-N 0 0 178.279 2.307 10 30 AEEERN N#Cc1ccc(NCCF)cc1F 306385787 345250890 /nfs/dbraw/zinc/25/08/90/345250890.db2.gz RPYQWAJZPVCINN-UHFFFAOYSA-N 0 0 182.173 2.079 10 30 AEEERN CC#CCCC(=O)C(C)(F)F 306427116 345284209 /nfs/dbraw/zinc/28/42/09/345284209.db2.gz XSFDZWJQMUGQDN-UHFFFAOYSA-N 0 0 160.163 2.014 10 30 AEEERN N#CC1(CC2CCC2)CCOCC1 306434257 345293865 /nfs/dbraw/zinc/29/38/65/345293865.db2.gz ZKBRKODBRGAFIQ-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN CC(=O)C1=C(C)N2CCCC=C2S1 306438282 345298209 /nfs/dbraw/zinc/29/82/09/345298209.db2.gz GCQGNUAMZSRPCJ-UHFFFAOYSA-N 0 0 195.287 2.491 10 30 AEEERN CC(C)(C#N)C[C@@H](O)C(C)(C)C 306449451 345309420 /nfs/dbraw/zinc/30/94/20/345309420.db2.gz MREHRWSTODHLOI-MRVPVSSYSA-N 0 0 169.268 2.333 10 30 AEEERN COC1(C=O)CCCCCCC1 306450528 345311100 /nfs/dbraw/zinc/31/11/00/345311100.db2.gz CNTPLNXLTUMNRW-UHFFFAOYSA-N 0 0 170.252 2.315 10 30 AEEERN COc1cc(/C(C)=N/O)ccc1C 306453208 345313202 /nfs/dbraw/zinc/31/32/02/345313202.db2.gz WQCUYYXOXMUOFO-DHZHZOJOSA-N 0 0 179.219 2.202 10 30 AEEERN CO[C@]1(C=O)CCC[C@H](C2CC2)C1 306470057 345332834 /nfs/dbraw/zinc/33/28/34/345332834.db2.gz QHVWXMPTCYFARA-WDEREUQCSA-N 0 0 182.263 2.171 10 30 AEEERN C=CCS[C@H]1CCCC1=O 306472724 345336413 /nfs/dbraw/zinc/33/64/13/345336413.db2.gz FVGLFNSDZIRSED-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN CO[C@@]1(C=O)CCC[C@H](C2CC2)C1 306470056 345332816 /nfs/dbraw/zinc/33/28/16/345332816.db2.gz QHVWXMPTCYFARA-QWRGUYRKSA-N 0 0 182.263 2.171 10 30 AEEERN Cc1occc1[C@@H]1CC[C@@H](C=O)O1 306485808 345355720 /nfs/dbraw/zinc/35/57/20/345355720.db2.gz NSTBCLAMNBDQRA-WPRPVWTQSA-N 0 0 180.203 2.007 10 30 AEEERN C[C@H](NC(C)(C)C#N)c1ccoc1 306493515 345366437 /nfs/dbraw/zinc/36/64/37/345366437.db2.gz ZGPOUZWZMHPPCC-QMMMGPOBSA-N 0 0 178.235 2.232 10 30 AEEERN C=C(C)CC(=O)NC1CCCCC1 306497141 345371151 /nfs/dbraw/zinc/37/11/51/345371151.db2.gz ZVZOMRMNEBSBDT-UHFFFAOYSA-N 0 0 181.279 2.402 10 30 AEEERN C[C@H]1[C@H](C)C[C@]12CCC[C@@H](C=O)O2 306500006 345373864 /nfs/dbraw/zinc/37/38/64/345373864.db2.gz XEVGZAAWNNJIHW-VPOLOUISSA-N 0 0 182.263 2.169 10 30 AEEERN CC(C)[C@@H]1CCC[C@H](CC#N)O1 306517535 345388955 /nfs/dbraw/zinc/38/89/55/345388955.db2.gz AMBPQLRBOOIPOJ-ZJUUUORDSA-N 0 0 167.252 2.494 10 30 AEEERN Cc1cc(F)c([N+](=O)[O-])cc1CC#N 306539779 345413967 /nfs/dbraw/zinc/41/39/67/345413967.db2.gz QVWDENGSGHBREZ-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C[C@@H]1CCN(C(C)(C)C#N)CCS1 306571916 345449093 /nfs/dbraw/zinc/44/90/93/345449093.db2.gz OKNBCQMXYCXEHG-SECBINFHSA-N 0 0 198.335 2.116 10 30 AEEERN Cc1cc(C)n(C[C@H](C#N)C(C)C)n1 306584325 345461529 /nfs/dbraw/zinc/46/15/29/345461529.db2.gz RPFJONAPVHAEIL-NSHDSACASA-N 0 0 191.278 2.296 10 30 AEEERN CC(=O)/C=C1\C[C@H](C)[C@@H]1C 306596318 345473043 /nfs/dbraw/zinc/47/30/43/345473043.db2.gz VAHSXOHBKYINQW-LATVTVHKSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1cc(C#N)ncc1C(F)(F)F 306609305 345483265 /nfs/dbraw/zinc/48/32/65/345483265.db2.gz XXVXTPRNJXSOLA-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN CC[C@H]1CC[C@H](C)[N@H+](CCC#N)C1 306612181 345486023 /nfs/dbraw/zinc/48/60/23/345486023.db2.gz IAASXCRTFVOEEP-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H](CC=O)C1CCC1 306616011 345489229 /nfs/dbraw/zinc/48/92/29/345489229.db2.gz PQWIPGHCJSIYPN-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN C[C@H](C#N)[C@@H](O)C1(C)CCCCC1 306637041 345505081 /nfs/dbraw/zinc/50/50/81/345505081.db2.gz BBMPUZSCEHQZRX-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)[C@H](O)C1(C)CCCCC1 306637045 345505687 /nfs/dbraw/zinc/50/56/87/345505687.db2.gz BBMPUZSCEHQZRX-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@]1(C2CCC2)CC(=O)C=CO1 306655183 345521178 /nfs/dbraw/zinc/52/11/78/345521178.db2.gz IEXMVBPHEHQGMV-SNVBAGLBSA-N 0 0 166.220 2.048 10 30 AEEERN CC(C)[C@]1(C)CCC[C@H](C=O)O1 306684551 345545800 /nfs/dbraw/zinc/54/58/00/345545800.db2.gz CYUGWZMZQWYUMJ-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN N#CCCCSCCCF 306669995 345531891 /nfs/dbraw/zinc/53/18/91/345531891.db2.gz GZNGBTRHPZTFBX-UHFFFAOYSA-N 0 0 161.245 2.383 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCCC1(F)F 306712264 345565080 /nfs/dbraw/zinc/56/50/80/345565080.db2.gz ORZHGNMNWFZJEC-HTQZYQBOSA-N 0 0 188.221 2.066 10 30 AEEERN C=C(C)C(=O)c1cc(C)ns1 306712092 345565083 /nfs/dbraw/zinc/56/50/83/345565083.db2.gz SZGOKZQYNBYGIL-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCCC1(F)F 306712276 345565114 /nfs/dbraw/zinc/56/51/14/345565114.db2.gz ORZHGNMNWFZJEC-SFYZADRCSA-N 0 0 188.221 2.066 10 30 AEEERN CC[C@@H](NC1=CC(=O)CC1)C1CCC1 306714729 345566935 /nfs/dbraw/zinc/56/69/35/345566935.db2.gz XGKNHSCYPKCSOW-GFCCVEGCSA-N 0 0 193.290 2.402 10 30 AEEERN CSC1([C@@H]2CC(=O)C=CO2)CCC1 306734334 345582591 /nfs/dbraw/zinc/58/25/91/345582591.db2.gz UTDMJLZBGPDODE-VIFPVBQESA-N 0 0 198.287 2.144 10 30 AEEERN O=C[C@]1(CCF)CCc2ccccc21 306735191 345582622 /nfs/dbraw/zinc/58/26/22/345582622.db2.gz VXAJZEFUHFXCLS-GFCCVEGCSA-N 0 0 192.233 2.429 10 30 AEEERN C[C@@H](F)CCNc1cc(C#N)ccn1 306785847 345613348 /nfs/dbraw/zinc/61/33/48/345613348.db2.gz OKZUPSFVSSQKDU-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN CC1(C)CC(Cl)(C#N)C1 306785745 345613364 /nfs/dbraw/zinc/61/33/64/345613364.db2.gz OITPELGDUYKOTA-UHFFFAOYSA-N 0 0 143.617 2.308 10 30 AEEERN N#Cc1c(C(F)(F)F)ccnc1F 306816457 345632957 /nfs/dbraw/zinc/63/29/57/345632957.db2.gz DKWKZIMXHKBCFG-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN Cc1cc(C(=O)[C@H](C)C#N)cs1 306846020 345653499 /nfs/dbraw/zinc/65/34/99/345653499.db2.gz JLIXWYXWHDMPHT-ZCFIWIBFSA-N 0 0 179.244 2.399 10 30 AEEERN O=C1C=C(C[C@@H]2CCOC2)CCC1 306873051 345672047 /nfs/dbraw/zinc/67/20/47/345672047.db2.gz WRJCGYZSYXTCAD-JTQLQIEISA-N 0 0 180.247 2.092 10 30 AEEERN C#CCOc1cc(F)c(F)c(F)c1 306881755 345678279 /nfs/dbraw/zinc/67/82/79/345678279.db2.gz MNMPALCGKDCJPJ-UHFFFAOYSA-N 0 0 186.132 2.116 10 30 AEEERN O=C1CCCC=C1c1ccc[nH]1 306893321 345688904 /nfs/dbraw/zinc/68/89/04/345688904.db2.gz YBSIJSSQPMZZQC-UHFFFAOYSA-N 0 0 161.204 2.151 10 30 AEEERN Cc1scc(C(=O)CC#N)c1C 306893675 345688912 /nfs/dbraw/zinc/68/89/12/345688912.db2.gz YKQFXEBLFVXSPQ-UHFFFAOYSA-N 0 0 179.244 2.461 10 30 AEEERN C/C=C/CNc1cc(C)ncc1C#N 306972795 345727285 /nfs/dbraw/zinc/72/72/85/345727285.db2.gz UVPMNERBQPBPCZ-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C[C@]1([C@@H]2CC(=O)C=CO2)CCCS1 306974767 345728626 /nfs/dbraw/zinc/72/86/26/345728626.db2.gz MPWUHJQSNMMKBZ-VHSXEESVSA-N 0 0 198.287 2.144 10 30 AEEERN C[C@@]1([C@H]2CC(=O)C=CO2)CCCS1 306974768 345728650 /nfs/dbraw/zinc/72/86/50/345728650.db2.gz MPWUHJQSNMMKBZ-ZJUUUORDSA-N 0 0 198.287 2.144 10 30 AEEERN CC(C)CN(C)c1ccncc1C#N 306974820 345728652 /nfs/dbraw/zinc/72/86/52/345728652.db2.gz MUOJENRWOMLXJY-UHFFFAOYSA-N 0 0 189.262 2.045 10 30 AEEERN O=C[C@H]1CC[C@H](c2ccccc2F)O1 306961242 345720480 /nfs/dbraw/zinc/72/04/80/345720480.db2.gz BHTXCBZFWQCROD-LDYMZIIASA-N 0 0 194.205 2.245 10 30 AEEERN C=C[C@@H](O)c1ccc(N)cc1Cl 306995180 345740638 /nfs/dbraw/zinc/74/06/38/345740638.db2.gz PQSIZIXEQVKIPM-SECBINFHSA-N 0 0 183.638 2.142 10 30 AEEERN C#CCNc1cscc1C 307034425 345768477 /nfs/dbraw/zinc/76/84/77/345768477.db2.gz MRSKRUPAENCMQB-UHFFFAOYSA-N 0 0 151.234 2.102 10 30 AEEERN C[C@@H](F)CCNc1ccc(C#N)nc1 307039736 345771945 /nfs/dbraw/zinc/77/19/45/345771945.db2.gz QGCGBVZOJYCNOF-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN CCOc1cc(C#N)cc(F)c1F 307051255 345779218 /nfs/dbraw/zinc/77/92/18/345779218.db2.gz NAJAQCPDOXTMMS-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN O=C(C1=COCC1)C1CCCC1 307060544 345785736 /nfs/dbraw/zinc/78/57/36/345785736.db2.gz JNHXLLAOEFQPSR-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CCc1cc([C@](C)(C#N)CC)ncn1 307065324 345789199 /nfs/dbraw/zinc/78/91/99/345789199.db2.gz QXLKSAOWXMVGON-NSHDSACASA-N 0 0 189.262 2.230 10 30 AEEERN Cc1nsc(NCCCF)c1C#N 307069209 345791763 /nfs/dbraw/zinc/79/17/63/345791763.db2.gz ZXEVJFRBCFBXKF-UHFFFAOYSA-N 0 0 199.254 2.095 10 30 AEEERN C[C@@](N)(C#N)[C@H]1CC2CCC1CC2 307085324 345801276 /nfs/dbraw/zinc/80/12/76/345801276.db2.gz XJTTUFJKTIUPQI-WFBLGPOFSA-N 0 0 178.279 2.054 10 30 AEEERN C[C@@](N)(C#N)[C@@H]1CC2CCC1CC2 307085317 345801295 /nfs/dbraw/zinc/80/12/95/345801295.db2.gz XJTTUFJKTIUPQI-JPPWEJMLSA-N 0 0 178.279 2.054 10 30 AEEERN C#CCNc1ccc2sncc2c1 307139199 345833370 /nfs/dbraw/zinc/83/33/70/345833370.db2.gz IMLAUDDWTZTMAQ-UHFFFAOYSA-N 0 0 188.255 2.341 10 30 AEEERN Cc1c(F)cccc1C(=O)CC#N 307092536 345805855 /nfs/dbraw/zinc/80/58/55/345805855.db2.gz RZALSALRXIUCSL-UHFFFAOYSA-N 0 0 177.178 2.231 10 30 AEEERN C=C[C@H]1OCc2ccccc21 21998404 204020154 /nfs/dbraw/zinc/02/01/54/204020154.db2.gz ILDNZTRIVHPVAU-SNVBAGLBSA-N 0 0 146.189 2.444 10 30 AEEERN C#C[C@H](C)Nc1ncc(C)cc1C 307167551 345859563 /nfs/dbraw/zinc/85/95/63/345859563.db2.gz RXZLMKAMTGXURW-JTQLQIEISA-N 0 0 174.247 2.132 10 30 AEEERN CC#C[C@H](O)c1cc2ccccc2o1 307188148 345875006 /nfs/dbraw/zinc/87/50/06/345875006.db2.gz AXYBZXPQJJNXPJ-JTQLQIEISA-N 0 0 186.210 2.490 10 30 AEEERN C#C[C@@H](O)[C@H]1CCC[C@@H](CC)C1 307224150 345902341 /nfs/dbraw/zinc/90/23/41/345902341.db2.gz SIWPHLZDNSHBCU-OUAUKWLOSA-N 0 0 166.264 2.197 10 30 AEEERN SC[C@@H]1Cc2ccccc21 307237908 345913611 /nfs/dbraw/zinc/91/36/11/345913611.db2.gz YCWHUVQVDRPAME-QMMMGPOBSA-N 0 0 150.246 2.256 10 30 AEEERN CO[C@@H](C#N)c1cccc(C)c1F 307244490 345918278 /nfs/dbraw/zinc/91/82/78/345918278.db2.gz LHHRPNFCOQKPBI-VIFPVBQESA-N 0 0 179.194 2.345 10 30 AEEERN S[C@H]1CCOC2(CCCC2)C1 307270987 345938486 /nfs/dbraw/zinc/93/84/86/345938486.db2.gz AXJHWTBGJPLEHR-QMMMGPOBSA-N 0 0 172.293 2.408 10 30 AEEERN CC(=O)c1ccc(F)c(F)c1C#N 307273308 345939760 /nfs/dbraw/zinc/93/97/60/345939760.db2.gz WCWWARHJNRTVRT-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN Cc1cc(F)c(CC#N)c([N+](=O)[O-])c1 307272947 345939809 /nfs/dbraw/zinc/93/98/09/345939809.db2.gz HAGPPHOUVDLNAE-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN N#Cc1ccnc(F)c1C(F)(F)F 307301394 345956574 /nfs/dbraw/zinc/95/65/74/345956574.db2.gz KNDNEFJOSSVYOE-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1[C@H](C#N)NC 307318187 345967963 /nfs/dbraw/zinc/96/79/63/345967963.db2.gz LVCKHBWCSVGOLA-VWYCJHECSA-N 0 0 180.295 2.314 10 30 AEEERN C#CCNCc1cscc1Cl 307314419 345965109 /nfs/dbraw/zinc/96/51/09/345965109.db2.gz IJCYNVMQMFCMQD-UHFFFAOYSA-N 0 0 185.679 2.124 10 30 AEEERN C#C[C@@H](C)N(C)c1cccc(Cl)n1 307311054 345963037 /nfs/dbraw/zinc/96/30/37/345963037.db2.gz BWOYGABHDKSROQ-MRVPVSSYSA-N 0 0 194.665 2.193 10 30 AEEERN C=C[C@@H](O)c1ccc(Cl)cc1N 307343600 345983732 /nfs/dbraw/zinc/98/37/32/345983732.db2.gz IZCHSVXLEZVLSC-SECBINFHSA-N 0 0 183.638 2.142 10 30 AEEERN CC1CN(Cc2ccc(C#N)s2)C1 307352283 345988726 /nfs/dbraw/zinc/98/87/26/345988726.db2.gz QTXSCJUFMGBVTD-UHFFFAOYSA-N 0 0 192.287 2.071 10 30 AEEERN C[C@](O)(CC#N)[C@H]1CC2CCC1CC2 307395335 346015251 /nfs/dbraw/zinc/01/52/51/346015251.db2.gz NMWHVFQWJAWGKT-QQFIATSDSA-N 0 0 193.290 2.477 10 30 AEEERN CCCc1cc(C(C)(C)C#N)ncn1 307399615 346017906 /nfs/dbraw/zinc/01/79/06/346017906.db2.gz XMQMNHMKAOWHRX-UHFFFAOYSA-N 0 0 189.262 2.230 10 30 AEEERN C#Cc1ccc(C=O)cc1Cl 307391851 346012856 /nfs/dbraw/zinc/01/28/56/346012856.db2.gz XJFDGKSRXVWADY-UHFFFAOYSA-N 0 0 164.591 2.134 10 30 AEEERN C[C@@H](F)CCNc1ncccc1C#N 307421168 346032179 /nfs/dbraw/zinc/03/21/79/346032179.db2.gz MIWJBZLDEHUUDX-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN C=CC(=O)c1ccc(N)cc1Cl 307445444 346045125 /nfs/dbraw/zinc/04/51/25/346045125.db2.gz FJHJYTYGGAICCY-UHFFFAOYSA-N 0 0 181.622 2.291 10 30 AEEERN C=CC(=O)c1cc(F)cc(OC)c1 307455097 346051173 /nfs/dbraw/zinc/05/11/73/346051173.db2.gz BZSKOVUFRRUWIF-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C#CCS[C@H](C)c1cnc(C)cn1 307458217 346052647 /nfs/dbraw/zinc/05/26/47/346052647.db2.gz ACSVJXPAKACJDP-SECBINFHSA-N 0 0 192.287 2.212 10 30 AEEERN CC[C@H](C)[C@]1(C)CC[C@H](C=O)O1 307468713 346058903 /nfs/dbraw/zinc/05/89/03/346058903.db2.gz MZLHISWJTGLGFN-AEJSXWLSSA-N 0 0 170.252 2.169 10 30 AEEERN N#C[C@]1(CC2CC2)CCCC1=O 307489431 346071205 /nfs/dbraw/zinc/07/12/05/346071205.db2.gz OVFTTZLYFJEARY-SNVBAGLBSA-N 0 0 163.220 2.049 10 30 AEEERN N#C[C@@]1(CC2CC2)CCCC1=O 307489430 346071242 /nfs/dbraw/zinc/07/12/42/346071242.db2.gz OVFTTZLYFJEARY-JTQLQIEISA-N 0 0 163.220 2.049 10 30 AEEERN CC#CCC[C@]1(C#N)CCCC1=O 307516781 346086857 /nfs/dbraw/zinc/08/68/57/346086857.db2.gz HNWGZRQPHSIIGF-LLVKDONJSA-N 0 0 175.231 2.053 10 30 AEEERN C=C(C)C(=O)CC1(C)CC1 307542258 346101840 /nfs/dbraw/zinc/10/18/40/346101840.db2.gz PVMYIVREJAJHIB-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CCSC[C@H]1CCCOC1 307559028 346112250 /nfs/dbraw/zinc/11/22/50/346112250.db2.gz FCFSFTDAYLDLRI-VIFPVBQESA-N 0 0 172.293 2.332 10 30 AEEERN C=CCSC[C@@H]1CCCOC1 307559027 346112310 /nfs/dbraw/zinc/11/23/10/346112310.db2.gz FCFSFTDAYLDLRI-SECBINFHSA-N 0 0 172.293 2.332 10 30 AEEERN CC1(C)CCC[C@@](O)(CCC=O)C1 307565403 346115982 /nfs/dbraw/zinc/11/59/82/346115982.db2.gz RJTSKFVJYSPFPA-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN Cc1cc(CN[C@@H](C)C#N)cs1 307605108 346142251 /nfs/dbraw/zinc/14/22/51/346142251.db2.gz XSCFUBGDECCSLP-ZETCQYMHSA-N 0 0 180.276 2.058 10 30 AEEERN N#C[C@@]1(CCC2CC2)CCOC1 307612353 346146598 /nfs/dbraw/zinc/14/65/98/346146598.db2.gz KRRGILVANCCJFL-SNVBAGLBSA-N 0 0 165.236 2.107 10 30 AEEERN Fc1cc(F)c(F)c(C[C@H]2CO2)c1 307585155 346129127 /nfs/dbraw/zinc/12/91/27/346129127.db2.gz KQGYURJQTXTFNI-ZETCQYMHSA-N 0 0 188.148 2.045 10 30 AEEERN S[C@H]1Nc2ccccc2S1 1433265 207350329 /nfs/dbraw/zinc/35/03/29/207350329.db2.gz PYVUUPVBIDIYPY-SSDOTTSWSA-N 0 0 169.274 2.418 10 30 in-vivo AEEERN CCC/C=C/C(=O)CC 5460778 207351522 /nfs/dbraw/zinc/35/15/22/207351522.db2.gz JPTOCTSNXXKSSN-VOTSOKGWSA-N 0 0 126.199 2.322 10 30 endogenous,in-man AEEERN N#CCCOCCc1ccccc1 26515924 207351825 /nfs/dbraw/zinc/35/18/25/207351825.db2.gz ACABGYHYBROWFT-UHFFFAOYSA-N 0 0 175.231 2.159 10 30 AEEERN CCCN[C@@H](C#N)C1CCCCC1 26516040 207351844 /nfs/dbraw/zinc/35/18/44/207351844.db2.gz APMYOGAEQZMCKB-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN Cc1ccccc1CN(C)[C@@H](C)C#N 44287248 207352163 /nfs/dbraw/zinc/35/21/63/207352163.db2.gz QCOIJYHXGBTEQT-NSHDSACASA-N 0 0 188.274 2.339 10 30 AEEERN Cc1ccccc1CN(C)[C@H](C)C#N 44287252 207352590 /nfs/dbraw/zinc/35/25/90/207352590.db2.gz QCOIJYHXGBTEQT-LLVKDONJSA-N 0 0 188.274 2.339 10 30 AEEERN Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2C)n1 52290812 207353195 /nfs/dbraw/zinc/35/31/95/207353195.db2.gz RYFBPXLUZVPOKS-OIBJUYFYSA-N 0 0 187.246 2.082 10 30 AEEERN CC/C=C/C/C=C\C(C)=O 100304348 207355048 /nfs/dbraw/zinc/35/50/48/207355048.db2.gz LXEYQCJEHJZVAR-HTKRNXBHSA-N 0 0 138.210 2.488 10 30 AEEERN O/N=C/c1nccc2ccccc12 307621597 346152870 /nfs/dbraw/zinc/15/28/70/346152870.db2.gz BNNLCFGFOMODGF-KPKJPENVSA-N 0 0 172.187 2.043 10 30 AEEERN CCc1cc(C(C)(C)C#N)ccn1 307677880 346177764 /nfs/dbraw/zinc/17/77/64/346177764.db2.gz MTNHIGGGNTYFIV-UHFFFAOYSA-N 0 0 174.247 2.445 10 30 AEEERN C=C(CC)C[C@]1(C#N)CCCCN1 307686916 346183537 /nfs/dbraw/zinc/18/35/37/346183537.db2.gz DESGYGSHIVSFIJ-NSHDSACASA-N 0 0 178.279 2.379 10 30 AEEERN Cc1cc(N=[N+]=[N-])c(C#N)cn1 307720468 346202255 /nfs/dbraw/zinc/20/22/55/346202255.db2.gz UFMTWSFECZQZMC-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN C[C@@H]1CCCC[C@@]12CC[C@@H](C=O)O2 307750463 346219552 /nfs/dbraw/zinc/21/95/52/346219552.db2.gz KDYYOZGEDYPXJT-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN CON=C1CC[C@H](C2CC2)C1 307917579 346234864 /nfs/dbraw/zinc/23/48/64/346234864.db2.gz CELLGQDDXZKUST-QMMMGPOBSA-N 0 0 153.225 2.199 10 30 AEEERN C=C[C@@H]1CC[C@H](O)[C@H](OCCC)C1 308171768 346266202 /nfs/dbraw/zinc/26/62/02/346266202.db2.gz WBKSXWUCPDFXMN-OUAUKWLOSA-N 0 0 184.279 2.129 10 30 AEEERN C/C=C\c1ccc(N)c(C#N)c1 308099121 346256055 /nfs/dbraw/zinc/25/60/55/346256055.db2.gz FSDPVQAMZGVMIN-IHWYPQMZSA-N 0 0 158.204 2.174 10 30 AEEERN CCCN(C)c1c(C#N)cccc1C#N 335792910 346420320 /nfs/dbraw/zinc/42/03/20/346420320.db2.gz BBEOAPSPIOJZEP-UHFFFAOYSA-N 0 0 199.257 2.276 10 30 AEEERN C=CCCC(=O)NCCCC1CC1 379396306 346515759 /nfs/dbraw/zinc/51/57/59/346515759.db2.gz CRFMCIYCZAQJNP-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN CC(=NN)c1c(C)cc(C)cc1C 393548528 346578475 /nfs/dbraw/zinc/57/84/75/346578475.db2.gz LKVJOMNDIMYFSA-UHFFFAOYSA-N 0 0 176.263 2.295 10 30 AEEERN CC(=NOC1CCC1)c1cncs1 393719213 346582705 /nfs/dbraw/zinc/58/27/05/346582705.db2.gz ATAXYPDBTQUZCY-UHFFFAOYSA-N 0 0 196.275 2.436 10 30 AEEERN C=CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403399275 346635785 /nfs/dbraw/zinc/63/57/85/346635785.db2.gz UFMINEHETWCEOI-GMTAPVOTSA-N 0 0 193.290 2.115 10 30 AEEERN O=CC[C@@H]1CC[C@H]2C[C@H]2C1 403667478 346637785 /nfs/dbraw/zinc/63/77/85/346637785.db2.gz UKJDNPJVEWIWON-XHNCKOQMSA-N 0 0 138.210 2.012 10 30 AEEERN CC(=O)/C(C)=C/c1cc(C)ns1 404478261 346644982 /nfs/dbraw/zinc/64/49/82/346644982.db2.gz ULDHQLBILQZIFF-GQCTYLIASA-N 0 0 181.260 2.444 10 30 AEEERN O=C(C1=CCCCC1)C1CSC1 405075736 346657074 /nfs/dbraw/zinc/65/70/74/346657074.db2.gz IKNXCXVOFHHCKI-UHFFFAOYSA-N 0 0 182.288 2.419 10 30 AEEERN O=CC1([C@@H]2CCSC2)CCC1 405236350 346660513 /nfs/dbraw/zinc/66/05/13/346660513.db2.gz DUEZTKUEXJXOPO-MRVPVSSYSA-N 0 0 170.277 2.109 10 30 AEEERN CC[C@@](C)(C=O)[C@H]1CCSC1 405239685 346660810 /nfs/dbraw/zinc/66/08/10/346660810.db2.gz GWIMQWAFRIFYBW-IUCAKERBSA-N 0 0 172.293 2.355 10 30 AEEERN N#CCn1ccc(-c2cccs2)n1 409438400 346702378 /nfs/dbraw/zinc/70/23/78/346702378.db2.gz DEHCCUXHALUGIR-UHFFFAOYSA-N 0 0 189.243 2.135 10 30 AEEERN N#CCCc1c[nH]nc1-c1ccoc1 409439971 346704526 /nfs/dbraw/zinc/70/45/26/346704526.db2.gz LFDYQJGFUNOXHN-UHFFFAOYSA-N 0 0 187.202 2.126 10 30 AEEERN C=C[C@@H]1N=C1c1ccccc1 584631752 346736007 /nfs/dbraw/zinc/73/60/07/346736007.db2.gz SOODTNXNCJUEIF-VIFPVBQESA-N 0 0 143.189 2.044 10 30 AEEERN N#CC(=O)/C=C/c1cccc(Cl)c1 584609876 346726067 /nfs/dbraw/zinc/72/60/67/346726067.db2.gz KCMOALKVVCRUIC-SNAWJCMRSA-N 0 0 191.617 2.446 10 30 AEEERN CCCC#C[C@@H](O)c1ccccc1N 584612995 346728498 /nfs/dbraw/zinc/72/84/98/346728498.db2.gz GSLUYJXCRCSPAS-GFCCVEGCSA-N 0 0 189.258 2.106 10 30 AEEERN C=CC/C(=N/O)c1cccc(OC)c1 584613346 346728500 /nfs/dbraw/zinc/72/85/00/346728500.db2.gz KUTZZQUBIBYTFY-QXMHVHEDSA-N 0 0 191.230 2.450 10 30 AEEERN COc1ccc(-n2ccc(C#N)c2)cc1 584613403 346728502 /nfs/dbraw/zinc/72/85/02/346728502.db2.gz IOZSSOYPZRMELK-UHFFFAOYSA-N 0 0 198.225 2.358 10 30 AEEERN CCCC#C[C@H](O)c1ccccc1N 584612996 346728503 /nfs/dbraw/zinc/72/85/03/346728503.db2.gz GSLUYJXCRCSPAS-LBPRGKRZSA-N 0 0 189.258 2.106 10 30 AEEERN CC(C)c1noc([C@@H](C)CC#N)n1 594734243 346851482 /nfs/dbraw/zinc/85/14/82/346851482.db2.gz UIVMFWAKNDFQGT-ZETCQYMHSA-N 0 0 179.223 2.210 10 30 AEEERN CC(C)=CCCn1ccnc1C#N 594893860 346853280 /nfs/dbraw/zinc/85/32/80/346853280.db2.gz LXYYGDOJPQFGQD-UHFFFAOYSA-N 0 0 175.235 2.111 10 30 AEEERN C[C@@]1(C#N)CCN(Cc2ccco2)C1 597229476 346885390 /nfs/dbraw/zinc/88/53/90/346885390.db2.gz LJSYOVCXUYOBCO-NSHDSACASA-N 0 0 190.246 2.015 10 30 AEEERN CC1(C)CC(n2ccnc2C#N)C1 601080516 346921854 /nfs/dbraw/zinc/92/18/54/346921854.db2.gz RIRLVXNOBPQMAL-UHFFFAOYSA-N 0 0 175.235 2.116 10 30 AEEERN CC1(C)CO[C@@H](CSCCC#N)C1 601083798 346922006 /nfs/dbraw/zinc/92/20/06/346922006.db2.gz NOWNLVILJGXMQC-SECBINFHSA-N 0 0 199.319 2.448 10 30 AEEERN C=CCCC(=O)N(C)c1cccnc1 603808967 346958649 /nfs/dbraw/zinc/95/86/49/346958649.db2.gz DXWKGZQMWXTEHG-UHFFFAOYSA-N 0 0 190.246 2.011 10 30 AEEERN CCCC1CC(C#N)C1 606302465 346977615 /nfs/dbraw/zinc/97/76/15/346977615.db2.gz MNONWBNPSMGWIR-UHFFFAOYSA-N 0 0 123.199 2.336 10 30 AEEERN C=CCCN1CCOc2ccccc21 606895850 346984997 /nfs/dbraw/zinc/98/49/97/346984997.db2.gz ALBRJPYXZOVVMT-UHFFFAOYSA-N 0 0 189.258 2.462 10 30 AEEERN CC#CCN(CC)Cc1ccoc1 607728805 346993450 /nfs/dbraw/zinc/99/34/50/346993450.db2.gz BFMJMZLNVUXKOI-UHFFFAOYSA-N 0 0 177.247 2.125 10 30 AEEERN CCC[C@H](C)CN1CC[C@](F)(C#N)C1 615651074 347082572 /nfs/dbraw/zinc/08/25/72/347082572.db2.gz PDAISVYMMYWTCN-QWRGUYRKSA-N 0 0 198.285 2.360 10 30 AEEERN C=CC[C@@H](CC)NC(=O)NC/C=C\C 623990509 347268598 /nfs/dbraw/zinc/26/85/98/347268598.db2.gz FLDWSYKOJOVSKT-ISGFRBBESA-N 0 0 196.294 2.216 10 30 AEEERN C=CC[C@H](CC)NC(=O)C12CC(C1)C2 626852057 347302338 /nfs/dbraw/zinc/30/23/38/347302338.db2.gz ZPGIOJWLWXQJLE-YZRBJQDESA-N 0 0 193.290 2.257 10 30 AEEERN C=CCCCN(C)C(=O)NC/C=C/C 624827237 347283216 /nfs/dbraw/zinc/28/32/16/347283216.db2.gz XLPWVIHYFYGUOY-FNORWQNLSA-N 0 0 196.294 2.170 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 628482785 347319620 /nfs/dbraw/zinc/31/96/20/347319620.db2.gz YPUOWHRJVSSBKO-GMTAPVOTSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCC(C)(C)C(=O)NC/C=C/C 629031791 347326095 /nfs/dbraw/zinc/32/60/95/347326095.db2.gz GYYKRPNORYRBMU-FNORWQNLSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCC(C)(C)C(=O)NC/C=C\C 629031790 347326108 /nfs/dbraw/zinc/32/61/08/347326108.db2.gz GYYKRPNORYRBMU-ALCCZGGFSA-N 0 0 181.279 2.281 10 30 AEEERN C=C1CC(C)(C(=O)N2CC(CC)C2)C1 633384260 347402329 /nfs/dbraw/zinc/40/23/29/347402329.db2.gz STULOEFHGJGEAO-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=CCN(C)c1ccsc1 639733533 347533546 /nfs/dbraw/zinc/53/35/46/347533546.db2.gz HRSUHFQJVNQMNF-UHFFFAOYSA-N 0 0 153.250 2.370 10 30 AEEERN C=CCNC(=O)N(CC)CC(C)(C)C 642936831 347605618 /nfs/dbraw/zinc/60/56/18/347605618.db2.gz WWGIPSXCPVYYFJ-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN CCCC#Cc1ccnc(F)c1 39088988 219805907 /nfs/dbraw/zinc/80/59/07/219805907.db2.gz DCLRQVZHKMPYNG-UHFFFAOYSA-N 0 0 163.195 2.372 10 30 AEEERN O=C[C@H](O)c1cccc2ccccc12 34346872 351438974 /nfs/dbraw/zinc/43/89/74/351438974.db2.gz LTIVHPGXNRQHMY-LBPRGKRZSA-N 0 0 186.210 2.072 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(C#N)c1 44427834 351538970 /nfs/dbraw/zinc/53/89/70/351538970.db2.gz CICPOSDHGRUANK-JTQLQIEISA-N 0 0 186.214 2.239 10 30 AEEERN Cc1cc(C#N)cc(C(F)(F)F)n1 259674598 351877565 /nfs/dbraw/zinc/87/75/65/351877565.db2.gz LPOIDJZVLLGHHA-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN N#CCc1nc([C@@H]2CCCO2)cs1 260200824 351884341 /nfs/dbraw/zinc/88/43/41/351884341.db2.gz NFKDMJNKZNNJSO-QMMMGPOBSA-N 0 0 194.259 2.061 10 30 AEEERN C[C@@H](C1CCCCC1)[C@@H](N)C#N 260946943 351887225 /nfs/dbraw/zinc/88/72/25/351887225.db2.gz OQODVCGUHKZTAN-WPRPVWTQSA-N 0 0 166.268 2.054 10 30 AEEERN Cc1ccc(NCCCC#N)nc1 261158487 351889617 /nfs/dbraw/zinc/88/96/17/351889617.db2.gz VTFOFEAXIOGSPM-UHFFFAOYSA-N 0 0 175.235 2.106 10 30 AEEERN CCOc1c(F)cc(C)cc1C#N 261220691 351890457 /nfs/dbraw/zinc/89/04/57/351890457.db2.gz NGGFBRBWYZBWMQ-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN C[C@@H](S)c1nccn1C1CC1 95089572 351668382 /nfs/dbraw/zinc/66/83/82/351668382.db2.gz JWIWDXINCDFODS-ZCFIWIBFSA-N 0 0 168.265 2.209 10 30 AEEERN C=C(C)CN(C)c1ncc(C)s1 306367742 351924042 /nfs/dbraw/zinc/92/40/42/351924042.db2.gz BLTNTJKQEKOFEQ-UHFFFAOYSA-N 0 0 182.292 2.464 10 30 AEEERN CC(C)(C#N)N1C[C@@H]2CCC[C@H]2C1 306506728 351939956 /nfs/dbraw/zinc/93/99/56/351939956.db2.gz WBOFPKRNRVPHQD-UWVGGRQHSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@H]1CCN([C@H](C)C#N)CC1(C)C 306645019 351953029 /nfs/dbraw/zinc/95/30/29/351953029.db2.gz BDDJXUSYZLIOGQ-VHSXEESVSA-N 0 0 180.295 2.266 10 30 AEEERN C=C1CCN(c2nc(C)ns2)CC1 306644576 351953032 /nfs/dbraw/zinc/95/30/32/351953032.db2.gz AWSRQZMQTGILNE-UHFFFAOYSA-N 0 0 195.291 2.003 10 30 AEEERN CC[C@H]1CCCN(C(C)(C)C#N)C1 306646568 351953061 /nfs/dbraw/zinc/95/30/61/351953061.db2.gz CZTCFTRNOHBAKY-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1CC(C)C1 308312266 352048730 /nfs/dbraw/zinc/04/87/30/352048730.db2.gz SEWKWUKDKYHVRO-LLVKDONJSA-N 0 0 181.279 2.067 10 30 AEEERN C=CC(C)(C)C(=O)N[C@H]1CC[C@H]1C 334650744 352078239 /nfs/dbraw/zinc/07/82/39/352078239.db2.gz IVLVNMJOHMIRNG-BDAKNGLRSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(CC)CNC(=O)N1[C@@H](C)C[C@H]1C 335580654 352104775 /nfs/dbraw/zinc/10/47/75/352104775.db2.gz PRQKBVXYSPRBHY-AOOOYVTPSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(CC)CNC(=O)N1[C@@H](C)C[C@@H]1C 335580656 352104777 /nfs/dbraw/zinc/10/47/77/352104777.db2.gz PRQKBVXYSPRBHY-UWVGGRQHSA-N 0 0 196.294 2.145 10 30 AEEERN O=C(/C=C/Cl)c1ccc(F)cn1 575464356 352258470 /nfs/dbraw/zinc/25/84/70/352258470.db2.gz FGZFYKASDDPKIR-ONEGZZNKSA-N 0 0 185.585 2.156 10 30 AEEERN CC(C)(C=O)[C@H]1CCCC[C@]1(C)O 575498653 352395808 /nfs/dbraw/zinc/39/58/08/352395808.db2.gz SDQVDFQQKBRJSO-KOLCDFICSA-N 0 0 184.279 2.153 10 30 AEEERN O=C(/C=C/Cl)[C@]12CCC[C@H]1C2 575521076 352515591 /nfs/dbraw/zinc/51/55/91/352515591.db2.gz MTDZQGSJFPFRBC-AUQQLDAUSA-N 0 0 170.639 2.498 10 30 AEEERN O=C(/C=C/Cl)[C@H]1C[C@@H]1C1CC1 575522140 352520731 /nfs/dbraw/zinc/52/07/31/352520731.db2.gz YOBXQNUNCVOHPP-ZGNIKFQOSA-N 0 0 170.639 2.354 10 30 AEEERN C/C=C/C(=O)[C@@]1(C)CCCCO1 575550819 352639685 /nfs/dbraw/zinc/63/96/85/352639685.db2.gz USGFOAUPXFIUSH-QLCVYAKKSA-N 0 0 168.236 2.091 10 30 AEEERN NC(=NO)c1cc2cscc2s1 575569815 352722413 /nfs/dbraw/zinc/72/24/13/352722413.db2.gz HWYHYRBAQDEGLA-UHFFFAOYSA-N 0 0 198.272 2.057 10 30 AEEERN CCc1cc(F)cc(C#N)c1CC#N 575643810 352871732 /nfs/dbraw/zinc/87/17/32/352871732.db2.gz AWHCLAUFCFVIIX-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(F)cc(CC#N)c1C#N 575643601 352871751 /nfs/dbraw/zinc/87/17/51/352871751.db2.gz AGTPBWCIRVJPMJ-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(C)c(CC#N)c(C#N)c1 575649292 352878881 /nfs/dbraw/zinc/87/88/81/352878881.db2.gz UZUSZSWQZRMILN-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCOc1cc(C)c(F)c(C#N)c1 575670191 352884638 /nfs/dbraw/zinc/88/46/38/352884638.db2.gz GCFZIYXMIPUNMS-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1c(F)cc(C#N)cc1[N+](=O)[O-] 575671024 352885247 /nfs/dbraw/zinc/88/52/47/352885247.db2.gz PAWXSAICZFETAC-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(C#N)cc(F)c1[N+](=O)[O-] 575670825 352885248 /nfs/dbraw/zinc/88/52/48/352885248.db2.gz NAKYXHLYCRUINJ-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1c([N+](=O)[O-])ccc(C#N)c1F 575670848 352885251 /nfs/dbraw/zinc/88/52/51/352885251.db2.gz NLALHDDZGRHIMQ-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1c(C)ccc(C#N)c1F 575670614 352885252 /nfs/dbraw/zinc/88/52/52/352885252.db2.gz OZZCFFLUPWFFTF-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1c(F)ccc(C#N)c1C 575671090 352885255 /nfs/dbraw/zinc/88/52/55/352885255.db2.gz TYCFOGBBUOJMCD-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C)cc(C#N)c1F 575670615 352885257 /nfs/dbraw/zinc/88/52/57/352885257.db2.gz PAIDBKMHAVMSOS-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(O)c(CC)cc1C#N 575671097 352885270 /nfs/dbraw/zinc/88/52/70/352885270.db2.gz UDZRGCUHGJMFRS-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1ccc(F)c(C)c1C#N 575671086 352885275 /nfs/dbraw/zinc/88/52/75/352885275.db2.gz TXJJZUPPIVKEDQ-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN COc1c(F)ccc(CC#N)c1C 575708823 352892560 /nfs/dbraw/zinc/89/25/60/352892560.db2.gz WKYUOUFHXAIQPG-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN CCOc1cc(F)c(C)c(C#N)c1 575671555 352886116 /nfs/dbraw/zinc/88/61/16/352886116.db2.gz YXRUWWQKFLREAS-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1cc(OC)c(C#N)c(OC)c1 575672045 352886117 /nfs/dbraw/zinc/88/61/17/352886117.db2.gz VFKQTSORMKRXOM-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCOc1c(C#N)ccc(F)c1C 575671489 352886123 /nfs/dbraw/zinc/88/61/23/352886123.db2.gz YDEILQOEQFUKQZ-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1cc(OC)cc(C#N)c1OC 575671778 352886124 /nfs/dbraw/zinc/88/61/24/352886124.db2.gz OEUVPHUJQCLUNE-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCOc1cc(F)cc(C#N)c1C 575671658 352886133 /nfs/dbraw/zinc/88/61/33/352886133.db2.gz ZXHVLUULFMIIJJ-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1ccc(C#N)c(OC)c1OC 575671826 352886140 /nfs/dbraw/zinc/88/61/40/352886140.db2.gz OYQPWDXEOAJRII-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1c(F)ccc([N+](=O)[O-])c1C#N 575671722 352886143 /nfs/dbraw/zinc/88/61/43/352886143.db2.gz VPSXZFPCXXQKAD-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1c(C#N)cc(O)cc1CC 575671595 352886150 /nfs/dbraw/zinc/88/61/50/352886150.db2.gz ZKEWPCPGYRVPSQ-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1cc(C)c(C#N)cc1F 575671552 352886156 /nfs/dbraw/zinc/88/61/56/352886156.db2.gz YRRNNNVBAGMHIM-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1c(C)cc(C#N)cc1F 575671371 352886161 /nfs/dbraw/zinc/88/61/61/352886161.db2.gz XACJSVGMTJRSHO-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1ccc(C#N)c(F)c1[N+](=O)[O-] 575671728 352886163 /nfs/dbraw/zinc/88/61/63/352886163.db2.gz VVGROJKBFWEYLS-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1c(C#N)cc(F)cc1[N+](=O)[O-] 575671414 352886165 /nfs/dbraw/zinc/88/61/65/352886165.db2.gz RRHFFIKEPXWBPO-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(F)cc([N+](=O)[O-])c1C#N 575671565 352886173 /nfs/dbraw/zinc/88/61/73/352886173.db2.gz UOWQVJBCUXBAKW-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN C=CCNC(=O)NC1(CC)CCCC1 654853171 409398510 /nfs/dbraw/zinc/39/85/10/409398510.db2.gz OLSLQPQOJYSDEH-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN CCCOCOc1cccc(C#N)c1 530094802 267026476 /nfs/dbraw/zinc/02/64/76/267026476.db2.gz HQXNROJESGCBKH-UHFFFAOYSA-N 0 0 191.230 2.321 10 30 AEEERN C[C@@H]1CC[C@@H]2N=C(C#N)S[C@@H]2C1 238445316 267027076 /nfs/dbraw/zinc/02/70/76/267027076.db2.gz HKHUDIOTWQLDRM-GJMOJQLCSA-N 0 0 180.276 2.212 10 30 AEEERN C[C@@H]1CC[C@@H]2N=C(C#N)S[C@H]2C1 307683572 267027366 /nfs/dbraw/zinc/02/73/66/267027366.db2.gz HKHUDIOTWQLDRM-CSMHCCOUSA-N 0 0 180.276 2.212 10 30 AEEERN C[C@@H]1CC[C@H]2N=C(C#N)S[C@H]2C1 307683573 267031726 /nfs/dbraw/zinc/03/17/26/267031726.db2.gz HKHUDIOTWQLDRM-PRJMDXOYSA-N 0 0 180.276 2.212 10 30 AEEERN C[C@@H]1CC[C@H]2N=C(C#N)S[C@@H]2C1 238410680 267032353 /nfs/dbraw/zinc/03/23/53/267032353.db2.gz HKHUDIOTWQLDRM-BWZBUEFSSA-N 0 0 180.276 2.212 10 30 AEEERN Cc1cc(C)c([N+](=O)[O-])c(C#N)c1 307522842 269911620 /nfs/dbraw/zinc/91/16/20/269911620.db2.gz CHYFSKPFYZJAHB-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 AEEERN C=CC(=C)CC/C=C(\C)CO 14592258 290740562 /nfs/dbraw/zinc/74/05/62/290740562.db2.gz IEVYLQISZQFFGA-JXMROGBWSA-N 0 0 152.237 2.447 10 30 endogenous,in-man AEEERN CC(C)=C[C@H]1[C@@H](C=O)C1(C)C 13512638 290740855 /nfs/dbraw/zinc/74/08/55/290740855.db2.gz NQLKPDBZZUIQGM-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 biogenic,in-vitro AEEERN CC(C)[C@@H]1C=C[C@@]2(C)O[C@H]2C1 256067608 290741346 /nfs/dbraw/zinc/74/13/46/290741346.db2.gz YYOYQZIEGSUHQG-KXUCPTDWSA-N 0 0 152.237 2.376 10 30 biogenic AEEERN CC1=CC(=O)CC(C)(C)C=C1 14822333 290741653 /nfs/dbraw/zinc/74/16/53/290741653.db2.gz ZANCPCGYQSRSLK-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 biogenic,in-vitro AEEERN CC1(C)[C@@H]2CC[C@H](C=O)[C@H]1C2 34566860 290741661 /nfs/dbraw/zinc/74/16/61/290741661.db2.gz OOCLVMCVOWKECB-IWSPIJDZSA-N 0 0 152.237 2.258 10 30 biogenic,in-vitro AEEERN c1ccc(C/N=C2/CCCO2)cc1 34310583 325599237 /nfs/dbraw/zinc/59/92/37/325599237.db2.gz PIUXCTSTOCPAHB-QXMHVHEDSA-N 0 0 175.231 2.396 10 30 AEEERN C(#C[C@H]1CCCO1)Cc1ccccc1 95910017 325612924 /nfs/dbraw/zinc/61/29/24/325612924.db2.gz HOWWJRHBQZWPKM-ZDUSSCGKSA-N 0 0 186.254 2.412 10 30 biogenic,in-vitro AEEERN C=C(Cl)C(C)(C)C(=O)OCC 167298845 325625707 /nfs/dbraw/zinc/62/57/07/325625707.db2.gz UZOMWRNSIOTCEM-UHFFFAOYSA-N 0 0 176.643 2.328 10 30 AEEERN N#C[C@H]1C=C(F)CCC1 238670886 325633019 /nfs/dbraw/zinc/63/30/19/325633019.db2.gz MNGXSKGDFAMKJG-ZCFIWIBFSA-N 0 0 125.146 2.163 10 30 AEEERN C(#C[C@@H]1CCCO1)Cc1ccccc1 238740310 325633355 /nfs/dbraw/zinc/63/33/55/325633355.db2.gz HOWWJRHBQZWPKM-CYBMUJFWSA-N 0 0 186.254 2.412 10 30 in-vitro AEEERN Cl/C(=N/C1CC1)c1ccco1 306948071 325640022 /nfs/dbraw/zinc/64/00/22/325640022.db2.gz RNVUOZYVKQKESC-CSKARUKUSA-N 0 0 169.611 2.427 10 30 AEEERN CC1(C#N)CN(Cc2ccccc2)C1 335730701 325642315 /nfs/dbraw/zinc/64/23/15/325642315.db2.gz GDOCATLNNRENOX-UHFFFAOYSA-N 0 0 186.258 2.032 10 30 AEEERN C=C(C)c1cnc2c(c1)CCCO2 527589629 325648282 /nfs/dbraw/zinc/64/82/82/325648282.db2.gz YFSABZUXZLLITE-UHFFFAOYSA-N 0 0 175.231 2.440 10 30 AEEERN C=CC(C)(C)CCNc1cnccn1 528072087 325655726 /nfs/dbraw/zinc/65/57/26/325655726.db2.gz BKKCASXUNCOMQJ-UHFFFAOYSA-N 0 0 191.278 2.491 10 30 AEEERN CC#CCN1CCC[C@H]1C(F)(F)F 528671928 325659736 /nfs/dbraw/zinc/65/97/36/325659736.db2.gz VWMDJOSWUUOSAB-QMMMGPOBSA-N 0 0 191.196 2.036 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCCC12CC2 529069258 325660833 /nfs/dbraw/zinc/66/08/33/325660833.db2.gz PDUHXQSVVDNYNG-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCCC12CC2 529069209 325660956 /nfs/dbraw/zinc/66/09/56/325660956.db2.gz DQYDAXMHZGDIJQ-JTQLQIEISA-N 0 0 193.290 2.259 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCCC12CC2 529069256 325661003 /nfs/dbraw/zinc/66/10/03/325661003.db2.gz PDUHXQSVVDNYNG-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)Cn1ccnc1C1CC1 530128840 325664061 /nfs/dbraw/zinc/66/40/61/325664061.db2.gz DGCJEOXUSUOJRC-UHFFFAOYSA-N 0 0 162.236 2.337 10 30 AEEERN C=C1CCC(C(=C)CO)CC1 2011501 342966456 /nfs/dbraw/zinc/96/64/56/342966456.db2.gz SDDQNZKSVASSFO-UHFFFAOYSA-N 0 0 152.237 2.281 10 30 AEEERN CC/C=C(\C)C(=O)CC 2015595 342966826 /nfs/dbraw/zinc/96/68/26/342966826.db2.gz BDBHRHLQMIKKIB-VOTSOKGWSA-N 0 0 126.199 2.322 10 30 AEEERN Cc1cccc(C)c1[C@H](C#N)C=O 26128 342923982 /nfs/dbraw/zinc/92/39/82/342923982.db2.gz GBHRIWDDGPAJBP-SNVBAGLBSA-N 0 0 173.215 2.110 10 30 AEEERN O=C1C=C(NCc2ccccc2)CC1 18991 342924175 /nfs/dbraw/zinc/92/41/75/342924175.db2.gz NPBZVNCHUSDMNG-UHFFFAOYSA-N 0 0 187.242 2.023 10 30 AEEERN Cc1cc(C)c(C#N)c(OC(C)C)n1 75102 342925804 /nfs/dbraw/zinc/92/58/04/342925804.db2.gz QCYRARPWKZTMGE-UHFFFAOYSA-N 0 0 190.246 2.357 10 30 AEEERN Cc1cc(/N=C/c2cccnc2)no1 76901 342925901 /nfs/dbraw/zinc/92/59/01/342925901.db2.gz FQWRSULVZSDIOD-KPKJPENVSA-N 0 0 187.202 2.129 10 30 AEEERN Cc1cc(C)c2c(=O)c(C#N)coc2c1 75964 342926042 /nfs/dbraw/zinc/92/60/42/342926042.db2.gz LPEUXRYREGGGPX-UHFFFAOYSA-N 0 0 199.209 2.282 10 30 in-vitro AEEERN C[C@H](CC#N)C(=O)c1ccccc1 129220 342927862 /nfs/dbraw/zinc/92/78/62/342927862.db2.gz HXCPGRBCISMIQZ-SECBINFHSA-N 0 0 173.215 2.419 10 30 AEEERN Cc1nn(C(C)(C)C)c(C)c1C#N 140117 342928096 /nfs/dbraw/zinc/92/80/96/342928096.db2.gz CUVTYNNJLCVMIF-UHFFFAOYSA-N 0 0 177.251 2.127 10 30 AEEERN Cc1nn(C(C)(C)C)c(C)c1/C=N/O 139927 342928209 /nfs/dbraw/zinc/92/82/09/342928209.db2.gz MGXXZRRADAQHMW-IZZDOVSWSA-N 0 0 195.266 2.063 10 30 AEEERN C[C@H](C#N)Cc1ccc(O)cc1 410057 342939505 /nfs/dbraw/zinc/93/95/05/342939505.db2.gz RXPUIKMFNFLESE-QMMMGPOBSA-N 0 0 161.204 2.094 10 30 AEEERN CCCCCCOCCC#N 1673005 342956759 /nfs/dbraw/zinc/95/67/59/342956759.db2.gz CVGVUZQHVVQSRO-UHFFFAOYSA-N 0 0 155.241 2.497 10 30 AEEERN CC1=C2CCCC(=O)[C@]2(C)CCC1=O 1730070 342962867 /nfs/dbraw/zinc/96/28/67/342962867.db2.gz YMSJMUXZPBXLSI-GFCCVEGCSA-N 0 0 192.258 2.425 10 30 in-vitro AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@@H]1C=O 1850358 342965022 /nfs/dbraw/zinc/96/50/22/342965022.db2.gz JCDLXWAYWSJVTP-GUBZILKMSA-N 0 0 152.237 2.424 10 30 endogenous,in-man AEEERN C=CCCC/C=C/COC(C)=O 2026532 342967322 /nfs/dbraw/zinc/96/73/22/342967322.db2.gz RDOHPVPONNHSPH-BQYQJAHWSA-N 0 0 168.236 2.462 10 30 AEEERN CCCC(=O)/C=C/Cl 2032858 342967529 /nfs/dbraw/zinc/96/75/29/342967529.db2.gz VDVLYXSQGCISGT-SNAWJCMRSA-N 0 0 132.590 2.108 10 30 AEEERN CCc1cc(C#N)cc(CC)c1O 2037521 342968322 /nfs/dbraw/zinc/96/83/22/342968322.db2.gz LVXBYXUNTBNBSA-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN O=C(C#Cc1ccccc1)C1CC1 2245595 342971162 /nfs/dbraw/zinc/97/11/62/342971162.db2.gz AQCNXVYYKAJQCI-UHFFFAOYSA-N 0 0 170.211 2.017 10 30 AEEERN CC1=C[C@@H](C)[C@@H](C=O)[C@@H](C)C1 2296010 342971381 /nfs/dbraw/zinc/97/13/81/342971381.db2.gz YJSUCBQWLKRPDL-KXUCPTDWSA-N 0 0 152.237 2.424 10 30 AEEERN CCCC(=O)C#Cc1ccccc1 2245584 342971441 /nfs/dbraw/zinc/97/14/41/342971441.db2.gz IWKSKCKEZMYXLD-UHFFFAOYSA-N 0 0 172.227 2.407 10 30 AEEERN Cc1ccc2c(c1)[C@@H](C#N)OCC2 2389219 342971940 /nfs/dbraw/zinc/97/19/40/342971940.db2.gz CYFIOEGEBDUEGO-LLVKDONJSA-N 0 0 173.215 2.132 10 30 AEEERN Cc1cccc(C#CC(C)(C)O)c1 2513962 342973801 /nfs/dbraw/zinc/97/38/01/342973801.db2.gz SEUCDVKEFJTWQR-UHFFFAOYSA-N 0 0 174.243 2.117 10 30 AEEERN OC1(C#Cc2ccccc2)CCCC1 2528233 342974565 /nfs/dbraw/zinc/97/45/65/342974565.db2.gz ZDUXLFHBOAAXED-UHFFFAOYSA-N 0 0 186.254 2.343 10 30 AEEERN CC1=C2SC(=O)C(C)=C2SC1=O 2529758 342974592 /nfs/dbraw/zinc/97/45/92/342974592.db2.gz WDZXABIVECLHID-UHFFFAOYSA-N 0 0 198.268 2.081 10 30 AEEERN CCC(=O)C#Cc1ccccc1 2571467 342978029 /nfs/dbraw/zinc/97/80/29/342978029.db2.gz XAJIQJSLJKBJTP-UHFFFAOYSA-N 0 0 158.200 2.017 10 30 AEEERN C=CCNc1ncc(C)s1 3210882 342981887 /nfs/dbraw/zinc/98/18/87/342981887.db2.gz LUWRPZNSOAHZAR-UHFFFAOYSA-N 0 0 154.238 2.049 10 30 AEEERN CCCCCCC[C@@H](O)CCO 3638184 342983431 /nfs/dbraw/zinc/98/34/31/342983431.db2.gz ANWMPOLHSRXCNH-SNVBAGLBSA-N 0 0 174.284 2.090 10 30 AEEERN C#C[C@H](OC(C)=O)C1CCCCC1 3632869 342982842 /nfs/dbraw/zinc/98/28/42/342982842.db2.gz WRTQKWBSYQGIFV-NSHDSACASA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H](OC(C)=O)C1CCCCC1 3632871 342982966 /nfs/dbraw/zinc/98/29/66/342982966.db2.gz WRTQKWBSYQGIFV-LLVKDONJSA-N 0 0 180.247 2.132 10 30 AEEERN CCCCCCC[C@H](O)CCO 3638183 342983304 /nfs/dbraw/zinc/98/33/04/342983304.db2.gz ANWMPOLHSRXCNH-JTQLQIEISA-N 0 0 174.284 2.090 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N)C2 4218974 342988908 /nfs/dbraw/zinc/98/89/08/342988908.db2.gz PEGOJPQIBGLFFN-KSJHYXSPSA-N 0 0 166.268 2.147 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N\N)C2 4218973 342989014 /nfs/dbraw/zinc/98/90/14/342989014.db2.gz PEGOJPQIBGLFFN-OVAXYYMUSA-N 0 0 166.268 2.147 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/[N+](=O)[O-])C2 4228023 342989281 /nfs/dbraw/zinc/98/92/81/342989281.db2.gz QWPYVYJPIHGYGX-PFBCTZJRSA-N 0 0 196.250 2.465 10 30 AEEERN C[C@H]1O[C@H]1c1ccccc1 4529239 342992580 /nfs/dbraw/zinc/99/25/80/342992580.db2.gz YVCOJTATJWDGEU-VXNVDRBHSA-N 0 0 134.178 2.146 10 30 AEEERN CC1=CC[C@H](C)[C@@H](C=O)C1 4537985 342992630 /nfs/dbraw/zinc/99/26/30/342992630.db2.gz YLGCZMOAYIGIPX-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC[C@@H](C)[C@@H](C=O)C1 4537984 342992655 /nfs/dbraw/zinc/99/26/55/342992655.db2.gz YLGCZMOAYIGIPX-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC[C@H](C)[C@H](C=O)C1 4537988 342992753 /nfs/dbraw/zinc/99/27/53/342992753.db2.gz YLGCZMOAYIGIPX-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1cc(C)c(OC[C@@H]2CO2)c(C)c1 4578739 342993208 /nfs/dbraw/zinc/99/32/08/342993208.db2.gz VSLBTETWJICFKD-NSHDSACASA-N 0 0 192.258 2.389 10 30 AEEERN CC[C@H](S)C(=O)Nc1ccccc1 5007885 342997737 /nfs/dbraw/zinc/99/77/37/342997737.db2.gz IHTFKOYOFAUIGZ-VIFPVBQESA-N 0 0 195.287 2.334 10 30 AEEERN C[C@@]12CCCC1=CC(=O)CC2 4995209 342997975 /nfs/dbraw/zinc/99/79/75/342997975.db2.gz LILOWCFFUDWRRS-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN CC#CSCC(C)C 5158099 342999099 /nfs/dbraw/zinc/99/90/99/342999099.db2.gz MTNSEVRHOHANSK-UHFFFAOYSA-N 0 0 128.240 2.356 10 30 AEEERN C=C(C)C(=O)OCCC(F)(F)F 5158186 342999242 /nfs/dbraw/zinc/99/92/42/342999242.db2.gz DCEGHEFYVNDALO-UHFFFAOYSA-N 0 0 182.141 2.058 10 30 AEEERN C1CC[C@@H]2C[C@H]3O[C@H]3C[C@@H]2C1 5189915 342999367 /nfs/dbraw/zinc/99/93/67/342999367.db2.gz OQOKLVGYVIWSPZ-YNFQOJQRSA-N 0 0 152.237 2.354 10 30 AEEERN C=C(C)C(=O)Oc1ccc(OC)cc1 5194897 342999734 /nfs/dbraw/zinc/99/97/34/342999734.db2.gz WIZMCLXMWBKNKH-UHFFFAOYSA-N 0 0 192.214 2.177 10 30 AEEERN C[C@H](S[C@@H](C)[C@@H](C)S)[C@@H](C)O 5299005 343000677 /nfs/dbraw/zinc/00/06/77/343000677.db2.gz PHLKBLKTWMSFGF-NGJRWZKOSA-N 0 0 194.365 2.196 10 30 endogenous,in-man AEEERN CC[C@@H](S)C(=O)Nc1ccccc1 5497281 343003824 /nfs/dbraw/zinc/00/38/24/343003824.db2.gz IHTFKOYOFAUIGZ-SECBINFHSA-N 0 0 195.287 2.334 10 30 AEEERN CCCCC[C@@H](C)C=O 5513189 343004129 /nfs/dbraw/zinc/00/41/29/343004129.db2.gz DHEKCFIOOSCJRW-MRVPVSSYSA-N 0 0 128.215 2.402 10 30 AEEERN C=CCOc1cc(C=O)cc(OC)c1 5661023 343006196 /nfs/dbraw/zinc/00/61/96/343006196.db2.gz BZQFCTFBJYWEMQ-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN CC1=CC[C@@H](C)[C@@H](C)C1=O 5735577 343007169 /nfs/dbraw/zinc/00/71/69/343007169.db2.gz QAQCUBLNHBKTRM-HTRCEHHLSA-N 0 0 138.210 2.178 10 30 AEEERN CC1=CC[C@H](C)[C@@H](C)C1=O 5751848 343007491 /nfs/dbraw/zinc/00/74/91/343007491.db2.gz QAQCUBLNHBKTRM-POYBYMJQSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C#N)c1ccc(O)cc1 5751061 343007593 /nfs/dbraw/zinc/00/75/93/343007593.db2.gz BTNSSVRIZUUYGM-SSDOTTSWSA-N 0 0 147.177 2.019 10 30 AEEERN CC1=CC[C@H](C)[C@H](C)C1=O 5751849 343007673 /nfs/dbraw/zinc/00/76/73/343007673.db2.gz QAQCUBLNHBKTRM-XPUUQOCRSA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)[C@H]2CC[C@H](C=O)[C@@H]1C2 5765712 343008220 /nfs/dbraw/zinc/00/82/20/343008220.db2.gz OOCLVMCVOWKECB-VGMNWLOBSA-N 0 0 152.237 2.258 10 30 AEEERN CCC/C=C(\C)C(C)=O 5819330 343008478 /nfs/dbraw/zinc/00/84/78/343008478.db2.gz IZBMUZVSTLWUTH-VOTSOKGWSA-N 0 0 126.199 2.322 10 30 endogenous,in-man AEEERN CCCC[C@@H](C)C=O 5821675 343008907 /nfs/dbraw/zinc/00/89/07/343008907.db2.gz BHVGMUDWABJNRC-SSDOTTSWSA-N 0 0 114.188 2.012 10 30 endogenous,in-man AEEERN CCCCC[C@@H]1O[C@H]1C 5821043 343008912 /nfs/dbraw/zinc/00/89/12/343008912.db2.gz SNAUWGUVQBOHMZ-YUMQZZPRSA-N 0 0 128.215 2.354 10 30 AEEERN CC(C)/N=C/c1ccccc1O 5962444 343010275 /nfs/dbraw/zinc/01/02/75/343010275.db2.gz PHHCWZIPEJJCOE-YRNVUSSQSA-N 0 0 163.220 2.220 10 30 AEEERN CCC/N=C/c1ccccc1O 5964877 343010775 /nfs/dbraw/zinc/01/07/75/343010775.db2.gz FSVBAJHJVAWEID-DHZHZOJOSA-N 0 0 163.220 2.221 10 30 AEEERN O=C1C=C(c2ccccc2)C1 6096028 343012582 /nfs/dbraw/zinc/01/25/82/343012582.db2.gz IVOQFIKQFGCRBQ-UHFFFAOYSA-N 0 0 144.173 2.043 10 30 AEEERN CC1=C/C(=N\O)[C@H]2C[C@@H]1C2(C)C 6202496 343012950 /nfs/dbraw/zinc/01/29/50/343012950.db2.gz IFBAKUPBWQPNSL-WGRRCAOGSA-N 0 0 165.236 2.439 10 30 AEEERN CCc1cc(C#N)c(=S)[nH]c1C 6489856 343015228 /nfs/dbraw/zinc/01/52/28/343015228.db2.gz GVEGKJCJHKEQHO-UHFFFAOYSA-N 0 0 178.260 2.487 10 30 AEEERN C=C(C)C(=O)c1ccc2c(c1)OCO2 8682274 343019633 /nfs/dbraw/zinc/01/96/33/343019633.db2.gz PUVYUGZWQMBTOE-UHFFFAOYSA-N 0 0 190.198 2.174 10 30 AEEERN Cc1ccc(OCCC=O)c(C)c1 11569650 343022519 /nfs/dbraw/zinc/02/25/19/343022519.db2.gz NJZDYWCATCINRA-UHFFFAOYSA-N 0 0 178.231 2.271 10 30 AEEERN Cc1ccc(C)c(OCCC=O)c1 11569648 343022613 /nfs/dbraw/zinc/02/26/13/343022613.db2.gz IOEIDXPRDVAYIV-UHFFFAOYSA-N 0 0 178.231 2.271 10 30 AEEERN Cc1ccc(OCCC=O)cc1C 11569645 343022625 /nfs/dbraw/zinc/02/26/25/343022625.db2.gz UBEXUGMUDJPRIU-UHFFFAOYSA-N 0 0 178.231 2.271 10 30 AEEERN Cc1cc(OCC=O)ccc1Cl 11584281 343022976 /nfs/dbraw/zinc/02/29/76/343022976.db2.gz CDXKZYAYGLHFTF-UHFFFAOYSA-N 0 0 184.622 2.226 10 30 AEEERN CCCC[C@H](S)CCOC(C)=O 14589053 343039041 /nfs/dbraw/zinc/03/90/41/343039041.db2.gz JWESHEXXXWDVAQ-VIFPVBQESA-N 0 0 190.308 2.428 10 30 endogenous,in-man AEEERN CCCC[C@@H](S)CCOC(C)=O 14589052 343039047 /nfs/dbraw/zinc/03/90/47/343039047.db2.gz JWESHEXXXWDVAQ-SECBINFHSA-N 0 0 190.308 2.428 10 30 endogenous,in-man AEEERN CCCCCC[C@@H](O)CC#N 14492639 343039200 /nfs/dbraw/zinc/03/92/00/343039200.db2.gz LRAARMBQGRNMAY-SECBINFHSA-N 0 0 155.241 2.231 10 30 AEEERN C[C@@H]1CC[C@H](O)C2=CC(=O)CC[C@]21C 14511876 343039205 /nfs/dbraw/zinc/03/92/05/343039205.db2.gz LLXGJLLSVBRJSE-ZHAHWJHGSA-N 0 0 194.274 2.073 10 30 AEEERN CC1=C/C(=N\O)C(C(C)C)=C/C1=N\O 14588380 343039229 /nfs/dbraw/zinc/03/92/29/343039229.db2.gz QZOSTSJUKMOFDQ-WGDLNXRISA-N 0 0 194.234 2.189 10 30 AEEERN C=C(C)[C@H]1CC=C(C)C[C@H]1O 14588390 343039235 /nfs/dbraw/zinc/03/92/35/343039235.db2.gz ZTDBSRAQWPKHIO-NXEZZACHSA-N 0 0 152.237 2.280 10 30 endogenous,in-man AEEERN CCCCCC[C@H](O)CC#N 14492642 343039257 /nfs/dbraw/zinc/03/92/57/343039257.db2.gz LRAARMBQGRNMAY-VIFPVBQESA-N 0 0 155.241 2.231 10 30 AEEERN C[C@]1(O)CCC[C@]2(C)CCC(=O)C=C12 14511902 343039273 /nfs/dbraw/zinc/03/92/73/343039273.db2.gz NGTFVDVHOJMAJY-NEPJUHHUSA-N 0 0 194.274 2.217 10 30 biogenic AEEERN CC/C=C\C/C=C\CC=O 14614317 343039369 /nfs/dbraw/zinc/03/93/69/343039369.db2.gz FIDBXHOCOXRPRO-CWWKMNTPSA-N 0 0 138.210 2.488 10 30 endogenous,in-man AEEERN C=C(C)C(=O)Oc1ccc(C#N)cc1 14593022 343039392 /nfs/dbraw/zinc/03/93/92/343039392.db2.gz OGVIMBVPFAEZDF-UHFFFAOYSA-N 0 0 187.198 2.040 10 30 AEEERN C=C1C[C@@H](CO)C(C)(C)[C@H]1C 14612649 343039399 /nfs/dbraw/zinc/03/93/99/343039399.db2.gz QPEVOWJNFFZVOF-IUCAKERBSA-N 0 0 154.253 2.217 10 30 AEEERN C=C1C[C@H](CO)C(C)(C)[C@H]1C 14612651 343039459 /nfs/dbraw/zinc/03/94/59/343039459.db2.gz QPEVOWJNFFZVOF-DTWKUNHWSA-N 0 0 154.253 2.217 10 30 AEEERN C=C1C[C@H](CO)C(C)(C)[C@@H]1C 14612650 343039491 /nfs/dbraw/zinc/03/94/91/343039491.db2.gz QPEVOWJNFFZVOF-RKDXNWHRSA-N 0 0 154.253 2.217 10 30 AEEERN C=C1C[C@@H](CO)C(C)(C)[C@@H]1C 14612648 343039589 /nfs/dbraw/zinc/03/95/89/343039589.db2.gz QPEVOWJNFFZVOF-BDAKNGLRSA-N 0 0 154.253 2.217 10 30 AEEERN CC1=C/C(=N\O)[C@@H]2C[C@H]1C2(C)C 14657503 343039894 /nfs/dbraw/zinc/03/98/94/343039894.db2.gz IFBAKUPBWQPNSL-FEORRWSDSA-N 0 0 165.236 2.439 10 30 AEEERN CC[C@H]1CCC[C@H]1C=O 15204859 343041935 /nfs/dbraw/zinc/04/19/35/343041935.db2.gz GYZGPIMCDMSOTN-YUMQZZPRSA-N 0 0 126.199 2.012 10 30 AEEERN CO/N=C(\C)c1ccccc1 15779732 343042601 /nfs/dbraw/zinc/04/26/01/343042601.db2.gz FRRKMGKUCIICOM-CSKARUKUSA-N 0 0 149.193 2.057 10 30 AEEERN C#CC[C@@](C)(O)CC(C)(C)C 17402660 343046592 /nfs/dbraw/zinc/04/65/92/343046592.db2.gz PWESAGROWSMOHM-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN C#CC[C@](C)(O)CC(C)(C)C 17402658 343046665 /nfs/dbraw/zinc/04/66/65/343046665.db2.gz PWESAGROWSMOHM-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C[C@@H]1c2ccccc2[C@H]2O[C@@H]12 17500537 343046868 /nfs/dbraw/zinc/04/68/68/343046868.db2.gz WUWYRHCOIFWYEY-WHFVKQHSSA-N 0 0 146.189 2.244 10 30 AEEERN CN(CCCC#N)c1ccccc1 19476231 343056245 /nfs/dbraw/zinc/05/62/45/343056245.db2.gz GSINROBTHVSCHI-UHFFFAOYSA-N 0 0 174.247 2.427 10 30 AEEERN Cc1cc(C)c2c(=O)c(C#N)c[nH]c2c1 19502694 343056519 /nfs/dbraw/zinc/05/65/19/343056519.db2.gz BJGGLHVYYCMBMG-UHFFFAOYSA-N 0 0 198.225 2.017 10 30 AEEERN Cc1cccc(CN(C)CCC#N)c1 19834196 343061212 /nfs/dbraw/zinc/06/12/12/343061212.db2.gz GPDIRGNZOZRFHC-UHFFFAOYSA-N 0 0 188.274 2.341 10 30 AEEERN CN(CCC#N)CCc1ccccc1 19834187 343061233 /nfs/dbraw/zinc/06/12/33/343061233.db2.gz DQCRONGXYVTMIV-UHFFFAOYSA-N 0 0 188.274 2.075 10 30 AEEERN CC(C)N[C@H](C#N)c1ccc(F)cc1 19988799 343065782 /nfs/dbraw/zinc/06/57/82/343065782.db2.gz XHMDBUFXQDQAOM-LLVKDONJSA-N 0 0 192.237 2.388 10 30 AEEERN CC(C)N[C@@H](C#N)c1ccc(F)cc1 19988795 343065953 /nfs/dbraw/zinc/06/59/53/343065953.db2.gz XHMDBUFXQDQAOM-NSHDSACASA-N 0 0 192.237 2.388 10 30 AEEERN Cc1ccc([C@@H](C)NCCC#N)o1 20199648 343069061 /nfs/dbraw/zinc/06/90/61/343069061.db2.gz JVSVQIQFRZCELA-SECBINFHSA-N 0 0 178.235 2.152 10 30 AEEERN C[C@H](NCCC#N)c1cccs1 20199596 343069152 /nfs/dbraw/zinc/06/91/52/343069152.db2.gz IHMFADSIASSYEA-QMMMGPOBSA-N 0 0 180.276 2.312 10 30 AEEERN Cc1ccc([C@H](C)NCCC#N)o1 20199650 343069182 /nfs/dbraw/zinc/06/91/82/343069182.db2.gz JVSVQIQFRZCELA-VIFPVBQESA-N 0 0 178.235 2.152 10 30 AEEERN CC(C)c1nc(C#N)c2ccccn12 20222700 343070082 /nfs/dbraw/zinc/07/00/82/343070082.db2.gz QAQWQMLJACGONX-UHFFFAOYSA-N 0 0 185.230 2.329 10 30 AEEERN CC(C)[C@H](C)Nc1ncccc1C#N 20305724 343071363 /nfs/dbraw/zinc/07/13/63/343071363.db2.gz QBUYAIXLUFQASO-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN CC(C)[C@@H](C)Nc1ccc(C#N)cn1 20368549 343072272 /nfs/dbraw/zinc/07/22/72/343072272.db2.gz FLTMFEOZGUSKEI-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN CC(C)[C@H](C)Nc1ccc(C#N)cn1 20368550 343072372 /nfs/dbraw/zinc/07/23/72/343072372.db2.gz FLTMFEOZGUSKEI-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN C=C1COCc2ccccc21 20975202 343075177 /nfs/dbraw/zinc/07/51/77/343075177.db2.gz ITLGBCGWOPTPOK-UHFFFAOYSA-N 0 0 146.189 2.230 10 30 AEEERN Cc1cccn2c(C#N)c(Cl)nc12 21949033 343075718 /nfs/dbraw/zinc/07/57/18/343075718.db2.gz SLSZOBPYERPLDV-UHFFFAOYSA-N 0 0 191.621 2.168 10 30 AEEERN C[C@H](O)[C@H](C#N)c1ccc(Cl)cc1 21952465 343076033 /nfs/dbraw/zinc/07/60/33/343076033.db2.gz RBQZCTRUPQRJIW-XVKPBYJWSA-N 0 0 195.649 2.328 10 30 AEEERN Cc1ccc2nc(Cl)c(C#N)n2c1 21949426 343076047 /nfs/dbraw/zinc/07/60/47/343076047.db2.gz LIADIJBFEKGIQE-UHFFFAOYSA-N 0 0 191.621 2.168 10 30 AEEERN Cc1ccn2c(C#N)c(Cl)nc2c1 21950099 343076128 /nfs/dbraw/zinc/07/61/28/343076128.db2.gz QCLZYSKONYKQDA-UHFFFAOYSA-N 0 0 191.621 2.168 10 30 AEEERN Cc1cccc2nc(Cl)c(C#N)n12 21949768 343076249 /nfs/dbraw/zinc/07/62/49/343076249.db2.gz LESSNFVSCZDVCW-UHFFFAOYSA-N 0 0 191.621 2.168 10 30 AEEERN CC(C)[C@H](O)C#CC(C)(C)C 21990848 343077283 /nfs/dbraw/zinc/07/72/83/343077283.db2.gz UMRSEOYVIWGJMA-SECBINFHSA-N 0 0 154.253 2.053 10 30 AEEERN C=C[C@@H]1OCc2ccccc21 21998399 343077370 /nfs/dbraw/zinc/07/73/70/343077370.db2.gz ILDNZTRIVHPVAU-JTQLQIEISA-N 0 0 146.189 2.444 10 30 AEEERN Cc1cc(C)c([C@H](N)C#N)c(C)c1 22164464 343079793 /nfs/dbraw/zinc/07/97/93/343079793.db2.gz MULNMIVVKBVHAT-SNVBAGLBSA-N 0 0 174.247 2.135 10 30 AEEERN Cc1cccc(OC[C@@H]2CO2)c1C 22178109 343080191 /nfs/dbraw/zinc/08/01/91/343080191.db2.gz RWBSWKZPQXYNNO-JTQLQIEISA-N 0 0 178.231 2.081 10 30 AEEERN Cc1cccc(OC[C@H]2CO2)c1C 22178111 343080263 /nfs/dbraw/zinc/08/02/63/343080263.db2.gz RWBSWKZPQXYNNO-SNVBAGLBSA-N 0 0 178.231 2.081 10 30 AEEERN Cc1ccc(OC[C@H]2CO2)cc1C 22168872 343080427 /nfs/dbraw/zinc/08/04/27/343080427.db2.gz ZABVHXJGMITPLQ-NSHDSACASA-N 0 0 178.231 2.081 10 30 AEEERN CCc1sc(N)c(C#N)c1C 22201886 343080432 /nfs/dbraw/zinc/08/04/32/343080432.db2.gz BEEUCSAIUSFOLR-UHFFFAOYSA-N 0 0 166.249 2.073 10 30 AEEERN C[C@H](O)C#Cc1ccc(Cl)cc1 22203249 343080646 /nfs/dbraw/zinc/08/06/46/343080646.db2.gz GPOOETBYGFKGSO-QMMMGPOBSA-N 0 0 180.634 2.072 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)C#N 22209969 343080655 /nfs/dbraw/zinc/08/06/55/343080655.db2.gz NKBXPAOAXZQLBD-OUAUKWLOSA-N 0 0 180.295 2.300 10 30 AEEERN CC(C)(O)C#Cc1ccc(F)c(F)c1 22203374 343080683 /nfs/dbraw/zinc/08/06/83/343080683.db2.gz HJJPINMOGHZVIM-UHFFFAOYSA-N 0 0 196.196 2.087 10 30 AEEERN C[C@@H](O)C#Cc1cccc(Cl)c1 22203252 343080691 /nfs/dbraw/zinc/08/06/91/343080691.db2.gz KYIGKXWPMLPKEC-MRVPVSSYSA-N 0 0 180.634 2.072 10 30 AEEERN C[C@H](O)C#Cc1cccc(Cl)c1 22203255 343080772 /nfs/dbraw/zinc/08/07/72/343080772.db2.gz KYIGKXWPMLPKEC-QMMMGPOBSA-N 0 0 180.634 2.072 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(N)C#N 22209972 343080860 /nfs/dbraw/zinc/08/08/60/343080860.db2.gz NKBXPAOAXZQLBD-GMTAPVOTSA-N 0 0 180.295 2.300 10 30 AEEERN C[C@@H](O)C#Cc1ccc(Cl)cc1 22203244 343080902 /nfs/dbraw/zinc/08/09/02/343080902.db2.gz GPOOETBYGFKGSO-MRVPVSSYSA-N 0 0 180.634 2.072 10 30 AEEERN C#C[C@](C)(O)c1c(C)cc(C)cc1C 22339254 343081402 /nfs/dbraw/zinc/08/14/02/343081402.db2.gz ZFCZPJBLZOFENW-ZDUSSCGKSA-N 0 0 188.270 2.453 10 30 AEEERN C#C[C@@](C)(O)c1c(C)cc(C)cc1C 22339258 343081490 /nfs/dbraw/zinc/08/14/90/343081490.db2.gz ZFCZPJBLZOFENW-CYBMUJFWSA-N 0 0 188.270 2.453 10 30 AEEERN C[C@@H]1CCCCC[C@@H]1C=O 23699255 343083910 /nfs/dbraw/zinc/08/39/10/343083910.db2.gz ZPIQORJAWOCASW-RKDXNWHRSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@@H]1CCCCC[C@H]1C=O 23699260 343084096 /nfs/dbraw/zinc/08/40/96/343084096.db2.gz ZPIQORJAWOCASW-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN O=C1CCC2=C1CCCC2 25926832 343087337 /nfs/dbraw/zinc/08/73/37/343087337.db2.gz VKMPHJINXYTSIM-UHFFFAOYSA-N 0 0 136.194 2.220 10 30 AEEERN CN(CCS)c1ccccc1 26509732 343089181 /nfs/dbraw/zinc/08/91/81/343089181.db2.gz FEVRMFNTUFCCOX-UHFFFAOYSA-N 0 0 167.277 2.053 10 30 AEEERN CNC1(C#N)CCCCCCC1 26515677 343089618 /nfs/dbraw/zinc/08/96/18/343089618.db2.gz QSYTZSUCONAXKC-UHFFFAOYSA-N 0 0 166.268 2.212 10 30 AEEERN CC1=CC[C@H](C=O)C1(C)C 28541826 343091853 /nfs/dbraw/zinc/09/18/53/343091853.db2.gz KUSHNIVDXXIKCE-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H](C#N)CN(C)c1ccccc1 31945917 343094929 /nfs/dbraw/zinc/09/49/29/343094929.db2.gz JCKKRUAVWGMKMH-SNVBAGLBSA-N 0 0 174.247 2.282 10 30 AEEERN C[C@H](C#N)CNc1ccccc1 32005983 343095419 /nfs/dbraw/zinc/09/54/19/343095419.db2.gz UEHPSSVKTDSBIQ-SECBINFHSA-N 0 0 160.220 2.258 10 30 AEEERN C[C@H](CC#N)Nc1ccccc1 32005981 343095425 /nfs/dbraw/zinc/09/54/25/343095425.db2.gz CBTPTSLASMSDEJ-SECBINFHSA-N 0 0 160.220 2.401 10 30 AEEERN C[C@H](C#N)CNc1cccc(F)c1 32007101 343096052 /nfs/dbraw/zinc/09/60/52/343096052.db2.gz FGPMYVCVHRDZMP-MRVPVSSYSA-N 0 0 178.210 2.397 10 30 AEEERN C[C@H](C#N)CNc1ccccc1F 32007095 343096065 /nfs/dbraw/zinc/09/60/65/343096065.db2.gz GOQAETSEECBTDE-MRVPVSSYSA-N 0 0 178.210 2.397 10 30 AEEERN C[C@H](C#N)CNc1ccc(F)cc1 32007098 343096075 /nfs/dbraw/zinc/09/60/75/343096075.db2.gz CCNHULRRZOIWQC-MRVPVSSYSA-N 0 0 178.210 2.397 10 30 AEEERN CCC(=O)c1ccc(F)c(C#N)c1 32006953 343096113 /nfs/dbraw/zinc/09/61/13/343096113.db2.gz SKPZNDCMGADSKU-UHFFFAOYSA-N 0 0 177.178 2.290 10 30 AEEERN O=C1CCCC2=C1CCC2 32134489 343097592 /nfs/dbraw/zinc/09/75/92/343097592.db2.gz UXSWKQVGKDBMOX-UHFFFAOYSA-N 0 0 136.194 2.220 10 30 AEEERN CCCCC1CCC(=O)C1=O 32136243 343098091 /nfs/dbraw/zinc/09/80/91/343098091.db2.gz UJTQSQADRGAFHN-UHFFFAOYSA-N 0 0 154.209 2.352 10 30 AEEERN C[C@H]1CC(=NO)C[C@H](C)C1 32153606 343098541 /nfs/dbraw/zinc/09/85/41/343098541.db2.gz BTZZWXZMJCHUFK-RNFRBKRXSA-N 0 0 141.214 2.273 10 30 AEEERN Cc1ccc(C#CC[C@@H](C)O)cc1 32158767 343098914 /nfs/dbraw/zinc/09/89/14/343098914.db2.gz BDNSYEJAHWAINU-LLVKDONJSA-N 0 0 174.243 2.117 10 30 AEEERN Cc1ccc(C#CC[C@H](C)O)cc1 32158770 343099082 /nfs/dbraw/zinc/09/90/82/343099082.db2.gz BDNSYEJAHWAINU-NSHDSACASA-N 0 0 174.243 2.117 10 30 AEEERN C#C[C@@](O)(c1ccccc1)C(C)C 32167763 343099373 /nfs/dbraw/zinc/09/93/73/343099373.db2.gz IAMZOCORKMFBSY-LBPRGKRZSA-N 0 0 174.243 2.163 10 30 AEEERN C#C[C@](O)(c1ccccc1)C(C)C 32167765 343099388 /nfs/dbraw/zinc/09/93/88/343099388.db2.gz IAMZOCORKMFBSY-GFCCVEGCSA-N 0 0 174.243 2.163 10 30 AEEERN CC1=CC(=O)Cc2ccccc21 32167454 343099440 /nfs/dbraw/zinc/09/94/40/343099440.db2.gz FLCQYXWYKZDWKF-UHFFFAOYSA-N 0 0 158.200 2.215 10 30 AEEERN C#C[C@@H](C)Nc1ccccc1 32167391 343099485 /nfs/dbraw/zinc/09/94/85/343099485.db2.gz YVHNSTSWXJRZBX-SECBINFHSA-N 0 0 145.205 2.120 10 30 AEEERN C#C[C@H](C)Nc1ccccc1 32167394 343099524 /nfs/dbraw/zinc/09/95/24/343099524.db2.gz YVHNSTSWXJRZBX-VIFPVBQESA-N 0 0 145.205 2.120 10 30 AEEERN C#C[C@@H](C)OC(=O)c1ccc(C)cc1 32176415 343099728 /nfs/dbraw/zinc/09/97/28/343099728.db2.gz ISZQQMZRWTVINR-SNVBAGLBSA-N 0 0 188.226 2.174 10 30 AEEERN C[C@@]12CCCCC1=CC(=O)C2 32172940 343099742 /nfs/dbraw/zinc/09/97/42/343099742.db2.gz HJDKCIOQDUHLEF-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN C[C@]12CCCCC1=CC(=O)C2 32172943 343099812 /nfs/dbraw/zinc/09/98/12/343099812.db2.gz HJDKCIOQDUHLEF-SNVBAGLBSA-N 0 0 150.221 2.466 10 30 AEEERN Cc1cc2ccc(C#N)cn2c1 32192449 343100422 /nfs/dbraw/zinc/10/04/22/343100422.db2.gz DDBAKJFTSMOWIT-UHFFFAOYSA-N 0 0 156.188 2.119 10 30 in-vitro AEEERN C=CCOc1ccc(OC)c(OC)c1 32191937 343100629 /nfs/dbraw/zinc/10/06/29/343100629.db2.gz APBVQAHSAWNALZ-UHFFFAOYSA-N 0 0 194.230 2.269 10 30 AEEERN Cc1cc2ccccc2c(C#N)n1 32207848 343100867 /nfs/dbraw/zinc/10/08/67/343100867.db2.gz WYQGDQMTXPFAFX-UHFFFAOYSA-N 0 0 168.199 2.415 10 30 AEEERN CCCCC[C@]1(C)CO1 32230197 343102022 /nfs/dbraw/zinc/10/20/22/343102022.db2.gz SMSAOBIPMBKJOU-MRVPVSSYSA-N 0 0 128.215 2.356 10 30 AEEERN CC1(C)CC(=O)C=C(C(F)(F)F)O1 33373335 343104782 /nfs/dbraw/zinc/10/47/82/343104782.db2.gz PXIUIXINAQSDFL-UHFFFAOYSA-N 0 0 194.152 2.201 10 30 AEEERN Cc1cc(O)ccc1NCCC#N 33432738 343105183 /nfs/dbraw/zinc/10/51/83/343105183.db2.gz FMGCXKHHHSCZQY-UHFFFAOYSA-N 0 0 176.219 2.026 10 30 AEEERN CC[C@H](C)[C@@](C#N)(CC)C(=O)OC 33606131 343105566 /nfs/dbraw/zinc/10/55/66/343105566.db2.gz ACADKHGAMCGGHY-WPRPVWTQSA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)c1nccn1[C@H](C)C#N 33605281 343105352 /nfs/dbraw/zinc/10/53/52/343105352.db2.gz RACDEYCTKNBGLK-MRVPVSSYSA-N 0 0 163.224 2.091 10 30 AEEERN CC(C)c1nccn1[C@@H](C)C#N 33605280 343105543 /nfs/dbraw/zinc/10/55/43/343105543.db2.gz RACDEYCTKNBGLK-QMMMGPOBSA-N 0 0 163.224 2.091 10 30 AEEERN C#CCOC/C=C\c1ccccc1 33686526 343106118 /nfs/dbraw/zinc/10/61/18/343106118.db2.gz VMKISEXUKFXERZ-TWGQIWQCSA-N 0 0 172.227 2.350 10 30 AEEERN C[C@H]1C=CCC[C@]1(C)C=O 33650170 343106133 /nfs/dbraw/zinc/10/61/33/343106133.db2.gz CYGGTUUCLIFNIU-DTWKUNHWSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H](C#N)OC1CCCCC1 33647773 343106154 /nfs/dbraw/zinc/10/61/54/343106154.db2.gz PGHUEIJMIDWUDD-QMMMGPOBSA-N 0 0 153.225 2.248 10 30 AEEERN C#CCCCCC#CCCC=O 33820575 343106500 /nfs/dbraw/zinc/10/65/00/343106500.db2.gz UWQTVOGCRQIRPD-UHFFFAOYSA-N 0 0 162.232 2.163 10 30 AEEERN CC#Cc1ccc(OC)cc1 33822895 343106615 /nfs/dbraw/zinc/10/66/15/343106615.db2.gz QVJGHZTXDKQLRT-UHFFFAOYSA-N 0 0 146.189 2.067 10 30 AEEERN C#CC(C)(C)OC(=O)c1ccccc1 33826080 343106812 /nfs/dbraw/zinc/10/68/12/343106812.db2.gz XTTQOGPZZADBJS-UHFFFAOYSA-N 0 0 188.226 2.255 10 30 AEEERN CC(C)(C)C(=O)/C=C/Cl 33840983 343106945 /nfs/dbraw/zinc/10/69/45/343106945.db2.gz SWRGXGUWAIPLSI-SNAWJCMRSA-N 0 0 146.617 2.354 10 30 AEEERN C/C=C/C(=O)c1ccc(C#N)cc1 33841749 343107405 /nfs/dbraw/zinc/10/74/05/343107405.db2.gz DIPXXAAFQQYXAF-NSCUHMNNSA-N 0 0 171.199 2.317 10 30 AEEERN C=CCCC/C=C/CC(=O)OC 33841417 343107518 /nfs/dbraw/zinc/10/75/18/343107518.db2.gz FGFBSRAQZIORCU-BQYQJAHWSA-N 0 0 168.236 2.462 10 30 AEEERN C#C[C@@H](C)OCc1ccccc1 33914912 343107810 /nfs/dbraw/zinc/10/78/10/343107810.db2.gz LJCJDCHOKLCFEJ-SNVBAGLBSA-N 0 0 160.216 2.225 10 30 AEEERN C[C@H](C=O)[C@H]1CC=CCC1 33961388 343108486 /nfs/dbraw/zinc/10/84/86/343108486.db2.gz WHXRWZTVIOYFFP-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN O=C1C=CCCc2ccccc21 34060536 343109246 /nfs/dbraw/zinc/10/92/46/343109246.db2.gz JNRKVVIKJKHAJM-UHFFFAOYSA-N 0 0 158.200 2.372 10 30 AEEERN CC(=O)/C(C)=C/c1cccnc1 34060580 343109398 /nfs/dbraw/zinc/10/93/98/343109398.db2.gz NVCUBJGIRIYQQH-SOFGYWHQSA-N 0 0 161.204 2.074 10 30 AEEERN C=CCOCc1ccccc1OC 34075928 343109777 /nfs/dbraw/zinc/10/97/77/343109777.db2.gz BVXRNCJRIUKMLP-UHFFFAOYSA-N 0 0 178.231 2.398 10 30 AEEERN Cc1ccc([N+](=O)[O-])c(C#N)c1C 34077493 343109860 /nfs/dbraw/zinc/10/98/60/343109860.db2.gz YRIHDNDJIUJPHH-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 AEEERN C=CCOP(OCC)OCC 34091782 343110172 /nfs/dbraw/zinc/11/01/72/343110172.db2.gz AGJIYZHEXCXEPB-UHFFFAOYSA-N 0 0 178.168 2.489 10 30 AEEERN C[C@@](F)(C=O)c1ccccc1 34109312 343110447 /nfs/dbraw/zinc/11/04/47/343110447.db2.gz JBUOWRXDFOIKSS-SECBINFHSA-N 0 0 152.168 2.070 10 30 AEEERN C[C@](F)(C=O)c1ccccc1 34109314 343110728 /nfs/dbraw/zinc/11/07/28/343110728.db2.gz JBUOWRXDFOIKSS-VIFPVBQESA-N 0 0 152.168 2.070 10 30 AEEERN C=C1CO[C@@H](c2ccccc2)O1 34113894 343110903 /nfs/dbraw/zinc/11/09/03/343110903.db2.gz DKJGMYUTRFLGBJ-SNVBAGLBSA-N 0 0 162.188 2.246 10 30 AEEERN C/C=C(\C)C[C@@H](C)C=O 34115137 343110908 /nfs/dbraw/zinc/11/09/08/343110908.db2.gz QIGOHFLKAFHWDZ-RXLGXGPVSA-N 0 0 126.199 2.178 10 30 AEEERN CC1=CC(=O)CCCC1 34111636 343110993 /nfs/dbraw/zinc/11/09/93/343110993.db2.gz CYXNRWOZZPRJAH-UHFFFAOYSA-N 0 0 124.183 2.076 10 30 AEEERN C=C1CO[C@H](c2ccccc2)O1 34113893 343111020 /nfs/dbraw/zinc/11/10/20/343111020.db2.gz DKJGMYUTRFLGBJ-JTQLQIEISA-N 0 0 162.188 2.246 10 30 AEEERN CC(C)(C#CCCO)c1ccccc1 34115886 343111029 /nfs/dbraw/zinc/11/10/29/343111029.db2.gz SVUDSDJLJDYTNB-UHFFFAOYSA-N 0 0 188.270 2.350 10 30 AEEERN C[C@@]1(CCOCc2ccccc2)CO1 34123017 343111271 /nfs/dbraw/zinc/11/12/71/343111271.db2.gz BJYBNDODYMMKMG-GFCCVEGCSA-N 0 0 192.258 2.382 10 30 AEEERN CC/C=C/C(=O)C(C)C 34121847 343111302 /nfs/dbraw/zinc/11/13/02/343111302.db2.gz YXDHNLJRDOGKKB-AATRIKPKSA-N 0 0 126.199 2.178 10 30 AEEERN C=CC[C@@H](O)COCc1ccccc1 34115979 343111387 /nfs/dbraw/zinc/11/13/87/343111387.db2.gz KTFVKQQUQQYFPB-GFCCVEGCSA-N 0 0 192.258 2.140 10 30 AEEERN C[C@]1(CCOCc2ccccc2)CO1 34123015 343111401 /nfs/dbraw/zinc/11/14/01/343111401.db2.gz BJYBNDODYMMKMG-LBPRGKRZSA-N 0 0 192.258 2.382 10 30 AEEERN O=C(CCS)OCc1ccccc1 34140220 343111774 /nfs/dbraw/zinc/11/17/74/343111774.db2.gz DFMOIQHWZVGRSO-UHFFFAOYSA-N 0 0 196.271 2.050 10 30 AEEERN C[C@H](C#N)c1cccc([N+](=O)[O-])c1 34143902 343111802 /nfs/dbraw/zinc/11/18/02/343111802.db2.gz RMIWZYGLHJJFRO-SSDOTTSWSA-N 0 0 176.175 2.222 10 30 AEEERN N#CCc1cccc([N+](=O)[O-])c1Cl 34161190 343112112 /nfs/dbraw/zinc/11/21/12/343112112.db2.gz UACNVUVLOFOJAD-UHFFFAOYSA-N 0 0 196.593 2.314 10 30 AEEERN C=C[C@@H]1COC(=O)N1c1ccccc1 34189574 343112856 /nfs/dbraw/zinc/11/28/56/343112856.db2.gz RIOBQXVWQLFGTQ-SECBINFHSA-N 0 0 189.214 2.198 10 30 AEEERN CO/C=C/C(=O)C1CCCCC1 34179560 343113013 /nfs/dbraw/zinc/11/30/13/343113013.db2.gz SNFUOKTTXADDBV-BQYQJAHWSA-N 0 0 168.236 2.296 10 30 AEEERN CC(=O)/C=C/c1cnc(C)s1 34192328 343113426 /nfs/dbraw/zinc/11/34/26/343113426.db2.gz PIUJSEUVOAZMKL-ONEGZZNKSA-N 0 0 167.233 2.054 10 30 AEEERN C(=N/Cc1ccccn1)\c1ccccn1 34227350 343113968 /nfs/dbraw/zinc/11/39/68/343113968.db2.gz GJIZTHRAQWTRCF-UKTHLTGXSA-N 0 0 197.241 2.096 10 30 AEEERN Cc1ccc(C(=O)[C@H](C)C#N)cc1 34226850 343114156 /nfs/dbraw/zinc/11/41/56/343114156.db2.gz BPENUPAIRWAOJP-SECBINFHSA-N 0 0 173.215 2.337 10 30 AEEERN Cc1ccc(C(=O)[C@@H](C)C#N)cc1 34226849 343114237 /nfs/dbraw/zinc/11/42/37/343114237.db2.gz BPENUPAIRWAOJP-VIFPVBQESA-N 0 0 173.215 2.337 10 30 AEEERN CC(C)N1CCCC(C)(C)[C@@H]1C#N 34278004 343115337 /nfs/dbraw/zinc/11/53/37/343115337.db2.gz IJBPPYQOEMPQIE-JTQLQIEISA-N 0 0 180.295 2.409 10 30 AEEERN CC(C)N1CCCC(C)(C)[C@H]1C#N 34278005 343115300 /nfs/dbraw/zinc/11/53/00/343115300.db2.gz IJBPPYQOEMPQIE-SNVBAGLBSA-N 0 0 180.295 2.409 10 30 AEEERN CCCCNC1=CC(=O)CCC1 34287960 343115612 /nfs/dbraw/zinc/11/56/12/343115612.db2.gz VURPBKAPXPIGHO-UHFFFAOYSA-N 0 0 167.252 2.013 10 30 AEEERN C#C[C@H](O)C(C)(C)CCCC 34308112 343116356 /nfs/dbraw/zinc/11/63/56/343116356.db2.gz YRMRNHMBKKUDQO-VIFPVBQESA-N 0 0 154.253 2.197 10 30 AEEERN CC(C)C[C@@H](C#N)CC#N 35274723 343130647 /nfs/dbraw/zinc/13/06/47/343130647.db2.gz KOINRLSRVTULIE-QMMMGPOBSA-N 0 0 136.198 2.086 10 30 AEEERN N#CC1(C(=O)c2ccccc2)CC1 34368799 343117291 /nfs/dbraw/zinc/11/72/91/343117291.db2.gz BFTNAMCEYMRHDC-UHFFFAOYSA-N 0 0 171.199 2.173 10 30 AEEERN N#CC1(C(=O)c2ccc(F)cc2)CC1 34368800 343117495 /nfs/dbraw/zinc/11/74/95/343117495.db2.gz UGKAIJZYGNDHQG-UHFFFAOYSA-N 0 0 189.189 2.312 10 30 AEEERN CO/N=C(\C)C(C)(C)C 34370727 343117964 /nfs/dbraw/zinc/11/79/64/343117964.db2.gz RSDBIILYUSBYAT-SOFGYWHQSA-N 0 0 129.203 2.055 10 30 AEEERN CC/C(C)=N/[S@](=O)C(C)(C)C 34408279 343118137 /nfs/dbraw/zinc/11/81/37/343118137.db2.gz FCWXOBQEDLCCGF-DJYGCBNOSA-N 0 0 175.297 2.320 10 30 AEEERN CC/C(C)=N/[S@@](=O)C(C)(C)C 34408278 343118264 /nfs/dbraw/zinc/11/82/64/343118264.db2.gz FCWXOBQEDLCCGF-MXMFLMJRSA-N 0 0 175.297 2.320 10 30 AEEERN O=C1C=C[C@]2(F)CCCCC2=C1 34410292 343118408 /nfs/dbraw/zinc/11/84/08/343118408.db2.gz SSYZGCWMCVRBLG-SNVBAGLBSA-N 0 0 166.195 2.334 10 30 AEEERN C#CC(C)(C)Oc1ccccc1 34410868 343118589 /nfs/dbraw/zinc/11/85/89/343118589.db2.gz QICZZGHTQSNEFW-UHFFFAOYSA-N 0 0 160.216 2.477 10 30 AEEERN Cc1[nH]cnc1-c1ccc(C#N)cc1 34414076 343118981 /nfs/dbraw/zinc/11/89/81/343118981.db2.gz OSAIXAIQKDXJEE-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C=C(C(=O)OC)[C@@H](F)c1ccccc1 34455270 343119715 /nfs/dbraw/zinc/11/97/15/343119715.db2.gz CHVHNNVOVDZBRH-SNVBAGLBSA-N 0 0 194.205 2.426 10 30 AEEERN CC(C)(C=O)Oc1ccccc1F 34496564 343120440 /nfs/dbraw/zinc/12/04/40/343120440.db2.gz FCXMUQQMAGRWMY-UHFFFAOYSA-N 0 0 182.194 2.182 10 30 AEEERN CC(C)(C=O)Oc1ccc(F)cc1 34496556 343120470 /nfs/dbraw/zinc/12/04/70/343120470.db2.gz PCNARQCRAQTQLR-UHFFFAOYSA-N 0 0 182.194 2.182 10 30 AEEERN CC(=O)/C(C)=C/c1ccncc1 34515093 343120825 /nfs/dbraw/zinc/12/08/25/343120825.db2.gz MPHVKAXVVWOOLS-BQYQJAHWSA-N 0 0 161.204 2.074 10 30 AEEERN Cc1ccc(CCC=O)c(C)c1 34515073 343120854 /nfs/dbraw/zinc/12/08/54/343120854.db2.gz RQYHMTCEAIWOPC-UHFFFAOYSA-N 0 0 162.232 2.435 10 30 AEEERN CC[C@@]1(C#N)Cc2ccccc2O1 34527593 343121032 /nfs/dbraw/zinc/12/10/32/343121032.db2.gz URYZSPIYMNYXSS-NSHDSACASA-N 0 0 173.215 2.294 10 30 AEEERN C=C(C)C(=O)Oc1ccccc1C 34539386 343121060 /nfs/dbraw/zinc/12/10/60/343121060.db2.gz HEXDQNXIVJEYLG-UHFFFAOYSA-N 0 0 176.215 2.477 10 30 AEEERN CC[C@]1(C#N)Cc2ccccc2O1 34527592 343121161 /nfs/dbraw/zinc/12/11/61/343121161.db2.gz URYZSPIYMNYXSS-LLVKDONJSA-N 0 0 173.215 2.294 10 30 AEEERN C=CCc1ccc(O)cc1OC 34530612 343121189 /nfs/dbraw/zinc/12/11/89/343121189.db2.gz PIVOEPRHDITPMT-UHFFFAOYSA-N 0 0 164.204 2.129 10 30 AEEERN CCCC#Cc1ccccc1N 34567016 343122190 /nfs/dbraw/zinc/12/21/90/343122190.db2.gz NEAJPSVKPJZQBU-UHFFFAOYSA-N 0 0 159.232 2.420 10 30 AEEERN CC1=CCCCCCC1=O 34566662 343122203 /nfs/dbraw/zinc/12/22/03/343122203.db2.gz CCQIIRJVMGGWIC-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN C=C[C@H]1CN1Cc1ccccc1 34582657 343122465 /nfs/dbraw/zinc/12/24/65/343122465.db2.gz VZNVWCSXXYJGLP-PXYINDEMSA-N 0 0 159.232 2.057 10 30 AEEERN CC[C@]1(c2ccccc2)CO1 34596314 343122838 /nfs/dbraw/zinc/12/28/38/343122838.db2.gz VDYFBUQWGZXAPA-SNVBAGLBSA-N 0 0 148.205 2.322 10 30 AEEERN CC[C@@]1(c2ccccc2)CO1 34596315 343122880 /nfs/dbraw/zinc/12/28/80/343122880.db2.gz VDYFBUQWGZXAPA-JTQLQIEISA-N 0 0 148.205 2.322 10 30 AEEERN C[C@@]1(Cc2ccccc2)CO1 34596317 343122893 /nfs/dbraw/zinc/12/28/93/343122893.db2.gz HXDOYMSDQUBFHJ-SNVBAGLBSA-N 0 0 148.205 2.018 10 30 AEEERN C[C@]1(Cc2ccccc2)CO1 34596316 343122956 /nfs/dbraw/zinc/12/29/56/343122956.db2.gz HXDOYMSDQUBFHJ-JTQLQIEISA-N 0 0 148.205 2.018 10 30 AEEERN CC(C)[C@@H](C=O)OCc1ccccc1 34599610 343123077 /nfs/dbraw/zinc/12/30/77/343123077.db2.gz VUURQDUGKXVUFO-GFCCVEGCSA-N 0 0 192.258 2.427 10 30 AEEERN N#CC1CC(Oc2ccccc2)C1 34617120 343123397 /nfs/dbraw/zinc/12/33/97/343123397.db2.gz JOIGOURSUZVAOG-UHFFFAOYSA-N 0 0 173.215 2.368 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1CO 34617752 343123421 /nfs/dbraw/zinc/12/34/21/343123421.db2.gz MJJQXHAJOZSAFP-UTLUCORTSA-N 0 0 154.253 2.217 10 30 AEEERN CC[C@@](O)(CC#N)c1ccccc1 34615830 343123588 /nfs/dbraw/zinc/12/35/88/343123588.db2.gz KAGWWLVKYHUJJI-LLVKDONJSA-N 0 0 175.231 2.198 10 30 AEEERN CC/C(Cc1ccccc1)=N\O 34617902 343123607 /nfs/dbraw/zinc/12/36/07/343123607.db2.gz UBQQQMMMFFWYGN-ZHACJKMWSA-N 0 0 163.220 2.469 10 30 AEEERN C=C[C@H](C)ONCc1ccccc1 34622077 343123801 /nfs/dbraw/zinc/12/38/01/343123801.db2.gz GAMGQYKAMHZBKL-JTQLQIEISA-N 0 0 177.247 2.282 10 30 AEEERN C=CC[S@@](=O)c1ccc(C)cc1 34622142 343123841 /nfs/dbraw/zinc/12/38/41/343123841.db2.gz LFVGJPZLPJBICF-LBPRGKRZSA-N 0 0 180.272 2.289 10 30 AEEERN CC(=O)C=C(C)NC1CCCCC1 34622154 343123878 /nfs/dbraw/zinc/12/38/78/343123878.db2.gz SLJGTNSTCRGAEJ-HJWRWDBZSA-N 0 0 181.279 2.402 10 30 AEEERN C=C[C@@H](C)ONCc1ccccc1 34622078 343123889 /nfs/dbraw/zinc/12/38/89/343123889.db2.gz GAMGQYKAMHZBKL-SNVBAGLBSA-N 0 0 177.247 2.282 10 30 AEEERN C/C=C(\C)C1=CC(=O)C(C)(C)O1 34621889 343123890 /nfs/dbraw/zinc/12/38/90/343123890.db2.gz IBVMJBOJAXWZGW-FNORWQNLSA-N 0 0 166.220 2.214 10 30 AEEERN Cc1ccn2cc(CS)nc2c1 34627909 343124056 /nfs/dbraw/zinc/12/40/56/343124056.db2.gz WISVAXLVEHXJRJ-UHFFFAOYSA-N 0 0 178.260 2.073 10 30 AEEERN CCOCC#Cc1ccccc1 34808931 343125263 /nfs/dbraw/zinc/12/52/63/343125263.db2.gz ACXLHZKVVCFAGY-UHFFFAOYSA-N 0 0 160.216 2.075 10 30 AEEERN C=CCS[C@@H]1CCCC(=O)C1 34892613 343125418 /nfs/dbraw/zinc/12/54/18/343125418.db2.gz ALCKSGIEWKWAHE-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN C=CCS[C@H]1CCCC(=O)C1 34892614 343125488 /nfs/dbraw/zinc/12/54/88/343125488.db2.gz ALCKSGIEWKWAHE-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN C=CC[C@@H](OC(C)=O)c1ccco1 34843023 343125542 /nfs/dbraw/zinc/12/55/42/343125542.db2.gz QHZMBJOQUONRJX-SNVBAGLBSA-N 0 0 180.203 2.460 10 30 AEEERN CCC1CCC(C#N)(NC)CC1 34939467 343125802 /nfs/dbraw/zinc/12/58/02/343125802.db2.gz AMLZNTXNGUMVDE-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN Cc1cc(C)c(C)c(OC[C@H]2CO2)c1 34937972 343125882 /nfs/dbraw/zinc/12/58/82/343125882.db2.gz DRVTXNUQHOXWCA-LLVKDONJSA-N 0 0 192.258 2.389 10 30 AEEERN CCCN[C@@](C)(C#N)CC(C)C 34939506 343125992 /nfs/dbraw/zinc/12/59/92/343125992.db2.gz WEIAKXISMOYSDN-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN CCCN[C@@]1(C#N)CCCC[C@@H]1C 34939515 343126241 /nfs/dbraw/zinc/12/62/41/343126241.db2.gz MTTWEBFJIQXLLX-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN Cc1cc(C)c(C)c(OC[C@@H]2CO2)c1 34937971 343126079 /nfs/dbraw/zinc/12/60/79/343126079.db2.gz DRVTXNUQHOXWCA-NSHDSACASA-N 0 0 192.258 2.389 10 30 AEEERN CCCN[C@@]1(C#N)CCC[C@H](C)C1 34939511 343126273 /nfs/dbraw/zinc/12/62/73/343126273.db2.gz FBOFMBLLFPQLNW-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CCCN[C@@]1(C#N)CCCC[C@H]1C 34939517 343126434 /nfs/dbraw/zinc/12/64/34/343126434.db2.gz MTTWEBFJIQXLLX-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CCCNC(C#N)(CC)CC 34939520 343126390 /nfs/dbraw/zinc/12/63/90/343126390.db2.gz SZLGMGCALDMYTB-UHFFFAOYSA-N 0 0 154.257 2.068 10 30 AEEERN CCCN[C@@]1(C#N)CCC[C@@H](C)C1 34939513 343126412 /nfs/dbraw/zinc/12/64/12/343126412.db2.gz FBOFMBLLFPQLNW-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CCCN[C@H](C#N)c1ccsc1 34939519 343126464 /nfs/dbraw/zinc/12/64/64/343126464.db2.gz RIZSJSJRPDUAAV-SECBINFHSA-N 0 0 180.276 2.312 10 30 AEEERN C[C@H](C#N)C(=O)c1ccc(F)cc1F 34975762 343126610 /nfs/dbraw/zinc/12/66/10/343126610.db2.gz FXSMAAQMDHNLCO-ZCFIWIBFSA-N 0 0 195.168 2.307 10 30 AEEERN CC(C)Cc1csc(N)c1C#N 34974891 343126740 /nfs/dbraw/zinc/12/67/40/343126740.db2.gz BJOGQYNIDBPSNX-UHFFFAOYSA-N 0 0 180.276 2.400 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1ccccc1 34986054 343126992 /nfs/dbraw/zinc/12/69/92/343126992.db2.gz GJCIYUBEISDBDK-NXEZZACHSA-N 0 0 174.247 2.249 10 30 AEEERN C=CC[C@H](O)C[C@H](O)CCCCC 34997026 343127013 /nfs/dbraw/zinc/12/70/13/343127013.db2.gz XVPWDHAGSBBZCU-WDEREUQCSA-N 0 0 186.295 2.255 10 30 AEEERN Cc1c(C#N)c(N)n(C(C)C)c1C 34976235 343127283 /nfs/dbraw/zinc/12/72/83/343127283.db2.gz YOWGKPFABQUTFX-UHFFFAOYSA-N 0 0 177.251 2.140 10 30 AEEERN C=CCN(CC=C)CC(=C)Cl 35052501 343127472 /nfs/dbraw/zinc/12/74/72/343127472.db2.gz DBOVSKPKDGBQRP-UHFFFAOYSA-N 0 0 171.671 2.413 10 30 AEEERN CC(C)(C)C#C[C@H](O)c1ccco1 35031830 343127570 /nfs/dbraw/zinc/12/75/70/343127570.db2.gz SFZBQANCCRCYTF-VIFPVBQESA-N 0 0 178.231 2.363 10 30 AEEERN O=CCCc1cc(F)cc(F)c1 35067865 343127640 /nfs/dbraw/zinc/12/76/40/343127640.db2.gz NJAUQMVRMVVAMV-UHFFFAOYSA-N 0 0 170.158 2.096 10 30 AEEERN CC1(C)CCCC[C@]12CO2 36466164 343146325 /nfs/dbraw/zinc/14/63/25/343146325.db2.gz WYELSWCDEIETOL-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN CC(C)C[C@H](C#N)CC#N 35274717 343130869 /nfs/dbraw/zinc/13/08/69/343130869.db2.gz KOINRLSRVTULIE-MRVPVSSYSA-N 0 0 136.198 2.086 10 30 AEEERN C=CC[C@@H](O)C#CCCCC 35330068 343132093 /nfs/dbraw/zinc/13/20/93/343132093.db2.gz IRGFXTRVFFDKNK-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN CC[C@@H](C)/C(C)=N/OC 35962173 343139920 /nfs/dbraw/zinc/13/99/20/343139920.db2.gz RSFMBGWJZBVQRU-UCTBAKFRSA-N 0 0 129.203 2.055 10 30 AEEERN C[C@@H](CC#N)c1ccccn1 35904533 343139950 /nfs/dbraw/zinc/13/99/50/343139950.db2.gz JYZNAXJBNZYALV-QMMMGPOBSA-N 0 0 146.193 2.099 10 30 AEEERN N#CCSc1ccc(C#N)cc1 35986296 343140030 /nfs/dbraw/zinc/14/00/30/343140030.db2.gz CYBXVXVWXHSOSR-UHFFFAOYSA-N 0 0 174.228 2.174 10 30 AEEERN C[C@H](CC#N)c1ccccn1 35904534 343140040 /nfs/dbraw/zinc/14/00/40/343140040.db2.gz JYZNAXJBNZYALV-MRVPVSSYSA-N 0 0 146.193 2.099 10 30 AEEERN C=CCOC(=O)/N=C/c1ccccc1 35882014 343140135 /nfs/dbraw/zinc/14/01/35/343140135.db2.gz JWZYXTMEOFQNTQ-FMIVXFBMSA-N 0 0 189.214 2.428 10 30 AEEERN CC[C@H](C)/C(C)=N/OC 35962175 343140155 /nfs/dbraw/zinc/14/01/55/343140155.db2.gz RSFMBGWJZBVQRU-KRHCVIHDSA-N 0 0 129.203 2.055 10 30 AEEERN C[C@@]1(c2ccc(F)c(F)c2)CO1 36156227 343140631 /nfs/dbraw/zinc/14/06/31/343140631.db2.gz NKNYRUJMBJSIEE-VIFPVBQESA-N 0 0 170.158 2.210 10 30 AEEERN C[C@]1(c2cc(F)ccc2F)CO1 36156231 343140692 /nfs/dbraw/zinc/14/06/92/343140692.db2.gz IGMSPIZVCOUBBK-SECBINFHSA-N 0 0 170.158 2.210 10 30 AEEERN C[C@@]1(c2cc(F)ccc2F)CO1 36156233 343140781 /nfs/dbraw/zinc/14/07/81/343140781.db2.gz IGMSPIZVCOUBBK-VIFPVBQESA-N 0 0 170.158 2.210 10 30 AEEERN C[C@H](C=O)c1cc(F)ccc1F 36156230 343140840 /nfs/dbraw/zinc/14/08/40/343140840.db2.gz OSJOKWWQXFGECC-ZCFIWIBFSA-N 0 0 170.158 2.267 10 30 AEEERN C[C@]1(c2ccc(F)c(F)c2)CO1 36156225 343140898 /nfs/dbraw/zinc/14/08/98/343140898.db2.gz NKNYRUJMBJSIEE-SECBINFHSA-N 0 0 170.158 2.210 10 30 AEEERN Cc1ccc(CCC#N)cc1 36203710 343141603 /nfs/dbraw/zinc/14/16/03/343141603.db2.gz FVQVGHJINHFPLO-UHFFFAOYSA-N 0 0 145.205 2.451 10 30 AEEERN CC[C@](C)(O)C#Cc1cccs1 36420096 343145228 /nfs/dbraw/zinc/14/52/28/343145228.db2.gz HQDPMWHOHZZPGM-JTQLQIEISA-N 0 0 180.272 2.261 10 30 AEEERN CC[C@@](C)(O)C#Cc1cccs1 36420097 343145236 /nfs/dbraw/zinc/14/52/36/343145236.db2.gz HQDPMWHOHZZPGM-SNVBAGLBSA-N 0 0 180.272 2.261 10 30 AEEERN COc1ccc(OCCCC=O)cc1 36420326 343145323 /nfs/dbraw/zinc/14/53/23/343145323.db2.gz SHDCZOUAHWYWDS-UHFFFAOYSA-N 0 0 194.230 2.053 10 30 AEEERN C/C(=N\O)C1CCCC1 36421637 343145352 /nfs/dbraw/zinc/14/53/52/343145352.db2.gz CAWBKSMYCMITEJ-SOFGYWHQSA-N 0 0 127.187 2.027 10 30 AEEERN CCCCC#C[C@@H](O)C(C)C 36419773 343145392 /nfs/dbraw/zinc/14/53/92/343145392.db2.gz GHEHXRGUNOPVKP-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN CCCCC(=O)NC1(C#N)CCCC1 36438480 343145686 /nfs/dbraw/zinc/14/56/86/343145686.db2.gz PJYSXZCTXNJKHW-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN CC=CC(=O)C=C=CCCC 36437671 343145764 /nfs/dbraw/zinc/14/57/64/343145764.db2.gz QDEHSJLTOIUQCR-XBXARRHUSA-N 0 0 150.221 2.325 10 30 AEEERN C[C@H](C#N)Cn1cnc2ccccc21 36667727 343146942 /nfs/dbraw/zinc/14/69/42/343146942.db2.gz AZVLJWSTQRAKAM-SECBINFHSA-N 0 0 185.230 2.196 10 30 AEEERN C[C@H](C#N)CSc1ccccn1 36668331 343147259 /nfs/dbraw/zinc/14/72/59/343147259.db2.gz NXEWWBKIZRBFSK-MRVPVSSYSA-N 0 0 178.260 2.333 10 30 AEEERN CC(C)c1nccn1C[C@@H](C)C#N 36677080 343147577 /nfs/dbraw/zinc/14/75/77/343147577.db2.gz GBXHLQQMSXDPIR-VIFPVBQESA-N 0 0 177.251 2.166 10 30 AEEERN CC[C@H](CC#N)n1nc(C)cc1C 36677510 343147637 /nfs/dbraw/zinc/14/76/37/343147637.db2.gz CROKHGOPFRZKHE-SNVBAGLBSA-N 0 0 177.251 2.365 10 30 AEEERN CC(C)c1nccn1C[C@H](C)C#N 36677081 343147741 /nfs/dbraw/zinc/14/77/41/343147741.db2.gz GBXHLQQMSXDPIR-SECBINFHSA-N 0 0 177.251 2.166 10 30 AEEERN Cc1ccc(F)cc1NCCC#N 36723429 343148313 /nfs/dbraw/zinc/14/83/13/343148313.db2.gz GGZVQNBUIZIEDM-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN N#CCCNc1ccc(F)cc1F 36723432 343148495 /nfs/dbraw/zinc/14/84/95/343148495.db2.gz KNOFNXLVAHMYOF-UHFFFAOYSA-N 0 0 182.173 2.290 10 30 AEEERN N#CCCNc1ccc(F)c(F)c1 36723441 343148506 /nfs/dbraw/zinc/14/85/06/343148506.db2.gz LGXTVHUWQWLZGI-UHFFFAOYSA-N 0 0 182.173 2.290 10 30 AEEERN N#CCCNc1cc(F)ccc1F 36723434 343148626 /nfs/dbraw/zinc/14/86/26/343148626.db2.gz CVDVFCFFMGSMRQ-UHFFFAOYSA-N 0 0 182.173 2.290 10 30 AEEERN Cc1ccc(NCCC#N)cc1F 36723443 343148643 /nfs/dbraw/zinc/14/86/43/343148643.db2.gz CGDKUTNKTLHJTN-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN Cc1ccc(NCCC#N)c(F)c1 36723450 343148648 /nfs/dbraw/zinc/14/86/48/343148648.db2.gz XXJFJBPSILOLCN-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN Cc1ccc(F)c(NCCC#N)c1 36723452 343148690 /nfs/dbraw/zinc/14/86/90/343148690.db2.gz KEPJLVJJZLORNO-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN N#CCCNc1c(F)cccc1F 36723439 343148757 /nfs/dbraw/zinc/14/87/57/343148757.db2.gz RBBGBQKHYMUYRU-UHFFFAOYSA-N 0 0 182.173 2.290 10 30 AEEERN C[C@H]1C[C@@H]1c1ccc(C#N)o1 36893197 343153195 /nfs/dbraw/zinc/15/31/95/343153195.db2.gz CDZAADDJXCGGSF-XPUUQOCRSA-N 0 0 147.177 2.275 10 30 AEEERN C[C@H]1C[C@H]1c1ccc(C#N)o1 36893199 343153370 /nfs/dbraw/zinc/15/33/70/343153370.db2.gz CDZAADDJXCGGSF-POYBYMJQSA-N 0 0 147.177 2.275 10 30 AEEERN N#CCCCOc1ccc(O)cc1 36896729 343153520 /nfs/dbraw/zinc/15/35/20/343153520.db2.gz RWIWCDAFQFPTDB-UHFFFAOYSA-N 0 0 177.203 2.075 10 30 AEEERN CC[C@H](C#N)C(=O)c1ccc(C)o1 36916075 343154227 /nfs/dbraw/zinc/15/42/27/343154227.db2.gz HLZYRLSDHUNZSQ-MRVPVSSYSA-N 0 0 177.203 2.321 10 30 AEEERN Cc1nc([C@H](C)NCCC#N)cs1 36915472 343154280 /nfs/dbraw/zinc/15/42/80/343154280.db2.gz BPJPIZVDAGHRJD-ZETCQYMHSA-N 0 0 195.291 2.016 10 30 AEEERN CC[C@H](C#N)C(=O)c1occc1C 36915913 343154317 /nfs/dbraw/zinc/15/43/17/343154317.db2.gz OGTRNTCIBBKKHQ-MRVPVSSYSA-N 0 0 177.203 2.321 10 30 AEEERN CC[C@H](C#N)C(=O)C(C)(C)C 36915999 343154394 /nfs/dbraw/zinc/15/43/94/343154394.db2.gz IFRCIPCFEYIYEO-SSDOTTSWSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C#N)C(=O)C1CCCC1 36916095 343154402 /nfs/dbraw/zinc/15/44/02/343154402.db2.gz STQPYMXIKOTNOF-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@H](C#N)C(=O)c1ccoc1 36915915 343154414 /nfs/dbraw/zinc/15/44/14/343154414.db2.gz VFKPWWNFXGKENM-SSDOTTSWSA-N 0 0 163.176 2.012 10 30 AEEERN Cc1nc([C@@H](C)NCCC#N)cs1 36915471 343154429 /nfs/dbraw/zinc/15/44/29/343154429.db2.gz BPJPIZVDAGHRJD-SSDOTTSWSA-N 0 0 195.291 2.016 10 30 AEEERN CC(C)N[C@]1(C#N)CCCC[C@H]1C 36924713 343154564 /nfs/dbraw/zinc/15/45/64/343154564.db2.gz PQCDCIOVRTXIDZ-MNOVXSKESA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@]1(C#N)CCC[C@H](C)C1 36924703 343154608 /nfs/dbraw/zinc/15/46/08/343154608.db2.gz CGOFAVMZHQVCRF-WDEREUQCSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCC[C@@H]1C 36924716 343154631 /nfs/dbraw/zinc/15/46/31/343154631.db2.gz PQCDCIOVRTXIDZ-WDEREUQCSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1CCCC[C@@]1(C#N)NC1CC1 36924865 343154649 /nfs/dbraw/zinc/15/46/49/343154649.db2.gz YBQPEADTXFJXJR-ONGXEEELSA-N 0 0 178.279 2.211 10 30 AEEERN CC(C)N[C@]1(C#N)CCC[C@@H](C)C1 36924702 343154653 /nfs/dbraw/zinc/15/46/53/343154653.db2.gz CGOFAVMZHQVCRF-GHMZBOCLSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1CCC[C@](C#N)(NC2CC2)C1 36924858 343154657 /nfs/dbraw/zinc/15/46/57/343154657.db2.gz LDMSNAXMQMYFFD-ONGXEEELSA-N 0 0 178.279 2.211 10 30 AEEERN CC(C)N[C@H](C#N)C1CCCCC1 36924701 343154696 /nfs/dbraw/zinc/15/46/96/343154696.db2.gz CPNAAGXPYHGBSO-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@@H](C#N)C1CCCCC1 36924700 343154744 /nfs/dbraw/zinc/15/47/44/343154744.db2.gz CPNAAGXPYHGBSO-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@@]1(C#N)CCC[C@@H](C)C1 36924704 343154780 /nfs/dbraw/zinc/15/47/80/343154780.db2.gz CGOFAVMZHQVCRF-MNOVXSKESA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@@]1(C#N)CCC[C@H](C)C1 36924705 343154785 /nfs/dbraw/zinc/15/47/85/343154785.db2.gz CGOFAVMZHQVCRF-QWRGUYRKSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)N[C@]1(C#N)CCCC[C@@H]1C 36924714 343154817 /nfs/dbraw/zinc/15/48/17/343154817.db2.gz PQCDCIOVRTXIDZ-QWRGUYRKSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1CCCC[C@]1(C#N)NC1CC1 36924867 343154837 /nfs/dbraw/zinc/15/48/37/343154837.db2.gz YBQPEADTXFJXJR-GXSJLCMTSA-N 0 0 178.279 2.211 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCC[C@H]1C 36924715 343154840 /nfs/dbraw/zinc/15/48/40/343154840.db2.gz PQCDCIOVRTXIDZ-GHMZBOCLSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1CCC[C@@](C#N)(NC2CC2)C1 36924856 343154855 /nfs/dbraw/zinc/15/48/55/343154855.db2.gz LDMSNAXMQMYFFD-GXSJLCMTSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H](C#N)C(=O)c1ccccc1F 36935027 343154965 /nfs/dbraw/zinc/15/49/65/343154965.db2.gz SUDXVLWSQAQDPX-SSDOTTSWSA-N 0 0 177.178 2.168 10 30 AEEERN Cc1cc(C(=O)[C@H](C)C#N)c(C)o1 36931535 343154974 /nfs/dbraw/zinc/15/49/74/343154974.db2.gz ORJMLRRRIDVULF-ZCFIWIBFSA-N 0 0 177.203 2.239 10 30 AEEERN Cc1cc(C(=O)[C@@H](C)C#N)c(C)o1 36931534 343155090 /nfs/dbraw/zinc/15/50/90/343155090.db2.gz ORJMLRRRIDVULF-LURJTMIESA-N 0 0 177.203 2.239 10 30 AEEERN Cc1cccc(C(=O)[C@@H](C)C#N)c1 36931610 343155146 /nfs/dbraw/zinc/15/51/46/343155146.db2.gz BEAPGYVJZPSWBW-VIFPVBQESA-N 0 0 173.215 2.337 10 30 AEEERN C[C@H](C#N)C(=O)CC(C)(C)C 36931563 343155161 /nfs/dbraw/zinc/15/51/61/343155161.db2.gz PUYZITWDUNTSRR-SSDOTTSWSA-N 0 0 153.225 2.151 10 30 AEEERN C[C@H](C#N)C(=O)c1cccc(F)c1 36931617 343155214 /nfs/dbraw/zinc/15/52/14/343155214.db2.gz HBMLRQWDUXAMEZ-SSDOTTSWSA-N 0 0 177.178 2.168 10 30 AEEERN Cc1cccc(C(=O)[C@H](C)C#N)c1 36931611 343155234 /nfs/dbraw/zinc/15/52/34/343155234.db2.gz BEAPGYVJZPSWBW-SECBINFHSA-N 0 0 173.215 2.337 10 30 AEEERN C[C@H](C#N)C(=O)c1cccs1 36931615 343155239 /nfs/dbraw/zinc/15/52/39/343155239.db2.gz BJAACVPBBBEVFT-ZCFIWIBFSA-N 0 0 165.217 2.090 10 30 AEEERN Cc1c(C#N)c(N)n(C(C)(C)C)c1C 36938773 343155403 /nfs/dbraw/zinc/15/54/03/343155403.db2.gz QGMDEWGUIDAPHV-UHFFFAOYSA-N 0 0 191.278 2.314 10 30 AEEERN Cc1c(C#N)c(N)n(CC(C)C)c1C 36938878 343155527 /nfs/dbraw/zinc/15/55/27/343155527.db2.gz UXLVUADACHOAQK-UHFFFAOYSA-N 0 0 191.278 2.215 10 30 AEEERN C[C@H](C#N)CNc1ccccc1C#N 36985024 343156633 /nfs/dbraw/zinc/15/66/33/343156633.db2.gz WPWNRABHYHUERT-SECBINFHSA-N 0 0 185.230 2.130 10 30 AEEERN CN(c1ccc(C#N)cc1)C1CC1 37023852 343157976 /nfs/dbraw/zinc/15/79/76/343157976.db2.gz XHNSNKMBQYEJJZ-UHFFFAOYSA-N 0 0 172.231 2.157 10 30 AEEERN CCCN(C)c1ccccc1C#N 37098614 343159702 /nfs/dbraw/zinc/15/97/02/343159702.db2.gz ZMQPYWBZDWKUIV-UHFFFAOYSA-N 0 0 174.247 2.404 10 30 AEEERN Cc1nccn1[C@H]1CCC[C@H]1C#N 37147441 343160810 /nfs/dbraw/zinc/16/08/10/343160810.db2.gz DOKNFNYYGURCFB-UWVGGRQHSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1nccn1[C@@H]1CCC[C@H]1C#N 37147440 343160817 /nfs/dbraw/zinc/16/08/17/343160817.db2.gz DOKNFNYYGURCFB-VHSXEESVSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1nccn1[C@H]1CCCC[C@H]1C#N 37147413 343160837 /nfs/dbraw/zinc/16/08/37/343160837.db2.gz RNRFSZHMAKSPMV-QWRGUYRKSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1nccn1[C@@H]1CCCC[C@@H]1C#N 37147410 343160993 /nfs/dbraw/zinc/16/09/93/343160993.db2.gz RNRFSZHMAKSPMV-GHMZBOCLSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1cc(C)n([C@@H]2CCC[C@@H]2C#N)n1 37147474 343161007 /nfs/dbraw/zinc/16/10/07/343161007.db2.gz NJRQDXTVOGZPLK-GHMZBOCLSA-N 0 0 189.262 2.365 10 30 AEEERN Cc1nccn1[C@H]1CCCC[C@@H]1C#N 37147411 343161019 /nfs/dbraw/zinc/16/10/19/343161019.db2.gz RNRFSZHMAKSPMV-MNOVXSKESA-N 0 0 189.262 2.446 10 30 AEEERN Cc1cc(C)n([C@H]2CCC[C@@H]2C#N)n1 37147475 343161026 /nfs/dbraw/zinc/16/10/26/343161026.db2.gz NJRQDXTVOGZPLK-MNOVXSKESA-N 0 0 189.262 2.365 10 30 AEEERN Cc1nccn1[C@@H]1CCC[C@@H]1C#N 37147438 343161066 /nfs/dbraw/zinc/16/10/66/343161066.db2.gz DOKNFNYYGURCFB-NXEZZACHSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1nccn1[C@H]1CCC[C@@H]1C#N 37147439 343161109 /nfs/dbraw/zinc/16/11/09/343161109.db2.gz DOKNFNYYGURCFB-ZJUUUORDSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1cc(C)n([C@@H]2CCC[C@H]2C#N)n1 37147476 343161122 /nfs/dbraw/zinc/16/11/22/343161122.db2.gz NJRQDXTVOGZPLK-WDEREUQCSA-N 0 0 189.262 2.365 10 30 AEEERN Cc1nccn1[C@@H]1CCCC[C@H]1C#N 37147412 343161156 /nfs/dbraw/zinc/16/11/56/343161156.db2.gz RNRFSZHMAKSPMV-WDEREUQCSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1cc(N)ccc1SCC#N 37193915 343162500 /nfs/dbraw/zinc/16/25/00/343162500.db2.gz UALSVDFQQJICHM-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN Cc1ccc(SCC#N)c(N)c1 37193262 343162528 /nfs/dbraw/zinc/16/25/28/343162528.db2.gz BAWPWKYQODDVTI-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN Cc1[nH]c2ccc(O)cc2c1C#N 37239632 343163381 /nfs/dbraw/zinc/16/33/81/343163381.db2.gz DBJDRFMQPPWZEL-UHFFFAOYSA-N 0 0 172.187 2.054 10 30 AEEERN C[C@H]1CCC[C@@](C#N)(N(C)C)C1 37355101 343165696 /nfs/dbraw/zinc/16/56/96/343165696.db2.gz WCRORNVZQAPLAU-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1ccc([C@H](C#N)N(C)C)cc1C 37355004 343165700 /nfs/dbraw/zinc/16/57/00/343165700.db2.gz RKCADVHOMREJIZ-LBPRGKRZSA-N 0 0 188.274 2.430 10 30 AEEERN CN(C)[C@H](C#N)c1cc(F)ccc1F 37354976 343165766 /nfs/dbraw/zinc/16/57/66/343165766.db2.gz KDEXIKIMXGFILD-SNVBAGLBSA-N 0 0 196.200 2.091 10 30 AEEERN CCC(C#N)(CC)N1CCCC1 37355409 343165777 /nfs/dbraw/zinc/16/57/77/343165777.db2.gz PRNBXNNUDKSNPC-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN CN(C)C1(C#N)CCCCCC1 37354800 343165812 /nfs/dbraw/zinc/16/58/12/343165812.db2.gz LGXGWIBOCAZRNX-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN Cc1ccc([C@@H](C#N)N(C)C)cc1C 37355002 343165826 /nfs/dbraw/zinc/16/58/26/343165826.db2.gz RKCADVHOMREJIZ-GFCCVEGCSA-N 0 0 188.274 2.430 10 30 AEEERN C[C@H]1CCCC[C@@]1(C#N)N(C)C 37355075 343165829 /nfs/dbraw/zinc/16/58/29/343165829.db2.gz XFAMEGUWZXGDDD-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CN(C)[C@H](C#N)C1CCCCC1 37354899 343165834 /nfs/dbraw/zinc/16/58/34/343165834.db2.gz QGLRHDDBLIOBRB-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H]1CCC[C@](C#N)(N(C)C)C1 37355105 343165874 /nfs/dbraw/zinc/16/58/74/343165874.db2.gz WCRORNVZQAPLAU-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)[C@@](C)(C#N)N1CCCCC1 37356902 343165989 /nfs/dbraw/zinc/16/59/89/343165989.db2.gz WCDKKHQFLHHPPQ-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@](C)(C#N)N1CCCCC1 37356862 343166002 /nfs/dbraw/zinc/16/60/02/343166002.db2.gz LHMQKFVHWCJBNX-SNVBAGLBSA-N 0 0 166.268 2.165 10 30 AEEERN C[C@H]1CCCC[C@]1(C#N)N(C)C 37355079 343166028 /nfs/dbraw/zinc/16/60/28/343166028.db2.gz XFAMEGUWZXGDDD-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)[C@](C)(C#N)N1CCCCC1 37356905 343166042 /nfs/dbraw/zinc/16/60/42/343166042.db2.gz WCDKKHQFLHHPPQ-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CN(C)[C@H](C#N)c1ccc(F)c(F)c1 37355069 343166063 /nfs/dbraw/zinc/16/60/63/343166063.db2.gz SZLBJKKNVRHUAS-SNVBAGLBSA-N 0 0 196.200 2.091 10 30 AEEERN CC(C)Cc1ccc(C#CCO)cc1 37470693 343169875 /nfs/dbraw/zinc/16/98/75/343169875.db2.gz XENQAVIJNYCJDA-UHFFFAOYSA-N 0 0 188.270 2.229 10 30 AEEERN Cc1cc(C)c(C)c(C#CCO)c1C 37470668 343169995 /nfs/dbraw/zinc/16/99/95/343169995.db2.gz YWVSPGSAMZBGJN-UHFFFAOYSA-N 0 0 188.270 2.264 10 30 AEEERN Cc1ccc(C)c(C#CCCO)c1 37470655 343170073 /nfs/dbraw/zinc/17/00/73/343170073.db2.gz RSJDGUCQTCCFLK-UHFFFAOYSA-N 0 0 174.243 2.037 10 30 AEEERN Cc1cc(C)c(C#CCCO)c(C)c1 37470676 343170105 /nfs/dbraw/zinc/17/01/05/343170105.db2.gz LPCATBMNQHOZIG-UHFFFAOYSA-N 0 0 188.270 2.346 10 30 AEEERN CC(=O)C[C@@H](CC=O)c1ccccc1 37631509 343172702 /nfs/dbraw/zinc/17/27/02/343172702.db2.gz SLPNRCMDPFEFJW-GFCCVEGCSA-N 0 0 190.242 2.338 10 30 AEEERN CC(=O)C[C@H](CC=O)c1ccccc1 37631511 343172825 /nfs/dbraw/zinc/17/28/25/343172825.db2.gz SLPNRCMDPFEFJW-LBPRGKRZSA-N 0 0 190.242 2.338 10 30 AEEERN Cc1cnn([C@H]2CCCC[C@@H]2C#N)c1 37677324 343173719 /nfs/dbraw/zinc/17/37/19/343173719.db2.gz YDVDQBIUINKBLB-MNOVXSKESA-N 0 0 189.262 2.446 10 30 AEEERN Cc1cnn([C@@H]2CCCC[C@@H]2C#N)c1 37677323 343173769 /nfs/dbraw/zinc/17/37/69/343173769.db2.gz YDVDQBIUINKBLB-GHMZBOCLSA-N 0 0 189.262 2.446 10 30 AEEERN CC[C@H](CC#N)n1cc(C)cn1 37677281 343173792 /nfs/dbraw/zinc/17/37/92/343173792.db2.gz HXIBPSPZBNAQIB-SECBINFHSA-N 0 0 163.224 2.056 10 30 AEEERN C1CCC(SC[C@@H]2CO2)CC1 37685863 343174243 /nfs/dbraw/zinc/17/42/43/343174243.db2.gz DBGLJLJEKJZHCK-QMMMGPOBSA-N 0 0 172.293 2.451 10 30 AEEERN Cc1cc(C#N)ccc1-n1ccnc1 37732976 343176566 /nfs/dbraw/zinc/17/65/66/343176566.db2.gz RZSHETAULWNNIN-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN CC[C@H](C)Oc1ccc(C#N)cc1N 37715639 343176722 /nfs/dbraw/zinc/17/67/22/343176722.db2.gz NUKSUCREKYRRRX-QMMMGPOBSA-N 0 0 190.246 2.318 10 30 AEEERN CC[C@H](C)[C@](C)(C#N)N1CCCC1 37745433 343177028 /nfs/dbraw/zinc/17/70/28/343177028.db2.gz KDCQSYUNFLGCTI-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCCC1CCC(N)(C#N)CC1 37743021 343177151 /nfs/dbraw/zinc/17/71/51/343177151.db2.gz QWMZURSJPGZWCM-UHFFFAOYSA-N 0 0 166.268 2.198 10 30 AEEERN CCCC1CCC(C#N)(NC)CC1 37743031 343177252 /nfs/dbraw/zinc/17/72/52/343177252.db2.gz ZTDIRZFPBMETJM-UHFFFAOYSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@H](C)[C@@](C)(C#N)N1CCCC1 37745431 343177301 /nfs/dbraw/zinc/17/73/01/343177301.db2.gz KDCQSYUNFLGCTI-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1cc(C)cc(C#CCCO)c1 37746279 343177660 /nfs/dbraw/zinc/17/76/60/343177660.db2.gz BKOIRRWVIRLCNB-UHFFFAOYSA-N 0 0 174.243 2.037 10 30 AEEERN CC(C)Sc1ncc(N)cc1C#N 37759458 343178016 /nfs/dbraw/zinc/17/80/16/343178016.db2.gz WXWXQBPVFKCKQL-UHFFFAOYSA-N 0 0 193.275 2.036 10 30 AEEERN C[C@H](CC#N)Nc1ccccc1C#N 37871242 343179375 /nfs/dbraw/zinc/17/93/75/343179375.db2.gz DQMUCTMOQISNBH-SECBINFHSA-N 0 0 185.230 2.272 10 30 AEEERN Cc1ccc(N[C@@H](C)C#N)cc1 37935623 343181945 /nfs/dbraw/zinc/18/19/45/343181945.db2.gz BLCOSAHBLYPSRC-VIFPVBQESA-N 0 0 160.220 2.319 10 30 AEEERN Cc1cccc(N[C@H](C)C#N)c1 37936827 343182457 /nfs/dbraw/zinc/18/24/57/343182457.db2.gz DYGWGCFRLRZYBZ-SECBINFHSA-N 0 0 160.220 2.319 10 30 AEEERN CC(C)[C@](C)(C#N)NC1CCCC1 37968385 343182514 /nfs/dbraw/zinc/18/25/14/343182514.db2.gz HNANLIOGESOISW-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN Cc1cccc(N[C@@H](C)C#N)c1 37936826 343182519 /nfs/dbraw/zinc/18/25/19/343182519.db2.gz DYGWGCFRLRZYBZ-VIFPVBQESA-N 0 0 160.220 2.319 10 30 AEEERN CC(C)[C@@](C)(C#N)NC1CCCC1 37968384 343182550 /nfs/dbraw/zinc/18/25/50/343182550.db2.gz HNANLIOGESOISW-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)Nc1ccc(OC)cc1 37936587 343182668 /nfs/dbraw/zinc/18/26/68/343182668.db2.gz LOTXDCQMGAMNCL-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN C[C@H](C#N)Nc1ccc(F)cc1 37935881 343182676 /nfs/dbraw/zinc/18/26/76/343182676.db2.gz KMWRISRTGYELKS-SSDOTTSWSA-N 0 0 164.183 2.150 10 30 AEEERN CC[C@@](C)(C#N)NC1CCCC1 37968520 343183012 /nfs/dbraw/zinc/18/30/12/343183012.db2.gz NQDWXVXASJVVFJ-JTQLQIEISA-N 0 0 166.268 2.211 10 30 AEEERN CCc1ccc([C@@H](C)NCC#N)cc1 37980682 343183032 /nfs/dbraw/zinc/18/30/32/343183032.db2.gz QKLJKYGMPADXNL-SNVBAGLBSA-N 0 0 188.274 2.423 10 30 AEEERN CC[C@H](CC#N)SC 38063638 343184134 /nfs/dbraw/zinc/18/41/34/343184134.db2.gz GNXPZTPCCFQMRF-ZCFIWIBFSA-N 0 0 129.228 2.042 10 30 AEEERN CC[C@@H](CC#N)SC 38063637 343183958 /nfs/dbraw/zinc/18/39/58/343183958.db2.gz GNXPZTPCCFQMRF-LURJTMIESA-N 0 0 129.228 2.042 10 30 AEEERN CC[C@H](C#N)N1CCCCCC1 38086278 343184554 /nfs/dbraw/zinc/18/45/54/343184554.db2.gz SUQCVFICJYIBJY-SNVBAGLBSA-N 0 0 166.268 2.165 10 30 AEEERN C[C@H](C#N)C(=O)CC1CCCC1 38137656 343185612 /nfs/dbraw/zinc/18/56/12/343185612.db2.gz QANZLHIWNPEZQI-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN C=C(C)C(=O)C(=C)C(F)(F)F 38220394 343185700 /nfs/dbraw/zinc/18/57/00/343185700.db2.gz UDZMDKJRLYFLHY-UHFFFAOYSA-N 0 0 164.126 2.250 10 30 AEEERN COc1cccc(C#CC2CC2)c1 38234338 343185903 /nfs/dbraw/zinc/18/59/03/343185903.db2.gz NFATVQMGNFXWRE-UHFFFAOYSA-N 0 0 172.227 2.457 10 30 AEEERN C=CC[C@@H](CO)Cc1ccccc1 38234716 343185921 /nfs/dbraw/zinc/18/59/21/343185921.db2.gz ADJQINCHTSIJKH-GFCCVEGCSA-N 0 0 176.259 2.414 10 30 AEEERN C=CC[C@H](CO)Cc1ccccc1 38234714 343185976 /nfs/dbraw/zinc/18/59/76/343185976.db2.gz ADJQINCHTSIJKH-LBPRGKRZSA-N 0 0 176.259 2.414 10 30 AEEERN CC/C=N/[S@@](=O)c1ccc(C)cc1 38235099 343186010 /nfs/dbraw/zinc/18/60/10/343186010.db2.gz HQAYHCNFFJGTEZ-RUNBWSAHSA-N 0 0 195.287 2.498 10 30 AEEERN C=C(Cc1ccccc1)C(=O)OCC 38220796 343186045 /nfs/dbraw/zinc/18/60/45/343186045.db2.gz FVLGPYFFONYLRZ-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN C#C[C@@H](CCCCC)OC(=O)OC 38251478 343186153 /nfs/dbraw/zinc/18/61/53/343186153.db2.gz JMGBEKVBBPQNKX-VIFPVBQESA-N 0 0 184.235 2.352 10 30 AEEERN C#C[C@H](CCCCC)OC(=O)OC 38251477 343186176 /nfs/dbraw/zinc/18/61/76/343186176.db2.gz JMGBEKVBBPQNKX-SECBINFHSA-N 0 0 184.235 2.352 10 30 AEEERN C#CC[C@@H](O)/C=C/c1ccccc1 38251269 343186217 /nfs/dbraw/zinc/18/62/17/343186217.db2.gz GFEXJIFQSYBITL-BZYZDCJZSA-N 0 0 172.227 2.084 10 30 AEEERN C#CC[C@H](O)/C=C/c1ccccc1 38251268 343186244 /nfs/dbraw/zinc/18/62/44/343186244.db2.gz GFEXJIFQSYBITL-VMPCVLLUSA-N 0 0 172.227 2.084 10 30 AEEERN S[C@@H]1C=CCCC1 38265116 343186372 /nfs/dbraw/zinc/18/63/72/343186372.db2.gz OTMRJSRKUQXLBW-ZCFIWIBFSA-N 0 0 114.213 2.025 10 30 AEEERN O=CCCCC(=O)c1ccccc1 38282384 343186562 /nfs/dbraw/zinc/18/65/62/343186562.db2.gz WDXWUONTMXSOSW-UHFFFAOYSA-N 0 0 176.215 2.239 10 30 AEEERN C=C1C[C@H](O)c2ccccc21 38301456 343186876 /nfs/dbraw/zinc/18/68/76/343186876.db2.gz FWMZNYAXDOOYJE-JTQLQIEISA-N 0 0 146.189 2.137 10 30 AEEERN C=C1C[C@@H](O)c2ccccc21 38301457 343186957 /nfs/dbraw/zinc/18/69/57/343186957.db2.gz FWMZNYAXDOOYJE-SNVBAGLBSA-N 0 0 146.189 2.137 10 30 AEEERN C=CCCC1(O)CCCC1 38301427 343187028 /nfs/dbraw/zinc/18/70/28/343187028.db2.gz AOWDMRJPCGXUTM-UHFFFAOYSA-N 0 0 140.226 2.258 10 30 AEEERN C#CC(C)(C)Oc1ccc(C=O)cc1 38292927 343187035 /nfs/dbraw/zinc/18/70/35/343187035.db2.gz LVPFMTDPQFCFSL-UHFFFAOYSA-N 0 0 188.226 2.290 10 30 AEEERN C=Cc1ccc(C#N)cc1[N+](=O)[O-] 38363198 343187757 /nfs/dbraw/zinc/18/77/57/343187757.db2.gz NCPRDTNNOOEQLY-UHFFFAOYSA-N 0 0 174.159 2.109 10 30 AEEERN CC(C)(C)Nc1ccncc1C#N 38416101 343188250 /nfs/dbraw/zinc/18/82/50/343188250.db2.gz NHWGSZPIGZGREC-UHFFFAOYSA-N 0 0 175.235 2.164 10 30 AEEERN CO/N=C/c1cccc(Cl)c1 38823922 343190939 /nfs/dbraw/zinc/19/09/39/343190939.db2.gz SSUKSQXEODVMCI-UXBLZVDNSA-N 0 0 169.611 2.320 10 30 AEEERN C/C=N/N(C(C)C)C(C)C 38822326 343190990 /nfs/dbraw/zinc/19/09/90/343190990.db2.gz APXNZZVBAPDZPY-RMKNXTFCSA-N 0 0 142.246 2.111 10 30 AEEERN CN(C)/N=C/CCc1ccccc1 38810337 343191078 /nfs/dbraw/zinc/19/10/78/343191078.db2.gz GDDUTUNPOYLHEQ-ZRDIBKRKSA-N 0 0 176.263 2.167 10 30 AEEERN CO/N=C/c1ccccc1Cl 38823924 343191088 /nfs/dbraw/zinc/19/10/88/343191088.db2.gz VZBJPVGVQZGIFN-UXBLZVDNSA-N 0 0 169.611 2.320 10 30 AEEERN C[C@]12CCC(=O)C=C1CC[C@H]2C#N 38810310 343191175 /nfs/dbraw/zinc/19/11/75/343191175.db2.gz UYIWKJSDHWEWLE-ONGXEEELSA-N 0 0 175.231 2.216 10 30 AEEERN CCN=Nc1ccc(OC)cc1 38888198 343191976 /nfs/dbraw/zinc/19/19/76/343191976.db2.gz JKTLJMSCIJYDAN-XCVCLJGOSA-N 0 0 164.208 2.113 10 30 AEEERN C=CCC(=O)NC1CCCCC1 38949334 343192255 /nfs/dbraw/zinc/19/22/55/343192255.db2.gz XWNSDHLWQKDNNV-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN N#C[C@@H](N)CC1=Cc2ccccc2CC1 38951033 343192304 /nfs/dbraw/zinc/19/23/04/343192304.db2.gz MCCSHBZLJPBOID-ZDUSSCGKSA-N 0 0 198.269 2.257 10 30 AEEERN CC(C)(C)OC1=CC(=O)CCC1 38995853 343192630 /nfs/dbraw/zinc/19/26/30/343192630.db2.gz FDLFCGCBWCJMDP-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN C=CCC[C@@H]1CC[C@@H](O)C1 39017179 343193011 /nfs/dbraw/zinc/19/30/11/343193011.db2.gz KLPUTPSOGISIAR-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN Cc1cc(N(C)C)cc(C)c1/C=N/O 38996504 343193016 /nfs/dbraw/zinc/19/30/16/343193016.db2.gz WGNUBWOFTZCAEM-KPKJPENVSA-N 0 0 192.262 2.178 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1ccccc1 39038617 343193239 /nfs/dbraw/zinc/19/32/39/343193239.db2.gz KCNXDVXKPJLPBY-MWLCHTKSSA-N 0 0 175.231 2.270 10 30 AEEERN CC1=CC(=O)C[C@@H]2CCC=C12 39059063 343195126 /nfs/dbraw/zinc/19/51/26/343195126.db2.gz RLMVJYHLMRHUIX-QMMMGPOBSA-N 0 0 148.205 2.242 10 30 AEEERN C[C@H]1O[C@H]1c1ccccc1F 39088486 343197695 /nfs/dbraw/zinc/19/76/95/343197695.db2.gz BHULILGXGKNHNM-HZGVNTEJSA-N 0 0 152.168 2.286 10 30 AEEERN C[C@H]1O[C@@H]1c1ccccc1F 39088488 343197752 /nfs/dbraw/zinc/19/77/52/343197752.db2.gz BHULILGXGKNHNM-MUWHJKNJSA-N 0 0 152.168 2.286 10 30 AEEERN CC#C[C@@H](C)Oc1ccccc1 39089429 343197780 /nfs/dbraw/zinc/19/77/80/343197780.db2.gz QMYHBQAFSAUCCD-SNVBAGLBSA-N 0 0 160.216 2.477 10 30 AEEERN C#CCn1ccc2cc(OC)ccc21 39090193 343198191 /nfs/dbraw/zinc/19/81/91/343198191.db2.gz FCFIBKAWAUDRJG-UHFFFAOYSA-N 0 0 185.226 2.283 10 30 AEEERN CO/N=C1\CCCc2ccccc21 39111447 343199209 /nfs/dbraw/zinc/19/92/09/343199209.db2.gz ZDJHOSYGYLPXKT-VAWYXSNFSA-N 0 0 175.231 2.373 10 30 AEEERN CC1=C(c2ccc(C#N)cc2)[C@@H](O)CC1 39112697 343199569 /nfs/dbraw/zinc/19/95/69/343199569.db2.gz UOXGBAJEZMBAND-LBPRGKRZSA-N 0 0 199.253 2.486 10 30 AEEERN CC1=C(c2ccc(C#N)cc2)[C@H](O)CC1 39112696 343199734 /nfs/dbraw/zinc/19/97/34/343199734.db2.gz UOXGBAJEZMBAND-GFCCVEGCSA-N 0 0 199.253 2.486 10 30 AEEERN C#CCNc1ccc(C#N)c(Cl)c1 39117206 343201644 /nfs/dbraw/zinc/20/16/44/343201644.db2.gz MXAQXSJQVTXGKP-UHFFFAOYSA-N 0 0 190.633 2.257 10 30 AEEERN CC(C)[C@@H]1O[C@@H]1C(C)C 39131802 343202880 /nfs/dbraw/zinc/20/28/80/343202880.db2.gz IKASFLJHSHDRIQ-OCAPTIKFSA-N 0 0 128.215 2.066 10 30 AEEERN C=C(C)CC(=O)C(F)(F)F 39125634 343203000 /nfs/dbraw/zinc/20/30/00/343203000.db2.gz BIJGIVUBLFYOJW-UHFFFAOYSA-N 0 0 152.115 2.084 10 30 AEEERN C#C[C@@H](C)[C@@H](O)C1CCCCC1 39184843 343205102 /nfs/dbraw/zinc/20/51/02/343205102.db2.gz GAHZVYKRDVCITG-MWLCHTKSSA-N 0 0 166.264 2.197 10 30 AEEERN COc1ccc([C@@H](C)CC=O)cc1 39185040 343205139 /nfs/dbraw/zinc/20/51/39/343205139.db2.gz WXPHSQPAGVEDBR-VIFPVBQESA-N 0 0 178.231 2.388 10 30 in-vitro AEEERN C#C[C@H](C)[C@H](O)C1CCCCC1 39168288 343205284 /nfs/dbraw/zinc/20/52/84/343205284.db2.gz GAHZVYKRDVCITG-ONGXEEELSA-N 0 0 166.264 2.197 10 30 AEEERN COc1ccc([C@H](C)CC=O)cc1 39185041 343205317 /nfs/dbraw/zinc/20/53/17/343205317.db2.gz WXPHSQPAGVEDBR-SECBINFHSA-N 0 0 178.231 2.388 10 30 in-vitro AEEERN C#CCOCc1ccc(C)cc1 39189553 343205538 /nfs/dbraw/zinc/20/55/38/343205538.db2.gz QWNXVMNDPAJUIZ-UHFFFAOYSA-N 0 0 160.216 2.145 10 30 AEEERN C=C(c1ccccc1)[C@H](C)O 39192002 343205554 /nfs/dbraw/zinc/20/55/54/343205554.db2.gz BCHFPTSXLVGIFV-VIFPVBQESA-N 0 0 148.205 2.081 10 30 AEEERN C#C[C@@H](CCCCC)OC(C)=O 39224662 343206669 /nfs/dbraw/zinc/20/66/69/343206669.db2.gz IKEZOEYIWYOVCD-JTQLQIEISA-N 0 0 168.236 2.132 10 30 AEEERN C[C@]1(CCC#N)CCCCC1=O 39221896 343206601 /nfs/dbraw/zinc/20/66/01/343206601.db2.gz DBHUNYNZTIQTNL-SNVBAGLBSA-N 0 0 165.236 2.440 10 30 AEEERN C[C@H](C#N)N(C)c1ccccc1 39233899 343206996 /nfs/dbraw/zinc/20/69/96/343206996.db2.gz HAMNZIGCXKLDPH-SECBINFHSA-N 0 0 160.220 2.035 10 30 AEEERN C[C@H](C=O)c1ccsc1 39234923 343207057 /nfs/dbraw/zinc/20/70/57/343207057.db2.gz YPWGRPBZJBMRBG-ZCFIWIBFSA-N 0 0 140.207 2.051 10 30 AEEERN C=C(Cl)CCC(C)=O 39238929 343207521 /nfs/dbraw/zinc/20/75/21/343207521.db2.gz MKDALUUFNVEHLD-UHFFFAOYSA-N 0 0 132.590 2.108 10 30 AEEERN C[C@H](O)CC1(C#N)CCCCC1 39244999 343207928 /nfs/dbraw/zinc/20/79/28/343207928.db2.gz OLIOFZIIYOLRNG-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC(=O)/C=C/C(C)(C)C 39246236 343207972 /nfs/dbraw/zinc/20/79/72/343207972.db2.gz JKFZQQCNCCECKX-AATRIKPKSA-N 0 0 126.199 2.178 10 30 AEEERN C=C(CCC)C(=O)/C=C/C 39249417 343208371 /nfs/dbraw/zinc/20/83/71/343208371.db2.gz WANNOQNMPVCGNF-FNORWQNLSA-N 0 0 138.210 2.488 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1CO 39257011 343208629 /nfs/dbraw/zinc/20/86/29/343208629.db2.gz MJJQXHAJOZSAFP-KXUCPTDWSA-N 0 0 154.253 2.217 10 30 AEEERN C[C@H]1CCCC[C@H]1C=O 39256153 343208689 /nfs/dbraw/zinc/20/86/89/343208689.db2.gz BXRDRWXTTQUDAR-YUMQZZPRSA-N 0 0 126.199 2.012 10 30 in-vitro AEEERN C=C(C)C(=O)C=C(C)C 39255672 343208693 /nfs/dbraw/zinc/20/86/93/343208693.db2.gz JVBRPAMIBZCVLM-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCC1(C=O)SCCCS1 39256489 343208792 /nfs/dbraw/zinc/20/87/92/343208792.db2.gz JRXRVIPWSUSFIM-UHFFFAOYSA-N 0 0 188.317 2.328 10 30 AEEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1CO 39257012 343208803 /nfs/dbraw/zinc/20/88/03/343208803.db2.gz MJJQXHAJOZSAFP-LPEHRKFASA-N 0 0 154.253 2.217 10 30 AEEERN C[C@H]1CCCC[C@@H]1C=O 39256151 343208821 /nfs/dbraw/zinc/20/88/21/343208821.db2.gz BXRDRWXTTQUDAR-JGVFFNPUSA-N 0 0 126.199 2.012 10 30 in-vitro AEEERN CC(C)C/N=C/c1ccccc1O 39269078 343209080 /nfs/dbraw/zinc/20/90/80/343209080.db2.gz CKIARBBSWICEEJ-XYOKQWHBSA-N 0 0 177.247 2.467 10 30 AEEERN C=C(C)[C@@H]1CC(C(C)=O)=C(C)O1 39271904 343209321 /nfs/dbraw/zinc/20/93/21/343209321.db2.gz XIPFDMHXHFSLPF-JTQLQIEISA-N 0 0 166.220 2.214 10 30 AEEERN C=C[C@H](Cc1ccccc1)OC(C)=O 39291513 343209987 /nfs/dbraw/zinc/20/99/87/343209987.db2.gz BSKDNVHVOLKPFL-GFCCVEGCSA-N 0 0 190.242 2.347 10 30 AEEERN C=C[C@@H](Cc1ccccc1)OC(C)=O 39291515 343210155 /nfs/dbraw/zinc/21/01/55/343210155.db2.gz BSKDNVHVOLKPFL-LBPRGKRZSA-N 0 0 190.242 2.347 10 30 AEEERN C=CCOCc1ccccc1[N+](=O)[O-] 39318415 343210524 /nfs/dbraw/zinc/21/05/24/343210524.db2.gz VDPLWJGLTNSHSW-UHFFFAOYSA-N 0 0 193.202 2.297 10 30 AEEERN CC(=O)C1=C[C@H]2[C@@H](C1)C2(C)C 39309932 343210576 /nfs/dbraw/zinc/21/05/76/343210576.db2.gz XCQUXCRWYHWLSA-DTWKUNHWSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H](CC=O)C(C)(C)C 39338637 343210796 /nfs/dbraw/zinc/21/07/96/343210796.db2.gz LEBVLOLOVGHEFE-SSDOTTSWSA-N 0 0 128.215 2.258 10 30 AEEERN Cc1ccc(N)c(Cl)c1C#N 39348284 343211054 /nfs/dbraw/zinc/21/10/54/343211054.db2.gz ULXMFCXTRMHNKY-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1c(N)ccc(Cl)c1C#N 39348286 343211167 /nfs/dbraw/zinc/21/11/67/343211167.db2.gz ILSMJAFEQDOAFV-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1ccc([N+](=O)[O-])c(Cl)c1C#N 39348291 343211288 /nfs/dbraw/zinc/21/12/88/343211288.db2.gz DKXODNKVMAMTMI-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C[C@@H]1O[C@H]1Cc1ccccc1 39378846 343211517 /nfs/dbraw/zinc/21/15/17/343211517.db2.gz QMIJGRJEXQYRJV-WPRPVWTQSA-N 0 0 148.205 2.016 10 30 AEEERN Cc1cnc(C)c(N=[N+]=[N-])n1 39385191 343211646 /nfs/dbraw/zinc/21/16/46/343211646.db2.gz SNSWHGVBOXMHAS-UHFFFAOYSA-N 0 0 149.157 2.035 10 30 AEEERN C=CCc1ccc(OC[C@@H]2CO2)cc1 39393985 343211764 /nfs/dbraw/zinc/21/17/64/343211764.db2.gz ISEDRJSPYUSVCU-GFCCVEGCSA-N 0 0 190.242 2.193 10 30 AEEERN C#C[C@@H](O)c1ccc(C(C)C)cc1 39398095 343211770 /nfs/dbraw/zinc/21/17/70/343211770.db2.gz HJXHCIGCUICKJP-GFCCVEGCSA-N 0 0 174.243 2.477 10 30 AEEERN N#Cc1ccc(CF)cc1 39399436 343211830 /nfs/dbraw/zinc/21/18/30/343211830.db2.gz HOMGOLHKENPGOG-UHFFFAOYSA-N 0 0 135.141 2.028 10 30 AEEERN CCC(C#N)=NN[C@@H](C#N)CC 39390452 343211843 /nfs/dbraw/zinc/21/18/43/343211843.db2.gz YAAYJRKCGZQWCB-ZKYGQHGUSA-N 0 0 164.212 2.043 10 30 AEEERN CCC(C#N)=NN[C@@H](C#N)CC 39390451 343211862 /nfs/dbraw/zinc/21/18/62/343211862.db2.gz YAAYJRKCGZQWCB-HGMXGGQGSA-N 0 0 164.212 2.043 10 30 AEEERN CCC(C#N)=NN[C@H](C#N)CC 39390450 343211948 /nfs/dbraw/zinc/21/19/48/343211948.db2.gz YAAYJRKCGZQWCB-GDKMXWTHSA-N 0 0 164.212 2.043 10 30 AEEERN CC(C)CC1=CCCC1=O 39395030 343211962 /nfs/dbraw/zinc/21/19/62/343211962.db2.gz AEXVKFSRZVVVDX-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN O/N=C1\CC2CCC1CC2 39432068 343212570 /nfs/dbraw/zinc/21/25/70/343212570.db2.gz CLWGNOUQCWWMPF-CMDGGOBGSA-N 0 0 139.198 2.027 10 30 AEEERN C=CCN1CCc2ccccc21 39437565 343212950 /nfs/dbraw/zinc/21/29/50/343212950.db2.gz APNFARNYDIVXHJ-UHFFFAOYSA-N 0 0 159.232 2.235 10 30 AEEERN O=C(C=C1CCCN1)c1ccccc1 39648619 343213786 /nfs/dbraw/zinc/21/37/86/343213786.db2.gz ZOACWAMVLLJLOA-LUAWRHEFSA-N 0 0 187.242 2.137 10 30 AEEERN C=CCSc1nnc(C)n1CCC 39750703 343214053 /nfs/dbraw/zinc/21/40/53/343214053.db2.gz DRVORQAVASAHPV-UHFFFAOYSA-N 0 0 197.307 2.275 10 30 AEEERN CC[C@@](C)(C#N)NC(=O)OC(C)(C)C 40357902 343217243 /nfs/dbraw/zinc/21/72/43/343217243.db2.gz CGGFKOXBKBHHMJ-JTQLQIEISA-N 0 0 198.266 2.203 10 30 AEEERN Cc1cccc(SC[C@@H]2CO2)c1 40696260 343221343 /nfs/dbraw/zinc/22/13/43/343221343.db2.gz BLANMPKPJSEFOR-VIFPVBQESA-N 0 0 180.272 2.486 10 30 AEEERN Cc1cccc(SC[C@H]2CO2)c1 40696262 343221419 /nfs/dbraw/zinc/22/14/19/343221419.db2.gz BLANMPKPJSEFOR-SECBINFHSA-N 0 0 180.272 2.486 10 30 AEEERN C[C@H]1CCN(c2ccccc2C#N)C1 40724847 343222049 /nfs/dbraw/zinc/22/20/49/343222049.db2.gz CMFKBOIHSUVAQH-JTQLQIEISA-N 0 0 186.258 2.404 10 30 AEEERN Cc1nn([C@H](C)CC#N)c(C)c1C 40730122 343222787 /nfs/dbraw/zinc/22/27/87/343222787.db2.gz AWCNZBUEEKWSGT-SSDOTTSWSA-N 0 0 177.251 2.283 10 30 AEEERN Cc1nn(CCCC#N)c(C)c1C 40729932 343222795 /nfs/dbraw/zinc/22/27/95/343222795.db2.gz VHSAZMAGOXHEDA-UHFFFAOYSA-N 0 0 177.251 2.112 10 30 AEEERN Cc1nn([C@@H](C)CC#N)c(C)c1C 40730119 343222860 /nfs/dbraw/zinc/22/28/60/343222860.db2.gz AWCNZBUEEKWSGT-ZETCQYMHSA-N 0 0 177.251 2.283 10 30 AEEERN C[C@H](c1ccccc1)[C@H](C#N)N(C)C 41046488 343226636 /nfs/dbraw/zinc/22/66/36/343226636.db2.gz UDNSCBXBPACMSV-PWSUYJOCSA-N 0 0 188.274 2.244 10 30 AEEERN CC(C)[C@H](C#N)C(=O)[C@H]1C[C@@H]1C 41045730 343226641 /nfs/dbraw/zinc/22/66/41/343226641.db2.gz HFVCEILFDLMWQD-CIUDSAMLSA-N 0 0 165.236 2.007 10 30 AEEERN C[C@H](c1ccccc1)[C@@H](C#N)N(C)C 41046486 343226643 /nfs/dbraw/zinc/22/66/43/343226643.db2.gz UDNSCBXBPACMSV-ZYHUDNBSSA-N 0 0 188.274 2.244 10 30 AEEERN CC(C)[C@H](C#N)C(=O)c1ccncc1 41045782 343226670 /nfs/dbraw/zinc/22/66/70/343226670.db2.gz ZHKZJVKJKAPPKD-JTQLQIEISA-N 0 0 188.230 2.060 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)C(C)(C)C 41045655 343226680 /nfs/dbraw/zinc/22/66/80/343226680.db2.gz KNFYWQSRXBEHFK-MRVPVSSYSA-N 0 0 167.252 2.397 10 30 AEEERN CC(C)[C@H](C#N)C(=O)[C@H]1C[C@H]1C 41045729 343226707 /nfs/dbraw/zinc/22/67/07/343226707.db2.gz HFVCEILFDLMWQD-VGMNWLOBSA-N 0 0 165.236 2.007 10 30 AEEERN CC(C)[C@H](C#N)C(=O)C1CCC1 41045724 343226749 /nfs/dbraw/zinc/22/67/49/343226749.db2.gz XHWVULKSQPDLMM-VIFPVBQESA-N 0 0 165.236 2.151 10 30 AEEERN CC(C)[C@H](C#N)C(=O)c1ccoc1 41045614 343226765 /nfs/dbraw/zinc/22/67/65/343226765.db2.gz CYEQVRHEISHVPT-VIFPVBQESA-N 0 0 177.203 2.258 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)c1ccncc1 41045781 343226778 /nfs/dbraw/zinc/22/67/78/343226778.db2.gz ZHKZJVKJKAPPKD-SNVBAGLBSA-N 0 0 188.230 2.060 10 30 AEEERN CC(C)[C@H](C#N)C(=O)C(C)(C)C 41045656 343226780 /nfs/dbraw/zinc/22/67/80/343226780.db2.gz KNFYWQSRXBEHFK-QMMMGPOBSA-N 0 0 167.252 2.397 10 30 AEEERN CC(C)[C@H](C#N)C(=O)[C@@H]1C[C@H]1C 41045731 343226808 /nfs/dbraw/zinc/22/68/08/343226808.db2.gz HFVCEILFDLMWQD-HLTSFMKQSA-N 0 0 165.236 2.007 10 30 AEEERN CC(C)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1C 41045732 343226856 /nfs/dbraw/zinc/22/68/56/343226856.db2.gz HFVCEILFDLMWQD-YIZRAAEISA-N 0 0 165.236 2.007 10 30 AEEERN CC(C)[C@H](C#N)NC1CCCCC1 41049508 343227003 /nfs/dbraw/zinc/22/70/03/343227003.db2.gz BABWSHRKILCQNM-NSHDSACASA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)[C@@H](C#N)NC1CCCCC1 41049507 343227021 /nfs/dbraw/zinc/22/70/21/343227021.db2.gz BABWSHRKILCQNM-LLVKDONJSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)[C@H](C#N)N1CCCCCC1 41049616 343227474 /nfs/dbraw/zinc/22/74/74/343227474.db2.gz PIWRWOZPNLCRIV-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C)[C@@H](C#N)N1CCCC1 41050453 343227493 /nfs/dbraw/zinc/22/74/93/343227493.db2.gz QHBXIJQNDXZMHZ-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)[C@@H](C#N)N1CCCCCC1 41049615 343227588 /nfs/dbraw/zinc/22/75/88/343227588.db2.gz PIWRWOZPNLCRIV-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C)[C@H](C#N)N1CCCC1 41050455 343227767 /nfs/dbraw/zinc/22/77/67/343227767.db2.gz QHBXIJQNDXZMHZ-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H]1O[C@H]1c1cccs1 41062105 343230128 /nfs/dbraw/zinc/23/01/28/343230128.db2.gz HOMVQVUALHUONC-IYSWYEEDSA-N 0 0 140.207 2.208 10 30 AEEERN Cc1cc([C@@H]2CO2)ccc1F 41167137 343230672 /nfs/dbraw/zinc/23/06/72/343230672.db2.gz GZCMDBGYIIORFV-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN Cc1cc([C@H]2CO2)ccc1F 41167139 343230716 /nfs/dbraw/zinc/23/07/16/343230716.db2.gz GZCMDBGYIIORFV-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN CN(C)[C@](C)(C#N)Cc1ccccc1 41204264 343232189 /nfs/dbraw/zinc/23/21/89/343232189.db2.gz GBEBDUYALLMMQL-LBPRGKRZSA-N 0 0 188.274 2.073 10 30 AEEERN CN(C)[C@@](C)(C#N)Cc1ccccc1 41204262 343232236 /nfs/dbraw/zinc/23/22/36/343232236.db2.gz GBEBDUYALLMMQL-GFCCVEGCSA-N 0 0 188.274 2.073 10 30 AEEERN C[C@](N)(C#N)Cc1ccc(Cl)cc1 41206916 343232427 /nfs/dbraw/zinc/23/24/27/343232427.db2.gz PSXJMAPSIFIYKG-SNVBAGLBSA-N 0 0 194.665 2.123 10 30 AEEERN Cc1cccc(NC(=O)CCS)c1 41570428 343234949 /nfs/dbraw/zinc/23/49/49/343234949.db2.gz ZBPMTMSHLZPPCP-UHFFFAOYSA-N 0 0 195.287 2.253 10 30 AEEERN C#CCN1c2ccccc2C[C@H]1C 41635654 343235167 /nfs/dbraw/zinc/23/51/67/343235167.db2.gz GAPAHFADGWCJKM-SNVBAGLBSA-N 0 0 171.243 2.071 10 30 AEEERN C#CCN1c2ccccc2C[C@@H]1C 41635656 343235214 /nfs/dbraw/zinc/23/52/14/343235214.db2.gz GAPAHFADGWCJKM-JTQLQIEISA-N 0 0 171.243 2.071 10 30 AEEERN C#Cc1cccc(NC(=O)OCC)c1 41636946 343235506 /nfs/dbraw/zinc/23/55/06/343235506.db2.gz TZKADZMWQGJNJW-UHFFFAOYSA-N 0 0 189.214 2.236 10 30 AEEERN Cc1ccsc1[C@@H](C#N)NC1CC1 41673269 343235670 /nfs/dbraw/zinc/23/56/70/343235670.db2.gz QVBQWHUDHRCOOJ-SECBINFHSA-N 0 0 192.287 2.373 10 30 AEEERN Cc1ccsc1[C@H](C#N)NC1CC1 41673272 343235714 /nfs/dbraw/zinc/23/57/14/343235714.db2.gz QVBQWHUDHRCOOJ-VIFPVBQESA-N 0 0 192.287 2.373 10 30 AEEERN Cc1ccc([C@@H](C#N)NC2CC2)s1 41675150 343235730 /nfs/dbraw/zinc/23/57/30/343235730.db2.gz OTHNAEDSFGUODQ-SECBINFHSA-N 0 0 192.287 2.373 10 30 AEEERN Cc1ccc([C@H](C#N)NC2CC2)s1 41675154 343235884 /nfs/dbraw/zinc/23/58/84/343235884.db2.gz OTHNAEDSFGUODQ-VIFPVBQESA-N 0 0 192.287 2.373 10 30 AEEERN CC1=C2CCC(=O)[C@]2(C)CCC1=O 41701565 343236095 /nfs/dbraw/zinc/23/60/95/343236095.db2.gz NERGSGSEJNCZBN-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN N#CCN(Cc1cccs1)C1CC1 42240459 343238838 /nfs/dbraw/zinc/23/88/38/343238838.db2.gz GLZMUHOUDLBTKU-UHFFFAOYSA-N 0 0 192.287 2.236 10 30 AEEERN CCC(C)(C)O[C@H](C)C#N 43522634 343254234 /nfs/dbraw/zinc/25/42/34/343254234.db2.gz AMNRCIVFNKEJLK-SSDOTTSWSA-N 0 0 141.214 2.104 10 30 AEEERN C/C=C/C(=O)c1cccc(OC)c1 42394494 343241315 /nfs/dbraw/zinc/24/13/15/343241315.db2.gz SQSGFJSYSAHXJE-HWKANZROSA-N 0 0 176.215 2.454 10 30 AEEERN C/C=C/C(=O)c1ccccc1OC 42394487 343241323 /nfs/dbraw/zinc/24/13/23/343241323.db2.gz YEXQAYUOFVNWFD-ZZXKWVIFSA-N 0 0 176.215 2.454 10 30 AEEERN Cc1c(CCC#N)cccc1[N+](=O)[O-] 42406782 343241637 /nfs/dbraw/zinc/24/16/37/343241637.db2.gz ZJZIWRSXKGGRDV-UHFFFAOYSA-N 0 0 190.202 2.359 10 30 AEEERN Cc1cnc(SC[C@@H](C)C#N)nc1 42404468 343241841 /nfs/dbraw/zinc/24/18/41/343241841.db2.gz KBVIHMOYFIKREN-ZETCQYMHSA-N 0 0 193.275 2.037 10 30 AEEERN CCc1nccn1[C@H]1CCC[C@@H]1C#N 42419814 343242203 /nfs/dbraw/zinc/24/22/03/343242203.db2.gz FRIZPUPSIWSSFD-ZJUUUORDSA-N 0 0 189.262 2.310 10 30 AEEERN CCc1nccn1[C@@H]1CCC[C@@H]1C#N 42419813 343242256 /nfs/dbraw/zinc/24/22/56/343242256.db2.gz FRIZPUPSIWSSFD-NXEZZACHSA-N 0 0 189.262 2.310 10 30 AEEERN CCc1nccn1[C@H]1CCC[C@H]1C#N 42419816 343242337 /nfs/dbraw/zinc/24/23/37/343242337.db2.gz FRIZPUPSIWSSFD-UWVGGRQHSA-N 0 0 189.262 2.310 10 30 AEEERN CCCCCC(=O)N(C)C[C@@H](C)C#N 42460236 343243262 /nfs/dbraw/zinc/24/32/62/343243262.db2.gz HWZQJYXMQZJGTM-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN CCCCCC(=O)N(C)C[C@H](C)C#N 42460239 343243316 /nfs/dbraw/zinc/24/33/16/343243316.db2.gz HWZQJYXMQZJGTM-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CCC1CCC(NCC#N)CC1 42580411 343247817 /nfs/dbraw/zinc/24/78/17/343247817.db2.gz IVDOREPRIOSPJC-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN Cc1cc(C#N)c(C)c([N+](=O)[O-])c1 43220572 343250479 /nfs/dbraw/zinc/25/04/79/343250479.db2.gz DIZUEYJVKMJRRO-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 in-vitro AEEERN Cc1c(F)cccc1NCC#N 43321142 343251265 /nfs/dbraw/zinc/25/12/65/343251265.db2.gz VISIEOGDXYKCCM-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN Cc1c(F)cccc1NCCC#N 43321091 343251472 /nfs/dbraw/zinc/25/14/72/343251472.db2.gz XPKZWXOMIPZRFF-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN C[C@@H](C#N)CC(=O)c1ccc(C#N)cc1 43368290 343251658 /nfs/dbraw/zinc/25/16/58/343251658.db2.gz ATADOPMUUYGONO-SECBINFHSA-N 0 0 198.225 2.291 10 30 AEEERN C[C@H](C#N)CC(=O)c1ccc(C#N)cc1 43368289 343251736 /nfs/dbraw/zinc/25/17/36/343251736.db2.gz ATADOPMUUYGONO-VIFPVBQESA-N 0 0 198.225 2.291 10 30 AEEERN Cc1cc(Cl)ncc1CC#N 44370019 343264356 /nfs/dbraw/zinc/26/43/56/343264356.db2.gz DKODLSKRIWMZNF-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1cc(C)cc([C@@H](C#N)N(C)C)c1 43395068 343252072 /nfs/dbraw/zinc/25/20/72/343252072.db2.gz FTABISGDXGIHPM-GFCCVEGCSA-N 0 0 188.274 2.430 10 30 AEEERN C[C@H](C#N)Oc1ccc(Cl)cc1N 43513230 343252734 /nfs/dbraw/zinc/25/27/34/343252734.db2.gz COFQXLHXJIJOHL-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN C=CCc1ccccc1C1OCCO1 43505115 343252758 /nfs/dbraw/zinc/25/27/58/343252758.db2.gz AKXIFXQIIIAORH-UHFFFAOYSA-N 0 0 190.242 2.461 10 30 AEEERN C[C@H](C#N)Nc1cc(F)cc(F)c1 43514516 343253042 /nfs/dbraw/zinc/25/30/42/343253042.db2.gz IQWMSDFCJSJLMN-ZCFIWIBFSA-N 0 0 182.173 2.289 10 30 AEEERN CC1CCC(N[C@H](C)C#N)CC1 43514396 343253044 /nfs/dbraw/zinc/25/30/44/343253044.db2.gz UVDOZXHOUBVRGI-HWOCKDDLSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1ccccc1 43513984 343253067 /nfs/dbraw/zinc/25/30/67/343253067.db2.gz GJCIYUBEISDBDK-ZJUUUORDSA-N 0 0 174.247 2.249 10 30 AEEERN Cc1ccc(N[C@@H](C)C#N)cc1F 43514489 343253071 /nfs/dbraw/zinc/25/30/71/343253071.db2.gz YQQNXSWCANNJTH-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1ccc(F)c(N[C@@H](C)C#N)c1 43514735 343253132 /nfs/dbraw/zinc/25/31/32/343253132.db2.gz NHCRNXDZKOAGJV-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN C[C@H](C#N)Nc1ccc(F)cc1F 43514466 343253139 /nfs/dbraw/zinc/25/31/39/343253139.db2.gz XCBVIJZUKAGSHB-ZCFIWIBFSA-N 0 0 182.173 2.289 10 30 AEEERN CC1CCC(N[C@@H](C)C#N)CC1 43514395 343253168 /nfs/dbraw/zinc/25/31/68/343253168.db2.gz UVDOZXHOUBVRGI-KYHHOPLUSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](C#N)Nc1ccc(F)c(F)c1 43514402 343253258 /nfs/dbraw/zinc/25/32/58/343253258.db2.gz OAAGIVOUPIVBKF-ZCFIWIBFSA-N 0 0 182.173 2.289 10 30 AEEERN Cc1ccc(N[C@H](C)C#N)cc1F 43514490 343253292 /nfs/dbraw/zinc/25/32/92/343253292.db2.gz YQQNXSWCANNJTH-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN C[C@H](C#N)Nc1ccc2c(c1)CCC2 43514326 343253316 /nfs/dbraw/zinc/25/33/16/343253316.db2.gz XDPMSWGWXXWIJV-SECBINFHSA-N 0 0 186.258 2.499 10 30 AEEERN C[C@H](C#N)Nc1cccc(F)c1C#N 43514934 343253481 /nfs/dbraw/zinc/25/34/81/343253481.db2.gz WNYZUXROOASBFF-SSDOTTSWSA-N 0 0 189.193 2.021 10 30 AEEERN C[C@H](C#N)Nc1cccc(F)c1F 43515226 343253527 /nfs/dbraw/zinc/25/35/27/343253527.db2.gz RYAYSBQXKSEHHP-ZCFIWIBFSA-N 0 0 182.173 2.289 10 30 AEEERN Cc1ccc([C@H](C)N[C@H](C)C#N)o1 43515218 343253556 /nfs/dbraw/zinc/25/35/56/343253556.db2.gz OGTAHKUPTRVAGM-APPZFPTMSA-N 0 0 178.235 2.151 10 30 AEEERN C[C@H](C#N)N[C@H](C)c1cccc(F)c1 43515509 343253643 /nfs/dbraw/zinc/25/36/43/343253643.db2.gz CGJRRUPPEYJVJH-RKDXNWHRSA-N 0 0 192.237 2.388 10 30 AEEERN CCC1CCC(N[C@@H](C)C#N)CC1 43515402 343253645 /nfs/dbraw/zinc/25/36/45/343253645.db2.gz BHOPPLFRGHUBCO-WHXUTIOJSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H](C#N)NCC1CCCCC1 43514828 343253659 /nfs/dbraw/zinc/25/36/59/343253659.db2.gz ZXYZJGOBNSYBGE-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H](C#N)Nc1c(F)cccc1F 43514760 343253667 /nfs/dbraw/zinc/25/36/67/343253667.db2.gz HFUBEZVOPJLIAH-ZCFIWIBFSA-N 0 0 182.173 2.289 10 30 AEEERN CCC1CCC(N[C@H](C)C#N)CC1 43515403 343253672 /nfs/dbraw/zinc/25/36/72/343253672.db2.gz BHOPPLFRGHUBCO-KPPDAEKUSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H](C#N)Nc1ccc(N(C)C)cc1 43514948 343253710 /nfs/dbraw/zinc/25/37/10/343253710.db2.gz VNOAUHZNLYTLDU-SECBINFHSA-N 0 0 189.262 2.077 10 30 AEEERN Cc1ccc([C@H](C)N[C@@H](C)C#N)o1 43515216 343253741 /nfs/dbraw/zinc/25/37/41/343253741.db2.gz OGTAHKUPTRVAGM-CBAPKCEASA-N 0 0 178.235 2.151 10 30 AEEERN C[C@H](C#N)Sc1ccccc1N 43516519 343253804 /nfs/dbraw/zinc/25/38/04/343253804.db2.gz TVUMBKFHNLDBDV-SSDOTTSWSA-N 0 0 178.260 2.273 10 30 AEEERN C[C@H](C#N)Sc1ccc(F)cc1N 43516639 343254012 /nfs/dbraw/zinc/25/40/12/343254012.db2.gz CMFIENPRUXBUPL-ZCFIWIBFSA-N 0 0 196.250 2.412 10 30 AEEERN Cc1nc(N)sc1S[C@H](C)C#N 43516539 343254114 /nfs/dbraw/zinc/25/41/14/343254114.db2.gz LFAFVXFNQNIOML-SCSAIBSYSA-N 0 0 199.304 2.038 10 30 AEEERN C[C@H](C#N)Sc1ccc(N)cc1F 43516631 343254130 /nfs/dbraw/zinc/25/41/30/343254130.db2.gz RPVJPXNUTVHDRO-ZCFIWIBFSA-N 0 0 196.250 2.412 10 30 AEEERN Cc1nc(N)sc1S[C@@H](C)C#N 43516538 343254143 /nfs/dbraw/zinc/25/41/43/343254143.db2.gz LFAFVXFNQNIOML-BYPYZUCNSA-N 0 0 199.304 2.038 10 30 AEEERN CCc1c(C)nn([C@H](C)C#N)c1C 43522485 343254213 /nfs/dbraw/zinc/25/42/13/343254213.db2.gz SVZKCAUBNQGWBE-SSDOTTSWSA-N 0 0 177.251 2.147 10 30 AEEERN CCCCCO[C@@H](C)C#N 43522707 343254228 /nfs/dbraw/zinc/25/42/28/343254228.db2.gz PMZASBCPCMASBL-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CCC1CCN([C@H](C)C#N)CC1 43522088 343254300 /nfs/dbraw/zinc/25/43/00/343254300.db2.gz HKPSLKVRZUTSHR-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)S[C@H](C)C#N 43522811 343254318 /nfs/dbraw/zinc/25/43/18/343254318.db2.gz BOQWBRYEXOOFQF-ZCFIWIBFSA-N 0 0 129.228 2.040 10 30 AEEERN CC(C)S[C@@H](C)C#N 43522809 343254325 /nfs/dbraw/zinc/25/43/25/343254325.db2.gz BOQWBRYEXOOFQF-LURJTMIESA-N 0 0 129.228 2.040 10 30 AEEERN CCc1c(C)nn([C@@H](C)C#N)c1C 43522482 343254362 /nfs/dbraw/zinc/25/43/62/343254362.db2.gz SVZKCAUBNQGWBE-ZETCQYMHSA-N 0 0 177.251 2.147 10 30 AEEERN CC[C@H]1CCCN([C@@H](C)C#N)C1 43521985 343254374 /nfs/dbraw/zinc/25/43/74/343254374.db2.gz DCFSCYNXOOWPLZ-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H](C#N)N(C)[C@H]1CCCC[C@H]1C 43522358 343254389 /nfs/dbraw/zinc/25/43/89/343254389.db2.gz WUNMITISZFYTNM-VWYCJHECSA-N 0 0 180.295 2.409 10 30 AEEERN CCCCCO[C@H](C)C#N 43522710 343254420 /nfs/dbraw/zinc/25/44/20/343254420.db2.gz PMZASBCPCMASBL-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN CCC(C)(C)O[C@@H](C)C#N 43522632 343254430 /nfs/dbraw/zinc/25/44/30/343254430.db2.gz AMNRCIVFNKEJLK-ZETCQYMHSA-N 0 0 141.214 2.104 10 30 AEEERN C[C@@H](C#N)N(C)[C@@H]1CCCC[C@H]1C 43522363 343254453 /nfs/dbraw/zinc/25/44/53/343254453.db2.gz WUNMITISZFYTNM-OUAUKWLOSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H](C#N)OCc1cccs1 43522750 343254471 /nfs/dbraw/zinc/25/44/71/343254471.db2.gz HWFXQHHPKQVTCT-ZETCQYMHSA-N 0 0 167.233 2.177 10 30 AEEERN CC[C@@H]1CCCN([C@@H](C)C#N)C1 43521984 343254558 /nfs/dbraw/zinc/25/45/58/343254558.db2.gz DCFSCYNXOOWPLZ-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H](C#N)Nc1ccccc1C#N 43539265 343254623 /nfs/dbraw/zinc/25/46/23/343254623.db2.gz FIZBMQPSLYNSBD-SNVBAGLBSA-N 0 0 185.230 2.272 10 30 AEEERN CC[C@H](C#N)NC1(C)CCCC1 43540894 343254627 /nfs/dbraw/zinc/25/46/27/343254627.db2.gz NIKLKTMOLGUXOW-SECBINFHSA-N 0 0 166.268 2.211 10 30 AEEERN CC[C@H](C#N)Oc1ccc(N)c(F)c1 43538547 343254714 /nfs/dbraw/zinc/25/47/14/343254714.db2.gz DZNJQYOSKMVARQ-SSDOTTSWSA-N 0 0 194.209 2.089 10 30 AEEERN CC[C@H](C#N)Nc1ccc(C#N)cc1 43539289 343254770 /nfs/dbraw/zinc/25/47/70/343254770.db2.gz UCJGZWXJLARIHQ-SNVBAGLBSA-N 0 0 185.230 2.272 10 30 AEEERN CC[C@H](C#N)Oc1ccc(N)c(C)c1 43538507 343254784 /nfs/dbraw/zinc/25/47/84/343254784.db2.gz KQCMNZPHXRSFLG-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@H](C#N)Oc1cccc(N)c1C 43538529 343254813 /nfs/dbraw/zinc/25/48/13/343254813.db2.gz CTLXTQKPAVHXHR-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@H](C#N)Oc1ccc(C)cc1N 43538539 343254816 /nfs/dbraw/zinc/25/48/16/343254816.db2.gz BLTDZLZITQEEAO-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@H](C#N)Oc1ccc(N)cc1F 43538523 343254936 /nfs/dbraw/zinc/25/49/36/343254936.db2.gz QHHMWDCPCWFCPV-MRVPVSSYSA-N 0 0 194.209 2.089 10 30 AEEERN CCC1CCN([C@H](C#N)CC)CC1 43556510 343255116 /nfs/dbraw/zinc/25/51/16/343255116.db2.gz QOCRKUVIQNYSOM-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)Oc1ccccc1O 43543321 343255165 /nfs/dbraw/zinc/25/51/65/343255165.db2.gz POIOPXNTMBZRJQ-MRVPVSSYSA-N 0 0 177.203 2.073 10 30 AEEERN CC[C@H](C#N)Sc1ccc(N)nc1 43542945 343255176 /nfs/dbraw/zinc/25/51/76/343255176.db2.gz LEIBLPKUNGJCRV-SSDOTTSWSA-N 0 0 193.275 2.058 10 30 AEEERN CCC1CCN([C@@H](C#N)CC)CC1 43556512 343255221 /nfs/dbraw/zinc/25/52/21/343255221.db2.gz QOCRKUVIQNYSOM-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)Oc1cccc(O)c1 43543323 343255234 /nfs/dbraw/zinc/25/52/34/343255234.db2.gz ODGDWWJDLNZWOC-SECBINFHSA-N 0 0 177.203 2.073 10 30 AEEERN CC[C@H](C#N)N1CCC(C)CC1 43555997 343255275 /nfs/dbraw/zinc/25/52/75/343255275.db2.gz LYDBBXOGUUVYQL-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@H](C)C1 43556012 343255291 /nfs/dbraw/zinc/25/52/91/343255291.db2.gz SUMACCBGXWAKNY-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H](C#N)N1CCC[C@H](C)C1 43556014 343255323 /nfs/dbraw/zinc/25/53/23/343255323.db2.gz SUMACCBGXWAKNY-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H](C#N)Oc1ccc(O)cc1 43543319 343255336 /nfs/dbraw/zinc/25/53/36/343255336.db2.gz XTZMOVQWOGNMDK-SECBINFHSA-N 0 0 177.203 2.073 10 30 AEEERN CCCCO[C@@H](C#N)CC 43557315 343255456 /nfs/dbraw/zinc/25/54/56/343255456.db2.gz ZCEXYJCGWFIMLN-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN CC[C@@H](C#N)n1nc(C)c(C)c1C 43556899 343255712 /nfs/dbraw/zinc/25/57/12/343255712.db2.gz CDMMDXZSBIHVGM-JTQLQIEISA-N 0 0 177.251 2.283 10 30 AEEERN CCCCO[C@H](C#N)CC 43557313 343255732 /nfs/dbraw/zinc/25/57/32/343255732.db2.gz ZCEXYJCGWFIMLN-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN C#CC[C@@H]1Cc2ccccc2C1=O 43647226 343258126 /nfs/dbraw/zinc/25/81/26/343258126.db2.gz TWLHZORJXRTCJV-SNVBAGLBSA-N 0 0 170.211 2.065 10 30 AEEERN C#CC[C@H]1Cc2ccccc2C1=O 43647228 343258177 /nfs/dbraw/zinc/25/81/77/343258177.db2.gz TWLHZORJXRTCJV-JTQLQIEISA-N 0 0 170.211 2.065 10 30 AEEERN C#CC[C@H]1CCc2ccccc2C1=O 43648487 343258185 /nfs/dbraw/zinc/25/81/85/343258185.db2.gz SAZWQJWBBCVELJ-NSHDSACASA-N 0 0 184.238 2.455 10 30 AEEERN C#CC[C@@H]1CCc2ccccc2C1=O 43648486 343258197 /nfs/dbraw/zinc/25/81/97/343258197.db2.gz SAZWQJWBBCVELJ-LLVKDONJSA-N 0 0 184.238 2.455 10 30 AEEERN C#CC[C@@H]1C[C@H](C)CCC1=O 43651935 343258416 /nfs/dbraw/zinc/25/84/16/343258416.db2.gz KHDDNUXHJINYMF-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC[C@H]1C[C@H](C)CCC1=O 43651939 343258423 /nfs/dbraw/zinc/25/84/23/343258423.db2.gz KHDDNUXHJINYMF-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN C=CC[C@@H]1C[C@@H](C)CC[C@@H]1O 43660020 343258434 /nfs/dbraw/zinc/25/84/34/343258434.db2.gz SNPIKFDLQFWBRM-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C#CC[C@H]1C[C@@H](C)CCC1=O 43651941 343258504 /nfs/dbraw/zinc/25/85/04/343258504.db2.gz KHDDNUXHJINYMF-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN C=CC[C@@H]1C[C@H](C)CC[C@H]1O 43660022 343258513 /nfs/dbraw/zinc/25/85/13/343258513.db2.gz SNPIKFDLQFWBRM-OPRDCNLKSA-N 0 0 154.253 2.360 10 30 AEEERN C#CC[C@@H]1C[C@@H](C)CCC1=O 43651937 343258580 /nfs/dbraw/zinc/25/85/80/343258580.db2.gz KHDDNUXHJINYMF-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN C=C(C)C(=O)OCC1CCCC1 44069028 343259676 /nfs/dbraw/zinc/25/96/76/343259676.db2.gz FKKIRRSLQCZLSY-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN COc1cc(O)ccc1/C=C/C(C)=O 44171248 343261363 /nfs/dbraw/zinc/26/13/63/343261363.db2.gz HNHBKLLARMBGRI-ONEGZZNKSA-N 0 0 192.214 2.003 10 30 AEEERN Cc1c(C#N)cc(F)c2cc[nH]c12 44184950 343261833 /nfs/dbraw/zinc/26/18/33/343261833.db2.gz YNDWBMWMFNARDP-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 in-vitro AEEERN COc1cc(C#N)c(C)c2[nH]ccc12 44185441 343262121 /nfs/dbraw/zinc/26/21/21/343262121.db2.gz GHAXLEIIZJXIAP-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 in-vitro AEEERN N#Cc1cc(F)c(F)c2cc[nH]c12 44185313 343262151 /nfs/dbraw/zinc/26/21/51/343262151.db2.gz FVKXSDGBBRTHLC-UHFFFAOYSA-N 0 0 178.141 2.318 10 30 AEEERN Cc1c(C#N)ccc([N+](=O)[O-])c1C 44185472 343262226 /nfs/dbraw/zinc/26/22/26/343262226.db2.gz UCGNNMMSNHKPDW-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 in-vitro AEEERN CN(CC#N)CCCc1ccccc1 44348554 343263521 /nfs/dbraw/zinc/26/35/21/343263521.db2.gz CSKIVKHMWJBLAM-UHFFFAOYSA-N 0 0 188.274 2.075 10 30 AEEERN Cc1cc(Cl)cnc1CC#N 44369583 343264105 /nfs/dbraw/zinc/26/41/05/343264105.db2.gz NPOIFANVHWELEV-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1c(CC#N)ccc(F)c1F 44369944 343264126 /nfs/dbraw/zinc/26/41/26/343264126.db2.gz APVWYBIKAMBEOP-UHFFFAOYSA-N 0 0 167.158 2.339 10 30 AEEERN N#CCc1cc(Cl)cc(C#N)c1 44369832 343264234 /nfs/dbraw/zinc/26/42/34/343264234.db2.gz MNVKJQOJXBLAFD-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN Cc1c(F)ccc(CC#N)c1F 44369613 343264333 /nfs/dbraw/zinc/26/43/33/343264333.db2.gz OMNOWJOINYDBCR-UHFFFAOYSA-N 0 0 167.158 2.339 10 30 AEEERN CC[C@@H](NC(=O)C(C)(C)C#N)C(C)C 44386140 343264562 /nfs/dbraw/zinc/26/45/62/343264562.db2.gz ISLSYJYMFVRKDY-SECBINFHSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@H](C#N)N(C)CC1CCCCC1 44427543 343265536 /nfs/dbraw/zinc/26/55/36/343265536.db2.gz QTJMSIOPKZGYCN-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN N#Cc1nccc2c(Cl)c[nH]c12 44713194 343268631 /nfs/dbraw/zinc/26/86/31/343268631.db2.gz AMSWPHKMJXAXQN-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 in-vitro AEEERN N#Cc1cnc2c(Cl)c[nH]c2c1 44713387 343268845 /nfs/dbraw/zinc/26/88/45/343268845.db2.gz RYGBCKGRHSFTQH-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN Cc1ccc(C#N)c2[nH]cc(C=O)c12 44713468 343268940 /nfs/dbraw/zinc/26/89/40/343268940.db2.gz DRNGSPNUOGIJCM-UHFFFAOYSA-N 0 0 184.198 2.161 10 30 in-vitro AEEERN N#Cc1cncc2[nH]cc(Cl)c12 44713407 343269009 /nfs/dbraw/zinc/26/90/09/343269009.db2.gz LDHQPLCUXNNLLC-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN CC[C@H](C#N)C(=O)N[C@H](CC)C(C)C 44825095 343270068 /nfs/dbraw/zinc/27/00/68/343270068.db2.gz GVSMVOHGYLINDP-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN Cc1c[nH]nc1-c1ccc(C#N)cc1 44909978 343270139 /nfs/dbraw/zinc/27/01/39/343270139.db2.gz BVSMDZDWBJXVGT-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN Cc1c(N)cc(C#N)c2scnc12 45236380 343271793 /nfs/dbraw/zinc/27/17/93/343271793.db2.gz WFLYKQMWRBWBDI-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN C[C@H](C#N)Sc1ccc(O)cc1 48231413 343274284 /nfs/dbraw/zinc/27/42/84/343274284.db2.gz AZRNRURSXTYIFP-SSDOTTSWSA-N 0 0 179.244 2.396 10 30 AEEERN CC(C)(C)N(O)C=Nc1ccccc1 48524295 343274465 /nfs/dbraw/zinc/27/44/65/343274465.db2.gz DPZAVKKNHSEANH-LCYFTJDESA-N 0 0 192.262 2.436 10 30 AEEERN CN(CCCCC#N)CC(F)(F)F 49579413 343276011 /nfs/dbraw/zinc/27/60/11/343276011.db2.gz DLRCARPMUNWMDM-UHFFFAOYSA-N 0 0 194.200 2.174 10 30 AEEERN Cc1ccc([C@@H](C)NCC#N)cc1 49556808 343276153 /nfs/dbraw/zinc/27/61/53/343276153.db2.gz IDCOHMDIHRYDKM-SNVBAGLBSA-N 0 0 174.247 2.169 10 30 AEEERN C[C@H](CC#N)C(=O)Nc1ccccc1 49806253 343276995 /nfs/dbraw/zinc/27/69/95/343276995.db2.gz HTXUFFRSHQURIP-SECBINFHSA-N 0 0 188.230 2.175 10 30 AEEERN C[C@H](C#N)Sc1ccccc1O 50047093 343277834 /nfs/dbraw/zinc/27/78/34/343277834.db2.gz DWTSCEAOMHSMDO-SSDOTTSWSA-N 0 0 179.244 2.396 10 30 AEEERN Cc1cc2ccccc2n1CC=O 50129640 343278648 /nfs/dbraw/zinc/27/86/48/343278648.db2.gz VBCBRXVHTTYCSH-UHFFFAOYSA-N 0 0 173.215 2.149 10 30 AEEERN CCc1cccc2ccn(CC=O)c12 50129484 343278920 /nfs/dbraw/zinc/27/89/20/343278920.db2.gz SPNPBIRDTGCVEZ-UHFFFAOYSA-N 0 0 187.242 2.403 10 30 AEEERN Cc1cccc2c1ccn2CC=O 50130139 343278947 /nfs/dbraw/zinc/27/89/47/343278947.db2.gz JALFGTILZSNRMG-UHFFFAOYSA-N 0 0 173.215 2.149 10 30 AEEERN Cc1cc(Cl)ccc1OCC=O 50160744 343279019 /nfs/dbraw/zinc/27/90/19/343279019.db2.gz RGCKHTVGPKSLGR-UHFFFAOYSA-N 0 0 184.622 2.226 10 30 AEEERN Cc1ccc(CN[C@H](C)C#N)s1 50225490 343279724 /nfs/dbraw/zinc/27/97/24/343279724.db2.gz UHBFYKYYLRFHPW-SSDOTTSWSA-N 0 0 180.276 2.058 10 30 AEEERN N#C[C@@H](C1CCCC1)N1CCCC1 50272957 343281049 /nfs/dbraw/zinc/28/10/49/343281049.db2.gz RXUAHLJPFZJDDZ-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN N#C[C@H](C1CCCC1)N1CCCC1 50272956 343281069 /nfs/dbraw/zinc/28/10/69/343281069.db2.gz RXUAHLJPFZJDDZ-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN O=C(C1=CCCC1)c1cccnc1 50325055 343281436 /nfs/dbraw/zinc/28/14/36/343281436.db2.gz BRGUAGWHCHZDDK-UHFFFAOYSA-N 0 0 173.215 2.375 10 30 AEEERN C[C@H]1C[C@@H]1C(=O)C1=CCCC1 50325102 343281491 /nfs/dbraw/zinc/28/14/91/343281491.db2.gz SEVFSYBWACXFII-CBAPKCEASA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H](C#N)Oc1ccc(N)c(Cl)c1 50471254 343283326 /nfs/dbraw/zinc/28/33/26/343283326.db2.gz QPWJYZNCHZWSBF-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN Cc1ccc(C#N)c(OC2CCC2)n1 50520436 343283610 /nfs/dbraw/zinc/28/36/10/343283610.db2.gz XSXPATYALBKDIH-UHFFFAOYSA-N 0 0 188.230 2.193 10 30 AEEERN C#CCNc1ccc(OC)c(C)c1 50522183 343283775 /nfs/dbraw/zinc/28/37/75/343283775.db2.gz UKWCJGPDQQFJCC-UHFFFAOYSA-N 0 0 175.231 2.049 10 30 AEEERN C#CCNc1cccc(F)c1F 50522016 343284013 /nfs/dbraw/zinc/28/40/13/343284013.db2.gz CXEGCPSVHSAPNC-UHFFFAOYSA-N 0 0 167.158 2.010 10 30 AEEERN C[C@H](C#N)Cn1ncc2ccccc21 50525778 343284082 /nfs/dbraw/zinc/28/40/82/343284082.db2.gz QYFHLABTAATBJD-SECBINFHSA-N 0 0 185.230 2.196 10 30 AEEERN Cc1cc([C@H](C#N)N(C)C)ccc1F 50559517 343284443 /nfs/dbraw/zinc/28/44/43/343284443.db2.gz HWTVVSBIVJBMIX-NSHDSACASA-N 0 0 192.237 2.260 10 30 AEEERN Cc1cc([C@@H](C#N)N(C)C)ccc1F 50559515 343284449 /nfs/dbraw/zinc/28/44/49/343284449.db2.gz HWTVVSBIVJBMIX-LLVKDONJSA-N 0 0 192.237 2.260 10 30 AEEERN Cc1nn(CCCC#N)c(C)c1Cl 50586602 343285256 /nfs/dbraw/zinc/28/52/56/343285256.db2.gz RQPWAJHLRLDUDG-UHFFFAOYSA-N 0 0 197.669 2.457 10 30 AEEERN Cc1cc(C)c2c(N)c(C#N)cnc2c1 50842565 343286108 /nfs/dbraw/zinc/28/61/08/343286108.db2.gz NKDYNSRQDYWEKM-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN Cc1cc(C)c2ncc(C#N)c(N)c2c1 50842223 343286311 /nfs/dbraw/zinc/28/63/11/343286311.db2.gz OSZDDZTWGNNSTO-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN Cc1ccc2c(N)c(C#N)cnc2c1C 50842660 343286488 /nfs/dbraw/zinc/28/64/88/343286488.db2.gz CXYOJTDYGNKVOU-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN CC[C@H](C#N)N1Cc2ccccc2C1 50911302 343286623 /nfs/dbraw/zinc/28/66/23/343286623.db2.gz FWWQZWMHZUBLIK-GFCCVEGCSA-N 0 0 186.258 2.304 10 30 AEEERN CC[C@@H](C#N)N1Cc2ccccc2C1 50911301 343286687 /nfs/dbraw/zinc/28/66/87/343286687.db2.gz FWWQZWMHZUBLIK-LBPRGKRZSA-N 0 0 186.258 2.304 10 30 AEEERN CCCC1CCN(CC#N)CC1 50893743 343286828 /nfs/dbraw/zinc/28/68/28/343286828.db2.gz FNXOYLUQZMCXKT-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN C[C@H](CC#N)N1Cc2ccccc2C1 50911299 343286839 /nfs/dbraw/zinc/28/68/39/343286839.db2.gz ZDUAXVLYMCMYNH-SNVBAGLBSA-N 0 0 186.258 2.304 10 30 AEEERN C#CCC(=O)c1ccc(F)cc1 51074303 343288117 /nfs/dbraw/zinc/28/81/17/343288117.db2.gz LGXGTJIYVZHCIZ-UHFFFAOYSA-N 0 0 162.163 2.032 10 30 AEEERN C#CC[C@@H](O)Cc1ccccc1Cl 51074481 343288583 /nfs/dbraw/zinc/28/85/83/343288583.db2.gz BJDDWCSOVYZZLO-SNVBAGLBSA-N 0 0 194.661 2.267 10 30 AEEERN C#CC[C@H](O)c1ccc(CC)cc1 51074404 343288605 /nfs/dbraw/zinc/28/86/05/343288605.db2.gz UCXLZIUHIKENGB-LBPRGKRZSA-N 0 0 174.243 2.306 10 30 AEEERN C#CC[C@@H](O)c1ccccc1C 51074426 343288610 /nfs/dbraw/zinc/28/86/10/343288610.db2.gz JWCHGIASUCHAGZ-LLVKDONJSA-N 0 0 160.216 2.052 10 30 AEEERN C#CCC(=O)[C@@H]1CCC[C@@H](C)C1 51074367 343288612 /nfs/dbraw/zinc/28/86/12/343288612.db2.gz VZGKENPVYVDFGT-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)c1cccc(C)c1 51074332 343288616 /nfs/dbraw/zinc/28/86/16/343288616.db2.gz IVXIHGRLEKOSKB-UHFFFAOYSA-N 0 0 158.200 2.201 10 30 AEEERN C#CC[C@@H](O)Cc1cccc(Cl)c1 51074396 343288617 /nfs/dbraw/zinc/28/86/17/343288617.db2.gz PGRQOUOEJVDEFM-LLVKDONJSA-N 0 0 194.661 2.267 10 30 AEEERN C#CCC(=O)c1ccccc1C 51074331 343288648 /nfs/dbraw/zinc/28/86/48/343288648.db2.gz NOUXDHPETAVAMN-UHFFFAOYSA-N 0 0 158.200 2.201 10 30 AEEERN C#CCC(=O)c1ccc(C)cc1 51074309 343288675 /nfs/dbraw/zinc/28/86/75/343288675.db2.gz IWTNMVCNJIOACV-UHFFFAOYSA-N 0 0 158.200 2.201 10 30 AEEERN C#CC[C@H](O)Cc1cccc(Cl)c1 51074395 343288678 /nfs/dbraw/zinc/28/86/78/343288678.db2.gz PGRQOUOEJVDEFM-NSHDSACASA-N 0 0 194.661 2.267 10 30 AEEERN C#CC[C@H](O)c1ccc(F)c(F)c1 51074401 343288685 /nfs/dbraw/zinc/28/86/85/343288685.db2.gz IHVJMCRASFVBPG-JTQLQIEISA-N 0 0 182.169 2.022 10 30 AEEERN C#CCC(=O)[C@H]1CCC[C@H](C)C1 51074366 343288690 /nfs/dbraw/zinc/28/86/90/343288690.db2.gz VZGKENPVYVDFGT-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)Cc1cc(F)cc(F)c1 51074352 343288691 /nfs/dbraw/zinc/28/86/91/343288691.db2.gz PYHRQKYUTWYKEV-UHFFFAOYSA-N 0 0 194.180 2.100 10 30 AEEERN C#CC[C@H](O)c1ccccc1C 51074427 343288694 /nfs/dbraw/zinc/28/86/94/343288694.db2.gz JWCHGIASUCHAGZ-NSHDSACASA-N 0 0 160.216 2.052 10 30 AEEERN CC[C@@H](C#N)Sc1nccc(C)n1 51331626 343289348 /nfs/dbraw/zinc/28/93/48/343289348.db2.gz ULBSEPZUDMOEEN-QMMMGPOBSA-N 0 0 193.275 2.179 10 30 AEEERN Cc1ccnc(SC[C@@H](C)C#N)n1 51331577 343289446 /nfs/dbraw/zinc/28/94/46/343289446.db2.gz JEVJTYCMKYWXBR-ZETCQYMHSA-N 0 0 193.275 2.037 10 30 AEEERN CC[C@H](C#N)Sc1nccc(C)n1 51331627 343289582 /nfs/dbraw/zinc/28/95/82/343289582.db2.gz ULBSEPZUDMOEEN-MRVPVSSYSA-N 0 0 193.275 2.179 10 30 AEEERN Cc1ccnc(S[C@@H](C)CC#N)n1 51331622 343289722 /nfs/dbraw/zinc/28/97/22/343289722.db2.gz QDVNNKGEJBUQBT-QMMMGPOBSA-N 0 0 193.275 2.179 10 30 AEEERN Cc1ccnc(S[C@H](C)CC#N)n1 51331623 343289733 /nfs/dbraw/zinc/28/97/33/343289733.db2.gz QDVNNKGEJBUQBT-MRVPVSSYSA-N 0 0 193.275 2.179 10 30 AEEERN Cc1ccnc(SC[C@H](C)C#N)n1 51331578 343289781 /nfs/dbraw/zinc/28/97/81/343289781.db2.gz JEVJTYCMKYWXBR-SSDOTTSWSA-N 0 0 193.275 2.037 10 30 AEEERN CC#CCNc1cccc(C)c1 51662783 343290384 /nfs/dbraw/zinc/29/03/84/343290384.db2.gz AHQCVLVEXCOZCF-UHFFFAOYSA-N 0 0 159.232 2.430 10 30 AEEERN CC[C@@H](NCC#N)c1ccccc1 51628120 343290427 /nfs/dbraw/zinc/29/04/27/343290427.db2.gz BLQFNUBSZQTJEP-LLVKDONJSA-N 0 0 174.247 2.251 10 30 AEEERN C[C@H](C#N)Oc1cc(Cl)ccc1N 51609453 343290445 /nfs/dbraw/zinc/29/04/45/343290445.db2.gz WNMFMRDISXZXPH-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN CC#CCNc1ccc(OC)c(C)c1 51663579 343290779 /nfs/dbraw/zinc/29/07/79/343290779.db2.gz NBPWNBPPBRLAQN-UHFFFAOYSA-N 0 0 189.258 2.439 10 30 AEEERN CC#CC[C@@H](O)c1ccc(OC)cc1 51664647 343290917 /nfs/dbraw/zinc/29/09/17/343290917.db2.gz QZFRVUOFXFABFH-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@@H](O)Cc1cccc(F)c1 51664814 343290923 /nfs/dbraw/zinc/29/09/23/343290923.db2.gz HGKUVNYJKLMNDM-GFCCVEGCSA-N 0 0 192.233 2.143 10 30 AEEERN CC#CC[C@@H]1CCCCC[C@@H]1O 51666211 343290972 /nfs/dbraw/zinc/29/09/72/343290972.db2.gz XDUCXSBJFBHVGP-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCOc1ccc(NC)cc1 51666157 343290986 /nfs/dbraw/zinc/29/09/86/343290986.db2.gz JIWBZYRJFYBKBL-UHFFFAOYSA-N 0 0 175.231 2.130 10 30 AEEERN CC#CC[C@@H](O)c1cc(F)cc(F)c1 51664853 343290992 /nfs/dbraw/zinc/29/09/92/343290992.db2.gz DNPISSXVXXMNCH-LLVKDONJSA-N 0 0 196.196 2.412 10 30 AEEERN CC#CC[C@@H](O)c1cccc(OC)c1 51664659 343291018 /nfs/dbraw/zinc/29/10/18/343291018.db2.gz YRCVQOIXNJNPCT-GFCCVEGCSA-N 0 0 190.242 2.142 10 30 AEEERN CC#CC[C@@H](O)c1ccccc1C 51664770 343291028 /nfs/dbraw/zinc/29/10/28/343291028.db2.gz UJSTYGVOVKEUSS-GFCCVEGCSA-N 0 0 174.243 2.442 10 30 AEEERN CC#CC[C@@H]1Cc2ccccc2[C@@H]1O 51666218 343291103 /nfs/dbraw/zinc/29/11/03/343291103.db2.gz FGIBEBUMFPDFCP-DGCLKSJQSA-N 0 0 186.254 2.306 10 30 AEEERN CC#CCC(=O)Cc1cccc(F)c1 51664598 343291166 /nfs/dbraw/zinc/29/11/66/343291166.db2.gz RMMKVHHHALAXJG-UHFFFAOYSA-N 0 0 190.217 2.351 10 30 AEEERN CC#CCC(=O)c1ccsc1 51664542 343291172 /nfs/dbraw/zinc/29/11/72/343291172.db2.gz MZVQHMDFJPOMGQ-UHFFFAOYSA-N 0 0 164.229 2.344 10 30 AEEERN CC#CCC(=O)c1ccccc1 51664561 343291209 /nfs/dbraw/zinc/29/12/09/343291209.db2.gz DESDSAWNWOBHBV-UHFFFAOYSA-N 0 0 158.200 2.283 10 30 AEEERN CCc1ccc([C@@H](C#N)N(C)C)s1 51720864 343292210 /nfs/dbraw/zinc/29/22/10/343292210.db2.gz AZVHAVQRMZUBGA-SECBINFHSA-N 0 0 194.303 2.437 10 30 AEEERN CCc1ccc([C@H](C#N)N(C)C)s1 51720866 343292337 /nfs/dbraw/zinc/29/23/37/343292337.db2.gz AZVHAVQRMZUBGA-VIFPVBQESA-N 0 0 194.303 2.437 10 30 AEEERN CC[C@H](C#N)N1CC[C@H](C)C[C@@H]1C 51731943 343292594 /nfs/dbraw/zinc/29/25/94/343292594.db2.gz KPXHMIGHQZHEPN-GARJFASQSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H](C)C[C@H]1C 51731945 343292866 /nfs/dbraw/zinc/29/28/66/343292866.db2.gz DSWAZUJSULBLJJ-BBBLOLIVSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@H](O)CCC#Cc1ccccc1 51814817 343293861 /nfs/dbraw/zinc/29/38/61/343293861.db2.gz DBRFWONAXCPHHP-NSHDSACASA-N 0 0 174.243 2.199 10 30 AEEERN CC[C@H](CC#N)n1cnc(C)c1C 51926960 343295981 /nfs/dbraw/zinc/29/59/81/343295981.db2.gz SRZCNBRPYUCHJT-SNVBAGLBSA-N 0 0 177.251 2.365 10 30 AEEERN CC[C@@H](CC#N)n1cnc(C)c1C 51926959 343296134 /nfs/dbraw/zinc/29/61/34/343296134.db2.gz SRZCNBRPYUCHJT-JTQLQIEISA-N 0 0 177.251 2.365 10 30 AEEERN Cc1ccsc1CC#N 51952497 343296458 /nfs/dbraw/zinc/29/64/58/343296458.db2.gz MISNDAMPLNYJCW-UHFFFAOYSA-N 0 0 137.207 2.123 10 30 AEEERN C#CCNC1(C#N)CCC(CC)CC1 51962960 343297090 /nfs/dbraw/zinc/29/70/90/343297090.db2.gz YQFMQSRDONRHRU-UHFFFAOYSA-N 0 0 190.290 2.072 10 30 AEEERN C#CCN[C@@](C)(C#N)C1CCCCC1 51963118 343297109 /nfs/dbraw/zinc/29/71/09/343297109.db2.gz PZQWUJPJJACJBW-LBPRGKRZSA-N 0 0 190.290 2.072 10 30 AEEERN C#CCNC1(C#N)CCCCCCC1 51962948 343297134 /nfs/dbraw/zinc/29/71/34/343297134.db2.gz LOUOWUBFLSLKBY-UHFFFAOYSA-N 0 0 190.290 2.216 10 30 AEEERN C#CCN[C@](C)(C#N)C1CCCCC1 51963116 343297268 /nfs/dbraw/zinc/29/72/68/343297268.db2.gz PZQWUJPJJACJBW-GFCCVEGCSA-N 0 0 190.290 2.072 10 30 AEEERN CC[C@H](C#N)Oc1ccc(F)cc1N 52065097 343299688 /nfs/dbraw/zinc/29/96/88/343299688.db2.gz VNKCHRJEKWKHDH-MRVPVSSYSA-N 0 0 194.209 2.089 10 30 AEEERN C=C[C@@H](C)[C@H](C)C(C)=O 52143342 343301321 /nfs/dbraw/zinc/30/13/21/343301321.db2.gz HXVTYHADXTWQFJ-RQJHMYQMSA-N 0 0 126.199 2.034 10 30 AEEERN C#CCC(=O)c1cc(F)ccc1C 52138468 343301325 /nfs/dbraw/zinc/30/13/25/343301325.db2.gz JWJDLBYELFVRCI-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C=C[C@@H](C)[C@@H]1CCCC1=O 52143357 343301326 /nfs/dbraw/zinc/30/13/26/343301326.db2.gz SKVMIZMEKHIOQY-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@H](C)[C@H]1CCCC1=O 52143362 343301389 /nfs/dbraw/zinc/30/13/89/343301389.db2.gz SKVMIZMEKHIOQY-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C#CC[C@@H](O)c1cc(F)ccc1C 52138703 343301396 /nfs/dbraw/zinc/30/13/96/343301396.db2.gz IOBKKXBVTASXEL-LLVKDONJSA-N 0 0 178.206 2.191 10 30 AEEERN C#CC[C@H](O)c1cc(F)ccc1C 52138705 343301412 /nfs/dbraw/zinc/30/14/12/343301412.db2.gz IOBKKXBVTASXEL-NSHDSACASA-N 0 0 178.206 2.191 10 30 AEEERN C=C[C@H](C)Oc1cccc(O)c1 52143163 343301420 /nfs/dbraw/zinc/30/14/20/343301420.db2.gz BZSMPKQUDUWQIP-QMMMGPOBSA-N 0 0 164.204 2.346 10 30 AEEERN C=C[C@H](C)[C@@H]1CCCC1=O 52143354 343301483 /nfs/dbraw/zinc/30/14/83/343301483.db2.gz SKVMIZMEKHIOQY-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H](C)Oc1ccc(O)cc1 52143153 343301494 /nfs/dbraw/zinc/30/14/94/343301494.db2.gz IQNQYBDKYYCMMQ-QMMMGPOBSA-N 0 0 164.204 2.346 10 30 AEEERN C=C[C@@H](C)Oc1ccccc1O 52143160 343301502 /nfs/dbraw/zinc/30/15/02/343301502.db2.gz WEKWWNWHHOLWKA-MRVPVSSYSA-N 0 0 164.204 2.346 10 30 AEEERN C=C[C@H](C)[C@H](C)C(C)=O 52143340 343301505 /nfs/dbraw/zinc/30/15/05/343301505.db2.gz HXVTYHADXTWQFJ-BQBZGAKWSA-N 0 0 126.199 2.034 10 30 AEEERN C=C[C@@H](C)Oc1cccc(O)c1 52143166 343301524 /nfs/dbraw/zinc/30/15/24/343301524.db2.gz BZSMPKQUDUWQIP-MRVPVSSYSA-N 0 0 164.204 2.346 10 30 AEEERN C=C[C@@H](C)Oc1ccc(O)cc1 52143156 343301530 /nfs/dbraw/zinc/30/15/30/343301530.db2.gz IQNQYBDKYYCMMQ-MRVPVSSYSA-N 0 0 164.204 2.346 10 30 AEEERN CCc1ccccc1[C@H](C#N)NC 52203987 343301783 /nfs/dbraw/zinc/30/17/83/343301783.db2.gz ONRPDXYCXJTGDQ-NSHDSACASA-N 0 0 174.247 2.033 10 30 AEEERN CCc1ccccc1[C@@H](C#N)NC 52203986 343301892 /nfs/dbraw/zinc/30/18/92/343301892.db2.gz ONRPDXYCXJTGDQ-LLVKDONJSA-N 0 0 174.247 2.033 10 30 AEEERN C[C@H]1C[C@H]1Nc1ccc(C#N)cc1 52292045 343304886 /nfs/dbraw/zinc/30/48/86/343304886.db2.gz TYDCPNRFVCYQRH-GZMMTYOYSA-N 0 0 172.231 2.379 10 30 AEEERN C[C@H]1C[C@@H]1Nc1ccc(C#N)cc1 52292040 343304965 /nfs/dbraw/zinc/30/49/65/343304965.db2.gz TYDCPNRFVCYQRH-KWQFWETISA-N 0 0 172.231 2.379 10 30 AEEERN C[C@H]1C[C@@H]1Nc1ccccc1C#N 52292030 343305000 /nfs/dbraw/zinc/30/50/00/343305000.db2.gz DDPKXUPBMCXQDD-KWQFWETISA-N 0 0 172.231 2.379 10 30 AEEERN Cc1cc(S[C@H](C)CC#N)n(C)n1 52309910 343305617 /nfs/dbraw/zinc/30/56/17/343305617.db2.gz VOVJPDYRTONVKL-MRVPVSSYSA-N 0 0 195.291 2.123 10 30 AEEERN Cc1cc(S[C@@H](C)CC#N)n(C)n1 52309907 343305724 /nfs/dbraw/zinc/30/57/24/343305724.db2.gz VOVJPDYRTONVKL-QMMMGPOBSA-N 0 0 195.291 2.123 10 30 AEEERN CC[C@H](C#N)Sc1cc(C)nn1C 52309920 343305778 /nfs/dbraw/zinc/30/57/78/343305778.db2.gz JUFPXXOTRBRWBJ-MRVPVSSYSA-N 0 0 195.291 2.123 10 30 AEEERN C[C@H](C#N)N[C@H](C)C1CCCCC1 52336657 343305963 /nfs/dbraw/zinc/30/59/63/343305963.db2.gz SQQUVSWZVOXDID-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN CCC(=O)[C@@H](C#N)c1cccs1 52902529 343311427 /nfs/dbraw/zinc/31/14/27/343311427.db2.gz QUPSZKFSUFBCGR-SSDOTTSWSA-N 0 0 179.244 2.334 10 30 AEEERN CCC(=O)[C@H](C#N)c1cccs1 52902531 343311477 /nfs/dbraw/zinc/31/14/77/343311477.db2.gz QUPSZKFSUFBCGR-ZETCQYMHSA-N 0 0 179.244 2.334 10 30 AEEERN CC#CC[C@@H](O)Cc1cccs1 52900235 343311521 /nfs/dbraw/zinc/31/15/21/343311521.db2.gz KDVZCDBYBAYCMD-SECBINFHSA-N 0 0 180.272 2.065 10 30 AEEERN N#C[C@H](C(=O)C1CC1)c1cccs1 52902534 343311564 /nfs/dbraw/zinc/31/15/64/343311564.db2.gz VWXDRHIIWZNJFI-QMMMGPOBSA-N 0 0 191.255 2.334 10 30 AEEERN N#C[C@@H](C(=O)C1CC1)c1cccs1 52902532 343311597 /nfs/dbraw/zinc/31/15/97/343311597.db2.gz VWXDRHIIWZNJFI-MRVPVSSYSA-N 0 0 191.255 2.334 10 30 AEEERN CC#CC[C@H](O)Cc1cccs1 52900233 343311692 /nfs/dbraw/zinc/31/16/92/343311692.db2.gz KDVZCDBYBAYCMD-VIFPVBQESA-N 0 0 180.272 2.065 10 30 AEEERN Cc1ccc(F)c(C(=O)[C@@H](C)C#N)c1 52983494 343311893 /nfs/dbraw/zinc/31/18/93/343311893.db2.gz KSJCRPSLABQPTQ-QMMMGPOBSA-N 0 0 191.205 2.477 10 30 AEEERN C#CCOc1cccc(Cl)c1C#N 52909104 343312179 /nfs/dbraw/zinc/31/21/79/343312179.db2.gz ARZDXYSWUIVVIM-UHFFFAOYSA-N 0 0 191.617 2.224 10 30 AEEERN Cc1ccc(F)c(C(=O)[C@H](C)C#N)c1 52983495 343312198 /nfs/dbraw/zinc/31/21/98/343312198.db2.gz KSJCRPSLABQPTQ-MRVPVSSYSA-N 0 0 191.205 2.477 10 30 AEEERN N#CCC(=O)C1CCCCCC1 53714785 343315195 /nfs/dbraw/zinc/31/51/95/343315195.db2.gz AXHBJNOMNSDGIN-UHFFFAOYSA-N 0 0 165.236 2.440 10 30 AEEERN C[C@H](C#N)C1CCCC1 54078727 343317476 /nfs/dbraw/zinc/31/74/76/343317476.db2.gz UIUQLPYCKLGRKP-SSDOTTSWSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@@H](C#N)C1CCCC1 54078726 343317521 /nfs/dbraw/zinc/31/75/21/343317521.db2.gz UIUQLPYCKLGRKP-ZETCQYMHSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@H](C#N)c1ccco1 54084982 343317926 /nfs/dbraw/zinc/31/79/26/343317926.db2.gz RTPNJYHECSZHCV-SSDOTTSWSA-N 0 0 135.166 2.297 10 30 AEEERN CCc1cnc(Cl)c(C#N)c1 54159070 343319155 /nfs/dbraw/zinc/31/91/55/343319155.db2.gz JPWSGZAPTSNGGS-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN C[C@@H]1CCC[C@@H](SCC=O)C1 54693041 343327712 /nfs/dbraw/zinc/32/77/12/343327712.db2.gz MYTIFHUEXUMFDX-RKDXNWHRSA-N 0 0 172.293 2.497 10 30 AEEERN C[C@@H](C#N)C(=O)c1cccc(F)c1F 54207100 343319908 /nfs/dbraw/zinc/31/99/08/343319908.db2.gz PLYGURILHZEMEH-LURJTMIESA-N 0 0 195.168 2.307 10 30 AEEERN C[C@H](C#N)C(=O)c1cccc(F)c1F 54207102 343320019 /nfs/dbraw/zinc/32/00/19/343320019.db2.gz PLYGURILHZEMEH-ZCFIWIBFSA-N 0 0 195.168 2.307 10 30 AEEERN CC[C@H](C)Sc1nccnc1C#N 54380602 343322536 /nfs/dbraw/zinc/32/25/36/343322536.db2.gz RKHOYQXWRISCJZ-ZETCQYMHSA-N 0 0 193.275 2.239 10 30 AEEERN C=CCC(=O)Nc1ccc(C)cc1O 54400336 343322539 /nfs/dbraw/zinc/32/25/39/343322539.db2.gz QLIPGNZMAPXFDI-UHFFFAOYSA-N 0 0 191.230 2.215 10 30 AEEERN CC(C)CSc1nccnc1C#N 54380631 343322557 /nfs/dbraw/zinc/32/25/57/343322557.db2.gz OMCOFCCKIZPSLO-UHFFFAOYSA-N 0 0 193.275 2.096 10 30 AEEERN CC[C@@H](C)Sc1nccnc1C#N 54380601 343322768 /nfs/dbraw/zinc/32/27/68/343322768.db2.gz RKHOYQXWRISCJZ-SSDOTTSWSA-N 0 0 193.275 2.239 10 30 AEEERN CCC(C)(C)C(=O)[C@H](C)C#N 54403281 343322916 /nfs/dbraw/zinc/32/29/16/343322916.db2.gz SOERLZFUSOFDEY-SSDOTTSWSA-N 0 0 153.225 2.151 10 30 AEEERN C#Cc1cccc(NC(=O)CC=C)c1 54401380 343322932 /nfs/dbraw/zinc/32/29/32/343322932.db2.gz JGTSNBJBYPBVDW-UHFFFAOYSA-N 0 0 185.226 2.183 10 30 AEEERN CCC(C)(C)C(=O)[C@@H](C)C#N 54403280 343323039 /nfs/dbraw/zinc/32/30/39/343323039.db2.gz SOERLZFUSOFDEY-ZETCQYMHSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C)CNc1ccc(C#N)cn1 54473737 343324802 /nfs/dbraw/zinc/32/48/02/343324802.db2.gz SAZKCLOHGAGXBF-VIFPVBQESA-N 0 0 189.262 2.411 10 30 AEEERN C#CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O 54631320 343326888 /nfs/dbraw/zinc/32/68/88/343326888.db2.gz FYNBAIWNOVTCKH-QJPTWQEYSA-N 0 0 180.291 2.443 10 30 AEEERN C#CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1O 54631314 343326960 /nfs/dbraw/zinc/32/69/60/343326960.db2.gz FYNBAIWNOVTCKH-UTUOFQBUSA-N 0 0 180.291 2.443 10 30 AEEERN C#CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O 54631316 343327092 /nfs/dbraw/zinc/32/70/92/343327092.db2.gz FYNBAIWNOVTCKH-TUAOUCFPSA-N 0 0 180.291 2.443 10 30 AEEERN C#CC[C@@H]1C[C@H](C(C)C)CC[C@H]1O 54631318 343327181 /nfs/dbraw/zinc/32/71/81/343327181.db2.gz FYNBAIWNOVTCKH-IJLUTSLNSA-N 0 0 180.291 2.443 10 30 AEEERN C[C@H]1CCC[C@H](SCC=O)C1 54693039 343327690 /nfs/dbraw/zinc/32/76/90/343327690.db2.gz MYTIFHUEXUMFDX-IUCAKERBSA-N 0 0 172.293 2.497 10 30 AEEERN C[C@@H]1CCC[C@H](SC[C@H](N)C#N)C1 54695029 343327774 /nfs/dbraw/zinc/32/77/74/343327774.db2.gz MAXWXUVTPPAHEH-BBBLOLIVSA-N 0 0 198.335 2.149 10 30 AEEERN C[C@@H]1CCC[C@H](SCC=O)C1 54693037 343327785 /nfs/dbraw/zinc/32/77/85/343327785.db2.gz MYTIFHUEXUMFDX-BDAKNGLRSA-N 0 0 172.293 2.497 10 30 AEEERN C[C@H]1CCC[C@@H](SCC=O)C1 54693043 343327889 /nfs/dbraw/zinc/32/78/89/343327889.db2.gz MYTIFHUEXUMFDX-DTWKUNHWSA-N 0 0 172.293 2.497 10 30 AEEERN C[C@@H]1CCC[C@@H](SC[C@H](N)C#N)C1 54695033 343327946 /nfs/dbraw/zinc/32/79/46/343327946.db2.gz MAXWXUVTPPAHEH-OPRDCNLKSA-N 0 0 198.335 2.149 10 30 AEEERN C=CCc1c(O)cc(F)cc1F 54932497 343331689 /nfs/dbraw/zinc/33/16/89/343331689.db2.gz YKNNBFJQDXROTN-UHFFFAOYSA-N 0 0 170.158 2.399 10 30 AEEERN C[C@H](C#N)Oc1cc(F)cc(F)c1 54933076 343331845 /nfs/dbraw/zinc/33/18/45/343331845.db2.gz SYXYFWAREAICBH-ZCFIWIBFSA-N 0 0 183.157 2.256 10 30 AEEERN C[C@@H](C#N)Oc1cc(F)cc(F)c1 54933075 343331894 /nfs/dbraw/zinc/33/18/94/343331894.db2.gz SYXYFWAREAICBH-LURJTMIESA-N 0 0 183.157 2.256 10 30 AEEERN CO[C@H](CC#N)c1ccccc1 55021113 343332591 /nfs/dbraw/zinc/33/25/91/343332591.db2.gz OIJFJYRTEKWETQ-SNVBAGLBSA-N 0 0 161.204 2.288 10 30 AEEERN Cc1cc([C@@H]2CO2)c(C)s1 55026879 343332597 /nfs/dbraw/zinc/33/25/97/343332597.db2.gz HTJWDILZJDPPGY-QMMMGPOBSA-N 0 0 154.234 2.436 10 30 AEEERN COc1ccccc1C[C@]1(C)CO1 55026806 343332611 /nfs/dbraw/zinc/33/26/11/343332611.db2.gz KKZGJLLLLMXGBA-LLVKDONJSA-N 0 0 178.231 2.027 10 30 AEEERN Cc1cc([C@H]2CO2)c(C)s1 55026881 343332617 /nfs/dbraw/zinc/33/26/17/343332617.db2.gz HTJWDILZJDPPGY-MRVPVSSYSA-N 0 0 154.234 2.436 10 30 AEEERN Cc1ccccc1CSCC=O 54964307 343332623 /nfs/dbraw/zinc/33/26/23/343332623.db2.gz KSDZIUYVCYHHOV-UHFFFAOYSA-N 0 0 180.272 2.427 10 30 AEEERN C[C@@]1(C2CCCCC2)CO1 55026798 343332625 /nfs/dbraw/zinc/33/26/25/343332625.db2.gz VTBARQXSMYZCEX-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN C[C@]1(C2CCCCC2)CO1 55026795 343332628 /nfs/dbraw/zinc/33/26/28/343332628.db2.gz VTBARQXSMYZCEX-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN CO[C@@H](CC#N)c1ccccc1 55021111 343332651 /nfs/dbraw/zinc/33/26/51/343332651.db2.gz OIJFJYRTEKWETQ-JTQLQIEISA-N 0 0 161.204 2.288 10 30 AEEERN Cc1cccc([C@H]2CO2)c1C 55026862 343332759 /nfs/dbraw/zinc/33/27/59/343332759.db2.gz PSYNRRAPBNXIKY-SNVBAGLBSA-N 0 0 148.205 2.375 10 30 AEEERN Cc1cccc([C@@H]2CO2)c1C 55026860 343332761 /nfs/dbraw/zinc/33/27/61/343332761.db2.gz PSYNRRAPBNXIKY-JTQLQIEISA-N 0 0 148.205 2.375 10 30 AEEERN CC(C)CC[C@@]1(C)CO1 55026924 343333033 /nfs/dbraw/zinc/33/30/33/343333033.db2.gz ZGTIKXQPNJWGLR-QMMMGPOBSA-N 0 0 128.215 2.212 10 30 AEEERN C[C@]1(c2c(F)cccc2F)CO1 55032384 343333268 /nfs/dbraw/zinc/33/32/68/343333268.db2.gz JAMZPSBVBYNOKP-SECBINFHSA-N 0 0 170.158 2.210 10 30 AEEERN CCOc1ccccc1[C@@]1(C)CO1 55032357 343333271 /nfs/dbraw/zinc/33/32/71/343333271.db2.gz OIHQOWJFQFIEND-LLVKDONJSA-N 0 0 178.231 2.331 10 30 AEEERN C[C@]1(c2ccc(F)cc2F)CO1 55032520 343333285 /nfs/dbraw/zinc/33/32/85/343333285.db2.gz JQVLPAOXALFOPV-SECBINFHSA-N 0 0 170.158 2.210 10 30 AEEERN C[C@@]1(c2ccc(F)cc2F)CO1 55032522 343333299 /nfs/dbraw/zinc/33/32/99/343333299.db2.gz JQVLPAOXALFOPV-VIFPVBQESA-N 0 0 170.158 2.210 10 30 AEEERN C[C@]1(c2ccccc2F)CO1 55032430 343333327 /nfs/dbraw/zinc/33/33/27/343333327.db2.gz XAKKQXZNDMLOBS-SECBINFHSA-N 0 0 152.168 2.071 10 30 AEEERN C[C@@]1(c2c(F)cccc2F)CO1 55032386 343333334 /nfs/dbraw/zinc/33/33/34/343333334.db2.gz JAMZPSBVBYNOKP-VIFPVBQESA-N 0 0 170.158 2.210 10 30 AEEERN Cc1cccc([C@@]2(C)CO2)c1 55032474 343333348 /nfs/dbraw/zinc/33/33/48/343333348.db2.gz AUMQUEVVOKYTPC-SNVBAGLBSA-N 0 0 148.205 2.240 10 30 AEEERN Cc1cccc([C@]2(C)CO2)c1 55032472 343333377 /nfs/dbraw/zinc/33/33/77/343333377.db2.gz AUMQUEVVOKYTPC-JTQLQIEISA-N 0 0 148.205 2.240 10 30 AEEERN CC[C@]1(c2ccc(F)cc2)CO1 55032497 343333380 /nfs/dbraw/zinc/33/33/80/343333380.db2.gz LFKGEMUJJMSEQY-SNVBAGLBSA-N 0 0 166.195 2.461 10 30 AEEERN C[C@@]1(c2cccc(F)c2)CO1 55032441 343333383 /nfs/dbraw/zinc/33/33/83/343333383.db2.gz JAAFFOJOICVGJV-VIFPVBQESA-N 0 0 152.168 2.071 10 30 AEEERN CC[C@@]1(c2ccc(OC)cc2)CO1 55032351 343333398 /nfs/dbraw/zinc/33/33/98/343333398.db2.gz NYHDLQXQLXWMKZ-NSHDSACASA-N 0 0 178.231 2.331 10 30 AEEERN C[C@@]1(c2ccccc2F)CO1 55032433 343333427 /nfs/dbraw/zinc/33/34/27/343333427.db2.gz XAKKQXZNDMLOBS-VIFPVBQESA-N 0 0 152.168 2.071 10 30 AEEERN C[C@]1(c2cccc(F)c2)CO1 55032440 343333446 /nfs/dbraw/zinc/33/34/46/343333446.db2.gz JAAFFOJOICVGJV-SECBINFHSA-N 0 0 152.168 2.071 10 30 AEEERN CC[C@@]1(c2ccc(F)cc2)CO1 55032499 343333470 /nfs/dbraw/zinc/33/34/70/343333470.db2.gz LFKGEMUJJMSEQY-JTQLQIEISA-N 0 0 166.195 2.461 10 30 AEEERN CCOc1ccccc1[C@]1(C)CO1 55032353 343333476 /nfs/dbraw/zinc/33/34/76/343333476.db2.gz OIHQOWJFQFIEND-NSHDSACASA-N 0 0 178.231 2.331 10 30 AEEERN CC[C@]1(c2ccc(OC)cc2)CO1 55032349 343333482 /nfs/dbraw/zinc/33/34/82/343333482.db2.gz NYHDLQXQLXWMKZ-LLVKDONJSA-N 0 0 178.231 2.331 10 30 AEEERN C[C@@H](C#N)Oc1ccc(CC#N)cc1 55278794 343335210 /nfs/dbraw/zinc/33/52/10/343335210.db2.gz NMWFDBSDBQQTRF-VIFPVBQESA-N 0 0 186.214 2.044 10 30 AEEERN C[C@H](C#N)Oc1ccc(CC#N)cc1 55278796 343335236 /nfs/dbraw/zinc/33/52/36/343335236.db2.gz NMWFDBSDBQQTRF-SECBINFHSA-N 0 0 186.214 2.044 10 30 AEEERN O=CCn1cc(Cl)c2ccccc21 55310425 343335592 /nfs/dbraw/zinc/33/55/92/343335592.db2.gz YAPVMYMWCHTQEG-UHFFFAOYSA-N 0 0 193.633 2.494 10 30 AEEERN CC/C(=N/O)c1ccc(F)cc1 57324270 343336665 /nfs/dbraw/zinc/33/66/65/343336665.db2.gz BIJMVPFMARFJRN-LUAWRHEFSA-N 0 0 167.183 2.414 10 30 AEEERN C/C(=N\O)c1ccc(F)c(F)c1 57324141 343336697 /nfs/dbraw/zinc/33/66/97/343336697.db2.gz XXWRIABUUKRBGK-VZUCSPMQSA-N 0 0 171.146 2.163 10 30 AEEERN CC(C)n1ccnc1SCCC#N 57489736 343337543 /nfs/dbraw/zinc/33/75/43/343337543.db2.gz DRXUPNHUFFWMQV-UHFFFAOYSA-N 0 0 195.291 2.470 10 30 AEEERN CCCCCSCC#N 58254575 343339039 /nfs/dbraw/zinc/33/90/39/343339039.db2.gz GYGWWBCHGNNMCJ-UHFFFAOYSA-N 0 0 143.255 2.433 10 30 AEEERN CC(C)n1ccnc1SCC#N 58519909 343340249 /nfs/dbraw/zinc/34/02/49/343340249.db2.gz GECZXAYSQLGSKY-UHFFFAOYSA-N 0 0 181.264 2.080 10 30 AEEERN NN=C(Nc1ccccc1)C1CCC1 58566041 343341032 /nfs/dbraw/zinc/34/10/32/343341032.db2.gz PXLDGXQUYVMVKK-UHFFFAOYSA-N 0 0 189.262 2.171 10 30 AEEERN C#Cc1ccc(F)cc1Cl 58626277 343341066 /nfs/dbraw/zinc/34/10/66/343341066.db2.gz CLQZYRBIKLGCQL-UHFFFAOYSA-N 0 0 154.571 2.460 10 30 AEEERN NN=C(CC1CC1)Nc1ccccc1 58934846 343341500 /nfs/dbraw/zinc/34/15/00/343341500.db2.gz HSSDRRUQFNHYOR-UHFFFAOYSA-N 0 0 189.262 2.171 10 30 AEEERN CCCN(C)c1cccc(C#N)c1 59184010 343342540 /nfs/dbraw/zinc/34/25/40/343342540.db2.gz KKOWMPXOVVWJLI-UHFFFAOYSA-N 0 0 174.247 2.404 10 30 AEEERN CC(=O)/C=C/c1sc(C)nc1C 59214459 343342891 /nfs/dbraw/zinc/34/28/91/343342891.db2.gz KMTCPALWTDKRDX-SNAWJCMRSA-N 0 0 181.260 2.362 10 30 AEEERN Cc1cc(NC(=O)CS)ccc1F 59241461 343343247 /nfs/dbraw/zinc/34/32/47/343343247.db2.gz CMPGAVGYCQIISQ-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN c1cc(CC[C@@H]2CO2)cs1 59217445 343343303 /nfs/dbraw/zinc/34/33/03/343343303.db2.gz JEEYPNISWDBMKC-MRVPVSSYSA-N 0 0 154.234 2.080 10 30 AEEERN COc1ccccc1C#CSC 59243793 343343415 /nfs/dbraw/zinc/34/34/15/343343415.db2.gz YZAXRDVYSBPYDU-UHFFFAOYSA-N 0 0 178.256 2.367 10 30 AEEERN c1cc(CC[C@H]2CO2)cs1 59217446 343343460 /nfs/dbraw/zinc/34/34/60/343343460.db2.gz JEEYPNISWDBMKC-QMMMGPOBSA-N 0 0 154.234 2.080 10 30 AEEERN Cc1c(Cl)ccc(N)c1C#N 59330974 343344099 /nfs/dbraw/zinc/34/40/99/343344099.db2.gz RPNYTNQUKNQZOG-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN C[C@@H](O)CC#Cc1ccc(Cl)cc1 59410203 343344324 /nfs/dbraw/zinc/34/43/24/343344324.db2.gz FQAXMDQIDIFVIM-SECBINFHSA-N 0 0 194.661 2.462 10 30 AEEERN C[C@H](O)CC#Cc1ccc(Cl)cc1 59410201 343344434 /nfs/dbraw/zinc/34/44/34/343344434.db2.gz FQAXMDQIDIFVIM-VIFPVBQESA-N 0 0 194.661 2.462 10 30 AEEERN O=C(CS)OC1CCCCCC1 59391795 343344474 /nfs/dbraw/zinc/34/44/74/343344474.db2.gz WQFXPTPZNRUROA-UHFFFAOYSA-N 0 0 188.292 2.182 10 30 AEEERN C=CC(=O)Cc1cccs1 59670189 343346905 /nfs/dbraw/zinc/34/69/05/343346905.db2.gz UAACUMSJJZCXQZ-UHFFFAOYSA-N 0 0 152.218 2.046 10 30 AEEERN CCC(CC)n1nc(C)c(C#N)c1N 59702766 343347282 /nfs/dbraw/zinc/34/72/82/343347282.db2.gz ADBBPPJYWVBVQD-UHFFFAOYSA-N 0 0 192.266 2.007 10 30 AEEERN N#CC1(C2CCC2)CCC1 59718462 343347284 /nfs/dbraw/zinc/34/72/84/343347284.db2.gz GYZMXYHQQYSWLZ-UHFFFAOYSA-N 0 0 135.210 2.480 10 30 AEEERN CO[C@H](C#N)c1cccc(C)c1 59867048 343348105 /nfs/dbraw/zinc/34/81/05/343348105.db2.gz NFXVTFCNXZHGTC-SNVBAGLBSA-N 0 0 161.204 2.206 10 30 AEEERN CO[C@@H](C#N)c1cccc(C)c1 59867052 343348139 /nfs/dbraw/zinc/34/81/39/343348139.db2.gz NFXVTFCNXZHGTC-JTQLQIEISA-N 0 0 161.204 2.206 10 30 AEEERN CC[C@H](C=O)C1CCCC1 59902399 343348590 /nfs/dbraw/zinc/34/85/90/343348590.db2.gz RYNLUIKUMWOUQA-MRVPVSSYSA-N 0 0 140.226 2.402 10 30 AEEERN CC[C@@H](C=O)C1CCCC1 59902397 343348636 /nfs/dbraw/zinc/34/86/36/343348636.db2.gz RYNLUIKUMWOUQA-QMMMGPOBSA-N 0 0 140.226 2.402 10 30 AEEERN Cc1ccc(Cn2ccnc2C#N)cc1 59955419 343349212 /nfs/dbraw/zinc/34/92/12/343349212.db2.gz ITCXGKLRHOGALG-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN C=C[C@@H](C)Nc1ccc(N)cc1 60000854 343349459 /nfs/dbraw/zinc/34/94/59/343349459.db2.gz FDEFGQLVFHFJBD-MRVPVSSYSA-N 0 0 162.236 2.255 10 30 AEEERN Fc1ccccc1C#CCl 59965963 343349590 /nfs/dbraw/zinc/34/95/90/343349590.db2.gz XNKGPGGFLIGGEE-UHFFFAOYSA-N 0 0 154.571 2.374 10 30 AEEERN C=C[C@H](C)Nc1ccc(N)cc1 60000849 343349653 /nfs/dbraw/zinc/34/96/53/343349653.db2.gz FDEFGQLVFHFJBD-QMMMGPOBSA-N 0 0 162.236 2.255 10 30 AEEERN C[C@@H](C=O)c1c(F)cccc1F 59978307 343349708 /nfs/dbraw/zinc/34/97/08/343349708.db2.gz QDRJMJHCIFQJPA-LURJTMIESA-N 0 0 170.158 2.267 10 30 AEEERN C[C@H](C=O)c1c(F)cccc1F 59978309 343349881 /nfs/dbraw/zinc/34/98/81/343349881.db2.gz QDRJMJHCIFQJPA-ZCFIWIBFSA-N 0 0 170.158 2.267 10 30 AEEERN Cc1cc(C(=O)CC#N)cs1 60056066 343350032 /nfs/dbraw/zinc/35/00/32/343350032.db2.gz CKNBXZOSADTDGU-UHFFFAOYSA-N 0 0 165.217 2.153 10 30 AEEERN CCc1ccc(C#CCO)cc1CC 60137720 343350916 /nfs/dbraw/zinc/35/09/16/343350916.db2.gz HJOWZKYFLPYTFX-UHFFFAOYSA-N 0 0 188.270 2.155 10 30 AEEERN CCC1(C)C=CC(=O)C=C1 60141489 343351228 /nfs/dbraw/zinc/35/12/28/343351228.db2.gz OZZMSXJCBQZPTL-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN Cc1sccc1CC#N 60237696 343351968 /nfs/dbraw/zinc/35/19/68/343351968.db2.gz KYYGZZGRYBVPCV-UHFFFAOYSA-N 0 0 137.207 2.123 10 30 AEEERN C=C[C@H](C)Sc1cnccn1 60260938 343352557 /nfs/dbraw/zinc/35/25/57/343352557.db2.gz HVFYJLGDLFFCQM-ZETCQYMHSA-N 0 0 166.249 2.143 10 30 AEEERN C#CC(=O)c1ccc(CC)cc1 60293538 343352678 /nfs/dbraw/zinc/35/26/78/343352678.db2.gz SAXCWLJQKWWFPP-UHFFFAOYSA-N 0 0 158.200 2.065 10 30 AEEERN C=C[C@@H](C)Sc1cnccn1 60260942 343353068 /nfs/dbraw/zinc/35/30/68/343353068.db2.gz HVFYJLGDLFFCQM-SSDOTTSWSA-N 0 0 166.249 2.143 10 30 AEEERN COc1cccc(C[C@H](C)C=O)c1 60301272 343353396 /nfs/dbraw/zinc/35/33/96/343353396.db2.gz ZKCFZSNBDWCBSB-VIFPVBQESA-N 0 0 178.231 2.073 10 30 AEEERN COc1cccc(C[C@@H](C)C=O)c1 60301274 343353483 /nfs/dbraw/zinc/35/34/83/343353483.db2.gz ZKCFZSNBDWCBSB-SECBINFHSA-N 0 0 178.231 2.073 10 30 AEEERN C=CC(=O)C(C)(C)CC 60304743 343353522 /nfs/dbraw/zinc/35/35/22/343353522.db2.gz ROQGHTGHPSAJNW-UHFFFAOYSA-N 0 0 126.199 2.178 10 30 AEEERN Cc1ccc(C)c(CCC=O)c1 60710472 343353721 /nfs/dbraw/zinc/35/37/21/343353721.db2.gz FEONHQQIHJWJPS-UHFFFAOYSA-N 0 0 162.232 2.435 10 30 AEEERN CC#CCNc1ccc(N(C)C)cc1 60392330 343353787 /nfs/dbraw/zinc/35/37/87/343353787.db2.gz BXWIQBITCHMRRO-UHFFFAOYSA-N 0 0 188.274 2.188 10 30 AEEERN C#CCNc1cc(F)cc(F)c1F 61095666 343354879 /nfs/dbraw/zinc/35/48/79/343354879.db2.gz PRALCWAYDDBBKF-UHFFFAOYSA-N 0 0 185.148 2.149 10 30 AEEERN Cc1cc(N[C@H](C)C#N)ccc1F 61097689 343354956 /nfs/dbraw/zinc/35/49/56/343354956.db2.gz NUMTUDNQPLAHNU-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1cc(NCC#N)ccc1F 61096862 343354975 /nfs/dbraw/zinc/35/49/75/343354975.db2.gz QSUHTFNFIHKYBN-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN Cc1cc(NCCC#N)ccc1F 61097077 343354985 /nfs/dbraw/zinc/35/49/85/343354985.db2.gz CZCLYKTVRCBZSR-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN Cc1cc(N[C@@H](C)C#N)ccc1F 61097688 343355147 /nfs/dbraw/zinc/35/51/47/343355147.db2.gz NUMTUDNQPLAHNU-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN C[C@H](N[C@H](C)C#N)c1ccsc1 61362609 343356298 /nfs/dbraw/zinc/35/62/98/343356298.db2.gz DQPPGRLETOXWEI-SFYZADRCSA-N 0 0 180.276 2.311 10 30 AEEERN C#CCNc1ccc(OC)cc1C 61567246 343357289 /nfs/dbraw/zinc/35/72/89/343357289.db2.gz GCVKAEDPCGVADO-UHFFFAOYSA-N 0 0 175.231 2.049 10 30 AEEERN N#C[C@@]1(Cl)CCCSC1 61590928 343357787 /nfs/dbraw/zinc/35/77/87/343357787.db2.gz JVSIIRNWBFJPEL-LURJTMIESA-N 0 0 161.657 2.015 10 30 AEEERN C[C@H](C#N)C(=O)C1(c2ccccc2)CC1 61618087 343357955 /nfs/dbraw/zinc/35/79/55/343357955.db2.gz USNOKCIRDZAHKC-SNVBAGLBSA-N 0 0 199.253 2.447 10 30 AEEERN O=C(C1=CCCC1)C1CCOCC1 61671288 343358344 /nfs/dbraw/zinc/35/83/44/343358344.db2.gz KWIFPSPLXLZWPU-UHFFFAOYSA-N 0 0 180.247 2.092 10 30 AEEERN N#Cc1ncccc1COC1CCC1 61664967 343358410 /nfs/dbraw/zinc/35/84/10/343358410.db2.gz BOUYFMLKRLFIGH-UHFFFAOYSA-N 0 0 188.230 2.022 10 30 AEEERN CCSCc1cccnc1C#N 61665026 343358508 /nfs/dbraw/zinc/35/85/08/343358508.db2.gz IORKLRMXAVVYEI-UHFFFAOYSA-N 0 0 178.260 2.206 10 30 AEEERN CC(C)(C)OCc1cccnc1C#N 61664858 343358528 /nfs/dbraw/zinc/35/85/28/343358528.db2.gz PCJOWYSHLOXCNR-UHFFFAOYSA-N 0 0 190.246 2.268 10 30 AEEERN O=C(C1=CCCCC1)C1CCOCC1 61671287 343358549 /nfs/dbraw/zinc/35/85/49/343358549.db2.gz VFMYMKLNRJLWSJ-UHFFFAOYSA-N 0 0 194.274 2.483 10 30 AEEERN Cc1ccc([C@H](C#N)C=O)cc1C 61682043 343360149 /nfs/dbraw/zinc/36/01/49/343360149.db2.gz MNDXUEZQZCKKPP-LLVKDONJSA-N 0 0 173.215 2.110 10 30 AEEERN C#CCC(=O)Cc1ccc(C)c(C)c1 61681439 343360308 /nfs/dbraw/zinc/36/03/08/343360308.db2.gz XLCDOGRCHHMAHL-UHFFFAOYSA-N 0 0 186.254 2.438 10 30 AEEERN Cc1ccc([C@@H](C#N)C=O)cc1C 61682044 343360343 /nfs/dbraw/zinc/36/03/43/343360343.db2.gz MNDXUEZQZCKKPP-NSHDSACASA-N 0 0 173.215 2.110 10 30 AEEERN CC#CC[C@@H](C(C)=O)C(C)C 61687963 343360612 /nfs/dbraw/zinc/36/06/12/343360612.db2.gz OGYVINZCEAOTHB-SNVBAGLBSA-N 0 0 152.237 2.261 10 30 AEEERN CC#CC[C@H](C(C)=O)C(C)C 61687962 343360751 /nfs/dbraw/zinc/36/07/51/343360751.db2.gz OGYVINZCEAOTHB-JTQLQIEISA-N 0 0 152.237 2.261 10 30 AEEERN C=CC[C@H](C(C)=O)C(C)C 61687853 343360806 /nfs/dbraw/zinc/36/08/06/343360806.db2.gz SYSJTWZLWVJITF-VIFPVBQESA-N 0 0 140.226 2.424 10 30 AEEERN C=CC[C@@H](C(C)=O)C(C)C 61687852 343360831 /nfs/dbraw/zinc/36/08/31/343360831.db2.gz SYSJTWZLWVJITF-SECBINFHSA-N 0 0 140.226 2.424 10 30 AEEERN N#CCc1csc(-c2ccco2)n1 61798198 343363522 /nfs/dbraw/zinc/36/35/22/343363522.db2.gz BEYUYOJUBCXBCM-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN CSCc1nc(CC#N)cs1 61798209 343363532 /nfs/dbraw/zinc/36/35/32/343363532.db2.gz QVBWPFJCAZMDCE-UHFFFAOYSA-N 0 0 184.289 2.072 10 30 AEEERN CC(C)Cc1nc(CC#N)cs1 61798162 343363539 /nfs/dbraw/zinc/36/35/39/343363539.db2.gz RZBLGUSCJJLPLD-UHFFFAOYSA-N 0 0 180.276 2.408 10 30 AEEERN N#Cc1cc(OC2CCCC2)ccn1 61815252 343363980 /nfs/dbraw/zinc/36/39/80/343363980.db2.gz JMFBULRDVMNIIA-UHFFFAOYSA-N 0 0 188.230 2.275 10 30 AEEERN CC(C)[C@H](C)Nc1ccnc(C#N)c1 61811634 343363984 /nfs/dbraw/zinc/36/39/84/343363984.db2.gz LNRMXRSHZRBCJH-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN CC[C@@H](C)N(C)c1ccnc(C#N)c1 61814937 343363996 /nfs/dbraw/zinc/36/39/96/343363996.db2.gz QSPVXLPELUXXSG-SECBINFHSA-N 0 0 189.262 2.188 10 30 AEEERN CCCCNc1ccnc(C#N)c1 61811586 343364019 /nfs/dbraw/zinc/36/40/19/343364019.db2.gz BIPZRAHJYYPGLI-UHFFFAOYSA-N 0 0 175.235 2.165 10 30 AEEERN CC[C@@H](C#N)N1CCC(C)(C)CC1 61819935 343364337 /nfs/dbraw/zinc/36/43/37/343364337.db2.gz ULXNJHUBQONVER-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H](C#N)N1CCC(C)(C)CC1 61819938 343364546 /nfs/dbraw/zinc/36/45/46/343364546.db2.gz CDIKLLIXARABCW-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H](C#N)N1CCC(C)(C)CC1 61819936 343364560 /nfs/dbraw/zinc/36/45/60/343364560.db2.gz ULXNJHUBQONVER-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)C[C@H](C#N)N1CCCC1 61840633 343364819 /nfs/dbraw/zinc/36/48/19/343364819.db2.gz VMBUOHFZCLPADP-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)C[C@@H](C#N)N1CCCC1 61840632 343364953 /nfs/dbraw/zinc/36/49/53/343364953.db2.gz VMBUOHFZCLPADP-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C#CCOc1ccc(C#N)c(Cl)c1 61855461 343365847 /nfs/dbraw/zinc/36/58/47/343365847.db2.gz KBYBMHNKPIKRAJ-UHFFFAOYSA-N 0 0 191.617 2.224 10 30 AEEERN C[C@@H](CC#N)SC1CCOCC1 62054447 343369975 /nfs/dbraw/zinc/36/99/75/343369975.db2.gz GFMIZXLGDFNGAD-QMMMGPOBSA-N 0 0 185.292 2.201 10 30 AEEERN N#CCCCSC1CCOCC1 62054372 343370018 /nfs/dbraw/zinc/37/00/18/343370018.db2.gz ZHSKNBKNPXBOAS-UHFFFAOYSA-N 0 0 185.292 2.202 10 30 AEEERN C[C@@H](C#N)CSC1CCOCC1 62054394 343370031 /nfs/dbraw/zinc/37/00/31/343370031.db2.gz DINKYIMFTKPDPX-QMMMGPOBSA-N 0 0 185.292 2.058 10 30 AEEERN C[C@H](CC#N)SC1CCOCC1 62054448 343370124 /nfs/dbraw/zinc/37/01/24/343370124.db2.gz GFMIZXLGDFNGAD-MRVPVSSYSA-N 0 0 185.292 2.201 10 30 AEEERN C[C@H](C#N)CSC1CCOCC1 62054393 343370161 /nfs/dbraw/zinc/37/01/61/343370161.db2.gz DINKYIMFTKPDPX-MRVPVSSYSA-N 0 0 185.292 2.058 10 30 AEEERN C[C@H](C#N)Cc1ccccc1 62170334 343372117 /nfs/dbraw/zinc/37/21/17/343372117.db2.gz IQIWPLPOZHJNMX-VIFPVBQESA-N 0 0 145.205 2.389 10 30 AEEERN COc1ccccc1CC/C(C)=N/O 62153554 343372137 /nfs/dbraw/zinc/37/21/37/343372137.db2.gz UCIGWECYMKPDOR-FMIVXFBMSA-N 0 0 193.246 2.478 10 30 AEEERN COc1cccc(CC/C(C)=N/O)c1 62153553 343372464 /nfs/dbraw/zinc/37/24/64/343372464.db2.gz RCRUYBMQBJUFME-FMIVXFBMSA-N 0 0 193.246 2.478 10 30 AEEERN C[C@@H](C#N)Cc1ccccc1 62170336 343372505 /nfs/dbraw/zinc/37/25/05/343372505.db2.gz IQIWPLPOZHJNMX-SECBINFHSA-N 0 0 145.205 2.389 10 30 AEEERN O=C(C1=CCCC1)[C@H]1CCCOC1 62229783 343372816 /nfs/dbraw/zinc/37/28/16/343372816.db2.gz OOHUYHFYGXYYRS-JTQLQIEISA-N 0 0 180.247 2.092 10 30 AEEERN C[C@H](C=O)Oc1cccc(Cl)c1 62351362 343373765 /nfs/dbraw/zinc/37/37/65/343373765.db2.gz LFUDXAYTMJGLID-SSDOTTSWSA-N 0 0 184.622 2.306 10 30 AEEERN O=C(C1=CCCC1)c1cscn1 62354688 343373932 /nfs/dbraw/zinc/37/39/32/343373932.db2.gz CTDBISYFNAFYDA-UHFFFAOYSA-N 0 0 179.244 2.436 10 30 AEEERN C[C@@H](C=O)Oc1cccc(Cl)c1 62351359 343373951 /nfs/dbraw/zinc/37/39/51/343373951.db2.gz LFUDXAYTMJGLID-ZETCQYMHSA-N 0 0 184.622 2.306 10 30 AEEERN C[C@@H]1Cc2ccccc2N1CCC=O 62537648 343374363 /nfs/dbraw/zinc/37/43/63/343374363.db2.gz NAMRWSKOPJURHG-SNVBAGLBSA-N 0 0 189.258 2.027 10 30 AEEERN C[C@H]1Cc2ccccc2N1CCC=O 62537652 343374418 /nfs/dbraw/zinc/37/44/18/343374418.db2.gz NAMRWSKOPJURHG-JTQLQIEISA-N 0 0 189.258 2.027 10 30 AEEERN O=CCCOc1cccc(Cl)c1 62544827 343374697 /nfs/dbraw/zinc/37/46/97/343374697.db2.gz XAXSNUAYWQZHHY-UHFFFAOYSA-N 0 0 184.622 2.308 10 30 AEEERN O=CCCN1CCCc2ccccc21 62538318 343374714 /nfs/dbraw/zinc/37/47/14/343374714.db2.gz KAHJNZJKDBDWRG-UHFFFAOYSA-N 0 0 189.258 2.028 10 30 AEEERN COc1cccc(SCCC=O)c1 62546712 343374870 /nfs/dbraw/zinc/37/48/70/343374870.db2.gz FTHLIASFHODPFY-UHFFFAOYSA-N 0 0 196.271 2.376 10 30 AEEERN C[C@@H](C#N)Oc1cccc(F)c1F 62614843 343376736 /nfs/dbraw/zinc/37/67/36/343376736.db2.gz AVAORKMQHKILMA-LURJTMIESA-N 0 0 183.157 2.256 10 30 AEEERN C[C@H](C#N)Oc1cccc(F)c1F 62614846 343376817 /nfs/dbraw/zinc/37/68/17/343376817.db2.gz AVAORKMQHKILMA-ZCFIWIBFSA-N 0 0 183.157 2.256 10 30 AEEERN N#C[C@@H](C=O)c1ccc(F)cc1Cl 62610700 343376854 /nfs/dbraw/zinc/37/68/54/343376854.db2.gz UGHHMXQIUOVKBE-LURJTMIESA-N 0 0 197.596 2.285 10 30 AEEERN C=CCc1ccc(F)c(F)c1O 62611885 343376873 /nfs/dbraw/zinc/37/68/73/343376873.db2.gz VVYCQONKVWVIJX-UHFFFAOYSA-N 0 0 170.158 2.399 10 30 AEEERN N#C[C@H](C=O)c1ccc(F)cc1Cl 62610696 343376935 /nfs/dbraw/zinc/37/69/35/343376935.db2.gz UGHHMXQIUOVKBE-ZCFIWIBFSA-N 0 0 197.596 2.285 10 30 AEEERN Cc1ccc(F)cc1C(=O)[C@H](C)C#N 62665899 343377274 /nfs/dbraw/zinc/37/72/74/343377274.db2.gz RUYWJCPMZQWIII-MRVPVSSYSA-N 0 0 191.205 2.477 10 30 AEEERN Cc1ccc(F)cc1C(=O)[C@@H](C)C#N 62665896 343377418 /nfs/dbraw/zinc/37/74/18/343377418.db2.gz RUYWJCPMZQWIII-QMMMGPOBSA-N 0 0 191.205 2.477 10 30 AEEERN Fc1cc([C@H]2CO2)cc(F)c1F 62721205 343378894 /nfs/dbraw/zinc/37/88/94/343378894.db2.gz BKYDAFPOGTZYNU-SSDOTTSWSA-N 0 0 174.121 2.175 10 30 AEEERN Fc1cc([C@@H]2CO2)cc(F)c1F 62721203 343378916 /nfs/dbraw/zinc/37/89/16/343378916.db2.gz BKYDAFPOGTZYNU-ZETCQYMHSA-N 0 0 174.121 2.175 10 30 AEEERN C#CCOc1cc(F)ccc1C(C)=O 62748003 343378937 /nfs/dbraw/zinc/37/89/37/343378937.db2.gz KGEIGXIBJFUJFX-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C=C=CC(=O)c1ccccc1F 62773981 343379189 /nfs/dbraw/zinc/37/91/89/343379189.db2.gz RQSUNEJXFNLKJA-UHFFFAOYSA-N 0 0 162.163 2.032 10 30 AEEERN C#CC[C@H](O)c1ccc(F)cc1F 62774038 343379301 /nfs/dbraw/zinc/37/93/01/343379301.db2.gz XLKNELMQVZFNBE-JTQLQIEISA-N 0 0 182.169 2.022 10 30 AEEERN CC=C=CC(=O)c1ccccc1F 62773970 343379381 /nfs/dbraw/zinc/37/93/81/343379381.db2.gz WPZPNRZPQXXRKR-UHFFFAOYSA-N 0 0 176.190 2.422 10 30 AEEERN CC#CC[C@@H](O)c1ccccc1F 62774141 343379426 /nfs/dbraw/zinc/37/94/26/343379426.db2.gz NHRABMMKSIZHOK-LLVKDONJSA-N 0 0 178.206 2.273 10 30 AEEERN C#CC[C@@H](O)c1ccc(F)cc1F 62774039 343379451 /nfs/dbraw/zinc/37/94/51/343379451.db2.gz XLKNELMQVZFNBE-SNVBAGLBSA-N 0 0 182.169 2.022 10 30 AEEERN C#CCC(=O)c1ccc(F)cc1F 62773913 343379456 /nfs/dbraw/zinc/37/94/56/343379456.db2.gz OVSLSDWZJTYAMB-UHFFFAOYSA-N 0 0 180.153 2.171 10 30 AEEERN CC#CC[C@H](O)c1ccccc1F 62774140 343379480 /nfs/dbraw/zinc/37/94/80/343379480.db2.gz NHRABMMKSIZHOK-NSHDSACASA-N 0 0 178.206 2.273 10 30 AEEERN C#CCC(=O)C1(c2ccccc2)CC1 62780520 343379746 /nfs/dbraw/zinc/37/97/46/343379746.db2.gz XFMVWZCMJGVICZ-UHFFFAOYSA-N 0 0 184.238 2.311 10 30 AEEERN C#CC[C@@H](O)C1(c2ccccc2)CC1 62780732 343380116 /nfs/dbraw/zinc/38/01/16/343380116.db2.gz CQXMFIFTOGVNOT-GFCCVEGCSA-N 0 0 186.254 2.102 10 30 AEEERN C#CC[C@H](O)C1(c2ccccc2)CC1 62780731 343380186 /nfs/dbraw/zinc/38/01/86/343380186.db2.gz CQXMFIFTOGVNOT-LBPRGKRZSA-N 0 0 186.254 2.102 10 30 AEEERN C#CC[C@H](O)c1cc2ccccc2o1 62797371 343380208 /nfs/dbraw/zinc/38/02/08/343380208.db2.gz AZXQRUPNLNEYRT-JTQLQIEISA-N 0 0 186.210 2.490 10 30 AEEERN C#CCOc1cc(Cl)ccc1C#N 62790200 343380224 /nfs/dbraw/zinc/38/02/24/343380224.db2.gz VQHCKDHHZXAXST-UHFFFAOYSA-N 0 0 191.617 2.224 10 30 AEEERN C#CC[C@@H](O)c1cc2ccccc2o1 62797372 343380270 /nfs/dbraw/zinc/38/02/70/343380270.db2.gz AZXQRUPNLNEYRT-SNVBAGLBSA-N 0 0 186.210 2.490 10 30 AEEERN C#CCNc1cc(Cl)ccc1C#N 62785574 343380322 /nfs/dbraw/zinc/38/03/22/343380322.db2.gz AATHHJRMPZIKLJ-UHFFFAOYSA-N 0 0 190.633 2.257 10 30 AEEERN CN(C)c1ccc(C#N)cc1Cl 62793599 343380324 /nfs/dbraw/zinc/38/03/24/343380324.db2.gz HTFPOJVCSIZACZ-UHFFFAOYSA-N 0 0 180.638 2.278 10 30 AEEERN C=CCOc1cccc2c1CC[C@@H]2O 62800570 343380548 /nfs/dbraw/zinc/38/05/48/343380548.db2.gz PJUNGMPFWQKDHB-NSHDSACASA-N 0 0 190.242 2.231 10 30 AEEERN C=CCOc1cccc2c1CC[C@H]2O 62800571 343380574 /nfs/dbraw/zinc/38/05/74/343380574.db2.gz PJUNGMPFWQKDHB-LLVKDONJSA-N 0 0 190.242 2.231 10 30 AEEERN C#CCC(=O)c1ccc2ncccc2c1 62801773 343380629 /nfs/dbraw/zinc/38/06/29/343380629.db2.gz RZYJHOHEEKPOQU-UHFFFAOYSA-N 0 0 195.221 2.441 10 30 AEEERN C1CCC(SC[C@H]2CO2)C1 62829771 343382524 /nfs/dbraw/zinc/38/25/24/343382524.db2.gz ZYRJIPSBLSDOBF-SSDOTTSWSA-N 0 0 158.266 2.061 10 30 AEEERN C1CCC(SC[C@@H]2CO2)C1 62829770 343382769 /nfs/dbraw/zinc/38/27/69/343382769.db2.gz ZYRJIPSBLSDOBF-ZETCQYMHSA-N 0 0 158.266 2.061 10 30 AEEERN N#CCSCC1CCCC1 62836022 343383346 /nfs/dbraw/zinc/38/33/46/343383346.db2.gz DUTWCDJFQXRLQV-UHFFFAOYSA-N 0 0 155.266 2.433 10 30 AEEERN CC(=N)Nc1cc(F)cc(F)c1F 62986880 343389980 /nfs/dbraw/zinc/38/99/80/343389980.db2.gz RLJUBGFZJXOJQA-UHFFFAOYSA-N 0 0 188.152 2.113 10 30 AEEERN N=C(Nc1c(F)cccc1F)C1CC1 62989471 343392314 /nfs/dbraw/zinc/39/23/14/343392314.db2.gz AVKRQNFWOQYFFW-UHFFFAOYSA-N 0 0 196.200 2.364 10 30 AEEERN CCC(=N)Nc1c(F)cccc1F 62989468 343392557 /nfs/dbraw/zinc/39/25/57/343392557.db2.gz PYGKTXIEIWMQLJ-UHFFFAOYSA-N 0 0 184.189 2.364 10 30 AEEERN Cc1cc(O[C@@H](C)C#N)c(C)cc1N 62997890 343396160 /nfs/dbraw/zinc/39/61/60/343396160.db2.gz VHYLMHBIJVFKFB-VIFPVBQESA-N 0 0 190.246 2.177 10 30 AEEERN Cc1cc(O[C@H](C)C#N)c(C)cc1N 62997891 343396215 /nfs/dbraw/zinc/39/62/15/343396215.db2.gz VHYLMHBIJVFKFB-SECBINFHSA-N 0 0 190.246 2.177 10 30 AEEERN Cc1nnc(CC#N)c2ccccc12 63046471 343397828 /nfs/dbraw/zinc/39/78/28/343397828.db2.gz MQPLRGZVJYIKHB-UHFFFAOYSA-N 0 0 183.214 2.004 10 30 AEEERN N#C[C@@H]1CCC[C@H]1NCc1ccoc1 63047534 343398143 /nfs/dbraw/zinc/39/81/43/343398143.db2.gz KQHBZMPTNWTNNI-WDEREUQCSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccoc1 63047535 343398210 /nfs/dbraw/zinc/39/82/10/343398210.db2.gz KQHBZMPTNWTNNI-QWRGUYRKSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@H]1CCC[C@H]1NCc1ccoc1 63047532 343398379 /nfs/dbraw/zinc/39/83/79/343398379.db2.gz KQHBZMPTNWTNNI-GHMZBOCLSA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@H]1CCC[C@@H]1NCc1ccoc1 63047533 343398321 /nfs/dbraw/zinc/39/83/21/343398321.db2.gz KQHBZMPTNWTNNI-MNOVXSKESA-N 0 0 190.246 2.061 10 30 AEEERN N#C[C@@H](CO)CC1CCCCC1 63064098 343399091 /nfs/dbraw/zinc/39/90/91/343399091.db2.gz RSVPREGZSMFQIV-JTQLQIEISA-N 0 0 167.252 2.089 10 30 AEEERN Cc1cc(C(=O)CC#N)ccc1F 63056892 343399228 /nfs/dbraw/zinc/39/92/28/343399228.db2.gz LHALWHGOBSNCBL-UHFFFAOYSA-N 0 0 177.178 2.231 10 30 AEEERN N#C[C@H](CO)CC1CCCCC1 63064097 343399237 /nfs/dbraw/zinc/39/92/37/343399237.db2.gz RSVPREGZSMFQIV-SNVBAGLBSA-N 0 0 167.252 2.089 10 30 AEEERN CC[C@@H](C#N)N1CCCC1(C)C 63067157 343399699 /nfs/dbraw/zinc/39/96/99/343399699.db2.gz OEFIOZCQFPKUAS-VIFPVBQESA-N 0 0 166.268 2.163 10 30 AEEERN C#CC[C@@](C)(O)c1cccc(F)c1 63076724 343400873 /nfs/dbraw/zinc/40/08/73/343400873.db2.gz HSJJLNVNBBFTGR-LLVKDONJSA-N 0 0 178.206 2.057 10 30 AEEERN C#CC[C@](C)(O)c1cccc(F)c1 63076725 343400899 /nfs/dbraw/zinc/40/08/99/343400899.db2.gz HSJJLNVNBBFTGR-NSHDSACASA-N 0 0 178.206 2.057 10 30 AEEERN C#CC[C@](O)(CC)c1ccccc1 63076750 343400929 /nfs/dbraw/zinc/40/09/29/343400929.db2.gz KGYPOWCMXGILAW-GFCCVEGCSA-N 0 0 174.243 2.308 10 30 AEEERN C#CC[C@](C)(O)c1ccc(CC)cc1 63076769 343401005 /nfs/dbraw/zinc/40/10/05/343401005.db2.gz WTNPBBPXBDXYGZ-ZDUSSCGKSA-N 0 0 188.270 2.480 10 30 AEEERN C#CC[C@@]1(O)CCCc2ccccc21 63076710 343401110 /nfs/dbraw/zinc/40/11/10/343401110.db2.gz INGMTECVKIGYMN-CYBMUJFWSA-N 0 0 186.254 2.234 10 30 AEEERN C#CC[C@]1(O)CCCc2ccccc21 63076709 343401135 /nfs/dbraw/zinc/40/11/35/343401135.db2.gz INGMTECVKIGYMN-ZDUSSCGKSA-N 0 0 186.254 2.234 10 30 AEEERN C#CC[C@@](C)(O)c1ccc(CC)cc1 63076768 343401141 /nfs/dbraw/zinc/40/11/41/343401141.db2.gz WTNPBBPXBDXYGZ-CYBMUJFWSA-N 0 0 188.270 2.480 10 30 AEEERN C#CC[C@@](O)(CC)c1ccccc1 63076751 343401201 /nfs/dbraw/zinc/40/12/01/343401201.db2.gz KGYPOWCMXGILAW-LBPRGKRZSA-N 0 0 174.243 2.308 10 30 AEEERN C[C@@H](CC#N)N(C)c1ccc(N)cc1 63086785 343401446 /nfs/dbraw/zinc/40/14/46/343401446.db2.gz JSYJZDBVYASRKI-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN C[C@@H](CC#N)N(C)c1cccc(N)c1 63086845 343401459 /nfs/dbraw/zinc/40/14/59/343401459.db2.gz SUTAQFGNLOCBDE-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN C[C@H](CC#N)N(C)c1ccc(N)cc1 63086786 343401518 /nfs/dbraw/zinc/40/15/18/343401518.db2.gz JSYJZDBVYASRKI-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN C[C@H](CC#N)N(C)c1cccc(N)c1 63086846 343401586 /nfs/dbraw/zinc/40/15/86/343401586.db2.gz SUTAQFGNLOCBDE-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN C[C@H](CC#N)N(C)c1ccccc1N 63086722 343401602 /nfs/dbraw/zinc/40/16/02/343401602.db2.gz LSCMOEDHGOENJX-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN Cc1cccnc1N(C)[C@@H](C)CC#N 63096017 343402241 /nfs/dbraw/zinc/40/22/41/343402241.db2.gz OVKVQXTWESUWNT-JTQLQIEISA-N 0 0 189.262 2.128 10 30 AEEERN Cc1csc(N(C)[C@@H](C)CC#N)n1 63096185 343402286 /nfs/dbraw/zinc/40/22/86/343402286.db2.gz BWVRBUXCRVLLAS-QMMMGPOBSA-N 0 0 195.291 2.190 10 30 AEEERN Cc1csc(N(C)[C@H](C)CC#N)n1 63096187 343402299 /nfs/dbraw/zinc/40/22/99/343402299.db2.gz BWVRBUXCRVLLAS-MRVPVSSYSA-N 0 0 195.291 2.190 10 30 AEEERN CCCCOCCN(C)[C@H](C)CC#N 63095815 343402325 /nfs/dbraw/zinc/40/23/25/343402325.db2.gz FSBIMHXEGYTKGG-LLVKDONJSA-N 0 0 198.310 2.037 10 30 AEEERN Cc1ccc(N(C)[C@H](C)CC#N)nc1 63096279 343402427 /nfs/dbraw/zinc/40/24/27/343402427.db2.gz NLUZHUPQCSACQD-SNVBAGLBSA-N 0 0 189.262 2.128 10 30 AEEERN Cc1cccnc1N(C)[C@H](C)CC#N 63096019 343402428 /nfs/dbraw/zinc/40/24/28/343402428.db2.gz OVKVQXTWESUWNT-SNVBAGLBSA-N 0 0 189.262 2.128 10 30 AEEERN Cc1cccc(N(C)[C@@H](C)CC#N)n1 63096002 343402430 /nfs/dbraw/zinc/40/24/30/343402430.db2.gz PZBNRYYNKQZGTQ-JTQLQIEISA-N 0 0 189.262 2.128 10 30 AEEERN CCCCOCCN(C)[C@@H](C)CC#N 63095814 343402453 /nfs/dbraw/zinc/40/24/53/343402453.db2.gz FSBIMHXEGYTKGG-NSHDSACASA-N 0 0 198.310 2.037 10 30 AEEERN Cc1ccnc(N(C)[C@H](C)CC#N)c1 63095895 343402473 /nfs/dbraw/zinc/40/24/73/343402473.db2.gz UJMBGQPWFTWVMC-SNVBAGLBSA-N 0 0 189.262 2.128 10 30 AEEERN Cc1ccnc(N(C)[C@@H](C)CC#N)c1 63095893 343402481 /nfs/dbraw/zinc/40/24/81/343402481.db2.gz UJMBGQPWFTWVMC-JTQLQIEISA-N 0 0 189.262 2.128 10 30 AEEERN Cc1cccc(N(C)[C@H](C)CC#N)n1 63096004 343402502 /nfs/dbraw/zinc/40/25/02/343402502.db2.gz PZBNRYYNKQZGTQ-SNVBAGLBSA-N 0 0 189.262 2.128 10 30 AEEERN Cc1ccc(N(C)[C@@H](C)CC#N)nc1 63096277 343402537 /nfs/dbraw/zinc/40/25/37/343402537.db2.gz NLUZHUPQCSACQD-JTQLQIEISA-N 0 0 189.262 2.128 10 30 AEEERN CCN(c1ccc(N)cc1)[C@H](C)C#N 63114610 343403109 /nfs/dbraw/zinc/40/31/09/343403109.db2.gz WSMCQSXNWZQXFX-SECBINFHSA-N 0 0 189.262 2.007 10 30 AEEERN CCN(c1ccc(N)cc1)[C@@H](C)C#N 63114608 343403172 /nfs/dbraw/zinc/40/31/72/343403172.db2.gz WSMCQSXNWZQXFX-VIFPVBQESA-N 0 0 189.262 2.007 10 30 AEEERN C=C(C)C[C@H](C)C(=O)OCC 66309043 343409237 /nfs/dbraw/zinc/40/92/37/343409237.db2.gz XNSTVAFSRSRYQC-QMMMGPOBSA-N 0 0 156.225 2.152 10 30 AEEERN C=CCOc1c(C)cc(N)cc1C 66140628 343409287 /nfs/dbraw/zinc/40/92/87/343409287.db2.gz SCHLKUOROLUFLO-UHFFFAOYSA-N 0 0 177.247 2.450 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)OCC 66309046 343409532 /nfs/dbraw/zinc/40/95/32/343409532.db2.gz XNSTVAFSRSRYQC-MRVPVSSYSA-N 0 0 156.225 2.152 10 30 AEEERN CC#CCn1cc(C)c(C)c1C 68944357 343416257 /nfs/dbraw/zinc/41/62/57/343416257.db2.gz BMIAZNTZUREUJB-UHFFFAOYSA-N 0 0 161.248 2.437 10 30 AEEERN Cc1[nH]c(CC#N)c(C)c1C 68944579 343416267 /nfs/dbraw/zinc/41/62/67/343416267.db2.gz QVIAZCKFSGZWML-UHFFFAOYSA-N 0 0 148.209 2.006 10 30 AEEERN Nc1cccc(C#Cc2ccoc2)c1 68978141 343417899 /nfs/dbraw/zinc/41/78/99/343417899.db2.gz GURHMCOGMFVNIA-UHFFFAOYSA-N 0 0 183.210 2.262 10 30 AEEERN C#CCNc1cccc2cccnc12 68989642 343419732 /nfs/dbraw/zinc/41/97/32/343419732.db2.gz UHEIYQVYGGFPAW-UHFFFAOYSA-N 0 0 182.226 2.280 10 30 AEEERN C#CCNc1c(C)nn(C(C)C)c1C 68991029 343419992 /nfs/dbraw/zinc/41/99/92/343419992.db2.gz CRJCLRNAGSOXEQ-UHFFFAOYSA-N 0 0 191.278 2.126 10 30 AEEERN C#CCNc1ccc2ncccc2c1 68991122 343420292 /nfs/dbraw/zinc/42/02/92/343420292.db2.gz BSYBRYXXOMXFPN-UHFFFAOYSA-N 0 0 182.226 2.280 10 30 AEEERN CC(C)[C@H](C)C(=O)[C@@H](C)C#N 69687286 343434666 /nfs/dbraw/zinc/43/46/66/343434666.db2.gz AHNIOVUSIOTSHF-YUMQZZPRSA-N 0 0 153.225 2.007 10 30 AEEERN C[C@@H](C#N)Oc1cc(N)ccc1Cl 69635166 343428930 /nfs/dbraw/zinc/42/89/30/343428930.db2.gz DTJZPIIAWCCHKT-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C#CCCOc1cc(N)ccc1Cl 69635083 343429166 /nfs/dbraw/zinc/42/91/66/343429166.db2.gz XUAQJEVVGPJOPQ-UHFFFAOYSA-N 0 0 195.649 2.324 10 30 AEEERN C[C@H](C#N)Oc1cc(N)ccc1Cl 69635168 343428955 /nfs/dbraw/zinc/42/89/55/343428955.db2.gz DTJZPIIAWCCHKT-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN C#CC[C@@](C)(O)c1sccc1C 69637191 343429746 /nfs/dbraw/zinc/42/97/46/343429746.db2.gz MWLOXSCHFFYIOD-SNVBAGLBSA-N 0 0 180.272 2.287 10 30 AEEERN C#CC[C@](C)(O)c1sccc1C 69637192 343429908 /nfs/dbraw/zinc/42/99/08/343429908.db2.gz MWLOXSCHFFYIOD-JTQLQIEISA-N 0 0 180.272 2.287 10 30 AEEERN C[C@@H](C#N)N[C@H]1CC[C@@H](C)C[C@H]1C 69675699 343431927 /nfs/dbraw/zinc/43/19/27/343431927.db2.gz NLAOQIRRHRIFTH-ZNSHCXBVSA-N 0 0 180.295 2.313 10 30 AEEERN C#CC(C)(C)NCc1ccc(Cl)o1 69679275 343432623 /nfs/dbraw/zinc/43/26/23/343432623.db2.gz NAYZKXPYWMPTEL-UHFFFAOYSA-N 0 0 197.665 2.434 10 30 AEEERN C#CC(C)(C)N[C@H]1CCCC[C@@H]1C#N 69680885 343433237 /nfs/dbraw/zinc/43/32/37/343433237.db2.gz TWYCZSGXKYOAME-MNOVXSKESA-N 0 0 190.290 2.070 10 30 AEEERN C#CC(C)(C)N[C@H]1CCCC[C@H]1C#N 69680894 343433306 /nfs/dbraw/zinc/43/33/06/343433306.db2.gz TWYCZSGXKYOAME-QWRGUYRKSA-N 0 0 190.290 2.070 10 30 AEEERN C#CC(C)(C)n1c(C)ccc1C 69680714 343433315 /nfs/dbraw/zinc/43/33/15/343433315.db2.gz NYZDSKHXKUCKFA-UHFFFAOYSA-N 0 0 161.248 2.473 10 30 AEEERN C#CC(C)(C)Nc1ncccc1F 69682400 343433698 /nfs/dbraw/zinc/43/36/98/343433698.db2.gz NOHVNXCBDRQBDU-UHFFFAOYSA-N 0 0 178.210 2.044 10 30 AEEERN C#CC(C)(C)Nc1cc(C)ccn1 69682104 343433773 /nfs/dbraw/zinc/43/37/73/343433773.db2.gz XYSIBJIUMUORBA-UHFFFAOYSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC(C)(C)Nc1cccc(C)n1 69682394 343433788 /nfs/dbraw/zinc/43/37/88/343433788.db2.gz MJPXJPNTTNXNTI-UHFFFAOYSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC(C)(C)Nc1ncccc1C 69682161 343433887 /nfs/dbraw/zinc/43/38/87/343433887.db2.gz HNHZBQHHLZYNIA-UHFFFAOYSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC(C)(C)Nc1ccc(C)cn1 69682327 343433923 /nfs/dbraw/zinc/43/39/23/343433923.db2.gz WGKZOKJUPCTCPP-UHFFFAOYSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC(C)(C)Nc1nc(C)cs1 69682324 343433949 /nfs/dbraw/zinc/43/39/49/343433949.db2.gz NFIAWGCTYWLSRM-UHFFFAOYSA-N 0 0 180.276 2.275 10 30 AEEERN CC(C)[C@@H](C)C(=O)[C@H](C)C#N 69687287 343434654 /nfs/dbraw/zinc/43/46/54/343434654.db2.gz AHNIOVUSIOTSHF-HTQZYQBOSA-N 0 0 153.225 2.007 10 30 AEEERN CC(C)[C@@H](C)C(=O)[C@@H](C)C#N 69687284 343434671 /nfs/dbraw/zinc/43/46/71/343434671.db2.gz AHNIOVUSIOTSHF-JGVFFNPUSA-N 0 0 153.225 2.007 10 30 AEEERN CC(C)[C@H](C)C(=O)[C@H](C)C#N 69687291 343434748 /nfs/dbraw/zinc/43/47/48/343434748.db2.gz AHNIOVUSIOTSHF-SFYZADRCSA-N 0 0 153.225 2.007 10 30 AEEERN CC[C@@H](C#N)N1CCCC(C)(C)C1 69793316 343441582 /nfs/dbraw/zinc/44/15/82/343441582.db2.gz WWEZKGQADGZHQV-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)N1CCCC(C)(C)C1 69793318 343441781 /nfs/dbraw/zinc/44/17/81/343441781.db2.gz WWEZKGQADGZHQV-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)C1CCCC1 69804629 343443570 /nfs/dbraw/zinc/44/35/70/343443570.db2.gz VBXZZWQZVXYJHW-KOLCDFICSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@H](C)C1CCCC1 69804630 343443676 /nfs/dbraw/zinc/44/36/76/343443676.db2.gz VBXZZWQZVXYJHW-MWLCHTKSSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@@H](C#N)N[C@@H](C)C1CCCC1 69804625 343443743 /nfs/dbraw/zinc/44/37/43/343443743.db2.gz VBXZZWQZVXYJHW-ONGXEEELSA-N 0 0 180.295 2.457 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)C1CCCC1 69804627 343443786 /nfs/dbraw/zinc/44/37/86/343443786.db2.gz VBXZZWQZVXYJHW-GXSJLCMTSA-N 0 0 180.295 2.457 10 30 AEEERN CCCC[C@@H]1CC(=O)C=CO1 69850492 343447949 /nfs/dbraw/zinc/44/79/49/343447949.db2.gz JXBCBVFEKPPODV-SECBINFHSA-N 0 0 154.209 2.048 10 30 AEEERN CCC(CC)[C@H]1CC(=O)C=CO1 69850377 343447953 /nfs/dbraw/zinc/44/79/53/343447953.db2.gz VRBKKGKMIBTLIB-SNVBAGLBSA-N 0 0 168.236 2.294 10 30 AEEERN O=C1C=CO[C@H](Cc2ccccc2)C1 69850291 343447960 /nfs/dbraw/zinc/44/79/60/343447960.db2.gz DGXDLIUPABHAJU-GFCCVEGCSA-N 0 0 188.226 2.101 10 30 AEEERN CCC1(CC)CC(=O)C=CO1 69852423 343449216 /nfs/dbraw/zinc/44/92/16/343449216.db2.gz WMHBHAOAFLKWSD-UHFFFAOYSA-N 0 0 154.209 2.048 10 30 AEEERN CC(C)[C@H]1C[C@](Cl)(C#N)CCO1 69898622 343454326 /nfs/dbraw/zinc/45/43/26/343454326.db2.gz KAFZRVNCUHHTFO-BDAKNGLRSA-N 0 0 187.670 2.323 10 30 AEEERN CC(C)[C@@H]1C[C@@](Cl)(C#N)CCO1 69898623 343454327 /nfs/dbraw/zinc/45/43/27/343454327.db2.gz KAFZRVNCUHHTFO-DTWKUNHWSA-N 0 0 187.670 2.323 10 30 AEEERN CC(C)[C@H]1C[C@@](Cl)(C#N)CCO1 69898625 343454323 /nfs/dbraw/zinc/45/43/23/343454323.db2.gz KAFZRVNCUHHTFO-RKDXNWHRSA-N 0 0 187.670 2.323 10 30 AEEERN CC[C@@H]1C[C@](Cl)(C#N)CCO1 69898630 343454356 /nfs/dbraw/zinc/45/43/56/343454356.db2.gz JUWGUSRGKAGEJZ-SFYZADRCSA-N 0 0 173.643 2.077 10 30 AEEERN CCC[C@@H]1C[C@@](Cl)(C#N)CCO1 69898588 343454426 /nfs/dbraw/zinc/45/44/26/343454426.db2.gz SLACCBHONYEKNI-RKDXNWHRSA-N 0 0 187.670 2.467 10 30 AEEERN CCC[C@@H]1C[C@](Cl)(C#N)CCO1 69898580 343454485 /nfs/dbraw/zinc/45/44/85/343454485.db2.gz SLACCBHONYEKNI-BDAKNGLRSA-N 0 0 187.670 2.467 10 30 AEEERN CC[C@@H]1C[C@@](Cl)(C#N)CCO1 69898638 343454497 /nfs/dbraw/zinc/45/44/97/343454497.db2.gz JUWGUSRGKAGEJZ-HTQZYQBOSA-N 0 0 173.643 2.077 10 30 AEEERN CC(C)[C@@H]1C[C@](Cl)(C#N)CCO1 69898620 343454506 /nfs/dbraw/zinc/45/45/06/343454506.db2.gz KAFZRVNCUHHTFO-IUCAKERBSA-N 0 0 187.670 2.323 10 30 AEEERN CC[C@H]1C[C@@](Cl)(C#N)CCO1 69898641 343454514 /nfs/dbraw/zinc/45/45/14/343454514.db2.gz JUWGUSRGKAGEJZ-JGVFFNPUSA-N 0 0 173.643 2.077 10 30 AEEERN Fc1cccc([C@@H]2CO2)c1F 69900806 343454759 /nfs/dbraw/zinc/45/47/59/343454759.db2.gz GRAXVKDNMBJFDL-ZETCQYMHSA-N 0 0 156.131 2.036 10 30 AEEERN Cc1ccc([C@H]2CO2)cc1F 69900771 343454841 /nfs/dbraw/zinc/45/48/41/343454841.db2.gz FMBTVDCOEJLIDC-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN Cc1ccc([C@@H]2CO2)cc1F 69900768 343455008 /nfs/dbraw/zinc/45/50/08/343455008.db2.gz FMBTVDCOEJLIDC-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN C=CCc1cc(Cl)cnc1N 69943686 343458633 /nfs/dbraw/zinc/45/86/33/343458633.db2.gz WJTPSQRSBWFBKV-UHFFFAOYSA-N 0 0 168.627 2.046 10 30 AEEERN N#CCc1csc(-c2ccoc2)n1 69947229 343460446 /nfs/dbraw/zinc/46/04/46/343460446.db2.gz AOJCFHRLUQPLHW-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN CCCc1nccn1CCCC#N 69964024 343460451 /nfs/dbraw/zinc/46/04/51/343460451.db2.gz HPOHCTDDPCCYDU-UHFFFAOYSA-N 0 0 177.251 2.139 10 30 AEEERN CCc1ccc(CC)c(C#CCO)c1 70006807 343465439 /nfs/dbraw/zinc/46/54/39/343465439.db2.gz BBXZRDXDOJGAED-UHFFFAOYSA-N 0 0 188.270 2.155 10 30 AEEERN COc1cc(C)ccc1/C(C)=N/O 70159247 343475490 /nfs/dbraw/zinc/47/54/90/343475490.db2.gz OZKYKDFQRHTBMM-DHZHZOJOSA-N 0 0 179.219 2.202 10 30 AEEERN C#CCCNc1ccc(F)cc1F 70159460 343475523 /nfs/dbraw/zinc/47/55/23/343475523.db2.gz NKUXBXDNNSGWFQ-UHFFFAOYSA-N 0 0 181.185 2.400 10 30 AEEERN C#CCCN1c2ccccc2C[C@@H]1C 70159418 343475571 /nfs/dbraw/zinc/47/55/71/343475571.db2.gz HQHCQACQHQXXGW-NSHDSACASA-N 0 0 185.270 2.461 10 30 AEEERN C#CCCN1c2ccccc2C[C@H]1C 70159417 343475611 /nfs/dbraw/zinc/47/56/11/343475611.db2.gz HQHCQACQHQXXGW-LLVKDONJSA-N 0 0 185.270 2.461 10 30 AEEERN C#CCCNc1cccc(F)c1 70159482 343475623 /nfs/dbraw/zinc/47/56/23/343475623.db2.gz HHYOJCRNLJFQPC-UHFFFAOYSA-N 0 0 163.195 2.261 10 30 AEEERN C#CCCNc1ccc(C)cc1 70159479 343475768 /nfs/dbraw/zinc/47/57/68/343475768.db2.gz AXPPCNOQXGFKBO-UHFFFAOYSA-N 0 0 159.232 2.430 10 30 AEEERN C#CCCNc1cccc(OC)c1 70159475 343475786 /nfs/dbraw/zinc/47/57/86/343475786.db2.gz MMSOCEFQWOUBBS-UHFFFAOYSA-N 0 0 175.231 2.130 10 30 AEEERN CCN(CC#N)CCc1cccs1 70162417 343476190 /nfs/dbraw/zinc/47/61/90/343476190.db2.gz CJBWTGZCCAINRU-UHFFFAOYSA-N 0 0 194.303 2.136 10 30 AEEERN C#CCOc1ccc(F)c(Cl)c1 70168496 343476613 /nfs/dbraw/zinc/47/66/13/343476613.db2.gz XXMQMVYAQFQMEB-UHFFFAOYSA-N 0 0 184.597 2.491 10 30 AEEERN CSCCNc1ccccc1C#N 70185968 343477257 /nfs/dbraw/zinc/47/72/57/343477257.db2.gz KXNLGONKIHSBES-UHFFFAOYSA-N 0 0 192.287 2.333 10 30 AEEERN CCN(CC#N)[C@H]1CCC[C@H](C)C1 70203840 343478660 /nfs/dbraw/zinc/47/86/60/343478660.db2.gz QPXUDQAUCXIMFA-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CCN(CC#N)[C@@H]1CCC[C@H](C)C1 70203838 343478785 /nfs/dbraw/zinc/47/87/85/343478785.db2.gz QPXUDQAUCXIMFA-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@@H]1CCCN(CC#N)CC1 70203993 343478907 /nfs/dbraw/zinc/47/89/07/343478907.db2.gz UEMNBSQAZYKCSN-LLVKDONJSA-N 0 0 180.295 2.412 10 30 AEEERN CCC[C@H]1CCCN(CC#N)CC1 70203995 343478922 /nfs/dbraw/zinc/47/89/22/343478922.db2.gz UEMNBSQAZYKCSN-NSHDSACASA-N 0 0 180.295 2.412 10 30 AEEERN C=C(C)CN(CC)C(=O)C(C)C 70224485 343480368 /nfs/dbraw/zinc/48/03/68/343480368.db2.gz DGZZCGDMZLHYHT-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN CCN(CC#N)C1CCC(C)CC1 70236037 343485588 /nfs/dbraw/zinc/48/55/88/343485588.db2.gz HSQQDILJOLKLLR-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C#CCCNc1cc(C)ccc1C#N 70246680 343485645 /nfs/dbraw/zinc/48/56/45/343485645.db2.gz TZXUGNKUHFXKFM-UHFFFAOYSA-N 0 0 184.242 2.302 10 30 AEEERN Cc1cccc2c1ccn2C[C@H]1CO1 70453492 343487975 /nfs/dbraw/zinc/48/79/75/343487975.db2.gz SCDKZNVIUVIGLE-JTQLQIEISA-N 0 0 187.242 2.349 10 30 AEEERN C=C[C@@H]1OC(=O)c2ccccc21 70453588 343488079 /nfs/dbraw/zinc/48/80/79/343488079.db2.gz BCIXCJIKSNDNBL-VIFPVBQESA-N 0 0 160.172 2.084 10 30 AEEERN Cc1ccc2ccn(C[C@H]3CO3)c2c1 70453488 343488125 /nfs/dbraw/zinc/48/81/25/343488125.db2.gz ANSIEJDODZVNQS-NSHDSACASA-N 0 0 187.242 2.349 10 30 AEEERN Cc1ccc2ccn(C[C@@H]3CO3)c2c1 70453487 343488148 /nfs/dbraw/zinc/48/81/48/343488148.db2.gz ANSIEJDODZVNQS-LLVKDONJSA-N 0 0 187.242 2.349 10 30 AEEERN Cc1cccc2ccn(C[C@H]3CO3)c12 70453486 343488205 /nfs/dbraw/zinc/48/82/05/343488205.db2.gz HPGBUMGWRPPXEL-NSHDSACASA-N 0 0 187.242 2.349 10 30 AEEERN C=C[C@H]1OC(=O)c2ccccc21 70453587 343488225 /nfs/dbraw/zinc/48/82/25/343488225.db2.gz BCIXCJIKSNDNBL-SECBINFHSA-N 0 0 160.172 2.084 10 30 AEEERN Cc1ccc2c(ccn2C[C@@H]2CO2)c1 70453489 343488231 /nfs/dbraw/zinc/48/82/31/343488231.db2.gz CVMHIQWYLHHOGV-LLVKDONJSA-N 0 0 187.242 2.349 10 30 AEEERN Cc1ccc2c(ccn2C[C@H]2CO2)c1 70453490 343488238 /nfs/dbraw/zinc/48/82/38/343488238.db2.gz CVMHIQWYLHHOGV-NSHDSACASA-N 0 0 187.242 2.349 10 30 AEEERN Cc1cccc2ccn(C[C@@H]3CO3)c12 70453485 343488246 /nfs/dbraw/zinc/48/82/46/343488246.db2.gz HPGBUMGWRPPXEL-LLVKDONJSA-N 0 0 187.242 2.349 10 30 AEEERN C#CC(C)(C)Nc1ccccc1C#N 70531645 343488510 /nfs/dbraw/zinc/48/85/10/343488510.db2.gz YGWYSNNJLHBTTH-UHFFFAOYSA-N 0 0 184.242 2.382 10 30 AEEERN C#CCCNc1ccc(F)cc1C#N 70534818 343489635 /nfs/dbraw/zinc/48/96/35/343489635.db2.gz IHGQKLPVMVJAOE-UHFFFAOYSA-N 0 0 188.205 2.133 10 30 AEEERN C#CCN[C@@]1(C#N)CCC[C@H](CC)C1 70563258 343491689 /nfs/dbraw/zinc/49/16/89/343491689.db2.gz RGKGYGOTOVCXFX-RYUDHWBXSA-N 0 0 190.290 2.072 10 30 AEEERN C#CCN[C@@]1(C#N)CCC[C@@H](CC)C1 70563257 343491712 /nfs/dbraw/zinc/49/17/12/343491712.db2.gz RGKGYGOTOVCXFX-NEPJUHHUSA-N 0 0 190.290 2.072 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)(NC)C1 70563181 343491719 /nfs/dbraw/zinc/49/17/19/343491719.db2.gz GSTDPCZWFAWELU-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)(NC)C1 70563179 343491725 /nfs/dbraw/zinc/49/17/25/343491725.db2.gz GSTDPCZWFAWELU-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN C#CCN[C@]1(C#N)CCC[C@@H](CC)C1 70563255 343491822 /nfs/dbraw/zinc/49/18/22/343491822.db2.gz RGKGYGOTOVCXFX-VXGBXAGGSA-N 0 0 190.290 2.072 10 30 AEEERN CC[C@H]1CCC[C@](C#N)(NC)C1 70563182 343491873 /nfs/dbraw/zinc/49/18/73/343491873.db2.gz GSTDPCZWFAWELU-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@H]1CCC[C@@](C#N)(NC)C1 70563180 343491905 /nfs/dbraw/zinc/49/19/05/343491905.db2.gz GSTDPCZWFAWELU-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN C#CCN[C@]1(C#N)CCC[C@H](CC)C1 70563256 343491981 /nfs/dbraw/zinc/49/19/81/343491981.db2.gz RGKGYGOTOVCXFX-NWDGAFQWSA-N 0 0 190.290 2.072 10 30 AEEERN CC[C@H]1CCC[C@@]2(CO2)C1 70563911 343492352 /nfs/dbraw/zinc/49/23/52/343492352.db2.gz AEFGEGDEDLFQRX-IUCAKERBSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@H]1CCC[C@@H](OCC#N)C1 70564461 343492366 /nfs/dbraw/zinc/49/23/66/343492366.db2.gz BTDLTLCXNBIJJK-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@H]1CCC[C@@](C#N)(N(C)C)C1 70563675 343492372 /nfs/dbraw/zinc/49/23/72/343492372.db2.gz VYFPQUOBLUMTCB-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H]1CCC[C@H](OCC#N)C1 70564459 343492383 /nfs/dbraw/zinc/49/23/83/343492383.db2.gz BTDLTLCXNBIJJK-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@@H]1CCC[C@]2(CO2)C1 70563908 343492385 /nfs/dbraw/zinc/49/23/85/343492385.db2.gz AEFGEGDEDLFQRX-RKDXNWHRSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@H]1CCC[C@]2(CO2)C1 70563909 343492388 /nfs/dbraw/zinc/49/23/88/343492388.db2.gz AEFGEGDEDLFQRX-DTWKUNHWSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@@H]1CCC[C@@](C#N)(N(C)C)C1 70563674 343492392 /nfs/dbraw/zinc/49/23/92/343492392.db2.gz VYFPQUOBLUMTCB-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H]1CCC[C@@H](CC=O)C1 70567368 343493220 /nfs/dbraw/zinc/49/32/20/343493220.db2.gz FDFXFDOGIPUNLW-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@@H]1CCC[C@H](CC=O)C1 70567366 343493282 /nfs/dbraw/zinc/49/32/82/343493282.db2.gz FDFXFDOGIPUNLW-RKDXNWHRSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@H]1CCC[C@H](CC=O)C1 70567367 343493294 /nfs/dbraw/zinc/49/32/94/343493294.db2.gz FDFXFDOGIPUNLW-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@H]1CCC[C@@H](CC=O)C1 70567369 343493322 /nfs/dbraw/zinc/49/33/22/343493322.db2.gz FDFXFDOGIPUNLW-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN CCN[C@]1(C#N)CCCC[C@@H]1CC 70568441 343493708 /nfs/dbraw/zinc/49/37/08/343493708.db2.gz DLLGLSRVLXGUEU-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@]1(C#N)CCCC[C@H]1CC 70568440 343493730 /nfs/dbraw/zinc/49/37/30/343493730.db2.gz DLLGLSRVLXGUEU-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H]1CCCC[C@]1(C#N)NC 70568438 343493749 /nfs/dbraw/zinc/49/37/49/343493749.db2.gz AMKTYBKSIDDQFA-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(C#N)NC 70568436 343493754 /nfs/dbraw/zinc/49/37/54/343493754.db2.gz AMKTYBKSIDDQFA-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@H]1CCCC[C@@]1(C#N)NC 70568437 343493771 /nfs/dbraw/zinc/49/37/71/343493771.db2.gz AMKTYBKSIDDQFA-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@@]1(C#N)CCCC[C@@H]1CC 70568443 343493783 /nfs/dbraw/zinc/49/37/83/343493783.db2.gz DLLGLSRVLXGUEU-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@@]1(C#N)CCCC[C@H]1CC 70568442 343493802 /nfs/dbraw/zinc/49/38/02/343493802.db2.gz DLLGLSRVLXGUEU-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@H]1CCCC[C@]1(C#N)NC 70568439 343493885 /nfs/dbraw/zinc/49/38/85/343493885.db2.gz AMKTYBKSIDDQFA-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H]1CCCC[C@]1(C#N)N(C)C 70568880 343493964 /nfs/dbraw/zinc/49/39/64/343493964.db2.gz VKEGAOUWQAIZRT-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C#CC[C@]1(O)CCCC[C@H]1CC 70568694 343493978 /nfs/dbraw/zinc/49/39/78/343493978.db2.gz HXGOMOSOMRVXTH-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(C#N)N(C)C 70568878 343493999 /nfs/dbraw/zinc/49/39/99/343493999.db2.gz VKEGAOUWQAIZRT-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN C#CC[C@]1(O)CCCC[C@@H]1CC 70568695 343494026 /nfs/dbraw/zinc/49/40/26/343494026.db2.gz HXGOMOSOMRVXTH-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@H]1CCCC[C@]1(C#N)N(C)C 70568881 343494043 /nfs/dbraw/zinc/49/40/43/343494043.db2.gz VKEGAOUWQAIZRT-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H]1CCCC[C@@]12CO2 70569090 343494053 /nfs/dbraw/zinc/49/40/53/343494053.db2.gz QTPYDMIYSVOJOO-RKDXNWHRSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@H]1CCCC[C@@]12CO2 70569091 343494081 /nfs/dbraw/zinc/49/40/81/343494081.db2.gz QTPYDMIYSVOJOO-DTWKUNHWSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@H]1CCCC[C@@]1(C#N)N(C)C 70568879 343494089 /nfs/dbraw/zinc/49/40/89/343494089.db2.gz VKEGAOUWQAIZRT-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H]1CCCC[C@]12CO2 70569092 343494228 /nfs/dbraw/zinc/49/42/28/343494228.db2.gz QTPYDMIYSVOJOO-BDAKNGLRSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@H]1CCCC[C@]12CO2 70569093 343494234 /nfs/dbraw/zinc/49/42/34/343494234.db2.gz QTPYDMIYSVOJOO-IUCAKERBSA-N 0 0 140.226 2.356 10 30 AEEERN C#CC[C@@]1(O)CCCC[C@@H]1CC 70568693 343494237 /nfs/dbraw/zinc/49/42/37/343494237.db2.gz HXGOMOSOMRVXTH-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN C#CC[C@@]1(O)CCCC[C@H]1CC 70568692 343494246 /nfs/dbraw/zinc/49/42/46/343494246.db2.gz HXGOMOSOMRVXTH-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC(C)CSc1cnc(C#N)cn1 70581799 343495245 /nfs/dbraw/zinc/49/52/45/343495245.db2.gz XWFCHRZNTJXNAJ-UHFFFAOYSA-N 0 0 193.275 2.096 10 30 AEEERN CC(C)(C)Sc1cnc(C#N)cn1 70581796 343495297 /nfs/dbraw/zinc/49/52/97/343495297.db2.gz QHJJBJUGESAJHS-UHFFFAOYSA-N 0 0 193.275 2.239 10 30 AEEERN CC[C@H](C)Sc1cnc(C#N)cn1 70581794 343495407 /nfs/dbraw/zinc/49/54/07/343495407.db2.gz LNHCOSDCHPASGG-ZETCQYMHSA-N 0 0 193.275 2.239 10 30 AEEERN CC[C@@H](C)Sc1cnc(C#N)cn1 70581793 343495536 /nfs/dbraw/zinc/49/55/36/343495536.db2.gz LNHCOSDCHPASGG-SSDOTTSWSA-N 0 0 193.275 2.239 10 30 AEEERN CC(=O)/C=C/c1csc(C)n1 70586452 343497071 /nfs/dbraw/zinc/49/70/71/343497071.db2.gz YAULAVNMAPZQST-ONEGZZNKSA-N 0 0 167.233 2.054 10 30 AEEERN CC(=O)/C=C/c1cc(C)n(C)c1C 70586426 343497084 /nfs/dbraw/zinc/49/70/84/343497084.db2.gz HQQZBIZGUNBSPE-AATRIKPKSA-N 0 0 177.247 2.244 10 30 AEEERN C[C@H](C#N)Sc1cc(N)cc(F)c1 70588936 343498415 /nfs/dbraw/zinc/49/84/15/343498415.db2.gz UDJMLLIEZLTBRF-ZCFIWIBFSA-N 0 0 196.250 2.412 10 30 AEEERN C#CCSc1cc(N)cc(F)c1 70588871 343498420 /nfs/dbraw/zinc/49/84/20/343498420.db2.gz NUPLTEMOEQCLJF-UHFFFAOYSA-N 0 0 181.235 2.133 10 30 AEEERN C[C@@H](C#N)Sc1cc(N)cc(F)c1 70588935 343498630 /nfs/dbraw/zinc/49/86/30/343498630.db2.gz UDJMLLIEZLTBRF-LURJTMIESA-N 0 0 196.250 2.412 10 30 AEEERN N#CCSc1cc(N)cc(F)c1 70588872 343498597 /nfs/dbraw/zinc/49/85/97/343498597.db2.gz PTHVCLLBPOYPHX-UHFFFAOYSA-N 0 0 182.223 2.024 10 30 AEEERN C=CCCCC[C@H](C)O 70595318 343500359 /nfs/dbraw/zinc/50/03/59/343500359.db2.gz HSHUHVOEMVTVRS-QMMMGPOBSA-N 0 0 128.215 2.114 10 30 endogenous,in-man AEEERN C=CCCCn1nc(C)cc1C 70595688 343500495 /nfs/dbraw/zinc/50/04/95/343500495.db2.gz IBNGAVHDFGKGFR-UHFFFAOYSA-N 0 0 164.252 2.466 10 30 AEEERN Cc1nc(N)sc1SCCC#N 70601867 343501094 /nfs/dbraw/zinc/50/10/94/343501094.db2.gz AIUKNHQYRFBMMB-UHFFFAOYSA-N 0 0 199.304 2.040 10 30 AEEERN C=CCCc1cc(Cl)cnc1N 70595784 343500808 /nfs/dbraw/zinc/50/08/08/343500808.db2.gz OHOHSCAODVXFAF-UHFFFAOYSA-N 0 0 182.654 2.436 10 30 AEEERN C#CCCN1CCC(=O)c2ccccc21 70601256 343501039 /nfs/dbraw/zinc/50/10/39/343501039.db2.gz YAZLZPQHZSTDOA-UHFFFAOYSA-N 0 0 199.253 2.103 10 30 AEEERN N#CCCSc1ccc(N)cc1F 70601876 343501111 /nfs/dbraw/zinc/50/11/11/343501111.db2.gz YUKZDHBOOYKKRM-UHFFFAOYSA-N 0 0 196.250 2.414 10 30 AEEERN CNc1nc2ccccc2cc1C#N 70601795 343501114 /nfs/dbraw/zinc/50/11/14/343501114.db2.gz RMQRPQSQHHEEOV-UHFFFAOYSA-N 0 0 183.214 2.148 10 30 AEEERN CC#CCN1CCC(=O)c2ccccc21 70601224 343501175 /nfs/dbraw/zinc/50/11/75/343501175.db2.gz IADLXQTWZBHKMW-UHFFFAOYSA-N 0 0 199.253 2.103 10 30 AEEERN N#CCNCc1ccc(Cl)s1 70600120 343501220 /nfs/dbraw/zinc/50/12/20/343501220.db2.gz AZWVXGWYHMJJDX-UHFFFAOYSA-N 0 0 186.667 2.015 10 30 AEEERN N#CCCSc1cc(N)cc(F)c1 70601887 343501236 /nfs/dbraw/zinc/50/12/36/343501236.db2.gz KHGHDSMVRFXTBD-UHFFFAOYSA-N 0 0 196.250 2.414 10 30 AEEERN N#CCCSc1ccc(F)cc1N 70601877 343501501 /nfs/dbraw/zinc/50/15/01/343501501.db2.gz NOIPTCRISICLDJ-UHFFFAOYSA-N 0 0 196.250 2.414 10 30 AEEERN C[C@](N)(C#N)c1ccc(F)cc1Cl 70602602 343501762 /nfs/dbraw/zinc/50/17/62/343501762.db2.gz IQZCKOSGXJVBHG-VIFPVBQESA-N 0 0 198.628 2.177 10 30 AEEERN O=CCSc1ccc(Cl)cn1 70615406 343502841 /nfs/dbraw/zinc/50/28/41/343502841.db2.gz BWLFPXVDUJNMJO-UHFFFAOYSA-N 0 0 187.651 2.026 10 30 AEEERN CC[C@@H]1CCCN([C@@H](C)C#N)CC1 70613473 343502945 /nfs/dbraw/zinc/50/29/45/343502945.db2.gz SLKXXZQFPHBJPE-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN C#CCSc1ncccc1Cl 70615423 343503166 /nfs/dbraw/zinc/50/31/66/343503166.db2.gz GYPGPLJFLQLXLV-UHFFFAOYSA-N 0 0 183.663 2.460 10 30 AEEERN O=CCSc1ncccc1Cl 70615414 343503227 /nfs/dbraw/zinc/50/32/27/343503227.db2.gz UDTYHTNCNDLPLI-UHFFFAOYSA-N 0 0 187.651 2.026 10 30 AEEERN CC[C@H]1CCCN([C@@H](C)C#N)CC1 70613474 343503274 /nfs/dbraw/zinc/50/32/74/343503274.db2.gz SLKXXZQFPHBJPE-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN C#CCSc1ccc([C@@H](C)O)cc1 70621157 343504758 /nfs/dbraw/zinc/50/47/58/343504758.db2.gz RXPVBQIYVVBQNQ-SECBINFHSA-N 0 0 192.283 2.465 10 30 AEEERN C#CCSc1ccc([C@H](C)O)cc1 70621156 343504776 /nfs/dbraw/zinc/50/47/76/343504776.db2.gz RXPVBQIYVVBQNQ-VIFPVBQESA-N 0 0 192.283 2.465 10 30 AEEERN CC1(C)CCC(NCC#N)CC1 70623422 343506130 /nfs/dbraw/zinc/50/61/30/343506130.db2.gz SQWJDSMORXDIDM-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN CNC1(C#N)CCC(C)(C)CC1 70623221 343506373 /nfs/dbraw/zinc/50/63/73/343506373.db2.gz ZTFSIJHQWQPGON-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@@H](C#N)NC1CCC(C)(C)CC1 70623420 343506380 /nfs/dbraw/zinc/50/63/80/343506380.db2.gz ZPSQRTVXUOHYQI-VIFPVBQESA-N 0 0 180.295 2.457 10 30 AEEERN CCNC1(C#N)CCC(C)(C)CC1 70623222 343506397 /nfs/dbraw/zinc/50/63/97/343506397.db2.gz YCMSIOQFKPKTHZ-UHFFFAOYSA-N 0 0 180.295 2.458 10 30 AEEERN C[C@H](C#N)NC1CCC(C)(C)CC1 70623421 343506443 /nfs/dbraw/zinc/50/64/43/343506443.db2.gz ZPSQRTVXUOHYQI-SECBINFHSA-N 0 0 180.295 2.457 10 30 AEEERN CN[C@]1(C#N)CCCC(C)(C)C1 70629096 343508748 /nfs/dbraw/zinc/50/87/48/343508748.db2.gz IDMUAQWVUJESBG-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CN[C@@]1(C#N)CCCC(C)(C)C1 70629097 343508776 /nfs/dbraw/zinc/50/87/76/343508776.db2.gz IDMUAQWVUJESBG-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H](NCCC#N)c1nccs1 70634310 343511209 /nfs/dbraw/zinc/51/12/09/343511209.db2.gz YNJGZGMYRUXNJP-MRVPVSSYSA-N 0 0 195.291 2.097 10 30 AEEERN CC[C@H](NCCC#N)c1nccs1 70634309 343511380 /nfs/dbraw/zinc/51/13/80/343511380.db2.gz YNJGZGMYRUXNJP-QMMMGPOBSA-N 0 0 195.291 2.097 10 30 AEEERN CC(C)N[C@@]1(C#N)CC[C@@H](C)C1 70644572 343515365 /nfs/dbraw/zinc/51/53/65/343515365.db2.gz XOXVLLCMUVJNMH-ZJUUUORDSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)(NC2CC2)C1 70644574 343515369 /nfs/dbraw/zinc/51/53/69/343515369.db2.gz FJBSMDWPZFWZNG-MWLCHTKSSA-N 0 0 178.279 2.211 10 30 AEEERN CCCN[C@]1(C#N)CC[C@@H](C)C1 70644564 343515434 /nfs/dbraw/zinc/51/54/34/343515434.db2.gz XLHYDPPWIADLDK-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)N[C@]1(C#N)CC[C@@H](C)C1 70644570 343515441 /nfs/dbraw/zinc/51/54/41/343515441.db2.gz XOXVLLCMUVJNMH-NXEZZACHSA-N 0 0 166.268 2.067 10 30 AEEERN CCCN[C@@]1(C#N)CC[C@H](C)C1 70644563 343515461 /nfs/dbraw/zinc/51/54/61/343515461.db2.gz XLHYDPPWIADLDK-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CCCN[C@@]1(C#N)CC[C@@H](C)C1 70644565 343515491 /nfs/dbraw/zinc/51/54/91/343515491.db2.gz XLHYDPPWIADLDK-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)N[C@]1(C#N)CC[C@H](C)C1 70644571 343515498 /nfs/dbraw/zinc/51/54/98/343515498.db2.gz XOXVLLCMUVJNMH-VHSXEESVSA-N 0 0 166.268 2.067 10 30 AEEERN CCCN[C@]1(C#N)CC[C@H](C)C1 70644562 343515513 /nfs/dbraw/zinc/51/55/13/343515513.db2.gz XLHYDPPWIADLDK-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)N[C@@]1(C#N)CC[C@H](C)C1 70644573 343515577 /nfs/dbraw/zinc/51/55/77/343515577.db2.gz XOXVLLCMUVJNMH-UWVGGRQHSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(NCC2CC2)C1 70644698 343516067 /nfs/dbraw/zinc/51/60/67/343516067.db2.gz JZXRPGCABDVRHP-MWLCHTKSSA-N 0 0 178.279 2.068 10 30 AEEERN CC[C@@H]1CC[C@](C#N)(NC2CC2)C1 70644576 343516073 /nfs/dbraw/zinc/51/60/73/343516073.db2.gz FJBSMDWPZFWZNG-KOLCDFICSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@H]1CC[C@@](C#N)(NC2CC2)C1 70644575 343516080 /nfs/dbraw/zinc/51/60/80/343516080.db2.gz FJBSMDWPZFWZNG-GXSJLCMTSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@H]1CC[C@](C#N)(NC2CC2)C1 70644577 343516179 /nfs/dbraw/zinc/51/61/79/343516179.db2.gz FJBSMDWPZFWZNG-ONGXEEELSA-N 0 0 178.279 2.211 10 30 AEEERN O=CCCc1ccc(F)c(F)c1F 70651357 343519193 /nfs/dbraw/zinc/51/91/93/343519193.db2.gz QJQMJQUKYWDDQK-UHFFFAOYSA-N 0 0 188.148 2.235 10 30 AEEERN O=CCCc1c(F)cccc1F 70651358 343519444 /nfs/dbraw/zinc/51/94/44/343519444.db2.gz XEHBLZJNYMOGGJ-UHFFFAOYSA-N 0 0 170.158 2.096 10 30 AEEERN C#CCC1(O)CCC(C)(C)CC1 70654557 343520362 /nfs/dbraw/zinc/52/03/62/343520362.db2.gz GRNSQFVZOSJNRW-UHFFFAOYSA-N 0 0 166.264 2.341 10 30 AEEERN CN(C)C1(C#N)CCC(C)(C)CC1 70654645 343520372 /nfs/dbraw/zinc/52/03/72/343520372.db2.gz DUHFAHNJQIPSJJ-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN N#C[C@@H]1CCCN1Cc1cccs1 70662347 343521907 /nfs/dbraw/zinc/52/19/07/343521907.db2.gz NZEBSAMRLULKPS-VIFPVBQESA-N 0 0 192.287 2.236 10 30 AEEERN N#C[C@@H]1CCCN1CC1CCCC1 70662339 343521996 /nfs/dbraw/zinc/52/19/96/343521996.db2.gz SRRFYGGMDVRUCC-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN N#C[C@H]1CCCN1Cc1cccs1 70662346 343522009 /nfs/dbraw/zinc/52/20/09/343522009.db2.gz NZEBSAMRLULKPS-SECBINFHSA-N 0 0 192.287 2.236 10 30 AEEERN CC(C)(C)CCN1CCC[C@H]1C#N 70662398 343522013 /nfs/dbraw/zinc/52/20/13/343522013.db2.gz MTMGHRPZWDZTFL-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)CCN1CCC[C@@H]1C#N 70662397 343522022 /nfs/dbraw/zinc/52/20/22/343522022.db2.gz MTMGHRPZWDZTFL-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN N#C[C@H]1CCCN1C1CCCCC1 70662435 343522232 /nfs/dbraw/zinc/52/22/32/343522232.db2.gz HJCIUBVQLLNUJU-LLVKDONJSA-N 0 0 178.279 2.307 10 30 AEEERN N#C[C@@H]1CCCN1C1CCCCC1 70662436 343522274 /nfs/dbraw/zinc/52/22/74/343522274.db2.gz HJCIUBVQLLNUJU-NSHDSACASA-N 0 0 178.279 2.307 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1c1ccc(F)cc1 70672145 343523286 /nfs/dbraw/zinc/52/32/86/343523286.db2.gz ULPSGTGUQNVDAC-GXSJLCMTSA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1c1ccccc1F 70672071 343523301 /nfs/dbraw/zinc/52/33/01/343523301.db2.gz DNROZPQTSJTRBZ-KWQFWETISA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@H]1CCO[C@H]1c1ccc(F)cc1 70672149 343523360 /nfs/dbraw/zinc/52/33/60/343523360.db2.gz ULPSGTGUQNVDAC-KOLCDFICSA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@@H]1CCO[C@H]1c1ccc(F)cc1 70672147 343523460 /nfs/dbraw/zinc/52/34/60/343523460.db2.gz ULPSGTGUQNVDAC-ONGXEEELSA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@H]1CCO[C@@H]1c1ccccc1F 70672081 343523486 /nfs/dbraw/zinc/52/34/86/343523486.db2.gz DNROZPQTSJTRBZ-KCJUWKMLSA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@H]1CCO[C@@H]1c1ccc(F)cc1 70672148 343523503 /nfs/dbraw/zinc/52/35/03/343523503.db2.gz ULPSGTGUQNVDAC-MWLCHTKSSA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@H]1CCO[C@H]1c1ccccc1F 70672082 343523544 /nfs/dbraw/zinc/52/35/44/343523544.db2.gz DNROZPQTSJTRBZ-LDYMZIIASA-N 0 0 191.205 2.427 10 30 AEEERN N#C[C@@H]1CCO[C@H]1c1ccccc1F 70672077 343523579 /nfs/dbraw/zinc/52/35/79/343523579.db2.gz DNROZPQTSJTRBZ-GZMMTYOYSA-N 0 0 191.205 2.427 10 30 AEEERN C#CC[C@]1(O)CCCC(C)(C)C1 70684225 343524238 /nfs/dbraw/zinc/52/42/38/343524238.db2.gz LNVNVWMZFKTFBL-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C#CC[C@@]1(O)CCCC(C)(C)C1 70684222 343524282 /nfs/dbraw/zinc/52/42/82/343524282.db2.gz LNVNVWMZFKTFBL-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@H](CC#N)n1ccc(C)n1 70685312 343524579 /nfs/dbraw/zinc/52/45/79/343524579.db2.gz ZIKHGNVFCKZWTR-SECBINFHSA-N 0 0 163.224 2.056 10 30 AEEERN Cc1ccn([C@H]2CCCC[C@H]2C#N)n1 70685332 343524600 /nfs/dbraw/zinc/52/46/00/343524600.db2.gz YWMSCVKAVQJGQC-QWRGUYRKSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1ccn([C@H]2CCC[C@@H]2C#N)n1 70685299 343524621 /nfs/dbraw/zinc/52/46/21/343524621.db2.gz XLWUFKIPXQYENN-ZJUUUORDSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1ccn([C@H]2CCC[C@H]2C#N)n1 70685305 343524687 /nfs/dbraw/zinc/52/46/87/343524687.db2.gz XLWUFKIPXQYENN-UWVGGRQHSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1ccn([C@H]2CCCC[C@@H]2C#N)n1 70685325 343524706 /nfs/dbraw/zinc/52/47/06/343524706.db2.gz YWMSCVKAVQJGQC-MNOVXSKESA-N 0 0 189.262 2.446 10 30 AEEERN Cc1ccn([C@@H]2CCCC[C@H]2C#N)n1 70685328 343524719 /nfs/dbraw/zinc/52/47/19/343524719.db2.gz YWMSCVKAVQJGQC-WDEREUQCSA-N 0 0 189.262 2.446 10 30 AEEERN Cc1ccn([C@@H]2CCC[C@H]2C#N)n1 70685302 343524728 /nfs/dbraw/zinc/52/47/28/343524728.db2.gz XLWUFKIPXQYENN-VHSXEESVSA-N 0 0 175.235 2.056 10 30 AEEERN CC[C@@H](CC#N)n1ccc(C)n1 70685310 343524816 /nfs/dbraw/zinc/52/48/16/343524816.db2.gz ZIKHGNVFCKZWTR-VIFPVBQESA-N 0 0 163.224 2.056 10 30 AEEERN Cc1ccn([C@@H]2CCC[C@@H]2C#N)n1 70685297 343524820 /nfs/dbraw/zinc/52/48/20/343524820.db2.gz XLWUFKIPXQYENN-NXEZZACHSA-N 0 0 175.235 2.056 10 30 AEEERN Cc1nn([C@@H](C)CC#N)cc1Cl 70689319 343525540 /nfs/dbraw/zinc/52/55/40/343525540.db2.gz WTYCYQLDYYQPFM-LURJTMIESA-N 0 0 183.642 2.320 10 30 AEEERN Cc1c(Cl)cnn1C[C@@H](C)C#N 70689325 343525592 /nfs/dbraw/zinc/52/55/92/343525592.db2.gz XKGVKWJRCCGATF-LURJTMIESA-N 0 0 183.642 2.005 10 30 AEEERN Cc1c(Cl)cnn1C[C@H](C)C#N 70689327 343525627 /nfs/dbraw/zinc/52/56/27/343525627.db2.gz XKGVKWJRCCGATF-ZCFIWIBFSA-N 0 0 183.642 2.005 10 30 AEEERN Cc1c(Cl)cnn1CCCC#N 70689329 343525667 /nfs/dbraw/zinc/52/56/67/343525667.db2.gz AXDNAOSHZNASNL-UHFFFAOYSA-N 0 0 183.642 2.149 10 30 AEEERN Cc1nn([C@H](C)CC#N)cc1Cl 70689321 343525686 /nfs/dbraw/zinc/52/56/86/343525686.db2.gz WTYCYQLDYYQPFM-ZCFIWIBFSA-N 0 0 183.642 2.320 10 30 AEEERN C#CCC[C@H]1CCCC(=O)C1 70737562 343527140 /nfs/dbraw/zinc/52/71/40/343527140.db2.gz COGVFNDOYACQEG-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN CC#CC[C@H]1CCCC(=O)C1 70737859 343527165 /nfs/dbraw/zinc/52/71/65/343527165.db2.gz VPDJNFHQMYLYEP-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN C#CCC[C@@H]1CCCC(=O)C1 70737560 343527318 /nfs/dbraw/zinc/52/73/18/343527318.db2.gz COGVFNDOYACQEG-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN CC#CC[C@@H]1CCCC(=O)C1 70737858 343527368 /nfs/dbraw/zinc/52/73/68/343527368.db2.gz VPDJNFHQMYLYEP-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN O=CCCCc1cccc(F)c1 70738851 343527591 /nfs/dbraw/zinc/52/75/91/343527591.db2.gz XKTYDSVJAIQAPJ-UHFFFAOYSA-N 0 0 166.195 2.347 10 30 AEEERN Cc1cc(CCC=O)ccc1F 70738855 343527594 /nfs/dbraw/zinc/52/75/94/343527594.db2.gz NVESPSHNQWVJRK-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN Cc1ccc(F)cc1CCC=O 70738910 343527662 /nfs/dbraw/zinc/52/76/62/343527662.db2.gz WLZHKDNCRZIDBO-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN Cc1cccc(CCC=O)c1C 70738961 343527719 /nfs/dbraw/zinc/52/77/19/343527719.db2.gz MWUTUZKGQMRANN-UHFFFAOYSA-N 0 0 162.232 2.435 10 30 AEEERN O=CCCc1cccc2cnccc12 70738935 343527760 /nfs/dbraw/zinc/52/77/60/343527760.db2.gz COUXWTUDXMJXBM-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN Cc1ccc(F)c(CCC=O)c1 70739020 343528113 /nfs/dbraw/zinc/52/81/13/343528113.db2.gz HPIPIOJDONVWCZ-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN C#CC[C@H]1CCCCC(=O)C1 70740169 343528130 /nfs/dbraw/zinc/52/81/30/343528130.db2.gz FSNDSHHYSSUTLK-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN Cc1cc(F)ccc1CCC=O 70739017 343528188 /nfs/dbraw/zinc/52/81/88/343528188.db2.gz HZCXSHODGRWWOC-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN CC[C@H]1CC[C@@](C#N)(N(C)C)C1 70766185 343529392 /nfs/dbraw/zinc/52/93/92/343529392.db2.gz IDROIPOYNQQMGN-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H]1CC[C@](C#N)(N(C)C)C1 70766192 343529407 /nfs/dbraw/zinc/52/94/07/343529407.db2.gz IDROIPOYNQQMGN-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H]1CC[C@](C#N)(N(C)C)C1 70766188 343529586 /nfs/dbraw/zinc/52/95/86/343529586.db2.gz IDROIPOYNQQMGN-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)(N(C)C)C1 70766183 343529692 /nfs/dbraw/zinc/52/96/92/343529692.db2.gz IDROIPOYNQQMGN-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H]1CC[C@H](C#N)C1 70767486 343529836 /nfs/dbraw/zinc/52/98/36/343529836.db2.gz VIELWTVBFWPBAL-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@H]1CC[C@@](Cl)(C#N)C1 70766635 343529858 /nfs/dbraw/zinc/52/98/58/343529858.db2.gz TXXODFABUCKHPQ-BQBZGAKWSA-N 0 0 143.617 2.308 10 30 AEEERN C[C@@H]1CC[C@@]2(CC(=O)C=CO2)C1 70767224 343529890 /nfs/dbraw/zinc/52/98/90/343529890.db2.gz FKKQVLPKHVUGRL-SCZZXKLOSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H]1CC[C@]2(CC(=O)C=CO2)C1 70767218 343529912 /nfs/dbraw/zinc/52/99/12/343529912.db2.gz FKKQVLPKHVUGRL-PSASIEDQSA-N 0 0 166.220 2.048 10 30 AEEERN CC[C@@H]1CC[C@@]2(CC(=O)C=CO2)C1 70767235 343529928 /nfs/dbraw/zinc/52/99/28/343529928.db2.gz NBEZAVRZXYKZIV-KOLCDFICSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@@H]1CC[C@]2(CC(=O)C=CO2)C1 70767230 343529941 /nfs/dbraw/zinc/52/99/41/343529941.db2.gz NBEZAVRZXYKZIV-MWLCHTKSSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@H]1CC[C@@]2(CC(=O)C=CO2)C1 70767227 343529950 /nfs/dbraw/zinc/52/99/50/343529950.db2.gz FKKQVLPKHVUGRL-WPRPVWTQSA-N 0 0 166.220 2.048 10 30 AEEERN CC[C@H]1CC[C@]2(CC(=O)C=CO2)C1 70767232 343529981 /nfs/dbraw/zinc/52/99/81/343529981.db2.gz NBEZAVRZXYKZIV-GXSJLCMTSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@@H]1CC[C@@](Cl)(C#N)C1 70766630 343529991 /nfs/dbraw/zinc/52/99/91/343529991.db2.gz TXXODFABUCKHPQ-RQJHMYQMSA-N 0 0 143.617 2.308 10 30 AEEERN C[C@H]1CC[C@](Cl)(C#N)C1 70766628 343530001 /nfs/dbraw/zinc/53/00/01/343530001.db2.gz TXXODFABUCKHPQ-NKWVEPMBSA-N 0 0 143.617 2.308 10 30 AEEERN CC[C@H]1CC[C@@H](C#N)C1 70767492 343530018 /nfs/dbraw/zinc/53/00/18/343530018.db2.gz VIELWTVBFWPBAL-JGVFFNPUSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@@H]1CC[C@@H](C#N)C1 70767488 343530033 /nfs/dbraw/zinc/53/00/33/343530033.db2.gz VIELWTVBFWPBAL-HTQZYQBOSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@H]1CC[C@]2(CC(=O)C=CO2)C1 70767221 343530044 /nfs/dbraw/zinc/53/00/44/343530044.db2.gz FKKQVLPKHVUGRL-WCBMZHEXSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H]1CC[C@](Cl)(C#N)C1 70766622 343530047 /nfs/dbraw/zinc/53/00/47/343530047.db2.gz TXXODFABUCKHPQ-RNFRBKRXSA-N 0 0 143.617 2.308 10 30 AEEERN CC[C@H]1CC[C@@]2(CC(=O)C=CO2)C1 70767238 343530061 /nfs/dbraw/zinc/53/00/61/343530061.db2.gz NBEZAVRZXYKZIV-ONGXEEELSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@@H]1CC[C@H](C#N)C1 70767484 343530074 /nfs/dbraw/zinc/53/00/74/343530074.db2.gz VIELWTVBFWPBAL-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN CC#CC[C@H]1CCCC[C@@H](O)C1 70775556 343531615 /nfs/dbraw/zinc/53/16/15/343531615.db2.gz FWYOVPCUCHNQAF-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@@H]1CCCC[C@@H](O)C1 70775553 343531618 /nfs/dbraw/zinc/53/16/18/343531618.db2.gz FWYOVPCUCHNQAF-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@H]1CCCC[C@H](O)C1 70775552 343531791 /nfs/dbraw/zinc/53/17/91/343531791.db2.gz FWYOVPCUCHNQAF-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@@H]1CCCC[C@H](O)C1 70775550 343531852 /nfs/dbraw/zinc/53/18/52/343531852.db2.gz FWYOVPCUCHNQAF-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC1(C)Cc2cccc(C#N)c2O1 70800042 343532372 /nfs/dbraw/zinc/53/23/72/343532372.db2.gz ZFOYCSUNNDBDTL-UHFFFAOYSA-N 0 0 173.215 2.272 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC[C@@H]1C 70829734 343534277 /nfs/dbraw/zinc/53/42/77/343534277.db2.gz WKOUKILGKNDWHK-AEJSXWLSSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCC[C@@H]1C 70829722 343534508 /nfs/dbraw/zinc/53/45/08/343534508.db2.gz WKOUKILGKNDWHK-IVZWLZJFSA-N 0 0 166.268 2.067 10 30 AEEERN Cc1ccc(O[C@H](C)C#N)c(C=O)c1 70955469 343544400 /nfs/dbraw/zinc/54/44/00/343544400.db2.gz OXALIEYVKRFGGU-SECBINFHSA-N 0 0 189.214 2.098 10 30 AEEERN Cc1ccc(O[C@@H](C)C#N)c(C=O)c1 70955462 343544476 /nfs/dbraw/zinc/54/44/76/343544476.db2.gz OXALIEYVKRFGGU-VIFPVBQESA-N 0 0 189.214 2.098 10 30 AEEERN C=C(C)CCC(=O)C1CC1 71002923 343547616 /nfs/dbraw/zinc/54/76/16/343547616.db2.gz ZVMAPWPMQWYXIP-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C[C@@H](C)CC(=O)C1CC1 71002867 343547820 /nfs/dbraw/zinc/54/78/20/343547820.db2.gz XGBOMJHXCLJQAF-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@H](C)CC(=O)C1CC1 71002869 343547949 /nfs/dbraw/zinc/54/79/49/343547949.db2.gz XGBOMJHXCLJQAF-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1cnc(Nc2ccccc2)cn1 71178628 343550650 /nfs/dbraw/zinc/55/06/50/343550650.db2.gz XSIJAUCFDGEULP-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN Cc1nc(C)c(CCC#N)s1 71484819 343553558 /nfs/dbraw/zinc/55/35/58/343553558.db2.gz GFPFEAJCNYNPKW-UHFFFAOYSA-N 0 0 166.249 2.216 10 30 AEEERN N#Cc1cc(F)ccc1NC1CC1 71496985 343554397 /nfs/dbraw/zinc/55/43/97/343554397.db2.gz XBFBISYRWAZODJ-UHFFFAOYSA-N 0 0 176.194 2.272 10 30 AEEERN C=CCNc1ccc(F)cc1C#N 71496987 343554421 /nfs/dbraw/zinc/55/44/21/343554421.db2.gz LWVSDTLBRXBMMZ-UHFFFAOYSA-N 0 0 176.194 2.295 10 30 AEEERN CCc1ccc([C@H](N)CC#N)cc1 71496850 343554649 /nfs/dbraw/zinc/55/46/49/343554649.db2.gz KHNOQLMQMINSHL-LLVKDONJSA-N 0 0 174.247 2.162 10 30 AEEERN CCc1ccc([C@@H](N)CC#N)cc1 71496851 343554675 /nfs/dbraw/zinc/55/46/75/343554675.db2.gz KHNOQLMQMINSHL-NSHDSACASA-N 0 0 174.247 2.162 10 30 AEEERN N#Cc1nccc2c([N+](=O)[O-])cccc12 72194629 343560495 /nfs/dbraw/zinc/56/04/95/343560495.db2.gz CXMWANYGFSNUEC-UHFFFAOYSA-N 0 0 199.169 2.015 10 30 AEEERN CC(C)c1ncc(C#N)c(Cl)n1 72204521 343562059 /nfs/dbraw/zinc/56/20/59/343562059.db2.gz BHMAQPVQHUQMKX-UHFFFAOYSA-N 0 0 181.626 2.125 10 30 AEEERN N#CCC(=O)c1cc2ccccc2[nH]1 74283961 343572270 /nfs/dbraw/zinc/57/22/70/343572270.db2.gz LQEUUJZMVCLJKU-UHFFFAOYSA-N 0 0 184.198 2.264 10 30 AEEERN COc1ccc(C#N)c2ccoc12 75085615 343575472 /nfs/dbraw/zinc/57/54/72/343575472.db2.gz SHRGWKRJXIQHND-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN CCCc1nnc(SCCC#N)o1 75321721 343576538 /nfs/dbraw/zinc/57/65/38/343576538.db2.gz CPWDKEALWNCUNZ-UHFFFAOYSA-N 0 0 197.263 2.028 10 30 AEEERN CC/C=C\CCCC=O 75522172 343577411 /nfs/dbraw/zinc/57/74/11/343577411.db2.gz ZUSUVEKHEZURSD-ARJAWSKDSA-N 0 0 126.199 2.322 10 30 AEEERN CCCCCCC[C@@H]1O[C@H]1CO 79030726 343586610 /nfs/dbraw/zinc/58/66/10/343586610.db2.gz MZPZDPXPQAQGJD-UWVGGRQHSA-N 0 0 172.268 2.107 10 30 AEEERN C=C[C@@H](C)/C=C\C 80027449 343590189 /nfs/dbraw/zinc/59/01/89/343590189.db2.gz SFTGRPFSYZGXQW-FXXDRWHHSA-N 0 0 96.173 2.385 10 30 AEEERN C=C[C@H](C)/C=C\C 80027441 343590328 /nfs/dbraw/zinc/59/03/28/343590328.db2.gz SFTGRPFSYZGXQW-NGAMADIESA-N 0 0 96.173 2.385 10 30 AEEERN C=C[C@H](C)CCCCCO 79979200 343590435 /nfs/dbraw/zinc/59/04/35/343590435.db2.gz PSMYVXFLNIFZND-VIFPVBQESA-N 0 0 142.242 2.361 10 30 AEEERN CCCCNc1cccc(C#N)n1 80116558 343590906 /nfs/dbraw/zinc/59/09/06/343590906.db2.gz GSBPWKYVHPUQPX-UHFFFAOYSA-N 0 0 175.235 2.165 10 30 AEEERN CCN(CC)OC(=O)c1ccccc1 80642608 343592074 /nfs/dbraw/zinc/59/20/74/343592074.db2.gz AYYJECWLTWIDMJ-UHFFFAOYSA-N 0 0 193.246 2.100 10 30 AEEERN CC(C)(C)Oc1cccc(C#N)n1 81621067 343594179 /nfs/dbraw/zinc/59/41/79/343594179.db2.gz MRQPVKQJEAPVRH-UHFFFAOYSA-N 0 0 176.219 2.131 10 30 AEEERN CCc1ccc(C#N)cc1C 82409073 343602521 /nfs/dbraw/zinc/60/25/21/343602521.db2.gz MPYINAFCBDXWTC-UHFFFAOYSA-N 0 0 145.205 2.429 10 30 AEEERN N#CCCCC[S@](=O)C1CCCC1 82599864 343607922 /nfs/dbraw/zinc/60/79/22/343607922.db2.gz BXURAMSCWAAALS-CYBMUJFWSA-N 0 0 199.319 2.372 10 30 AEEERN N#CCCCC[S@@](=O)C1CCCC1 82599865 343608121 /nfs/dbraw/zinc/60/81/21/343608121.db2.gz BXURAMSCWAAALS-ZDUSSCGKSA-N 0 0 199.319 2.372 10 30 AEEERN CCSCc1ccnc(C#N)c1 82668871 343609759 /nfs/dbraw/zinc/60/97/59/343609759.db2.gz PXDHYBIWJGIXJT-UHFFFAOYSA-N 0 0 178.260 2.206 10 30 AEEERN N#CC1(c2cccnc2)CCC1 82703769 343610704 /nfs/dbraw/zinc/61/07/04/343610704.db2.gz DQZLHOIGWFEGRT-UHFFFAOYSA-N 0 0 158.204 2.027 10 30 AEEERN N#CCCC[S@](=O)c1ccccc1 82788118 343612413 /nfs/dbraw/zinc/61/24/13/343612413.db2.gz GLWJSADXOLJMIN-CYBMUJFWSA-N 0 0 193.271 2.098 10 30 AEEERN N#CCCC[S@@](=O)c1ccccc1 82788120 343612512 /nfs/dbraw/zinc/61/25/12/343612512.db2.gz GLWJSADXOLJMIN-ZDUSSCGKSA-N 0 0 193.271 2.098 10 30 AEEERN N#CCCC[S@](=O)c1cccs1 82788850 343612583 /nfs/dbraw/zinc/61/25/83/343612583.db2.gz GEVGWRIHNWRGQH-GFCCVEGCSA-N 0 0 199.300 2.159 10 30 AEEERN N#CCCC[S@@](=O)c1cccs1 82788854 343612619 /nfs/dbraw/zinc/61/26/19/343612619.db2.gz GEVGWRIHNWRGQH-LBPRGKRZSA-N 0 0 199.300 2.159 10 30 AEEERN N#Cc1cc2[nH]ccc2s1 83268072 343617906 /nfs/dbraw/zinc/61/79/06/343617906.db2.gz ATZGTZJZOUHYSP-UHFFFAOYSA-N 0 0 148.190 2.101 10 30 AEEERN N#Cc1nsc(Cl)c1Cl 83273021 343618106 /nfs/dbraw/zinc/61/81/06/343618106.db2.gz PIUHKOXJYRSVNO-UHFFFAOYSA-N 0 0 179.031 2.322 10 30 AEEERN CCN(CC#N)CCCC(C)(C)C#N 83641207 343622341 /nfs/dbraw/zinc/62/23/41/343622341.db2.gz HDPBBFBWFOMGIH-UHFFFAOYSA-N 0 0 193.294 2.162 10 30 AEEERN C=C[C@H](O)c1cccc(F)c1 83813492 343624497 /nfs/dbraw/zinc/62/44/97/343624497.db2.gz PXCYJOCWOIQBIT-VIFPVBQESA-N 0 0 152.168 2.045 10 30 AEEERN C=C[C@@](C)(O)c1ccccc1OC 83813283 343624562 /nfs/dbraw/zinc/62/45/62/343624562.db2.gz YBNVGKIHROTXQF-LLVKDONJSA-N 0 0 178.231 2.089 10 30 AEEERN C=C[C@](C)(O)c1ccccc1C 83813238 343624623 /nfs/dbraw/zinc/62/46/23/343624623.db2.gz QOTKVGZHOZIRJB-NSHDSACASA-N 0 0 162.232 2.389 10 30 AEEERN C=C[C@@H](O)c1ccccc1C 83813527 343624625 /nfs/dbraw/zinc/62/46/25/343624625.db2.gz OPCZQNWWXIQJJQ-SNVBAGLBSA-N 0 0 148.205 2.214 10 30 AEEERN C=C[C@](C)(O)c1ccccc1OC 83813284 343624678 /nfs/dbraw/zinc/62/46/78/343624678.db2.gz YBNVGKIHROTXQF-NSHDSACASA-N 0 0 178.231 2.089 10 30 AEEERN C=C[C@H](O)c1ccccc1C 83813529 343624701 /nfs/dbraw/zinc/62/47/01/343624701.db2.gz OPCZQNWWXIQJJQ-JTQLQIEISA-N 0 0 148.205 2.214 10 30 AEEERN C=C[C@@H](O)c1cccc(F)c1 83813493 343624776 /nfs/dbraw/zinc/62/47/76/343624776.db2.gz PXCYJOCWOIQBIT-SECBINFHSA-N 0 0 152.168 2.045 10 30 AEEERN O=CCCc1ccnc2ccccc12 83951746 343629097 /nfs/dbraw/zinc/62/90/97/343629097.db2.gz SAHOBIBQRTZUGB-UHFFFAOYSA-N 0 0 185.226 2.366 10 30 AEEERN C#C[C@@](C)(O)c1ccccc1Cl 84877224 343637956 /nfs/dbraw/zinc/63/79/56/343637956.db2.gz WOIUHPPQICFTSQ-SNVBAGLBSA-N 0 0 180.634 2.181 10 30 AEEERN CO[C@H](C#N)CCc1ccccc1 85091018 343639429 /nfs/dbraw/zinc/63/94/29/343639429.db2.gz ZAGXUSSBKORSCC-NSHDSACASA-N 0 0 175.231 2.158 10 30 AEEERN C=C(CC)CS[C@@H](C)CCO 85144792 343640397 /nfs/dbraw/zinc/64/03/97/343640397.db2.gz DYOSBQQKJJSIJR-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=C(CC)CS[C@H](C)CCO 85144794 343640506 /nfs/dbraw/zinc/64/05/06/343640506.db2.gz DYOSBQQKJJSIJR-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN C=CCCS[C@@H](C)CCO 85146771 343640692 /nfs/dbraw/zinc/64/06/92/343640692.db2.gz GQUCBCUCFZPVTR-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN C=CCCCS[C@@H](C)CCO 85145509 343640740 /nfs/dbraw/zinc/64/07/40/343640740.db2.gz GBCJBCDYQPBXPA-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=CCCS[C@H](C)CCO 85146774 343640838 /nfs/dbraw/zinc/64/08/38/343640838.db2.gz GQUCBCUCFZPVTR-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN C=CCCCS[C@H](C)CCO 85145512 343640899 /nfs/dbraw/zinc/64/08/99/343640899.db2.gz GBCJBCDYQPBXPA-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN C=C(CC)Cn1cccc1C=O 85580401 343645760 /nfs/dbraw/zinc/64/57/60/343645760.db2.gz PZSIVFPSSSXPAG-UHFFFAOYSA-N 0 0 163.220 2.267 10 30 AEEERN Cc1cc(F)cc(NCCC#N)c1 85730692 343647121 /nfs/dbraw/zinc/64/71/21/343647121.db2.gz CCFBNJFZQRAMGJ-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1ccccc1 85884390 343647560 /nfs/dbraw/zinc/64/75/60/343647560.db2.gz KCNXDVXKPJLPBY-GXSJLCMTSA-N 0 0 175.231 2.270 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1ccccc1 85884383 343647715 /nfs/dbraw/zinc/64/77/15/343647715.db2.gz KCNXDVXKPJLPBY-ONGXEEELSA-N 0 0 175.231 2.270 10 30 AEEERN C=C(C)C[C@H]1CCC(=O)C1 86063519 343649161 /nfs/dbraw/zinc/64/91/61/343649161.db2.gz GPOKINWUDJZDCX-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)[C@@H](O)[C@H]1CC=CCC1 86020203 343649188 /nfs/dbraw/zinc/64/91/88/343649188.db2.gz YLPJSVMWQGZGKB-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CC=CCC1 86020200 343649291 /nfs/dbraw/zinc/64/92/91/343649291.db2.gz YLPJSVMWQGZGKB-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C[C@@H]1CCC(=O)C1 86063517 343649325 /nfs/dbraw/zinc/64/93/25/343649325.db2.gz GPOKINWUDJZDCX-QMMMGPOBSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CC=CCC1 86020205 343649352 /nfs/dbraw/zinc/64/93/52/343649352.db2.gz YLPJSVMWQGZGKB-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)[C@@H](O)[C@@H]1CC=CCC1 86020208 343649379 /nfs/dbraw/zinc/64/93/79/343649379.db2.gz YLPJSVMWQGZGKB-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN Cc1nsc(N[C@H]2C[C@H]2C)c1C#N 86254689 343650960 /nfs/dbraw/zinc/65/09/60/343650960.db2.gz RGPWBJBFXFORAC-XRGYYRRGSA-N 0 0 193.275 2.144 10 30 AEEERN Cc1nsc(N[C@@H]2C[C@H]2C)c1C#N 86254687 343651005 /nfs/dbraw/zinc/65/10/05/343651005.db2.gz RGPWBJBFXFORAC-SVGQVSJJSA-N 0 0 193.275 2.144 10 30 AEEERN Cc1nsc(N[C@H]2C[C@@H]2C)c1C#N 86254686 343651093 /nfs/dbraw/zinc/65/10/93/343651093.db2.gz RGPWBJBFXFORAC-XNCJUZBTSA-N 0 0 193.275 2.144 10 30 AEEERN CC(C)(C)CCn1ccnc1C#N 87343027 343659943 /nfs/dbraw/zinc/65/99/43/343659943.db2.gz NMHBLTHHFHGSOZ-UHFFFAOYSA-N 0 0 177.251 2.191 10 30 AEEERN N#Cc1c(F)cccc1NCCF 87774780 343663868 /nfs/dbraw/zinc/66/38/68/343663868.db2.gz HXYGUEYNYCEFRA-UHFFFAOYSA-N 0 0 182.173 2.079 10 30 AEEERN C=C[C@@]1(O)CCC(C)(C)C1 87773031 343663851 /nfs/dbraw/zinc/66/38/51/343663851.db2.gz ASCYPCBZHXTNAM-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@]1(O)CCC(C)(C)C1 87773032 343664012 /nfs/dbraw/zinc/66/40/12/343664012.db2.gz ASCYPCBZHXTNAM-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C#Cc1cccc(SC(C)=O)c1 90628134 343676384 /nfs/dbraw/zinc/67/63/84/343676384.db2.gz WNSLICIIKFQIIS-UHFFFAOYSA-N 0 0 176.240 2.307 10 30 AEEERN O=C1C=CCC2(CCC2)C1 90648187 343676398 /nfs/dbraw/zinc/67/63/98/343676398.db2.gz WBMWURFLKPUABN-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN C(=N/C1CC1)\c1cccs1 90755434 343676789 /nfs/dbraw/zinc/67/67/89/343676789.db2.gz FLKFPGWMGSAELO-RMKNXTFCSA-N 0 0 151.234 2.329 10 30 AEEERN C=C[C@H](CCO)OCc1ccccc1 90726537 343677060 /nfs/dbraw/zinc/67/70/60/343677060.db2.gz IWPJSIFULQWNGH-GFCCVEGCSA-N 0 0 192.258 2.140 10 30 AEEERN Cc1ccccc1Cn1ccnc1C#N 94728153 343678370 /nfs/dbraw/zinc/67/83/70/343678370.db2.gz LQIQLGVWSXFKLP-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN Cc1cccc(Cn2ccnc2C#N)c1 94728116 343678664 /nfs/dbraw/zinc/67/86/64/343678664.db2.gz RRWRSPAKDFARCO-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN CC(C)n1ccnc1[C@H](C)S 95088201 343680204 /nfs/dbraw/zinc/68/02/04/343680204.db2.gz PHOUEZBUSVOXFH-ZETCQYMHSA-N 0 0 170.281 2.455 10 30 AEEERN C[C@H](S)c1nccn1C1CC1 95089571 343680559 /nfs/dbraw/zinc/68/05/59/343680559.db2.gz JWIWDXINCDFODS-LURJTMIESA-N 0 0 168.265 2.209 10 30 AEEERN N#CC1(c2cnccc2Cl)CC1 95094273 343681197 /nfs/dbraw/zinc/68/11/97/343681197.db2.gz YNFILEWYLIFHTR-UHFFFAOYSA-N 0 0 178.622 2.290 10 30 AEEERN CC(C)[C@@H](O)C#Cc1ccc(F)cc1 95632502 343685056 /nfs/dbraw/zinc/68/50/56/343685056.db2.gz GKCQBNOFJRFDBT-LBPRGKRZSA-N 0 0 192.233 2.194 10 30 AEEERN CC(C)c1cc(O)cc(C#N)c1 95710314 343686065 /nfs/dbraw/zinc/68/60/65/343686065.db2.gz AATYIHYPVZFJBC-UHFFFAOYSA-N 0 0 161.204 2.387 10 30 AEEERN Cc1cccc(C)c1[C@@H](C#N)C=O 95911150 343689047 /nfs/dbraw/zinc/68/90/47/343689047.db2.gz GBHRIWDDGPAJBP-JTQLQIEISA-N 0 0 173.215 2.110 10 30 AEEERN N#Cc1c[nH]c2c(Cl)ccnc12 95919813 343689551 /nfs/dbraw/zinc/68/95/51/343689551.db2.gz GSBHRBNFCHCJAW-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1nc2[nH]ccc2cc1Cl 95919829 343689644 /nfs/dbraw/zinc/68/96/44/343689644.db2.gz YPMGJJMOTMIVKM-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN N#Cc1cnc2c(Cl)c[nH]cc1-2 95919801 343689805 /nfs/dbraw/zinc/68/98/05/343689805.db2.gz SSZORTDUVAUZRP-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN CC#Cc1ccc(C)cc1 95923396 343689988 /nfs/dbraw/zinc/68/99/88/343689988.db2.gz NAYOGGQFBZAZIV-UHFFFAOYSA-N 0 0 130.190 2.366 10 30 AEEERN CC/C=N/c1ccccc1N 95923627 343690093 /nfs/dbraw/zinc/69/00/93/343690093.db2.gz DFTNQMGLBKLTKG-YRNVUSSQSA-N 0 0 148.209 2.381 10 30 AEEERN CN1C=CC(C(=O)c2ccccc2)=CC1 95934318 343691152 /nfs/dbraw/zinc/69/11/52/343691152.db2.gz FIYMWCNNTMTISX-UHFFFAOYSA-N 0 0 199.253 2.255 10 30 AEEERN CC[C@H](C)/C=C\C(C)=O 95933138 343691176 /nfs/dbraw/zinc/69/11/76/343691176.db2.gz QDUQNQQMHZNNTG-RBSILHGTSA-N 0 0 126.199 2.178 10 30 AEEERN Cc1c(F)cc(CCC=O)cc1F 95938100 343691542 /nfs/dbraw/zinc/69/15/42/343691542.db2.gz YJVLBWZGVGNGNE-UHFFFAOYSA-N 0 0 184.185 2.405 10 30 AEEERN Cc1ccc(CCC=O)c(F)c1F 95938078 343691546 /nfs/dbraw/zinc/69/15/46/343691546.db2.gz OEUKAZSLEJYVKO-UHFFFAOYSA-N 0 0 184.185 2.405 10 30 AEEERN Cc1ccc(CCC=O)cc1F 95938102 343691776 /nfs/dbraw/zinc/69/17/76/343691776.db2.gz ORDCIMNPEHUMOL-UHFFFAOYSA-N 0 0 166.195 2.266 10 30 AEEERN C/C=C\C(=O)c1ccccc1OC 96096114 343695023 /nfs/dbraw/zinc/69/50/23/343695023.db2.gz YEXQAYUOFVNWFD-UTCJRWHESA-N 0 0 176.215 2.454 10 30 AEEERN C/C=C\C(=O)c1cccc(OC)c1 96096115 343695156 /nfs/dbraw/zinc/69/51/56/343695156.db2.gz SQSGFJSYSAHXJE-HYXAFXHYSA-N 0 0 176.215 2.454 10 30 AEEERN Cc1cc2c(Cl)cc(C#N)nc2[nH]1 96321083 343696303 /nfs/dbraw/zinc/69/63/03/343696303.db2.gz VACZGRLSVDQWFW-UHFFFAOYSA-N 0 0 191.621 2.396 10 30 AEEERN Cc1cc2cc(Cl)c(C#N)nc2[nH]1 96321102 343696305 /nfs/dbraw/zinc/69/63/05/343696305.db2.gz ROQHVMWQADSVNJ-UHFFFAOYSA-N 0 0 191.621 2.396 10 30 in-vitro AEEERN Cc1cc2c(Cl)c(C#N)cnc2[nH]1 96321055 343696488 /nfs/dbraw/zinc/69/64/88/343696488.db2.gz JGFJXAXGLZYVBP-UHFFFAOYSA-N 0 0 191.621 2.396 10 30 AEEERN C=C[C@H]1C=CCC1 96328746 343696695 /nfs/dbraw/zinc/69/66/95/343696695.db2.gz WBRNPACSUWTMKL-ZETCQYMHSA-N 0 0 94.157 2.139 10 30 AEEERN CCC(=O)/C=C(\C)CC 96327924 343696889 /nfs/dbraw/zinc/69/68/89/343696889.db2.gz XJEHTASYOBAEDB-VOTSOKGWSA-N 0 0 126.199 2.322 10 30 AEEERN C=C[C@@H](NN)c1cccc(Cl)c1 97483995 343701967 /nfs/dbraw/zinc/70/19/67/343701967.db2.gz CDBQPLMFOAQTST-SECBINFHSA-N 0 0 182.654 2.030 10 30 AEEERN C=C[C@H](NN)c1cccc(Cl)c1 97483994 343702022 /nfs/dbraw/zinc/70/20/22/343702022.db2.gz CDBQPLMFOAQTST-VIFPVBQESA-N 0 0 182.654 2.030 10 30 AEEERN CCc1nc(Cl)ccc1C#N 98181130 343706479 /nfs/dbraw/zinc/70/64/79/343706479.db2.gz XXOOADFBVXHURU-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN COc1ccc(C#N)c2c1CCC2 98183814 343707139 /nfs/dbraw/zinc/70/71/39/343707139.db2.gz LVKLLZOTAQCVSV-UHFFFAOYSA-N 0 0 173.215 2.056 10 30 AEEERN CC(O)=CC(=O)c1ccccc1 100069033 343710393 /nfs/dbraw/zinc/71/03/93/343710393.db2.gz MPRZBJONKJDMJV-JXMROGBWSA-N 0 0 162.188 2.175 10 30 AEEERN CCCCCCC[C@H]1O[C@@H]1C=O 100076041 343710590 /nfs/dbraw/zinc/71/05/90/343710590.db2.gz ZAYNCWQGQVRPDV-NXEZZACHSA-N 0 0 170.252 2.313 10 30 AEEERN CCCCCCC[C@@H]1O[C@@H]1C=O 100076045 343710598 /nfs/dbraw/zinc/71/05/98/343710598.db2.gz ZAYNCWQGQVRPDV-VHSXEESVSA-N 0 0 170.252 2.313 10 30 AEEERN CCCCCCC[C@@H]1O[C@H]1C=O 100076038 343710641 /nfs/dbraw/zinc/71/06/41/343710641.db2.gz ZAYNCWQGQVRPDV-UWVGGRQHSA-N 0 0 170.252 2.313 10 30 AEEERN Cc1cccc2c(/C=N\O)c[nH]c12 100110386 343711259 /nfs/dbraw/zinc/71/12/59/343711259.db2.gz LFLOPQANRUOMIH-SDQBBNPISA-N 0 0 174.203 2.284 10 30 AEEERN CCCCCCC[C@H](O)CCCO 100295822 343714765 /nfs/dbraw/zinc/71/47/65/343714765.db2.gz OQDSNPMZDSAHIZ-NSHDSACASA-N 0 0 188.311 2.480 10 30 AEEERN COc1ccccc1C/C(C)=N\O 100291803 343714779 /nfs/dbraw/zinc/71/47/79/343714779.db2.gz GBJMYMLSKUVGCD-FLIBITNWSA-N 0 0 179.219 2.088 10 30 AEEERN CCC/C=N/[S@](=O)C(C)(C)C 100543319 343718606 /nfs/dbraw/zinc/71/86/06/343718606.db2.gz ZBFJREMTWBYHFO-DJYGCBNOSA-N 0 0 175.297 2.320 10 30 in-vitro AEEERN C[C@H](/C=N\O)c1ccccc1 100616098 343718994 /nfs/dbraw/zinc/71/89/94/343718994.db2.gz SETWHVMVMWYJQA-FBHKUJJOSA-N 0 0 149.193 2.250 10 30 AEEERN COc1ccc(C(=O)C=C(C)O)cc1 101002664 343721591 /nfs/dbraw/zinc/72/15/91/343721591.db2.gz SCEHMWFEKYULFN-XFFZJAGNSA-N 0 0 192.214 2.183 10 30 AEEERN N#CCCCCCCS 101230276 343723213 /nfs/dbraw/zinc/72/32/13/343723213.db2.gz AHANAJHZSZEVDU-UHFFFAOYSA-N 0 0 143.255 2.390 10 30 AEEERN CCCC(O)=CC(=O)c1ccccn1 101800954 343725279 /nfs/dbraw/zinc/72/52/79/343725279.db2.gz XLYCQDJRGUWRNK-FLIBITNWSA-N 0 0 191.230 2.350 10 30 AEEERN CC/C(=N/O)c1cccs1 102783017 343726300 /nfs/dbraw/zinc/72/63/00/343726300.db2.gz OMZQGWSYEDCTKB-VURMDHGXSA-N 0 0 155.222 2.336 10 30 AEEERN CC(O)=CC(=O)c1ccc(C)cc1 103674514 343727514 /nfs/dbraw/zinc/72/75/14/343727514.db2.gz YYAATEDVAUSHNO-XFFZJAGNSA-N 0 0 176.215 2.483 10 30 AEEERN N#CC=C(O)C=Cc1ccccc1 104373073 343730979 /nfs/dbraw/zinc/73/09/79/343730979.db2.gz QTIZVCZKVWASSP-VOTSOKGWSA-N 0 0 171.199 2.183 10 30 AEEERN Cc1c(C#N)ccc2c1O[C@@H](C)C2 104458825 343731316 /nfs/dbraw/zinc/73/13/16/343731316.db2.gz GZUHZVBWABPJJC-ZETCQYMHSA-N 0 0 173.215 2.190 10 30 AEEERN C/C=C/C=C/C=C/C(C)=O 104375376 343731573 /nfs/dbraw/zinc/73/15/73/343731573.db2.gz YHVZVLYNHHTMSL-ARQDATDDSA-N 0 0 136.194 2.264 10 30 AEEERN Cc1c(C#N)ccc(C#N)c1C 104391105 343731593 /nfs/dbraw/zinc/73/15/93/343731593.db2.gz ZFJAONKADPJUSU-UHFFFAOYSA-N 0 0 156.188 2.047 10 30 in-vitro AEEERN C#Cc1ccc2c(c1)CC[C@@H](OC)C2 104516179 343731784 /nfs/dbraw/zinc/73/17/84/343731784.db2.gz BENLSCRTPYNECZ-CYBMUJFWSA-N 0 0 186.254 2.172 10 30 AEEERN CCCCCC[C@@H](F)C=O 104467334 343731840 /nfs/dbraw/zinc/73/18/40/343731840.db2.gz FRXSOKYJGPZJBP-MRVPVSSYSA-N 0 0 146.205 2.494 10 30 AEEERN CC(C)(C)[S@](=O)/N=C/c1ccco1 104493979 343731975 /nfs/dbraw/zinc/73/19/75/343731975.db2.gz ASZIYPFMBMZONN-UTSBKAFOSA-N 0 0 199.275 2.161 10 30 AEEERN C#Cc1ccc2c(c1)CC[C@H](OC)C2 104516185 343732042 /nfs/dbraw/zinc/73/20/42/343732042.db2.gz BENLSCRTPYNECZ-ZDUSSCGKSA-N 0 0 186.254 2.172 10 30 AEEERN N#CCc1ccc(Cl)c(O)c1 104470583 343732110 /nfs/dbraw/zinc/73/21/10/343732110.db2.gz AUSPPXLBZOTTKB-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN CCCCCC[C@H](F)C=O 104467330 343732144 /nfs/dbraw/zinc/73/21/44/343732144.db2.gz FRXSOKYJGPZJBP-QMMMGPOBSA-N 0 0 146.205 2.494 10 30 AEEERN Cc1ccc(Cn2cc(C#N)cn2)cc1 104500766 343732147 /nfs/dbraw/zinc/73/21/47/343732147.db2.gz GXDXKZJFBDBMPJ-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN CC(O)=C(C=O)c1ccccc1 105722648 343736988 /nfs/dbraw/zinc/73/69/88/343736988.db2.gz IEKCKXIUVQTQTF-YFHOEESVSA-N 0 0 162.188 2.175 10 30 AEEERN CC(C)Cc1ncc(C#N)c(Cl)n1 106872699 343739009 /nfs/dbraw/zinc/73/90/09/343739009.db2.gz HXBONELPTUTCNE-UHFFFAOYSA-N 0 0 195.653 2.200 10 30 AEEERN N#Cc1[nH]c2ccc(Cl)cc2c1N 107135491 343743739 /nfs/dbraw/zinc/74/37/39/343743739.db2.gz RHEDUYIPLLDRPU-UHFFFAOYSA-N 0 0 191.621 2.275 10 30 AEEERN Cc1cccc([C@@H](C)C=O)c1 107157272 343744983 /nfs/dbraw/zinc/74/49/83/343744983.db2.gz BQOMLDKKNSTBKM-VIFPVBQESA-N 0 0 148.205 2.297 10 30 in-vitro AEEERN Cc1cccc([C@H](C)C=O)c1 107157275 343745000 /nfs/dbraw/zinc/74/50/00/343745000.db2.gz BQOMLDKKNSTBKM-SECBINFHSA-N 0 0 148.205 2.297 10 30 in-vitro AEEERN CO[C@@H](C=O)c1ccc(C)c(C)c1 107166376 343745886 /nfs/dbraw/zinc/74/58/86/343745886.db2.gz RSPKVBHNKQNIDO-NSHDSACASA-N 0 0 178.231 2.190 10 30 AEEERN O=CCCc1c[nH]c2ccccc12 107163963 343745918 /nfs/dbraw/zinc/74/59/18/343745918.db2.gz OBNFCFYSFICKKX-UHFFFAOYSA-N 0 0 173.215 2.299 10 30 in-vitro AEEERN CO[C@@H](C=O)c1ccc(C)cc1C 107166363 343746007 /nfs/dbraw/zinc/74/60/07/343746007.db2.gz PPNNWSGBRZUORX-NSHDSACASA-N 0 0 178.231 2.190 10 30 AEEERN CO[C@H](C=O)c1ccc(C)cc1C 107166361 343746015 /nfs/dbraw/zinc/74/60/15/343746015.db2.gz PPNNWSGBRZUORX-LLVKDONJSA-N 0 0 178.231 2.190 10 30 AEEERN CO[C@H](C=O)c1ccc(C)c(C)c1 107166372 343746026 /nfs/dbraw/zinc/74/60/26/343746026.db2.gz RSPKVBHNKQNIDO-LLVKDONJSA-N 0 0 178.231 2.190 10 30 AEEERN CC[C@H](C=O)Cc1ccc(OC)cc1 107179220 343746967 /nfs/dbraw/zinc/74/69/67/343746967.db2.gz GKWDJTQQSXAWDV-JTQLQIEISA-N 0 0 192.258 2.463 10 30 AEEERN CC[C@@H](C=O)Cc1ccc(OC)cc1 107179223 343746994 /nfs/dbraw/zinc/74/69/94/343746994.db2.gz GKWDJTQQSXAWDV-SNVBAGLBSA-N 0 0 192.258 2.463 10 30 AEEERN CC[C@@H](C=O)c1ccc(O)c(OC)c1 107182813 343747283 /nfs/dbraw/zinc/74/72/83/343747283.db2.gz MREREEWFAZGGMT-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN O=CCn1ccc2cccc(Cl)c21 107182539 343747375 /nfs/dbraw/zinc/74/73/75/343747375.db2.gz WKXBOQMTZMDTOG-UHFFFAOYSA-N 0 0 193.633 2.494 10 30 AEEERN N#C[C@@H](F)c1cccc(F)c1 107276223 343748369 /nfs/dbraw/zinc/74/83/69/343748369.db2.gz SFMARDRRQQIQDZ-MRVPVSSYSA-N 0 0 153.131 2.360 10 30 AEEERN N#C[C@H](F)c1cccc(F)c1 107276227 343748688 /nfs/dbraw/zinc/74/86/88/343748688.db2.gz SFMARDRRQQIQDZ-QMMMGPOBSA-N 0 0 153.131 2.360 10 30 AEEERN CC(=O)/C=C(/C)C(C)C 107777248 343750090 /nfs/dbraw/zinc/75/00/90/343750090.db2.gz VUHKPAJOGSYXMN-ALCCZGGFSA-N 0 0 126.199 2.178 10 30 AEEERN C/C(=N\O)c1cccc(C)c1 108447393 343752940 /nfs/dbraw/zinc/75/29/40/343752940.db2.gz NTOAVKFMIIVSOW-CSKARUKUSA-N 0 0 149.193 2.193 10 30 AEEERN CC(C)CCN(C1CC1)[C@H](C)C#N 109475761 343753358 /nfs/dbraw/zinc/75/33/58/343753358.db2.gz GBPQVOTZGSLXPP-SNVBAGLBSA-N 0 0 180.295 2.409 10 30 AEEERN CC(C)CCN(C1CC1)[C@@H](C)C#N 109475758 343753370 /nfs/dbraw/zinc/75/33/70/343753370.db2.gz GBPQVOTZGSLXPP-JTQLQIEISA-N 0 0 180.295 2.409 10 30 AEEERN CC/C(=N/OC)c1ccccc1 111352435 343754162 /nfs/dbraw/zinc/75/41/62/343754162.db2.gz AFJMSAYQDCXBDP-KHPPLWFESA-N 0 0 163.220 2.447 10 30 AEEERN CC#C/C(=C/C)CC 111348432 343754287 /nfs/dbraw/zinc/75/42/87/343754287.db2.gz GWVWHRMKPSRNDX-VMPITWQZSA-N 0 0 108.184 2.366 10 30 AEEERN CCCCCCC[C@H]1O[C@@H]1CO 112999606 343756536 /nfs/dbraw/zinc/75/65/36/343756536.db2.gz MZPZDPXPQAQGJD-NXEZZACHSA-N 0 0 172.268 2.107 10 30 AEEERN CCCCCCC[C@H](O)[C@H]1CO1 113000859 343756656 /nfs/dbraw/zinc/75/66/56/343756656.db2.gz GHYVSUWHOOJVGV-VHSXEESVSA-N 0 0 172.268 2.107 10 30 AEEERN CCCCCCC[C@@H](O)[C@@H]1CO1 113000851 343756727 /nfs/dbraw/zinc/75/67/27/343756727.db2.gz GHYVSUWHOOJVGV-ZJUUUORDSA-N 0 0 172.268 2.107 10 30 AEEERN C=C1CCC2(CC1)OCCCO2 113192058 343757174 /nfs/dbraw/zinc/75/71/74/343757174.db2.gz GGWIYTIYDSUUMH-UHFFFAOYSA-N 0 0 168.236 2.250 10 30 AEEERN CC#CCc1ccc(F)cc1 113292481 343758244 /nfs/dbraw/zinc/75/82/44/343758244.db2.gz SYGMTFOEPSUKRT-UHFFFAOYSA-N 0 0 148.180 2.392 10 30 AEEERN CC(=O)ON=C1CCCCCC1 113325324 343758329 /nfs/dbraw/zinc/75/83/29/343758329.db2.gz XNPFMDDRMDTXLF-UHFFFAOYSA-N 0 0 169.224 2.260 10 30 AEEERN Cc1c([C@@H]2CO2)ccc(F)c1C#N 113485797 343759291 /nfs/dbraw/zinc/75/92/91/343759291.db2.gz HOKBCTIRWRABGV-JTQLQIEISA-N 0 0 177.178 2.077 10 30 AEEERN C=C/C=C\C(=O)CCC 113541729 343759371 /nfs/dbraw/zinc/75/93/71/343759371.db2.gz DWXYESOTAHVYEC-ALCCZGGFSA-N 0 0 124.183 2.098 10 30 AEEERN CC(=O)c1ccc(CC#N)c(F)c1 113536519 343759392 /nfs/dbraw/zinc/75/93/92/343759392.db2.gz KPMNGYSWHVAYPQ-UHFFFAOYSA-N 0 0 177.178 2.094 10 30 AEEERN Cc1c([C@H]2CO2)ccc(F)c1C#N 113485800 343759403 /nfs/dbraw/zinc/75/94/03/343759403.db2.gz HOKBCTIRWRABGV-SNVBAGLBSA-N 0 0 177.178 2.077 10 30 AEEERN C=CCC(=O)OCc1ccccc1 113633286 343759938 /nfs/dbraw/zinc/75/99/38/343759938.db2.gz DIHWNRNXRGICRQ-UHFFFAOYSA-N 0 0 176.215 2.306 10 30 AEEERN Cc1c(F)c(F)c(F)c(C#N)c1F 113757826 343760318 /nfs/dbraw/zinc/76/03/18/343760318.db2.gz XOIXIMRRCALZKH-UHFFFAOYSA-N 0 0 189.111 2.423 10 30 AEEERN Cc1ccccc1/C(Cl)=N/O 113758148 343760444 /nfs/dbraw/zinc/76/04/44/343760444.db2.gz RMEACWADEPTZOU-NTMALXAHSA-N 0 0 169.611 2.370 10 30 AEEERN C#Cc1ccc(-c2cnn(C)c2)s1 113819915 343760467 /nfs/dbraw/zinc/76/04/67/343760467.db2.gz FGJVPBUKDGEWPZ-UHFFFAOYSA-N 0 0 188.255 2.130 10 30 AEEERN C=CCCC(=C)C(=O)OCC 113767783 343760570 /nfs/dbraw/zinc/76/05/70/343760570.db2.gz DLVQGJDIRODUES-UHFFFAOYSA-N 0 0 154.209 2.072 10 30 AEEERN CC(C)COc1cccc(N)c1C#N 114240590 343762281 /nfs/dbraw/zinc/76/22/81/343762281.db2.gz AYXZQHYWVIDZGW-UHFFFAOYSA-N 0 0 190.246 2.175 10 30 AEEERN CC1=Cc2ccccc2C1=O 114373579 343762553 /nfs/dbraw/zinc/76/25/53/343762553.db2.gz QYVIDQDORQTCBS-UHFFFAOYSA-N 0 0 144.173 2.286 10 30 AEEERN O/N=C(\Cl)Cc1ccccc1 114684219 343764232 /nfs/dbraw/zinc/76/42/32/343764232.db2.gz GZBWRHWHHPBVHE-NTMALXAHSA-N 0 0 169.611 2.256 10 30 AEEERN C=CCCOCCCC 114772370 343764377 /nfs/dbraw/zinc/76/43/77/343764377.db2.gz DQBLWVOFEZVBFT-UHFFFAOYSA-N 0 0 128.215 2.379 10 30 AEEERN Cc1cccc(C#Cc2c[nH]c(C)n2)c1 114963242 343765568 /nfs/dbraw/zinc/76/55/68/343765568.db2.gz STWJHEKTPGRFAG-UHFFFAOYSA-N 0 0 196.253 2.426 10 30 AEEERN C#C[C@@H](O)C/C=C/c1ccccc1 115008573 343765653 /nfs/dbraw/zinc/76/56/53/343765653.db2.gz JDGYWDJVWDWPHX-UVMWJGKXSA-N 0 0 172.227 2.084 10 30 AEEERN C#C[C@H](O)C/C=C/c1ccccc1 115008575 343765689 /nfs/dbraw/zinc/76/56/89/343765689.db2.gz JDGYWDJVWDWPHX-LZGFCCKTSA-N 0 0 172.227 2.084 10 30 AEEERN C=C(C)c1ccccc1CO 115153838 343766144 /nfs/dbraw/zinc/76/61/44/343766144.db2.gz JTKILVMMBUMPQG-UHFFFAOYSA-N 0 0 148.205 2.212 10 30 AEEERN C=CCn1cc(CCCCC)nn1 115373616 343766453 /nfs/dbraw/zinc/76/64/53/343766453.db2.gz HZARBDIUIZNKIC-UHFFFAOYSA-N 0 0 179.267 2.197 10 30 AEEERN CC=CC(=O)Cc1ccccc1 115646783 343767405 /nfs/dbraw/zinc/76/74/05/343767405.db2.gz BVEVFHZKAPQDJV-QHHAFSJGSA-N 0 0 160.216 2.374 10 30 AEEERN C=CCc1ccc(C(=O)OC)s1 115825137 343767695 /nfs/dbraw/zinc/76/76/95/343767695.db2.gz NBWDZDLGLVFMQH-UHFFFAOYSA-N 0 0 182.244 2.263 10 30 AEEERN CC(C)Cc1ccc(N)cc1C#N 115769525 343767858 /nfs/dbraw/zinc/76/78/58/343767858.db2.gz PPBTWGRFMVIQBC-UHFFFAOYSA-N 0 0 174.247 2.339 10 30 AEEERN N#Cc1ccc(N)cc1C1CC1 115965293 343767870 /nfs/dbraw/zinc/76/78/70/343767870.db2.gz OIEVZQHMTSQAIT-UHFFFAOYSA-N 0 0 158.204 2.018 10 30 AEEERN C=Cc1cccc([C@@H]2CO2)c1 116360081 343768859 /nfs/dbraw/zinc/76/88/59/343768859.db2.gz UVHDKEBYNUALRW-JTQLQIEISA-N 0 0 146.189 2.401 10 30 AEEERN Oc1cncc(C#Cc2ccccc2)c1 116293659 343769069 /nfs/dbraw/zinc/76/90/69/343769069.db2.gz DVVLFOBXZNVUKW-UHFFFAOYSA-N 0 0 195.221 2.187 10 30 AEEERN N#CC1CCC2(CCCO2)CC1 116497340 343769618 /nfs/dbraw/zinc/76/96/18/343769618.db2.gz OAMFPOIWBHXROJ-UHFFFAOYSA-N 0 0 165.236 2.249 10 30 AEEERN C=C(C)c1ccc(OC)cn1 116401682 343769646 /nfs/dbraw/zinc/76/96/46/343769646.db2.gz FYFCHNGSUMWJFL-UHFFFAOYSA-N 0 0 149.193 2.123 10 30 AEEERN CCC1(C#N)CCC2(CC1)OCCO2 116494890 343769755 /nfs/dbraw/zinc/76/97/55/343769755.db2.gz RMBNDEGNGDCSQK-UHFFFAOYSA-N 0 0 195.262 2.223 10 30 AEEERN Cc1cc(CCC#N)cc(C)c1O 116677385 343770143 /nfs/dbraw/zinc/77/01/43/343770143.db2.gz VYZAEOZMCHPNLQ-UHFFFAOYSA-N 0 0 175.231 2.465 10 30 AEEERN C=CC[C@H](C=O)C(C)C 116539291 343770413 /nfs/dbraw/zinc/77/04/13/343770413.db2.gz UCENWOFPTQSUNH-MRVPVSSYSA-N 0 0 126.199 2.034 10 30 AEEERN ON=C1CC(c2ccccc2)C1 116548775 343770416 /nfs/dbraw/zinc/77/04/16/343770416.db2.gz ZRSRYYWZHNJBNH-UHFFFAOYSA-N 0 0 161.204 2.394 10 30 AEEERN N#Cc1ccc(F)cc1-c1ncccn1 116821524 343770833 /nfs/dbraw/zinc/77/08/33/343770833.db2.gz MBSKDSMMEXBLFC-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CC(C)(C#N)CC1CC1 116879696 343771026 /nfs/dbraw/zinc/77/10/26/343771026.db2.gz YQXZEJFYHGRBHP-UHFFFAOYSA-N 0 0 123.199 2.336 10 30 AEEERN C=C(C)[C@H]1C=CC(=O)CC1 116766212 343771145 /nfs/dbraw/zinc/77/11/45/343771145.db2.gz HAOWMOLNSDGCGZ-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN N#CCc1ccc(-c2ccccc2)nn1 117003725 343771422 /nfs/dbraw/zinc/77/14/22/343771422.db2.gz DNDBHOSYJDVVAI-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN CCCCCCCn1cnnc1 117213276 343772007 /nfs/dbraw/zinc/77/20/07/343772007.db2.gz ZIUPOIJCXQFQCK-UHFFFAOYSA-N 0 0 167.256 2.249 10 30 AEEERN CCc1ccc(C#N)cc1OC 117324742 343772918 /nfs/dbraw/zinc/77/29/18/343772918.db2.gz SDGVDYHKGCKTHJ-UHFFFAOYSA-N 0 0 161.204 2.129 10 30 AEEERN CCc1cc(N)c(C)cc1C#N 117693821 343773121 /nfs/dbraw/zinc/77/31/21/343773121.db2.gz XFCRXYGAELMHGW-UHFFFAOYSA-N 0 0 160.220 2.011 10 30 AEEERN c1ccc(CO[C@@H]2C[C@@H]3O[C@@H]3C2)cc1 117714223 343773321 /nfs/dbraw/zinc/77/33/21/343773321.db2.gz CWRSDAPNEGDROZ-ZSBIGDGJSA-N 0 0 190.242 2.133 10 30 AEEERN N#CC[C@H]1CC[C@@H](CC#N)C1 118198653 343774772 /nfs/dbraw/zinc/77/47/72/343774772.db2.gz MNJQTJVRKQYFRP-DTORHVGOSA-N 0 0 148.209 2.230 10 30 AEEERN C=CCC1=CC=CC1 118146865 343774831 /nfs/dbraw/zinc/77/48/31/343774831.db2.gz DKIUYAAMKFJPGB-UHFFFAOYSA-N 0 0 106.168 2.449 10 30 AEEERN N#CC[C@H]1CC[C@H](CC#N)C1 118198654 343774883 /nfs/dbraw/zinc/77/48/83/343774883.db2.gz MNJQTJVRKQYFRP-RKDXNWHRSA-N 0 0 148.209 2.230 10 30 AEEERN N#Cc1csc2ncccc12 118236453 343775040 /nfs/dbraw/zinc/77/50/40/343775040.db2.gz BQQWSYFDZFBFKI-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN C/C=N/[S@](=O)c1ccc(C)cc1 118221129 343775165 /nfs/dbraw/zinc/77/51/65/343775165.db2.gz JYGZWWQQJIGSSI-IYMAKHKGSA-N 0 0 181.260 2.108 10 30 AEEERN N#CC[C@@H]1CC[C@@H](CC#N)C1 118198651 343775173 /nfs/dbraw/zinc/77/51/73/343775173.db2.gz MNJQTJVRKQYFRP-IUCAKERBSA-N 0 0 148.209 2.230 10 30 AEEERN C=CC1CCC2(CC1)OCCO2 118317054 343775701 /nfs/dbraw/zinc/77/57/01/343775701.db2.gz XKNNKGNVMURWRJ-UHFFFAOYSA-N 0 0 168.236 2.106 10 30 AEEERN C=C(C)c1ccc(C(=O)OCC)nc1 118838626 343776534 /nfs/dbraw/zinc/77/65/34/343776534.db2.gz KIUPRRACOMOQMG-UHFFFAOYSA-N 0 0 191.230 2.291 10 30 AEEERN N#Cc1ccc(-c2ccc(O)cc2)nc1 118888455 343777202 /nfs/dbraw/zinc/77/72/02/343777202.db2.gz HAYTXMQMQOQLDV-UHFFFAOYSA-N 0 0 196.209 2.326 10 30 AEEERN C=CC[C@H](O)c1cccc(C#N)c1 122062459 343778040 /nfs/dbraw/zinc/77/80/40/343778040.db2.gz UQWNQMZSFRHFGO-NSHDSACASA-N 0 0 173.215 2.168 10 30 AEEERN N#Cc1cccc(-c2ccc(N)cn2)c1 122867139 343781147 /nfs/dbraw/zinc/78/11/47/343781147.db2.gz WDRKKXZNHLVWCE-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C(C)CN(CC)C(=O)N(CC)CC 122988691 343781961 /nfs/dbraw/zinc/78/19/61/343781961.db2.gz HJYMMQIFMYPPEM-UHFFFAOYSA-N 0 0 198.310 2.346 10 30 AEEERN C=CCCCN(C)C(=O)c1ccco1 125094553 343788787 /nfs/dbraw/zinc/78/87/87/343788787.db2.gz WGEKBPZHGVJSID-UHFFFAOYSA-N 0 0 193.246 2.318 10 30 AEEERN C=CCCCN(C)C(=O)NCCCC 125111910 343788844 /nfs/dbraw/zinc/78/88/44/343788844.db2.gz BRZQYADRUFVZHQ-UHFFFAOYSA-N 0 0 198.310 2.394 10 30 AEEERN C=CCCCN(C)C(=O)C(C)(C)C 125094078 343788863 /nfs/dbraw/zinc/78/88/63/343788863.db2.gz MLJLQNKLSVNKPP-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCN(C)C(=O)C(C)C 125089196 343789031 /nfs/dbraw/zinc/78/90/31/343789031.db2.gz PXESZOPCKGQLRB-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN C=CCCCN(C)C(=O)NC1CCC1 125112653 343789141 /nfs/dbraw/zinc/78/91/41/343789141.db2.gz HPCNWMKFZBCMHW-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCN(C)C(=O)NCCC 125112173 343789187 /nfs/dbraw/zinc/78/91/87/343789187.db2.gz AHVKOROZHIALPZ-UHFFFAOYSA-N 0 0 184.283 2.004 10 30 AEEERN C=CCCCN(C)C(=O)CCC 125094317 343789225 /nfs/dbraw/zinc/78/92/25/343789225.db2.gz SHDKTFREDGXKBT-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN C=CCCCN(C)C(=O)NC(C)C 125111671 343789228 /nfs/dbraw/zinc/78/92/28/343789228.db2.gz XDLPITBQZRLTCJ-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C=CCCn1ccc(C(F)(F)F)n1 125678615 343791550 /nfs/dbraw/zinc/79/15/50/343791550.db2.gz BEDCNECRMBYMCT-UHFFFAOYSA-N 0 0 190.168 2.478 10 30 AEEERN CN[C@@H](C#N)c1c(C)cccc1C 126510831 343793931 /nfs/dbraw/zinc/79/39/31/343793931.db2.gz DKNMXLBUFIOLMQ-JTQLQIEISA-N 0 0 174.247 2.088 10 30 AEEERN CN[C@H](C#N)c1c(C)cccc1C 126510593 343793976 /nfs/dbraw/zinc/79/39/76/343793976.db2.gz DKNMXLBUFIOLMQ-SNVBAGLBSA-N 0 0 174.247 2.088 10 30 AEEERN COc1cc(Cl)c(C)c(C#N)c1N 126860629 343798389 /nfs/dbraw/zinc/79/83/89/343798389.db2.gz RZCVGBCVEYZZDJ-UHFFFAOYSA-N 0 0 196.637 2.111 10 30 AEEERN COc1cccc(F)c1[C@H](C)C#N 126933305 343800782 /nfs/dbraw/zinc/80/07/82/343800782.db2.gz RFTJJSASHKVXMG-SSDOTTSWSA-N 0 0 179.194 2.461 10 30 AEEERN COc1cccc(F)c1[C@@H](C)C#N 126933039 343800888 /nfs/dbraw/zinc/80/08/88/343800888.db2.gz RFTJJSASHKVXMG-ZETCQYMHSA-N 0 0 179.194 2.461 10 30 AEEERN C#CCSc1cccc(O)c1 126986611 343801866 /nfs/dbraw/zinc/80/18/66/343801866.db2.gz ZLYZRBNICJGIHY-UHFFFAOYSA-N 0 0 164.229 2.118 10 30 AEEERN CC(C)=CC(=O)CC1CC1 127158105 343805401 /nfs/dbraw/zinc/80/54/01/343805401.db2.gz VHDXFZHLCNHZGR-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(Cl)CNc1nc(C)ns1 127196380 343806666 /nfs/dbraw/zinc/80/66/66/343806666.db2.gz CTEYCXDDSZXQRF-UHFFFAOYSA-N 0 0 189.671 2.011 10 30 AEEERN C=CC[C@@H](C)Nc1ccnc(C)n1 127195661 343806720 /nfs/dbraw/zinc/80/67/20/343806720.db2.gz ABDOPBHFVBBJFD-MRVPVSSYSA-N 0 0 177.251 2.162 10 30 AEEERN C#CC[C@H](CC)Nc1nc(C)ns1 127217323 343807294 /nfs/dbraw/zinc/80/72/94/343807294.db2.gz OYTRBKNWNCUTJJ-QMMMGPOBSA-N 0 0 195.291 2.060 10 30 AEEERN C=CC[C@H](O)c1cccc2c1NCC2 127203368 343807416 /nfs/dbraw/zinc/80/74/16/343807416.db2.gz CCZBWGYIBHEXRL-NSHDSACASA-N 0 0 189.258 2.264 10 30 AEEERN CC(C)=CC(=O)c1cscn1 127323054 343809808 /nfs/dbraw/zinc/80/98/08/343809808.db2.gz ILRUDXFOLMBKDR-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN CC#CCC[C@H](O)C1CCCC1 127373104 343811207 /nfs/dbraw/zinc/81/12/07/343811207.db2.gz NBPNVJRNISBQKA-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@@H](O)C1CCCC1 127373336 343811372 /nfs/dbraw/zinc/81/13/72/343811372.db2.gz NBPNVJRNISBQKA-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@](C)(Br)C#N 127606831 343815025 /nfs/dbraw/zinc/81/50/25/343815025.db2.gz UTKMVZHKCYSJOM-YFKPBYRVSA-N 0 0 162.030 2.074 10 30 AEEERN CC[C@@](C)(Br)C#N 127607048 343815167 /nfs/dbraw/zinc/81/51/67/343815167.db2.gz UTKMVZHKCYSJOM-RXMQYKEDSA-N 0 0 162.030 2.074 10 30 AEEERN CCC[C@](C)(Br)C#N 127647958 343816231 /nfs/dbraw/zinc/81/62/31/343816231.db2.gz PAVDTFCTGPLMFO-LURJTMIESA-N 0 0 176.057 2.464 10 30 AEEERN CC(C)[C@@](C)(Br)C#N 127660362 343816252 /nfs/dbraw/zinc/81/62/52/343816252.db2.gz XUHLYWVEBVWGGT-LURJTMIESA-N 0 0 176.057 2.320 10 30 AEEERN CC(C)[C@](C)(Br)C#N 127660167 343816358 /nfs/dbraw/zinc/81/63/58/343816358.db2.gz XUHLYWVEBVWGGT-ZCFIWIBFSA-N 0 0 176.057 2.320 10 30 AEEERN CCC[C@@](C)(Br)C#N 127648200 343816451 /nfs/dbraw/zinc/81/64/51/343816451.db2.gz PAVDTFCTGPLMFO-ZCFIWIBFSA-N 0 0 176.057 2.464 10 30 AEEERN CC[C@@](Br)(C#N)C1CC1 127684469 343816911 /nfs/dbraw/zinc/81/69/11/343816911.db2.gz SGKVVEIDQXCLEL-SSDOTTSWSA-N 0 0 188.068 2.464 10 30 AEEERN CC[C@](Br)(C#N)C1CC1 127684687 343817033 /nfs/dbraw/zinc/81/70/33/343817033.db2.gz SGKVVEIDQXCLEL-ZETCQYMHSA-N 0 0 188.068 2.464 10 30 AEEERN C#CC[C@@H](C)NC(=O)C1(C)CCCC1 127684945 343817076 /nfs/dbraw/zinc/81/70/76/343817076.db2.gz KHUSTLSZYIDPIH-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C#CC[C@H](C)NC(=O)C1(C)CCCC1 127684744 343817205 /nfs/dbraw/zinc/81/72/05/343817205.db2.gz KHUSTLSZYIDPIH-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN CC[C@@](C)(O)c1ccc(C#N)cc1 127836495 343820143 /nfs/dbraw/zinc/82/01/43/343820143.db2.gz NBNSYBJQIUPQHO-LLVKDONJSA-N 0 0 175.231 2.176 10 30 AEEERN CC[C@](C)(O)c1ccc(C#N)cc1 127836253 343820467 /nfs/dbraw/zinc/82/04/67/343820467.db2.gz NBNSYBJQIUPQHO-NSHDSACASA-N 0 0 175.231 2.176 10 30 AEEERN C=C(C)C(=O)C[C@H]1CCCCO1 128031997 343823664 /nfs/dbraw/zinc/82/36/64/343823664.db2.gz QEFSLGWEFNIYLB-SECBINFHSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(C)C(=O)C[C@@H]1CCCCO1 128031740 343823764 /nfs/dbraw/zinc/82/37/64/343823764.db2.gz QEFSLGWEFNIYLB-VIFPVBQESA-N 0 0 168.236 2.091 10 30 AEEERN CCCCNc1cccc(C#N)c1N 128080580 343824219 /nfs/dbraw/zinc/82/42/19/343824219.db2.gz ZKLBNKWHJLHSTD-UHFFFAOYSA-N 0 0 189.262 2.352 10 30 AEEERN N#C[C@]1(C2=CCCCC2)C[C@H]1CO 128113507 343825140 /nfs/dbraw/zinc/82/51/40/343825140.db2.gz QJJLMNPNHZSXSJ-QWRGUYRKSA-N 0 0 177.247 2.009 10 30 AEEERN CCSc1cc(C#N)ccc1N 128179207 343825741 /nfs/dbraw/zinc/82/57/41/343825741.db2.gz SYEVBAZNOAVWBP-UHFFFAOYSA-N 0 0 178.260 2.252 10 30 AEEERN C=CCC(=O)[C@H]1CCOC2(CCC2)C1 128151793 343825749 /nfs/dbraw/zinc/82/57/49/343825749.db2.gz LVVJSKGWZAHWOY-JTQLQIEISA-N 0 0 194.274 2.481 10 30 AEEERN C=CCC(=O)CC(=C)C 128192093 343825766 /nfs/dbraw/zinc/82/57/66/343825766.db2.gz PMRGEILLDVJOOL-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=CCC(=O)[C@@H]1CCOC2(CCC2)C1 128151528 343825862 /nfs/dbraw/zinc/82/58/62/343825862.db2.gz LVVJSKGWZAHWOY-SNVBAGLBSA-N 0 0 194.274 2.481 10 30 AEEERN C=CCC(=O)c1cnccc1C 128156662 343825878 /nfs/dbraw/zinc/82/58/78/343825878.db2.gz ORCFYILFUNRVSN-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN N#Cc1ccc(N)c(OC2CCC2)c1 128224384 343826601 /nfs/dbraw/zinc/82/66/01/343826601.db2.gz OZQVRXLMPRPJCV-UHFFFAOYSA-N 0 0 188.230 2.072 10 30 AEEERN C=CCCC[C@H](O)CC=C 128267792 343827841 /nfs/dbraw/zinc/82/78/41/343827841.db2.gz IVCRQUXBIQDPRL-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN C=CCCC[C@@H](O)CC=C 128268008 343827844 /nfs/dbraw/zinc/82/78/44/343827844.db2.gz IVCRQUXBIQDPRL-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=CC[C@H](O)CC(=C)CC 128291969 343828354 /nfs/dbraw/zinc/82/83/54/343828354.db2.gz DJXJUCZCSOOTEO-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=CC[C@@H](O)CC(=C)CC 128291745 343828367 /nfs/dbraw/zinc/82/83/67/343828367.db2.gz DJXJUCZCSOOTEO-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN C=CC[C@H](O)[C@H]1CCc2cccnc21 128317943 343828761 /nfs/dbraw/zinc/82/87/61/343828761.db2.gz GANLQZSSBLMOPR-MNOVXSKESA-N 0 0 189.258 2.048 10 30 AEEERN CC(C)COC1CCC(=NO)CC1 128491101 343832834 /nfs/dbraw/zinc/83/28/34/343832834.db2.gz KQVAAWGMHQWLBN-UHFFFAOYSA-N 0 0 185.267 2.432 10 30 AEEERN CCC(CC)Cn1ccnc1C#N 128489031 343832972 /nfs/dbraw/zinc/83/29/72/343832972.db2.gz YKSACBXMRTWIFO-UHFFFAOYSA-N 0 0 177.251 2.191 10 30 AEEERN C=C[C@@H](O)c1cncc2ccccc12 128546718 343833531 /nfs/dbraw/zinc/83/35/31/343833531.db2.gz GEOVTXPPRSFQGO-GFCCVEGCSA-N 0 0 185.226 2.454 10 30 AEEERN C=C[C@H](O)c1cncc2ccccc12 128546483 343833622 /nfs/dbraw/zinc/83/36/22/343833622.db2.gz GEOVTXPPRSFQGO-LBPRGKRZSA-N 0 0 185.226 2.454 10 30 AEEERN C#CC(=O)c1coc2ccccc12 128663276 343835182 /nfs/dbraw/zinc/83/51/82/343835182.db2.gz IRHNONJNWTXPPO-UHFFFAOYSA-N 0 0 170.167 2.249 10 30 AEEERN CC[C@H](C#N)Oc1c(C)cccc1N 128630384 343835400 /nfs/dbraw/zinc/83/54/00/343835400.db2.gz JUSWRLZNOSINTK-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Oc1c(C)cccc1N 128630162 343835500 /nfs/dbraw/zinc/83/55/00/343835500.db2.gz JUSWRLZNOSINTK-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN C=C(C)C(=O)C1(OC)CCCC1 128754921 343836575 /nfs/dbraw/zinc/83/65/75/343836575.db2.gz SCPWWVMLTOEIBV-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN Cc1oc2ccccc2c1CC=O 128799704 343837456 /nfs/dbraw/zinc/83/74/56/343837456.db2.gz LNNSMYJYJKYPTJ-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN N#CC[C@@H](O)c1coc2ccccc12 128821261 343838117 /nfs/dbraw/zinc/83/81/17/343838117.db2.gz NDHZEXRMEQIXKE-SNVBAGLBSA-N 0 0 187.198 2.380 10 30 AEEERN N#CC[C@H](O)c1coc2ccccc12 128821460 343838219 /nfs/dbraw/zinc/83/82/19/343838219.db2.gz NDHZEXRMEQIXKE-JTQLQIEISA-N 0 0 187.198 2.380 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCC(C)(C)C1 129002695 343842572 /nfs/dbraw/zinc/84/25/72/343842572.db2.gz GSOUNWQZTAZRRQ-IUCAKERBSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCC(C)(C)C1 129002503 343842643 /nfs/dbraw/zinc/84/26/43/343842643.db2.gz GSOUNWQZTAZRRQ-RKDXNWHRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCC(C)(C)C1 129002305 343842792 /nfs/dbraw/zinc/84/27/92/343842792.db2.gz GSOUNWQZTAZRRQ-DTWKUNHWSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](C#N)N[C@H]1CCC(C)(C)C1 129002927 343842817 /nfs/dbraw/zinc/84/28/17/343842817.db2.gz GSOUNWQZTAZRRQ-BDAKNGLRSA-N 0 0 166.268 2.067 10 30 AEEERN CC(C)(C#N)CN1CC2(CCC2)C1 129304618 343847445 /nfs/dbraw/zinc/84/74/45/343847445.db2.gz SGVAYTBBYUHYNE-UHFFFAOYSA-N 0 0 178.279 2.022 10 30 AEEERN CC(C)(C#N)CN1CC2(CCCC2)C1 129306581 343848281 /nfs/dbraw/zinc/84/82/81/343848281.db2.gz NXSQGMHCCIWXDI-UHFFFAOYSA-N 0 0 192.306 2.412 10 30 AEEERN Cc1ccc2c(c1)[C@]1(CC2)CO1 129458391 343850466 /nfs/dbraw/zinc/85/04/66/343850466.db2.gz LBRXVAIWNCQFKG-NSHDSACASA-N 0 0 160.216 2.167 10 30 AEEERN Cc1ccc2c(c1)[C@@]1(CC2)CO1 129458171 343850606 /nfs/dbraw/zinc/85/06/06/343850606.db2.gz LBRXVAIWNCQFKG-LLVKDONJSA-N 0 0 160.216 2.167 10 30 AEEERN Cc1ccc2c(c1)[C@H](C=O)CC2 129470706 343851136 /nfs/dbraw/zinc/85/11/36/343851136.db2.gz JHQCWGDOPPNAHP-JTQLQIEISA-N 0 0 160.216 2.224 10 30 AEEERN CO[C@@]1(C#N)CCc2ccc(C)cc21 129490747 343851163 /nfs/dbraw/zinc/85/11/63/343851163.db2.gz BEPVGDLQPKNGST-GFCCVEGCSA-N 0 0 187.242 2.307 10 30 AEEERN Cc1ccc2c(c1)[C@@H](C=O)CC2 129470918 343851461 /nfs/dbraw/zinc/85/14/61/343851461.db2.gz JHQCWGDOPPNAHP-SNVBAGLBSA-N 0 0 160.216 2.224 10 30 AEEERN CO[C@]1(C#N)CCc2ccc(C)cc21 129490981 343851595 /nfs/dbraw/zinc/85/15/95/343851595.db2.gz BEPVGDLQPKNGST-LBPRGKRZSA-N 0 0 187.242 2.307 10 30 AEEERN Cc1ccc2c(c1)[C@@](O)(CC#N)CC2 129497915 343851651 /nfs/dbraw/zinc/85/16/51/343851651.db2.gz RXRKKXJVWTZKDY-LBPRGKRZSA-N 0 0 187.242 2.043 10 30 AEEERN CCNc1nc(C)c(CC)cc1C#N 129515347 343851669 /nfs/dbraw/zinc/85/16/69/343851669.db2.gz IKOCQBKMLWNLLB-UHFFFAOYSA-N 0 0 189.262 2.256 10 30 AEEERN Cc1ccc2c(c1)[C@](O)(CC#N)CC2 129497742 343852123 /nfs/dbraw/zinc/85/21/23/343852123.db2.gz RXRKKXJVWTZKDY-GFCCVEGCSA-N 0 0 187.242 2.043 10 30 AEEERN CS[C@H](C#N)C1CCCC1 129589911 343853826 /nfs/dbraw/zinc/85/38/26/343853826.db2.gz FIEQXFILUKWOJG-MRVPVSSYSA-N 0 0 155.266 2.432 10 30 AEEERN C[C@@H]1CC[C@H](NC2=CC(=O)CC2)C1 129664489 343854839 /nfs/dbraw/zinc/85/48/39/343854839.db2.gz FWOBABHOBSKAJH-BDAKNGLRSA-N 0 0 179.263 2.011 10 30 AEEERN C[C@H]1CC[C@@H](NC2=CC(=O)CC2)C1 129665156 343854858 /nfs/dbraw/zinc/85/48/58/343854858.db2.gz FWOBABHOBSKAJH-DTWKUNHWSA-N 0 0 179.263 2.011 10 30 AEEERN CC1(C)CC[C@@H](NC2=CC(=O)CC2)C1 129695420 343855344 /nfs/dbraw/zinc/85/53/44/343855344.db2.gz ISCGCDPMBWMMBP-SNVBAGLBSA-N 0 0 193.290 2.402 10 30 AEEERN CC1(C)CC[C@H](NC2=CC(=O)CC2)C1 129695163 343855432 /nfs/dbraw/zinc/85/54/32/343855432.db2.gz ISCGCDPMBWMMBP-JTQLQIEISA-N 0 0 193.290 2.402 10 30 AEEERN CC(C)(C)Nc1cccnc1C#N 129802091 343856893 /nfs/dbraw/zinc/85/68/93/343856893.db2.gz CAFLRGSJTPRMAR-UHFFFAOYSA-N 0 0 175.235 2.164 10 30 AEEERN C=C(Cl)CNc1ncccc1F 129846792 343857243 /nfs/dbraw/zinc/85/72/43/343857243.db2.gz FCQOAMYKDHPKBO-UHFFFAOYSA-N 0 0 186.617 2.385 10 30 AEEERN C#CC[C@@H](C)Nc1ncccc1F 129850343 343857421 /nfs/dbraw/zinc/85/74/21/343857421.db2.gz SSTIMJICTCDJIO-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN C#CCC(=O)c1ccc(OC)c(C)c1 129848600 343857555 /nfs/dbraw/zinc/85/75/55/343857555.db2.gz NKRPHCZFBSADOZ-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN C#CC[C@H](C)Nc1ncccc1F 129850134 343857612 /nfs/dbraw/zinc/85/76/12/343857612.db2.gz SSTIMJICTCDJIO-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN CC[C@H](C)N(C)c1cccnc1C#N 129867094 343858013 /nfs/dbraw/zinc/85/80/13/343858013.db2.gz ODPIIJAFEZGJJA-VIFPVBQESA-N 0 0 189.262 2.188 10 30 AEEERN CCN(c1cccnc1C#N)C(C)C 129864782 343858025 /nfs/dbraw/zinc/85/80/25/343858025.db2.gz DVNUPZHNBZOMNL-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN CC(C)[C@@H](C)Nc1cccnc1C#N 129860717 343858031 /nfs/dbraw/zinc/85/80/31/343858031.db2.gz GMUWUSLZESJZEA-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN CC[C@@H](C)N(C)c1cccnc1C#N 129866880 343858118 /nfs/dbraw/zinc/85/81/18/343858118.db2.gz ODPIIJAFEZGJJA-SECBINFHSA-N 0 0 189.262 2.188 10 30 AEEERN CC(C)[C@H](C)Nc1cccnc1C#N 129860891 343858183 /nfs/dbraw/zinc/85/81/83/343858183.db2.gz GMUWUSLZESJZEA-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN C[C@@H](Nc1cccnc1C#N)C1CC1 129875899 343858813 /nfs/dbraw/zinc/85/88/13/343858813.db2.gz ZADHGNBCTNQGRB-MRVPVSSYSA-N 0 0 187.246 2.164 10 30 AEEERN C#C[C@H](NC)c1cccc(F)c1Cl 130040360 343860583 /nfs/dbraw/zinc/86/05/83/343860583.db2.gz KQYKEYHIYCEMQN-VIFPVBQESA-N 0 0 197.640 2.373 10 30 AEEERN C#C[C@@H](NC)c1cccc(F)c1Cl 130040546 343860647 /nfs/dbraw/zinc/86/06/47/343860647.db2.gz KQYKEYHIYCEMQN-SECBINFHSA-N 0 0 197.640 2.373 10 30 AEEERN N#C[C@H]1CCCCN1Cc1ccoc1 130064682 343861049 /nfs/dbraw/zinc/86/10/49/343861049.db2.gz HHURYGACFFUADF-LLVKDONJSA-N 0 0 190.246 2.158 10 30 AEEERN N#C[C@@H]1CCCCN1Cc1ccoc1 130064887 343861257 /nfs/dbraw/zinc/86/12/57/343861257.db2.gz HHURYGACFFUADF-NSHDSACASA-N 0 0 190.246 2.158 10 30 AEEERN CC(C)CCOc1cccnc1C#N 130102627 343861954 /nfs/dbraw/zinc/86/19/54/343861954.db2.gz YSALCHZNSWUNHM-UHFFFAOYSA-N 0 0 190.246 2.378 10 30 AEEERN CC(C)[C@H](C)Oc1cccnc1C#N 130162664 343863084 /nfs/dbraw/zinc/86/30/84/343863084.db2.gz DVKCQHBFHSOLAP-VIFPVBQESA-N 0 0 190.246 2.377 10 30 AEEERN CC(C)[C@@H](C)Oc1cccnc1C#N 130162456 343863377 /nfs/dbraw/zinc/86/33/77/343863377.db2.gz DVKCQHBFHSOLAP-SECBINFHSA-N 0 0 190.246 2.377 10 30 AEEERN CCCCOc1cccnc1C#N 130133568 343863497 /nfs/dbraw/zinc/86/34/97/343863497.db2.gz SCVFHSFVGQVALM-UHFFFAOYSA-N 0 0 176.219 2.132 10 30 AEEERN C=CCCCOc1cccnc1C#N 130160459 343863501 /nfs/dbraw/zinc/86/35/01/343863501.db2.gz NAWDDRPEWNPTQU-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN C#CCN(CC)c1ccccc1C#N 130183793 343864035 /nfs/dbraw/zinc/86/40/35/343864035.db2.gz SLJSRYWLGOHTDH-UHFFFAOYSA-N 0 0 184.242 2.018 10 30 AEEERN C#CCN(CC)c1ccc(C#N)cc1 130182476 343864053 /nfs/dbraw/zinc/86/40/53/343864053.db2.gz XZIJOWQRYBKJBM-UHFFFAOYSA-N 0 0 184.242 2.018 10 30 AEEERN C#Cc1ccc2c(c1)CCCN2C 130330387 343866681 /nfs/dbraw/zinc/86/66/81/343866681.db2.gz YCLOCYSWORQSGF-UHFFFAOYSA-N 0 0 171.243 2.050 10 30 AEEERN C#Cc1ccc2cccc(OC)c2n1 130332939 343866794 /nfs/dbraw/zinc/86/67/94/343866794.db2.gz HYCCALXMBDCJSC-UHFFFAOYSA-N 0 0 183.210 2.225 10 30 AEEERN CCSc1cccc(C#N)c1N 130333524 343866831 /nfs/dbraw/zinc/86/68/31/343866831.db2.gz KHTUDWKTGSDKEB-UHFFFAOYSA-N 0 0 178.260 2.252 10 30 AEEERN C#C[C@@H]([NH3+])c1cc(C)cc(Cl)c1 130324483 343866935 /nfs/dbraw/zinc/86/69/35/343866935.db2.gz ULYVGPADSKGTLN-SNVBAGLBSA-N 0 0 179.650 2.281 10 30 AEEERN C#Cc1cccc2c1OC(C)(C)C2 130329203 343866942 /nfs/dbraw/zinc/86/69/42/343866942.db2.gz PCIKKCLXKIXAPS-UHFFFAOYSA-N 0 0 172.227 2.381 10 30 AEEERN C#Cc1ccc(OC)c(OC(F)F)c1 130337490 343867068 /nfs/dbraw/zinc/86/70/68/343867068.db2.gz XIFYBVYSVDGHBO-UHFFFAOYSA-N 0 0 198.168 2.278 10 30 AEEERN C=C[C@@H]([NH3+])c1sccc1CC 130530633 343869744 /nfs/dbraw/zinc/86/97/44/343869744.db2.gz UXNSUBFKTNSPHN-MRVPVSSYSA-N 0 0 167.277 2.496 10 30 AEEERN C=C[C@H]([NH2+]C)c1coc(C)c1 130513085 343869766 /nfs/dbraw/zinc/86/97/66/343869766.db2.gz AFVOVKOCEXZJJQ-VIFPVBQESA-N 0 0 151.209 2.035 10 30 AEEERN C=C[C@H]([NH3+])c1sccc1CC 130530820 343869772 /nfs/dbraw/zinc/86/97/72/343869772.db2.gz UXNSUBFKTNSPHN-QMMMGPOBSA-N 0 0 167.277 2.496 10 30 AEEERN C=C[C@H]([NH3+])c1cc2c(s1)CCC2 130521432 343869948 /nfs/dbraw/zinc/86/99/48/343869948.db2.gz CJGYSAYZVXXKNR-QMMMGPOBSA-N 0 0 179.288 2.423 10 30 AEEERN C=C[C@@H]([NH3+])c1cc2c(s1)CCC2 130521644 343869997 /nfs/dbraw/zinc/86/99/97/343869997.db2.gz CJGYSAYZVXXKNR-MRVPVSSYSA-N 0 0 179.288 2.423 10 30 AEEERN C=C[C@@H]([NH2+]C)c1coc(C)c1 130512866 343870014 /nfs/dbraw/zinc/87/00/14/343870014.db2.gz AFVOVKOCEXZJJQ-SECBINFHSA-N 0 0 151.209 2.035 10 30 AEEERN CC(C)(C)Oc1cc(C#N)ccc1N 130544893 343870330 /nfs/dbraw/zinc/87/03/30/343870330.db2.gz RLAPWCUOONQFFP-UHFFFAOYSA-N 0 0 190.246 2.318 10 30 AEEERN C=C[C@@H](C)Nc1ccc(C)cn1 130621293 343870769 /nfs/dbraw/zinc/87/07/69/343870769.db2.gz OFKYKVDQESUSAT-SECBINFHSA-N 0 0 162.236 2.376 10 30 AEEERN C#Cc1cc(Cl)cs1 130596987 343870820 /nfs/dbraw/zinc/87/08/20/343870820.db2.gz GEHRNIDHGGSYKN-UHFFFAOYSA-N 0 0 142.610 2.383 10 30 AEEERN C#Cc1cc(Cl)c2c(c1)OCCO2 130596114 343870865 /nfs/dbraw/zinc/87/08/65/343870865.db2.gz WMOZZPDXAPQNER-UHFFFAOYSA-N 0 0 194.617 2.093 10 30 AEEERN C=C[C@H](C)Nc1ccc(C)cn1 130621030 343870958 /nfs/dbraw/zinc/87/09/58/343870958.db2.gz OFKYKVDQESUSAT-VIFPVBQESA-N 0 0 162.236 2.376 10 30 AEEERN C#C[C@@H](F)c1cccc2c1NCC2 130594002 343871012 /nfs/dbraw/zinc/87/10/12/343871012.db2.gz SYADVLHZPRUMDE-SNVBAGLBSA-N 0 0 175.206 2.298 10 30 AEEERN C#C[C@H](F)c1cccc2c1NCC2 130593816 343871049 /nfs/dbraw/zinc/87/10/49/343871049.db2.gz SYADVLHZPRUMDE-JTQLQIEISA-N 0 0 175.206 2.298 10 30 AEEERN C#Cc1cc(Cl)c2c(c1)OCO2 130599398 343871067 /nfs/dbraw/zinc/87/10/67/343871067.db2.gz GAYUVDAPXSONGL-UHFFFAOYSA-N 0 0 180.590 2.050 10 30 AEEERN N#Cc1ccc(C(=O)CN=[N+]=[N-])cc1 130745342 343874449 /nfs/dbraw/zinc/87/44/49/343874449.db2.gz YCYPCFYAPBARSE-UHFFFAOYSA-N 0 0 186.174 2.051 10 30 AEEERN CC(C)(C)Oc1cccc(C#N)c1N 131107923 343879786 /nfs/dbraw/zinc/87/97/86/343879786.db2.gz KWMZZGWFOBGLSA-UHFFFAOYSA-N 0 0 190.246 2.318 10 30 AEEERN C#CC[C@@H](C)Nc1cc(C)ccn1 131083451 343879869 /nfs/dbraw/zinc/87/98/69/343879869.db2.gz AVTLMFGQBGKTNF-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN N#Cc1cccc(OC2CCC2)c1N 131118307 343879923 /nfs/dbraw/zinc/87/99/23/343879923.db2.gz ROGMDEFLZOERPX-UHFFFAOYSA-N 0 0 188.230 2.072 10 30 AEEERN C#CC[C@H](C)Nc1cc(C)ccn1 131083239 343879931 /nfs/dbraw/zinc/87/99/31/343879931.db2.gz AVTLMFGQBGKTNF-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN CC[C@H](C)Oc1cccc(C#N)c1N 131113999 343879962 /nfs/dbraw/zinc/87/99/62/343879962.db2.gz OSDHNKORSRUVRQ-QMMMGPOBSA-N 0 0 190.246 2.318 10 30 AEEERN CC[C@@H](C)Oc1cccc(C#N)c1N 131113789 343880051 /nfs/dbraw/zinc/88/00/51/343880051.db2.gz OSDHNKORSRUVRQ-MRVPVSSYSA-N 0 0 190.246 2.318 10 30 AEEERN CC(C)=CC(=O)c1ncccc1F 131130043 343880735 /nfs/dbraw/zinc/88/07/35/343880735.db2.gz PZWMTCQUVLMZAO-UHFFFAOYSA-N 0 0 179.194 2.370 10 30 AEEERN C=C(C)C[C@H](O)c1ncccc1F 131195241 343881124 /nfs/dbraw/zinc/88/11/24/343881124.db2.gz SOZPKWOOOZBOFS-VIFPVBQESA-N 0 0 181.210 2.220 10 30 AEEERN C=C(C)C[C@@H](O)c1ncccc1F 131195465 343881384 /nfs/dbraw/zinc/88/13/84/343881384.db2.gz SOZPKWOOOZBOFS-SECBINFHSA-N 0 0 181.210 2.220 10 30 AEEERN C=CCN(C)c1ccc(C#N)c(F)c1 131361232 343884754 /nfs/dbraw/zinc/88/47/54/343884754.db2.gz DHSMRCNHXHMALO-UHFFFAOYSA-N 0 0 190.221 2.320 10 30 AEEERN C=CCN(C)c1ccc(C#N)cc1F 131360313 343884762 /nfs/dbraw/zinc/88/47/62/343884762.db2.gz WTVPHXUNIQTNRR-UHFFFAOYSA-N 0 0 190.221 2.320 10 30 AEEERN C=CCN(C)c1cc(C)ccc1C#N 131359001 343884832 /nfs/dbraw/zinc/88/48/32/343884832.db2.gz CJNSATLUUCOHKZ-UHFFFAOYSA-N 0 0 186.258 2.489 10 30 AEEERN CCc1nc2c(C#N)cccc2n1C 131420797 343885328 /nfs/dbraw/zinc/88/53/28/343885328.db2.gz NWJIAYPJTNQYBD-UHFFFAOYSA-N 0 0 185.230 2.007 10 30 AEEERN CSCc1cccc(C#N)c1N 131565229 343886328 /nfs/dbraw/zinc/88/63/28/343886328.db2.gz VAQFLOSBNDEAJL-UHFFFAOYSA-N 0 0 178.260 2.003 10 30 AEEERN CC(C)c1ccc(N)c(C#N)c1F 131571265 343886463 /nfs/dbraw/zinc/88/64/63/343886463.db2.gz YBBYNECOPPVDED-UHFFFAOYSA-N 0 0 178.210 2.403 10 30 AEEERN CSCCC1(C#N)CCOCC1 131651198 343887007 /nfs/dbraw/zinc/88/70/07/343887007.db2.gz ZHGVBYLNVPCXGR-UHFFFAOYSA-N 0 0 185.292 2.060 10 30 AEEERN N#CC(F)(F)c1cccs1 131732846 343887532 /nfs/dbraw/zinc/88/75/32/343887532.db2.gz PBBVXRGBYONDCR-UHFFFAOYSA-N 0 0 159.160 2.363 10 30 AEEERN Cc1cccc2cc(C#CCO)oc12 131793584 343888748 /nfs/dbraw/zinc/88/87/48/343888748.db2.gz AFUIFHUQALWECC-UHFFFAOYSA-N 0 0 186.210 2.085 10 30 AEEERN CCOc1c(Cl)ccc(C#N)c1N 131844518 343889230 /nfs/dbraw/zinc/88/92/30/343889230.db2.gz PEAPHMJUKYNHMH-UHFFFAOYSA-N 0 0 196.637 2.193 10 30 AEEERN Cc1cc(Cl)c(N)c(C#N)c1 131838251 343889324 /nfs/dbraw/zinc/88/93/24/343889324.db2.gz BDZACNIMPJECHZ-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN CCOc1ccc(Cl)c(C#N)c1N 131843036 343889496 /nfs/dbraw/zinc/88/94/96/343889496.db2.gz YEPDZMWKWOEWAF-UHFFFAOYSA-N 0 0 196.637 2.193 10 30 AEEERN Cc1cccc2cc(CC=O)oc12 131849370 343889755 /nfs/dbraw/zinc/88/97/55/343889755.db2.gz SPQHHOABAGFWBX-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN O=CCc1cc2cc(F)ccc2o1 131849568 343889825 /nfs/dbraw/zinc/88/98/25/343889825.db2.gz VELQBVOCNBNSJJ-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN CSCc1ccc(C#N)c(N)c1C 131863957 343889832 /nfs/dbraw/zinc/88/98/32/343889832.db2.gz CVKRADJKHPQVKR-UHFFFAOYSA-N 0 0 192.287 2.312 10 30 AEEERN Cc1c(C#N)c(N)c2cccnc2c1C 131870542 343889835 /nfs/dbraw/zinc/88/98/35/343889835.db2.gz XDBUAZOIBULVDE-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN Cc1ccc(N)c(C#N)c1OC(F)F 131861801 343889859 /nfs/dbraw/zinc/88/98/59/343889859.db2.gz HHMFASLLYQHSHF-UHFFFAOYSA-N 0 0 198.172 2.050 10 30 AEEERN Cc1ccc2oc(CC=O)cc2c1 131848934 343889897 /nfs/dbraw/zinc/88/98/97/343889897.db2.gz JTIBPLFKXHDANV-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN Cc1c(OC(F)F)ccc(C#N)c1N 131852170 343889946 /nfs/dbraw/zinc/88/99/46/343889946.db2.gz NIADTTHUMWLLME-UHFFFAOYSA-N 0 0 198.172 2.050 10 30 AEEERN Cc1cc(F)cc(C(=O)CC#N)c1 131864232 343889951 /nfs/dbraw/zinc/88/99/51/343889951.db2.gz GNIFFCDIJGZLKV-UHFFFAOYSA-N 0 0 177.178 2.231 10 30 AEEERN O=CCc1cc2cccc(F)c2o1 131849799 343889953 /nfs/dbraw/zinc/88/99/53/343889953.db2.gz RLFUCSOFRITONJ-UHFFFAOYSA-N 0 0 178.162 2.313 10 30 AEEERN COc1cc(N)c(C#N)cc1C(C)C 131882608 343890414 /nfs/dbraw/zinc/89/04/14/343890414.db2.gz WQVYRQVNKACQDY-UHFFFAOYSA-N 0 0 190.246 2.272 10 30 AEEERN CC(C)OCc1cccc(C#N)c1N 131874732 343890423 /nfs/dbraw/zinc/89/04/23/343890423.db2.gz KZKYMWMVHHMRFT-UHFFFAOYSA-N 0 0 190.246 2.065 10 30 AEEERN C[C@@H](C#N)Nc1ccc(F)cc1C#N 131902184 343890728 /nfs/dbraw/zinc/89/07/28/343890728.db2.gz RPECXENMZFCRJL-ZETCQYMHSA-N 0 0 189.193 2.021 10 30 AEEERN CC1(C)C[C@H]1Nc1ccc(C#N)nc1 131894030 343890871 /nfs/dbraw/zinc/89/08/71/343890871.db2.gz BBNANUWTUZTOGW-SNVBAGLBSA-N 0 0 187.246 2.164 10 30 AEEERN C=CC[C@@H](O)c1cc(F)ccc1N 131931099 343890978 /nfs/dbraw/zinc/89/09/78/343890978.db2.gz PJYGABRAGFUJRS-SNVBAGLBSA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)C[C@@H](O)c1cc(F)ccc1N 131939038 343891131 /nfs/dbraw/zinc/89/11/31/343891131.db2.gz FPZSIQRILSZVJC-LLVKDONJSA-N 0 0 195.237 2.408 10 30 AEEERN C=CC[C@H](O)c1cc(F)ccc1N 131930860 343891249 /nfs/dbraw/zinc/89/12/49/343891249.db2.gz PJYGABRAGFUJRS-JTQLQIEISA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)C[C@H](O)c1cc(F)ccc1N 131938823 343891293 /nfs/dbraw/zinc/89/12/93/343891293.db2.gz FPZSIQRILSZVJC-NSHDSACASA-N 0 0 195.237 2.408 10 30 AEEERN CC[C@H](C#N)N1CC[C@H](C)[C@H](C)C1 131981758 343891706 /nfs/dbraw/zinc/89/17/06/343891706.db2.gz KFLZMJAMCITSDX-HBNTYKKESA-N 0 0 180.295 2.266 10 30 AEEERN Cc1cc(C(=O)CC#N)c(F)cc1F 132026216 343892915 /nfs/dbraw/zinc/89/29/15/343892915.db2.gz RLHLLFZXJRPDNU-UHFFFAOYSA-N 0 0 195.168 2.370 10 30 AEEERN CC(C)(C#N)Cc1ccoc1 132085193 343893778 /nfs/dbraw/zinc/89/37/78/343893778.db2.gz HBCMEQSKEAGYLC-UHFFFAOYSA-N 0 0 149.193 2.372 10 30 AEEERN N#C[C@]1(Cc2ccoc2)CCCC1=O 132089833 343893831 /nfs/dbraw/zinc/89/38/31/343893831.db2.gz LMTVLOFUWUTJJG-LLVKDONJSA-N 0 0 189.214 2.085 10 30 AEEERN N#C[C@@]1(Cc2ccoc2)CCCC1=O 132089641 343893893 /nfs/dbraw/zinc/89/38/93/343893893.db2.gz LMTVLOFUWUTJJG-NSHDSACASA-N 0 0 189.214 2.085 10 30 AEEERN c1ccc2oc(C[C@@H]3CO3)cc2c1 132104127 343894307 /nfs/dbraw/zinc/89/43/07/343894307.db2.gz MJMHKRBEHOWBJF-SNVBAGLBSA-N 0 0 174.199 2.374 10 30 AEEERN c1ccc2oc(C[C@H]3CO3)cc2c1 132104334 343894389 /nfs/dbraw/zinc/89/43/89/343894389.db2.gz MJMHKRBEHOWBJF-JTQLQIEISA-N 0 0 174.199 2.374 10 30 AEEERN CC(C)c1c[nH]c(=S)c(C#N)c1 132387261 343897454 /nfs/dbraw/zinc/89/74/54/343897454.db2.gz BHZSBQXOQUGUJR-UHFFFAOYSA-N 0 0 178.260 2.365 10 30 AEEERN CNc1ncc(C(C)C)cc1C#N 132384345 343897498 /nfs/dbraw/zinc/89/74/98/343897498.db2.gz SLOBIBSSLMWUOI-UHFFFAOYSA-N 0 0 175.235 2.118 10 30 AEEERN CCc1cc(CC)n([C@H](C)CC#N)n1 132492638 343898910 /nfs/dbraw/zinc/89/89/10/343898910.db2.gz ZSVPEXUJAZSNEK-SECBINFHSA-N 0 0 191.278 2.483 10 30 AEEERN CCc1cc(CC)n([C@H](C)C#N)n1 132491787 343898952 /nfs/dbraw/zinc/89/89/52/343898952.db2.gz OSJACBCEHWGOGJ-MRVPVSSYSA-N 0 0 177.251 2.092 10 30 AEEERN CCc1cc(CC)n([C@@H](C)CC#N)n1 132492441 343899152 /nfs/dbraw/zinc/89/91/52/343899152.db2.gz ZSVPEXUJAZSNEK-VIFPVBQESA-N 0 0 191.278 2.483 10 30 AEEERN [N-]=[N+]=Nc1ccc(C(F)(F)F)nn1 132527503 343899522 /nfs/dbraw/zinc/89/95/22/343899522.db2.gz HOBUQLUJYOTDGV-UHFFFAOYSA-N 0 0 189.100 2.437 10 30 AEEERN C=CC[C@@H](O)c1ccoc1C 132573396 343900807 /nfs/dbraw/zinc/90/08/07/343900807.db2.gz BIGSTCSEFPUVLL-SECBINFHSA-N 0 0 152.193 2.198 10 30 AEEERN C=CC[C@H](O)c1ccoc1C 132573588 343900810 /nfs/dbraw/zinc/90/08/10/343900810.db2.gz BIGSTCSEFPUVLL-VIFPVBQESA-N 0 0 152.193 2.198 10 30 AEEERN C=CC(=O)c1ncc(C)cc1C 132607165 343901302 /nfs/dbraw/zinc/90/13/02/343901302.db2.gz ZQTAHIXBUZPVNU-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN CC(C)(C)c1ccccc1C(=O)NO 132707331 343903114 /nfs/dbraw/zinc/90/31/14/343903114.db2.gz SXOFXGPJYSMWMN-UHFFFAOYSA-N 0 0 193.246 2.103 10 30 AEEERN CC#CCC(=O)c1ccncc1CC 132801862 343904584 /nfs/dbraw/zinc/90/45/84/343904584.db2.gz UPNHQRJZJJDICO-UHFFFAOYSA-N 0 0 187.242 2.240 10 30 AEEERN C=C(C)C(=O)c1ccncc1C 132800208 343904722 /nfs/dbraw/zinc/90/47/22/343904722.db2.gz QIZFUSZYUFDRAW-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN Cc1cc(N)c(Cl)cc1C#N 132961807 343909028 /nfs/dbraw/zinc/90/90/28/343909028.db2.gz GLWMCADVOPLIRP-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1ccn(-c2ccc(C#N)c(C)c2)n1 133125794 343912080 /nfs/dbraw/zinc/91/20/80/343912080.db2.gz SKISWQBIQLAGCI-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C#CCOc1ccc(Cl)c(F)c1 133220955 343913380 /nfs/dbraw/zinc/91/33/80/343913380.db2.gz GOVQNPBRVOFWFC-UHFFFAOYSA-N 0 0 184.597 2.491 10 30 AEEERN COc1cc(N=[N+]=[N-])ccn1 133310496 343915829 /nfs/dbraw/zinc/91/58/29/343915829.db2.gz NZJTYJUKXABBCG-UHFFFAOYSA-N 0 0 150.141 2.032 10 30 AEEERN CCCCNc1cccnc1C#N 133438660 343918758 /nfs/dbraw/zinc/91/87/58/343918758.db2.gz DTHNEAJIVWJEDP-UHFFFAOYSA-N 0 0 175.235 2.165 10 30 AEEERN C#CCOc1cc(Cl)ncc1C 133467544 343919260 /nfs/dbraw/zinc/91/92/60/343919260.db2.gz AQUDCIATNWXBSF-UHFFFAOYSA-N 0 0 181.622 2.055 10 30 AEEERN C=CC(=O)c1ncccc1CC 133498071 343920358 /nfs/dbraw/zinc/92/03/58/343920358.db2.gz XOXJYWZAZJNTIN-UHFFFAOYSA-N 0 0 161.204 2.013 10 30 AEEERN C[C@H]1C[C@H]1CNc1ccnc(C#N)c1 133557043 343922039 /nfs/dbraw/zinc/92/20/39/343922039.db2.gz OOOFVNFOGRDQBX-IUCAKERBSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@@H]1C[C@@H]1CNc1ccnc(C#N)c1 133556426 343922139 /nfs/dbraw/zinc/92/21/39/343922139.db2.gz OOOFVNFOGRDQBX-RKDXNWHRSA-N 0 0 187.246 2.021 10 30 AEEERN CC(C)C[C@H](C)[C@@H]1CO1 142153548 344010316 /nfs/dbraw/zinc/01/03/16/344010316.db2.gz VMMHVVWPUNJIFP-YUMQZZPRSA-N 0 0 128.215 2.067 10 30 AEEERN CC#CCCC(=O)C1(C)CC1 133668229 343924386 /nfs/dbraw/zinc/92/43/86/343924386.db2.gz VYGARZWKPLPHSS-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CCCNc1nccc(C)c1C#N 133717435 343924828 /nfs/dbraw/zinc/92/48/28/343924828.db2.gz HCMIRTFLDYIIDQ-UHFFFAOYSA-N 0 0 175.235 2.084 10 30 AEEERN C=C1C[C@H](C)O[C@@H](C)C1 133725155 343925560 /nfs/dbraw/zinc/92/55/60/343925560.db2.gz ZDNXVMPSQGPNIX-YUMQZZPRSA-N 0 0 126.199 2.130 10 30 AEEERN C=C1C[C@@H](C)O[C@H](C)C1 133725351 343925567 /nfs/dbraw/zinc/92/55/67/343925567.db2.gz ZDNXVMPSQGPNIX-HTQZYQBOSA-N 0 0 126.199 2.130 10 30 AEEERN C=C1C[C@H](C)O[C@H](C)C1 133724954 343925745 /nfs/dbraw/zinc/92/57/45/343925745.db2.gz ZDNXVMPSQGPNIX-OCAPTIKFSA-N 0 0 126.199 2.130 10 30 AEEERN Cc1cnc(N=[N+]=[N-])cc1[N+](=O)[O-] 133886254 343928567 /nfs/dbraw/zinc/92/85/67/343928567.db2.gz WOTONDYEWUQQOT-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN C=C(CC)C[C@H]1CCCCNC1=O 133965099 343930586 /nfs/dbraw/zinc/93/05/86/343930586.db2.gz VFBAPJDVCOQLHH-SNVBAGLBSA-N 0 0 181.279 2.259 10 30 AEEERN C=C(CC)C[C@@H]1CCCCNC1=O 133964879 343930654 /nfs/dbraw/zinc/93/06/54/343930654.db2.gz VFBAPJDVCOQLHH-JTQLQIEISA-N 0 0 181.279 2.259 10 30 AEEERN C=C[C@@H](C)Nc1nc(C)ccc1C#N 133968928 343930691 /nfs/dbraw/zinc/93/06/91/343930691.db2.gz ATODRIYPRZAMKB-MRVPVSSYSA-N 0 0 187.246 2.248 10 30 AEEERN C=C[C@H](C)Nc1nc(C)ccc1C#N 133968734 343930710 /nfs/dbraw/zinc/93/07/10/343930710.db2.gz ATODRIYPRZAMKB-QMMMGPOBSA-N 0 0 187.246 2.248 10 30 AEEERN CC[C@@H](C)CNc1cnccc1C#N 134137265 343934372 /nfs/dbraw/zinc/93/43/72/343934372.db2.gz AOYCZMWGCBHSBU-SECBINFHSA-N 0 0 189.262 2.411 10 30 AEEERN CC[C@H](C)CNc1cnccc1C#N 134137459 343934744 /nfs/dbraw/zinc/93/47/44/343934744.db2.gz AOYCZMWGCBHSBU-VIFPVBQESA-N 0 0 189.262 2.411 10 30 AEEERN Cc1cc(F)ccc1OCCS 134181229 343935952 /nfs/dbraw/zinc/93/59/52/343935952.db2.gz XXZFYZGNZZHHRT-UHFFFAOYSA-N 0 0 186.251 2.443 10 30 AEEERN CC(C)(C)ON[C@H]1CCCC[C@H]1C#N 134498380 343943633 /nfs/dbraw/zinc/94/36/33/343943633.db2.gz XXUBSPVMRDADBG-UWVGGRQHSA-N 0 0 196.294 2.388 10 30 AEEERN CC(C)(C)ON[C@@H]1CCCC[C@H]1C#N 134498360 343943663 /nfs/dbraw/zinc/94/36/63/343943663.db2.gz XXUBSPVMRDADBG-VHSXEESVSA-N 0 0 196.294 2.388 10 30 AEEERN CC(C)(C)ON[C@H]1CCCC[C@@H]1C#N 134498340 343943763 /nfs/dbraw/zinc/94/37/63/343943763.db2.gz XXUBSPVMRDADBG-ZJUUUORDSA-N 0 0 196.294 2.388 10 30 AEEERN CC(C)(C)ON[C@@H]1CCCC[C@@H]1C#N 134498321 343943978 /nfs/dbraw/zinc/94/39/78/343943978.db2.gz XXUBSPVMRDADBG-NXEZZACHSA-N 0 0 196.294 2.388 10 30 AEEERN C=C(CC)C[C@@H]1CSCC1=O 134558707 343945333 /nfs/dbraw/zinc/94/53/33/343945333.db2.gz YMDPRAOVKSNSEB-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN CC#CC[C@H](O)c1ncccc1CC 134617286 343947511 /nfs/dbraw/zinc/94/75/11/343947511.db2.gz WQGWHOFLVXJTTJ-NSHDSACASA-N 0 0 189.258 2.091 10 30 AEEERN CC#CC[C@@H](O)c1ncccc1CC 134617269 343947524 /nfs/dbraw/zinc/94/75/24/343947524.db2.gz WQGWHOFLVXJTTJ-LLVKDONJSA-N 0 0 189.258 2.091 10 30 AEEERN C=C(CC)C[C@@H]1CSC[C@H]1O 134673540 343947918 /nfs/dbraw/zinc/94/79/18/343947918.db2.gz UTUKRHZIUVOPBR-RKDXNWHRSA-N 0 0 172.293 2.067 10 30 AEEERN C=C(CC)C[C@H]1CSC[C@@H]1O 134673518 343948024 /nfs/dbraw/zinc/94/80/24/343948024.db2.gz UTUKRHZIUVOPBR-IUCAKERBSA-N 0 0 172.293 2.067 10 30 AEEERN C=C(CC)C[C@H]1CSC[C@H]1O 134673559 343948126 /nfs/dbraw/zinc/94/81/26/343948126.db2.gz UTUKRHZIUVOPBR-DTWKUNHWSA-N 0 0 172.293 2.067 10 30 AEEERN C=C(Cl)CNc1ccc(C#N)cn1 134827065 343949932 /nfs/dbraw/zinc/94/99/32/343949932.db2.gz LTXQSPDJVNZZMQ-UHFFFAOYSA-N 0 0 193.637 2.118 10 30 AEEERN Cc1ccnc(NC(C)(C)C)c1C#N 135055541 343953843 /nfs/dbraw/zinc/95/38/43/343953843.db2.gz GDAKDNGYLKGUCN-UHFFFAOYSA-N 0 0 189.262 2.472 10 30 AEEERN Cc1ccnc(N[C@@H]2C[C@H]2C)c1C#N 135075240 343954342 /nfs/dbraw/zinc/95/43/42/343954342.db2.gz QWIRGLDXZZHHOJ-PSASIEDQSA-N 0 0 187.246 2.082 10 30 AEEERN C[C@@H](CC#N)N1CCSC(C)(C)C1 135070791 343954393 /nfs/dbraw/zinc/95/43/93/343954393.db2.gz HDJZFPDOMJVJET-VIFPVBQESA-N 0 0 198.335 2.116 10 30 AEEERN C[C@H](CC#N)N1CCSC(C)(C)C1 135070812 343954483 /nfs/dbraw/zinc/95/44/83/343954483.db2.gz HDJZFPDOMJVJET-SECBINFHSA-N 0 0 198.335 2.116 10 30 AEEERN Cc1ccnc(N[C@H]2C[C@H]2C)c1C#N 135075261 343954505 /nfs/dbraw/zinc/95/45/05/343954505.db2.gz QWIRGLDXZZHHOJ-SCZZXKLOSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1ccnc(OC2CCC2)c1C#N 135093673 343954722 /nfs/dbraw/zinc/95/47/22/343954722.db2.gz XYTQGGFBRDXHCM-UHFFFAOYSA-N 0 0 188.230 2.193 10 30 AEEERN C#CCCC[C@@]1(O)C=CCCC1 135113161 343954817 /nfs/dbraw/zinc/95/48/17/343954817.db2.gz VTGDJJIGGGVYCK-LLVKDONJSA-N 0 0 164.248 2.261 10 30 AEEERN Cc1ccnc(OC(C)(C)C)c1C#N 135091413 343954894 /nfs/dbraw/zinc/95/48/94/343954894.db2.gz LKUHXJQJYXSVAJ-UHFFFAOYSA-N 0 0 190.246 2.439 10 30 AEEERN C#CC(C)(C)Oc1ccnc(F)c1 135118886 343955214 /nfs/dbraw/zinc/95/52/14/343955214.db2.gz RJIMYADVLFAVDJ-UHFFFAOYSA-N 0 0 179.194 2.011 10 30 AEEERN Cc1ccc(C#CC(C)(C)O)s1 135120457 343955219 /nfs/dbraw/zinc/95/52/19/343955219.db2.gz PXXPIZOFVRFKAB-UHFFFAOYSA-N 0 0 180.272 2.179 10 30 AEEERN C#CC(C)(C)Oc1cccc(F)n1 135118413 343955233 /nfs/dbraw/zinc/95/52/33/343955233.db2.gz QTEFROZGKIKETJ-UHFFFAOYSA-N 0 0 179.194 2.011 10 30 AEEERN CCc1cccc(C#CC(C)(C)O)c1 135120768 343955264 /nfs/dbraw/zinc/95/52/64/343955264.db2.gz XNNPQQQGGOJLSD-UHFFFAOYSA-N 0 0 188.270 2.371 10 30 AEEERN C#CC(C)(C)Oc1csc(C=O)c1 135119925 343955343 /nfs/dbraw/zinc/95/53/43/343955343.db2.gz NDWDRRNIUCTYPC-UHFFFAOYSA-N 0 0 194.255 2.351 10 30 AEEERN C#Cc1cccc(N[C@@H](C)C#C)c1 135158975 343955546 /nfs/dbraw/zinc/95/55/46/343955546.db2.gz NUXBVLWHKRRMGY-JTQLQIEISA-N 0 0 169.227 2.102 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)cc1 135162871 343955555 /nfs/dbraw/zinc/95/55/55/343955555.db2.gz INWHPFWJQZDLIF-QMMMGPOBSA-N 0 0 163.195 2.259 10 30 AEEERN C#C[C@@H](C)Nc1cccc(F)c1 135162612 343955564 /nfs/dbraw/zinc/95/55/64/343955564.db2.gz CPVZQPHJNNTDBS-MRVPVSSYSA-N 0 0 163.195 2.259 10 30 AEEERN C#Cc1cccc(N[C@H](C)C#C)c1 135158993 343955579 /nfs/dbraw/zinc/95/55/79/343955579.db2.gz NUXBVLWHKRRMGY-SNVBAGLBSA-N 0 0 169.227 2.102 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)cc1F 135163297 343955630 /nfs/dbraw/zinc/95/56/30/343955630.db2.gz HOFRGVKBVKUOJT-SSDOTTSWSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)cc1F 135163274 343955643 /nfs/dbraw/zinc/95/56/43/343955643.db2.gz HOFRGVKBVKUOJT-ZETCQYMHSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)c(F)c1 135162404 343955672 /nfs/dbraw/zinc/95/56/72/343955672.db2.gz MPKGBLAGYGXATN-SSDOTTSWSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1cc(F)ccc1F 135160992 343955677 /nfs/dbraw/zinc/95/56/77/343955677.db2.gz IRSWVWMTCGXKSP-SSDOTTSWSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@H](C)Nc1cc(F)ccc1F 135160973 343955693 /nfs/dbraw/zinc/95/56/93/343955693.db2.gz IRSWVWMTCGXKSP-ZETCQYMHSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)cc1 135162893 343955710 /nfs/dbraw/zinc/95/57/10/343955710.db2.gz INWHPFWJQZDLIF-MRVPVSSYSA-N 0 0 163.195 2.259 10 30 AEEERN C#C[C@H](C)Nc1cccc(F)c1 135162592 343955758 /nfs/dbraw/zinc/95/57/58/343955758.db2.gz CPVZQPHJNNTDBS-QMMMGPOBSA-N 0 0 163.195 2.259 10 30 AEEERN C#C[C@H](C)Nc1ccccc1F 135163010 343955762 /nfs/dbraw/zinc/95/57/62/343955762.db2.gz SZFYZBCPIWIMMK-QMMMGPOBSA-N 0 0 163.195 2.259 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)c(F)c1 135162386 343955775 /nfs/dbraw/zinc/95/57/75/343955775.db2.gz MPKGBLAGYGXATN-ZETCQYMHSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1ccccc1F 135163032 343955795 /nfs/dbraw/zinc/95/57/95/343955795.db2.gz SZFYZBCPIWIMMK-MRVPVSSYSA-N 0 0 163.195 2.259 10 30 AEEERN C#C[C@@H](C)Nc1cc(F)cc(F)c1 135163797 343956072 /nfs/dbraw/zinc/95/60/72/343956072.db2.gz FDHYBUFNUWEYPY-SSDOTTSWSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1ccc(OC)c(F)c1 135166067 343956094 /nfs/dbraw/zinc/95/60/94/343956094.db2.gz QJHOQSZXXMHBAN-MRVPVSSYSA-N 0 0 193.221 2.268 10 30 AEEERN C#C[C@H](C)Nc1ccc(OC)c(F)c1 135166051 343956132 /nfs/dbraw/zinc/95/61/32/343956132.db2.gz QJHOQSZXXMHBAN-QMMMGPOBSA-N 0 0 193.221 2.268 10 30 AEEERN C#C[C@H](C)Nc1c(F)cccc1F 135165125 343956157 /nfs/dbraw/zinc/95/61/57/343956157.db2.gz WQKBGUSLSLPZBH-ZETCQYMHSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1cccc(OC)c1 135164072 343956229 /nfs/dbraw/zinc/95/62/29/343956229.db2.gz JIHXJJOFKRKDBR-SECBINFHSA-N 0 0 175.231 2.129 10 30 AEEERN C#C[C@H](C)Nc1cccc(F)c1F 135167642 343956232 /nfs/dbraw/zinc/95/62/32/343956232.db2.gz PEKGPQZEWIUPRA-ZETCQYMHSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@@H](C)Nc1cccc(F)c1F 135167663 343956235 /nfs/dbraw/zinc/95/62/35/343956235.db2.gz PEKGPQZEWIUPRA-SSDOTTSWSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@H](C)Nc1cc(F)cc(F)c1 135163779 343956301 /nfs/dbraw/zinc/95/63/01/343956301.db2.gz FDHYBUFNUWEYPY-ZETCQYMHSA-N 0 0 181.185 2.398 10 30 AEEERN C#C[C@H](C)Nc1cccc(OC)c1 135164058 343956303 /nfs/dbraw/zinc/95/63/03/343956303.db2.gz JIHXJJOFKRKDBR-VIFPVBQESA-N 0 0 175.231 2.129 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)c(C#N)c1 135169021 343956323 /nfs/dbraw/zinc/95/63/23/343956323.db2.gz UZHMAGSWNXIDSF-MRVPVSSYSA-N 0 0 188.205 2.131 10 30 AEEERN C#C[C@@H](C)Nc1cc(OC)ccc1F 135172046 343956447 /nfs/dbraw/zinc/95/64/47/343956447.db2.gz XYPVZGSTMVANNO-MRVPVSSYSA-N 0 0 193.221 2.268 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)cc1C#N 135172453 343956512 /nfs/dbraw/zinc/95/65/12/343956512.db2.gz DDLJQUUBYHEISC-QMMMGPOBSA-N 0 0 188.205 2.131 10 30 AEEERN CC(C)C[C@](C)(O)C(C)(C)C#N 135178235 343956636 /nfs/dbraw/zinc/95/66/36/343956636.db2.gz BQWHURUPULGLBO-JTQLQIEISA-N 0 0 169.268 2.333 10 30 AEEERN CC(C)C[C@@](C)(O)C(C)(C)C#N 135178258 343956653 /nfs/dbraw/zinc/95/66/53/343956653.db2.gz BQWHURUPULGLBO-SNVBAGLBSA-N 0 0 169.268 2.333 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)cc1C#N 135172473 343956824 /nfs/dbraw/zinc/95/68/24/343956824.db2.gz DDLJQUUBYHEISC-MRVPVSSYSA-N 0 0 188.205 2.131 10 30 AEEERN C#C[C@H](C)Nc1cc(OC)ccc1F 135172030 343956830 /nfs/dbraw/zinc/95/68/30/343956830.db2.gz XYPVZGSTMVANNO-QMMMGPOBSA-N 0 0 193.221 2.268 10 30 AEEERN CC=CC(=O)c1csc(C)n1 135282457 343957809 /nfs/dbraw/zinc/95/78/09/343957809.db2.gz FDPYQSGHTAUZNT-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN Cc1cccc(F)c1N[C@H](C)C#N 135239241 343957814 /nfs/dbraw/zinc/95/78/14/343957814.db2.gz SUQHTUZDPJCMIV-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1cccc(F)c1NCC#N 135239108 343957918 /nfs/dbraw/zinc/95/79/18/343957918.db2.gz UGYBILMYOMMVPM-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN Cc1ccnc(N=[N+]=[N-])c1C#N 135289685 343958219 /nfs/dbraw/zinc/95/82/19/343958219.db2.gz FSXDJODQSNZUOP-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN Cc1cc(OC[C@]2(C)CO2)ccc1F 135343425 343958649 /nfs/dbraw/zinc/95/86/49/343958649.db2.gz QTMPPAYTVIOBSV-LLVKDONJSA-N 0 0 196.221 2.302 10 30 AEEERN Cc1cc(OC[C@@]2(C)CO2)ccc1F 135343442 343958810 /nfs/dbraw/zinc/95/88/10/343958810.db2.gz QTMPPAYTVIOBSV-NSHDSACASA-N 0 0 196.221 2.302 10 30 AEEERN Cc1cc(OCCC#N)ccc1F 135347603 343959596 /nfs/dbraw/zinc/95/95/96/343959596.db2.gz SCMCDWKQPDOYLE-UHFFFAOYSA-N 0 0 179.194 2.427 10 30 AEEERN CC(=O)/C=C(/C)CC1CC1 135378593 343960605 /nfs/dbraw/zinc/96/06/05/343960605.db2.gz VARYDDVPTSWBTO-ALCCZGGFSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C(=O)c1cc(F)ccc1N 135359353 343960127 /nfs/dbraw/zinc/96/01/27/343960127.db2.gz XTWGQWBFNVMYSB-UHFFFAOYSA-N 0 0 179.194 2.167 10 30 AEEERN CCCC(C)(C)NC1=CC(=O)CC1 135366544 343960158 /nfs/dbraw/zinc/96/01/58/343960158.db2.gz XKGDEQPXRUYFDG-UHFFFAOYSA-N 0 0 181.279 2.402 10 30 AEEERN CCC(C)(C)NC1=CC(=O)CC1 135366265 343960299 /nfs/dbraw/zinc/96/02/99/343960299.db2.gz ZASCYNYJDLECAU-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN N#Cc1cc(F)cc(Cl)c1F 139971019 343997464 /nfs/dbraw/zinc/99/74/64/343997464.db2.gz KUWDKTHCOMRSEQ-UHFFFAOYSA-N 0 0 173.549 2.490 10 30 AEEERN C[C@]1(CC2CCC2)CC(=O)C=CO1 135378393 343960582 /nfs/dbraw/zinc/96/05/82/343960582.db2.gz RYBYPSLKPLKUEU-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN C[C@]1(CC2CC2)CC(=O)C=CO1 135378445 343960583 /nfs/dbraw/zinc/96/05/83/343960583.db2.gz NQSRZOHPAFKDTM-JTQLQIEISA-N 0 0 166.220 2.048 10 30 AEEERN CC[C@@H]1CCC[C@]12CC(=O)C=CO2 135373526 343960592 /nfs/dbraw/zinc/96/05/92/343960592.db2.gz SXJWYMCFIFGSAL-KOLCDFICSA-N 0 0 180.247 2.438 10 30 AEEERN CCC1(NC2=CC(=O)CC2)CCC1 135377514 343960612 /nfs/dbraw/zinc/96/06/12/343960612.db2.gz HFAQUWODUZTAFO-UHFFFAOYSA-N 0 0 179.263 2.156 10 30 AEEERN CC[C@@H]1CCC[C@@]12CC(=O)C=CO2 135373486 343960631 /nfs/dbraw/zinc/96/06/31/343960631.db2.gz SXJWYMCFIFGSAL-MWLCHTKSSA-N 0 0 180.247 2.438 10 30 AEEERN Cc1ccoc1[C@@H]1CC(=O)C=CO1 135377678 343960707 /nfs/dbraw/zinc/96/07/07/343960707.db2.gz UXFXRYGALQIKBS-VIFPVBQESA-N 0 0 178.187 2.132 10 30 AEEERN C[C@@]1(CC2CC2)CC(=O)C=CO1 135378462 343960658 /nfs/dbraw/zinc/96/06/58/343960658.db2.gz NQSRZOHPAFKDTM-SNVBAGLBSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@]1(CC2CCC2)CC(=O)C=CO1 135378413 343960678 /nfs/dbraw/zinc/96/06/78/343960678.db2.gz RYBYPSLKPLKUEU-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN Cc1ccoc1[C@H]1CC(=O)C=CO1 135377696 343960736 /nfs/dbraw/zinc/96/07/36/343960736.db2.gz UXFXRYGALQIKBS-SECBINFHSA-N 0 0 178.187 2.132 10 30 AEEERN CC[C@H]1CCC[C@@]12CC(=O)C=CO2 135373508 343960784 /nfs/dbraw/zinc/96/07/84/343960784.db2.gz SXJWYMCFIFGSAL-GXSJLCMTSA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@H]1CCC[C@]12CC(=O)C=CO2 135373546 343960803 /nfs/dbraw/zinc/96/08/03/343960803.db2.gz SXJWYMCFIFGSAL-ONGXEEELSA-N 0 0 180.247 2.438 10 30 AEEERN C#CCCn1cc2c(c1)C(=O)CCC2 135390359 343961058 /nfs/dbraw/zinc/96/10/58/343961058.db2.gz XQDULPPSHBAKBA-UHFFFAOYSA-N 0 0 187.242 2.030 10 30 AEEERN C[C@H](NC1=CC(=O)CC1)C1CCC1 135387910 343961098 /nfs/dbraw/zinc/96/10/98/343961098.db2.gz PLOGMKDDGHALET-QMMMGPOBSA-N 0 0 179.263 2.011 10 30 AEEERN O=C1C=C(C2CCC2)CC1 135399872 343961101 /nfs/dbraw/zinc/96/11/01/343961101.db2.gz IGAWLHYGQXHQCB-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN C[C@@H]1CCN(C2=CC(=O)CC2)C[C@@H]1C 135392254 343961119 /nfs/dbraw/zinc/96/11/19/343961119.db2.gz FZKXASWEEOMUJJ-ZJUUUORDSA-N 0 0 193.290 2.211 10 30 AEEERN C[C@H]1CCN(C2=CC(=O)CC2)C[C@@H]1C 135392278 343961123 /nfs/dbraw/zinc/96/11/23/343961123.db2.gz FZKXASWEEOMUJJ-UWVGGRQHSA-N 0 0 193.290 2.211 10 30 AEEERN CC(=O)/C=C/c1cc(O)cc(F)c1 135399270 343961171 /nfs/dbraw/zinc/96/11/71/343961171.db2.gz ZRPDVDFCOHIIAP-NSCUHMNNSA-N 0 0 180.178 2.134 10 30 AEEERN O=C1C=C(C2CCC2)CCC1 135399813 343961178 /nfs/dbraw/zinc/96/11/78/343961178.db2.gz KPQBVJQTBKKCGB-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN C[C@@H](NC1=CC(=O)CC1)C1CCC1 135387925 343961251 /nfs/dbraw/zinc/96/12/51/343961251.db2.gz PLOGMKDDGHALET-MRVPVSSYSA-N 0 0 179.263 2.011 10 30 AEEERN CC#CCn1cc2c(c1)C(=O)CCC2 135404140 343961502 /nfs/dbraw/zinc/96/15/02/343961502.db2.gz NIWCORMQJULLCQ-UHFFFAOYSA-N 0 0 187.242 2.030 10 30 AEEERN C=C(C)C(=O)c1ccc(N)c(F)c1 135401782 343961600 /nfs/dbraw/zinc/96/16/00/343961600.db2.gz WQWKPXNZTGGKNS-UHFFFAOYSA-N 0 0 179.194 2.167 10 30 AEEERN C=C(C)C(=O)c1ccc(N)cc1 135402669 343961619 /nfs/dbraw/zinc/96/16/19/343961619.db2.gz KQKDMLNKLBLYKV-UHFFFAOYSA-N 0 0 161.204 2.028 10 30 AEEERN CC(C)=CC(=O)[C@H](N)c1ccccc1 135403984 343961652 /nfs/dbraw/zinc/96/16/52/343961652.db2.gz KBLCGGXVGMCGPD-GFCCVEGCSA-N 0 0 189.258 2.222 10 30 AEEERN C=C(C)C(=O)c1cccc(N)c1 135402579 343961660 /nfs/dbraw/zinc/96/16/60/343961660.db2.gz BMCCHMZDEJJHMZ-UHFFFAOYSA-N 0 0 161.204 2.028 10 30 AEEERN CC(C)=CC(=O)c1ccc(N)cc1 135402717 343961667 /nfs/dbraw/zinc/96/16/67/343961667.db2.gz BYKHWEFUZFFHEK-UHFFFAOYSA-N 0 0 175.231 2.418 10 30 AEEERN CC(C)=CC(=O)c1cccc(N)c1 135402639 343961672 /nfs/dbraw/zinc/96/16/72/343961672.db2.gz WSWFDNFMBUOQDM-UHFFFAOYSA-N 0 0 175.231 2.418 10 30 AEEERN C=CCn1cc2c(c1)[C@@H](O)CCCC2 135413143 343962044 /nfs/dbraw/zinc/96/20/44/343962044.db2.gz QMOWWRBGTYBJIZ-LBPRGKRZSA-N 0 0 191.274 2.434 10 30 AEEERN CC(C)=CC(=O)Cc1cccc(N)c1 135417244 343962139 /nfs/dbraw/zinc/96/21/39/343962139.db2.gz IDFHPFDMJNUMNG-UHFFFAOYSA-N 0 0 189.258 2.347 10 30 AEEERN C=CC(=O)c1ccc(N)c(Cl)c1 135420123 343962349 /nfs/dbraw/zinc/96/23/49/343962349.db2.gz RBQMBTXQYPTEGU-UHFFFAOYSA-N 0 0 181.622 2.291 10 30 AEEERN C=C(C)C(=O)c1cc(C)ccc1N 135419882 343962486 /nfs/dbraw/zinc/96/24/86/343962486.db2.gz FXDHUZDODFNAAR-UHFFFAOYSA-N 0 0 175.231 2.336 10 30 AEEERN Nc1ccc(/C=C/C(=O)C2CC2)cc1 135433107 343962686 /nfs/dbraw/zinc/96/26/86/343962686.db2.gz BOEPLOJNMRUCQZ-FPYGCLRLSA-N 0 0 187.242 2.261 10 30 AEEERN C=C(C)C(=O)c1cccc(F)c1N 135429148 343962715 /nfs/dbraw/zinc/96/27/15/343962715.db2.gz YXWGEJNVGYZIBW-UHFFFAOYSA-N 0 0 179.194 2.167 10 30 AEEERN C=C(C)C(=O)c1cccc(N)c1C 135431826 343962968 /nfs/dbraw/zinc/96/29/68/343962968.db2.gz XQDAXMYSBJHPMW-UHFFFAOYSA-N 0 0 175.231 2.336 10 30 AEEERN C=CC(=O)c1cccc2c1CCCN2 135435763 343963157 /nfs/dbraw/zinc/96/31/57/343963157.db2.gz UEJFYXNFPDUFIR-UHFFFAOYSA-N 0 0 187.242 2.413 10 30 AEEERN C=CC(=O)c1ccc2c(c1)NCC2 135436396 343963388 /nfs/dbraw/zinc/96/33/88/343963388.db2.gz NFYYNGUONBQYKS-UHFFFAOYSA-N 0 0 173.215 2.023 10 30 AEEERN C=C(Cl)CNc1cccc(C#N)n1 135475915 343963491 /nfs/dbraw/zinc/96/34/91/343963491.db2.gz CMXKBBCMEJIUDX-UHFFFAOYSA-N 0 0 193.637 2.118 10 30 AEEERN C[C@@H]1C[C@H]1CNc1cccnc1C#N 135535358 343965054 /nfs/dbraw/zinc/96/50/54/343965054.db2.gz UCTDZPXYCHOIHT-BDAKNGLRSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@@H]1CNc1cccnc1C#N 135535343 343965057 /nfs/dbraw/zinc/96/50/57/343965057.db2.gz UCTDZPXYCHOIHT-DTWKUNHWSA-N 0 0 187.246 2.021 10 30 AEEERN CC1(Nc2ccc(N)cc2C#N)CC1 135571482 343965442 /nfs/dbraw/zinc/96/54/42/343965442.db2.gz USCLRPHZBHKWDS-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN C=C[C@H](C)Nc1ccc(C#N)c(N)c1 135557763 343965513 /nfs/dbraw/zinc/96/55/13/343965513.db2.gz KXUPUUFBGLJKBG-QMMMGPOBSA-N 0 0 187.246 2.127 10 30 AEEERN CC1(Nc2ccc(C#N)c(N)c2)CC1 135571392 343965531 /nfs/dbraw/zinc/96/55/31/343965531.db2.gz IGJUHVBYUONVMT-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN CC1(Nc2ccc(C#N)nc2)CCC1 135573517 343965542 /nfs/dbraw/zinc/96/55/42/343965542.db2.gz UVSMEVQOWDEULF-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN C=C[C@@H](C)Nc1ccc(C#N)c(N)c1 135557782 343965546 /nfs/dbraw/zinc/96/55/46/343965546.db2.gz KXUPUUFBGLJKBG-MRVPVSSYSA-N 0 0 187.246 2.127 10 30 AEEERN CC1(Nc2cccc(C#N)c2N)CC1 135571417 343965556 /nfs/dbraw/zinc/96/55/56/343965556.db2.gz AQNZFNYQUXOAQG-UHFFFAOYSA-N 0 0 187.246 2.105 10 30 AEEERN CC[C@@H](C)Oc1cnccc1C#N 135624197 343965875 /nfs/dbraw/zinc/96/58/75/343965875.db2.gz NGJMWASVRZVRQU-MRVPVSSYSA-N 0 0 176.219 2.131 10 30 AEEERN CC(C)(C)Oc1cnccc1C#N 135622535 343965879 /nfs/dbraw/zinc/96/58/79/343965879.db2.gz ATDRCTVEMHDSOV-UHFFFAOYSA-N 0 0 176.219 2.131 10 30 AEEERN CC(C)[C@H](C)Oc1cnccc1C#N 135628566 343965968 /nfs/dbraw/zinc/96/59/68/343965968.db2.gz PFWKRYWZKNLZNY-VIFPVBQESA-N 0 0 190.246 2.377 10 30 AEEERN CC[C@H](C)Oc1cnccc1C#N 135624225 343966001 /nfs/dbraw/zinc/96/60/01/343966001.db2.gz NGJMWASVRZVRQU-QMMMGPOBSA-N 0 0 176.219 2.131 10 30 AEEERN N#Cc1cccc([C@H](O)C2CCC2)c1 135623751 343966003 /nfs/dbraw/zinc/96/60/03/343966003.db2.gz XVOOIVAAUFHCRH-GFCCVEGCSA-N 0 0 187.242 2.392 10 30 AEEERN CC(C)[C@@H](C)Oc1cnccc1C#N 135628537 343966040 /nfs/dbraw/zinc/96/60/40/343966040.db2.gz PFWKRYWZKNLZNY-SECBINFHSA-N 0 0 190.246 2.377 10 30 AEEERN N#Cc1ccncc1OC1CCCC1 135618418 343966061 /nfs/dbraw/zinc/96/60/61/343966061.db2.gz KGXRKNKWYMJOKW-UHFFFAOYSA-N 0 0 188.230 2.275 10 30 AEEERN N#Cc1cccc([C@@H](O)C2CCC2)c1 135623785 343966096 /nfs/dbraw/zinc/96/60/96/343966096.db2.gz XVOOIVAAUFHCRH-LBPRGKRZSA-N 0 0 187.242 2.392 10 30 AEEERN CC1(C)C[C@H]1Nc1cnccc1C#N 135602435 343966105 /nfs/dbraw/zinc/96/61/05/343966105.db2.gz NKNNLPVIRFJVEE-SNVBAGLBSA-N 0 0 187.246 2.164 10 30 AEEERN C=C(C)C(=O)C1=CCCC1 135743509 343967104 /nfs/dbraw/zinc/96/71/04/343967104.db2.gz IPKJNXQDNBYPHY-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CCCSc1cnccc1C#N 135771719 343967317 /nfs/dbraw/zinc/96/73/17/343967317.db2.gz ZYWRRKLOHXXHNU-UHFFFAOYSA-N 0 0 178.260 2.455 10 30 AEEERN C=CCCc1ccco1 135761509 343967332 /nfs/dbraw/zinc/96/73/32/343967332.db2.gz SLRQHNMZSHSUSW-UHFFFAOYSA-N 0 0 122.167 2.398 10 30 AEEERN CC(C)Sc1cnccc1C#N 135772782 343967413 /nfs/dbraw/zinc/96/74/13/343967413.db2.gz FAFFRKATTWXTPX-UHFFFAOYSA-N 0 0 178.260 2.454 10 30 AEEERN C=CCc1ccccc1CC(=O)OC 135779417 343967672 /nfs/dbraw/zinc/96/76/72/343967672.db2.gz MUQBREJSZOAMJR-UHFFFAOYSA-N 0 0 190.242 2.131 10 30 AEEERN C=C(C)C[C@@H](O)c1ccncc1F 135824401 343968364 /nfs/dbraw/zinc/96/83/64/343968364.db2.gz WSJHSCQHLRQGQD-SNVBAGLBSA-N 0 0 181.210 2.220 10 30 AEEERN C=C(C)C[C@H](O)c1ccncc1F 135824364 343968554 /nfs/dbraw/zinc/96/85/54/343968554.db2.gz WSJHSCQHLRQGQD-JTQLQIEISA-N 0 0 181.210 2.220 10 30 AEEERN CC(C)=CC(=O)c1ccncc1F 135818135 343968591 /nfs/dbraw/zinc/96/85/91/343968591.db2.gz KBDHMQFGHDCVLC-UHFFFAOYSA-N 0 0 179.194 2.370 10 30 AEEERN C#C/C(C)=C\[C@@H](O)c1ccccc1 135872944 343969394 /nfs/dbraw/zinc/96/93/94/343969394.db2.gz IJHZYNPERZRHJX-ZWLSGLHFSA-N 0 0 172.227 2.300 10 30 AEEERN C#C/C(C)=C\[C@H](O)c1ccccc1 135872920 343969471 /nfs/dbraw/zinc/96/94/71/343969471.db2.gz IJHZYNPERZRHJX-PRDAAYKISA-N 0 0 172.227 2.300 10 30 AEEERN CCC(=O)/C=C/C(C)C 135867295 343969607 /nfs/dbraw/zinc/96/96/07/343969607.db2.gz MTSUINBHQHHCSL-AATRIKPKSA-N 0 0 126.199 2.178 10 30 AEEERN CO/C(C)=C/C(=O)c1ccccc1 135896717 343971286 /nfs/dbraw/zinc/97/12/86/343971286.db2.gz CGMOMOIRKGWUGB-CMDGGOBGSA-N 0 0 176.215 2.420 10 30 AEEERN C/C(=N\O)c1ccccc1F 135959461 343972698 /nfs/dbraw/zinc/97/26/98/343972698.db2.gz GICWIGFGMGZNGL-UXBLZVDNSA-N 0 0 153.156 2.024 10 30 AEEERN C=CC1(CO)CCCCC1 136147300 343975767 /nfs/dbraw/zinc/97/57/67/343975767.db2.gz HITXJOWEZMDKGJ-UHFFFAOYSA-N 0 0 140.226 2.115 10 30 AEEERN CC[C@@](C)(C#N)C(=O)N[C@H](C)C(C)C 136185327 343976503 /nfs/dbraw/zinc/97/65/03/343976503.db2.gz DAJIVAXAEOIAKC-KOLCDFICSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@](C)(C#N)C(=O)N[C@H](C)C(C)C 136185356 343976562 /nfs/dbraw/zinc/97/65/62/343976562.db2.gz DAJIVAXAEOIAKC-MWLCHTKSSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@](C)(C#N)C(=O)N[C@@H](C)C(C)C 136185291 343976573 /nfs/dbraw/zinc/97/65/73/343976573.db2.gz DAJIVAXAEOIAKC-GXSJLCMTSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)C(C)C 136185254 343976776 /nfs/dbraw/zinc/97/67/76/343976776.db2.gz DAJIVAXAEOIAKC-ONGXEEELSA-N 0 0 196.294 2.087 10 30 AEEERN C=CCN1C=CC=C/C1=C\N=O 136238340 343978115 /nfs/dbraw/zinc/97/81/15/343978115.db2.gz QCIBHTJSNLWOJP-CMDGGOBGSA-N 0 0 162.192 2.166 10 30 AEEERN C=CCC1=CCCC[C@@H]1O 136253641 343978499 /nfs/dbraw/zinc/97/84/99/343978499.db2.gz KHCNRDOZRUFYGF-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN C=CCC1=CCCC[C@H]1O 136253680 343978549 /nfs/dbraw/zinc/97/85/49/343978549.db2.gz KHCNRDOZRUFYGF-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN C=C1C(=O)CC[C@H]1C(C)C 136345213 343979665 /nfs/dbraw/zinc/97/96/65/343979665.db2.gz JYIVQZRUENHQCI-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)CC(=O)/C=C/Cl 136644663 343981398 /nfs/dbraw/zinc/98/13/98/343981398.db2.gz ZUWCNUMXLOLDLK-ONEGZZNKSA-N 0 0 146.617 2.354 10 30 AEEERN C=CCCC/C=C/C(=O)OCC 136574243 343981419 /nfs/dbraw/zinc/98/14/19/343981419.db2.gz YJMBTLPCWIGRGK-CMDGGOBGSA-N 0 0 168.236 2.462 10 30 AEEERN C/C=C\C(=O)CC(C)C 136600841 343981526 /nfs/dbraw/zinc/98/15/26/343981526.db2.gz VJQKJGLHKJYTQM-PLNGDYQASA-N 0 0 126.199 2.178 10 30 AEEERN C=CCC(C)(C)/C=N/O 136654576 343981559 /nfs/dbraw/zinc/98/15/59/343981559.db2.gz PEGMQFNKURUAFZ-SOFGYWHQSA-N 0 0 127.187 2.049 10 30 AEEERN C/C=C/C(=O)c1nccn1C(C)C 136659611 343981579 /nfs/dbraw/zinc/98/15/79/343981579.db2.gz WNRMOHSVEZLUPS-SNAWJCMRSA-N 0 0 178.235 2.223 10 30 AEEERN CN(C)/N=C/C1=CCCCC1 136710110 343981782 /nfs/dbraw/zinc/98/17/82/343981782.db2.gz KFEVYRZHPBJFSI-CSKARUKUSA-N 0 0 152.241 2.034 10 30 AEEERN C=CC/[NH+]=C/c1ccc(F)cc1 136713137 343981867 /nfs/dbraw/zinc/98/18/67/343981867.db2.gz XHXKWCSVVGQDQC-XYOKQWHBSA-N 0 0 163.195 2.431 10 30 AEEERN O[C@@H](C#CC1CC1)c1ccccc1 136715750 343982028 /nfs/dbraw/zinc/98/20/28/343982028.db2.gz WCVFJLOIFQKSJJ-LBPRGKRZSA-N 0 0 172.227 2.133 10 30 AEEERN C=CC[C@@H]([NH3+])c1scnc1C 136943333 343982819 /nfs/dbraw/zinc/98/28/19/343982819.db2.gz ACQRRSSHKNSCSB-SSDOTTSWSA-N 0 0 168.265 2.027 10 30 AEEERN C=CC[C@H]([NH3+])c1scnc1C 136943363 343982844 /nfs/dbraw/zinc/98/28/44/343982844.db2.gz ACQRRSSHKNSCSB-ZETCQYMHSA-N 0 0 168.265 2.027 10 30 AEEERN C=C[C@@H](O)c1cccc2ncccc12 136972290 343982904 /nfs/dbraw/zinc/98/29/04/343982904.db2.gz JXWFRARYLBLOBZ-GFCCVEGCSA-N 0 0 185.226 2.454 10 30 AEEERN CC(=O)C(=C(C)O)C(C)C 136961833 343982909 /nfs/dbraw/zinc/98/29/09/343982909.db2.gz YUJOPBIGNRRDHA-VURMDHGXSA-N 0 0 142.198 2.063 10 30 AEEERN N#C[C@H]1CCC[C@@H]1NOC1CCCC1 136996519 343983200 /nfs/dbraw/zinc/98/32/00/343983200.db2.gz HAJALFOPNDBVSI-KOLCDFICSA-N 0 0 194.278 2.142 10 30 AEEERN O=C1CCCC=C1c1ccoc1 137001723 343983227 /nfs/dbraw/zinc/98/32/27/343983227.db2.gz WOVIUUITADZNOC-UHFFFAOYSA-N 0 0 162.188 2.416 10 30 AEEERN N#C[C@@H]1CCC[C@H]1NOC1CCCC1 136996558 343983272 /nfs/dbraw/zinc/98/32/72/343983272.db2.gz HAJALFOPNDBVSI-GXSJLCMTSA-N 0 0 194.278 2.142 10 30 AEEERN C=CC(=O)c1ccc(C)nc1C 137153378 343983655 /nfs/dbraw/zinc/98/36/55/343983655.db2.gz KMASRTFOPZZFOC-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN CO/N=C(\C)c1ccc(OC)cc1 137071588 343983740 /nfs/dbraw/zinc/98/37/40/343983740.db2.gz VWKUDUNDAJKGEU-DHZHZOJOSA-N 0 0 179.219 2.066 10 30 AEEERN C=C[C@@H](O)CCOCc1ccccc1 137132176 343983805 /nfs/dbraw/zinc/98/38/05/343983805.db2.gz FSYFPYIMEHWSTG-GFCCVEGCSA-N 0 0 192.258 2.140 10 30 AEEERN C=CC(=O)CC1CCSCC1 137155944 343983859 /nfs/dbraw/zinc/98/38/59/343983859.db2.gz VBPGAAIWQSJGPE-UHFFFAOYSA-N 0 0 170.277 2.275 10 30 AEEERN C/C=C(\C)C[C@H](C)C=O 137208116 343984130 /nfs/dbraw/zinc/98/41/30/343984130.db2.gz QIGOHFLKAFHWDZ-IPWDFOCMSA-N 0 0 126.199 2.178 10 30 AEEERN Cc1cccc([C@H]2O[C@H]2C)c1 137224612 343984138 /nfs/dbraw/zinc/98/41/38/343984138.db2.gz QJHJKFWTGHYPPJ-WPRPVWTQSA-N 0 0 148.205 2.455 10 30 AEEERN CC1=C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O 137228021 343984161 /nfs/dbraw/zinc/98/41/61/343984161.db2.gz PKWXQQNDNFXJCA-XFWSIPNHSA-N 0 0 162.232 2.178 10 30 AEEERN C/C=C/C(=O)C=C(C)C 137174310 343984167 /nfs/dbraw/zinc/98/41/67/343984167.db2.gz NDIQNZBBNBMLMR-SNAWJCMRSA-N 0 0 124.183 2.098 10 30 AEEERN C=CC(=O)Cc1ccsc1 137156499 343984172 /nfs/dbraw/zinc/98/41/72/343984172.db2.gz OUVCPCZPUHBSNM-UHFFFAOYSA-N 0 0 152.218 2.046 10 30 AEEERN C/C=C/C(=O)C#Cc1ccccc1 137326267 343984561 /nfs/dbraw/zinc/98/45/61/343984561.db2.gz JVFQHXGHLZGVQY-QHHAFSJGSA-N 0 0 170.211 2.183 10 30 AEEERN C[C@@H](COCc1ccccc1)[C@H]1CO1 137298092 343984620 /nfs/dbraw/zinc/98/46/20/343984620.db2.gz IWLJFRXHIGWSEM-CMPLNLGQSA-N 0 0 192.258 2.238 10 30 AEEERN CCOc1cccc(C(=O)CC#N)c1 137396458 343985195 /nfs/dbraw/zinc/98/51/95/343985195.db2.gz GGJBZEJYEMKQJM-UHFFFAOYSA-N 0 0 189.214 2.182 10 30 AEEERN C=CCn1cc(-c2ccccc2)nn1 137543638 343985726 /nfs/dbraw/zinc/98/57/26/343985726.db2.gz BJPMNQRDWADWBN-UHFFFAOYSA-N 0 0 185.230 2.131 10 30 AEEERN C=CC(C)(C)NC(=O)OC(C)(C)C 137470966 343985807 /nfs/dbraw/zinc/98/58/07/343985807.db2.gz MQXYPUXSBGLOKY-UHFFFAOYSA-N 0 0 185.267 2.476 10 30 AEEERN C/C=C/C(=O)C(C)(C)C 137626724 343986345 /nfs/dbraw/zinc/98/63/45/343986345.db2.gz BSISGLSTYYYBJI-AATRIKPKSA-N 0 0 126.199 2.178 10 30 AEEERN C#CCC[C@@H](C)CC 137598820 343986509 /nfs/dbraw/zinc/98/65/09/343986509.db2.gz XZAXKNMXYFKSKY-QMMMGPOBSA-N 0 0 110.200 2.446 10 30 AEEERN C/C=C/C(=O)C1CCCC1 137803848 343986917 /nfs/dbraw/zinc/98/69/17/343986917.db2.gz ZKOMLMPRZDODQL-GORDUTHDSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)c1c(C)cc(C#N)cc1C 137809607 343986963 /nfs/dbraw/zinc/98/69/63/343986963.db2.gz HZQUAMCVQNXYTQ-UHFFFAOYSA-N 0 0 173.215 2.378 10 30 AEEERN Cc1cccc([C@@H]2O[C@H]2C)c1 137849955 343987117 /nfs/dbraw/zinc/98/71/17/343987117.db2.gz QJHJKFWTGHYPPJ-WCBMZHEXSA-N 0 0 148.205 2.455 10 30 AEEERN N#Cc1ccc(-c2ccc(N)cc2)nc1 137917974 343987196 /nfs/dbraw/zinc/98/71/96/343987196.db2.gz WPANFENVQVBRNO-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C(C)CC(=O)C(=C)C 137888373 343987316 /nfs/dbraw/zinc/98/73/16/343987316.db2.gz OVTCGEGPTDACTQ-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN C=C[C@H](C)Nc1cc[nH+]cc1 137905735 343987388 /nfs/dbraw/zinc/98/73/88/343987388.db2.gz HSEZBRURBVOXFU-QMMMGPOBSA-N 0 0 148.209 2.068 10 30 AEEERN C=C[C@@H](C)Nc1cc[nH+]cc1 137905828 343987395 /nfs/dbraw/zinc/98/73/95/343987395.db2.gz HSEZBRURBVOXFU-MRVPVSSYSA-N 0 0 148.209 2.068 10 30 AEEERN C=CC[C@@]1(C)O[C@H](C(C)(C)C)OC1=O 138047090 343988120 /nfs/dbraw/zinc/98/81/20/343988120.db2.gz MXUNIKRRTHGLCI-MWLCHTKSSA-N 0 0 198.262 2.267 10 30 AEEERN CSc1ccc(C#N)c(F)c1 138289461 343988368 /nfs/dbraw/zinc/98/83/68/343988368.db2.gz LKZYNWBZLPDDII-UHFFFAOYSA-N 0 0 167.208 2.419 10 30 AEEERN C=CC(=C)[C@@H](O)c1ccc(OC)cc1 138201501 343988555 /nfs/dbraw/zinc/98/85/55/343988555.db2.gz LWNMFZKMHCSGNS-GFCCVEGCSA-N 0 0 190.242 2.471 10 30 AEEERN C=CCC#CCC=C 138221037 343988559 /nfs/dbraw/zinc/98/85/59/343988559.db2.gz DDPFBQULOVGCQV-UHFFFAOYSA-N 0 0 106.168 2.142 10 30 AEEERN N#CC1CC=CCC=CC1 138171680 343988635 /nfs/dbraw/zinc/98/86/35/343988635.db2.gz YYGPRKVCZIGGQM-UHFFFAOYSA-N 0 0 133.194 2.422 10 30 AEEERN Cc1cc(C#Cc2ccccc2)n(C)n1 138442094 343989079 /nfs/dbraw/zinc/98/90/79/343989079.db2.gz HGTWKNHACOBSOL-UHFFFAOYSA-N 0 0 196.253 2.128 10 30 AEEERN C=C[C@@H](C)/C=C(\C)C(=O)OCC 138508823 343989266 /nfs/dbraw/zinc/98/92/66/343989266.db2.gz ADNUCBHLXCHUHX-KGOFQHAKSA-N 0 0 168.236 2.318 10 30 AEEERN C/C=C/C(=O)c1ccc2c(c1)OCO2 138519035 343989459 /nfs/dbraw/zinc/98/94/59/343989459.db2.gz VEKICCMQONBWOC-NSCUHMNNSA-N 0 0 190.198 2.174 10 30 AEEERN C#CC(C)(C)CCC 138647039 343989834 /nfs/dbraw/zinc/98/98/34/343989834.db2.gz MLRORDXAZGLTKK-UHFFFAOYSA-N 0 0 110.200 2.446 10 30 AEEERN COc1ccc(C(=O)C=CO)cc1F 138650145 343989948 /nfs/dbraw/zinc/98/99/48/343989948.db2.gz UBHCIIPCARKELS-PLNGDYQASA-N 0 0 196.177 2.089 10 30 AEEERN C=CCN1C[C@@H]1c1ccccc1 138805325 343990272 /nfs/dbraw/zinc/99/02/72/343990272.db2.gz OWYPEQHZORJGMM-JHJMLUEUSA-N 0 0 159.232 2.229 10 30 AEEERN C=CCN1C[C@H]1c1ccccc1 138805429 343990569 /nfs/dbraw/zinc/99/05/69/343990569.db2.gz OWYPEQHZORJGMM-PXYINDEMSA-N 0 0 159.232 2.229 10 30 AEEERN CC(=O)/C=C/C(=O)c1ccccc1 138804874 343990582 /nfs/dbraw/zinc/99/05/82/343990582.db2.gz VZZADINUWDBNEX-BQYQJAHWSA-N 0 0 174.199 2.015 10 30 AEEERN COc1cc(F)cc(CC#N)c1F 138829043 343990839 /nfs/dbraw/zinc/99/08/39/343990839.db2.gz PXSHJLGMSITNOP-UHFFFAOYSA-N 0 0 183.157 2.039 10 30 AEEERN C=CC[C@@H](OC)C(C)(C)C(C)=O 138844938 343990879 /nfs/dbraw/zinc/99/08/79/343990879.db2.gz ZTLSWXNQOOBFIU-SECBINFHSA-N 0 0 170.252 2.193 10 30 AEEERN C=C1CCC12CC2 139003149 343992217 /nfs/dbraw/zinc/99/22/17/343992217.db2.gz PEUOGYZGFUSFQB-UHFFFAOYSA-N 0 0 94.157 2.117 10 30 AEEERN CCCCCCC#C[C@H](C)O 139042618 343992668 /nfs/dbraw/zinc/99/26/68/343992668.db2.gz PGIQIBRWODQISW-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN CCCCCCC#C[C@@H](C)O 139042507 343992684 /nfs/dbraw/zinc/99/26/84/343992684.db2.gz PGIQIBRWODQISW-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN C=C[C@@H](C)N(O)Cc1ccccc1 139348618 343994104 /nfs/dbraw/zinc/99/41/04/343994104.db2.gz PJPFETIRPPFJFB-SNVBAGLBSA-N 0 0 177.247 2.452 10 30 AEEERN CC(=O)/C=C/c1ccccc1C#N 139344218 343994114 /nfs/dbraw/zinc/99/41/14/343994114.db2.gz FIFSLFPWGFHQQJ-VOTSOKGWSA-N 0 0 171.199 2.160 10 30 AEEERN Cc1ccc(C#N)c(C)c1C 139330943 343994121 /nfs/dbraw/zinc/99/41/21/343994121.db2.gz TXTISNNAUQWGPT-UHFFFAOYSA-N 0 0 145.205 2.484 10 30 AEEERN C=C[C@H](C)N(O)Cc1ccccc1 139348494 343994371 /nfs/dbraw/zinc/99/43/71/343994371.db2.gz PJPFETIRPPFJFB-JTQLQIEISA-N 0 0 177.247 2.452 10 30 AEEERN O=CCOc1cc(F)ccc1Cl 139574903 343995252 /nfs/dbraw/zinc/99/52/52/343995252.db2.gz HCBYNBISOKDXCR-UHFFFAOYSA-N 0 0 188.585 2.057 10 30 AEEERN C=CC(=O)C1(OC)CCCCC1 139458934 343994949 /nfs/dbraw/zinc/99/49/49/343994949.db2.gz SPFVFCPJBVMJEH-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C/C=C(\C)C(=O)C(F)(F)F 139429431 343994964 /nfs/dbraw/zinc/99/49/64/343994964.db2.gz JKVZQXNEFBIOPM-ONEGZZNKSA-N 0 0 152.115 2.084 10 30 AEEERN CC(C)(C)CC(C#N)C#N 139690148 343995789 /nfs/dbraw/zinc/99/57/89/343995789.db2.gz BNBTZMHFJCIQJA-UHFFFAOYSA-N 0 0 136.198 2.086 10 30 AEEERN CC(=O)/C=C/[C@H](C)C(C)C 139694849 343995862 /nfs/dbraw/zinc/99/58/62/343995862.db2.gz LJNTUYJXRDIJIV-GJIOHYHPSA-N 0 0 140.226 2.424 10 30 AEEERN C#Cc1c(Cl)cccc1[N+](=O)[O-] 139649705 343995897 /nfs/dbraw/zinc/99/58/97/343995897.db2.gz XTEJCNFJVOFPNP-UHFFFAOYSA-N 0 0 181.578 2.230 10 30 AEEERN C=C(C(=O)CC)C(F)(F)F 139704718 343995904 /nfs/dbraw/zinc/99/59/04/343995904.db2.gz XYEOEFGWMIMHKG-UHFFFAOYSA-N 0 0 152.115 2.084 10 30 AEEERN Cc1nn(Cc2ccccc2)cc1C#N 139727229 343996309 /nfs/dbraw/zinc/99/63/09/343996309.db2.gz RETDAWQEAZYLAZ-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN CC(C)Oc1ccc(C#N)cc1C=O 139869105 343996692 /nfs/dbraw/zinc/99/66/92/343996692.db2.gz GCJSINDVTSYEHZ-UHFFFAOYSA-N 0 0 189.214 2.158 10 30 AEEERN N#C[C@@H](F)CCc1ccccc1 139885076 343996806 /nfs/dbraw/zinc/99/68/06/343996806.db2.gz QONJSVZTQRVWTM-JTQLQIEISA-N 0 0 163.195 2.481 10 30 AEEERN N#C[C@H](F)CCc1ccccc1 139885208 343996847 /nfs/dbraw/zinc/99/68/47/343996847.db2.gz QONJSVZTQRVWTM-SNVBAGLBSA-N 0 0 163.195 2.481 10 30 AEEERN C=C(C)C(=O)Oc1ccccc1F 139907326 343996962 /nfs/dbraw/zinc/99/69/62/343996962.db2.gz KBHSYCDRICCRMQ-UHFFFAOYSA-N 0 0 180.178 2.307 10 30 AEEERN N#Cc1ccc(F)cc1OC(F)F 139963662 343997213 /nfs/dbraw/zinc/99/72/13/343997213.db2.gz NHULGJLESSCSTP-UHFFFAOYSA-N 0 0 187.120 2.299 10 30 AEEERN C=CC[C@@H](/C=C/C)OC(C)=O 140001851 343997216 /nfs/dbraw/zinc/99/72/16/343997216.db2.gz WJNDLVITMXGXFX-IWGCBNPKSA-N 0 0 154.209 2.070 10 30 AEEERN C=CC[C@H](/C=C/C)OC(C)=O 140001732 343997316 /nfs/dbraw/zinc/99/73/16/343997316.db2.gz WJNDLVITMXGXFX-VPIOIWJLSA-N 0 0 154.209 2.070 10 30 AEEERN C#Cc1ccc2c(c1)CCCN2 139993005 343997489 /nfs/dbraw/zinc/99/74/89/343997489.db2.gz NGCUYQBQSOUOFO-UHFFFAOYSA-N 0 0 157.216 2.026 10 30 AEEERN CC(C)/N=C\c1ccccc1O 140065298 343997826 /nfs/dbraw/zinc/99/78/26/343997826.db2.gz PHHCWZIPEJJCOE-XFFZJAGNSA-N 0 0 163.220 2.220 10 30 AEEERN CC1(C)CC(=S)C=C(O)C1 140188205 343998304 /nfs/dbraw/zinc/99/83/04/343998304.db2.gz LBEMJNQSXJQWTG-UHFFFAOYSA-N 0 0 156.250 2.189 10 30 AEEERN C#CCO[C@H](C)c1ccccc1 140155478 343998443 /nfs/dbraw/zinc/99/84/43/343998443.db2.gz XWMKODFYFWKQDM-SNVBAGLBSA-N 0 0 160.216 2.397 10 30 AEEERN C#CCO[C@@H](C)c1ccccc1 140155340 343998508 /nfs/dbraw/zinc/99/85/08/343998508.db2.gz XWMKODFYFWKQDM-JTQLQIEISA-N 0 0 160.216 2.397 10 30 AEEERN CCOC(=O)/C=C/C#CC(C)(C)C 140195982 343998874 /nfs/dbraw/zinc/99/88/74/343998874.db2.gz LKIMVAYHYHDJSP-SOFGYWHQSA-N 0 0 180.247 2.155 10 30 AEEERN Cc1cc(Cl)cc(N)c1C#N 140225925 343998886 /nfs/dbraw/zinc/99/88/86/343998886.db2.gz KGTHUFJGCDJAGW-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN C=CC[C@H](O)C[C@H](O)c1ccccc1 140231920 343999116 /nfs/dbraw/zinc/99/91/16/343999116.db2.gz XIBFDHGRGQMQBU-RYUDHWBXSA-N 0 0 192.258 2.047 10 30 AEEERN C#Cc1cc(Cl)ccc1O 140323894 343999368 /nfs/dbraw/zinc/99/93/68/343999368.db2.gz SBASRTBMXGVDGO-UHFFFAOYSA-N 0 0 152.580 2.027 10 30 AEEERN C=CC(=O)c1cccc(N(C)C)c1 140317949 343999467 /nfs/dbraw/zinc/99/94/67/343999467.db2.gz YBEWVVMYEJYPME-UHFFFAOYSA-N 0 0 175.231 2.121 10 30 AEEERN Cc1cc(C#N)cc(C)c1C 140277160 343999524 /nfs/dbraw/zinc/99/95/24/343999524.db2.gz RPAKHFOJNYHOOD-UHFFFAOYSA-N 0 0 145.205 2.484 10 30 AEEERN O=C[C@@H]1[C@H]2CCc3ccccc3[C@H]21 140432583 343999906 /nfs/dbraw/zinc/99/99/06/343999906.db2.gz QZCIXPNDMYQGNP-IJLUTSLNSA-N 0 0 172.227 2.161 10 30 AEEERN CC(C)C1(C(C)C)CO1 140451341 343999924 /nfs/dbraw/zinc/99/99/24/343999924.db2.gz CBDQRNWHULYCPA-UHFFFAOYSA-N 0 0 128.215 2.067 10 30 AEEERN CCc1ccc(C#N)c(N)c1CC 140442819 344000131 /nfs/dbraw/zinc/00/01/31/344000131.db2.gz AERPKAVOAXQNLX-UHFFFAOYSA-N 0 0 174.247 2.265 10 30 AEEERN C/C(=N\O)c1cc2ccccc2n1C 140495956 344000551 /nfs/dbraw/zinc/00/05/51/344000551.db2.gz ZLCSVDRCURJFQR-XYOKQWHBSA-N 0 0 188.230 2.377 10 30 AEEERN CC(=O)c1cc(F)c(C#N)cc1F 140493393 344000579 /nfs/dbraw/zinc/00/05/79/344000579.db2.gz QNYBMQHBGNQWKQ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN C=CC(=O)c1ccc(N(C)C)cc1 140767168 344001777 /nfs/dbraw/zinc/00/17/77/344001777.db2.gz XWGPLFGFPVPPCM-UHFFFAOYSA-N 0 0 175.231 2.121 10 30 AEEERN C[C@]12CCC(=O)C=C1CC[C@@H]2C#N 140841176 344002088 /nfs/dbraw/zinc/00/20/88/344002088.db2.gz UYIWKJSDHWEWLE-KOLCDFICSA-N 0 0 175.231 2.216 10 30 AEEERN O=C1C=C(NC2CCCC2)CCC1 140981175 344003069 /nfs/dbraw/zinc/00/30/69/344003069.db2.gz FFOCSUHSBNNNGA-UHFFFAOYSA-N 0 0 179.263 2.156 10 30 AEEERN CC[C@@H](C=O)COCc1ccccc1 141051563 344003612 /nfs/dbraw/zinc/00/36/12/344003612.db2.gz QZFQZBZUPLANKF-NSHDSACASA-N 0 0 192.258 2.428 10 30 AEEERN C=CC(=C)[C@H](O)c1ccc(OC)cc1 141047155 344003689 /nfs/dbraw/zinc/00/36/89/344003689.db2.gz LWNMFZKMHCSGNS-LBPRGKRZSA-N 0 0 190.242 2.471 10 30 AEEERN Cc1cnc(N=[N+]=[N-])nc1C 141451992 344005708 /nfs/dbraw/zinc/00/57/08/344005708.db2.gz BDECRFIIUALWSI-UHFFFAOYSA-N 0 0 149.157 2.035 10 30 AEEERN CCC(=O)/C=C/c1ccccc1C=O 141452691 344005852 /nfs/dbraw/zinc/00/58/52/344005852.db2.gz QARFJAKHNLNDDF-BQYQJAHWSA-N 0 0 188.226 2.491 10 30 AEEERN CSC1(/C=C/C(C)=O)CCC1 141408584 344005872 /nfs/dbraw/zinc/00/58/72/344005872.db2.gz PKBWPNOJHZURJK-QPJJXVBHSA-N 0 0 170.277 2.417 10 30 AEEERN CC1(CC=O)CCCC1 141431456 344005882 /nfs/dbraw/zinc/00/58/82/344005882.db2.gz OHVOYTTXSZBYHG-UHFFFAOYSA-N 0 0 126.199 2.156 10 30 AEEERN C=CC[C@H](O)c1ccc(C#N)c(F)c1 141488005 344006269 /nfs/dbraw/zinc/00/62/69/344006269.db2.gz IDYBRJRHMGCXMC-NSHDSACASA-N 0 0 191.205 2.307 10 30 AEEERN C=CC[C@@H](O)c1ccc(C#N)c(F)c1 141488198 344006293 /nfs/dbraw/zinc/00/62/93/344006293.db2.gz IDYBRJRHMGCXMC-LLVKDONJSA-N 0 0 191.205 2.307 10 30 AEEERN C#C[C@@H](C)[C@H](O)C1CCCCC1 141677091 344007457 /nfs/dbraw/zinc/00/74/57/344007457.db2.gz GAHZVYKRDVCITG-KOLCDFICSA-N 0 0 166.264 2.197 10 30 AEEERN CCC(=O)O[C@@H]1CCCC[C@H]1C#N 141790040 344008177 /nfs/dbraw/zinc/00/81/77/344008177.db2.gz DRYOZOASAFQLQX-DTWKUNHWSA-N 0 0 181.235 2.022 10 30 AEEERN CCC(=O)O[C@@H]1CCCC[C@@H]1C#N 141789620 344008218 /nfs/dbraw/zinc/00/82/18/344008218.db2.gz DRYOZOASAFQLQX-RKDXNWHRSA-N 0 0 181.235 2.022 10 30 AEEERN CCC(=O)O[C@H]1CCCC[C@@H]1C#N 141789822 344008265 /nfs/dbraw/zinc/00/82/65/344008265.db2.gz DRYOZOASAFQLQX-BDAKNGLRSA-N 0 0 181.235 2.022 10 30 AEEERN CCC(=O)O[C@H]1CCCC[C@H]1C#N 141790233 344008399 /nfs/dbraw/zinc/00/83/99/344008399.db2.gz DRYOZOASAFQLQX-IUCAKERBSA-N 0 0 181.235 2.022 10 30 AEEERN CC(C)(CCl)/C(Cl)=N\O 141854217 344008708 /nfs/dbraw/zinc/00/87/08/344008708.db2.gz SLXAEMSKOYOYSA-XBXARRHUSA-N 0 0 170.039 2.278 10 30 AEEERN C#C[C@]1(O)CCCCC12CCCC2 141897954 344008813 /nfs/dbraw/zinc/00/88/13/344008813.db2.gz HZBOLWCFRRROOT-LBPRGKRZSA-N 0 0 178.275 2.485 10 30 AEEERN C#C[C@@]1(O)CCCCC12CCCC2 141897717 344008862 /nfs/dbraw/zinc/00/88/62/344008862.db2.gz HZBOLWCFRRROOT-GFCCVEGCSA-N 0 0 178.275 2.485 10 30 AEEERN C=CCc1ccc2c(c1)OCC2 141929806 344009095 /nfs/dbraw/zinc/00/90/95/344009095.db2.gz VIHAHNHWAWJSPZ-UHFFFAOYSA-N 0 0 160.216 2.350 10 30 AEEERN C=CC(=O)C1=CC[C@@H](C)CC1 141955475 344009162 /nfs/dbraw/zinc/00/91/62/344009162.db2.gz VUZOGJYZVRPMGZ-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCC(CC=C)OC(C)=O 141921658 344009217 /nfs/dbraw/zinc/00/92/17/344009217.db2.gz GGOHGGVWCJPFTK-UHFFFAOYSA-N 0 0 154.209 2.070 10 30 AEEERN Cn1ccnc1C(=O)/C=C/C(C)(C)C 141944144 344009361 /nfs/dbraw/zinc/00/93/61/344009361.db2.gz DYXLIKSWSNHKBM-AATRIKPKSA-N 0 0 192.262 2.205 10 30 AEEERN Cc1csc(CC#N)c1 141972537 344009382 /nfs/dbraw/zinc/00/93/82/344009382.db2.gz JNSBBJZUNORAII-UHFFFAOYSA-N 0 0 137.207 2.123 10 30 AEEERN C=CC(=O)C1=CC[C@H](C)CC1 141955270 344009420 /nfs/dbraw/zinc/00/94/20/344009420.db2.gz VUZOGJYZVRPMGZ-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN C=C(C)CNc1nc(C)cc(C)n1 142031786 344009674 /nfs/dbraw/zinc/00/96/74/344009674.db2.gz FRTYEZJVAKPXQS-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN CC(C)C[C@H](C)[C@H]1CO1 142153974 344010182 /nfs/dbraw/zinc/01/01/82/344010182.db2.gz VMMHVVWPUNJIFP-JGVFFNPUSA-N 0 0 128.215 2.067 10 30 AEEERN CC(C)C[C@@H](C)[C@H]1CO1 142153764 344010331 /nfs/dbraw/zinc/01/03/31/344010331.db2.gz VMMHVVWPUNJIFP-HTQZYQBOSA-N 0 0 128.215 2.067 10 30 AEEERN CC(C)C[C@@H](C)[C@@H]1CO1 142153324 344010392 /nfs/dbraw/zinc/01/03/92/344010392.db2.gz VMMHVVWPUNJIFP-SFYZADRCSA-N 0 0 128.215 2.067 10 30 AEEERN C[C@H](CC=O)[C@H]1CC[C@@H](C)[C@H](C=O)C1 142145967 344010418 /nfs/dbraw/zinc/01/04/18/344010418.db2.gz WPTXUPNYRLEFLZ-WYUUTHIRSA-N 0 0 196.290 2.463 10 30 AEEERN C[C@@H](CC=O)[C@H]1CC[C@@H](C)[C@H](C=O)C1 142145779 344010426 /nfs/dbraw/zinc/01/04/26/344010426.db2.gz WPTXUPNYRLEFLZ-RHYQMDGZSA-N 0 0 196.290 2.463 10 30 AEEERN CCCC(=N\O)/C(CCC)=N/O 142189407 344010936 /nfs/dbraw/zinc/01/09/36/344010936.db2.gz WXRLRVISPKDAAE-FIFLTTCUSA-N 0 0 172.228 2.247 10 30 AEEERN O/N=C/c1cc2ccccc2cn1 142211665 344010979 /nfs/dbraw/zinc/01/09/79/344010979.db2.gz TUFCHPPARHHJQA-KPKJPENVSA-N 0 0 172.187 2.043 10 30 AEEERN CC(C)(C)/N=C/C(=O)C(C)(C)C 142308021 344011232 /nfs/dbraw/zinc/01/12/32/344011232.db2.gz WTQMPNHQSGDBTA-YRNVUSSQSA-N 0 0 169.268 2.471 10 30 AEEERN C/C=C/C(=O)c1ccco1 142299451 344011265 /nfs/dbraw/zinc/01/12/65/344011265.db2.gz MBPQFJYWPJZUDP-DUXPYHPUSA-N 0 0 136.150 2.038 10 30 AEEERN C=C[C@@]1(O)CCCc2sccc21 142305781 344011424 /nfs/dbraw/zinc/01/14/24/344011424.db2.gz KUJCNPUQFWUEEX-SNVBAGLBSA-N 0 0 180.272 2.458 10 30 AEEERN C=C[C@]1(O)CCCc2sccc21 142305946 344011446 /nfs/dbraw/zinc/01/14/46/344011446.db2.gz KUJCNPUQFWUEEX-JTQLQIEISA-N 0 0 180.272 2.458 10 30 AEEERN Cc1ccc(F)c(C)c1C#N 142412514 344012303 /nfs/dbraw/zinc/01/23/03/344012303.db2.gz UTYANFITKFSHSJ-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN CCc1ccc(C#N)c(F)c1F 142418694 344012609 /nfs/dbraw/zinc/01/26/09/344012609.db2.gz FLORZOWXMFCIOM-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN Cc1cc(F)c(C)c(C#N)c1 142405450 344012623 /nfs/dbraw/zinc/01/26/23/344012623.db2.gz ZKHUOOSRCSFKCB-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN C=C(C)[C@@]1(C=O)CC=CCC1 142590062 344013302 /nfs/dbraw/zinc/01/33/02/344013302.db2.gz RYFTZGITMYBDHI-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN N#Cc1ccc([C@@H]2CCCO2)cc1 142583122 344013409 /nfs/dbraw/zinc/01/34/09/344013409.db2.gz RCQGAEQXFULNDU-NSHDSACASA-N 0 0 173.215 2.410 10 30 AEEERN C=C(C)[C@]1(C=O)CC=CCC1 142590278 344013448 /nfs/dbraw/zinc/01/34/48/344013448.db2.gz RYFTZGITMYBDHI-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN N#Cc1ccc([C@H]2CCCO2)cc1 142583337 344013478 /nfs/dbraw/zinc/01/34/78/344013478.db2.gz RCQGAEQXFULNDU-LLVKDONJSA-N 0 0 173.215 2.410 10 30 AEEERN N#CCc1cc(N)c(F)cc1Cl 142762222 344014174 /nfs/dbraw/zinc/01/41/74/344014174.db2.gz OGFVQFUONFUOEC-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN C=CCc1cc([N+](=O)[O-])ccc1OC 142853675 344015102 /nfs/dbraw/zinc/01/51/02/344015102.db2.gz GSGTVCLGXRUFIK-UHFFFAOYSA-N 0 0 193.202 2.332 10 30 AEEERN N#Cc1ccc(O)c(C2CC2)c1 142822710 344015377 /nfs/dbraw/zinc/01/53/77/344015377.db2.gz KDDDGTVMLIZUHI-UHFFFAOYSA-N 0 0 159.188 2.141 10 30 AEEERN C#Cc1c[nH]c2cc(F)ccc12 142912673 344015704 /nfs/dbraw/zinc/01/57/04/344015704.db2.gz YJTJIZKPGWWFDM-UHFFFAOYSA-N 0 0 159.163 2.288 10 30 AEEERN COc1ccc(C)c(CC#N)c1C 142918738 344015932 /nfs/dbraw/zinc/01/59/32/344015932.db2.gz CTMVZWFCBXPJRQ-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN N#CCc1cccc(Cl)c1[N+](=O)[O-] 142963287 344016071 /nfs/dbraw/zinc/01/60/71/344016071.db2.gz WYXXEPGTXNKNTF-UHFFFAOYSA-N 0 0 196.593 2.314 10 30 AEEERN CC(C)[C@H]1CC[C@](C)(CC#N)O1 143045972 344016610 /nfs/dbraw/zinc/01/66/10/344016610.db2.gz AFWHMVTTYMQCQP-NXEZZACHSA-N 0 0 167.252 2.494 10 30 AEEERN CCc1ccc(C#N)c(OC)c1F 143077279 344016677 /nfs/dbraw/zinc/01/66/77/344016677.db2.gz DQQXDGCKYNTEKR-UHFFFAOYSA-N 0 0 179.194 2.268 10 30 AEEERN CC(C)[C@@H]1CC[C@](C)(CC#N)O1 143045779 344016705 /nfs/dbraw/zinc/01/67/05/344016705.db2.gz AFWHMVTTYMQCQP-VHSXEESVSA-N 0 0 167.252 2.494 10 30 AEEERN CC(C)[C@@H]1CC[C@@](C)(CC#N)O1 143045354 344016727 /nfs/dbraw/zinc/01/67/27/344016727.db2.gz AFWHMVTTYMQCQP-UWVGGRQHSA-N 0 0 167.252 2.494 10 30 AEEERN CC(C)[C@H]1CC[C@@](C)(CC#N)O1 143045589 344016751 /nfs/dbraw/zinc/01/67/51/344016751.db2.gz AFWHMVTTYMQCQP-ZJUUUORDSA-N 0 0 167.252 2.494 10 30 AEEERN C#CCOP(=O)(CC=C)CC=C 143133615 344017189 /nfs/dbraw/zinc/01/71/89/344017189.db2.gz XKNZMAJRPYCQMW-UHFFFAOYSA-N 0 0 184.175 2.286 10 30 AEEERN C=C(C)C[C@@]1(C#N)CCCC1=O 143193295 344017283 /nfs/dbraw/zinc/01/72/83/344017283.db2.gz VASRCCXUTNSUMR-SNVBAGLBSA-N 0 0 163.220 2.216 10 30 AEEERN C=C(C)C[C@]1(C#N)CCCC1=O 143193086 344017331 /nfs/dbraw/zinc/01/73/31/344017331.db2.gz VASRCCXUTNSUMR-JTQLQIEISA-N 0 0 163.220 2.216 10 30 AEEERN C/C=C/C[C@@]1(C#N)CCCC1=O 143193722 344017389 /nfs/dbraw/zinc/01/73/89/344017389.db2.gz DRJLAZLHHATQIJ-PBKGFPTLSA-N 0 0 163.220 2.216 10 30 AEEERN C/C=C/C[C@]1(C#N)CCCC1=O 143193505 344017442 /nfs/dbraw/zinc/01/74/42/344017442.db2.gz DRJLAZLHHATQIJ-VMZHVLLKSA-N 0 0 163.220 2.216 10 30 AEEERN C=CC(=O)c1cncc(Cl)c1 143260685 344017641 /nfs/dbraw/zinc/01/76/41/344017641.db2.gz OSQYSZTUNCUBSH-UHFFFAOYSA-N 0 0 167.595 2.104 10 30 AEEERN C=CCC(C(C)=O)=C(C)C 143265335 344017725 /nfs/dbraw/zinc/01/77/25/344017725.db2.gz SSAHUEQEXQWSIL-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=CC1(OC)CCCC1 143354057 344018139 /nfs/dbraw/zinc/01/81/39/344018139.db2.gz XQRQVXWUAHHWST-UHFFFAOYSA-N 0 0 126.199 2.132 10 30 AEEERN CNN=C1C2CC3CC(C2)CC1C3 143382083 344018788 /nfs/dbraw/zinc/01/87/88/344018788.db2.gz NEXCMWOGRDEQLI-UHFFFAOYSA-N 0 0 178.279 2.018 10 30 AEEERN O/N=C(\Cl)c1cc(F)ccc1F 143460805 344019316 /nfs/dbraw/zinc/01/93/16/344019316.db2.gz PXRLGSJCAKWBHC-XFFZJAGNSA-N 0 0 191.564 2.339 10 30 AEEERN CCSc1ccncc1C#N 143567974 344020191 /nfs/dbraw/zinc/02/01/91/344020191.db2.gz WTAFHXRMCXKWBX-UHFFFAOYSA-N 0 0 164.233 2.065 10 30 AEEERN CC1=C(Cl)C=CC(=O)[C@]1(C)F 143687344 344021458 /nfs/dbraw/zinc/02/14/58/344021458.db2.gz CYPZYPXKAQAKOM-MRVPVSSYSA-N 0 0 174.602 2.366 10 30 AEEERN C=C1COC2(CCCCC2)O1 143701346 344021468 /nfs/dbraw/zinc/02/14/68/344021468.db2.gz UHNGDKQRSCBIJQ-UHFFFAOYSA-N 0 0 154.209 2.207 10 30 AEEERN C=CCOc1cccc(N)c1Cl 143705598 344021548 /nfs/dbraw/zinc/02/15/48/344021548.db2.gz KGLWYGRWEMJCBH-UHFFFAOYSA-N 0 0 183.638 2.487 10 30 AEEERN C=CCOc1cc(C)cc(O)c1 143704536 344021576 /nfs/dbraw/zinc/02/15/76/344021576.db2.gz YTJNXEJCYCCNSI-UHFFFAOYSA-N 0 0 164.204 2.265 10 30 AEEERN C=C(C)COC1CCC(=O)CC1 143855292 344022410 /nfs/dbraw/zinc/02/24/10/344022410.db2.gz VBISRPLFIXVQKZ-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C=C[C@](C)(O)CC/C=C/C 143878585 344022850 /nfs/dbraw/zinc/02/28/50/344022850.db2.gz PDINYISWXKFNMX-DNQSNQRASA-N 0 0 140.226 2.280 10 30 AEEERN C=C[C@@](C)(O)CC/C=C/C 143878790 344022856 /nfs/dbraw/zinc/02/28/56/344022856.db2.gz PDINYISWXKFNMX-OTQAPUNGSA-N 0 0 140.226 2.280 10 30 AEEERN C#CCCCOc1ccc(C=O)cc1 143929441 344023576 /nfs/dbraw/zinc/02/35/76/344023576.db2.gz HGBWQFLZWHVVAE-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN C=CC[C@H](CCC)OCOC 144002669 344023699 /nfs/dbraw/zinc/02/36/99/344023699.db2.gz PPUPHYNOZAWZJX-SECBINFHSA-N 0 0 158.241 2.352 10 30 AEEERN C[C@@H]1c2ccccc2CN1CC#N 144065418 344023923 /nfs/dbraw/zinc/02/39/23/344023923.db2.gz LYBGATCBDXCWFK-SECBINFHSA-N 0 0 172.231 2.087 10 30 AEEERN C=C(C)CNc1ccccc1N 144092330 344024630 /nfs/dbraw/zinc/02/46/30/344024630.db2.gz OFJYJIHLDPJJFJ-UHFFFAOYSA-N 0 0 162.236 2.257 10 30 AEEERN CC(C)CC1CC(C=O)C1 144110230 344024640 /nfs/dbraw/zinc/02/46/40/344024640.db2.gz FHUKMPWLYPWDJC-UHFFFAOYSA-N 0 0 140.226 2.258 10 30 AEEERN C#CCCP(=O)(OCC)OCC 144156589 344024962 /nfs/dbraw/zinc/02/49/62/344024962.db2.gz ZBRISROXQCEQPO-UHFFFAOYSA-N 0 0 190.179 2.276 10 30 AEEERN O=CCc1cccc(-c2ccccn2)c1 144163041 344025003 /nfs/dbraw/zinc/02/50/03/344025003.db2.gz YATGZQOYOSZIBG-UHFFFAOYSA-N 0 0 197.237 2.490 10 30 AEEERN Cc1c(N)cc(CC#N)cc1Cl 144173489 344025214 /nfs/dbraw/zinc/02/52/14/344025214.db2.gz VKDQKLJDHLFXRI-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1ccc(-n2cccc2C#N)nc1 144233885 344025528 /nfs/dbraw/zinc/02/55/28/344025528.db2.gz ABPQIHZJQOBQOV-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN C=CC(=O)c1ccc(C)cc1OC 144249531 344025816 /nfs/dbraw/zinc/02/58/16/344025816.db2.gz HHJYPKSLIBURNT-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN N#CC1(Nc2ccccc2)CC1 144577278 344027952 /nfs/dbraw/zinc/02/79/52/344027952.db2.gz HKTSAZCQEPZDCN-UHFFFAOYSA-N 0 0 158.204 2.155 10 30 AEEERN CCCCC#C/C=C/C(C)=O 144632528 344028304 /nfs/dbraw/zinc/02/83/04/344028304.db2.gz XLYBQHKPXGMSML-CMDGGOBGSA-N 0 0 150.221 2.325 10 30 AEEERN CCC(=CC(C)=O)CC 144678596 344028476 /nfs/dbraw/zinc/02/84/76/344028476.db2.gz RKEFWJIENZDELU-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN C#CCCC[C@@H]1CCCC1=O 144631892 344028564 /nfs/dbraw/zinc/02/85/64/344028564.db2.gz AMRPCZIAGNDBDW-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN C#CCCC[C@H]1CCCC1=O 144632083 344028575 /nfs/dbraw/zinc/02/85/75/344028575.db2.gz AMRPCZIAGNDBDW-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN CC(C)Oc1cc(C#N)cc(Cl)n1 144637185 344028621 /nfs/dbraw/zinc/02/86/21/344028621.db2.gz PJPUJFRFYGAWKQ-UHFFFAOYSA-N 0 0 196.637 2.394 10 30 AEEERN CC(C)[C@H]1CCC(O)=C(C=O)C1 144716306 344028859 /nfs/dbraw/zinc/02/88/59/344028859.db2.gz LBJMBHNJGLZGSO-HWPCKVLBSA-N 0 0 168.236 2.454 10 30 AEEERN Cc1cc(C#N)cc(NC(C)C)n1 144692667 344029015 /nfs/dbraw/zinc/02/90/15/344029015.db2.gz QBIGGAFEEWUYNA-UHFFFAOYSA-N 0 0 175.235 2.082 10 30 AEEERN CC(C)[C@@H]1CCC(O)=C(C=O)C1 144716123 344029134 /nfs/dbraw/zinc/02/91/34/344029134.db2.gz LBJMBHNJGLZGSO-WSQKDGNHSA-N 0 0 168.236 2.454 10 30 AEEERN C=C=CC(=O)c1ccccc1 144783803 344029242 /nfs/dbraw/zinc/02/92/42/344029242.db2.gz UAAMQNHATHJDRL-UHFFFAOYSA-N 0 0 144.173 2.210 10 30 AEEERN N#Cc1cc(N)c(F)cc1C1CC1 144889268 344029847 /nfs/dbraw/zinc/02/98/47/344029847.db2.gz YPYMHDMWIKDXBA-UHFFFAOYSA-N 0 0 176.194 2.157 10 30 AEEERN CC(C)N/N=C/c1ccccc1 144828495 344029875 /nfs/dbraw/zinc/02/98/75/344029875.db2.gz BOBFBVDQVKTCJH-DHZHZOJOSA-N 0 0 162.236 2.019 10 30 AEEERN c1ccc(C2CC3(CO3)C2)cc1 145064424 344030862 /nfs/dbraw/zinc/03/08/62/344030862.db2.gz CSBBFAHZOGXGJK-UHFFFAOYSA-N 0 0 160.216 2.333 10 30 AEEERN Cc1ccc(F)c(C(=O)CC#N)c1F 145157575 344031205 /nfs/dbraw/zinc/03/12/05/344031205.db2.gz WXDHAMXHMMITMV-UHFFFAOYSA-N 0 0 195.168 2.370 10 30 AEEERN C=C(C)C(=O)Oc1cccc(OC)c1 145174652 344031243 /nfs/dbraw/zinc/03/12/43/344031243.db2.gz NCPCSICMICIMCE-UHFFFAOYSA-N 0 0 192.214 2.177 10 30 AEEERN C=C1CCCC[C@@H]1F 145216741 344031745 /nfs/dbraw/zinc/03/17/45/344031745.db2.gz KUTVNGMQVMHBNS-ZETCQYMHSA-N 0 0 114.163 2.455 10 30 AEEERN C=C1CCCC[C@H]1F 145216955 344031965 /nfs/dbraw/zinc/03/19/65/344031965.db2.gz KUTVNGMQVMHBNS-SSDOTTSWSA-N 0 0 114.163 2.455 10 30 AEEERN C=C(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]2C1 145453089 344033387 /nfs/dbraw/zinc/03/33/87/344033387.db2.gz VJCJFHXSPMGNOA-XWLWVQCSSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)c1c(C)noc1C 145496267 344033947 /nfs/dbraw/zinc/03/39/47/344033947.db2.gz SDQYQZAKABWYJG-UHFFFAOYSA-N 0 0 137.182 2.325 10 30 AEEERN N#C[C@H](S)c1ccccc1 145472067 344034016 /nfs/dbraw/zinc/03/40/16/344034016.db2.gz ZZODFLOTAREYIZ-QMMMGPOBSA-N 0 0 149.218 2.181 10 30 AEEERN N#C[C@@H](S)c1ccccc1 145471871 344034077 /nfs/dbraw/zinc/03/40/77/344034077.db2.gz ZZODFLOTAREYIZ-MRVPVSSYSA-N 0 0 149.218 2.181 10 30 AEEERN CC#CCN1CCCc2ccccc21 145625057 344034346 /nfs/dbraw/zinc/03/43/46/344034346.db2.gz CKWXSWKJRWKEFU-UHFFFAOYSA-N 0 0 185.270 2.463 10 30 AEEERN C=CCc1cc(C#N)c(F)cc1OC 145601056 344034484 /nfs/dbraw/zinc/03/44/84/344034484.db2.gz JZRIZIDCZWFDPP-UHFFFAOYSA-N 0 0 191.205 2.434 10 30 AEEERN C/C=C1/CCC[C@H](C)C1=O 145682830 344034969 /nfs/dbraw/zinc/03/49/69/344034969.db2.gz IKRXXNXPWZLZLP-UGWYQVJNSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C1/CCC[C@@H](C)C1=O 145682655 344035020 /nfs/dbraw/zinc/03/50/20/344035020.db2.gz IKRXXNXPWZLZLP-KVNNJZLQSA-N 0 0 138.210 2.322 10 30 AEEERN C=CCc1cc(F)c2c(c1)COC2=O 145770087 344035402 /nfs/dbraw/zinc/03/54/02/344035402.db2.gz VQBNDXMOHGZMBS-UHFFFAOYSA-N 0 0 192.189 2.225 10 30 AEEERN CC/C(=N\O)c1ccccc1F 145744437 344035425 /nfs/dbraw/zinc/03/54/25/344035425.db2.gz PNZIPKLMUNRMOZ-PKNBQFBNSA-N 0 0 167.183 2.414 10 30 AEEERN N#CCC(=O)[C@@H]1C[C@@H]1c1ccccc1 145727856 344035500 /nfs/dbraw/zinc/03/55/00/344035500.db2.gz LKMDBVHQUZFJPE-GHMZBOCLSA-N 0 0 185.226 2.273 10 30 AEEERN N#CCC(=O)[C@H]1C[C@@H]1c1ccccc1 145728051 344035569 /nfs/dbraw/zinc/03/55/69/344035569.db2.gz LKMDBVHQUZFJPE-MNOVXSKESA-N 0 0 185.226 2.273 10 30 AEEERN N#CCC(=O)[C@H]1C[C@H]1c1ccccc1 145728452 344035606 /nfs/dbraw/zinc/03/56/06/344035606.db2.gz LKMDBVHQUZFJPE-QWRGUYRKSA-N 0 0 185.226 2.273 10 30 AEEERN CC/C(=N\O)c1cccc(F)c1 145744803 344035698 /nfs/dbraw/zinc/03/56/98/344035698.db2.gz DNPJDZTWNQQWAE-PKNBQFBNSA-N 0 0 167.183 2.414 10 30 AEEERN N#CCC(=O)[C@@H]1C[C@H]1c1ccccc1 145728259 344035747 /nfs/dbraw/zinc/03/57/47/344035747.db2.gz LKMDBVHQUZFJPE-WDEREUQCSA-N 0 0 185.226 2.273 10 30 AEEERN C=CCOc1cc(CO)ccc1Cl 145788370 344036070 /nfs/dbraw/zinc/03/60/70/344036070.db2.gz LPHNJUXDXUEWOO-UHFFFAOYSA-N 0 0 198.649 2.397 10 30 AEEERN C/C(Cc1cccs1)=N\O 146205426 344039469 /nfs/dbraw/zinc/03/94/69/344039469.db2.gz QYNWTPJWJGFJBV-SOFGYWHQSA-N 0 0 155.222 2.141 10 30 AEEERN Fc1cc(F)c([C@H]2CO2)cc1F 145874537 344036714 /nfs/dbraw/zinc/03/67/14/344036714.db2.gz ZTRSNHZVUGLPFN-MRVPVSSYSA-N 0 0 174.121 2.175 10 30 AEEERN Cc1cc(C#N)cc(OC(F)F)c1 145868031 344036734 /nfs/dbraw/zinc/03/67/34/344036734.db2.gz NJIBOKYNTUQRIU-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN Fc1cc(F)c([C@@H]2CO2)cc1F 145874335 344036739 /nfs/dbraw/zinc/03/67/39/344036739.db2.gz ZTRSNHZVUGLPFN-QMMMGPOBSA-N 0 0 174.121 2.175 10 30 AEEERN C=C(C)CC/C=C(\C)CO 145888644 344036798 /nfs/dbraw/zinc/03/67/98/344036798.db2.gz XVPKRXZSOKBWBA-RMKNXTFCSA-N 0 0 140.226 2.281 10 30 AEEERN O=CC1C[C@H]2CC[C@@H](C1)C2 145914379 344037046 /nfs/dbraw/zinc/03/70/46/344037046.db2.gz TXPLHPRTKZXDOA-JVHMLUBASA-N 0 0 138.210 2.012 10 30 AEEERN N#CCc1ccc2ccccc2c1N 145966670 344037142 /nfs/dbraw/zinc/03/71/42/344037142.db2.gz JKORIPZVUJXMCW-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN C=CCc1ccc2c(c1F)COC2=O 145947534 344037379 /nfs/dbraw/zinc/03/73/79/344037379.db2.gz XKAAXHVJMUFKAH-UHFFFAOYSA-N 0 0 192.189 2.225 10 30 AEEERN C=C(C)C(F)(F)Cl 146045954 344037653 /nfs/dbraw/zinc/03/76/53/344037653.db2.gz KXEKGCMKKQFONQ-UHFFFAOYSA-N 0 0 126.533 2.394 10 30 AEEERN Cc1ccc(COCC#N)cc1 146026466 344037893 /nfs/dbraw/zinc/03/78/93/344037893.db2.gz GABKYTKTHXQIFO-UHFFFAOYSA-N 0 0 161.204 2.035 10 30 AEEERN N#C[C@@H](N)c1ccc2ccsc2c1 146066036 344038223 /nfs/dbraw/zinc/03/82/23/344038223.db2.gz AWMYPJKDKJGKHL-SECBINFHSA-N 0 0 188.255 2.425 10 30 AEEERN C=C(CCCC)COC(C)=O 146086476 344038336 /nfs/dbraw/zinc/03/83/36/344038336.db2.gz WCDHOYPCUBOFMS-UHFFFAOYSA-N 0 0 156.225 2.296 10 30 AEEERN C=CCCC(=O)N1CCCCCC1 146153687 344039035 /nfs/dbraw/zinc/03/90/35/344039035.db2.gz DCRYYVGDPFUCFW-UHFFFAOYSA-N 0 0 181.279 2.355 10 30 AEEERN N#CCc1cccc(N2CCCC2)c1 146211292 344039488 /nfs/dbraw/zinc/03/94/88/344039488.db2.gz SPXDDNVWJWKURY-UHFFFAOYSA-N 0 0 186.258 2.353 10 30 AEEERN C/C(Cc1cccs1)=N/O 146205615 344039512 /nfs/dbraw/zinc/03/95/12/344039512.db2.gz QYNWTPJWJGFJBV-VURMDHGXSA-N 0 0 155.222 2.141 10 30 AEEERN N#CC1(c2ccc(O)cc2)CCC1 146255034 344040151 /nfs/dbraw/zinc/04/01/51/344040151.db2.gz HGVFOEOKKSUVTQ-UHFFFAOYSA-N 0 0 173.215 2.337 10 30 AEEERN C=CCOc1cccc2c1cnn2C 146464516 344040914 /nfs/dbraw/zinc/04/09/14/344040914.db2.gz BKXJEHOKISGTOS-UHFFFAOYSA-N 0 0 188.230 2.138 10 30 AEEERN CC(C)Cc1cncc(C#N)c1 146373044 344040955 /nfs/dbraw/zinc/04/09/55/344040955.db2.gz RPIPGENOXHUEKA-UHFFFAOYSA-N 0 0 160.220 2.152 10 30 AEEERN C=Cc1cc(OC)c(OC)cc1C#N 146621661 344041304 /nfs/dbraw/zinc/04/13/04/344041304.db2.gz PAZGDYIXPRVTRU-UHFFFAOYSA-N 0 0 189.214 2.218 10 30 AEEERN CC(C)(C)C#Cc1ccccn1 146515478 344041542 /nfs/dbraw/zinc/04/15/42/344041542.db2.gz QQCCTAGBJJQBNB-UHFFFAOYSA-N 0 0 159.232 2.479 10 30 AEEERN C=CC(=O)c1cc(O)c(C=C)c(O)c1 146785880 344041852 /nfs/dbraw/zinc/04/18/52/344041852.db2.gz QAGIVTHDLDACON-UHFFFAOYSA-N 0 0 190.198 2.110 10 30 AEEERN C=Cc1cc(OC)ccc1C#N 146676447 344041855 /nfs/dbraw/zinc/04/18/55/344041855.db2.gz DOASVRIVJUGAKP-UHFFFAOYSA-N 0 0 159.188 2.210 10 30 AEEERN C=C[C@@H]1O[C@H]1C/C=C\CC 146797922 344041915 /nfs/dbraw/zinc/04/19/15/344041915.db2.gz VHMLVZIHRYCIMG-CHVDZCGESA-N 0 0 138.210 2.296 10 30 AEEERN C=Cc1cc(OC)cc(OC)c1C#N 146663602 344042015 /nfs/dbraw/zinc/04/20/15/344042015.db2.gz OVGOQBXLCJHUFF-UHFFFAOYSA-N 0 0 189.214 2.218 10 30 AEEERN N#CCC1Cc2ccccc2C1 146758608 344042156 /nfs/dbraw/zinc/04/21/56/344042156.db2.gz XESHHWABVSASDJ-UHFFFAOYSA-N 0 0 157.216 2.315 10 30 AEEERN N#CCC(=O)OCC1CCCCC1 146852626 344042675 /nfs/dbraw/zinc/04/26/75/344042675.db2.gz IZRNRLYFLDNQJI-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN CC#Cc1c(N)ccc(F)c1Cl 147102781 344043045 /nfs/dbraw/zinc/04/30/45/344043045.db2.gz TZAFFNHIHSSOTN-UHFFFAOYSA-N 0 0 183.613 2.433 10 30 AEEERN N#CCc1cccc(-c2ncccn2)c1 147013604 344043349 /nfs/dbraw/zinc/04/33/49/344043349.db2.gz RPORBRKHUHEDMS-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN CO/N=C(/C)C#Cc1ccccc1 147439684 344044086 /nfs/dbraw/zinc/04/40/86/344044086.db2.gz BPILQAFHYANRLL-BENRWUELSA-N 0 0 173.215 2.060 10 30 AEEERN C[C@H](O)C#CCCc1ccccc1 147479328 344044225 /nfs/dbraw/zinc/04/42/25/344044225.db2.gz XLMQVXSTGPAUNQ-NSHDSACASA-N 0 0 174.243 2.003 10 30 AEEERN C#Cc1ncc(Br)cc1C 147412714 344044256 /nfs/dbraw/zinc/04/42/56/344044256.db2.gz ABISNOCDPVMLFT-UHFFFAOYSA-N 0 0 196.047 2.134 10 30 AEEERN C[C@@H](O)C#CCCc1ccccc1 147479537 344044353 /nfs/dbraw/zinc/04/43/53/344044353.db2.gz XLMQVXSTGPAUNQ-LLVKDONJSA-N 0 0 174.243 2.003 10 30 AEEERN C=Cc1cccc(OCC#N)c1 147703728 344044744 /nfs/dbraw/zinc/04/47/44/344044744.db2.gz WUVWNIYPNYJNCY-UHFFFAOYSA-N 0 0 159.188 2.232 10 30 AEEERN CCc1cc(CC#N)ccc1[N+](=O)[O-] 147713875 344044946 /nfs/dbraw/zinc/04/49/46/344044946.db2.gz CSHBADOEITXWGW-UHFFFAOYSA-N 0 0 190.202 2.223 10 30 AEEERN OCCCC1[C@@H]2CCC#CCC[C@@H]12 147881481 344045441 /nfs/dbraw/zinc/04/54/41/344045441.db2.gz BMXIEYMYPNSRGD-GHMZBOCLSA-N 0 0 178.275 2.199 10 30 AEEERN OCCCC1[C@H]2CCC#CCC[C@H]12 147881861 344045524 /nfs/dbraw/zinc/04/55/24/344045524.db2.gz BMXIEYMYPNSRGD-QWRGUYRKSA-N 0 0 178.275 2.199 10 30 AEEERN N#CCc1c(F)cc(F)c(F)c1F 148011006 344046869 /nfs/dbraw/zinc/04/68/69/344046869.db2.gz BKKLDBUXXFVHFW-UHFFFAOYSA-N 0 0 189.111 2.309 10 30 AEEERN c1ccc(CO[C@@H]2CC[C@@H]3O[C@@H]32)cc1 148060826 344047006 /nfs/dbraw/zinc/04/70/06/344047006.db2.gz HNLHTEPZSOZJND-GRYCIOLGSA-N 0 0 190.242 2.133 10 30 AEEERN N#Cc1cc(F)cc(CS)c1 148054675 344047444 /nfs/dbraw/zinc/04/74/44/344047444.db2.gz WXTHXJRPDPPWNP-UHFFFAOYSA-N 0 0 167.208 2.127 10 30 AEEERN SCc1cc(Cl)ccn1 148092807 344047800 /nfs/dbraw/zinc/04/78/00/344047800.db2.gz JRTKJIYGJCUZBB-UHFFFAOYSA-N 0 0 159.641 2.165 10 30 AEEERN Cc1cc(C#N)cc(F)c1C 148142461 344048516 /nfs/dbraw/zinc/04/85/16/344048516.db2.gz AQIHNJAIIPVIIT-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN Cc1cccc(C#N)c1N1CCC1 148127402 344048584 /nfs/dbraw/zinc/04/85/84/344048584.db2.gz QWMBMARCSRGNAC-UHFFFAOYSA-N 0 0 172.231 2.077 10 30 AEEERN Cc1ncc(C#N)cc1C(F)(F)F 148117663 344048606 /nfs/dbraw/zinc/04/86/06/344048606.db2.gz ZDGUZXQPBVKTMY-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN OCCCCC#Cc1ccc(F)cc1 148281024 344051828 /nfs/dbraw/zinc/05/18/28/344051828.db2.gz XWXJRJMXFALUQU-UHFFFAOYSA-N 0 0 192.233 2.340 10 30 AEEERN C=CC[C@@H]1CCO[C@@]2(CCOC2)C1 148284205 344051870 /nfs/dbraw/zinc/05/18/70/344051870.db2.gz WHIGQVDXVYNCQV-MNOVXSKESA-N 0 0 182.263 2.148 10 30 AEEERN C=CC[C@H]1CCO[C@]2(CCOC2)C1 148283991 344052250 /nfs/dbraw/zinc/05/22/50/344052250.db2.gz WHIGQVDXVYNCQV-WDEREUQCSA-N 0 0 182.263 2.148 10 30 AEEERN C=CC[C@H]1CCO[C@@]2(CCOC2)C1 148284427 344052259 /nfs/dbraw/zinc/05/22/59/344052259.db2.gz WHIGQVDXVYNCQV-QWRGUYRKSA-N 0 0 182.263 2.148 10 30 AEEERN C=CC[C@@H]1CCO[C@]2(CCOC2)C1 148283822 344052287 /nfs/dbraw/zinc/05/22/87/344052287.db2.gz WHIGQVDXVYNCQV-GHMZBOCLSA-N 0 0 182.263 2.148 10 30 AEEERN Fc1ccc(CC[C@H]2CO2)c(F)c1 148306449 344052521 /nfs/dbraw/zinc/05/25/21/344052521.db2.gz MLCXBYYTIUXUOC-VIFPVBQESA-N 0 0 184.185 2.296 10 30 AEEERN Fc1ccc(CC[C@@H]2CO2)c(F)c1 148306229 344052541 /nfs/dbraw/zinc/05/25/41/344052541.db2.gz MLCXBYYTIUXUOC-SECBINFHSA-N 0 0 184.185 2.296 10 30 AEEERN C=CCCc1nccs1 148297745 344052549 /nfs/dbraw/zinc/05/25/49/344052549.db2.gz CTNYJAIVLPVEEW-UHFFFAOYSA-N 0 0 139.223 2.262 10 30 AEEERN C1CCC(CC[C@H]2CO2)C1 148321084 344053030 /nfs/dbraw/zinc/05/30/30/344053030.db2.gz KQUVXGMPBKLSOI-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN Cc1cccc(CC[C@@H]2CO2)c1 148344551 344053128 /nfs/dbraw/zinc/05/31/28/344053128.db2.gz GBVANIFMDABUDP-LLVKDONJSA-N 0 0 162.232 2.326 10 30 AEEERN C1CCC(CC[C@@H]2CO2)C1 148320881 344053250 /nfs/dbraw/zinc/05/32/50/344053250.db2.gz KQUVXGMPBKLSOI-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN Cc1cccc(CC[C@H]2CO2)c1 148344704 344053257 /nfs/dbraw/zinc/05/32/57/344053257.db2.gz GBVANIFMDABUDP-NSHDSACASA-N 0 0 162.232 2.326 10 30 AEEERN Cc1ccccc1CC[C@H]1CO1 148335506 344053267 /nfs/dbraw/zinc/05/32/67/344053267.db2.gz GVNTZZFMOLKIFV-NSHDSACASA-N 0 0 162.232 2.326 10 30 AEEERN Cc1ccccc1CC[C@@H]1CO1 148335354 344053335 /nfs/dbraw/zinc/05/33/35/344053335.db2.gz GVNTZZFMOLKIFV-LLVKDONJSA-N 0 0 162.232 2.326 10 30 AEEERN Cc1cc(F)cc(C[C@@H]2CO2)c1 148375144 344053573 /nfs/dbraw/zinc/05/35/73/344053573.db2.gz CIHBBBGYURBPET-SNVBAGLBSA-N 0 0 166.195 2.075 10 30 AEEERN Cc1ccc(C[C@@H]2CO2)c(C)c1 148356378 344053587 /nfs/dbraw/zinc/05/35/87/344053587.db2.gz BPEZXLIHHKEPEZ-LLVKDONJSA-N 0 0 162.232 2.245 10 30 AEEERN c1cc(C[C@H]2CO2)c2ccncc2c1 148355390 344053636 /nfs/dbraw/zinc/05/36/36/344053636.db2.gz CWSVCFUMZNJMBW-NSHDSACASA-N 0 0 185.226 2.176 10 30 AEEERN C1CC2(C1)C[C@@H](C[C@H]1CO1)CCO2 148364895 344053642 /nfs/dbraw/zinc/05/36/42/344053642.db2.gz XXSQBRFRDCOTJE-ZJUUUORDSA-N 0 0 182.263 2.125 10 30 AEEERN c1cnc2ccc(C[C@H]3CO3)cc2c1 148352071 344053648 /nfs/dbraw/zinc/05/36/48/344053648.db2.gz YVSRLUCIISDCHZ-NSHDSACASA-N 0 0 185.226 2.176 10 30 AEEERN C1CC2(C1)C[C@H](C[C@H]1CO1)CCO2 148364729 344053653 /nfs/dbraw/zinc/05/36/53/344053653.db2.gz XXSQBRFRDCOTJE-UWVGGRQHSA-N 0 0 182.263 2.125 10 30 AEEERN c1cnc2ccc(C[C@@H]3CO3)cc2c1 148351869 344053703 /nfs/dbraw/zinc/05/37/03/344053703.db2.gz YVSRLUCIISDCHZ-LLVKDONJSA-N 0 0 185.226 2.176 10 30 AEEERN Fc1cccc(CC[C@@H]2CO2)c1 148366839 344053739 /nfs/dbraw/zinc/05/37/39/344053739.db2.gz MCCKQBVCJJLBPK-SNVBAGLBSA-N 0 0 166.195 2.157 10 30 AEEERN c1cc(C[C@@H]2CO2)c2ccncc2c1 148355241 344053747 /nfs/dbraw/zinc/05/37/47/344053747.db2.gz CWSVCFUMZNJMBW-LLVKDONJSA-N 0 0 185.226 2.176 10 30 AEEERN Fc1ccc(C[C@H]2CO2)c(F)c1F 148356894 344053797 /nfs/dbraw/zinc/05/37/97/344053797.db2.gz CSETXLIDISSMDA-LURJTMIESA-N 0 0 188.148 2.045 10 30 AEEERN C1CC2(C1)C[C@H](C[C@@H]1CO1)CCO2 148364466 344053801 /nfs/dbraw/zinc/05/38/01/344053801.db2.gz XXSQBRFRDCOTJE-VHSXEESVSA-N 0 0 182.263 2.125 10 30 AEEERN Fc1cccc(CC[C@H]2CO2)c1 148367083 344053845 /nfs/dbraw/zinc/05/38/45/344053845.db2.gz MCCKQBVCJJLBPK-JTQLQIEISA-N 0 0 166.195 2.157 10 30 AEEERN Fc1ccc(C[C@@H]2CO2)c(F)c1F 148356715 344053851 /nfs/dbraw/zinc/05/38/51/344053851.db2.gz CSETXLIDISSMDA-ZCFIWIBFSA-N 0 0 188.148 2.045 10 30 AEEERN Cc1ccc(C[C@H]2CO2)c(C)c1 148356502 344053862 /nfs/dbraw/zinc/05/38/62/344053862.db2.gz BPEZXLIHHKEPEZ-NSHDSACASA-N 0 0 162.232 2.245 10 30 AEEERN C1CC2(C1)C[C@@H](C[C@@H]1CO1)CCO2 148364582 344053884 /nfs/dbraw/zinc/05/38/84/344053884.db2.gz XXSQBRFRDCOTJE-NXEZZACHSA-N 0 0 182.263 2.125 10 30 AEEERN Cc1cc(F)ccc1C[C@@H]1CO1 148378914 344054006 /nfs/dbraw/zinc/05/40/06/344054006.db2.gz PGFLWZZMCQDUBG-SNVBAGLBSA-N 0 0 166.195 2.075 10 30 AEEERN c1ccc2c(C[C@@H]3CO3)cncc2c1 148379305 344054062 /nfs/dbraw/zinc/05/40/62/344054062.db2.gz FNLNYORATQUSED-LLVKDONJSA-N 0 0 185.226 2.176 10 30 AEEERN c1cnc2cc(C[C@H]3CO3)ccc2c1 148387497 344054094 /nfs/dbraw/zinc/05/40/94/344054094.db2.gz FLJPAYULXCSOQK-NSHDSACASA-N 0 0 185.226 2.176 10 30 AEEERN Cc1ccc2cc(C[C@@H]3CO3)ccc2n1 148376760 344054128 /nfs/dbraw/zinc/05/41/28/344054128.db2.gz KCJAMXNVKPMAIX-GFCCVEGCSA-N 0 0 199.253 2.485 10 30 AEEERN Cc1ccc2cc(C[C@H]3CO3)ccc2n1 148376984 344054211 /nfs/dbraw/zinc/05/42/11/344054211.db2.gz KCJAMXNVKPMAIX-LBPRGKRZSA-N 0 0 199.253 2.485 10 30 AEEERN c1cnc2cc(C[C@@H]3CO3)ccc2c1 148387335 344054237 /nfs/dbraw/zinc/05/42/37/344054237.db2.gz FLJPAYULXCSOQK-LLVKDONJSA-N 0 0 185.226 2.176 10 30 AEEERN Cc1cc(F)ccc1C[C@H]1CO1 148379065 344054243 /nfs/dbraw/zinc/05/42/43/344054243.db2.gz PGFLWZZMCQDUBG-JTQLQIEISA-N 0 0 166.195 2.075 10 30 AEEERN CCOc1cc(OC)cc(C#N)c1F 148415129 344054250 /nfs/dbraw/zinc/05/42/50/344054250.db2.gz TXFPWBXJGHFQAM-UHFFFAOYSA-N 0 0 195.193 2.105 10 30 AEEERN CCOc1cc(C#N)c(F)c(OC)c1 148417019 344054301 /nfs/dbraw/zinc/05/43/01/344054301.db2.gz ZFLWOYFGMRWZHV-UHFFFAOYSA-N 0 0 195.193 2.105 10 30 AEEERN c1ccc2c(C[C@H]3CO3)cncc2c1 148379451 344054328 /nfs/dbraw/zinc/05/43/28/344054328.db2.gz FNLNYORATQUSED-NSHDSACASA-N 0 0 185.226 2.176 10 30 AEEERN Cc1cc(F)cc(C[C@H]2CO2)c1 148375325 344054410 /nfs/dbraw/zinc/05/44/10/344054410.db2.gz CIHBBBGYURBPET-JTQLQIEISA-N 0 0 166.195 2.075 10 30 AEEERN Cc1cc(C)c(C)c(C#N)c1 148442608 344054517 /nfs/dbraw/zinc/05/45/17/344054517.db2.gz QRVBSIBNMSNTRO-UHFFFAOYSA-N 0 0 145.205 2.484 10 30 AEEERN O=CC[C@@H]1CCCCC1(F)F 148451240 344054841 /nfs/dbraw/zinc/05/48/41/344054841.db2.gz AXUJOOPTCQNRJN-ZETCQYMHSA-N 0 0 162.179 2.401 10 30 AEEERN C#C[C@](C)(O)c1cc(C)cc(C)c1 148486666 344054918 /nfs/dbraw/zinc/05/49/18/344054918.db2.gz NUHRHSMNQWFBRG-LBPRGKRZSA-N 0 0 174.243 2.144 10 30 AEEERN C#C[C@@](C)(O)c1cc(C)cc(C)c1 148486564 344054931 /nfs/dbraw/zinc/05/49/31/344054931.db2.gz NUHRHSMNQWFBRG-GFCCVEGCSA-N 0 0 174.243 2.144 10 30 AEEERN O=CC[C@H]1CCCCC1(F)F 148451006 344054946 /nfs/dbraw/zinc/05/49/46/344054946.db2.gz AXUJOOPTCQNRJN-SSDOTTSWSA-N 0 0 162.179 2.401 10 30 AEEERN Nc1ccccc1C#CC1CC1 148439038 344054952 /nfs/dbraw/zinc/05/49/52/344054952.db2.gz ZKLBDDNWUDZDIB-UHFFFAOYSA-N 0 0 157.216 2.030 10 30 AEEERN Nc1ccc(C#CC2CC2)cc1 148439472 344054962 /nfs/dbraw/zinc/05/49/62/344054962.db2.gz PDKNPCZUGFLFIL-UHFFFAOYSA-N 0 0 157.216 2.030 10 30 AEEERN C=CCC(=O)Nc1ccc(O)c(C)c1 148524935 344055361 /nfs/dbraw/zinc/05/53/61/344055361.db2.gz DSJGVEUNPXLBBJ-UHFFFAOYSA-N 0 0 191.230 2.215 10 30 AEEERN COc1cc(F)c(C)c(C#N)c1 148542829 344056061 /nfs/dbraw/zinc/05/60/61/344056061.db2.gz BCDLONFXQZBHSU-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN CC(C)(C)C(C)(C)C=O 148666566 344057188 /nfs/dbraw/zinc/05/71/88/344057188.db2.gz OKSBWDKKULDLPF-UHFFFAOYSA-N 0 0 128.215 2.258 10 30 AEEERN Cc1cc(C)cc([C@@](C)(O)CC#N)c1 148729795 344057505 /nfs/dbraw/zinc/05/75/05/344057505.db2.gz XQJLPSJRGROIMI-LBPRGKRZSA-N 0 0 189.258 2.425 10 30 AEEERN C=C(C)C(=O)Nc1ccccc1C#N 148754617 344058180 /nfs/dbraw/zinc/05/81/80/344058180.db2.gz IQUISIBSWGEITI-UHFFFAOYSA-N 0 0 186.214 2.073 10 30 AEEERN Cc1cc(C)cc([C@](C)(O)CC#N)c1 148729642 344057933 /nfs/dbraw/zinc/05/79/33/344057933.db2.gz XQJLPSJRGROIMI-GFCCVEGCSA-N 0 0 189.258 2.425 10 30 AEEERN CC[C@H](C#N)Oc1ccc(N)cc1C 148780406 344058248 /nfs/dbraw/zinc/05/82/48/344058248.db2.gz TWKHMHXDEPCWMT-SNVBAGLBSA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(N)cc1C 148780245 344058268 /nfs/dbraw/zinc/05/82/68/344058268.db2.gz TWKHMHXDEPCWMT-JTQLQIEISA-N 0 0 190.246 2.258 10 30 AEEERN Cc1cc(N)ccc1OC[C@H](C)C#N 148768580 344058486 /nfs/dbraw/zinc/05/84/86/344058486.db2.gz GHYRCXFVRDITHX-MRVPVSSYSA-N 0 0 190.246 2.116 10 30 AEEERN Cc1c(Cl)cc(N)cc1C#N 148754530 344058515 /nfs/dbraw/zinc/05/85/15/344058515.db2.gz JSYHERCJCCTHFG-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1cc(N)ccc1OC[C@@H](C)C#N 148768364 344058587 /nfs/dbraw/zinc/05/85/87/344058587.db2.gz GHYRCXFVRDITHX-QMMMGPOBSA-N 0 0 190.246 2.116 10 30 AEEERN Cc1cc(N)ccc1O[C@@H](C)CC#N 148813467 344058810 /nfs/dbraw/zinc/05/88/10/344058810.db2.gz NGQCIDXSDFNSOP-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN CC=CC(=O)Cc1ccccc1 148816166 344059006 /nfs/dbraw/zinc/05/90/06/344059006.db2.gz BVEVFHZKAPQDJV-KXFIGUGUSA-N 0 0 160.216 2.374 10 30 AEEERN Cc1cc(N)ccc1O[C@H](C)CC#N 148813689 344059271 /nfs/dbraw/zinc/05/92/71/344059271.db2.gz NGQCIDXSDFNSOP-SECBINFHSA-N 0 0 190.246 2.258 10 30 AEEERN CC(C)=NOCC(C)C 148863303 344059539 /nfs/dbraw/zinc/05/95/39/344059539.db2.gz OGMQYNNKVKGBKS-UHFFFAOYSA-N 0 0 129.203 2.055 10 30 AEEERN C=C(COC(C)=O)Cc1ccccc1 148996127 344061177 /nfs/dbraw/zinc/06/11/77/344061177.db2.gz NCLGIIGIJGHNDI-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN Oc1ccc(C#Cc2ccncc2)cc1 149140156 344062449 /nfs/dbraw/zinc/06/24/49/344062449.db2.gz SZDGFWUEVRGANH-UHFFFAOYSA-N 0 0 195.221 2.187 10 30 AEEERN C[C@@H](S)CC(C)(C)C#N 149184871 344062848 /nfs/dbraw/zinc/06/28/48/344062848.db2.gz AZUIBZQBTJWRNR-ZCFIWIBFSA-N 0 0 143.255 2.245 10 30 AEEERN CC=CC(=O)C=CCC 149256457 344063510 /nfs/dbraw/zinc/06/35/10/344063510.db2.gz SPGHKIVYGKTBSC-FNORWQNLSA-N 0 0 124.183 2.098 10 30 AEEERN N#Cc1ccc(C#N)c2cc(O)ccc12 149464376 344065928 /nfs/dbraw/zinc/06/59/28/344065928.db2.gz GLVBAPHVHWRRBT-UHFFFAOYSA-N 0 0 194.193 2.289 10 30 AEEERN CC(C)(O)C#CC1CCCCC1 149430391 344066012 /nfs/dbraw/zinc/06/60/12/344066012.db2.gz YPVIHRAVKXSWIA-UHFFFAOYSA-N 0 0 166.264 2.341 10 30 AEEERN CCOc1cc(C#N)ccc1F 149491681 344066474 /nfs/dbraw/zinc/06/64/74/344066474.db2.gz MBKMPRFDERKMAH-UHFFFAOYSA-N 0 0 165.167 2.096 10 30 AEEERN Cc1cc(C)c(C#N)c(F)c1 149683380 344069595 /nfs/dbraw/zinc/06/95/95/344069595.db2.gz DRABRHLPPZEAPL-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN CC(=O)O[C@@H](C)CCCCCC=O 149707161 344070127 /nfs/dbraw/zinc/07/01/27/344070127.db2.gz VZUFJQZIYAUNJL-VIFPVBQESA-N 0 0 186.251 2.087 10 30 AEEERN C#C[C@@](O)(CC)CCCCC 149724340 344070328 /nfs/dbraw/zinc/07/03/28/344070328.db2.gz AEIFSBVGWLEWJM-SNVBAGLBSA-N 0 0 154.253 2.341 10 30 AEEERN CC(=O)O[C@H](C)CCCCCC=O 149707347 344070410 /nfs/dbraw/zinc/07/04/10/344070410.db2.gz VZUFJQZIYAUNJL-SECBINFHSA-N 0 0 186.251 2.087 10 30 AEEERN C#C[C@](O)(CC)CCCCC 149724125 344070425 /nfs/dbraw/zinc/07/04/25/344070425.db2.gz AEIFSBVGWLEWJM-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN CCO/C(C)=N/Oc1ccccc1 149801545 344071414 /nfs/dbraw/zinc/07/14/14/344071414.db2.gz LYRSTOCARSVLOH-PKNBQFBNSA-N 0 0 179.219 2.435 10 30 AEEERN Cc1cc(C#N)cc(Br)n1 149814852 344071997 /nfs/dbraw/zinc/07/19/97/344071997.db2.gz RYLREKDAVDSALX-UHFFFAOYSA-N 0 0 197.035 2.024 10 30 AEEERN N#Cc1c(O)cccc1C(F)(F)F 149838265 344072012 /nfs/dbraw/zinc/07/20/12/344072012.db2.gz QJHZKSGPBUSKGU-UHFFFAOYSA-N 0 0 187.120 2.283 10 30 AEEERN Cc1cc(C)c(CC=O)s1 149866480 344072655 /nfs/dbraw/zinc/07/26/55/344072655.db2.gz JSXBHHNBXZENPO-UHFFFAOYSA-N 0 0 154.234 2.106 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCC(C)(C)C1 149913546 344073115 /nfs/dbraw/zinc/07/31/15/344073115.db2.gz WOQXJMAREKRYGE-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCC(C)(C)C1 149913981 344073123 /nfs/dbraw/zinc/07/31/23/344073123.db2.gz WOQXJMAREKRYGE-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCC(C)(C)C1 149913787 344073155 /nfs/dbraw/zinc/07/31/55/344073155.db2.gz WOQXJMAREKRYGE-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN C#C/C=C/c1cccc(OC)c1 149911535 344073285 /nfs/dbraw/zinc/07/32/85/344073285.db2.gz NHOUVKBBXIHPLK-GQCTYLIASA-N 0 0 158.200 2.342 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCC(C)(C)C1 149914204 344073297 /nfs/dbraw/zinc/07/32/97/344073297.db2.gz WOQXJMAREKRYGE-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN O=Cc1ccc(C#CC2CC2)s1 149895644 344073353 /nfs/dbraw/zinc/07/33/53/344073353.db2.gz CEGCGYCUYKRITC-UHFFFAOYSA-N 0 0 176.240 2.322 10 30 AEEERN C=CC[C@H](CCC)OC(=O)C=C 149955338 344074448 /nfs/dbraw/zinc/07/44/48/344074448.db2.gz MLLVVWXHMUQXOM-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN COc1c(C)cnc(CS)c1C 150022367 344075635 /nfs/dbraw/zinc/07/56/35/344075635.db2.gz ZDYDJHAPXVTJMZ-UHFFFAOYSA-N 0 0 183.276 2.137 10 30 AEEERN CC#CCC(=O)c1cc(F)ccc1N 150006963 344075643 /nfs/dbraw/zinc/07/56/43/344075643.db2.gz GEERKCJUNNPGLS-UHFFFAOYSA-N 0 0 191.205 2.004 10 30 AEEERN Cc1nc(C#N)ccc1C1CC1 150096942 344076881 /nfs/dbraw/zinc/07/68/81/344076881.db2.gz LJUMVMGTEYJOEN-UHFFFAOYSA-N 0 0 158.204 2.139 10 30 AEEERN C=CC[C@@H](O)C[C@H](O)c1ccccc1 150142085 344077034 /nfs/dbraw/zinc/07/70/34/344077034.db2.gz XIBFDHGRGQMQBU-NEPJUHHUSA-N 0 0 192.258 2.047 10 30 AEEERN C=C(C)[C@](C)(O)c1ccc(F)cn1 150125722 344077057 /nfs/dbraw/zinc/07/70/57/344077057.db2.gz FECKZDSVIJONKF-JTQLQIEISA-N 0 0 181.210 2.004 10 30 AEEERN C=C(C)[C@@](C)(O)c1ccc(F)cn1 150125933 344077119 /nfs/dbraw/zinc/07/71/19/344077119.db2.gz FECKZDSVIJONKF-SNVBAGLBSA-N 0 0 181.210 2.004 10 30 AEEERN N#CCC(=O)c1ccc2cccnc2c1 150204097 344078220 /nfs/dbraw/zinc/07/82/20/344078220.db2.gz PPJWBLISEDYCPW-UHFFFAOYSA-N 0 0 196.209 2.331 10 30 AEEERN N#Cc1ccc2ncccc2c1F 150269607 344079119 /nfs/dbraw/zinc/07/91/19/344079119.db2.gz BHAQNANYXUJWKT-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN CC(=O)/C=C(/C)C1(C)CC1 156207294 344081771 /nfs/dbraw/zinc/08/17/71/344081771.db2.gz DKWNVNCCSYIGHB-SREVYHEPSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C(/C)c1ccoc1 156207680 344082028 /nfs/dbraw/zinc/08/20/28/344082028.db2.gz AXLHPTPTXVNOAW-ALCCZGGFSA-N 0 0 150.177 2.272 10 30 AEEERN CC(=O)c1ccc(N=[N+]=[N-])cn1 156590791 344091407 /nfs/dbraw/zinc/09/14/07/344091407.db2.gz CPRUHEIRSSJXBR-UHFFFAOYSA-N 0 0 162.152 2.226 10 30 AEEERN Cc1nn(C(C)(C)C)cc1[C@H]1CO1 156610573 344091827 /nfs/dbraw/zinc/09/18/27/344091827.db2.gz FVDFQAXFWZKCMO-SECBINFHSA-N 0 0 180.251 2.018 10 30 AEEERN Cc1nn(C(C)(C)C)cc1[C@@H]1CO1 156604116 344091883 /nfs/dbraw/zinc/09/18/83/344091883.db2.gz FVDFQAXFWZKCMO-VIFPVBQESA-N 0 0 180.251 2.018 10 30 AEEERN c1cc2ncc([C@H]3CO3)cc2s1 156612771 344091888 /nfs/dbraw/zinc/09/18/88/344091888.db2.gz AUXOIXPRAKIDLA-MRVPVSSYSA-N 0 0 177.228 2.368 10 30 AEEERN c1cc2ncc([C@@H]3CO3)cc2s1 156606656 344092035 /nfs/dbraw/zinc/09/20/35/344092035.db2.gz AUXOIXPRAKIDLA-QMMMGPOBSA-N 0 0 177.228 2.368 10 30 AEEERN Cc1nn(C(C)C)c(C)c1[C@H]1CO1 156614405 344092159 /nfs/dbraw/zinc/09/21/59/344092159.db2.gz OJGXOYORWIYJLU-SECBINFHSA-N 0 0 180.251 2.152 10 30 AEEERN Cc1nn(C(C)C)c(C)c1[C@@H]1CO1 156608818 344092250 /nfs/dbraw/zinc/09/22/50/344092250.db2.gz OJGXOYORWIYJLU-VIFPVBQESA-N 0 0 180.251 2.152 10 30 AEEERN CC(C)=CC(=O)C(F)(F)Cl 156639304 344092678 /nfs/dbraw/zinc/09/26/78/344092678.db2.gz DQSQKYYQRDGZQO-UHFFFAOYSA-N 0 0 168.570 2.353 10 30 AEEERN C#CC(=O)c1cc(C)c2ccccc2n1 156716085 344093995 /nfs/dbraw/zinc/09/39/95/344093995.db2.gz SUPXWUCNZLYXNT-UHFFFAOYSA-N 0 0 195.221 2.359 10 30 AEEERN C=CCN1c2ccccc2NC[C@H]1C 156827288 344095899 /nfs/dbraw/zinc/09/58/99/344095899.db2.gz PNMNCRFNHCTTHW-SNVBAGLBSA-N 0 0 188.274 2.493 10 30 AEEERN C=CCN1c2ccccc2NC[C@@H]1C 156827430 344095983 /nfs/dbraw/zinc/09/59/83/344095983.db2.gz PNMNCRFNHCTTHW-JTQLQIEISA-N 0 0 188.274 2.493 10 30 AEEERN C=CCc1ccccc1OCCOC 156889168 344097089 /nfs/dbraw/zinc/09/70/89/344097089.db2.gz GNRACRRHIZKOPP-UHFFFAOYSA-N 0 0 192.258 2.440 10 30 AEEERN CC(C)(C#N)Cc1cncs1 157048685 344099390 /nfs/dbraw/zinc/09/93/90/344099390.db2.gz KHJLZAHEPVQCRG-UHFFFAOYSA-N 0 0 166.249 2.235 10 30 AEEERN C=CCNc1cc(C)cc(N)c1 157069239 344099998 /nfs/dbraw/zinc/09/99/98/344099998.db2.gz QXENJNIGFVBYGN-UHFFFAOYSA-N 0 0 162.236 2.175 10 30 AEEERN [N-]=[N+]=Nc1ncc(F)cc1F 157256353 344101914 /nfs/dbraw/zinc/10/19/14/344101914.db2.gz BRUSTNFJTOREQA-UHFFFAOYSA-N 0 0 156.095 2.302 10 30 AEEERN CC(=O)/C=C1\CCC[C@H]1C 157299496 344102850 /nfs/dbraw/zinc/10/28/50/344102850.db2.gz GZCOTGLZNWQXAB-TUOMEMKJSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1/CS[C@H](C)C1 157302964 344102882 /nfs/dbraw/zinc/10/28/82/344102882.db2.gz KZBRUCQSFVHCDH-KOERYYGSSA-N 0 0 156.250 2.027 10 30 AEEERN CC(=O)/C=C1\CCC[C@@H]1C 157299646 344102892 /nfs/dbraw/zinc/10/28/92/344102892.db2.gz GZCOTGLZNWQXAB-QCCBYXMRSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1\CCCS[C@@H]1C 157311412 344102904 /nfs/dbraw/zinc/10/29/04/344102904.db2.gz ADRHSCOPEKDJBU-GTUWVTDSSA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)/C=C1\CCCS[C@H]1C 157311558 344102966 /nfs/dbraw/zinc/10/29/66/344102966.db2.gz ADRHSCOPEKDJBU-CYXIBPNKSA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)C=C1C[C@H](C)O[C@H](C)C1 157305357 344102990 /nfs/dbraw/zinc/10/29/90/344102990.db2.gz OTOYGFKXCHCTBZ-DTORHVGOSA-N 0 0 168.236 2.089 10 30 AEEERN CC[C@H]1C/C(=C\C(C)=O)CCO1 157308286 344102993 /nfs/dbraw/zinc/10/29/93/344102993.db2.gz VVURJPHBDHKROY-MBACFSSFSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C=C1/CCOC(C)(C)C1 157310137 344103028 /nfs/dbraw/zinc/10/30/28/344103028.db2.gz IAGGMHUXKHXYGN-TWGQIWQCSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C=C1/CCCSC1 157304584 344103046 /nfs/dbraw/zinc/10/30/46/344103046.db2.gz NDODXSWPTWKOCF-YVMONPNESA-N 0 0 156.250 2.029 10 30 AEEERN CC(=O)C=C1CCSCC1 157301846 344103061 /nfs/dbraw/zinc/10/30/61/344103061.db2.gz DVIYMGSDAYMGOZ-UHFFFAOYSA-N 0 0 156.250 2.029 10 30 AEEERN CC(=O)C=C1C[C@H](C)O[C@@H](C)C1 157305510 344103130 /nfs/dbraw/zinc/10/31/30/344103130.db2.gz OTOYGFKXCHCTBZ-IUCAKERBSA-N 0 0 168.236 2.089 10 30 AEEERN CC(=O)/C=C(/C)c1cccnc1 157299987 344103151 /nfs/dbraw/zinc/10/31/51/344103151.db2.gz YLSOQIURZMWJOL-VURMDHGXSA-N 0 0 161.204 2.074 10 30 AEEERN CC(=O)C=C1C[C@@H](C)O[C@H](C)C1 157305643 344103158 /nfs/dbraw/zinc/10/31/58/344103158.db2.gz OTOYGFKXCHCTBZ-RKDXNWHRSA-N 0 0 168.236 2.089 10 30 AEEERN CC[C@@H]1C/C(=C\C(C)=O)CCO1 157308136 344103161 /nfs/dbraw/zinc/10/31/61/344103161.db2.gz VVURJPHBDHKROY-ABRRARGCSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(CC(C)=O)c1ccccn1 157299207 344103180 /nfs/dbraw/zinc/10/31/80/344103180.db2.gz UKGAPSMSJVZNLI-FPLPWBNLSA-N 0 0 161.204 2.074 10 30 AEEERN CC(=O)/C=C1\CC[C@H](C)C1 157306863 344103191 /nfs/dbraw/zinc/10/31/91/344103191.db2.gz GZJZMAPWISKLIM-QCCBYXMRSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1\CC[C@@H](C)C1 157306721 344103211 /nfs/dbraw/zinc/10/32/11/344103211.db2.gz GZJZMAPWISKLIM-TUOMEMKJSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1/CS[C@@H](C)C1 157303115 344103216 /nfs/dbraw/zinc/10/32/16/344103216.db2.gz KZBRUCQSFVHCDH-TWGKFFBLSA-N 0 0 156.250 2.027 10 30 AEEERN CC(=O)/C=C(/C)c1ccncc1 157299353 344103247 /nfs/dbraw/zinc/10/32/47/344103247.db2.gz LDZRGBKDKQEWML-FPLPWBNLSA-N 0 0 161.204 2.074 10 30 AEEERN CC(=O)C=C(C)c1ccco1 157300155 344103284 /nfs/dbraw/zinc/10/32/84/344103284.db2.gz YOKJRNCYJJRYAO-SREVYHEPSA-N 0 0 150.177 2.272 10 30 AEEERN CC/C(=C/C(C)=O)C1CC1 157313322 344103617 /nfs/dbraw/zinc/10/36/17/344103617.db2.gz NTVSEEGIYARVHE-VURMDHGXSA-N 0 0 138.210 2.322 10 30 AEEERN O=C1C=C(c2ccncc2F)CCC1 157533261 344108373 /nfs/dbraw/zinc/10/83/73/344108373.db2.gz WRJIJTGFWMQLMF-UHFFFAOYSA-N 0 0 191.205 2.357 10 30 AEEERN Cc1cc(C#N)cc(N(C)C(C)C)n1 157564920 344109324 /nfs/dbraw/zinc/10/93/24/344109324.db2.gz QCTZLXKOJQGDKG-UHFFFAOYSA-N 0 0 189.262 2.106 10 30 AEEERN Cc1cc(C#N)cc(NCC2CC2)n1 157563669 344109376 /nfs/dbraw/zinc/10/93/76/344109376.db2.gz FBFQQQBJPRPOGS-UHFFFAOYSA-N 0 0 187.246 2.084 10 30 AEEERN CCN(CC)c1cc(C#N)cc(C)n1 157561654 344109601 /nfs/dbraw/zinc/10/96/01/344109601.db2.gz WSBGXXZHJDZMDC-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN CCCN(C)c1cc(C#N)cc(C)n1 157567382 344109631 /nfs/dbraw/zinc/10/96/31/344109631.db2.gz XRECZMCHKAZNFR-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN CCCNc1cc(C#N)cc(C)n1 157561363 344109733 /nfs/dbraw/zinc/10/97/33/344109733.db2.gz SXCCVDQLERYBGD-UHFFFAOYSA-N 0 0 175.235 2.084 10 30 AEEERN Cc1cc(C#N)cc(N[C@@H]2C[C@@H]2C)n1 157576937 344109840 /nfs/dbraw/zinc/10/98/40/344109840.db2.gz KDCSLTKJHFNDPW-OIBJUYFYSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(C#N)cc(NC2CC=CC2)n1 157594882 344110069 /nfs/dbraw/zinc/11/00/69/344110069.db2.gz VYNGENZSIWPCQA-UHFFFAOYSA-N 0 0 199.257 2.392 10 30 AEEERN CCCOc1cc(C#N)cc(C)n1 157608151 344110718 /nfs/dbraw/zinc/11/07/18/344110718.db2.gz NYAVSUZHVGOYSD-UHFFFAOYSA-N 0 0 176.219 2.051 10 30 AEEERN C=C(C)CNc1cc(C#N)cc(C)n1 157605924 344110382 /nfs/dbraw/zinc/11/03/82/344110382.db2.gz QYVOTUSHQWTWCP-UHFFFAOYSA-N 0 0 187.246 2.250 10 30 AEEERN C/C=C/COc1cc(C#N)cc(C)n1 157608901 344110636 /nfs/dbraw/zinc/11/06/36/344110636.db2.gz MSFHWGOGSJXNIX-ONEGZZNKSA-N 0 0 188.230 2.217 10 30 AEEERN Cc1cc(C#N)cc(OCC2CC2)n1 157607037 344110640 /nfs/dbraw/zinc/11/06/40/344110640.db2.gz YDXVDSDRSFSPED-UHFFFAOYSA-N 0 0 188.230 2.051 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCCS1 157696984 344111606 /nfs/dbraw/zinc/11/16/06/344111606.db2.gz PPIXRRVYEASGDA-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN CC#CCOc1c(C)cccc1C=O 157698738 344111644 /nfs/dbraw/zinc/11/16/44/344111644.db2.gz JCPQAJZVXMDGSM-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCCS1 157697116 344111783 /nfs/dbraw/zinc/11/17/83/344111783.db2.gz PPIXRRVYEASGDA-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN Cc1cc(C#N)cc(N=[N+]=[N-])n1 157734948 344112289 /nfs/dbraw/zinc/11/22/89/344112289.db2.gz FAIFGSGVFBUKKS-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN C=CCn1cc2c(c1)[C@@H](O)CCC2 157751147 344112843 /nfs/dbraw/zinc/11/28/43/344112843.db2.gz LCOQEDDQCHIIGN-NSHDSACASA-N 0 0 177.247 2.044 10 30 AEEERN C=CCn1cc2c(c1)[C@H](O)CCC2 157750990 344113213 /nfs/dbraw/zinc/11/32/13/344113213.db2.gz LCOQEDDQCHIIGN-LLVKDONJSA-N 0 0 177.247 2.044 10 30 AEEERN C=C[C@@H](C)Oc1cccnc1 157797354 344114158 /nfs/dbraw/zinc/11/41/58/344114158.db2.gz AEJILEBFRAMTIW-MRVPVSSYSA-N 0 0 149.193 2.035 10 30 AEEERN C=C[C@H](C)Oc1cccnc1 157797208 344114398 /nfs/dbraw/zinc/11/43/98/344114398.db2.gz AEJILEBFRAMTIW-QMMMGPOBSA-N 0 0 149.193 2.035 10 30 AEEERN C=C(Cl)COc1cccnc1 157797507 344114480 /nfs/dbraw/zinc/11/44/80/344114480.db2.gz SVRQGAJBKORLMD-UHFFFAOYSA-N 0 0 169.611 2.213 10 30 AEEERN O=C[C@@H]1CCc2c(F)cccc21 158118857 344119309 /nfs/dbraw/zinc/11/93/09/344119309.db2.gz RCKDETZLTFCBMO-ZETCQYMHSA-N 0 0 164.179 2.054 10 30 AEEERN O=C[C@H]1CCc2c(F)cccc21 158118723 344119376 /nfs/dbraw/zinc/11/93/76/344119376.db2.gz RCKDETZLTFCBMO-SSDOTTSWSA-N 0 0 164.179 2.054 10 30 AEEERN COCOc1cc(Cl)ccc1C#N 158131106 344120072 /nfs/dbraw/zinc/12/00/72/344120072.db2.gz XIOPAYVFZSSGQV-UHFFFAOYSA-N 0 0 197.621 2.194 10 30 AEEERN C#CCC(=O)C1CCC(F)(F)CC1 158220905 344121980 /nfs/dbraw/zinc/12/19/80/344121980.db2.gz DWAPBKQHNYZOCF-UHFFFAOYSA-N 0 0 186.201 2.404 10 30 AEEERN C=C[C@@H](NN)c1sccc1Cl 158421918 344126402 /nfs/dbraw/zinc/12/64/02/344126402.db2.gz KLRICPRRTITRBB-ZCFIWIBFSA-N 0 0 188.683 2.092 10 30 AEEERN C=C[C@H](NN)c1ccc(Cl)s1 158428581 344126403 /nfs/dbraw/zinc/12/64/03/344126403.db2.gz WXNAQRWHXSBPPN-YFKPBYRVSA-N 0 0 188.683 2.092 10 30 AEEERN C#Cc1cc2ccccc2nc1C#N 158411053 344126638 /nfs/dbraw/zinc/12/66/38/344126638.db2.gz VBWINYMBYLZVDV-UHFFFAOYSA-N 0 0 178.194 2.088 10 30 AEEERN C=C[C@H](NN)c1sccc1Cl 158421787 344126690 /nfs/dbraw/zinc/12/66/90/344126690.db2.gz KLRICPRRTITRBB-LURJTMIESA-N 0 0 188.683 2.092 10 30 AEEERN C=C[C@@H](NN)c1ccc(Cl)s1 158428728 344126714 /nfs/dbraw/zinc/12/67/14/344126714.db2.gz WXNAQRWHXSBPPN-RXMQYKEDSA-N 0 0 188.683 2.092 10 30 AEEERN CC1=CCN(c2ncccc2C#N)CC1 158776473 344132380 /nfs/dbraw/zinc/13/23/80/344132380.db2.gz HFHISCXHIFVCHU-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C=C[C@](C)(O)Cc1ccc(F)cc1 158788762 344133078 /nfs/dbraw/zinc/13/30/78/344133078.db2.gz NRFOLENAKVJGGO-NSHDSACASA-N 0 0 180.222 2.305 10 30 AEEERN C=C[C@@](C)(O)Cc1ccc(F)cc1 158788886 344133052 /nfs/dbraw/zinc/13/30/52/344133052.db2.gz NRFOLENAKVJGGO-LLVKDONJSA-N 0 0 180.222 2.305 10 30 AEEERN CC[C@@H](C#N)c1ccc(F)cn1 158808411 344133325 /nfs/dbraw/zinc/13/33/25/344133325.db2.gz YMSRZVBEFHZHSO-ZETCQYMHSA-N 0 0 164.183 2.238 10 30 AEEERN C=C(C)[C@@H](NN)c1c(C)oc(C)c1C 158807880 344133439 /nfs/dbraw/zinc/13/34/39/344133439.db2.gz LUSJVQRYQSHNSO-LLVKDONJSA-N 0 0 194.278 2.285 10 30 AEEERN C=C(C)[C@@H](NN)c1ccc(C)cc1C 158804137 344133471 /nfs/dbraw/zinc/13/34/71/344133471.db2.gz LPMQBQIFNDLIKM-GFCCVEGCSA-N 0 0 190.290 2.384 10 30 AEEERN CC[C@H](C#N)c1ccc(F)cn1 158808567 344133504 /nfs/dbraw/zinc/13/35/04/344133504.db2.gz YMSRZVBEFHZHSO-SSDOTTSWSA-N 0 0 164.183 2.238 10 30 AEEERN C=C(C)[C@@](O)(CC)c1ccc(F)cn1 158810287 344133513 /nfs/dbraw/zinc/13/35/13/344133513.db2.gz JGRVIWZJDJBIFQ-NSHDSACASA-N 0 0 195.237 2.394 10 30 AEEERN C=C(C)[C@H](NN)c1ccc(C)cc1C 158804286 344133532 /nfs/dbraw/zinc/13/35/32/344133532.db2.gz LPMQBQIFNDLIKM-LBPRGKRZSA-N 0 0 190.290 2.384 10 30 AEEERN C=C(C)[C@](O)(CC)c1ccc(F)cn1 158810443 344133539 /nfs/dbraw/zinc/13/35/39/344133539.db2.gz JGRVIWZJDJBIFQ-LLVKDONJSA-N 0 0 195.237 2.394 10 30 AEEERN C=C(C)[C@H](NN)c1c(C)oc(C)c1C 158808023 344133581 /nfs/dbraw/zinc/13/35/81/344133581.db2.gz LUSJVQRYQSHNSO-NSHDSACASA-N 0 0 194.278 2.285 10 30 AEEERN CC#CC[C@H](O)CC1CCSCC1 158874721 344134129 /nfs/dbraw/zinc/13/41/29/344134129.db2.gz KDOBECMLTVLKII-NSHDSACASA-N 0 0 198.331 2.294 10 30 AEEERN CC#CC[C@@H](O)CC1CCSCC1 158874847 344134424 /nfs/dbraw/zinc/13/44/24/344134424.db2.gz KDOBECMLTVLKII-LLVKDONJSA-N 0 0 198.331 2.294 10 30 AEEERN C=C(C)[C@H](C#N)NC1CCCCC1 158884167 344134770 /nfs/dbraw/zinc/13/47/70/344134770.db2.gz SEHNCLIDGPKYOD-NSHDSACASA-N 0 0 178.279 2.377 10 30 AEEERN CC#CC[C@@H](O)c1ccc(C)nc1C 158892379 344134980 /nfs/dbraw/zinc/13/49/80/344134980.db2.gz SUIWJTBRQVTNAL-GFCCVEGCSA-N 0 0 189.258 2.145 10 30 AEEERN C=C(C)[C@@H](C#N)NC1CCCCC1 158884023 344135008 /nfs/dbraw/zinc/13/50/08/344135008.db2.gz SEHNCLIDGPKYOD-LLVKDONJSA-N 0 0 178.279 2.377 10 30 AEEERN CC#CC[C@H](O)c1ccc(C)nc1C 158892246 344135058 /nfs/dbraw/zinc/13/50/58/344135058.db2.gz SUIWJTBRQVTNAL-LBPRGKRZSA-N 0 0 189.258 2.145 10 30 AEEERN C=CCC(=O)[C@]1(C)CCCS1 158946424 344135455 /nfs/dbraw/zinc/13/54/55/344135455.db2.gz BFFSDGIPIDYVDM-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN C=CCC(=O)[C@@]1(C)CCCS1 158946295 344135677 /nfs/dbraw/zinc/13/56/77/344135677.db2.gz BFFSDGIPIDYVDM-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN CC=CC(=O)c1scnc1C 158976104 344135958 /nfs/dbraw/zinc/13/59/58/344135958.db2.gz DGCMXZRMCWSMBW-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN C=CCC(=O)c1cccc2nccnc12 158975099 344136252 /nfs/dbraw/zinc/13/62/52/344136252.db2.gz NFPXGLXULYSEDF-UHFFFAOYSA-N 0 0 198.225 2.389 10 30 AEEERN CC#CCC(=O)[C@]1(C)CCCS1 159031488 344136905 /nfs/dbraw/zinc/13/69/05/344136905.db2.gz QOIXMKJLFWKNEY-JTQLQIEISA-N 0 0 182.288 2.255 10 30 AEEERN CC#CCC(=O)[C@@]1(C)CCCS1 159031631 344137140 /nfs/dbraw/zinc/13/71/40/344137140.db2.gz QOIXMKJLFWKNEY-SNVBAGLBSA-N 0 0 182.288 2.255 10 30 AEEERN CC=C=CC(=O)c1csc(C)n1 159044740 344137542 /nfs/dbraw/zinc/13/75/42/344137542.db2.gz YAQRNDDZPXAOIF-UHFFFAOYSA-N 0 0 179.244 2.048 10 30 AEEERN CC=C=CC(=O)c1ccncc1Cl 159050298 344137564 /nfs/dbraw/zinc/13/75/64/344137564.db2.gz XVHDUMSMKRDPTM-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN CC=C=CC(=O)c1scnc1C 159048181 344137691 /nfs/dbraw/zinc/13/76/91/344137691.db2.gz YSHBVNSYEOUUAT-UHFFFAOYSA-N 0 0 179.244 2.048 10 30 AEEERN C#CC[C@H](C)Nc1ccc(F)cn1 159187659 344140184 /nfs/dbraw/zinc/14/01/84/344140184.db2.gz VXAQYMSANOTOCB-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN CC#CCOc1c(F)cccc1C=O 159180759 344140022 /nfs/dbraw/zinc/14/00/22/344140022.db2.gz YLYMTDGEQBREDY-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C#CC[C@@H](C)Nc1ccc(F)cn1 159187781 344140165 /nfs/dbraw/zinc/14/01/65/344140165.db2.gz VXAQYMSANOTOCB-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN C[C@]1(Cc2cccc(F)c2)CO1 159276301 344140983 /nfs/dbraw/zinc/14/09/83/344140983.db2.gz LQNWKDMYPCIWQI-JTQLQIEISA-N 0 0 166.195 2.157 10 30 AEEERN C[C@@]1(Cc2ccccc2F)CO1 159276122 344141001 /nfs/dbraw/zinc/14/10/01/344141001.db2.gz ZPMSIEWVVDQIES-SNVBAGLBSA-N 0 0 166.195 2.157 10 30 AEEERN C[C@]1(Cc2ccccc2F)CO1 159276019 344141350 /nfs/dbraw/zinc/14/13/50/344141350.db2.gz ZPMSIEWVVDQIES-JTQLQIEISA-N 0 0 166.195 2.157 10 30 AEEERN C#CC[C@](C)(O)C1CCCCC1 159332815 344142526 /nfs/dbraw/zinc/14/25/26/344142526.db2.gz KYHJQJLTILAPBP-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)C1CCCCC1 159340265 344142698 /nfs/dbraw/zinc/14/26/98/344142698.db2.gz QYWXOEFBFWUFOM-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)[C@@](C)(O)C1CCCCC1 159340377 344142727 /nfs/dbraw/zinc/14/27/27/344142727.db2.gz QYWXOEFBFWUFOM-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@](O)(CC=O)C1 159352430 344142810 /nfs/dbraw/zinc/14/28/10/344142810.db2.gz PIAFDTVLPVCDCL-GXSJLCMTSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@](O)(CC=O)C1 159351999 344142981 /nfs/dbraw/zinc/14/29/81/344142981.db2.gz PIAFDTVLPVCDCL-KOLCDFICSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H](C#N)[C@](C)(O)C1CCCCC1 159340146 344143023 /nfs/dbraw/zinc/14/30/23/344143023.db2.gz QYWXOEFBFWUFOM-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)[C@](C)(O)C1CCCCC1 159340023 344143025 /nfs/dbraw/zinc/14/30/25/344143025.db2.gz QYWXOEFBFWUFOM-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@](O)(CC=O)C1 159352286 344143078 /nfs/dbraw/zinc/14/30/78/344143078.db2.gz PIAFDTVLPVCDCL-MWLCHTKSSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H]1CC(C)(C)C[C@](O)(CC=O)C1 159352140 344143100 /nfs/dbraw/zinc/14/31/00/344143100.db2.gz PIAFDTVLPVCDCL-ONGXEEELSA-N 0 0 184.279 2.153 10 30 AEEERN CC[C@H]1CCC[C@](O)(CC=O)CC1 159395679 344143273 /nfs/dbraw/zinc/14/32/73/344143273.db2.gz IJMFTQWFGUHKIP-WDEREUQCSA-N 0 0 184.279 2.297 10 30 AEEERN O=CC[C@H](O)c1ccc(Cl)s1 159383435 344143446 /nfs/dbraw/zinc/14/34/46/344143446.db2.gz SSADXBXSSNMWQK-YFKPBYRVSA-N 0 0 190.651 2.024 10 30 AEEERN CC[C@H]1CCC[C@@](O)(CC=O)CC1 159395907 344143467 /nfs/dbraw/zinc/14/34/67/344143467.db2.gz IJMFTQWFGUHKIP-QWRGUYRKSA-N 0 0 184.279 2.297 10 30 AEEERN CC[C@@H]1CCC[C@@](O)(CC=O)CC1 159395792 344143514 /nfs/dbraw/zinc/14/35/14/344143514.db2.gz IJMFTQWFGUHKIP-MNOVXSKESA-N 0 0 184.279 2.297 10 30 AEEERN CC1(C)CCC[C@@](O)(CC=O)CC1 159392329 344143564 /nfs/dbraw/zinc/14/35/64/344143564.db2.gz MPDJWZSBXFYOPE-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN O=CC[C@@H](O)c1ccc(Cl)s1 159383312 344143578 /nfs/dbraw/zinc/14/35/78/344143578.db2.gz SSADXBXSSNMWQK-RXMQYKEDSA-N 0 0 190.651 2.024 10 30 AEEERN CC[C@@H]1CCC[C@](O)(CC=O)CC1 159395569 344143618 /nfs/dbraw/zinc/14/36/18/344143618.db2.gz IJMFTQWFGUHKIP-GHMZBOCLSA-N 0 0 184.279 2.297 10 30 AEEERN O=CC[C@H](O)c1cc(Cl)cs1 159408628 344143855 /nfs/dbraw/zinc/14/38/55/344143855.db2.gz WQMJJKHHGSSEII-LURJTMIESA-N 0 0 190.651 2.024 10 30 AEEERN C[C@H]1CC(C)(C)CC[C@@]1(O)CC=O 159411655 344144125 /nfs/dbraw/zinc/14/41/25/344144125.db2.gz SZQNUKJTRMHMOZ-GXSJLCMTSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H]1CC(C)(C)CC[C@]1(O)CC=O 159411258 344144054 /nfs/dbraw/zinc/14/40/54/344144054.db2.gz SZQNUKJTRMHMOZ-KOLCDFICSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H]1CC(C)(C)CC[C@]1(O)CC=O 159411399 344144112 /nfs/dbraw/zinc/14/41/12/344144112.db2.gz SZQNUKJTRMHMOZ-ONGXEEELSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H]1CC(C)(C)CC[C@@]1(O)CC=O 159411531 344144149 /nfs/dbraw/zinc/14/41/49/344144149.db2.gz SZQNUKJTRMHMOZ-MWLCHTKSSA-N 0 0 184.279 2.153 10 30 AEEERN O=CC[C@@H](O)c1cc(Cl)cs1 159408492 344144199 /nfs/dbraw/zinc/14/41/99/344144199.db2.gz WQMJJKHHGSSEII-ZCFIWIBFSA-N 0 0 190.651 2.024 10 30 AEEERN C=CC(=O)C1(OC)CCC(C)CC1 159420784 344144636 /nfs/dbraw/zinc/14/46/36/344144636.db2.gz SBSWZXBDFAWEKB-UHFFFAOYSA-N 0 0 182.263 2.337 10 30 AEEERN C=CC(=O)[C@@]1(OC)CCC[C@@H](C)C1 159440785 344145060 /nfs/dbraw/zinc/14/50/60/344145060.db2.gz AUBPTSSWOOVTRJ-MWLCHTKSSA-N 0 0 182.263 2.337 10 30 AEEERN C=CC(=O)[C@@]1(OC)CCC[C@H](C)C1 159440888 344145141 /nfs/dbraw/zinc/14/51/41/344145141.db2.gz AUBPTSSWOOVTRJ-GXSJLCMTSA-N 0 0 182.263 2.337 10 30 AEEERN C=CC(=O)[C@]1(OC)CCC[C@H](C)C1 159441090 344145220 /nfs/dbraw/zinc/14/52/20/344145220.db2.gz AUBPTSSWOOVTRJ-ONGXEEELSA-N 0 0 182.263 2.337 10 30 AEEERN C=CC(=O)[C@]1(OC)CCC[C@@H](C)C1 159440995 344145332 /nfs/dbraw/zinc/14/53/32/344145332.db2.gz AUBPTSSWOOVTRJ-KOLCDFICSA-N 0 0 182.263 2.337 10 30 AEEERN C=CC(=O)C1(OC)CCCCCC1 159462660 344145416 /nfs/dbraw/zinc/14/54/16/344145416.db2.gz JTRKSMHPVXQNNX-UHFFFAOYSA-N 0 0 182.263 2.481 10 30 AEEERN SC[C@H]1CCOc2ccccc21 159474020 344145720 /nfs/dbraw/zinc/14/57/20/344145720.db2.gz BUOTVYSBZKSJDR-MRVPVSSYSA-N 0 0 180.272 2.483 10 30 AEEERN SC[C@@H]1CCOc2ccccc21 159473907 344145798 /nfs/dbraw/zinc/14/57/98/344145798.db2.gz BUOTVYSBZKSJDR-QMMMGPOBSA-N 0 0 180.272 2.483 10 30 AEEERN CC(=O)/C=C/c1nc(C)cs1 159673068 344149864 /nfs/dbraw/zinc/14/98/64/344149864.db2.gz TVYULTJRFKZSCB-ONEGZZNKSA-N 0 0 167.233 2.054 10 30 AEEERN C#Cc1nc(NC(C)C)sc1C 159695439 344150189 /nfs/dbraw/zinc/15/01/89/344150189.db2.gz HNDZILMTJJXMTC-UHFFFAOYSA-N 0 0 180.276 2.253 10 30 AEEERN CCO[C@@H](C#N)c1nc(C)cs1 159686168 344150196 /nfs/dbraw/zinc/15/01/96/344150196.db2.gz DWZXCOSLERENSW-ZETCQYMHSA-N 0 0 182.248 2.053 10 30 AEEERN C#Cc1csc(NCC(C)C)n1 159696242 344150214 /nfs/dbraw/zinc/15/02/14/344150214.db2.gz YYWXKLRMGUTTDN-UHFFFAOYSA-N 0 0 180.276 2.192 10 30 AEEERN Cc1csc([C@H](O)C(C)(C)C#N)n1 159697225 344150308 /nfs/dbraw/zinc/15/03/08/344150308.db2.gz DMUILFUTWYYGAY-ZETCQYMHSA-N 0 0 196.275 2.035 10 30 AEEERN CCO[C@H](C#N)c1nc(C)cs1 159686273 344150333 /nfs/dbraw/zinc/15/03/33/344150333.db2.gz DWZXCOSLERENSW-SSDOTTSWSA-N 0 0 182.248 2.053 10 30 AEEERN Cc1csc([C@@H](O)C(C)(C)C#N)n1 159697340 344150379 /nfs/dbraw/zinc/15/03/79/344150379.db2.gz DMUILFUTWYYGAY-SSDOTTSWSA-N 0 0 196.275 2.035 10 30 AEEERN C#Cc1nc(NC2CC2)sc1C 159695552 344150392 /nfs/dbraw/zinc/15/03/92/344150392.db2.gz SBXJSLZDHXUQFZ-UHFFFAOYSA-N 0 0 178.260 2.007 10 30 AEEERN C#Cc1nc(NCCC)sc1C 159695127 344150409 /nfs/dbraw/zinc/15/04/09/344150409.db2.gz SAJHYTHSCGDIMH-UHFFFAOYSA-N 0 0 180.276 2.255 10 30 AEEERN C#Cc1csc(C[NH2+]C(C)(C)C)n1 159708946 344150671 /nfs/dbraw/zinc/15/06/71/344150671.db2.gz RBPMTTJIHUSLSN-UHFFFAOYSA-N 0 0 194.303 2.013 10 30 AEEERN C=CCCNC(=O)Nc1ccccc1 159707545 344150818 /nfs/dbraw/zinc/15/08/18/344150818.db2.gz NCAIRJQTRRMEOW-UHFFFAOYSA-N 0 0 190.246 2.384 10 30 AEEERN C#Cc1csc([C@@H]([NH3+])C(C)(C)C)n1 159703883 344150840 /nfs/dbraw/zinc/15/08/40/344150840.db2.gz CNMGBYLMXMARSQ-MRVPVSSYSA-N 0 0 194.303 2.170 10 30 AEEERN C#Cc1csc(C([NH3+])(CC)CC)n1 159701005 344150872 /nfs/dbraw/zinc/15/08/72/344150872.db2.gz ZMECKEMGRASXHX-UHFFFAOYSA-N 0 0 194.303 2.098 10 30 AEEERN C#Cc1csc([C@H]([NH3+])C(C)(C)C)n1 159704034 344150878 /nfs/dbraw/zinc/15/08/78/344150878.db2.gz CNMGBYLMXMARSQ-QMMMGPOBSA-N 0 0 194.303 2.170 10 30 AEEERN C#Cc1nc2ccc(Cl)cn2c1C 159732478 344151252 /nfs/dbraw/zinc/15/12/52/344151252.db2.gz LBJJRNNSSNWYQG-UHFFFAOYSA-N 0 0 190.633 2.277 10 30 AEEERN C#Cc1nc(Cl)sc1C 159725139 344151383 /nfs/dbraw/zinc/15/13/83/344151383.db2.gz WZLZKFSRTKGHSB-UHFFFAOYSA-N 0 0 157.625 2.086 10 30 AEEERN C#Cc1nc2sc(C)c(C)n2c1C 159736065 344151712 /nfs/dbraw/zinc/15/17/12/344151712.db2.gz IXUPCWLKADKLMI-UHFFFAOYSA-N 0 0 190.271 2.302 10 30 AEEERN COc1cccc(F)c1[C@@]1(C)CO1 159771842 344151874 /nfs/dbraw/zinc/15/18/74/344151874.db2.gz GQUSWYKKDDBYNN-SNVBAGLBSA-N 0 0 182.194 2.080 10 30 AEEERN O=C1C=C(Cc2cncs2)CCC1 159785829 344152315 /nfs/dbraw/zinc/15/23/15/344152315.db2.gz OHMZOTUKJPMDPG-UHFFFAOYSA-N 0 0 193.271 2.365 10 30 AEEERN COc1cccc(F)c1[C@]1(C)CO1 159771987 344152367 /nfs/dbraw/zinc/15/23/67/344152367.db2.gz GQUSWYKKDDBYNN-JTQLQIEISA-N 0 0 182.194 2.080 10 30 AEEERN CC(C)c1cnc(CC#N)s1 159812065 344152770 /nfs/dbraw/zinc/15/27/70/344152770.db2.gz IUSNFFGWYAGTJD-UHFFFAOYSA-N 0 0 166.249 2.333 10 30 AEEERN C#CC[C@H](O)C1(OC)CCCCCC1 159836583 344153009 /nfs/dbraw/zinc/15/30/09/344153009.db2.gz ULCZWVMVVNSPRU-NSHDSACASA-N 0 0 196.290 2.110 10 30 AEEERN C#CC[C@@H](O)C1(OC)CCCCCC1 159836472 344153047 /nfs/dbraw/zinc/15/30/47/344153047.db2.gz ULCZWVMVVNSPRU-LLVKDONJSA-N 0 0 196.290 2.110 10 30 AEEERN CCOc1ccc(NCC#N)cc1F 159840538 344153067 /nfs/dbraw/zinc/15/30/67/344153067.db2.gz HPOWFTWRKSPJSM-UHFFFAOYSA-N 0 0 194.209 2.160 10 30 AEEERN Cc1cc(F)ccc1C(=O)[C@@H](C)C#N 159866784 344153544 /nfs/dbraw/zinc/15/35/44/344153544.db2.gz OOENZHQGKJWANT-QMMMGPOBSA-N 0 0 191.205 2.477 10 30 AEEERN Cc1cc(F)ccc1C(=O)[C@H](C)C#N 159866914 344153594 /nfs/dbraw/zinc/15/35/94/344153594.db2.gz OOENZHQGKJWANT-MRVPVSSYSA-N 0 0 191.205 2.477 10 30 AEEERN C#Cc1cc(C)c(OC)cc1C 159907194 344153914 /nfs/dbraw/zinc/15/39/14/344153914.db2.gz UXOJLVIRXNBPDH-UHFFFAOYSA-N 0 0 160.216 2.293 10 30 AEEERN C=C(CC)Cc1cnc(N)s1 159881331 344153967 /nfs/dbraw/zinc/15/39/67/344153967.db2.gz RFKUXTMZTSIJFN-UHFFFAOYSA-N 0 0 168.265 2.234 10 30 AEEERN COc1cc(C)c(CC=O)cc1C 159904000 344154125 /nfs/dbraw/zinc/15/41/25/344154125.db2.gz FNWNHDSVQCMIQO-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN CC#CCC[C@]1(O)CC[C@H](C)C1 161495259 344191939 /nfs/dbraw/zinc/19/19/39/344191939.db2.gz QIEJJYKZOYWOOL-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCC[C@H](O)[C@@]1(C)CCCS1 159927932 344154568 /nfs/dbraw/zinc/15/45/68/344154568.db2.gz AIXQNSTXUNMTRM-VHSXEESVSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCC[C@@H](O)[C@@]1(C)CCCS1 159927660 344154591 /nfs/dbraw/zinc/15/45/91/344154591.db2.gz AIXQNSTXUNMTRM-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCC[C@H](O)[C@]1(C)CCCS1 159928056 344154626 /nfs/dbraw/zinc/15/46/26/344154626.db2.gz AIXQNSTXUNMTRM-UWVGGRQHSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCC[C@@H](O)[C@]1(C)CCCS1 159927785 344154672 /nfs/dbraw/zinc/15/46/72/344154672.db2.gz AIXQNSTXUNMTRM-ZJUUUORDSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCC[C@]1(C)CCC(=O)C1 159956505 344155372 /nfs/dbraw/zinc/15/53/72/344155372.db2.gz TYYKEBRZPKHYGN-SNVBAGLBSA-N 0 0 150.221 2.159 10 30 AEEERN CC#CC[C@@]1(C)CCC(=O)C1 159956759 344155421 /nfs/dbraw/zinc/15/54/21/344155421.db2.gz DUSOMIRBBZDXKA-JTQLQIEISA-N 0 0 150.221 2.159 10 30 AEEERN CC#CC[C@]1(C)CCC(=O)C1 159956645 344155440 /nfs/dbraw/zinc/15/54/40/344155440.db2.gz DUSOMIRBBZDXKA-SNVBAGLBSA-N 0 0 150.221 2.159 10 30 AEEERN CC1=CCN(c2ccc(C#N)nc2)CC1 159976806 344156076 /nfs/dbraw/zinc/15/60/76/344156076.db2.gz FRCMXGLLERFXIV-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN CC[C@H](C)C(=O)C1=COCCC1 160013414 344156402 /nfs/dbraw/zinc/15/64/02/344156402.db2.gz SVSZBKGDQISKIZ-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN O=C(CC(F)(F)F)C1=COCCC1 160008689 344156505 /nfs/dbraw/zinc/15/65/05/344156505.db2.gz KQGDOEMFQAEIIF-UHFFFAOYSA-N 0 0 194.152 2.202 10 30 AEEERN CC(C)(C)C(=O)C1=COCCC1 160007778 344156567 /nfs/dbraw/zinc/15/65/67/344156567.db2.gz OHDBICGKZAUZJT-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN O=C(C1=COCCC1)C1CCC1 160015341 344156659 /nfs/dbraw/zinc/15/66/59/344156659.db2.gz MSSAMJSJWVTIQK-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CCCC(=O)C1=COCCC1 160007482 344156664 /nfs/dbraw/zinc/15/66/64/344156664.db2.gz GVIHNZQXCAXASF-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN CC[C@@H](C)C(=O)C1=COCCC1 160013286 344156703 /nfs/dbraw/zinc/15/67/03/344156703.db2.gz SVSZBKGDQISKIZ-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN O=C(C1=COCCC1)c1ccco1 160011862 344156777 /nfs/dbraw/zinc/15/67/77/344156777.db2.gz WDRJMQVACSRVQI-UHFFFAOYSA-N 0 0 178.187 2.157 10 30 AEEERN O=C(C1=COCCC1)c1ccoc1 160013836 344156877 /nfs/dbraw/zinc/15/68/77/344156877.db2.gz NRCBDBALQVQIHR-UHFFFAOYSA-N 0 0 178.187 2.157 10 30 AEEERN O=C(C1=COCCC1)C(F)(F)Cl 160032192 344157009 /nfs/dbraw/zinc/15/70/09/344157009.db2.gz QNXILXVGKQYFPV-UHFFFAOYSA-N 0 0 196.580 2.081 10 30 AEEERN O=C(CC1CC1)C1=COCCC1 160027040 344157035 /nfs/dbraw/zinc/15/70/35/344157035.db2.gz MEORTOYZEIIFOF-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CC1(C(=O)C2=COCCC2)CC1 160026755 344157082 /nfs/dbraw/zinc/15/70/82/344157082.db2.gz BOHKHXJIYWCTAH-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN O=C(C1=COCCC1)[C@@H]1CCCS1 160027723 344157204 /nfs/dbraw/zinc/15/72/04/344157204.db2.gz APYIECWNBSUIMM-VIFPVBQESA-N 0 0 198.287 2.145 10 30 AEEERN O=C(C1=COCCC1)c1cscn1 160027206 344157239 /nfs/dbraw/zinc/15/72/39/344157239.db2.gz SJTZRBPXBWYSFR-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN O=C(C1=COCCC1)c1cncs1 160026900 344157364 /nfs/dbraw/zinc/15/73/64/344157364.db2.gz ZTHLLZAJTAUSIV-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN O=C(C1=COCCC1)[C@H]1CCCS1 160027590 344157393 /nfs/dbraw/zinc/15/73/93/344157393.db2.gz APYIECWNBSUIMM-SECBINFHSA-N 0 0 198.287 2.145 10 30 AEEERN C#C[C@H](C)Nc1ncc(Cl)cc1F 160058448 344157722 /nfs/dbraw/zinc/15/77/22/344157722.db2.gz QWSALRCTCJQPJK-LURJTMIESA-N 0 0 198.628 2.308 10 30 AEEERN C#CCCC(=O)[C@@]1(C)CCCS1 160116497 344158623 /nfs/dbraw/zinc/15/86/23/344158623.db2.gz WTKAJGHUROCJCF-SNVBAGLBSA-N 0 0 182.288 2.255 10 30 AEEERN C#CCCC(=O)c1ccc(C)nc1C 160125394 344158647 /nfs/dbraw/zinc/15/86/47/344158647.db2.gz HORDFTXCHWPXAH-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN C[C@H]1CCCCN1C1=CC(=O)CC1 160191757 344159479 /nfs/dbraw/zinc/15/94/79/344159479.db2.gz HLVDNPNIBVMIMG-VIFPVBQESA-N 0 0 179.263 2.108 10 30 AEEERN CN(C1=CC(=O)CC1)C1CCCC1 160198995 344159655 /nfs/dbraw/zinc/15/96/55/344159655.db2.gz ZIMNWDZOHHALEP-UHFFFAOYSA-N 0 0 179.263 2.108 10 30 AEEERN C[C@@H]1CCCCN1C1=CC(=O)CC1 160191640 344159665 /nfs/dbraw/zinc/15/96/65/344159665.db2.gz HLVDNPNIBVMIMG-SECBINFHSA-N 0 0 179.263 2.108 10 30 AEEERN CC[C@@H]1CCCN1C1=CC(=O)CC1 160208545 344160040 /nfs/dbraw/zinc/16/00/40/344160040.db2.gz VRGMMCXRHLWKMA-SECBINFHSA-N 0 0 179.263 2.108 10 30 AEEERN CC1(C)CCCN1C1=CC(=O)CC1 160240000 344160452 /nfs/dbraw/zinc/16/04/52/344160452.db2.gz HPZGWPQZNDDLBZ-UHFFFAOYSA-N 0 0 179.263 2.108 10 30 AEEERN C[C@@H]1CCN(C2=CC(=O)CC2)[C@H](C)C1 160234333 344160564 /nfs/dbraw/zinc/16/05/64/344160564.db2.gz OMJRDRFZAKUGHE-NXEZZACHSA-N 0 0 193.290 2.354 10 30 AEEERN CC1(C)CCN(C2=CC(=O)CC2)CC1 160236681 344160600 /nfs/dbraw/zinc/16/06/00/344160600.db2.gz TXAMKXCZUCYFKK-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C[C@H]1CCN(C2=CC(=O)CC2)[C@H](C)C1 160234466 344160654 /nfs/dbraw/zinc/16/06/54/344160654.db2.gz OMJRDRFZAKUGHE-VHSXEESVSA-N 0 0 193.290 2.354 10 30 AEEERN O=C1C=C(Sc2nccs2)CC1 160276268 344161349 /nfs/dbraw/zinc/16/13/49/344161349.db2.gz IGIAHUUSDKCMOH-UHFFFAOYSA-N 0 0 197.284 2.482 10 30 AEEERN O=C1C=C(Sc2ccncc2)CC1 160283430 344161517 /nfs/dbraw/zinc/16/15/17/344161517.db2.gz UTNVHQURSSQMKH-UHFFFAOYSA-N 0 0 191.255 2.421 10 30 AEEERN CC(C)SC1=CC(=O)CC1 160275972 344161534 /nfs/dbraw/zinc/16/15/34/344161534.db2.gz MNDHJLUWWXGFNT-UHFFFAOYSA-N 0 0 156.250 2.375 10 30 AEEERN O=C1C=C(SC2CCOCC2)CC1 160280036 344161586 /nfs/dbraw/zinc/16/15/86/344161586.db2.gz CCVDEMVXDLKNTN-UHFFFAOYSA-N 0 0 198.287 2.145 10 30 AEEERN CCCSC1=CC(=O)CC1 160269802 344161678 /nfs/dbraw/zinc/16/16/78/344161678.db2.gz LDCSBIDVQBYIGI-UHFFFAOYSA-N 0 0 156.250 2.376 10 30 AEEERN C=C(C)CNc1ncc(Cl)cc1N 160289074 344161950 /nfs/dbraw/zinc/16/19/50/344161950.db2.gz PNSJSKASRTYNQO-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN C=C(C)CNc1cccc(F)c1N 160295749 344161989 /nfs/dbraw/zinc/16/19/89/344161989.db2.gz IWAJAYKRMKRNLM-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN C=C(C)CNc1ccc(N)c(C#N)c1 160292211 344162078 /nfs/dbraw/zinc/16/20/78/344162078.db2.gz BQDRJNAPOORWLK-UHFFFAOYSA-N 0 0 187.246 2.128 10 30 AEEERN C=C(C)CNc1ccc(N)cc1 160289646 344162080 /nfs/dbraw/zinc/16/20/80/344162080.db2.gz LIQVNUWKUHIFBV-UHFFFAOYSA-N 0 0 162.236 2.257 10 30 AEEERN C=C(C)CNc1cc(F)ccc1N 160294944 344162137 /nfs/dbraw/zinc/16/21/37/344162137.db2.gz VEBNKPBMTFGJQL-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN O=C1C=C(NCC2CCCC2)CC1 160296418 344162161 /nfs/dbraw/zinc/16/21/61/344162161.db2.gz JZSMNZWDLMKIBE-UHFFFAOYSA-N 0 0 179.263 2.013 10 30 AEEERN C=C(C)CNc1nc(Cl)ccc1N 160293139 344162193 /nfs/dbraw/zinc/16/21/93/344162193.db2.gz ZRPUEIGFVVGBDY-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN C=C(C)CNc1cccc(N)c1 160295210 344162199 /nfs/dbraw/zinc/16/21/99/344162199.db2.gz BBLNJUVDLKXJMS-UHFFFAOYSA-N 0 0 162.236 2.257 10 30 AEEERN O=C1C=C(NC2CCCCC2)CC1 160285430 344162205 /nfs/dbraw/zinc/16/22/05/344162205.db2.gz FMBFHHUHOMNNAM-UHFFFAOYSA-N 0 0 179.263 2.156 10 30 AEEERN O=C1C=C(NCc2cccs2)CC1 160295322 344162265 /nfs/dbraw/zinc/16/22/65/344162265.db2.gz PDUFPXYMRMNZOH-UHFFFAOYSA-N 0 0 193.271 2.085 10 30 AEEERN CC1CCC(NC2=CC(=O)CC2)CC1 160293385 344162273 /nfs/dbraw/zinc/16/22/73/344162273.db2.gz PZKNOFQRRITKNX-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN C=C(C)CNc1ccc(F)cc1N 160287927 344162277 /nfs/dbraw/zinc/16/22/77/344162277.db2.gz YLMHETNBVLYFBP-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN C=C(C)CNc1cc(N)cc(F)c1 160295342 344162285 /nfs/dbraw/zinc/16/22/85/344162285.db2.gz WHEIXNXBOAAVPH-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN C=C(C)CNc1ccc(N)c(OC)c1 160294537 344162288 /nfs/dbraw/zinc/16/22/88/344162288.db2.gz ZAEZLGRIROWLOR-UHFFFAOYSA-N 0 0 192.262 2.265 10 30 AEEERN C=C(C)CNc1ccc(N)cc1F 160293296 344162299 /nfs/dbraw/zinc/16/22/99/344162299.db2.gz OSFHMUHAFYVMHH-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN Cc1cccc(F)c1NCCC#N 160318354 344162480 /nfs/dbraw/zinc/16/24/80/344162480.db2.gz JYRXLMJKRYZWMB-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN CC1(NC2=CC(=O)CC2)CCCC1 160316025 344162533 /nfs/dbraw/zinc/16/25/33/344162533.db2.gz HGUBVRDMEAQZFH-UHFFFAOYSA-N 0 0 179.263 2.156 10 30 AEEERN O=C1C=C(NC(C2CC2)C2CC2)CC1 160322211 344162636 /nfs/dbraw/zinc/16/26/36/344162636.db2.gz XSWCQFYUFLKHBB-UHFFFAOYSA-N 0 0 191.274 2.011 10 30 AEEERN O=C1C=C(NCc2ccsc2)CC1 160345097 344163268 /nfs/dbraw/zinc/16/32/68/344163268.db2.gz NWUDIKQJDPLWFF-UHFFFAOYSA-N 0 0 193.271 2.085 10 30 AEEERN C[C@@H]1CCC[C@H]1NC1=CC(=O)CC1 160345492 344163295 /nfs/dbraw/zinc/16/32/95/344163295.db2.gz PKNHLMIGUZKAFK-LDYMZIIASA-N 0 0 179.263 2.011 10 30 AEEERN C[C@H]1CCC[C@@H]1NC1=CC(=O)CC1 160345361 344163301 /nfs/dbraw/zinc/16/33/01/344163301.db2.gz PKNHLMIGUZKAFK-KWQFWETISA-N 0 0 179.263 2.011 10 30 AEEERN C[C@@H]1CCC[C@@H]1NC1=CC(=O)CC1 160345257 344163386 /nfs/dbraw/zinc/16/33/86/344163386.db2.gz PKNHLMIGUZKAFK-KCJUWKMLSA-N 0 0 179.263 2.011 10 30 AEEERN Cc1cccc(F)c1NC(=O)CS 160348072 344163498 /nfs/dbraw/zinc/16/34/98/344163498.db2.gz UWCHLNYWHWAULT-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN C[C@H]1CCC[C@H]1NC1=CC(=O)CC1 160345627 344163505 /nfs/dbraw/zinc/16/35/05/344163505.db2.gz PKNHLMIGUZKAFK-GZMMTYOYSA-N 0 0 179.263 2.011 10 30 AEEERN CCOc1cccnc1N=[N+]=[N-] 160381364 344163696 /nfs/dbraw/zinc/16/36/96/344163696.db2.gz FGLAVVHXEKOCOC-UHFFFAOYSA-N 0 0 164.168 2.422 10 30 AEEERN COc1cccnc1N=[N+]=[N-] 160380926 344163867 /nfs/dbraw/zinc/16/38/67/344163867.db2.gz XOSOXLYJLBLZMQ-UHFFFAOYSA-N 0 0 150.141 2.032 10 30 AEEERN C#CC(C)(C)Nc1ncc(F)cc1F 160374192 344164133 /nfs/dbraw/zinc/16/41/33/344164133.db2.gz HTZYUWYOPDBTSG-UHFFFAOYSA-N 0 0 196.200 2.184 10 30 AEEERN C=C(C)CNc1ncc(F)cc1F 160389146 344164308 /nfs/dbraw/zinc/16/43/08/344164308.db2.gz LXMQYZUEDUNQGC-UHFFFAOYSA-N 0 0 184.189 2.348 10 30 AEEERN C=C(C)CNc1cccc(OC)n1 160392181 344164316 /nfs/dbraw/zinc/16/43/16/344164316.db2.gz SPAPGTQQIOMWCW-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN CC[C@H](C#N)n1cnc2c1CCCC2 160401904 344164330 /nfs/dbraw/zinc/16/43/30/344164330.db2.gz ZYHOCJKLJSDEIW-SECBINFHSA-N 0 0 189.262 2.237 10 30 AEEERN C=C(C)CNc1ccc(F)cn1 160388730 344164373 /nfs/dbraw/zinc/16/43/73/344164373.db2.gz CQQLPUVWBBCZDY-UHFFFAOYSA-N 0 0 166.199 2.209 10 30 AEEERN CC[C@@H](C#N)n1cnc2c1CCCC2 160401762 344164400 /nfs/dbraw/zinc/16/44/00/344164400.db2.gz ZYHOCJKLJSDEIW-VIFPVBQESA-N 0 0 189.262 2.237 10 30 AEEERN C=C(C)CNc1ncccc1F 160388315 344164414 /nfs/dbraw/zinc/16/44/14/344164414.db2.gz RAMYEEYRXZEUJA-UHFFFAOYSA-N 0 0 166.199 2.209 10 30 AEEERN C=C(C)CNc1ncccc1C 160389569 344164432 /nfs/dbraw/zinc/16/44/32/344164432.db2.gz FDGQFEWYTWTHEI-UHFFFAOYSA-N 0 0 162.236 2.378 10 30 AEEERN C=C(C)CNc1ccc(Cl)nn1 160393300 344164466 /nfs/dbraw/zinc/16/44/66/344164466.db2.gz QEBCTPHXLRZPRX-UHFFFAOYSA-N 0 0 183.642 2.118 10 30 AEEERN C=C(C)CNc1cccc(C)n1 160393969 344164516 /nfs/dbraw/zinc/16/45/16/344164516.db2.gz MWANUSBRGPUTBJ-UHFFFAOYSA-N 0 0 162.236 2.378 10 30 AEEERN C=C(C)CNc1nccs1 160391058 344164540 /nfs/dbraw/zinc/16/45/40/344164540.db2.gz CJKPZDMBPWEEKJ-UHFFFAOYSA-N 0 0 154.238 2.131 10 30 AEEERN C=C(C)CNc1cc(C)ccn1 160388175 344164585 /nfs/dbraw/zinc/16/45/85/344164585.db2.gz CEGYWOKHKLGCRC-UHFFFAOYSA-N 0 0 162.236 2.378 10 30 AEEERN C#C[C@](O)(CC)c1ccccc1F 160395105 344164697 /nfs/dbraw/zinc/16/46/97/344164697.db2.gz RGHVSDNMFZWAIE-NSHDSACASA-N 0 0 178.206 2.057 10 30 AEEERN CC(=CO)C(=O)c1ccccc1F 160390659 344164706 /nfs/dbraw/zinc/16/47/06/344164706.db2.gz UURNTSRDASXHMP-SREVYHEPSA-N 0 0 180.178 2.470 10 30 AEEERN C#C[C@@](O)(CC)c1ccccc1F 160395223 344164722 /nfs/dbraw/zinc/16/47/22/344164722.db2.gz RGHVSDNMFZWAIE-LLVKDONJSA-N 0 0 178.206 2.057 10 30 AEEERN Cc1nc2c(n1[C@@H](C)C#N)CCCC2 160402312 344165003 /nfs/dbraw/zinc/16/50/03/344165003.db2.gz HSYYMPNUHDOPFF-QMMMGPOBSA-N 0 0 189.262 2.155 10 30 AEEERN CC[C@](O)(CC#N)c1ccccc1F 160413804 344165016 /nfs/dbraw/zinc/16/50/16/344165016.db2.gz VUZNGFYFUOEIFF-NSHDSACASA-N 0 0 193.221 2.337 10 30 AEEERN Cc1nc2c(n1[C@H](C)C#N)CCCC2 160402443 344165145 /nfs/dbraw/zinc/16/51/45/344165145.db2.gz HSYYMPNUHDOPFF-MRVPVSSYSA-N 0 0 189.262 2.155 10 30 AEEERN CC[C@@](O)(CC#N)c1ccccc1F 160413694 344165266 /nfs/dbraw/zinc/16/52/66/344165266.db2.gz VUZNGFYFUOEIFF-LLVKDONJSA-N 0 0 193.221 2.337 10 30 AEEERN C=CCCC(=O)CCSC 160435294 344165584 /nfs/dbraw/zinc/16/55/84/344165584.db2.gz NTBIXJCSVPWIPM-UHFFFAOYSA-N 0 0 158.266 2.275 10 30 AEEERN CC1(C)CC(C)(C)CC(N)(C#N)C1 160443490 344166500 /nfs/dbraw/zinc/16/65/00/344166500.db2.gz SPTDDQKQIPATRH-UHFFFAOYSA-N 0 0 180.295 2.444 10 30 AEEERN CC[C@]1(C)C/C(=C\C(C)=O)CCO1 160479434 344166889 /nfs/dbraw/zinc/16/68/89/344166889.db2.gz LORSLRJKNPAYIB-ZJRUKIMVSA-N 0 0 182.263 2.481 10 30 AEEERN CC(=O)/C=C1/CC(C)(C)OC1(C)C 160488971 344166893 /nfs/dbraw/zinc/16/68/93/344166893.db2.gz FBPLVGORJLZXQI-TWGQIWQCSA-N 0 0 182.263 2.479 10 30 AEEERN CC(=O)C=C1Cc2ccccc2C1 160481302 344166898 /nfs/dbraw/zinc/16/68/98/344166898.db2.gz GTIJAARQJQGYDP-UHFFFAOYSA-N 0 0 172.227 2.301 10 30 AEEERN COc1cccc(CS)c1F 160469483 344166947 /nfs/dbraw/zinc/16/69/47/344166947.db2.gz VWZZNELEHMRQPT-UHFFFAOYSA-N 0 0 172.224 2.264 10 30 AEEERN CC#CCSc1ccc(CO)cc1 160480221 344166952 /nfs/dbraw/zinc/16/69/52/344166952.db2.gz RADDNRXPEFTNSJ-UHFFFAOYSA-N 0 0 192.283 2.294 10 30 AEEERN CC[C@@]1(C)C/C(=C\C(C)=O)CCO1 160479564 344167051 /nfs/dbraw/zinc/16/70/51/344167051.db2.gz LORSLRJKNPAYIB-BRNRAETOSA-N 0 0 182.263 2.481 10 30 AEEERN CC(=O)/C=C1/CCO[C@@H](C(C)C)C1 160489219 344167674 /nfs/dbraw/zinc/16/76/74/344167674.db2.gz QVDOZYXPQZJKPU-SDKXAQGSSA-N 0 0 182.263 2.337 10 30 AEEERN CC(=O)C=C(C)c1ccc(F)cn1 160490740 344167795 /nfs/dbraw/zinc/16/77/95/344167795.db2.gz HHHKZXZJVSOVPM-ALCCZGGFSA-N 0 0 179.194 2.213 10 30 AEEERN N#C[C@@H]1CNc2cccc(Cl)c2O1 160528132 344168456 /nfs/dbraw/zinc/16/84/56/344168456.db2.gz SACUYSXHIXRYFQ-ZCFIWIBFSA-N 0 0 194.621 2.036 10 30 AEEERN N#C[C@H]1CNc2cccc(Cl)c2O1 160528254 344168575 /nfs/dbraw/zinc/16/85/75/344168575.db2.gz SACUYSXHIXRYFQ-LURJTMIESA-N 0 0 194.621 2.036 10 30 AEEERN N#C[C@@H]1CNc2ccc(Cl)cc2O1 160556686 344169422 /nfs/dbraw/zinc/16/94/22/344169422.db2.gz LYRZZRNRZZTYRZ-SSDOTTSWSA-N 0 0 194.621 2.036 10 30 AEEERN N#C[C@H]1CNc2ccc(Cl)cc2O1 160556775 344169598 /nfs/dbraw/zinc/16/95/98/344169598.db2.gz LYRZZRNRZZTYRZ-ZETCQYMHSA-N 0 0 194.621 2.036 10 30 AEEERN C=C(C)CNc1ccc(C)cn1 160658530 344173409 /nfs/dbraw/zinc/17/34/09/344173409.db2.gz SFMBMKKAKUHIDX-UHFFFAOYSA-N 0 0 162.236 2.378 10 30 AEEERN C[C@H](CO)Sc1ccc(C#N)cc1 160682599 344173792 /nfs/dbraw/zinc/17/37/92/344173792.db2.gz FEQWYDBGQUSAOJ-MRVPVSSYSA-N 0 0 193.271 2.031 10 30 AEEERN N#Cc1cccn1CC1CCC1 160673165 344174075 /nfs/dbraw/zinc/17/40/75/344174075.db2.gz NFRQZSQGLWGUKQ-UHFFFAOYSA-N 0 0 160.220 2.160 10 30 AEEERN C[C@@H](CO)Sc1ccc(C#N)cc1 160682468 344174126 /nfs/dbraw/zinc/17/41/26/344174126.db2.gz FEQWYDBGQUSAOJ-QMMMGPOBSA-N 0 0 193.271 2.031 10 30 AEEERN C#CC(=O)[C@H]1CSc2ccccc21 160696058 344174372 /nfs/dbraw/zinc/17/43/72/344174372.db2.gz SPOGPVZRJXLQIM-VIFPVBQESA-N 0 0 188.251 2.078 10 30 AEEERN C#CC(=O)[C@@H]1CSc2ccccc21 160695916 344174466 /nfs/dbraw/zinc/17/44/66/344174466.db2.gz SPOGPVZRJXLQIM-SECBINFHSA-N 0 0 188.251 2.078 10 30 AEEERN C#CC(=O)C1CCC(F)(F)CC1 160701395 344174482 /nfs/dbraw/zinc/17/44/82/344174482.db2.gz ZQPRBSIADRKSEW-UHFFFAOYSA-N 0 0 172.174 2.014 10 30 AEEERN C#CC(=O)c1cc(C)nc2ccccc12 160708010 344174971 /nfs/dbraw/zinc/17/49/71/344174971.db2.gz MLYQBYPCLHRFSE-UHFFFAOYSA-N 0 0 195.221 2.359 10 30 AEEERN C#CC(=O)CCc1ccc(C)cc1 160708905 344174984 /nfs/dbraw/zinc/17/49/84/344174984.db2.gz HNCKHVMJDOKJRA-UHFFFAOYSA-N 0 0 172.227 2.130 10 30 AEEERN C#CC(=O)CCc1ccccc1C 160709205 344175032 /nfs/dbraw/zinc/17/50/32/344175032.db2.gz JHAQVNFVHNUPST-UHFFFAOYSA-N 0 0 172.227 2.130 10 30 AEEERN C#CC(=O)[C@H]1CCCc2sccc21 160713839 344175599 /nfs/dbraw/zinc/17/55/99/344175599.db2.gz YDKGVZGUMYWNFT-QMMMGPOBSA-N 0 0 190.267 2.370 10 30 AEEERN C#CC(=O)[C@@H]1CCCc2sccc21 160713702 344175676 /nfs/dbraw/zinc/17/56/76/344175676.db2.gz YDKGVZGUMYWNFT-MRVPVSSYSA-N 0 0 190.267 2.370 10 30 AEEERN C=C[C@H](O)[C@@H]1CSc2ccccc21 160751165 344176415 /nfs/dbraw/zinc/17/64/15/344176415.db2.gz VXTKEUCECJTAIS-ZJUUUORDSA-N 0 0 192.283 2.423 10 30 AEEERN C=C[C@@H](O)[C@@H]1CSc2ccccc21 160751248 344176430 /nfs/dbraw/zinc/17/64/30/344176430.db2.gz VXTKEUCECJTAIS-NXEZZACHSA-N 0 0 192.283 2.423 10 30 AEEERN C=C[C@@H](O)[C@H]1CSc2ccccc21 160751480 344176475 /nfs/dbraw/zinc/17/64/75/344176475.db2.gz VXTKEUCECJTAIS-VHSXEESVSA-N 0 0 192.283 2.423 10 30 AEEERN C=C[C@H](O)[C@H]1CSc2ccccc21 160751358 344176614 /nfs/dbraw/zinc/17/66/14/344176614.db2.gz VXTKEUCECJTAIS-UWVGGRQHSA-N 0 0 192.283 2.423 10 30 AEEERN C=C(C)C[C@H](O)c1ccc(C)nc1 160823055 344178738 /nfs/dbraw/zinc/17/87/38/344178738.db2.gz UNYQBXURTAQJFN-NSHDSACASA-N 0 0 177.247 2.390 10 30 AEEERN C=C(C)C[C@@H](O)c1cncc(F)c1 160839569 344178757 /nfs/dbraw/zinc/17/87/57/344178757.db2.gz LXFDMRDZORIMRJ-SNVBAGLBSA-N 0 0 181.210 2.220 10 30 AEEERN C=C(C)C[C@H](O)c1cncc(F)c1 160839461 344178964 /nfs/dbraw/zinc/17/89/64/344178964.db2.gz LXFDMRDZORIMRJ-JTQLQIEISA-N 0 0 181.210 2.220 10 30 AEEERN C=C(C)C[C@@H](O)c1ccc(C)nc1 160822920 344178982 /nfs/dbraw/zinc/17/89/82/344178982.db2.gz UNYQBXURTAQJFN-LLVKDONJSA-N 0 0 177.247 2.390 10 30 AEEERN C=C(C)[C@@H](O)CC1CCSCC1 160872800 344179210 /nfs/dbraw/zinc/17/92/10/344179210.db2.gz HJIKVXJZOCVJIR-JTQLQIEISA-N 0 0 186.320 2.457 10 30 AEEERN C=C(C)[C@H](O)c1cccc(N(C)C)c1 160873195 344179213 /nfs/dbraw/zinc/17/92/13/344179213.db2.gz SZNLWIGCTYBVLX-LBPRGKRZSA-N 0 0 191.274 2.362 10 30 AEEERN COc1ccccc1[C@@]1(C#N)C[C@H]1C 160871830 344179259 /nfs/dbraw/zinc/17/92/59/344179259.db2.gz JSNNVXVDUFVWFU-BXKDBHETSA-N 0 0 187.242 2.496 10 30 AEEERN COc1ccccc1[C@]1(C#N)C[C@H]1C 160871578 344179332 /nfs/dbraw/zinc/17/93/32/344179332.db2.gz JSNNVXVDUFVWFU-SKDRFNHKSA-N 0 0 187.242 2.496 10 30 AEEERN C=C(C)[C@@H](O)c1cccc(N(C)C)c1 160873327 344179428 /nfs/dbraw/zinc/17/94/28/344179428.db2.gz SZNLWIGCTYBVLX-GFCCVEGCSA-N 0 0 191.274 2.362 10 30 AEEERN COc1ccccc1[C@@]1(C#N)C[C@@H]1C 160871960 344179470 /nfs/dbraw/zinc/17/94/70/344179470.db2.gz JSNNVXVDUFVWFU-JOYOIKCWSA-N 0 0 187.242 2.496 10 30 AEEERN CCCS[C@]1(C#N)C[C@@H]1C 160889736 344179651 /nfs/dbraw/zinc/17/96/51/344179651.db2.gz SHQXQDMRAHZWFP-YUMQZZPRSA-N 0 0 155.266 2.432 10 30 AEEERN COc1cccc([C@@]2(C#N)C[C@H]2C)c1 160878525 344179691 /nfs/dbraw/zinc/17/96/91/344179691.db2.gz DNRLLZCXMIGKKT-BXKDBHETSA-N 0 0 187.242 2.496 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(Cl)cn1 160884994 344179709 /nfs/dbraw/zinc/17/97/09/344179709.db2.gz UTBAMOXMQIYRHO-SECBINFHSA-N 0 0 183.638 2.345 10 30 AEEERN CCCS[C@@]1(C#N)C[C@@H]1C 160889874 344179750 /nfs/dbraw/zinc/17/97/50/344179750.db2.gz SHQXQDMRAHZWFP-JGVFFNPUSA-N 0 0 155.266 2.432 10 30 AEEERN COc1cccc([C@]2(C#N)C[C@H]2C)c1 160878241 344179800 /nfs/dbraw/zinc/17/98/00/344179800.db2.gz DNRLLZCXMIGKKT-SKDRFNHKSA-N 0 0 187.242 2.496 10 30 AEEERN COc1cccc([C@@]2(C#N)C[C@@H]2C)c1 160878622 344179810 /nfs/dbraw/zinc/17/98/10/344179810.db2.gz DNRLLZCXMIGKKT-JOYOIKCWSA-N 0 0 187.242 2.496 10 30 AEEERN C=C(C)[C@H](O)c1ccc(Cl)cn1 160884857 344179862 /nfs/dbraw/zinc/17/98/62/344179862.db2.gz UTBAMOXMQIYRHO-VIFPVBQESA-N 0 0 183.638 2.345 10 30 AEEERN COc1cccc([C@]2(C#N)C[C@@H]2C)c1 160878375 344179869 /nfs/dbraw/zinc/17/98/69/344179869.db2.gz DNRLLZCXMIGKKT-CABZTGNLSA-N 0 0 187.242 2.496 10 30 AEEERN CCCS[C@@]1(C#N)C[C@H]1C 160890125 344179875 /nfs/dbraw/zinc/17/98/75/344179875.db2.gz SHQXQDMRAHZWFP-HTQZYQBOSA-N 0 0 155.266 2.432 10 30 AEEERN CCCS[C@]1(C#N)C[C@H]1C 160890002 344179882 /nfs/dbraw/zinc/17/98/82/344179882.db2.gz SHQXQDMRAHZWFP-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN C=C(C)[C@H](O)c1snnc1C(C)C 160888398 344179907 /nfs/dbraw/zinc/17/99/07/344179907.db2.gz PXGOUJKZGYKXCZ-QMMMGPOBSA-N 0 0 198.291 2.271 10 30 AEEERN CC[C@@H]1C[C@]1(C#N)c1cccnc1 160905391 344180261 /nfs/dbraw/zinc/18/02/61/344180261.db2.gz RBLVAWMJGCHICH-MWLCHTKSSA-N 0 0 172.231 2.273 10 30 AEEERN CC[C@H]1C[C@@]1(C#N)c1ccccn1 160904222 344180172 /nfs/dbraw/zinc/18/01/72/344180172.db2.gz NKAORVMGUCOXEK-ONGXEEELSA-N 0 0 172.231 2.273 10 30 AEEERN CC#CCCC(=O)c1ccccn1 160903857 344180291 /nfs/dbraw/zinc/18/02/91/344180291.db2.gz LXWGETOKEXFGAV-UHFFFAOYSA-N 0 0 173.215 2.068 10 30 AEEERN CC#CCCC(=O)C1CCC1 160924080 344180719 /nfs/dbraw/zinc/18/07/19/344180719.db2.gz AXTYMBUPADQJCC-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CC#CCCC(=O)c1ccoc1 160922479 344180805 /nfs/dbraw/zinc/18/08/05/344180805.db2.gz FQMWFJDFRLYUNJ-UHFFFAOYSA-N 0 0 162.188 2.266 10 30 AEEERN CC#CCCC(=O)c1cc(C)ccn1 160921160 344180826 /nfs/dbraw/zinc/18/08/26/344180826.db2.gz OMYFVTBFJWIROX-UHFFFAOYSA-N 0 0 187.242 2.376 10 30 AEEERN C=CC(=O)c1ccncc1Cl 160935579 344181217 /nfs/dbraw/zinc/18/12/17/344181217.db2.gz CVCBPNFLQOJLPH-UHFFFAOYSA-N 0 0 167.595 2.104 10 30 AEEERN C=CC(=O)[C@@H]1Cc2ccccc2S1 160931875 344181243 /nfs/dbraw/zinc/18/12/43/344181243.db2.gz DZGXZMJSBRBYJH-NSHDSACASA-N 0 0 190.267 2.459 10 30 AEEERN C=CC(=O)[C@H]1Cc2ccccc2S1 160932033 344181265 /nfs/dbraw/zinc/18/12/65/344181265.db2.gz DZGXZMJSBRBYJH-LLVKDONJSA-N 0 0 190.267 2.459 10 30 AEEERN CC#CCCC(=O)C(F)(F)Cl 160961304 344181546 /nfs/dbraw/zinc/18/15/46/344181546.db2.gz OLCNZKXVUIJVMH-UHFFFAOYSA-N 0 0 180.581 2.191 10 30 AEEERN CC#CCCC(=O)c1ccncc1F 160953219 344181636 /nfs/dbraw/zinc/18/16/36/344181636.db2.gz AXKCBUAGBJVROW-UHFFFAOYSA-N 0 0 191.205 2.207 10 30 AEEERN CC#CCCC(=O)c1ccncc1C 160958158 344181651 /nfs/dbraw/zinc/18/16/51/344181651.db2.gz ORMHHRLSNADCOS-UHFFFAOYSA-N 0 0 187.242 2.376 10 30 AEEERN CC#CCCC(=O)c1cncs1 160946469 344181858 /nfs/dbraw/zinc/18/18/58/344181858.db2.gz PKFWKXXGVNGGNM-UHFFFAOYSA-N 0 0 179.244 2.129 10 30 AEEERN CC#CCC[C@@H](O)c1cc(C)ccn1 160987955 344182224 /nfs/dbraw/zinc/18/22/24/344182224.db2.gz DDPOQDOROWIAMW-GFCCVEGCSA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCC[C@@H](O)c1cccc(C)n1 160986961 344182299 /nfs/dbraw/zinc/18/22/99/344182299.db2.gz UOTUMCGNWZTZKB-GFCCVEGCSA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCC[C@H](O)c1ncccc1C 160978887 344182302 /nfs/dbraw/zinc/18/23/02/344182302.db2.gz JWJCYYNYAHMBEF-NSHDSACASA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCC[C@@H](O)c1ncccc1C 160979011 344182376 /nfs/dbraw/zinc/18/23/76/344182376.db2.gz JWJCYYNYAHMBEF-LLVKDONJSA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCCOc1cc(F)ccc1N 160999418 344182766 /nfs/dbraw/zinc/18/27/66/344182766.db2.gz VHFPSNSZZMLAFB-UHFFFAOYSA-N 0 0 193.221 2.200 10 30 AEEERN CC#CCCOc1ccc(N)cc1 160997367 344182874 /nfs/dbraw/zinc/18/28/74/344182874.db2.gz WVYZALUMYCXLHO-UHFFFAOYSA-N 0 0 175.231 2.061 10 30 AEEERN CC#CCCOc1cc(N)ccc1C 161004626 344183092 /nfs/dbraw/zinc/18/30/92/344183092.db2.gz BZGCOCSIHCUXIC-UHFFFAOYSA-N 0 0 189.258 2.369 10 30 AEEERN CC#CCCOc1ccc(N)c(F)c1 161007768 344183269 /nfs/dbraw/zinc/18/32/69/344183269.db2.gz KBKKBJFXYIZZQU-UHFFFAOYSA-N 0 0 193.221 2.200 10 30 AEEERN CC#CCCOc1ccc(N)cc1C 161017205 344183417 /nfs/dbraw/zinc/18/34/17/344183417.db2.gz UGBVVRCASLLSBW-UHFFFAOYSA-N 0 0 189.258 2.369 10 30 AEEERN CC#CCC[C@@H](O)[C@@H]1CCCS1 161031690 344183527 /nfs/dbraw/zinc/18/35/27/344183527.db2.gz WHSAIPAVDNLDOE-ZJUUUORDSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CCC[C@H](O)[C@@H]1CCCS1 161031565 344183612 /nfs/dbraw/zinc/18/36/12/344183612.db2.gz WHSAIPAVDNLDOE-UWVGGRQHSA-N 0 0 184.304 2.046 10 30 AEEERN C=C(C)CC(=O)[C@@H]1CCSC1 161048444 344183880 /nfs/dbraw/zinc/18/38/80/344183880.db2.gz NAULJJSCSVFYET-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN CC#CCC[C@@H](O)[C@H]1CCCS1 161031945 344183882 /nfs/dbraw/zinc/18/38/82/344183882.db2.gz WHSAIPAVDNLDOE-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CCC[C@@H](O)c1ccncc1F 161035758 344183886 /nfs/dbraw/zinc/18/38/86/344183886.db2.gz AJNRXAULOKGYLY-LLVKDONJSA-N 0 0 193.221 2.058 10 30 AEEERN CC#CCC[C@@H](O)[C@]1(C)CCCCO1 161032972 344183887 /nfs/dbraw/zinc/18/38/87/344183887.db2.gz LSTLOWDNVLWEQA-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@@H](O)c1ccncc1C 161040512 344183943 /nfs/dbraw/zinc/18/39/43/344183943.db2.gz YMINLYXJLRZRGZ-GFCCVEGCSA-N 0 0 189.258 2.227 10 30 AEEERN CC#CCC[C@@H](O)[C@@]1(C)CCCCO1 161033231 344183954 /nfs/dbraw/zinc/18/39/54/344183954.db2.gz LSTLOWDNVLWEQA-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@H](O)[C@]1(C)CCCCO1 161032845 344183964 /nfs/dbraw/zinc/18/39/64/344183964.db2.gz LSTLOWDNVLWEQA-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@H](O)c1ccncc1F 161035643 344183991 /nfs/dbraw/zinc/18/39/91/344183991.db2.gz AJNRXAULOKGYLY-NSHDSACASA-N 0 0 193.221 2.058 10 30 AEEERN CC#CCC[C@H](O)c1ccncc1C 161040385 344184001 /nfs/dbraw/zinc/18/40/01/344184001.db2.gz YMINLYXJLRZRGZ-LBPRGKRZSA-N 0 0 189.258 2.227 10 30 AEEERN C#CCCCn1nc(C)c(C)c1C 161072020 344184669 /nfs/dbraw/zinc/18/46/69/344184669.db2.gz DPOOEOPSFLZAEY-UHFFFAOYSA-N 0 0 176.263 2.222 10 30 AEEERN C=C(C)C(=O)[C@]1(C)CCCS1 161105255 344184919 /nfs/dbraw/zinc/18/49/19/344184919.db2.gz FZYUXKLCMKKGCH-VIFPVBQESA-N 0 0 170.277 2.417 10 30 AEEERN C=C(C)C(=O)c1cncc(C)c1 161120886 344184947 /nfs/dbraw/zinc/18/49/47/344184947.db2.gz GIWQTTHROQFVMP-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)C(=O)[C@@]1(C)CCCS1 161105388 344184998 /nfs/dbraw/zinc/18/49/98/344184998.db2.gz FZYUXKLCMKKGCH-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN C=C(C)C(=O)c1ccc(C)nc1C 161116842 344185062 /nfs/dbraw/zinc/18/50/62/344185062.db2.gz GPOAOEMWRXWVQX-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN C=C(C)C(=O)c1csc(C)n1 161120758 344185248 /nfs/dbraw/zinc/18/52/48/344185248.db2.gz MQXHOUTXADESSR-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN CC(C)=CC(=O)c1cncc(F)c1 161086815 344185264 /nfs/dbraw/zinc/18/52/64/344185264.db2.gz CUFXUCOZBHQKHH-UHFFFAOYSA-N 0 0 179.194 2.370 10 30 AEEERN C=C(C)C(=O)c1ccc(C)nc1 161105513 344185306 /nfs/dbraw/zinc/18/53/06/344185306.db2.gz VSMURAUFESBQFW-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)C(=O)Cc1ccsc1 161128978 344185579 /nfs/dbraw/zinc/18/55/79/344185579.db2.gz HOLVEMVRJQJCTC-UHFFFAOYSA-N 0 0 166.245 2.436 10 30 AEEERN C=C(Cl)CNc1ccc(F)cn1 161126091 344185644 /nfs/dbraw/zinc/18/56/44/344185644.db2.gz BDOHRTRUPOVSCZ-UHFFFAOYSA-N 0 0 186.617 2.385 10 30 AEEERN CC#CCC[C@H]([NH3+])c1ccoc1 161129738 344185647 /nfs/dbraw/zinc/18/56/47/344185647.db2.gz KGZXVZLZGDWPSY-JTQLQIEISA-N 0 0 163.220 2.083 10 30 AEEERN C=C(C)C(=O)c1scnc1C 161128105 344185658 /nfs/dbraw/zinc/18/56/58/344185658.db2.gz DVPKTPYCHLMKEE-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN C=C(C)C(=O)c1cccnc1C 161126258 344185732 /nfs/dbraw/zinc/18/57/32/344185732.db2.gz RJYISZNPCHFXGH-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)C(=O)c1ccncc1Cl 161130303 344185863 /nfs/dbraw/zinc/18/58/63/344185863.db2.gz TYSMHZZPUUVIFY-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN Cc1cc(C#N)cc(N2CC=CCC2)n1 161134030 344185798 /nfs/dbraw/zinc/18/57/98/344185798.db2.gz ZOUVAOBFSRHBER-UHFFFAOYSA-N 0 0 199.257 2.028 10 30 AEEERN N#CC#Cc1ccc(Cl)s1 161205946 344186493 /nfs/dbraw/zinc/18/64/93/344186493.db2.gz QYLRCOXEHAHVAE-UHFFFAOYSA-N 0 0 167.620 2.277 10 30 AEEERN C#C[C@H](O)c1cc(F)cc(Cl)c1 161190402 344186652 /nfs/dbraw/zinc/18/66/52/344186652.db2.gz HZBMQPHMADEIRW-VIFPVBQESA-N 0 0 184.597 2.146 10 30 AEEERN Cc1ccc(C#CC#N)cc1F 161220187 344187009 /nfs/dbraw/zinc/18/70/09/344187009.db2.gz KVIFFGUXMNSITF-UHFFFAOYSA-N 0 0 159.163 2.009 10 30 AEEERN N#CC#Cc1cccc(Cl)c1F 161224455 344187088 /nfs/dbraw/zinc/18/70/88/344187088.db2.gz HXJZNTFKGSOIEA-UHFFFAOYSA-N 0 0 179.581 2.354 10 30 AEEERN N#CC#Cc1ccc2c(c1)CCC2 161225239 344187225 /nfs/dbraw/zinc/18/72/25/344187225.db2.gz MVQPPBRJXKFLOL-UHFFFAOYSA-N 0 0 167.211 2.050 10 30 AEEERN CSc1ccccc1C#CC#N 161216061 344187229 /nfs/dbraw/zinc/18/72/29/344187229.db2.gz DPOKKWGGGYDXHV-UHFFFAOYSA-N 0 0 173.240 2.284 10 30 AEEERN CCc1ccsc1C#CC#N 161210758 344187248 /nfs/dbraw/zinc/18/72/48/344187248.db2.gz QDQNEHGUNYSGDB-UHFFFAOYSA-N 0 0 161.229 2.186 10 30 AEEERN C=C(Cl)CNc1cnccc1C#N 161307056 344188688 /nfs/dbraw/zinc/18/86/88/344188688.db2.gz CMBVKLXTMRXWNU-UHFFFAOYSA-N 0 0 193.637 2.118 10 30 AEEERN C1CCC2(C1)CC[C@@H]1O[C@@H]1C2 161378220 344190379 /nfs/dbraw/zinc/19/03/79/344190379.db2.gz XOQDMEREUJIBOM-DTWKUNHWSA-N 0 0 152.237 2.498 10 30 AEEERN CSc1cc(C#N)ccc1[C@@H](C)O 161403893 344190699 /nfs/dbraw/zinc/19/06/99/344190699.db2.gz UJPRDNRLBRVFOM-SSDOTTSWSA-N 0 0 193.271 2.333 10 30 AEEERN CSc1cc(C#N)ccc1C(C)=O 161396600 344190713 /nfs/dbraw/zinc/19/07/13/344190713.db2.gz NRWXDFOQQOXNLI-UHFFFAOYSA-N 0 0 191.255 2.483 10 30 AEEERN CC#CCC[C@H](C)C(C)=O 161389672 344190732 /nfs/dbraw/zinc/19/07/32/344190732.db2.gz NMTOSKOCWFCICX-QMMMGPOBSA-N 0 0 138.210 2.015 10 30 AEEERN CSc1cc(C#N)ccc1[C@H](C)O 161403748 344190777 /nfs/dbraw/zinc/19/07/77/344190777.db2.gz UJPRDNRLBRVFOM-ZETCQYMHSA-N 0 0 193.271 2.333 10 30 AEEERN CC#CCC[C@@H](C)C(C)=O 161389527 344190815 /nfs/dbraw/zinc/19/08/15/344190815.db2.gz NMTOSKOCWFCICX-MRVPVSSYSA-N 0 0 138.210 2.015 10 30 AEEERN CCOc1cc(C#N)ccc1C(C)=O 161392929 344190870 /nfs/dbraw/zinc/19/08/70/344190870.db2.gz KQZCCOGVTQUISJ-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN C#CC1(O)CCC2(CCCC2)CC1 161417967 344191247 /nfs/dbraw/zinc/19/12/47/344191247.db2.gz FDRFIXBAKLKALJ-UHFFFAOYSA-N 0 0 178.275 2.485 10 30 AEEERN CC#CCC[C@]1(O)CCO[C@@H](CC)C1 161491303 344191785 /nfs/dbraw/zinc/19/17/85/344191785.db2.gz NXCHEYWRSXGOSS-RYUDHWBXSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@@]1(O)CCO[C@H](CC)C1 161491434 344191756 /nfs/dbraw/zinc/19/17/56/344191756.db2.gz NXCHEYWRSXGOSS-VXGBXAGGSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@@]1(O)CCO[C@@H](CC)C1 161491556 344191919 /nfs/dbraw/zinc/19/19/19/344191919.db2.gz NXCHEYWRSXGOSS-NWDGAFQWSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@@]1(O)CC[C@H](C)C1 161495380 344191944 /nfs/dbraw/zinc/19/19/44/344191944.db2.gz QIEJJYKZOYWOOL-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@]1(O)CCO[C@H](CC)C1 161491184 344191982 /nfs/dbraw/zinc/19/19/82/344191982.db2.gz NXCHEYWRSXGOSS-NEPJUHHUSA-N 0 0 196.290 2.110 10 30 AEEERN CC#CCC[C@]1(O)CC[C@@H](C)C1 161495494 344192125 /nfs/dbraw/zinc/19/21/25/344192125.db2.gz QIEJJYKZOYWOOL-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@@]1(O)CCCS[C@@H]1C 161511633 344192234 /nfs/dbraw/zinc/19/22/34/344192234.db2.gz MDPRJRPHZFRXNP-GHMZBOCLSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@@](C)(O)C1(C)CC1 161514452 344192290 /nfs/dbraw/zinc/19/22/90/344192290.db2.gz UFUMIEGDQVRCBM-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@@]1(O)CS[C@H](C)C1 161511276 344192294 /nfs/dbraw/zinc/19/22/94/344192294.db2.gz POFFEYWIHMSAGU-ZJUUUORDSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CCC[C@@]1(O)CC[C@@H](C)C1 161495605 344192393 /nfs/dbraw/zinc/19/23/93/344192393.db2.gz QIEJJYKZOYWOOL-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@]1(O)CCCS[C@H]1C 161511690 344192547 /nfs/dbraw/zinc/19/25/47/344192547.db2.gz MDPRJRPHZFRXNP-QWRGUYRKSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@]1(O)CS[C@@H](C)C1 161511201 344192512 /nfs/dbraw/zinc/19/25/12/344192512.db2.gz POFFEYWIHMSAGU-VHSXEESVSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CCC[C@]1(O)CS[C@H](C)C1 161511389 344192549 /nfs/dbraw/zinc/19/25/49/344192549.db2.gz POFFEYWIHMSAGU-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CCC[C@@]1(O)CCCS[C@H]1C 161511793 344192565 /nfs/dbraw/zinc/19/25/65/344192565.db2.gz MDPRJRPHZFRXNP-WDEREUQCSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@](C)(O)C1(C)CC1 161514325 344192644 /nfs/dbraw/zinc/19/26/44/344192644.db2.gz UFUMIEGDQVRCBM-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@@]1(O)CS[C@@H](C)C1 161511117 344192719 /nfs/dbraw/zinc/19/27/19/344192719.db2.gz POFFEYWIHMSAGU-UWVGGRQHSA-N 0 0 184.304 2.046 10 30 AEEERN CC#CCC[C@]1(O)CCCS[C@@H]1C 161511520 344192727 /nfs/dbraw/zinc/19/27/27/344192727.db2.gz MDPRJRPHZFRXNP-MNOVXSKESA-N 0 0 198.331 2.437 10 30 AEEERN O=CCC1(O)CCC2(CCCC2)CC1 161536559 344193094 /nfs/dbraw/zinc/19/30/94/344193094.db2.gz PKMFPEKHQHSAGX-UHFFFAOYSA-N 0 0 196.290 2.441 10 30 AEEERN CC#CCCc1cc(Cl)cnc1N 161689747 344195809 /nfs/dbraw/zinc/19/58/09/344195809.db2.gz MIONSDJHERJLGZ-UHFFFAOYSA-N 0 0 194.665 2.273 10 30 AEEERN CC#CCCC1=CC(=O)CCC1 161718402 344196282 /nfs/dbraw/zinc/19/62/82/344196282.db2.gz AHGKBEASIVNHSW-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN CC#CCC[C@H]1CCC(=O)[C@@H]1C 161717193 344196299 /nfs/dbraw/zinc/19/62/99/344196299.db2.gz XRYCKFRXTABTAH-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC[C@H]1CCC(=O)[C@H]1C 161717370 344196413 /nfs/dbraw/zinc/19/64/13/344196413.db2.gz XRYCKFRXTABTAH-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC[C@@H]1CCC(=O)[C@@H]1C 161717067 344196464 /nfs/dbraw/zinc/19/64/64/344196464.db2.gz XRYCKFRXTABTAH-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCCC1=CC(=O)CC1 161718946 344196532 /nfs/dbraw/zinc/19/65/32/344196532.db2.gz WYDODUYERYBJNE-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN CC#CCC[C@H]1CCC(=O)C1 161710439 344196537 /nfs/dbraw/zinc/19/65/37/344196537.db2.gz RDVAKAYLHGUCQQ-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN CC#CCC[C@@H]1CCC(=O)[C@H]1C 161717280 344196618 /nfs/dbraw/zinc/19/66/18/344196618.db2.gz XRYCKFRXTABTAH-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC[C@@H]1CCC(=O)C1 161710299 344196712 /nfs/dbraw/zinc/19/67/12/344196712.db2.gz RDVAKAYLHGUCQQ-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN CC[C@@](C)(C#N)[C@@H](O)c1nccs1 161768084 344197297 /nfs/dbraw/zinc/19/72/97/344197297.db2.gz DVOGVBFEITWDTJ-CBAPKCEASA-N 0 0 196.275 2.116 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)c1nccs1 161767960 344197312 /nfs/dbraw/zinc/19/73/12/344197312.db2.gz DVOGVBFEITWDTJ-VXNVDRBHSA-N 0 0 196.275 2.116 10 30 AEEERN CC#CCC[C@H]1CCC[C@@H](O)C1 161773881 344197332 /nfs/dbraw/zinc/19/73/32/344197332.db2.gz RDVHKICDXLRDHS-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@@H]1CCC[C@@H](O)C1 161773753 344197386 /nfs/dbraw/zinc/19/73/86/344197386.db2.gz RDVHKICDXLRDHS-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)c1nccs1 161768229 344197412 /nfs/dbraw/zinc/19/74/12/344197412.db2.gz DVOGVBFEITWDTJ-IONNQARKSA-N 0 0 196.275 2.116 10 30 AEEERN CC#CCC[C@H]1CCC[C@H](O)C1 161773632 344197429 /nfs/dbraw/zinc/19/74/29/344197429.db2.gz RDVHKICDXLRDHS-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC[C@@](C)(C#N)[C@H](O)c1nccs1 161767831 344197451 /nfs/dbraw/zinc/19/74/51/344197451.db2.gz DVOGVBFEITWDTJ-APPZFPTMSA-N 0 0 196.275 2.116 10 30 AEEERN CC#CCC[C@@H]1CCC[C@H](O)C1 161773520 344197569 /nfs/dbraw/zinc/19/75/69/344197569.db2.gz RDVHKICDXLRDHS-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC#CCC[C@@H]1CC[C@H](O)[C@@H]1C 161784619 344197991 /nfs/dbraw/zinc/19/79/91/344197991.db2.gz HWDDWAYNVVBAAK-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN CC#CCC[C@@H]1CC[C@@H](O)[C@@H]1C 161784868 344198277 /nfs/dbraw/zinc/19/82/77/344198277.db2.gz HWDDWAYNVVBAAK-GMTAPVOTSA-N 0 0 166.264 2.197 10 30 AEEERN CC#CCC[C@H](O)c1scnc1C 161850044 344199219 /nfs/dbraw/zinc/19/92/19/344199219.db2.gz KTTRBCYUGNZAJJ-VIFPVBQESA-N 0 0 195.287 2.288 10 30 AEEERN CC#CCC[C@@H](O)c1scnc1C 161850146 344199296 /nfs/dbraw/zinc/19/92/96/344199296.db2.gz KTTRBCYUGNZAJJ-SECBINFHSA-N 0 0 195.287 2.288 10 30 AEEERN CC#CCC[C@H](O)[C@]1(C)CCCS1 161861062 344199362 /nfs/dbraw/zinc/19/93/62/344199362.db2.gz KSOVOWYRYDBOJS-QWRGUYRKSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@@H](O)[C@@]1(C)CCCS1 161861482 344199639 /nfs/dbraw/zinc/19/96/39/344199639.db2.gz KSOVOWYRYDBOJS-GHMZBOCLSA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@@H](O)[C@]1(C)CCCS1 161861206 344199965 /nfs/dbraw/zinc/19/99/65/344199965.db2.gz KSOVOWYRYDBOJS-MNOVXSKESA-N 0 0 198.331 2.437 10 30 AEEERN CC#CCC[C@H](O)[C@@]1(C)CCCS1 161861341 344200050 /nfs/dbraw/zinc/20/00/50/344200050.db2.gz KSOVOWYRYDBOJS-WDEREUQCSA-N 0 0 198.331 2.437 10 30 AEEERN O=C(C1=COCCC1)[C@@H]1CCSC1 161909164 344200378 /nfs/dbraw/zinc/20/03/78/344200378.db2.gz HMVJJTKWASLMMF-SECBINFHSA-N 0 0 198.287 2.003 10 30 AEEERN C#CC[C@@H](C)Nc1ccc(C)cn1 161934490 344201026 /nfs/dbraw/zinc/20/10/26/344201026.db2.gz UATRLCOJGPYJMZ-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC[C@H](C)Nc1ccc(C)cn1 161934345 344201055 /nfs/dbraw/zinc/20/10/55/344201055.db2.gz UATRLCOJGPYJMZ-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN C[C@H]1C[C@H](C(=O)C2=CCCC2)CO1 161980138 344201383 /nfs/dbraw/zinc/20/13/83/344201383.db2.gz OVSXTWNQPCULBI-WPRPVWTQSA-N 0 0 180.247 2.091 10 30 AEEERN C[C@@H]1C[C@@H](C(=O)C2=CCCC2)CO1 161980238 344201438 /nfs/dbraw/zinc/20/14/38/344201438.db2.gz OVSXTWNQPCULBI-PSASIEDQSA-N 0 0 180.247 2.091 10 30 AEEERN C[C@H]1C[C@@H](C(=O)C2=CCCC2)CO1 161980361 344201442 /nfs/dbraw/zinc/20/14/42/344201442.db2.gz OVSXTWNQPCULBI-WCBMZHEXSA-N 0 0 180.247 2.091 10 30 AEEERN C[C@@H]1C[C@H](C(=O)C2=CCCC2)CO1 161980030 344201658 /nfs/dbraw/zinc/20/16/58/344201658.db2.gz OVSXTWNQPCULBI-SCZZXKLOSA-N 0 0 180.247 2.091 10 30 AEEERN CC#CCCC(=O)[C@H]1CCSC1 162004076 344202045 /nfs/dbraw/zinc/20/20/45/344202045.db2.gz FCGCJBQLOFCPIM-VIFPVBQESA-N 0 0 182.288 2.112 10 30 AEEERN CC#CCCC(=O)c1cncc(F)c1 162009760 344202144 /nfs/dbraw/zinc/20/21/44/344202144.db2.gz BBZOCLFUNUCQLZ-UHFFFAOYSA-N 0 0 191.205 2.207 10 30 AEEERN CC#CCCC(=O)c1scnc1C 162014427 344202176 /nfs/dbraw/zinc/20/21/76/344202176.db2.gz ABZDJHUTLKNEDX-UHFFFAOYSA-N 0 0 193.271 2.438 10 30 AEEERN CC#CCCC(=O)[C@@H]1CCSC1 162003928 344202246 /nfs/dbraw/zinc/20/22/46/344202246.db2.gz FCGCJBQLOFCPIM-SECBINFHSA-N 0 0 182.288 2.112 10 30 AEEERN COc1cccc(Cl)c1CC=O 162092813 344203136 /nfs/dbraw/zinc/20/31/36/344203136.db2.gz MOXARFDYISOCON-UHFFFAOYSA-N 0 0 184.622 2.090 10 30 AEEERN C#CC[C@H](O)C1CCC(F)(F)CC1 162194214 344204894 /nfs/dbraw/zinc/20/48/94/344204894.db2.gz HBGSACTUSBQTFK-VIFPVBQESA-N 0 0 188.217 2.196 10 30 AEEERN C=CCC(=O)Nc1cccc(Cl)n1 162222895 344205264 /nfs/dbraw/zinc/20/52/64/344205264.db2.gz IOBLTEANJJIITM-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN C=CCC(=O)Nc1cc(Cl)ccn1 162244082 344205277 /nfs/dbraw/zinc/20/52/77/344205277.db2.gz RRCTYCUCGSUWBZ-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN Cc1ccc(C(=O)[C@@H](C)CC#N)cn1 162316288 344205909 /nfs/dbraw/zinc/20/59/09/344205909.db2.gz RQALBVYYSNUXRL-QMMMGPOBSA-N 0 0 188.230 2.123 10 30 AEEERN Cc1ccc(C(=O)[C@H](C)CC#N)cn1 162316403 344205996 /nfs/dbraw/zinc/20/59/96/344205996.db2.gz RQALBVYYSNUXRL-MRVPVSSYSA-N 0 0 188.230 2.123 10 30 AEEERN C#CCC(=O)c1cc(C)cc(F)c1 162533191 344209351 /nfs/dbraw/zinc/20/93/51/344209351.db2.gz JCWGUMNBXHXTJF-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN O=C(C1=CCCC1)C(F)(F)F 162576305 344210362 /nfs/dbraw/zinc/21/03/62/344210362.db2.gz BZLWDZFRNAHBCF-UHFFFAOYSA-N 0 0 164.126 2.228 10 30 AEEERN C#CC[C@@](C)(O)Cc1ccc(F)cc1 162611992 344210938 /nfs/dbraw/zinc/21/09/38/344210938.db2.gz IJAYMBREPHODAK-GFCCVEGCSA-N 0 0 192.233 2.143 10 30 AEEERN C#CC[C@@](C)(O)Cc1cccc(F)c1 162618384 344211211 /nfs/dbraw/zinc/21/12/11/344211211.db2.gz GYUZLUROPXHLCH-GFCCVEGCSA-N 0 0 192.233 2.143 10 30 AEEERN C#CC[C@](C)(O)Cc1cccc(F)c1 162618486 344211365 /nfs/dbraw/zinc/21/13/65/344211365.db2.gz GYUZLUROPXHLCH-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN C#CC[C@](C)(O)Cc1ccc(F)cc1 162612122 344211378 /nfs/dbraw/zinc/21/13/78/344211378.db2.gz IJAYMBREPHODAK-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN C[C@@]1(Cc2ccc(F)cc2)CO1 162700226 344212119 /nfs/dbraw/zinc/21/21/19/344212119.db2.gz UGDNDYSRXUJJIX-SNVBAGLBSA-N 0 0 166.195 2.157 10 30 AEEERN C[C@]1(Cc2ccc(F)cc2)CO1 162700106 344212196 /nfs/dbraw/zinc/21/21/96/344212196.db2.gz UGDNDYSRXUJJIX-JTQLQIEISA-N 0 0 166.195 2.157 10 30 AEEERN C[C@](O)(CC#N)Cc1ccccc1F 162731656 344212605 /nfs/dbraw/zinc/21/26/05/344212605.db2.gz WFNMXKHZADQPRQ-NSHDSACASA-N 0 0 193.221 2.033 10 30 AEEERN CO[C@@](C)(C#N)Cc1ccccc1F 162725284 344212717 /nfs/dbraw/zinc/21/27/17/344212717.db2.gz LCWNNPIIYZOALO-LLVKDONJSA-N 0 0 193.221 2.297 10 30 AEEERN C[C@@](O)(CC#N)Cc1ccccc1F 162731550 344212773 /nfs/dbraw/zinc/21/27/73/344212773.db2.gz WFNMXKHZADQPRQ-LLVKDONJSA-N 0 0 193.221 2.033 10 30 AEEERN C#CC(=O)c1cccc(C)c1C 162806515 344213834 /nfs/dbraw/zinc/21/38/34/344213834.db2.gz MDAPXKURCICUHI-UHFFFAOYSA-N 0 0 158.200 2.119 10 30 AEEERN C#CC(=O)CCC1CCCC1 162803506 344213885 /nfs/dbraw/zinc/21/38/85/344213885.db2.gz ZGBUEMIYUIPNLF-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C#CC(=O)c1ccc(CC)s1 162801505 344214072 /nfs/dbraw/zinc/21/40/72/344214072.db2.gz RFERBQHTRHCJCV-UHFFFAOYSA-N 0 0 164.229 2.126 10 30 AEEERN CC[C@H](C#N)C(=O)N[C@H](C)C(C)(C)C 162799934 344214118 /nfs/dbraw/zinc/21/41/18/344214118.db2.gz QEFNOCZWYCLFKP-RKDXNWHRSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@H](C#N)C(=O)N[C@H](C)C(C)(C)C 162799814 344214157 /nfs/dbraw/zinc/21/41/57/344214157.db2.gz QEFNOCZWYCLFKP-BDAKNGLRSA-N 0 0 196.294 2.087 10 30 AEEERN C#CC(=O)c1ccc(C)c(C)c1 162808507 344214176 /nfs/dbraw/zinc/21/41/76/344214176.db2.gz VUIOCUOMZSCASO-UHFFFAOYSA-N 0 0 158.200 2.119 10 30 AEEERN C[C@H](NC1=CC(=O)CC1)C(C)(C)C 162849122 344215133 /nfs/dbraw/zinc/21/51/33/344215133.db2.gz VBZJGCYLHVTPBD-QMMMGPOBSA-N 0 0 181.279 2.257 10 30 AEEERN C[C@@H](NC1=CC(=O)CC1)C(C)(C)C 162849244 344215169 /nfs/dbraw/zinc/21/51/69/344215169.db2.gz VBZJGCYLHVTPBD-MRVPVSSYSA-N 0 0 181.279 2.257 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)c(OC)c1 162932021 344216401 /nfs/dbraw/zinc/21/64/01/344216401.db2.gz GZZMOTULICXGSU-MRVPVSSYSA-N 0 0 193.221 2.268 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)c(OC)c1 162931912 344216653 /nfs/dbraw/zinc/21/66/53/344216653.db2.gz GZZMOTULICXGSU-QMMMGPOBSA-N 0 0 193.221 2.268 10 30 AEEERN C=CC(=O)c1ccc(CC)o1 162966961 344217111 /nfs/dbraw/zinc/21/71/11/344217111.db2.gz WYTGAMYTAAPUKX-UHFFFAOYSA-N 0 0 150.177 2.211 10 30 AEEERN CN[C@H](C#N)c1cc(Cl)ccc1F 163002738 344217569 /nfs/dbraw/zinc/21/75/69/344217569.db2.gz WXRQNKUEXCOBSD-SECBINFHSA-N 0 0 198.628 2.263 10 30 AEEERN CN[C@@H](C#N)c1ccc(Cl)cc1F 163002844 344217630 /nfs/dbraw/zinc/21/76/30/344217630.db2.gz KLCGTALVCBTLRP-VIFPVBQESA-N 0 0 198.628 2.263 10 30 AEEERN CN[C@H](C#N)c1ccc(Cl)cc1F 163002948 344217638 /nfs/dbraw/zinc/21/76/38/344217638.db2.gz KLCGTALVCBTLRP-SECBINFHSA-N 0 0 198.628 2.263 10 30 AEEERN CN[C@@H](C#N)c1cc(Cl)ccc1F 163002620 344217756 /nfs/dbraw/zinc/21/77/56/344217756.db2.gz WXRQNKUEXCOBSD-VIFPVBQESA-N 0 0 198.628 2.263 10 30 AEEERN CC#CCCOc1c(N)cccc1F 163020999 344218105 /nfs/dbraw/zinc/21/81/05/344218105.db2.gz WLAYSXROEOHTAL-UHFFFAOYSA-N 0 0 193.221 2.200 10 30 AEEERN N#Cc1nccn1[C@@H]1C=CCCC1 163091686 344219331 /nfs/dbraw/zinc/21/93/31/344219331.db2.gz ODVAQYGBOHCFJC-SECBINFHSA-N 0 0 173.219 2.036 10 30 AEEERN N#Cc1nccn1[C@H]1C=CCCC1 163091604 344219376 /nfs/dbraw/zinc/21/93/76/344219376.db2.gz ODVAQYGBOHCFJC-VIFPVBQESA-N 0 0 173.219 2.036 10 30 AEEERN CC1(C)CCC(OCC#N)CC1 163215209 344220531 /nfs/dbraw/zinc/22/05/31/344220531.db2.gz NJPDQNHDCPANGL-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C#CCCCC1(O)CCCCC1 163209594 344220633 /nfs/dbraw/zinc/22/06/33/344220633.db2.gz FOFIKZZIXIKRLQ-UHFFFAOYSA-N 0 0 166.264 2.485 10 30 AEEERN C#CCCC[C@@]1(O)CC[C@@H](C)C1 163251941 344220868 /nfs/dbraw/zinc/22/08/68/344220868.db2.gz ZZJJUZPSCOJHAK-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@]1(O)CS[C@@H](C)C1 163269343 344220872 /nfs/dbraw/zinc/22/08/72/344220872.db2.gz IOWSXRVFOYPBPJ-VHSXEESVSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCCC[C@@]1(O)CC[C@H](C)C1 163252051 344220891 /nfs/dbraw/zinc/22/08/91/344220891.db2.gz ZZJJUZPSCOJHAK-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@]1(O)CS[C@H](C)C1 163269234 344220904 /nfs/dbraw/zinc/22/09/04/344220904.db2.gz IOWSXRVFOYPBPJ-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCCC[C@]1(O)CCOC(C)(C)C1 163249768 344220913 /nfs/dbraw/zinc/22/09/13/344220913.db2.gz SAYICEXMTMDRLM-LBPRGKRZSA-N 0 0 196.290 2.110 10 30 AEEERN C#CCCC[C@@]1(O)CCOC(C)(C)C1 163249851 344220933 /nfs/dbraw/zinc/22/09/33/344220933.db2.gz SAYICEXMTMDRLM-GFCCVEGCSA-N 0 0 196.290 2.110 10 30 AEEERN C#CCCC[C@]1(O)CC[C@H](C)C1 163252259 344221079 /nfs/dbraw/zinc/22/10/79/344221079.db2.gz ZZJJUZPSCOJHAK-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@]1(O)CC[C@@H](C)C1 163252158 344221094 /nfs/dbraw/zinc/22/10/94/344221094.db2.gz ZZJJUZPSCOJHAK-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@]1(O)CCCS[C@H]1C 163269856 344221498 /nfs/dbraw/zinc/22/14/98/344221498.db2.gz MREKESOWTWBOGJ-QWRGUYRKSA-N 0 0 198.331 2.437 10 30 AEEERN C#CCCC[C@]1(O)CCCS[C@@H]1C 163269710 344221504 /nfs/dbraw/zinc/22/15/04/344221504.db2.gz MREKESOWTWBOGJ-MNOVXSKESA-N 0 0 198.331 2.437 10 30 AEEERN C#CCCC[C@@]1(O)CCCS[C@@H]1C 163269989 344221508 /nfs/dbraw/zinc/22/15/08/344221508.db2.gz MREKESOWTWBOGJ-GHMZBOCLSA-N 0 0 198.331 2.437 10 30 AEEERN C#C[C@H](O)c1cc(Cl)ccc1F 163282456 344221553 /nfs/dbraw/zinc/22/15/53/344221553.db2.gz DBUZQKVAJZHUFY-VIFPVBQESA-N 0 0 184.597 2.146 10 30 AEEERN C#CCCC[C@@]1(O)CS[C@@H](C)C1 163269591 344221561 /nfs/dbraw/zinc/22/15/61/344221561.db2.gz IOWSXRVFOYPBPJ-UWVGGRQHSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCCC[C@@]1(O)CCCS[C@H]1C 163270117 344221618 /nfs/dbraw/zinc/22/16/18/344221618.db2.gz MREKESOWTWBOGJ-WDEREUQCSA-N 0 0 198.331 2.437 10 30 AEEERN O=CCc1cccc(F)c1Cl 163457380 344223470 /nfs/dbraw/zinc/22/34/70/344223470.db2.gz NPAMZERHVXCYEW-UHFFFAOYSA-N 0 0 172.586 2.221 10 30 AEEERN Cc1cc(F)c(C#N)cc1C 163499530 344224073 /nfs/dbraw/zinc/22/40/73/344224073.db2.gz NJLUQXUYFCDJEO-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN O=C(C1=COCCC1)C1CCCC1 163488644 344224143 /nfs/dbraw/zinc/22/41/43/344224143.db2.gz WQOMRQNNFJRUPC-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN C#CC[C@H](C)[C@@H](O)c1ccccc1 163503117 344224268 /nfs/dbraw/zinc/22/42/68/344224268.db2.gz DMEMPDYTEUGVCG-CMPLNLGQSA-N 0 0 174.243 2.379 10 30 AEEERN Cc1cc(C#CCCCO)cs1 163523325 344224512 /nfs/dbraw/zinc/22/45/12/344224512.db2.gz VMUAFDMOQRUCCO-UHFFFAOYSA-N 0 0 180.272 2.181 10 30 AEEERN OCCCC#Cc1cc(F)ccc1F 163520895 344224570 /nfs/dbraw/zinc/22/45/70/344224570.db2.gz FZQXHYOPFDSXCO-UHFFFAOYSA-N 0 0 196.196 2.089 10 30 AEEERN CCc1cccc(C#CCCCO)c1 163527701 344224683 /nfs/dbraw/zinc/22/46/83/344224683.db2.gz MKVKHRDBYUEZFS-UHFFFAOYSA-N 0 0 188.270 2.373 10 30 AEEERN OCCCC#Cc1cccc(F)c1F 163522966 344224772 /nfs/dbraw/zinc/22/47/72/344224772.db2.gz ILUXCOUHSWOPEL-UHFFFAOYSA-N 0 0 196.196 2.089 10 30 AEEERN Cc1ccc(F)c(C#CCCCO)c1 163519018 344224819 /nfs/dbraw/zinc/22/48/19/344224819.db2.gz PYVQWFDWPLXMLG-UHFFFAOYSA-N 0 0 192.233 2.258 10 30 AEEERN OCCCC#Cc1ccc(F)cc1F 163520630 344224841 /nfs/dbraw/zinc/22/48/41/344224841.db2.gz PZAKRUBBWJMTSX-UHFFFAOYSA-N 0 0 196.196 2.089 10 30 AEEERN C#CCCCN1CCCCCCC1=O 163567995 344225186 /nfs/dbraw/zinc/22/51/86/344225186.db2.gz VRPDREFSLMWUHG-UHFFFAOYSA-N 0 0 193.290 2.193 10 30 AEEERN C#CCCCN1CC[C@@H](C)CCC1=O 163571506 344225243 /nfs/dbraw/zinc/22/52/43/344225243.db2.gz XGXRXXACYPKCBY-NSHDSACASA-N 0 0 193.290 2.048 10 30 AEEERN C#CCCCN1CC[C@H](C)CCC1=O 163571380 344225315 /nfs/dbraw/zinc/22/53/15/344225315.db2.gz XGXRXXACYPKCBY-LLVKDONJSA-N 0 0 193.290 2.048 10 30 AEEERN C#CCCCn1ncc2ccccc21 163569001 344225332 /nfs/dbraw/zinc/22/53/32/344225332.db2.gz KVQXYPOKCJMMIJ-UHFFFAOYSA-N 0 0 184.242 2.450 10 30 AEEERN O=CCc1cc(Cl)cc2c1OCC2 163590466 344225464 /nfs/dbraw/zinc/22/54/64/344225464.db2.gz HKZDGNBROBDOOD-UHFFFAOYSA-N 0 0 196.633 2.016 10 30 AEEERN C#CCCC[C@H]1CCC(=O)C1 163662432 344226126 /nfs/dbraw/zinc/22/61/26/344226126.db2.gz WCXJXNCYPZSBNV-VIFPVBQESA-N 0 0 150.221 2.159 10 30 AEEERN C#CCCC[C@@H]1CCC(=O)[C@@H]1C 163664525 344226225 /nfs/dbraw/zinc/22/62/25/344226225.db2.gz OHBGEXJWHDQTNM-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCCC[C@@H]1CCC(=O)[C@H]1C 163664628 344226256 /nfs/dbraw/zinc/22/62/56/344226256.db2.gz OHBGEXJWHDQTNM-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCCC[C@@H]1CCC(=O)C1 163662315 344226307 /nfs/dbraw/zinc/22/63/07/344226307.db2.gz WCXJXNCYPZSBNV-SECBINFHSA-N 0 0 150.221 2.159 10 30 AEEERN C#CCCC[C@H]1CCC(=O)[C@@H]1C 163664735 344226350 /nfs/dbraw/zinc/22/63/50/344226350.db2.gz OHBGEXJWHDQTNM-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCCC[C@H]1CCC(=O)[C@H]1C 163664843 344226423 /nfs/dbraw/zinc/22/64/23/344226423.db2.gz OHBGEXJWHDQTNM-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCCC[C@@H]1CCC[C@@H](O)C1 163686442 344226663 /nfs/dbraw/zinc/22/66/63/344226663.db2.gz LBPILPGURFOTLU-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@@H]1CCC[C@H](O)C1 163686253 344226667 /nfs/dbraw/zinc/22/66/67/344226667.db2.gz LBPILPGURFOTLU-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@@H]1CC[C@H](O)[C@@H]1C 163689795 344226679 /nfs/dbraw/zinc/22/66/79/344226679.db2.gz JIINLOBWVQPBPM-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C#CCCCC1=C[C@H](O)CCC1 163690270 344226736 /nfs/dbraw/zinc/22/67/36/344226736.db2.gz GLRYBFGXZDMLFF-LLVKDONJSA-N 0 0 164.248 2.261 10 30 AEEERN C#CCCC[C@H]1CCC[C@@H](O)C1 163686532 344226761 /nfs/dbraw/zinc/22/67/61/344226761.db2.gz LBPILPGURFOTLU-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN C#CCCC[C@@H]1CC[C@H](O)[C@H]1C 163689912 344226773 /nfs/dbraw/zinc/22/67/73/344226773.db2.gz JIINLOBWVQPBPM-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C#CCCCC1=C[C@@H](O)CCC1 163690364 344226778 /nfs/dbraw/zinc/22/67/78/344226778.db2.gz GLRYBFGXZDMLFF-NSHDSACASA-N 0 0 164.248 2.261 10 30 AEEERN CCC[C@H]1CCN([C@@H](C)C#N)C1 163711872 344227456 /nfs/dbraw/zinc/22/74/56/344227456.db2.gz XEYCTRXESOFMHU-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CCC[C@@H]1CCN([C@@H](C)C#N)C1 163711733 344227519 /nfs/dbraw/zinc/22/75/19/344227519.db2.gz XEYCTRXESOFMHU-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN C=CCC(=O)c1ccoc1C 163724658 344227806 /nfs/dbraw/zinc/22/78/06/344227806.db2.gz ZDPBFSOBATUPRX-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN CC=C=CC(=O)c1ccoc1C 163725431 344227912 /nfs/dbraw/zinc/22/79/12/344227912.db2.gz GVBNBMNFHDWXSY-UHFFFAOYSA-N 0 0 162.188 2.184 10 30 AEEERN C=C(C)C(=O)c1ccoc1C 163734545 344228435 /nfs/dbraw/zinc/22/84/35/344228435.db2.gz QQPYNQSCPPDOOY-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN C#CCC[C@H](O)c1ccoc1C 163746120 344229018 /nfs/dbraw/zinc/22/90/18/344229018.db2.gz JTNOLJHZYLVULH-JTQLQIEISA-N 0 0 164.204 2.035 10 30 AEEERN C#CCC[C@@H](O)c1ccoc1C 163745994 344229047 /nfs/dbraw/zinc/22/90/47/344229047.db2.gz JTNOLJHZYLVULH-SNVBAGLBSA-N 0 0 164.204 2.035 10 30 AEEERN [N-]=[N+]=Nc1ncncc1Cl 163826732 344230938 /nfs/dbraw/zinc/23/09/38/344230938.db2.gz PTABLTKZYIAFBE-UHFFFAOYSA-N 0 0 155.548 2.072 10 30 AEEERN CC(C)C[C@@H]1O[C@H]1C(C)C 163847769 344231135 /nfs/dbraw/zinc/23/11/35/344231135.db2.gz QTSWPFXOWFUSOP-IUCAKERBSA-N 0 0 142.242 2.456 10 30 AEEERN CC(C)C[C@H]1O[C@@H]1C(C)C 163847895 344231138 /nfs/dbraw/zinc/23/11/38/344231138.db2.gz QTSWPFXOWFUSOP-RKDXNWHRSA-N 0 0 142.242 2.456 10 30 AEEERN CC(C)C[C@@H]1O[C@@H]1C(C)C 163848011 344231142 /nfs/dbraw/zinc/23/11/42/344231142.db2.gz QTSWPFXOWFUSOP-DTWKUNHWSA-N 0 0 142.242 2.456 10 30 AEEERN CC(C)C[C@H]1O[C@H]1C(C)C 163847646 344231185 /nfs/dbraw/zinc/23/11/85/344231185.db2.gz QTSWPFXOWFUSOP-BDAKNGLRSA-N 0 0 142.242 2.456 10 30 AEEERN COc1ccc2c(c1)C/C(=N/O)CC2 163855200 344231682 /nfs/dbraw/zinc/23/16/82/344231682.db2.gz NEMOWGVHPDJJRU-ZRDIBKRKSA-N 0 0 191.230 2.014 10 30 AEEERN C=C(C)C(=O)c1occc1C 163868498 344231716 /nfs/dbraw/zinc/23/17/16/344231716.db2.gz JTSBKDMRNJTXEI-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN CC#CCCC(=O)[C@@H]1C[C@H]1C 163886447 344232078 /nfs/dbraw/zinc/23/20/78/344232078.db2.gz SCIXQHLGNQQGPO-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CC[C@H](O)c1occc1C 163879396 344232145 /nfs/dbraw/zinc/23/21/45/344232145.db2.gz WUJPGKMKIPKVBJ-VIFPVBQESA-N 0 0 164.204 2.035 10 30 AEEERN CC#CCCC(=O)[C@H]1C[C@H]1C 163886552 344232216 /nfs/dbraw/zinc/23/22/16/344232216.db2.gz SCIXQHLGNQQGPO-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCCC(=O)[C@@H]1C[C@@H]1C 163886244 344232268 /nfs/dbraw/zinc/23/22/68/344232268.db2.gz SCIXQHLGNQQGPO-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCCC(=O)[C@H]1C[C@@H]1C 163886339 344232315 /nfs/dbraw/zinc/23/23/15/344232315.db2.gz SCIXQHLGNQQGPO-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN Cc1ccc(F)cc1CC[C@H]1CO1 163993864 344234818 /nfs/dbraw/zinc/23/48/18/344234818.db2.gz OMXNYTJWNZJCNZ-NSHDSACASA-N 0 0 180.222 2.466 10 30 AEEERN Cc1ccc(F)cc1CC[C@@H]1CO1 163993761 344235054 /nfs/dbraw/zinc/23/50/54/344235054.db2.gz OMXNYTJWNZJCNZ-LLVKDONJSA-N 0 0 180.222 2.466 10 30 AEEERN COC1CCC(Cl)(C#N)CC1 164325527 344241772 /nfs/dbraw/zinc/24/17/72/344241772.db2.gz GZWZPMNQBCMVNL-UHFFFAOYSA-N 0 0 173.643 2.077 10 30 AEEERN C#C[C@](O)(CC)c1cccc(F)c1 164108947 344236899 /nfs/dbraw/zinc/23/68/99/344236899.db2.gz WUMXPZDQMIYVJJ-NSHDSACASA-N 0 0 178.206 2.057 10 30 AEEERN C[C@@H](C=O)CC1CCC1 164101480 344237114 /nfs/dbraw/zinc/23/71/14/344237114.db2.gz HRNAUPHLMBJIKS-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN CC[C@@]1(c2cccc(F)c2)CO1 164132785 344237411 /nfs/dbraw/zinc/23/74/11/344237411.db2.gz NFPPHOVWOXPMKY-JTQLQIEISA-N 0 0 166.195 2.461 10 30 AEEERN CC[C@]1(c2cccc(F)c2)CO1 164132660 344237470 /nfs/dbraw/zinc/23/74/70/344237470.db2.gz NFPPHOVWOXPMKY-SNVBAGLBSA-N 0 0 166.195 2.461 10 30 AEEERN C=C(Cl)COC1CCC(=O)CC1 164149311 344237752 /nfs/dbraw/zinc/23/77/52/344237752.db2.gz YGEOITJYYCHKKC-UHFFFAOYSA-N 0 0 188.654 2.267 10 30 AEEERN OCC#Cc1ccc(C2CCC2)cc1 164146047 344238028 /nfs/dbraw/zinc/23/80/28/344238028.db2.gz VOJIKRTZPALDAS-UHFFFAOYSA-N 0 0 186.254 2.298 10 30 AEEERN C=C[C@@H](C)OC1CCC(=O)CC1 164153831 344238359 /nfs/dbraw/zinc/23/83/59/344238359.db2.gz KJRKQZHZUQCVOK-MRVPVSSYSA-N 0 0 168.236 2.089 10 30 AEEERN C=C[C@H](C)OC1CCC(=O)CC1 164153717 344238484 /nfs/dbraw/zinc/23/84/84/344238484.db2.gz KJRKQZHZUQCVOK-QMMMGPOBSA-N 0 0 168.236 2.089 10 30 AEEERN CC[C@@H](C#N)OC1CCC(=NO)CC1 164186884 344238665 /nfs/dbraw/zinc/23/86/65/344238665.db2.gz OXMOAAKKBSVKQK-RGURZIINSA-N 0 0 196.250 2.078 10 30 AEEERN CC(C)OC1CCC(=NO)CC1 164184917 344238788 /nfs/dbraw/zinc/23/87/88/344238788.db2.gz JQRXERVCWNNTGS-UHFFFAOYSA-N 0 0 171.240 2.184 10 30 AEEERN CC[C@H](C#N)OC1CCC(=NO)CC1 164187000 344238925 /nfs/dbraw/zinc/23/89/25/344238925.db2.gz OXMOAAKKBSVKQK-YHMJZVADSA-N 0 0 196.250 2.078 10 30 AEEERN C[C@@H]1O[C@@H]1c1cccc(F)c1 164193157 344239304 /nfs/dbraw/zinc/23/93/04/344239304.db2.gz KMVKQNSUXWSZEN-RCOVLWMOSA-N 0 0 152.168 2.286 10 30 AEEERN C[C@H]1O[C@H]1c1cccc(F)c1 164192812 344239311 /nfs/dbraw/zinc/23/93/11/344239311.db2.gz KMVKQNSUXWSZEN-HZGVNTEJSA-N 0 0 152.168 2.286 10 30 AEEERN C[C@@H]1O[C@H]1c1cccc(F)c1 164192924 344239439 /nfs/dbraw/zinc/23/94/39/344239439.db2.gz KMVKQNSUXWSZEN-IMTBSYHQSA-N 0 0 152.168 2.286 10 30 AEEERN C[C@H]1O[C@@H]1c1cccc(F)c1 164193043 344239441 /nfs/dbraw/zinc/23/94/41/344239441.db2.gz KMVKQNSUXWSZEN-MUWHJKNJSA-N 0 0 152.168 2.286 10 30 AEEERN C=CCC(=O)c1coc(C)c1 164378242 344243771 /nfs/dbraw/zinc/24/37/71/344243771.db2.gz XYGNLQBQIRUFIP-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN COC1CCC(=CC(C)=O)CC1 164368555 344243817 /nfs/dbraw/zinc/24/38/17/344243817.db2.gz DEKJYJQZDVMTHW-UHFFFAOYSA-N 0 0 168.236 2.091 10 30 AEEERN C=CCCNC(=O)C[C@H](C)CC 164446779 344245045 /nfs/dbraw/zinc/24/50/45/344245045.db2.gz CCNACMWLGZKCAS-SECBINFHSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCNC(=O)C[C@@H](C)CC 164446913 344245102 /nfs/dbraw/zinc/24/51/02/344245102.db2.gz CCNACMWLGZKCAS-VIFPVBQESA-N 0 0 169.268 2.115 10 30 AEEERN CO/N=C/c1cccc2cc[nH]c12 164563648 344246609 /nfs/dbraw/zinc/24/66/09/344246609.db2.gz WVBQBHOQFUQPDA-KPKJPENVSA-N 0 0 174.203 2.148 10 30 AEEERN Fc1ccc([C@@H]2CO2)c(F)c1F 164825056 344252877 /nfs/dbraw/zinc/25/28/77/344252877.db2.gz VEGULZWETYKTCP-LURJTMIESA-N 0 0 174.121 2.175 10 30 AEEERN C=C[C@]1(O)CCC[C@H]1CC 164815674 344252977 /nfs/dbraw/zinc/25/29/77/344252977.db2.gz WUSSGCKGGMSTCZ-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@@]1(O)CCC[C@@H]1CC 164815558 344253006 /nfs/dbraw/zinc/25/30/06/344253006.db2.gz WUSSGCKGGMSTCZ-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@]1(O)CCC[C@@H]1CC 164815776 344253029 /nfs/dbraw/zinc/25/30/29/344253029.db2.gz WUSSGCKGGMSTCZ-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=C[C@@]1(O)CCC[C@H]1CC 164815430 344253037 /nfs/dbraw/zinc/25/30/37/344253037.db2.gz WUSSGCKGGMSTCZ-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)C(=O)c1cnccc1C 164817573 344253065 /nfs/dbraw/zinc/25/30/65/344253065.db2.gz LPIVHSDDDINQDY-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN Fc1ccc([C@H]2CO2)c(F)c1F 164825159 344253090 /nfs/dbraw/zinc/25/30/90/344253090.db2.gz VEGULZWETYKTCP-ZCFIWIBFSA-N 0 0 174.121 2.175 10 30 AEEERN CC#CCCC(=O)c1cnccc1C 164844700 344253452 /nfs/dbraw/zinc/25/34/52/344253452.db2.gz DXYZRKSPVAPGPT-UHFFFAOYSA-N 0 0 187.242 2.376 10 30 AEEERN O=C[C@H]1[C@H]2c3ccccc3CC[C@H]21 164833429 344253528 /nfs/dbraw/zinc/25/35/28/344253528.db2.gz QZCIXPNDMYQGNP-TUAOUCFPSA-N 0 0 172.227 2.161 10 30 AEEERN Cc1c(C#N)ccc(N)c1Cl 164903002 344254311 /nfs/dbraw/zinc/25/43/11/344254311.db2.gz PPYXACUVVOCMHU-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN C=CCOc1nc(Cl)cs1 164922889 344254895 /nfs/dbraw/zinc/25/48/95/344254895.db2.gz QSLATBHCXGIFKO-UHFFFAOYSA-N 0 0 175.640 2.361 10 30 AEEERN C=CCNc1nc(Cl)cs1 165020647 344257042 /nfs/dbraw/zinc/25/70/42/344257042.db2.gz IFNWTEFVQZEPRT-UHFFFAOYSA-N 0 0 174.656 2.394 10 30 AEEERN Fc1cc(F)cc(CC[C@H]2CO2)c1 165046546 344257368 /nfs/dbraw/zinc/25/73/68/344257368.db2.gz DUXHAZSDSHYWSW-JTQLQIEISA-N 0 0 184.185 2.296 10 30 AEEERN C#CCC[C@@H](O)c1occc1C 165067266 344257400 /nfs/dbraw/zinc/25/74/00/344257400.db2.gz GBIOFUNDIRJNOV-SECBINFHSA-N 0 0 164.204 2.035 10 30 AEEERN CNc1ccc2nc(C#N)sc2c1 165057552 344257611 /nfs/dbraw/zinc/25/76/11/344257611.db2.gz NMQHBLUQMOYNHE-UHFFFAOYSA-N 0 0 189.243 2.210 10 30 AEEERN Fc1cc(F)cc(CC[C@@H]2CO2)c1 165046417 344257618 /nfs/dbraw/zinc/25/76/18/344257618.db2.gz DUXHAZSDSHYWSW-SNVBAGLBSA-N 0 0 184.185 2.296 10 30 AEEERN C#CC(=O)c1cc(Cl)ccc1F 165092094 344258065 /nfs/dbraw/zinc/25/80/65/344258065.db2.gz WLKHWJXAGNGBAB-UHFFFAOYSA-N 0 0 182.581 2.295 10 30 AEEERN O=[N+]([O-])c1ccc(CCS)cc1 165154326 344258830 /nfs/dbraw/zinc/25/88/30/344258830.db2.gz KVLMFNMBVCSSQT-UHFFFAOYSA-N 0 0 183.232 2.067 10 30 AEEERN C#C[C@@H](NC)c1cc(Cl)ccc1F 165133044 344259009 /nfs/dbraw/zinc/25/90/09/344259009.db2.gz OWZOMWHCCVHZHN-SNVBAGLBSA-N 0 0 197.640 2.373 10 30 AEEERN C=CCN(c1ccc(C#N)cn1)C1CC1 165346414 344262290 /nfs/dbraw/zinc/26/22/90/344262290.db2.gz DNXFUQWSMHJEEV-UHFFFAOYSA-N 0 0 199.257 2.108 10 30 AEEERN C=CCN(c1cc(C#N)ccn1)C1CC1 165351291 344262604 /nfs/dbraw/zinc/26/26/04/344262604.db2.gz CWCPJVLTTYDMSQ-UHFFFAOYSA-N 0 0 199.257 2.108 10 30 AEEERN N#CCCc1ccc([N+](=O)[O-])cc1F 165364195 344262689 /nfs/dbraw/zinc/26/26/89/344262689.db2.gz XMROPIMZUODESL-UHFFFAOYSA-N 0 0 194.165 2.190 10 30 AEEERN C=CCN(c1ccnc(C#N)c1)C1CC1 165346960 344262768 /nfs/dbraw/zinc/26/27/68/344262768.db2.gz FWLMIFMCEDOASF-UHFFFAOYSA-N 0 0 199.257 2.108 10 30 AEEERN CO/N=C/c1ccc(O)c(Cl)c1 165517846 344265588 /nfs/dbraw/zinc/26/55/88/344265588.db2.gz KQVKTCFEBBSHEL-BJMVGYQFSA-N 0 0 185.610 2.026 10 30 AEEERN CC(C)(C#N)c1cccc(F)n1 165611786 344266794 /nfs/dbraw/zinc/26/67/94/344266794.db2.gz PUZKHMMXXQVYCK-UHFFFAOYSA-N 0 0 164.183 2.022 10 30 AEEERN C=C[C@@H](NN)c1ccc(Cl)cc1 165758300 344268731 /nfs/dbraw/zinc/26/87/31/344268731.db2.gz AQVLZXBTTBULHD-SECBINFHSA-N 0 0 182.654 2.030 10 30 AEEERN N#C[C@]1(CC2CC2)CCCCC1=O 165755943 344268737 /nfs/dbraw/zinc/26/87/37/344268737.db2.gz ZSGNIDZYLVGWMN-LLVKDONJSA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@@]1(CC2CC2)CCCCC1=O 165756077 344268740 /nfs/dbraw/zinc/26/87/40/344268740.db2.gz ZSGNIDZYLVGWMN-NSHDSACASA-N 0 0 177.247 2.440 10 30 AEEERN C=C[C@H](NN)c1ccc(Cl)cc1 165758181 344268999 /nfs/dbraw/zinc/26/89/99/344268999.db2.gz AQVLZXBTTBULHD-VIFPVBQESA-N 0 0 182.654 2.030 10 30 AEEERN C#Cc1cc(O)cc(Cl)c1 167818433 344314939 /nfs/dbraw/zinc/31/49/39/344314939.db2.gz ZTMHIMVWWNBYTF-UHFFFAOYSA-N 0 0 152.580 2.027 10 30 AEEERN CSc1ccccc1NCC#N 165854916 344271480 /nfs/dbraw/zinc/27/14/80/344271480.db2.gz IHCAXOSYCJNUNL-UHFFFAOYSA-N 0 0 178.260 2.344 10 30 AEEERN C=CCS[C@H](CC)C(=O)OCC 165890267 344271933 /nfs/dbraw/zinc/27/19/33/344271933.db2.gz GJLJTNPYHVAMFN-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=CCS[C@@H](CC)C(=O)OCC 165890126 344271992 /nfs/dbraw/zinc/27/19/92/344271992.db2.gz GJLJTNPYHVAMFN-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(Cl)CNc1nccs1 168013710 344319129 /nfs/dbraw/zinc/31/91/29/344319129.db2.gz KINFEPAFWWLXEY-UHFFFAOYSA-N 0 0 174.656 2.308 10 30 AEEERN CC#CCC[C@]1(O)C=CCCC1 165944624 344272889 /nfs/dbraw/zinc/27/28/89/344272889.db2.gz DZBORNFJYMDOIY-NSHDSACASA-N 0 0 164.248 2.261 10 30 AEEERN CC#CCC[C@@]1(O)C=CCCC1 165944504 344272916 /nfs/dbraw/zinc/27/29/16/344272916.db2.gz DZBORNFJYMDOIY-LLVKDONJSA-N 0 0 164.248 2.261 10 30 AEEERN Cc1ccc(C#N)c(N2CC=CCC2)n1 165990359 344273160 /nfs/dbraw/zinc/27/31/60/344273160.db2.gz CAKPUISVFUHISU-UHFFFAOYSA-N 0 0 199.257 2.028 10 30 AEEERN Cc1c(CC#N)ccc([N+](=O)[O-])c1F 166022543 344273778 /nfs/dbraw/zinc/27/37/78/344273778.db2.gz JGWAMRKHUUDTBX-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C#CCOc1ccc(F)cc1C 166104263 344274786 /nfs/dbraw/zinc/27/47/86/344274786.db2.gz DSRNDSTYJBHVOB-UHFFFAOYSA-N 0 0 164.179 2.146 10 30 AEEERN CC(C)CCCn1ccnc1C#N 166120323 344274966 /nfs/dbraw/zinc/27/49/66/344274966.db2.gz DEXAWKOVQZYCCQ-UHFFFAOYSA-N 0 0 177.251 2.191 10 30 AEEERN C=CC(=O)c1ccccc1N(C)C 166168114 344275781 /nfs/dbraw/zinc/27/57/81/344275781.db2.gz KESCHVUBPZTBOA-UHFFFAOYSA-N 0 0 175.231 2.121 10 30 AEEERN C#CCn1ccc2cc(C=O)ccc21 166165656 344275967 /nfs/dbraw/zinc/27/59/67/344275967.db2.gz PDQCXNLZWYOTJU-UHFFFAOYSA-N 0 0 183.210 2.087 10 30 AEEERN CC(C)(C=O)CC1CCOCC1 166271312 344277222 /nfs/dbraw/zinc/27/72/22/344277222.db2.gz DBYWZALBVDIRKM-UHFFFAOYSA-N 0 0 170.252 2.028 10 30 AEEERN CSc1ccc(N)c(CC#N)c1 166396693 344280561 /nfs/dbraw/zinc/28/05/61/344280561.db2.gz ZSTPIQXEDJQAPZ-UHFFFAOYSA-N 0 0 178.260 2.057 10 30 AEEERN C#CCn1ccc2c(OC)cccc21 166403440 344280929 /nfs/dbraw/zinc/28/09/29/344280929.db2.gz UMVURNNLEYKGEI-UHFFFAOYSA-N 0 0 185.226 2.283 10 30 AEEERN C#CC[S@](=O)c1cc(C)cc(C)c1 166416730 344281157 /nfs/dbraw/zinc/28/11/57/344281157.db2.gz KINKLWAZZOZBGV-CYBMUJFWSA-N 0 0 192.283 2.044 10 30 AEEERN Cc1ccc(C)c([N+](=O)[O-])c1C#N 166427573 344281732 /nfs/dbraw/zinc/28/17/32/344281732.db2.gz ZGTIJEWGDSEUMW-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 AEEERN C#C[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 166448184 344281992 /nfs/dbraw/zinc/28/19/92/344281992.db2.gz UOZGONSRWYJCTB-UWVGGRQHSA-N 0 0 189.258 2.065 10 30 AEEERN C#C[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1 166448414 344282074 /nfs/dbraw/zinc/28/20/74/344282074.db2.gz UOZGONSRWYJCTB-VHSXEESVSA-N 0 0 189.258 2.065 10 30 AEEERN CC[C@@]1(C#N)CCCS1 166448581 344282093 /nfs/dbraw/zinc/28/20/93/344282093.db2.gz MVIHHIDGEFKUDU-ZETCQYMHSA-N 0 0 141.239 2.186 10 30 AEEERN C#C[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1 166448546 344282109 /nfs/dbraw/zinc/28/21/09/344282109.db2.gz UOZGONSRWYJCTB-NXEZZACHSA-N 0 0 189.258 2.065 10 30 AEEERN CC[C@]1(C#N)CCCS1 166448467 344282150 /nfs/dbraw/zinc/28/21/50/344282150.db2.gz MVIHHIDGEFKUDU-SSDOTTSWSA-N 0 0 141.239 2.186 10 30 AEEERN C#C[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 166448297 344282217 /nfs/dbraw/zinc/28/22/17/344282217.db2.gz UOZGONSRWYJCTB-ZJUUUORDSA-N 0 0 189.258 2.065 10 30 AEEERN CC#C[C@](C)(O)c1cccc(C)c1 166468960 344282384 /nfs/dbraw/zinc/28/23/84/344282384.db2.gz UTMMOOUBPHLOGP-LBPRGKRZSA-N 0 0 174.243 2.226 10 30 AEEERN CC#C[C@@](C)(O)c1ccc(C)cc1 166468841 344282439 /nfs/dbraw/zinc/28/24/39/344282439.db2.gz WFOFNDLRKHFNRV-GFCCVEGCSA-N 0 0 174.243 2.226 10 30 AEEERN N#C[C@]1(C[C@H]2CCCO2)CCCS1 166468260 344282488 /nfs/dbraw/zinc/28/24/88/344282488.db2.gz DYYLNFDPJHDYCI-NXEZZACHSA-N 0 0 197.303 2.345 10 30 AEEERN N#C[C@@]1(C[C@H]2CCCO2)CCCS1 166468023 344282521 /nfs/dbraw/zinc/28/25/21/344282521.db2.gz DYYLNFDPJHDYCI-ZJUUUORDSA-N 0 0 197.303 2.345 10 30 AEEERN CC#C[C@](C)(O)c1ccc(C)cc1 166468707 344282564 /nfs/dbraw/zinc/28/25/64/344282564.db2.gz WFOFNDLRKHFNRV-LBPRGKRZSA-N 0 0 174.243 2.226 10 30 AEEERN N#C[C@@]1(C[C@@H]2CCCO2)CCCS1 166468146 344282617 /nfs/dbraw/zinc/28/26/17/344282617.db2.gz DYYLNFDPJHDYCI-UWVGGRQHSA-N 0 0 197.303 2.345 10 30 AEEERN CC#C[C@@](C)(O)c1cccc(C)c1 166469071 344282631 /nfs/dbraw/zinc/28/26/31/344282631.db2.gz UTMMOOUBPHLOGP-GFCCVEGCSA-N 0 0 174.243 2.226 10 30 AEEERN N#C[C@]1(C[C@@H]2CCCO2)CCCS1 166468389 344282707 /nfs/dbraw/zinc/28/27/07/344282707.db2.gz DYYLNFDPJHDYCI-VHSXEESVSA-N 0 0 197.303 2.345 10 30 AEEERN N#Cc1ccc(NCC2CC2)cc1C#N 166496322 344283723 /nfs/dbraw/zinc/28/37/23/344283723.db2.gz BSGKYPNMMSTSSE-UHFFFAOYSA-N 0 0 197.241 2.252 10 30 AEEERN C#CCCOc1cc(C)c(N)cc1F 166538424 344284068 /nfs/dbraw/zinc/28/40/68/344284068.db2.gz ZRMAHWOLYUBVDU-UHFFFAOYSA-N 0 0 193.221 2.118 10 30 AEEERN Cc1cc(O[C@H](C)C#N)c(F)cc1N 166569961 344284581 /nfs/dbraw/zinc/28/45/81/344284581.db2.gz KYBJKQJNJXMNQO-SSDOTTSWSA-N 0 0 194.209 2.007 10 30 AEEERN CO/N=C(\C)c1ccccc1C 166591870 344284807 /nfs/dbraw/zinc/28/48/07/344284807.db2.gz CATIDUWGAIDOJZ-PKNBQFBNSA-N 0 0 163.220 2.365 10 30 AEEERN C/C=C(\CC)C(=O)CC 166578167 344285138 /nfs/dbraw/zinc/28/51/38/344285138.db2.gz QTWVAQLUKIBULR-QPJJXVBHSA-N 0 0 126.199 2.322 10 30 AEEERN C=CCCC[C@@H]1C[C@@]1(C)O 166641876 344286271 /nfs/dbraw/zinc/28/62/71/344286271.db2.gz HPIIKEYQZDGRJE-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN CCC/C(=N/N)c1ccccc1 166688735 344287247 /nfs/dbraw/zinc/28/72/47/344287247.db2.gz SXIBNPIWANCSRE-BENRWUELSA-N 0 0 162.236 2.150 10 30 AEEERN C=CCn1ccc2cccc(N)c21 166794973 344289425 /nfs/dbraw/zinc/28/94/25/344289425.db2.gz RYAKBEXFCYAHGW-UHFFFAOYSA-N 0 0 172.231 2.410 10 30 AEEERN C#C[C@@H](C)n1c(C)cc(C=O)c1C 166848011 344290686 /nfs/dbraw/zinc/29/06/86/344290686.db2.gz HJPBJJTUWKPZSI-MRVPVSSYSA-N 0 0 175.231 2.112 10 30 AEEERN C#C[C@H](C)n1c(C)cc(C=O)c1C 166847893 344290924 /nfs/dbraw/zinc/29/09/24/344290924.db2.gz HJPBJJTUWKPZSI-QMMMGPOBSA-N 0 0 175.231 2.112 10 30 AEEERN C#C[C@H](C)Nc1ccc(Cl)cn1 166895151 344292107 /nfs/dbraw/zinc/29/21/07/344292107.db2.gz LTNBTWVXYQIRRB-ZETCQYMHSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@@H](C)Nc1ccc(Cl)cn1 166895258 344292274 /nfs/dbraw/zinc/29/22/74/344292274.db2.gz LTNBTWVXYQIRRB-SSDOTTSWSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@H](C)Nc1ncccc1Cl 166913334 344292493 /nfs/dbraw/zinc/29/24/93/344292493.db2.gz WKNBBGKOPVPDNV-ZETCQYMHSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@@H](C)Nc1ncccc1Cl 166913434 344292632 /nfs/dbraw/zinc/29/26/32/344292632.db2.gz WKNBBGKOPVPDNV-SSDOTTSWSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@@H](C)Nc1nc(C)c(C)s1 166899174 344292659 /nfs/dbraw/zinc/29/26/59/344292659.db2.gz RJYDQJOBQFYFKW-ZCFIWIBFSA-N 0 0 180.276 2.194 10 30 AEEERN C#C[C@@H](C)Nc1ccncc1Cl 166916176 344292694 /nfs/dbraw/zinc/29/26/94/344292694.db2.gz HAXBKMSVWXXPKT-SSDOTTSWSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@H](C)Nc1nc(C)c(C)s1 166899060 344292714 /nfs/dbraw/zinc/29/27/14/344292714.db2.gz RJYDQJOBQFYFKW-LURJTMIESA-N 0 0 180.276 2.194 10 30 AEEERN C#C[C@H](C)Nc1ccncc1Cl 166916060 344292740 /nfs/dbraw/zinc/29/27/40/344292740.db2.gz HAXBKMSVWXXPKT-ZETCQYMHSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@H](O)c1cccc(Cl)c1F 166931606 344293069 /nfs/dbraw/zinc/29/30/69/344293069.db2.gz WXGRDKVWQJAZAY-QMMMGPOBSA-N 0 0 184.597 2.146 10 30 AEEERN C#C[C@@H](O)c1cccc(Cl)c1F 166931713 344293330 /nfs/dbraw/zinc/29/33/30/344293330.db2.gz WXGRDKVWQJAZAY-MRVPVSSYSA-N 0 0 184.597 2.146 10 30 AEEERN C=CC(=O)c1cc(C)cs1 166958156 344293595 /nfs/dbraw/zinc/29/35/95/344293595.db2.gz UAARIHXWLJJONY-UHFFFAOYSA-N 0 0 152.218 2.425 10 30 AEEERN C=C1CC(C)(C)CCC1=O 166950088 344293617 /nfs/dbraw/zinc/29/36/17/344293617.db2.gz QWRKJGZSKUIQDA-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C#C[C@H](C)n1c(C)ccc1C 166978166 344294078 /nfs/dbraw/zinc/29/40/78/344294078.db2.gz KPOSBOHUOCOOHU-QMMMGPOBSA-N 0 0 147.221 2.299 10 30 AEEERN C#Cc1cccc(NC[C@@H](C)OC)c1 166971903 344294105 /nfs/dbraw/zinc/29/41/05/344294105.db2.gz VIRKMHIZKZBERR-SNVBAGLBSA-N 0 0 189.258 2.115 10 30 AEEERN C#C[C@@H](C)n1c(C)ccc1C 166978276 344294121 /nfs/dbraw/zinc/29/41/21/344294121.db2.gz KPOSBOHUOCOOHU-MRVPVSSYSA-N 0 0 147.221 2.299 10 30 AEEERN C#Cc1cccc(NC[C@H](C)OC)c1 166971784 344294168 /nfs/dbraw/zinc/29/41/68/344294168.db2.gz VIRKMHIZKZBERR-JTQLQIEISA-N 0 0 189.258 2.115 10 30 AEEERN CO[C@H](C)CNc1ccccc1C#N 166988207 344294346 /nfs/dbraw/zinc/29/43/46/344294346.db2.gz CPAGZGBDCSRSII-SECBINFHSA-N 0 0 190.246 2.005 10 30 AEEERN CO[C@@H](C)CNc1cccc(C#N)c1 166988311 344294351 /nfs/dbraw/zinc/29/43/51/344294351.db2.gz LBGLQSPRAVXXDE-VIFPVBQESA-N 0 0 190.246 2.005 10 30 AEEERN CO[C@@H](C)CNc1ccccc1C#N 166988101 344294412 /nfs/dbraw/zinc/29/44/12/344294412.db2.gz CPAGZGBDCSRSII-VIFPVBQESA-N 0 0 190.246 2.005 10 30 AEEERN CO[C@H](C)CNc1cccc(C#N)c1 166988421 344294464 /nfs/dbraw/zinc/29/44/64/344294464.db2.gz LBGLQSPRAVXXDE-SECBINFHSA-N 0 0 190.246 2.005 10 30 AEEERN C=CCC(CF)CF 167000196 344294939 /nfs/dbraw/zinc/29/49/39/344294939.db2.gz WIRVUXPYDPKMIF-UHFFFAOYSA-N 0 0 120.142 2.118 10 30 AEEERN C[C@H]1C[C@H]1CNc1ccc(C#N)nc1 167038075 344295903 /nfs/dbraw/zinc/29/59/03/344295903.db2.gz NWRPUEVGDBQCLB-IUCAKERBSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@@H]1C[C@H]1CNc1ccc(C#N)nc1 167037972 344295931 /nfs/dbraw/zinc/29/59/31/344295931.db2.gz NWRPUEVGDBQCLB-BDAKNGLRSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@@H]1C[C@@H]1CNc1ccc(C#N)nc1 167037779 344296060 /nfs/dbraw/zinc/29/60/60/344296060.db2.gz NWRPUEVGDBQCLB-RKDXNWHRSA-N 0 0 187.246 2.021 10 30 AEEERN CC1(C)COc2ccc(CC=O)cc21 167060320 344296531 /nfs/dbraw/zinc/29/65/31/344296531.db2.gz XYBYTEUSICMDHE-UHFFFAOYSA-N 0 0 190.242 2.098 10 30 AEEERN C#C[C@H](C)n1ccc2c1CCCC2=O 167071789 344296720 /nfs/dbraw/zinc/29/67/20/344296720.db2.gz GKTWBXGZVOWWHY-VIFPVBQESA-N 0 0 187.242 2.201 10 30 AEEERN C#C[C@@H](C)n1ccc2c1CCCC2=O 167071893 344296750 /nfs/dbraw/zinc/29/67/50/344296750.db2.gz GKTWBXGZVOWWHY-SECBINFHSA-N 0 0 187.242 2.201 10 30 AEEERN C=CCn1cc2ccccc2n1 167095701 344297516 /nfs/dbraw/zinc/29/75/16/344297516.db2.gz BSVASBJAQXNZGO-UHFFFAOYSA-N 0 0 158.204 2.222 10 30 AEEERN C=CC[C@@]1(C)CC[C@H](O)C1 167152182 344298687 /nfs/dbraw/zinc/29/86/87/344298687.db2.gz FGEWCYZQYXXDHM-IUCAKERBSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@@]1(C)CC[C@@H](O)C1 167152388 344298791 /nfs/dbraw/zinc/29/87/91/344298791.db2.gz FGEWCYZQYXXDHM-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@]1(C)CC[C@H](O)C1 167152286 344298862 /nfs/dbraw/zinc/29/88/62/344298862.db2.gz FGEWCYZQYXXDHM-DTWKUNHWSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@]1(C)CC[C@@H](O)C1 167152484 344298907 /nfs/dbraw/zinc/29/89/07/344298907.db2.gz FGEWCYZQYXXDHM-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN Cc1cc(C#N)c(C)cc1F 167172682 344299317 /nfs/dbraw/zinc/29/93/17/344299317.db2.gz UUHVIQZMMNEZQH-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN OCC#Cc1ccccc1C1CCC1 167194682 344299630 /nfs/dbraw/zinc/29/96/30/344299630.db2.gz IKGVNBVBHLHQDF-UHFFFAOYSA-N 0 0 186.254 2.298 10 30 AEEERN c1ccc2c([C@H]3CO3)ccnc2c1 167227222 344300798 /nfs/dbraw/zinc/30/07/98/344300798.db2.gz KXFFIFVDZJVCLW-LLVKDONJSA-N 0 0 171.199 2.306 10 30 AEEERN c1ccc2c([C@@H]3CO3)ccnc2c1 167227141 344300810 /nfs/dbraw/zinc/30/08/10/344300810.db2.gz KXFFIFVDZJVCLW-NSHDSACASA-N 0 0 171.199 2.306 10 30 AEEERN C=CC(=O)C1(C)CCCC1 167345485 344303174 /nfs/dbraw/zinc/30/31/74/344303174.db2.gz UVFRIPWDHNDUQO-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CC(=O)c1ccc2c(c1)COC2 167345834 344302760 /nfs/dbraw/zinc/30/27/60/344302760.db2.gz CRDUGEKZUPGWRB-UHFFFAOYSA-N 0 0 174.199 2.086 10 30 AEEERN C=CC(=O)c1sccc1OC 167346140 344303020 /nfs/dbraw/zinc/30/30/20/344303020.db2.gz ACUCRLIZWCGKIJ-UHFFFAOYSA-N 0 0 168.217 2.125 10 30 AEEERN C/N=C(\C)c1cccc(OC)c1 167357016 344303422 /nfs/dbraw/zinc/30/34/22/344303422.db2.gz IVHWLMCMIRTABS-DHZHZOJOSA-N 0 0 163.220 2.134 10 30 AEEERN C=CC(=O)c1c(F)cc(F)cc1F 167350664 344303486 /nfs/dbraw/zinc/30/34/86/344303486.db2.gz FAXLLQIVRPOVCB-UHFFFAOYSA-N 0 0 186.132 2.473 10 30 AEEERN C=CC(=O)c1ccc(C)c(OC)c1 167372595 344303903 /nfs/dbraw/zinc/30/39/03/344303903.db2.gz NBXZVFBYSHFIPP-UHFFFAOYSA-N 0 0 176.215 2.372 10 30 AEEERN C=CC(=O)c1ccc(F)c(OC)c1 167375350 344304033 /nfs/dbraw/zinc/30/40/33/344304033.db2.gz YUPWEZWZDIQKDP-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN C=CC(=O)c1cc(C)oc1C 167371563 344304035 /nfs/dbraw/zinc/30/40/35/344304035.db2.gz UCGIZDGAMNGYNS-UHFFFAOYSA-N 0 0 150.177 2.265 10 30 AEEERN C[C@@H]1CC[C@@](N)(C#N)c2ccccc21 167422036 344304809 /nfs/dbraw/zinc/30/48/09/344304809.db2.gz HEUJOVPRIPWRIC-BXKDBHETSA-N 0 0 186.258 2.261 10 30 AEEERN C=C(C)CNc1cc(N)cc(OC)c1 167425504 344304831 /nfs/dbraw/zinc/30/48/31/344304831.db2.gz LRYKLOUYTXUDGN-UHFFFAOYSA-N 0 0 192.262 2.265 10 30 AEEERN C[C@H]1CC[C@@](N)(C#N)c2ccccc21 167422131 344304865 /nfs/dbraw/zinc/30/48/65/344304865.db2.gz HEUJOVPRIPWRIC-JOYOIKCWSA-N 0 0 186.258 2.261 10 30 AEEERN C[C@@H]1CC[C@](N)(C#N)c2ccccc21 167421835 344304869 /nfs/dbraw/zinc/30/48/69/344304869.db2.gz HEUJOVPRIPWRIC-SKDRFNHKSA-N 0 0 186.258 2.261 10 30 AEEERN C[C@H]1CC[C@](N)(C#N)c2ccccc21 167421942 344304925 /nfs/dbraw/zinc/30/49/25/344304925.db2.gz HEUJOVPRIPWRIC-CABZTGNLSA-N 0 0 186.258 2.261 10 30 AEEERN O=C(C1=CCCCO1)C1CCC1 167510615 344306643 /nfs/dbraw/zinc/30/66/43/344306643.db2.gz OXAYPATXCJYHEY-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CCCC(=O)C1=CCCCO1 167503372 344306713 /nfs/dbraw/zinc/30/67/13/344306713.db2.gz CGMUODGJFJKSFP-UHFFFAOYSA-N 0 0 154.209 2.050 10 30 AEEERN O=C(C1=CCCCO1)C1CCCC1 167504009 344306862 /nfs/dbraw/zinc/30/68/62/344306862.db2.gz GLRUTAZNDFKCLH-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN O=C(C1=CCCCO1)c1ccoc1 167509216 344306898 /nfs/dbraw/zinc/30/68/98/344306898.db2.gz LCSXFFRTJCWSJV-UHFFFAOYSA-N 0 0 178.187 2.157 10 30 AEEERN O=C(C1=CCCCO1)c1ccco1 167507056 344306938 /nfs/dbraw/zinc/30/69/38/344306938.db2.gz XOHHANVWWLONMO-UHFFFAOYSA-N 0 0 178.187 2.157 10 30 AEEERN CC[C@H](C)C(=O)C1=CCCCO1 167508737 344306995 /nfs/dbraw/zinc/30/69/95/344306995.db2.gz AQCGTYQTCLHXLU-QMMMGPOBSA-N 0 0 168.236 2.296 10 30 AEEERN CC[C@@H](C)C(=O)C1=CCCCO1 167508630 344307025 /nfs/dbraw/zinc/30/70/25/344307025.db2.gz AQCGTYQTCLHXLU-MRVPVSSYSA-N 0 0 168.236 2.296 10 30 AEEERN O=C(C1=CCCCO1)[C@H]1CCCS1 167521348 344307146 /nfs/dbraw/zinc/30/71/46/344307146.db2.gz AQGMZWDDRDGOEE-SECBINFHSA-N 0 0 198.287 2.145 10 30 AEEERN O=C(C1=CCCCO1)c1cscn1 167520890 344307202 /nfs/dbraw/zinc/30/72/02/344307202.db2.gz HZMKCVYNTCAMAT-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN O=C(C1=CCCCO1)[C@@H]1CCCS1 167521243 344307204 /nfs/dbraw/zinc/30/72/04/344307204.db2.gz AQGMZWDDRDGOEE-VIFPVBQESA-N 0 0 198.287 2.145 10 30 AEEERN CC1(C(=O)C2=CCCCO2)CC1 167520530 344307217 /nfs/dbraw/zinc/30/72/17/344307217.db2.gz DZZVPNAFGFESRP-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN O=C(C1=CCCCO1)C(F)(F)Cl 167526627 344307311 /nfs/dbraw/zinc/30/73/11/344307311.db2.gz CPTFTKRABUOZRJ-UHFFFAOYSA-N 0 0 196.580 2.081 10 30 AEEERN O=C(C1=CCCCO1)c1cncs1 167520641 344307377 /nfs/dbraw/zinc/30/73/77/344307377.db2.gz CGQBMKRLCDFYMO-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN O=C(CC1CC1)C1=CCCCO1 167520765 344307440 /nfs/dbraw/zinc/30/74/40/344307440.db2.gz XENIUTUHWAFDPD-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN C=C(C)CNc1cnc(C)c(C)n1 167617020 344309784 /nfs/dbraw/zinc/30/97/84/344309784.db2.gz NLKUZWFSTCXXBN-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C=C(C)CNc1ccnc(OC)c1 167636322 344310230 /nfs/dbraw/zinc/31/02/30/344310230.db2.gz SZOKDLGDCQUKNY-UHFFFAOYSA-N 0 0 178.235 2.078 10 30 AEEERN CO[C@@H](C)C[C@]1(C#N)CCCCC1=O 167658270 344310475 /nfs/dbraw/zinc/31/04/75/344310475.db2.gz DRJYRHWFNMVFBX-ONGXEEELSA-N 0 0 195.262 2.064 10 30 AEEERN CO[C@H](C)CC1(C#N)CCCC1 167655682 344310482 /nfs/dbraw/zinc/31/04/82/344310482.db2.gz PGVMRDJPGWYHJJ-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H](C)C[C@@]1(C#N)CCCCC1=O 167658589 344310619 /nfs/dbraw/zinc/31/06/19/344310619.db2.gz DRJYRHWFNMVFBX-MWLCHTKSSA-N 0 0 195.262 2.064 10 30 AEEERN CO[C@H](C)C[C@@]1(C#N)CCCS1 167664607 344310625 /nfs/dbraw/zinc/31/06/25/344310625.db2.gz ZFVAZXLCZPKNFS-RKDXNWHRSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@@H](C)CC1(C#N)CCCC1 167655564 344310643 /nfs/dbraw/zinc/31/06/43/344310643.db2.gz PGVMRDJPGWYHJJ-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@H](C)C[C@]1(C#N)CCCS1 167664395 344310663 /nfs/dbraw/zinc/31/06/63/344310663.db2.gz ZFVAZXLCZPKNFS-BDAKNGLRSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@H](C)C[C@]1(C#N)CCCCC1=O 167658377 344310672 /nfs/dbraw/zinc/31/06/72/344310672.db2.gz DRJYRHWFNMVFBX-KOLCDFICSA-N 0 0 195.262 2.064 10 30 AEEERN CO[C@@H](C)C[C@]1(C#N)CCCS1 167664267 344310677 /nfs/dbraw/zinc/31/06/77/344310677.db2.gz ZFVAZXLCZPKNFS-IUCAKERBSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@@H](C)C[C@@]1(C#N)CCCCC1=O 167658488 344310685 /nfs/dbraw/zinc/31/06/85/344310685.db2.gz DRJYRHWFNMVFBX-GXSJLCMTSA-N 0 0 195.262 2.064 10 30 AEEERN CO[C@@H](C)C[C@@]1(C#N)CCCS1 167664512 344310725 /nfs/dbraw/zinc/31/07/25/344310725.db2.gz ZFVAZXLCZPKNFS-DTWKUNHWSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@H](C)CC1(C#N)CCC1 167656339 344310730 /nfs/dbraw/zinc/31/07/30/344310730.db2.gz LZMCIRCUSGZEPH-MRVPVSSYSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@@H](C)CC1(C#N)CCC1 167656229 344310738 /nfs/dbraw/zinc/31/07/38/344310738.db2.gz LZMCIRCUSGZEPH-QMMMGPOBSA-N 0 0 153.225 2.105 10 30 AEEERN CO/N=C/c1cc(Cl)ccc1O 167689974 344311445 /nfs/dbraw/zinc/31/14/45/344311445.db2.gz MYQYRZPTVVLZHQ-BJMVGYQFSA-N 0 0 185.610 2.026 10 30 AEEERN C=C=CC(=O)c1ccc(CC)o1 167696786 344311555 /nfs/dbraw/zinc/31/15/55/344311555.db2.gz WAXMVYCGMBAFOD-UHFFFAOYSA-N 0 0 162.188 2.048 10 30 AEEERN C=C=CC(=O)c1sccc1C 167692005 344311641 /nfs/dbraw/zinc/31/16/41/344311641.db2.gz BDSSFRAPLPSCLR-UHFFFAOYSA-N 0 0 164.229 2.263 10 30 AEEERN C#CCC(=O)CC1CCCC1 167699302 344312073 /nfs/dbraw/zinc/31/20/73/344312073.db2.gz KHZLYFVMXJPLDU-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C#CCC(=O)c1ccc2c(c1)CCC2 167700689 344312111 /nfs/dbraw/zinc/31/21/11/344312111.db2.gz NNXPNPSATGHHDO-UHFFFAOYSA-N 0 0 184.238 2.381 10 30 AEEERN C#CCC(=O)C1C(C)(C)C1(C)C 167698028 344312142 /nfs/dbraw/zinc/31/21/42/344312142.db2.gz BSACMSRYMBEHFJ-UHFFFAOYSA-N 0 0 164.248 2.261 10 30 AEEERN C=C=CC(=O)c1cccc(F)c1F 167700445 344312145 /nfs/dbraw/zinc/31/21/45/344312145.db2.gz RMFGNHNRIDIJOC-UHFFFAOYSA-N 0 0 180.153 2.171 10 30 AEEERN C#CCC(=O)Cc1c(F)cccc1F 167704726 344312156 /nfs/dbraw/zinc/31/21/56/344312156.db2.gz GMJYLBOIUXSBIJ-UHFFFAOYSA-N 0 0 194.180 2.100 10 30 AEEERN C#CCC(=O)c1ccc(C)cc1F 167707746 344312197 /nfs/dbraw/zinc/31/21/97/344312197.db2.gz KHTUNMVZQSWZMO-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C#CCC(=O)c1ccc(F)c(OC)c1 167714117 344312328 /nfs/dbraw/zinc/31/23/28/344312328.db2.gz PSDBROMILUAUHK-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C#CCC(=O)C(C)(C)CC 167712316 344312458 /nfs/dbraw/zinc/31/24/58/344312458.db2.gz ZDTKIPLZDCHGTH-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN C#CCC(=O)c1cc(C)oc1C 167711741 344312562 /nfs/dbraw/zinc/31/25/62/344312562.db2.gz JBTKKUTUSQJHTD-UHFFFAOYSA-N 0 0 162.188 2.102 10 30 AEEERN C#CCC(=O)c1ccc(C)c(OC)c1 167712208 344312665 /nfs/dbraw/zinc/31/26/65/344312665.db2.gz CFMRNHDJGBPOIE-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN C#CCC(=O)c1cc(C)ccc1F 167711615 344312605 /nfs/dbraw/zinc/31/26/05/344312605.db2.gz PMXJYOOCFPGGNZ-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C#CCC(=O)c1cccc(C)c1F 167715993 344312636 /nfs/dbraw/zinc/31/26/36/344312636.db2.gz YFGHJZCQYCYJRM-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C=C=CC(=O)c1cc2c(s1)CCC2 167711388 344312648 /nfs/dbraw/zinc/31/26/48/344312648.db2.gz OFIAOJBQBOFHSM-UHFFFAOYSA-N 0 0 190.267 2.443 10 30 AEEERN C#CCC(=O)c1c(C)oc(C)c1C 167709606 344312670 /nfs/dbraw/zinc/31/26/70/344312670.db2.gz FHNRHSUJIJKVNF-UHFFFAOYSA-N 0 0 176.215 2.411 10 30 AEEERN O=C(C1=CCCCO1)[C@H]1CCSC1 167736235 344312892 /nfs/dbraw/zinc/31/28/92/344312892.db2.gz FFXAIHTTXJWGDP-QMMMGPOBSA-N 0 0 198.287 2.003 10 30 AEEERN O=C(C1=CCCCO1)[C@@H]1CCSC1 167736127 344312955 /nfs/dbraw/zinc/31/29/55/344312955.db2.gz FFXAIHTTXJWGDP-MRVPVSSYSA-N 0 0 198.287 2.003 10 30 AEEERN O=CCC/C=C/c1ccco1 167767018 344313987 /nfs/dbraw/zinc/31/39/87/344313987.db2.gz PPKVNGNQWIYTEH-GORDUTHDSA-N 0 0 150.177 2.272 10 30 AEEERN CC#CCC(=O)[C@H](C)C(C)C 167878954 344315847 /nfs/dbraw/zinc/31/58/47/344315847.db2.gz LCEMXVWYLKBXKF-SECBINFHSA-N 0 0 152.237 2.261 10 30 AEEERN CC=C=CC(=O)c1cc(C)oc1C 167891659 344316036 /nfs/dbraw/zinc/31/60/36/344316036.db2.gz IELXLBRBJCWRTB-UHFFFAOYSA-N 0 0 176.215 2.493 10 30 AEEERN CC#CCC(=O)[C@@H](C)C(C)C 167878850 344316084 /nfs/dbraw/zinc/31/60/84/344316084.db2.gz LCEMXVWYLKBXKF-VIFPVBQESA-N 0 0 152.237 2.261 10 30 AEEERN CC#CCC(=O)[C@@H](C)C1CC1 167887245 344316089 /nfs/dbraw/zinc/31/60/89/344316089.db2.gz JHUWBNZYHNXBDJ-QMMMGPOBSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@H](C)C1CC1 167887331 344316101 /nfs/dbraw/zinc/31/61/01/344316101.db2.gz JHUWBNZYHNXBDJ-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN CC=C=CC(=O)c1coc(C)c1 167882272 344316266 /nfs/dbraw/zinc/31/62/66/344316266.db2.gz HDYZSCDHDDZIFD-UHFFFAOYSA-N 0 0 162.188 2.184 10 30 AEEERN CC=C=CC(=O)c1cc(OC)cs1 167895826 344316461 /nfs/dbraw/zinc/31/64/61/344316461.db2.gz UCFUZDVYPTYWLA-UHFFFAOYSA-N 0 0 194.255 2.353 10 30 AEEERN CC(C)c1cn2ccc(C#N)cc2n1 167945823 344317452 /nfs/dbraw/zinc/31/74/52/344317452.db2.gz NMCINBPHUFMSMK-UHFFFAOYSA-N 0 0 185.230 2.329 10 30 AEEERN CC#CCNc1ncc(Cl)cc1F 167994309 344317910 /nfs/dbraw/zinc/31/79/10/344317910.db2.gz HEVUKIYLMDYVQY-UHFFFAOYSA-N 0 0 198.628 2.309 10 30 AEEERN CC#CCNc1ccc(Cl)cn1 167992356 344317990 /nfs/dbraw/zinc/31/79/90/344317990.db2.gz SJISYVRIYVDWTM-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN CC#CCNc1ccncc1Cl 167991420 344318238 /nfs/dbraw/zinc/31/82/38/344318238.db2.gz BOTCBHHYUIVUJP-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C=C(C)CCS[C@@H](C)CO 168002903 344318413 /nfs/dbraw/zinc/31/84/13/344318413.db2.gz HJOQMHPZUDVBAR-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN C=C(C)CCS[C@@H](C)CCO 168002476 344318422 /nfs/dbraw/zinc/31/84/22/344318422.db2.gz FEMSKPICEKTTJQ-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=C(C)CCS[C@H](C)CCO 168002586 344318505 /nfs/dbraw/zinc/31/85/05/344318505.db2.gz FEMSKPICEKTTJQ-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN CC#CCNc1ncccc1Cl 168006311 344318513 /nfs/dbraw/zinc/31/85/13/344318513.db2.gz YETBTDWSQXBDJG-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C=C(C)CCSC[C@@H](C)CO 168002696 344318519 /nfs/dbraw/zinc/31/85/19/344318519.db2.gz QEGHZMVEDIPOHQ-VIFPVBQESA-N 0 0 174.309 2.314 10 30 AEEERN C=C(C)CCSC[C@H](C)CO 168002794 344318552 /nfs/dbraw/zinc/31/85/52/344318552.db2.gz QEGHZMVEDIPOHQ-SECBINFHSA-N 0 0 174.309 2.314 10 30 AEEERN CC#CCNc1nc(C)c(C)s1 167996798 344318704 /nfs/dbraw/zinc/31/87/04/344318704.db2.gz BSVDATAENAITKJ-UHFFFAOYSA-N 0 0 180.276 2.195 10 30 AEEERN C=C(C)CCS[C@H](C)CO 168003001 344318718 /nfs/dbraw/zinc/31/87/18/344318718.db2.gz HJOQMHPZUDVBAR-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN C=C(Cl)CNc1cc[nH+]cc1 168021927 344318906 /nfs/dbraw/zinc/31/89/06/344318906.db2.gz COQJLSXMRNNRIT-UHFFFAOYSA-N 0 0 168.627 2.246 10 30 AEEERN C=C(Cl)CNc1ccnc(OC)c1 168012659 344318920 /nfs/dbraw/zinc/31/89/20/344318920.db2.gz JHMFRLXCCAVEDN-UHFFFAOYSA-N 0 0 198.653 2.255 10 30 AEEERN C#CCC(=O)c1ccc(Cl)c(N)c1 168013666 344319118 /nfs/dbraw/zinc/31/91/18/344319118.db2.gz BVAQQEVNMAYPSA-UHFFFAOYSA-N 0 0 193.633 2.128 10 30 AEEERN O=C(C1=CCCO1)c1cccs1 168080843 344320228 /nfs/dbraw/zinc/32/02/28/344320228.db2.gz IIKRBZREGXZTMY-UHFFFAOYSA-N 0 0 180.228 2.235 10 30 AEEERN O=C(C1=CCCO1)C1CCCCC1 168083450 344320333 /nfs/dbraw/zinc/32/03/33/344320333.db2.gz DTMYXCFUHUKUEE-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN O=C(C1=CCCO1)C1CCCC1 168084262 344320362 /nfs/dbraw/zinc/32/03/62/344320362.db2.gz YLBUOAZQKWLSRU-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN O=C(C1=CCCO1)c1ccc(F)cc1 168080605 344320367 /nfs/dbraw/zinc/32/03/67/344320367.db2.gz OPVUMBINOJHVPF-UHFFFAOYSA-N 0 0 192.189 2.313 10 30 AEEERN O=C(C1=CCCO1)c1ccsc1 168081895 344320375 /nfs/dbraw/zinc/32/03/75/344320375.db2.gz OWOJTUPZVSHMQA-UHFFFAOYSA-N 0 0 180.228 2.235 10 30 AEEERN O=C(C1=CCCO1)c1cccc(F)c1 168080721 344320494 /nfs/dbraw/zinc/32/04/94/344320494.db2.gz CETAECLFVRWSIG-UHFFFAOYSA-N 0 0 192.189 2.313 10 30 AEEERN O=C(C1=CCCO1)[C@@H]1CCCCS1 168106151 344320632 /nfs/dbraw/zinc/32/06/32/344320632.db2.gz YBRGDRBQEYBEKR-VIFPVBQESA-N 0 0 198.287 2.145 10 30 AEEERN O=C(C1=CCCO1)[C@H]1CCCCS1 168106259 344320651 /nfs/dbraw/zinc/32/06/51/344320651.db2.gz YBRGDRBQEYBEKR-SECBINFHSA-N 0 0 198.287 2.145 10 30 AEEERN C[C@H]1CC[C@@H](C(=O)C2=CCCO2)C1 168096326 344320824 /nfs/dbraw/zinc/32/08/24/344320824.db2.gz AEOGQKVLBFZRFH-DTWKUNHWSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1CC[C@H](C(=O)C2=CCCO2)C1 168096035 344320849 /nfs/dbraw/zinc/32/08/49/344320849.db2.gz AEOGQKVLBFZRFH-BDAKNGLRSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1CC[C@@H](C(=O)C2=CCCO2)C1 168096236 344320884 /nfs/dbraw/zinc/32/08/84/344320884.db2.gz AEOGQKVLBFZRFH-RKDXNWHRSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1CC[C@H](C(=O)C2=CCCO2)C1 168096138 344320959 /nfs/dbraw/zinc/32/09/59/344320959.db2.gz AEOGQKVLBFZRFH-IUCAKERBSA-N 0 0 180.247 2.296 10 30 AEEERN Cc1ccoc1C(=O)C1=CCCO1 168113332 344321078 /nfs/dbraw/zinc/32/10/78/344321078.db2.gz DXBYGAQUTMJPNR-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C[C@H]1COc2ccccc2[C@H]1C#N 168109110 344321115 /nfs/dbraw/zinc/32/11/15/344321115.db2.gz ZDYHTPATEZOUQD-WPRPVWTQSA-N 0 0 173.215 2.322 10 30 AEEERN Cc1occc1C(=O)C1=CCCO1 168113214 344321193 /nfs/dbraw/zinc/32/11/93/344321193.db2.gz QGZOOZPMVNYJOR-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C[C@@H]1COc2ccccc2[C@@H]1C#N 168108824 344321267 /nfs/dbraw/zinc/32/12/67/344321267.db2.gz ZDYHTPATEZOUQD-PSASIEDQSA-N 0 0 173.215 2.322 10 30 AEEERN C[C@H]1COc2ccccc2[C@@H]1C#N 168108929 344321299 /nfs/dbraw/zinc/32/12/99/344321299.db2.gz ZDYHTPATEZOUQD-WCBMZHEXSA-N 0 0 173.215 2.322 10 30 AEEERN C=C(Cl)CNc1ccc(N)cc1 168168612 344322666 /nfs/dbraw/zinc/32/26/66/344322666.db2.gz MAMRXOBFCMIZMG-UHFFFAOYSA-N 0 0 182.654 2.433 10 30 AEEERN [N-]=[N+]=Nc1ncc(Cl)cn1 168161371 344322779 /nfs/dbraw/zinc/32/27/79/344322779.db2.gz KGYUIWNILDYLLX-UHFFFAOYSA-N 0 0 155.548 2.072 10 30 AEEERN C=C(Cl)CNc1cccc(N)c1 168170994 344323267 /nfs/dbraw/zinc/32/32/67/344323267.db2.gz ANHPJZUSXADSKB-UHFFFAOYSA-N 0 0 182.654 2.433 10 30 AEEERN C#CCCC(=O)c1ccc(N)c(C)c1 168193804 344323999 /nfs/dbraw/zinc/32/39/99/344323999.db2.gz HWEICZMUMQNSNW-UHFFFAOYSA-N 0 0 187.242 2.173 10 30 AEEERN C=CC(=O)c1ccc2c(c1)CCN2 168196284 344324172 /nfs/dbraw/zinc/32/41/72/344324172.db2.gz ZPRKBQDVRQQPTC-UHFFFAOYSA-N 0 0 173.215 2.023 10 30 AEEERN C=CCNc1ccc(C(C)=O)c(N)c1 168198061 344324527 /nfs/dbraw/zinc/32/45/27/344324527.db2.gz QDGODKDNWLJJIP-UHFFFAOYSA-N 0 0 190.246 2.069 10 30 AEEERN N#CCSc1ccc(C=O)cc1 168236708 344325953 /nfs/dbraw/zinc/32/59/53/344325953.db2.gz JGNMTUPFYXZQIS-UHFFFAOYSA-N 0 0 177.228 2.115 10 30 AEEERN C#CCSc1ccc(C=O)cc1 168245615 344326320 /nfs/dbraw/zinc/32/63/20/344326320.db2.gz DKAXURGXPSCSOO-UHFFFAOYSA-N 0 0 176.240 2.224 10 30 AEEERN C=C(C)[C@@](C)(O)c1ccc(O)cc1 168274337 344326846 /nfs/dbraw/zinc/32/68/46/344326846.db2.gz OZBKUCJOBXAAKP-LLVKDONJSA-N 0 0 178.231 2.176 10 30 AEEERN C=C(C)[C@](C)(O)c1ccc(O)cc1 168274239 344326955 /nfs/dbraw/zinc/32/69/55/344326955.db2.gz OZBKUCJOBXAAKP-NSHDSACASA-N 0 0 178.231 2.176 10 30 AEEERN CN[C@@H](C#N)c1cc(F)cc(Cl)c1 168286301 344327535 /nfs/dbraw/zinc/32/75/35/344327535.db2.gz FQWJIQFXVVQWBI-VIFPVBQESA-N 0 0 198.628 2.263 10 30 AEEERN N#Cc1ccc(NCCF)c(F)c1 168311229 344328104 /nfs/dbraw/zinc/32/81/04/344328104.db2.gz LPPRBRMVYSXFLI-UHFFFAOYSA-N 0 0 182.173 2.079 10 30 AEEERN C=C[C@@H](O)c1cccc(Cl)c1O 168356295 344328762 /nfs/dbraw/zinc/32/87/62/344328762.db2.gz HOGMXFIXGFAILC-MRVPVSSYSA-N 0 0 184.622 2.265 10 30 AEEERN Cc1cc(C(=O)C2=CCCO2)co1 168353039 344328779 /nfs/dbraw/zinc/32/87/79/344328779.db2.gz AAYZKIRYAUJJGC-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN N#CC[C@@H](O)c1cc(F)cc(Cl)c1 168351074 344328800 /nfs/dbraw/zinc/32/88/00/344328800.db2.gz BRPYJZXQNWSDAN-SECBINFHSA-N 0 0 199.612 2.426 10 30 AEEERN N#CC[C@H](O)c1cc(F)cc(Cl)c1 168351164 344329061 /nfs/dbraw/zinc/32/90/61/344329061.db2.gz BRPYJZXQNWSDAN-VIFPVBQESA-N 0 0 199.612 2.426 10 30 AEEERN Cc1ccc(C(=O)C2=CCCO2)o1 168356813 344329098 /nfs/dbraw/zinc/32/90/98/344329098.db2.gz LQHHRLLUEFIVAY-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C[C@@]1(C(=O)C2=CCCO2)CCCS1 168359538 344329391 /nfs/dbraw/zinc/32/93/91/344329391.db2.gz IVGAQLNTYXRYPM-JTQLQIEISA-N 0 0 198.287 2.145 10 30 AEEERN CC1(C(=O)C2=CCCO2)CCCC1 168367182 344329426 /nfs/dbraw/zinc/32/94/26/344329426.db2.gz XZRBQPXNVTUIDJ-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN C=C[C@H](C)N1CCc2cccc(N)c21 168394602 344329684 /nfs/dbraw/zinc/32/96/84/344329684.db2.gz MBTJEIUJVUKLEQ-VIFPVBQESA-N 0 0 188.274 2.206 10 30 AEEERN C=C[C@@H](C)N1CCc2cccc(N)c21 168394705 344329739 /nfs/dbraw/zinc/32/97/39/344329739.db2.gz MBTJEIUJVUKLEQ-SECBINFHSA-N 0 0 188.274 2.206 10 30 AEEERN C[C@H]1CCN1c1ccc(C#N)cc1F 168384730 344329797 /nfs/dbraw/zinc/32/97/97/344329797.db2.gz JFTNPTLMLSRYJW-QMMMGPOBSA-N 0 0 190.221 2.296 10 30 AEEERN N#Cc1ccc(C2(O)CCCC2)cc1 168384772 344329812 /nfs/dbraw/zinc/32/98/12/344329812.db2.gz PNRINHHZFWMNEP-UHFFFAOYSA-N 0 0 187.242 2.320 10 30 AEEERN C[C@@H]1CCN1c1ccc(C#N)cc1F 168384635 344329911 /nfs/dbraw/zinc/32/99/11/344329911.db2.gz JFTNPTLMLSRYJW-MRVPVSSYSA-N 0 0 190.221 2.296 10 30 AEEERN CC1CN(c2ccc(C#N)cc2F)C1 168383616 344329980 /nfs/dbraw/zinc/32/99/80/344329980.db2.gz ZQJZAYGKTZRJBM-UHFFFAOYSA-N 0 0 190.221 2.153 10 30 AEEERN C=CCCNc1cccc(N)c1 168447301 344330872 /nfs/dbraw/zinc/33/08/72/344330872.db2.gz BQYOQMNHGZHVDN-UHFFFAOYSA-N 0 0 162.236 2.257 10 30 AEEERN CC#CC[C@H](NN)[C@@H]1CCC[C@H](C)C1 168462284 344331479 /nfs/dbraw/zinc/33/14/79/344331479.db2.gz VSEMHDOUNIKWCI-TUAOUCFPSA-N 0 0 194.322 2.058 10 30 AEEERN CC#CC[C@H](NN)[C@H]1CCC[C@H](C)C1 168462472 344331484 /nfs/dbraw/zinc/33/14/84/344331484.db2.gz VSEMHDOUNIKWCI-SRVKXCTJSA-N 0 0 194.322 2.058 10 30 AEEERN C=CCSc1ccncc1 168477775 344331852 /nfs/dbraw/zinc/33/18/52/344331852.db2.gz AXKLHNQVRSJFPH-UHFFFAOYSA-N 0 0 151.234 2.360 10 30 AEEERN CCOc1cc(F)c(F)cc1C#N 168478609 344332045 /nfs/dbraw/zinc/33/20/45/344332045.db2.gz XRDQNYPPCKPYDH-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN C=C(C)[C@H](NN)c1ccccc1Cl 168578483 344332802 /nfs/dbraw/zinc/33/28/02/344332802.db2.gz UNOXWUOWPIVHEY-JTQLQIEISA-N 0 0 196.681 2.421 10 30 AEEERN C#CC[C@@H]([NH3+])c1cc(C)ccc1F 168568891 344332843 /nfs/dbraw/zinc/33/28/43/344332843.db2.gz HRSWNHMHJRIEDL-LLVKDONJSA-N 0 0 177.222 2.157 10 30 AEEERN C/C=C/C(=O)[C@@H](C)C(C)C 168567506 344332875 /nfs/dbraw/zinc/33/28/75/344332875.db2.gz BAPYBUOLJVKJHN-GJIOHYHPSA-N 0 0 140.226 2.424 10 30 AEEERN C=C(C)[C@@H](NN)c1ccccc1Cl 168578581 344332921 /nfs/dbraw/zinc/33/29/21/344332921.db2.gz UNOXWUOWPIVHEY-SNVBAGLBSA-N 0 0 196.681 2.421 10 30 AEEERN C#CC[C@@H]([NH3+])c1sccc1CC 168574583 344332995 /nfs/dbraw/zinc/33/29/95/344332995.db2.gz SZOYFGKCKPDLPV-SECBINFHSA-N 0 0 179.288 2.334 10 30 AEEERN C#CC[C@H]([NH3+])c1cc(C)ccc1F 168568995 344333022 /nfs/dbraw/zinc/33/30/22/344333022.db2.gz HRSWNHMHJRIEDL-NSHDSACASA-N 0 0 177.222 2.157 10 30 AEEERN C#CC[C@H]([NH3+])c1sccc1CC 168574684 344333103 /nfs/dbraw/zinc/33/31/03/344333103.db2.gz SZOYFGKCKPDLPV-VIFPVBQESA-N 0 0 179.288 2.334 10 30 AEEERN C/C=C/C(=O)[C@H](C)C(C)C 168567603 344333118 /nfs/dbraw/zinc/33/31/18/344333118.db2.gz BAPYBUOLJVKJHN-HQZHTGGTSA-N 0 0 140.226 2.424 10 30 AEEERN C=C(C)[C@@H](NN)c1cc(F)ccc1C 168619640 344333934 /nfs/dbraw/zinc/33/39/34/344333934.db2.gz MORGICPSCOLGHI-LLVKDONJSA-N 0 0 194.253 2.215 10 30 AEEERN C=C(C)[C@H](NN)c1cc(F)ccc1C 168619730 344334102 /nfs/dbraw/zinc/33/41/02/344334102.db2.gz MORGICPSCOLGHI-NSHDSACASA-N 0 0 194.253 2.215 10 30 AEEERN C#CC(=O)c1ccccc1CC 168734418 344335524 /nfs/dbraw/zinc/33/55/24/344335524.db2.gz KKYVVLKCLJJFEK-UHFFFAOYSA-N 0 0 158.200 2.065 10 30 AEEERN C#CC(=O)c1c(F)ccc(C)c1F 168735555 344335528 /nfs/dbraw/zinc/33/55/28/344335528.db2.gz ZSHIKXLZVYZOSK-UHFFFAOYSA-N 0 0 180.153 2.089 10 30 AEEERN C#CC(=O)c1cc2c(s1)CCCC2 168732669 344335531 /nfs/dbraw/zinc/33/55/31/344335531.db2.gz YMESPXUBESNZBW-UHFFFAOYSA-N 0 0 190.267 2.443 10 30 AEEERN C=CCC[NH2+]C/C(Cl)=C\Cl 168730303 344335568 /nfs/dbraw/zinc/33/55/68/344335568.db2.gz GAPAFOYQLJIWGM-FNORWQNLSA-N 0 0 180.078 2.471 10 30 AEEERN C#CC(=O)c1cc(C)cc(C)c1 168730990 344335578 /nfs/dbraw/zinc/33/55/78/344335578.db2.gz NXYKKVOXRCWSCH-UHFFFAOYSA-N 0 0 158.200 2.119 10 30 AEEERN C#CC(=O)c1cccc(F)c1Cl 168732220 344335652 /nfs/dbraw/zinc/33/56/52/344335652.db2.gz QULUYZWEOGURLM-UHFFFAOYSA-N 0 0 182.581 2.295 10 30 AEEERN C#CC(=O)c1ccc(OC(F)F)cc1 168732964 344335707 /nfs/dbraw/zinc/33/57/07/344335707.db2.gz ZBEGEHLFDPYSBJ-UHFFFAOYSA-N 0 0 196.152 2.104 10 30 AEEERN C#CC(=O)c1ccc(Cl)cc1OC 168746172 344335907 /nfs/dbraw/zinc/33/59/07/344335907.db2.gz LZFFCBNRIXNEDQ-UHFFFAOYSA-N 0 0 194.617 2.165 10 30 AEEERN C#CC(=O)c1cc(Cl)ccc1OC 168748071 344335915 /nfs/dbraw/zinc/33/59/15/344335915.db2.gz WHWDKZGOVAJCPX-UHFFFAOYSA-N 0 0 194.617 2.165 10 30 AEEERN C#CC(=O)C1(CC)CCCC1 168750197 344335938 /nfs/dbraw/zinc/33/59/38/344335938.db2.gz LRCBDLBSJGLEQJ-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN C#CC(=O)c1cc(C)c(C)s1 168751004 344335954 /nfs/dbraw/zinc/33/59/54/344335954.db2.gz JDQFCLSIMGHYME-UHFFFAOYSA-N 0 0 164.229 2.181 10 30 AEEERN C#CC(=O)c1sccc1Cl 168740456 344335977 /nfs/dbraw/zinc/33/59/77/344335977.db2.gz LWCUMZAVMWKJNF-UHFFFAOYSA-N 0 0 170.620 2.217 10 30 AEEERN C#CC(=O)c1cc(C)ccc1C 168746276 344335990 /nfs/dbraw/zinc/33/59/90/344335990.db2.gz KKRRQBGEHHAQDJ-UHFFFAOYSA-N 0 0 158.200 2.119 10 30 AEEERN C#CC(=O)c1c(F)cccc1Cl 168751997 344336030 /nfs/dbraw/zinc/33/60/30/344336030.db2.gz BBKMCGUIWBSIGS-UHFFFAOYSA-N 0 0 182.581 2.295 10 30 AEEERN C#CC(=O)c1cc(Cl)ccc1C 168745957 344336034 /nfs/dbraw/zinc/33/60/34/344336034.db2.gz FUSLHAPRGVFNCL-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN C#CC(=O)c1sccc1CC 168739447 344336099 /nfs/dbraw/zinc/33/60/99/344336099.db2.gz DLWIZRIYBADCOK-UHFFFAOYSA-N 0 0 164.229 2.126 10 30 AEEERN C#CC(=O)c1cc(C)cc(Cl)c1 168749774 344336121 /nfs/dbraw/zinc/33/61/21/344336121.db2.gz UWXNBABJOULMTN-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN C#CC(=O)Cc1cc(C)ccc1C 168748768 344336185 /nfs/dbraw/zinc/33/61/85/344336185.db2.gz FKOQFVCYCGXXCJ-UHFFFAOYSA-N 0 0 172.227 2.048 10 30 AEEERN C#CC(=O)C[C@@H](C)C(C)(C)C 168749266 344336243 /nfs/dbraw/zinc/33/62/43/344336243.db2.gz XBHMOLBDCNVEGJ-MRVPVSSYSA-N 0 0 152.237 2.261 10 30 AEEERN C#CC(=O)C[C@H](C)C(C)(C)C 168749181 344336256 /nfs/dbraw/zinc/33/62/56/344336256.db2.gz XBHMOLBDCNVEGJ-QMMMGPOBSA-N 0 0 152.237 2.261 10 30 AEEERN C#CC(=O)c1c(C)cc(C)cc1C 168760162 344336458 /nfs/dbraw/zinc/33/64/58/344336458.db2.gz WPKXAPAGOSUYNJ-UHFFFAOYSA-N 0 0 172.227 2.428 10 30 AEEERN C#CC(=O)c1cc2c(s1)CCC2 168763518 344336524 /nfs/dbraw/zinc/33/65/24/344336524.db2.gz CNSKUJNIJVLTHQ-UHFFFAOYSA-N 0 0 176.240 2.053 10 30 AEEERN C#CC(=O)c1cc(C)c(F)cc1F 168756648 344336609 /nfs/dbraw/zinc/33/66/09/344336609.db2.gz OLODPRIECSLMGE-UHFFFAOYSA-N 0 0 180.153 2.089 10 30 AEEERN C#CC(=O)c1ccc(Cl)c(C)c1 168757687 344336641 /nfs/dbraw/zinc/33/66/41/344336641.db2.gz DFVCLVPGYZUAQQ-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN C#CC(=O)c1c(C)oc(C)c1C 168761145 344336671 /nfs/dbraw/zinc/33/66/71/344336671.db2.gz OACOWNJINTXOLV-UHFFFAOYSA-N 0 0 162.188 2.021 10 30 AEEERN C#CC(=O)c1ccc(C)c(Cl)c1 168768453 344336674 /nfs/dbraw/zinc/33/66/74/344336674.db2.gz ZXDZRPIZMIMRMO-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN C#CC(=O)c1ccc(SC)cc1 168765162 344336686 /nfs/dbraw/zinc/33/66/86/344336686.db2.gz ANAGLPHNBNWBTQ-UHFFFAOYSA-N 0 0 176.240 2.224 10 30 AEEERN C#CC(=O)c1ccc(Cl)s1 168759643 344336689 /nfs/dbraw/zinc/33/66/89/344336689.db2.gz LICIAROBEWLQQK-UHFFFAOYSA-N 0 0 170.620 2.217 10 30 AEEERN C#CC(=O)c1ccc(C)cc1C 168763309 344336750 /nfs/dbraw/zinc/33/67/50/344336750.db2.gz GRMOPTUVAYQCIV-UHFFFAOYSA-N 0 0 158.200 2.119 10 30 AEEERN C#CC(=O)c1cccc(C)c1Cl 168758281 344336780 /nfs/dbraw/zinc/33/67/80/344336780.db2.gz SWTJNNXMDDSAHA-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN C=CCCNc1nc(C)cs1 168864360 344338819 /nfs/dbraw/zinc/33/88/19/344338819.db2.gz RRXBJLFLOJSFPQ-UHFFFAOYSA-N 0 0 168.265 2.440 10 30 AEEERN C=C(C)CCOc1cccnc1C#N 168852542 344338652 /nfs/dbraw/zinc/33/86/52/344338652.db2.gz UEONRXJZPYHSDT-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN C=CCCNc1ncc(F)cc1F 168864169 344338662 /nfs/dbraw/zinc/33/86/62/344338662.db2.gz ZAVQQTNPLYUKMW-UHFFFAOYSA-N 0 0 184.189 2.348 10 30 AEEERN C=CCCNC(=O)[C@H](C)CCC 168921114 344339866 /nfs/dbraw/zinc/33/98/66/344339866.db2.gz CGMZEZQAMWTNIR-SECBINFHSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCNC(=O)C(CC)CC 168928363 344339964 /nfs/dbraw/zinc/33/99/64/344339964.db2.gz BNHFLSLWEKIFTO-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCNC(=O)[C@@H](C)CCC 168921205 344340000 /nfs/dbraw/zinc/34/00/00/344340000.db2.gz CGMZEZQAMWTNIR-VIFPVBQESA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCn1ccc2c1CCC[C@@H]2O 168947099 344340885 /nfs/dbraw/zinc/34/08/85/344340885.db2.gz CMIMZMIFHMGLBL-LBPRGKRZSA-N 0 0 191.274 2.434 10 30 AEEERN c1ccc2c(C[C@H]3CO3)coc2c1 168943836 344341036 /nfs/dbraw/zinc/34/10/36/344341036.db2.gz DGRPMYXBVLDXLM-VIFPVBQESA-N 0 0 174.199 2.374 10 30 AEEERN C=CC(=O)C1C(C)(C)C1(C)C 168968969 344341394 /nfs/dbraw/zinc/34/13/94/344341394.db2.gz QMHWPAFADCMWQF-UHFFFAOYSA-N 0 0 152.237 2.424 10 30 AEEERN Cn1c(Cl)nc2ccc(C#N)cc21 168982317 344341440 /nfs/dbraw/zinc/34/14/40/344341440.db2.gz IWWLYLBKYFZAOS-UHFFFAOYSA-N 0 0 191.621 2.098 10 30 AEEERN CCNc1ccc(C#N)c(F)c1 168983767 344341444 /nfs/dbraw/zinc/34/14/44/344341444.db2.gz HTTWXADVUMDAOU-UHFFFAOYSA-N 0 0 164.183 2.129 10 30 AEEERN C=CC(=O)c1ccc(F)c(F)c1F 168976435 344341482 /nfs/dbraw/zinc/34/14/82/344341482.db2.gz PLPCPYHXFUUVBR-UHFFFAOYSA-N 0 0 186.132 2.473 10 30 AEEERN C=CC(=O)[C@@H](C)C(C)C 168970214 344341516 /nfs/dbraw/zinc/34/15/16/344341516.db2.gz OFCALRPJPLZNPK-ZETCQYMHSA-N 0 0 126.199 2.034 10 30 AEEERN N#Cc1ccc(NC2CC2)cc1F 168983546 344341561 /nfs/dbraw/zinc/34/15/61/344341561.db2.gz MEUXWLRPQKYEBN-UHFFFAOYSA-N 0 0 176.194 2.272 10 30 AEEERN C=CC(=O)[C@H](C)C(C)C 168970127 344341677 /nfs/dbraw/zinc/34/16/77/344341677.db2.gz OFCALRPJPLZNPK-SSDOTTSWSA-N 0 0 126.199 2.034 10 30 AEEERN C=CCNc1ccc(C#N)c(F)c1 168986126 344342000 /nfs/dbraw/zinc/34/20/00/344342000.db2.gz ZZTYONBMTGKGHP-UHFFFAOYSA-N 0 0 176.194 2.295 10 30 AEEERN CCN(C)c1ccc(C#N)c(F)c1 168986927 344342008 /nfs/dbraw/zinc/34/20/08/344342008.db2.gz FWOZMHLZBAXRHI-UHFFFAOYSA-N 0 0 178.210 2.153 10 30 AEEERN C=CC(=O)c1cc(OC)cs1 168988943 344342077 /nfs/dbraw/zinc/34/20/77/344342077.db2.gz UBGYUFQDTYNESH-UHFFFAOYSA-N 0 0 168.217 2.125 10 30 AEEERN C#CCCNc1ccc(C#N)c(F)c1 168997721 344342144 /nfs/dbraw/zinc/34/21/44/344342144.db2.gz GLZJAZRXDANYDH-UHFFFAOYSA-N 0 0 188.205 2.133 10 30 AEEERN CN(c1ccc(C#N)c(F)c1)C1CC1 168987033 344342148 /nfs/dbraw/zinc/34/21/48/344342148.db2.gz CHVQVBDLSDTBGF-UHFFFAOYSA-N 0 0 190.221 2.296 10 30 AEEERN C=CC[C@@H](C)Nc1ccc(N)nc1 169046719 344342910 /nfs/dbraw/zinc/34/29/10/344342910.db2.gz IAGFOJXIJCUHGW-MRVPVSSYSA-N 0 0 177.251 2.040 10 30 AEEERN C=CC[C@H](C)Nc1ccc(N)nc1 169046636 344342943 /nfs/dbraw/zinc/34/29/43/344342943.db2.gz IAGFOJXIJCUHGW-QMMMGPOBSA-N 0 0 177.251 2.040 10 30 AEEERN C=CC[C@H](C)Nc1cc(C)c(N)c[nH+]1 169053243 344343332 /nfs/dbraw/zinc/34/33/32/344343332.db2.gz ZTUGWRXXMMJVQQ-VIFPVBQESA-N 0 0 191.278 2.349 10 30 AEEERN CC#CC[C@H](O)c1coc(C)c1 169074331 344343394 /nfs/dbraw/zinc/34/33/94/344343394.db2.gz LKIISNMZABDEPP-JTQLQIEISA-N 0 0 164.204 2.035 10 30 AEEERN C=CC[C@@H](C)Nc1cc(C)c(N)c[nH+]1 169053325 344343417 /nfs/dbraw/zinc/34/34/17/344343417.db2.gz ZTUGWRXXMMJVQQ-SECBINFHSA-N 0 0 191.278 2.349 10 30 AEEERN CC#CC[C@@H](O)c1coc(C)c1 169074415 344343510 /nfs/dbraw/zinc/34/35/10/344343510.db2.gz LKIISNMZABDEPP-SNVBAGLBSA-N 0 0 164.204 2.035 10 30 AEEERN C=C(C)CC[C@@H]1CSCC1=O 169066456 344343665 /nfs/dbraw/zinc/34/36/65/344343665.db2.gz SYORYYFTXUEJDZ-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN CC#CC[C@@H](O)c1cccc(F)c1F 169083188 344344047 /nfs/dbraw/zinc/34/40/47/344344047.db2.gz CGEUKFAANMVFPP-SNVBAGLBSA-N 0 0 196.196 2.412 10 30 AEEERN CC#CC[C@@H](O)CC1CCCC1 169093432 344344502 /nfs/dbraw/zinc/34/45/02/344344502.db2.gz AYNGDUFZNVHFSB-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN C=C(C)CCSCCCO 169088789 344344597 /nfs/dbraw/zinc/34/45/97/344344597.db2.gz GAPRDQBIRJYNRO-UHFFFAOYSA-N 0 0 160.282 2.068 10 30 AEEERN CC#CC[C@H](O)CC1CCCC1 169093358 344344671 /nfs/dbraw/zinc/34/46/71/344344671.db2.gz AYNGDUFZNVHFSB-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC#CC[C@@H](O)c1ccc(CC)o1 169090293 344344779 /nfs/dbraw/zinc/34/47/79/344344779.db2.gz VSJGMSTVSLGDQY-SNVBAGLBSA-N 0 0 178.231 2.289 10 30 AEEERN CC#CC[C@H](O)c1ccc(CC)o1 169090377 344344783 /nfs/dbraw/zinc/34/47/83/344344783.db2.gz VSJGMSTVSLGDQY-JTQLQIEISA-N 0 0 178.231 2.289 10 30 AEEERN CCC[C@H](O)C#C[Si](C)(C)C 196249688 344356419 /nfs/dbraw/zinc/35/64/19/344356419.db2.gz OOELQTIWFFWVSX-VIFPVBQESA-N 0 0 170.328 2.028 10 30 AEEERN C=C(C)CC(=O)[C@H]1CCCCO1 169137122 344346268 /nfs/dbraw/zinc/34/62/68/344346268.db2.gz QBVFCRNFCMGPRM-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CSc1ccc(C)c(N)c1C#N 169124239 344346389 /nfs/dbraw/zinc/34/63/89/344346389.db2.gz RLGNDERTTLUUPB-UHFFFAOYSA-N 0 0 178.260 2.171 10 30 AEEERN CSc1ccc(C#N)c(N)c1C 169122990 344346432 /nfs/dbraw/zinc/34/64/32/344346432.db2.gz UNMARLWQPAJKFY-UHFFFAOYSA-N 0 0 178.260 2.171 10 30 AEEERN C=C(C)CC(=O)[C@@H]1CCCCO1 169137046 344346450 /nfs/dbraw/zinc/34/64/50/344346450.db2.gz QBVFCRNFCMGPRM-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN O=CCCn1ccc2c(F)cccc21 169138735 344346470 /nfs/dbraw/zinc/34/64/70/344346470.db2.gz RYZDOUBFGKYSGT-UHFFFAOYSA-N 0 0 191.205 2.369 10 30 AEEERN C=C(C)CC(=O)[C@@H]1CC[C@@H](C)O1 169140721 344346730 /nfs/dbraw/zinc/34/67/30/344346730.db2.gz NFGJQWYHRVCHIG-SCZZXKLOSA-N 0 0 168.236 2.089 10 30 AEEERN C=C(C)CC(=O)[C@H]1CC[C@@H](C)O1 169140575 344346752 /nfs/dbraw/zinc/34/67/52/344346752.db2.gz NFGJQWYHRVCHIG-PSASIEDQSA-N 0 0 168.236 2.089 10 30 AEEERN N#CCn1ccc2c(F)cccc21 169149822 344346755 /nfs/dbraw/zinc/34/67/55/344346755.db2.gz IPHNFRXMQJFLJX-UHFFFAOYSA-N 0 0 174.178 2.304 10 30 AEEERN C=C(C)CC(=O)[C@@H]1CC[C@H](C)O1 169140804 344346881 /nfs/dbraw/zinc/34/68/81/344346881.db2.gz NFGJQWYHRVCHIG-WPRPVWTQSA-N 0 0 168.236 2.089 10 30 AEEERN Cc1cnc(C#N)c(C)c1Cl 198887447 344360577 /nfs/dbraw/zinc/36/05/77/344360577.db2.gz KVBWJRKKNCKTRN-UHFFFAOYSA-N 0 0 166.611 2.224 10 30 AEEERN C=C(C)CC(=O)[C@H]1CC[C@H](C)O1 169140643 344346966 /nfs/dbraw/zinc/34/69/66/344346966.db2.gz NFGJQWYHRVCHIG-WCBMZHEXSA-N 0 0 168.236 2.089 10 30 AEEERN N#CC[C@@H]1CC[C@@H](c2ccco2)O1 169167991 344347193 /nfs/dbraw/zinc/34/71/93/344347193.db2.gz ZOMARVWNOLPZGJ-WPRPVWTQSA-N 0 0 177.203 2.413 10 30 AEEERN N#CC[C@@H]1CC[C@H](c2ccco2)O1 169167840 344347210 /nfs/dbraw/zinc/34/72/10/344347210.db2.gz ZOMARVWNOLPZGJ-WCBMZHEXSA-N 0 0 177.203 2.413 10 30 AEEERN CC(C)=CC(=O)[C@H]1CC[C@H](C)O1 169162581 344347220 /nfs/dbraw/zinc/34/72/20/344347220.db2.gz HGPFMBGUYAGYIQ-WCBMZHEXSA-N 0 0 168.236 2.089 10 30 AEEERN N#CC[C@H]1CC[C@@H](c2ccco2)O1 169168088 344347222 /nfs/dbraw/zinc/34/72/22/344347222.db2.gz ZOMARVWNOLPZGJ-SCZZXKLOSA-N 0 0 177.203 2.413 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CC[C@H](C)O1 169162733 344347350 /nfs/dbraw/zinc/34/73/50/344347350.db2.gz HGPFMBGUYAGYIQ-WPRPVWTQSA-N 0 0 168.236 2.089 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCCCO1 169160651 344347442 /nfs/dbraw/zinc/34/74/42/344347442.db2.gz HXGSUDXNGARHQP-JTQLQIEISA-N 0 0 168.236 2.091 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCCCO1 169160717 344347489 /nfs/dbraw/zinc/34/74/89/344347489.db2.gz HXGSUDXNGARHQP-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(C)C(=O)c1coc(C)c1 169178586 344347709 /nfs/dbraw/zinc/34/77/09/344347709.db2.gz BOSJNYOELRFCMX-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN C=C(C)C(=O)[C@@H](C)C1CC1 169183879 344347742 /nfs/dbraw/zinc/34/77/42/344347742.db2.gz BAELQDGLBIHILX-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@H](C)C1CC1 169183971 344347758 /nfs/dbraw/zinc/34/77/58/344347758.db2.gz BAELQDGLBIHILX-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@H](C)C(C)C 169175004 344347782 /nfs/dbraw/zinc/34/77/82/344347782.db2.gz ZHQIGDALIGSIPS-MRVPVSSYSA-N 0 0 140.226 2.424 10 30 AEEERN C=C(C)C(=O)[C@@H](C)C(C)C 169175073 344347798 /nfs/dbraw/zinc/34/77/98/344347798.db2.gz ZHQIGDALIGSIPS-QMMMGPOBSA-N 0 0 140.226 2.424 10 30 AEEERN C=CC[C@H](O)CCC(=C)C 169186357 344348207 /nfs/dbraw/zinc/34/82/07/344348207.db2.gz RGIGUGAGWJMEPF-VIFPVBQESA-N 0 0 140.226 2.280 10 30 AEEERN C=C(C)COc1ccc(F)nc1 169204850 344348214 /nfs/dbraw/zinc/34/82/14/344348214.db2.gz BWAOGNYWQUFBSD-UHFFFAOYSA-N 0 0 167.183 2.176 10 30 AEEERN C=CC[C@@H](O)CCC(=C)C 169186282 344348410 /nfs/dbraw/zinc/34/84/10/344348410.db2.gz RGIGUGAGWJMEPF-SECBINFHSA-N 0 0 140.226 2.280 10 30 AEEERN C=CC[NH2+][C@H]1CCCc2occc21 169188060 344348496 /nfs/dbraw/zinc/34/84/96/344348496.db2.gz YNJZZSDOTIJVAS-JTQLQIEISA-N 0 0 177.247 2.433 10 30 AEEERN C#CCC[NH2+][C@H]1CCCc2occc21 169212968 344348955 /nfs/dbraw/zinc/34/89/55/344348955.db2.gz ZKYIXGWONBMDJP-NSHDSACASA-N 0 0 189.258 2.270 10 30 AEEERN C#CCC[NH2+][C@@H]1CCCc2occc21 169212897 344348989 /nfs/dbraw/zinc/34/89/89/344348989.db2.gz ZKYIXGWONBMDJP-LLVKDONJSA-N 0 0 189.258 2.270 10 30 AEEERN C=C(C)[C@@]1(O)CCCc2occc21 169241568 344349245 /nfs/dbraw/zinc/34/92/45/344349245.db2.gz FKHLQFGPRHPRHN-NSHDSACASA-N 0 0 178.231 2.380 10 30 AEEERN C#CCC[C@@]1(O)CCCc2occc21 169243335 344349247 /nfs/dbraw/zinc/34/92/47/344349247.db2.gz CILNRITVALXTBY-GFCCVEGCSA-N 0 0 190.242 2.217 10 30 AEEERN N#C[C@H]1CCCc2occc21 169233107 344349364 /nfs/dbraw/zinc/34/93/64/344349364.db2.gz QDDNEKFBFXVAIC-SSDOTTSWSA-N 0 0 147.177 2.223 10 30 AEEERN C=C(C)[C@]1(O)CCCc2occc21 169241499 344349388 /nfs/dbraw/zinc/34/93/88/344349388.db2.gz FKHLQFGPRHPRHN-LLVKDONJSA-N 0 0 178.231 2.380 10 30 AEEERN C#CCC[C@]1(O)CCCc2occc21 169243263 344349434 /nfs/dbraw/zinc/34/94/34/344349434.db2.gz CILNRITVALXTBY-LBPRGKRZSA-N 0 0 190.242 2.217 10 30 AEEERN N#C[C@@H]1CCCc2occc21 169233072 344349474 /nfs/dbraw/zinc/34/94/74/344349474.db2.gz QDDNEKFBFXVAIC-ZETCQYMHSA-N 0 0 147.177 2.223 10 30 AEEERN N#C[C@@H](C=O)c1cccc(Cl)c1F 169267732 344349953 /nfs/dbraw/zinc/34/99/53/344349953.db2.gz QMTYZTYVZORVRT-LURJTMIESA-N 0 0 197.596 2.285 10 30 AEEERN N#C[C@H](C=O)c1cccc(Cl)c1F 169267663 344350015 /nfs/dbraw/zinc/35/00/15/344350015.db2.gz QMTYZTYVZORVRT-ZCFIWIBFSA-N 0 0 197.596 2.285 10 30 AEEERN C#CC(=O)Cc1cccc(Cl)c1F 169277362 344350525 /nfs/dbraw/zinc/35/05/25/344350525.db2.gz NAEGTEAOSRXDSK-UHFFFAOYSA-N 0 0 196.608 2.224 10 30 AEEERN C/C(=N\O)c1cccc(/C(C)=N/O)c1 169537731 344351021 /nfs/dbraw/zinc/35/10/21/344351021.db2.gz LTIJGHBJYHTJKW-MKICQXMISA-N 0 0 192.218 2.083 10 30 AEEERN COc1c(O)cccc1/C=C/C(C)=O 169533126 344351047 /nfs/dbraw/zinc/35/10/47/344351047.db2.gz FCRZOOAUEPVFJP-VOTSOKGWSA-N 0 0 192.214 2.003 10 30 AEEERN Cn1ccnc1C1(C#N)CCCCC1 169836145 344352644 /nfs/dbraw/zinc/35/26/44/344352644.db2.gz DDFOORXRZHEVPK-UHFFFAOYSA-N 0 0 189.262 2.146 10 30 AEEERN CCC[C@H](S)C[C@H](C)OC(C)=O 205604621 344373960 /nfs/dbraw/zinc/37/39/60/344373960.db2.gz YCOXSKWSKRERBH-CBAPKCEASA-N 0 0 190.308 2.427 10 30 AEEERN CCC#CC#C[Si](C)(C)C 196049988 344355399 /nfs/dbraw/zinc/35/53/99/344355399.db2.gz LAPGWXUAHAQGNZ-UHFFFAOYSA-N 0 0 150.297 2.281 10 30 AEEERN CCCC[C@H](O)C#C[Si](C)(C)C 196060712 344355451 /nfs/dbraw/zinc/35/54/51/344355451.db2.gz CXLMKZVNVIEYTQ-JTQLQIEISA-N 0 0 184.355 2.418 10 30 AEEERN CC#CC[Si](C)(C)C 196042019 344355506 /nfs/dbraw/zinc/35/55/06/344355506.db2.gz CXRYZQGVJTVEEQ-UHFFFAOYSA-N 0 0 126.275 2.348 10 30 AEEERN CCCC[C@@H](O)C#C[Si](C)(C)C 196060722 344355508 /nfs/dbraw/zinc/35/55/08/344355508.db2.gz CXLMKZVNVIEYTQ-SNVBAGLBSA-N 0 0 184.355 2.418 10 30 AEEERN C#C[Si](C)(C)C[Si](C)(C)C#C 196183073 344356016 /nfs/dbraw/zinc/35/60/16/344356016.db2.gz VTOPPNIJZITLQD-UHFFFAOYSA-N 0 0 180.399 2.287 10 30 AEEERN C=C1C(=O)OC[C@H]1CCCCC 196191950 344356023 /nfs/dbraw/zinc/35/60/23/344356023.db2.gz KUEJCCNZERMALW-SECBINFHSA-N 0 0 168.236 2.296 10 30 AEEERN C=C1C(=O)OC[C@@H]1CCCCC 196191959 344356066 /nfs/dbraw/zinc/35/60/66/344356066.db2.gz KUEJCCNZERMALW-VIFPVBQESA-N 0 0 168.236 2.296 10 30 AEEERN C=C(C)CCOP(=O)(OC)OC 196276148 344356462 /nfs/dbraw/zinc/35/64/62/344356462.db2.gz ZEFDQQREAAEOPC-UHFFFAOYSA-N 0 0 194.167 2.370 10 30 AEEERN CC[Si](CC)(CC)[C@@H]1CO1 196267450 344356662 /nfs/dbraw/zinc/35/66/62/344356662.db2.gz VUALFZLORNNTQH-MRVPVSSYSA-N 0 0 158.317 2.433 10 30 AEEERN CC[Si](CC)(CC)[C@H]1CO1 196267460 344356719 /nfs/dbraw/zinc/35/67/19/344356719.db2.gz VUALFZLORNNTQH-QMMMGPOBSA-N 0 0 158.317 2.433 10 30 AEEERN CCC[C@@H](O)C#C[Si](C)(C)C 196249693 344356723 /nfs/dbraw/zinc/35/67/23/344356723.db2.gz OOELQTIWFFWVSX-SECBINFHSA-N 0 0 170.328 2.028 10 30 AEEERN CCC#CCCO[C@H]1CCCCO1 196405933 344357316 /nfs/dbraw/zinc/35/73/16/344357316.db2.gz ABCDROODWUDVQG-LLVKDONJSA-N 0 0 182.263 2.333 10 30 AEEERN CC(=O)N(O)c1cccc(Cl)c1 196414856 344357325 /nfs/dbraw/zinc/35/73/25/344357325.db2.gz OGIHEOIVLNPRNN-UHFFFAOYSA-N 0 0 185.610 2.082 10 30 AEEERN CCC#CCCO[C@@H]1CCCCO1 196405925 344357351 /nfs/dbraw/zinc/35/73/51/344357351.db2.gz ABCDROODWUDVQG-NSHDSACASA-N 0 0 182.263 2.333 10 30 AEEERN C=C(C)c1ccccc1NC=O 196537930 344357531 /nfs/dbraw/zinc/35/75/31/344357531.db2.gz MZUFKBPLCASSJG-UHFFFAOYSA-N 0 0 161.204 2.288 10 30 AEEERN CC[C@H](C=O)COCc1ccccc1 196539295 344357549 /nfs/dbraw/zinc/35/75/49/344357549.db2.gz QZFQZBZUPLANKF-LLVKDONJSA-N 0 0 192.258 2.428 10 30 AEEERN C#C[C@]1(O)C[C@@H](C(=C)C)CC=C1C 196559866 344357634 /nfs/dbraw/zinc/35/76/34/344357634.db2.gz CYYDSDIDECIOCI-RYUDHWBXSA-N 0 0 176.259 2.283 10 30 AEEERN C=C[C@@](C)(c1ccccc1)[N+](=O)[O-] 196549507 344357701 /nfs/dbraw/zinc/35/77/01/344357701.db2.gz PKCBUKCLRQMKSE-JTQLQIEISA-N 0 0 177.203 2.365 10 30 AEEERN C[Si](C)(C)C#CC1(O)CCCC1 196528669 344357741 /nfs/dbraw/zinc/35/77/41/344357741.db2.gz MZESEIQWAWYBLX-UHFFFAOYSA-N 0 0 182.339 2.172 10 30 AEEERN C=C(C)CC(C)(C)C(=O)OC 196554748 344357763 /nfs/dbraw/zinc/35/77/63/344357763.db2.gz QGFIBZDCNFCSBJ-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN CCCCC=C(C(C)=O)C(C)=O 196587871 344358022 /nfs/dbraw/zinc/35/80/22/344358022.db2.gz SLBZSJUMBJNMPG-UHFFFAOYSA-N 0 0 168.236 2.281 10 30 AEEERN O=C(C#CCl)c1ccccc1 196683832 344358347 /nfs/dbraw/zinc/35/83/47/344358347.db2.gz ROEAABFCLNMSBO-UHFFFAOYSA-N 0 0 164.591 2.069 10 30 AEEERN C=CC[C@H]1Cc2ccccc2OC1=O 196667160 344358384 /nfs/dbraw/zinc/35/83/84/344358384.db2.gz QBVFMBYRLJJCKU-JTQLQIEISA-N 0 0 188.226 2.340 10 30 AEEERN C#CC(=O)[Si](C)(C)C(C)(C)C 196672617 344358386 /nfs/dbraw/zinc/35/83/86/344358386.db2.gz LMMORNJSVUTTGK-UHFFFAOYSA-N 0 0 168.312 2.236 10 30 AEEERN C=C[C@@H](C)[C@@H](O)C#C[Si](C)(C)C 197458615 344359732 /nfs/dbraw/zinc/35/97/32/344359732.db2.gz UDMBFMKUWYXEEM-ZJUUUORDSA-N 0 0 182.339 2.050 10 30 AEEERN CN1CCC(c2ccccc2)=C[C@@H]1C#N 198756671 344360598 /nfs/dbraw/zinc/36/05/98/344360598.db2.gz OHNDBSPYTFWNIQ-CYBMUJFWSA-N 0 0 198.269 2.298 10 30 AEEERN O=Cc1cc(F)ccc1C#CC1CC1 198929707 344360701 /nfs/dbraw/zinc/36/07/01/344360701.db2.gz KYZSMKYNNZBATI-UHFFFAOYSA-N 0 0 188.201 2.400 10 30 AEEERN CN1CCC(c2ccccc2)=C[C@H]1C#N 198756693 344360749 /nfs/dbraw/zinc/36/07/49/344360749.db2.gz OHNDBSPYTFWNIQ-ZDUSSCGKSA-N 0 0 198.269 2.298 10 30 AEEERN CC#Cc1ccc(Br)cn1 199583790 344361322 /nfs/dbraw/zinc/36/13/22/344361322.db2.gz SSJWQMWNCUYRPA-UHFFFAOYSA-N 0 0 196.047 2.216 10 30 AEEERN O=CC1(c2ccccc2)CC=CC1 199774215 344361903 /nfs/dbraw/zinc/36/19/03/344361903.db2.gz IECMUCGVHNDKHD-UHFFFAOYSA-N 0 0 172.227 2.473 10 30 AEEERN C=CC[C@@H]1OC(C)(C)O[C@H]1C 199778234 344361967 /nfs/dbraw/zinc/36/19/67/344361967.db2.gz OZLGCNASTQCZMH-YUMQZZPRSA-N 0 0 156.225 2.103 10 30 AEEERN N#Cc1cccc(C2=NCCS2)c1 200168259 344362860 /nfs/dbraw/zinc/36/28/60/344362860.db2.gz SSPPNOIMMPIQPR-UHFFFAOYSA-N 0 0 188.255 2.052 10 30 AEEERN C=C1CCN(C(=O)N(CC)CC)CC1 201504353 344365552 /nfs/dbraw/zinc/36/55/52/344365552.db2.gz BAXVXRBTOZDJRF-UHFFFAOYSA-N 0 0 196.294 2.100 10 30 AEEERN Nc1cc(C#Cc2ccccc2)ccn1 204649894 344369962 /nfs/dbraw/zinc/36/99/62/344369962.db2.gz NMTVUPIVSMUGCI-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN C=CCC/C(C)=C\C(=O)OCC 204811796 344370020 /nfs/dbraw/zinc/37/00/20/344370020.db2.gz OHPWUPYZQFOCEM-HJWRWDBZSA-N 0 0 168.236 2.462 10 30 AEEERN C=C(C)[C@H]1C[C@@H](O)[C@@]2(C)C[C@H]2C1 204800262 344370199 /nfs/dbraw/zinc/37/01/99/344370199.db2.gz VJCJFHXSPMGNOA-DBIOUOCHSA-N 0 0 166.264 2.360 10 30 AEEERN C#CCC(C)(C)C/C=C(\C)CO 205401588 344371518 /nfs/dbraw/zinc/37/15/18/344371518.db2.gz DYARROKDWBKQDD-UXBLZVDNSA-N 0 0 166.264 2.365 10 30 AEEERN CCC[C@@H](S)C[C@H](C)OC(C)=O 205604639 344374229 /nfs/dbraw/zinc/37/42/29/344374229.db2.gz YCOXSKWSKRERBH-IONNQARKSA-N 0 0 190.308 2.427 10 30 AEEERN C=C[C@H](O)CCC#C[Si](C)(C)C 205670139 344374281 /nfs/dbraw/zinc/37/42/81/344374281.db2.gz NSPHOSNSGPWZRP-JTQLQIEISA-N 0 0 182.339 2.194 10 30 AEEERN C=CC[C@H]1C=CC[C@H](C)O1 205586702 344374295 /nfs/dbraw/zinc/37/42/95/344374295.db2.gz NFKPYWOQSJOOCH-IUCAKERBSA-N 0 0 138.210 2.296 10 30 AEEERN C=CCCC(=O)/C(C)=C/OC 205885922 344374548 /nfs/dbraw/zinc/37/45/48/344374548.db2.gz RWKADOLEXHKBNZ-BQYQJAHWSA-N 0 0 154.209 2.072 10 30 AEEERN O=C1C=CCCCC=CC1 205790956 344374614 /nfs/dbraw/zinc/37/46/14/344374614.db2.gz VMZYLICMVYEAQT-QFXXITGJSA-N 0 0 136.194 2.242 10 30 AEEERN CC1=CC=C(C(C)(C)C)C(=O)C1=O 205790981 344374651 /nfs/dbraw/zinc/37/46/51/344374651.db2.gz KYFBSLNVMLOXMS-UHFFFAOYSA-N 0 0 178.231 2.057 10 30 AEEERN C=C1C[C@H](/C=C/CCC)OC1=O 205987522 344375129 /nfs/dbraw/zinc/37/51/29/344375129.db2.gz JRFOPTXOHHMIKD-CYNONHLPSA-N 0 0 166.220 2.214 10 30 AEEERN C=C1C[C@@H](/C=C/CCC)OC1=O 205987507 344375162 /nfs/dbraw/zinc/37/51/62/344375162.db2.gz JRFOPTXOHHMIKD-VUHVRTRXSA-N 0 0 166.220 2.214 10 30 AEEERN C=C(C)C(=O)OCC1=CCC=C1 206541581 344375409 /nfs/dbraw/zinc/37/54/09/344375409.db2.gz FRYFIVFMLJXASU-UHFFFAOYSA-N 0 0 163.196 2.025 10 30 AEEERN CC(C)(C#C[Si](C)(C)C)C=O 207009301 344375506 /nfs/dbraw/zinc/37/55/06/344375506.db2.gz JMAWTXFRTXQRKK-UHFFFAOYSA-N 0 0 168.312 2.092 10 30 AEEERN C#C[C@@H]1CCC[C@]2(CCCCO2)O1 207077825 344375965 /nfs/dbraw/zinc/37/59/65/344375965.db2.gz FUXCVALYRWZCPZ-MNOVXSKESA-N 0 0 180.247 2.086 10 30 AEEERN CSC#Cc1ccc2c(c1)OCO2 207460326 344376120 /nfs/dbraw/zinc/37/61/20/344376120.db2.gz VTMCCJOACDTCTN-UHFFFAOYSA-N 0 0 192.239 2.087 10 30 AEEERN CSC#Cc1cccc([N+](=O)[O-])c1 207460255 344376145 /nfs/dbraw/zinc/37/61/45/344376145.db2.gz AQEZJAFXOORLMK-UHFFFAOYSA-N 0 0 193.227 2.267 10 30 AEEERN C=CC/C(=N/O)c1ccc(C#N)cc1 207899969 344376441 /nfs/dbraw/zinc/37/64/41/344376441.db2.gz OSSGXJCVZHOWND-QBFSEMIESA-N 0 0 186.214 2.313 10 30 AEEERN CCCC(=O)O/N=C(\C)CC 207654196 344376667 /nfs/dbraw/zinc/37/66/67/344376667.db2.gz GLFWFUQOSGMOCS-VQHVLOKHSA-N 0 0 157.213 2.116 10 30 AEEERN C=CC[C@@H](C)[C@H](O)C#C[Si](C)(C)C 211252213 344377311 /nfs/dbraw/zinc/37/73/11/344377311.db2.gz GPCZCLZTBWCBOF-GHMZBOCLSA-N 0 0 196.366 2.440 10 30 AEEERN CC/N=C(\CC)N(CC)C(=O)CC 211793186 344379131 /nfs/dbraw/zinc/37/91/31/344379131.db2.gz JJHGKAIDMZNCDT-PKNBQFBNSA-N 0 0 184.283 2.073 10 30 AEEERN C=C[C@H](C)[C@H](O)C#C[Si](C)(C)C 212787589 344380266 /nfs/dbraw/zinc/38/02/66/344380266.db2.gz UDMBFMKUWYXEEM-VHSXEESVSA-N 0 0 182.339 2.050 10 30 AEEERN C=CCCC1=CCC[C@H]1O 212619928 344380356 /nfs/dbraw/zinc/38/03/56/344380356.db2.gz NQNCFAWTZURXMU-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN C=CCCC1=CCC[C@@H]1O 212619865 344380391 /nfs/dbraw/zinc/38/03/91/344380391.db2.gz NQNCFAWTZURXMU-VIFPVBQESA-N 0 0 138.210 2.034 10 30 AEEERN C[C@@H]1CCC[C@@H](C)C12CO2 213994279 344381977 /nfs/dbraw/zinc/38/19/77/344381977.db2.gz LJNZVWZRROZDHY-HTQZYQBOSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1CCC[C@H](C)C12CO2 213994226 344382028 /nfs/dbraw/zinc/38/20/28/344382028.db2.gz LJNZVWZRROZDHY-YUMQZZPRSA-N 0 0 140.226 2.212 10 30 AEEERN CCc1c(F)cc(CC#N)cc1OC 214719622 344382635 /nfs/dbraw/zinc/38/26/35/344382635.db2.gz GWTCJIDFXZLNEK-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN N#Cc1cc(N)ccc1-c1ccc[nH]1 214738782 344382747 /nfs/dbraw/zinc/38/27/47/344382747.db2.gz WPDCGNVWGSTVFO-UHFFFAOYSA-N 0 0 183.214 2.136 10 30 AEEERN N#Cc1ccc(-c2ccc[nH]2)c(N)c1 214791814 344383317 /nfs/dbraw/zinc/38/33/17/344383317.db2.gz OLXUAVPJWCZBGI-UHFFFAOYSA-N 0 0 183.214 2.136 10 30 AEEERN Cc1ccc(F)c(NCC#N)c1F 215069180 344385387 /nfs/dbraw/zinc/38/53/87/344385387.db2.gz GPZDNGQANRRIIX-UHFFFAOYSA-N 0 0 182.173 2.209 10 30 AEEERN C#CCNc1c(F)ccc(C)c1F 215031754 344385488 /nfs/dbraw/zinc/38/54/88/344385488.db2.gz SQKOXIUWFVWNNU-UHFFFAOYSA-N 0 0 181.185 2.318 10 30 AEEERN CC(=N)Nc1c(F)ccc(C)c1F 215085954 344385679 /nfs/dbraw/zinc/38/56/79/344385679.db2.gz BDDFGEHCVIOHOK-UHFFFAOYSA-N 0 0 184.189 2.282 10 30 AEEERN CO[C@]1(C#N)CCc2c(F)cccc21 215089001 344385761 /nfs/dbraw/zinc/38/57/61/344385761.db2.gz CGFAGPALPGLWJM-NSHDSACASA-N 0 0 191.205 2.137 10 30 AEEERN CC[C@@H](C#N)NN1[C@@H](C)CCC[C@H]1C 215107295 344385839 /nfs/dbraw/zinc/38/58/39/344385839.db2.gz MWGJXMANWZWTPA-AXFHLTTASA-N 0 0 195.310 2.056 10 30 AEEERN CC[C@H](C#N)NN1[C@@H](C)CCC[C@H]1C 215107340 344385857 /nfs/dbraw/zinc/38/58/57/344385857.db2.gz MWGJXMANWZWTPA-OUAUKWLOSA-N 0 0 195.310 2.056 10 30 AEEERN CC[C@H](C#N)NN1[C@@H](C)CCC[C@@H]1C 215107435 344385914 /nfs/dbraw/zinc/38/59/14/344385914.db2.gz MWGJXMANWZWTPA-GARJFASQSA-N 0 0 195.310 2.056 10 30 AEEERN C=CCOc1cc(C#N)cc(Cl)n1 215392459 344388644 /nfs/dbraw/zinc/38/86/44/344388644.db2.gz YKUVPOKPXANHBT-UHFFFAOYSA-N 0 0 194.621 2.171 10 30 AEEERN CCOc1cc(C#N)cc(Cl)n1 215368791 344388707 /nfs/dbraw/zinc/38/87/07/344388707.db2.gz FGXVIHPOVSLKFV-UHFFFAOYSA-N 0 0 182.610 2.005 10 30 AEEERN CCCNc1cc(C#N)cc(Cl)n1 215363326 344388799 /nfs/dbraw/zinc/38/87/99/344388799.db2.gz HQCMYSSDJRAQNM-UHFFFAOYSA-N 0 0 195.653 2.429 10 30 AEEERN C#CCC[C@@](C)(O)c1ccc(O)cc1 215414850 344389213 /nfs/dbraw/zinc/38/92/13/344389213.db2.gz WRFPSVKBZROLQF-GFCCVEGCSA-N 0 0 190.242 2.013 10 30 AEEERN C=C(C)c1nc([N+](=O)[O-])ccc1OC 215602050 344390082 /nfs/dbraw/zinc/39/00/82/344390082.db2.gz VOLLGVFKEKSVIQ-UHFFFAOYSA-N 0 0 194.190 2.032 10 30 AEEERN SCc1csc(Cl)n1 215610562 344390473 /nfs/dbraw/zinc/39/04/73/344390473.db2.gz HGMKQZPJRSXEOB-UHFFFAOYSA-N 0 0 165.670 2.226 10 30 AEEERN CC(=O)C(=C(C)O)C(C)C 215696397 344391091 /nfs/dbraw/zinc/39/10/91/344391091.db2.gz YUJOPBIGNRRDHA-SOFGYWHQSA-N 0 0 142.198 2.063 10 30 AEEERN CCSC(=O)CC(C)=S 215946375 344394019 /nfs/dbraw/zinc/39/40/19/344394019.db2.gz WDPJCAICDFMNPR-PLNGDYQASA-N 0 0 162.279 2.100 10 30 AEEERN C[C@H]1CCCC[C@H]1N[C@H](C)C#N 216149736 344395130 /nfs/dbraw/zinc/39/51/30/344395130.db2.gz BDXOAGLHWLHYCI-IVZWLZJFSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1CCCC[C@@H]1N[C@H](C)C#N 216149776 344395140 /nfs/dbraw/zinc/39/51/40/344395140.db2.gz BDXOAGLHWLHYCI-AEJSXWLSSA-N 0 0 166.268 2.067 10 30 AEEERN CC1=NOC(=O)/C1=C\c1ccsc1 216207234 344395681 /nfs/dbraw/zinc/39/56/81/344395681.db2.gz PNAPIDDZSOOFIF-YWEYNIOJSA-N 0 0 193.227 2.064 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@H]1N[C@H](C)C#N 216194231 344395786 /nfs/dbraw/zinc/39/57/86/344395786.db2.gz ZHCVPUZLMPJCAQ-CHWFTXMASA-N 0 0 180.295 2.313 10 30 AEEERN N#Cc1ccc([N+](=O)[O-])cc1C1CC1 216516799 344398010 /nfs/dbraw/zinc/39/80/10/344398010.db2.gz VUGARNAHLPQMTA-UHFFFAOYSA-N 0 0 188.186 2.344 10 30 AEEERN CO/N=C1\CCCC=C1C 216539097 344398135 /nfs/dbraw/zinc/39/81/35/344398135.db2.gz LOSKJYLZIGKWEJ-CMDGGOBGSA-N 0 0 139.198 2.119 10 30 AEEERN COc1cc(F)cc(C#N)c1C 217055100 344400441 /nfs/dbraw/zinc/40/04/41/344400441.db2.gz SRWCXMREYIABSY-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN C[C@@](C#N)(CC1CC1)c1cncnc1 217350384 344401313 /nfs/dbraw/zinc/40/13/13/344401313.db2.gz VBOCDEALNAYHAC-NSHDSACASA-N 0 0 187.246 2.058 10 30 AEEERN C[C@](C#N)(CC1CC1)c1cncnc1 217350305 344401342 /nfs/dbraw/zinc/40/13/42/344401342.db2.gz VBOCDEALNAYHAC-LLVKDONJSA-N 0 0 187.246 2.058 10 30 AEEERN CCCC/C=C/C(=O)c1nccn1C 217475572 344401746 /nfs/dbraw/zinc/40/17/46/344401746.db2.gz LSCXVOJIBCMLMA-VOTSOKGWSA-N 0 0 192.262 2.349 10 30 AEEERN C[C@H]1O[C@@H]1c1ccsc1 217632808 344404103 /nfs/dbraw/zinc/40/41/03/344404103.db2.gz KYYOXRFKVPILNW-VDTYLAMSSA-N 0 0 140.207 2.208 10 30 AEEERN C[C@H]1O[C@H]1c1ccsc1 217632628 344404268 /nfs/dbraw/zinc/40/42/68/344404268.db2.gz KYYOXRFKVPILNW-IYSWYEEDSA-N 0 0 140.207 2.208 10 30 AEEERN N#Cc1ccc(CS)cc1F 217643714 344404290 /nfs/dbraw/zinc/40/42/90/344404290.db2.gz GTVQOSQWRNFXGI-UHFFFAOYSA-N 0 0 167.208 2.127 10 30 AEEERN C[C@@H]1O[C@H]1c1ccsc1 217632719 344404361 /nfs/dbraw/zinc/40/43/61/344404361.db2.gz KYYOXRFKVPILNW-CAHLUQPWSA-N 0 0 140.207 2.208 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccsc1 217632886 344404367 /nfs/dbraw/zinc/40/43/67/344404367.db2.gz KYYOXRFKVPILNW-FSPLSTOPSA-N 0 0 140.207 2.208 10 30 AEEERN CC/C=C/C(=O)C=C(C)C 217788727 344406044 /nfs/dbraw/zinc/40/60/44/344406044.db2.gz CMQIDSFBRZKDCF-AATRIKPKSA-N 0 0 138.210 2.488 10 30 AEEERN Cc1cc([N+](=O)[O-])c(C)cc1CC#N 217800514 344406626 /nfs/dbraw/zinc/40/66/26/344406626.db2.gz QCLOSQYHTQOGRD-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN C=C1CCCc2cc(OC)ncc21 217868606 344407076 /nfs/dbraw/zinc/40/70/76/344407076.db2.gz PAMJOYTVWPVAJW-UHFFFAOYSA-N 0 0 175.231 2.440 10 30 AEEERN C/C(=N\[S@@](=O)C(C)(C)C)C1CC1 217865882 344407189 /nfs/dbraw/zinc/40/71/89/344407189.db2.gz VNQGJYYFNVSDFU-PMDBQALLSA-N 0 0 187.308 2.320 10 30 AEEERN CCc1ccc(CS)nc1 218018463 344408862 /nfs/dbraw/zinc/40/88/62/344408862.db2.gz YCQKODFHPMBXDT-UHFFFAOYSA-N 0 0 153.250 2.074 10 30 AEEERN O=C1CCC=C1c1ccoc1 218014495 344408872 /nfs/dbraw/zinc/40/88/72/344408872.db2.gz AQEQDZOYGPOBQQ-UHFFFAOYSA-N 0 0 148.161 2.026 10 30 AEEERN CC(C)(C)[S@](=O)/N=C/C1CCC1 218029126 344409163 /nfs/dbraw/zinc/40/91/63/344409163.db2.gz IVPDZAGNBRQAIK-PMDBQALLSA-N 0 0 187.308 2.320 10 30 AEEERN C#CCn1nc(Cl)c2ccccc21 218042528 344409397 /nfs/dbraw/zinc/40/93/97/344409397.db2.gz OGKRUOFHHVPNOZ-UHFFFAOYSA-N 0 0 190.633 2.323 10 30 AEEERN CC[C@](C)(C#N)C1CCOCC1 218142894 344409567 /nfs/dbraw/zinc/40/95/67/344409567.db2.gz YIYGRGLKOSEJHQ-SNVBAGLBSA-N 0 0 167.252 2.353 10 30 AEEERN CCOc1c(F)cccc1C#N 218116703 344409609 /nfs/dbraw/zinc/40/96/09/344409609.db2.gz WERLSUXUIBERMU-UHFFFAOYSA-N 0 0 165.167 2.096 10 30 AEEERN CC[C@@](C)(C#N)C1CCOCC1 218142812 344409701 /nfs/dbraw/zinc/40/97/01/344409701.db2.gz YIYGRGLKOSEJHQ-JTQLQIEISA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@@](C)(C#N)C1CC1 218141866 344409719 /nfs/dbraw/zinc/40/97/19/344409719.db2.gz RKJFIDRYYLMAIY-QMMMGPOBSA-N 0 0 123.199 2.336 10 30 AEEERN Cc1cc([N+](=O)[O-])c(F)cc1CC#N 218131946 344409722 /nfs/dbraw/zinc/40/97/22/344409722.db2.gz VPQFBHDFQQXHRO-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN Cc1cc(CC#N)c(F)cc1[N+](=O)[O-] 218129563 344409755 /nfs/dbraw/zinc/40/97/55/344409755.db2.gz LFBKFQRRRUKKGC-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CC[C@](C)(C#N)C1CC1 218141955 344409884 /nfs/dbraw/zinc/40/98/84/344409884.db2.gz RKJFIDRYYLMAIY-MRVPVSSYSA-N 0 0 123.199 2.336 10 30 AEEERN C/C(=N\O)c1cccc(F)c1F 218163641 344410272 /nfs/dbraw/zinc/41/02/72/344410272.db2.gz GEEKLOHZMNXUTA-VZUCSPMQSA-N 0 0 171.146 2.163 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCC[C@@H](C)C1 218194342 344410530 /nfs/dbraw/zinc/41/05/30/344410530.db2.gz NSPKQIVVHSYOEY-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(O)[C@@]1(C#N)CC[C@@H](C)C1 218245244 344410574 /nfs/dbraw/zinc/41/05/74/344410574.db2.gz HHODUUAQKJDQEY-VWYCJHECSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCC[C@@H](C)C1 218194463 344410592 /nfs/dbraw/zinc/41/05/92/344410592.db2.gz NSPKQIVVHSYOEY-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCCC[C@@]1(O)[C@H](C)C#N 218203913 344410596 /nfs/dbraw/zinc/41/05/96/344410596.db2.gz BUHFCKCIWBIYIO-AEJSXWLSSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@@](C)(O)C2CC2)C1 218248093 344410645 /nfs/dbraw/zinc/41/06/45/344410645.db2.gz JHKCAOYZRXGSEP-USWWRNFRSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@](C)(O)[C@]1(C#N)CC[C@@H](C)C1 218245378 344410668 /nfs/dbraw/zinc/41/06/68/344410668.db2.gz HHODUUAQKJDQEY-OUAUKWLOSA-N 0 0 181.279 2.477 10 30 AEEERN CC12CCC(C=O)(CC1)C2 218349035 344411396 /nfs/dbraw/zinc/41/13/96/344411396.db2.gz HPPCEJKWYFYTTR-UHFFFAOYSA-N 0 0 138.210 2.156 10 30 AEEERN N#CC1(C2=CCOCC2)CCC1 218370679 344411789 /nfs/dbraw/zinc/41/17/89/344411789.db2.gz VYSQWMDYYKKMAY-UHFFFAOYSA-N 0 0 163.220 2.027 10 30 AEEERN N#CC1(C2=COCCC2)CCC1 218387134 344411842 /nfs/dbraw/zinc/41/18/42/344411842.db2.gz VKNAIHVIVYQKRN-UHFFFAOYSA-N 0 0 163.220 2.375 10 30 AEEERN CC(C)[C@](C)(O)/C=N/C(C)(C)C 218382959 344411953 /nfs/dbraw/zinc/41/19/53/344411953.db2.gz MEDVVJSQCJAXOW-UEUZTHOGSA-N 0 0 171.284 2.263 10 30 AEEERN N#CC1([C@H]2CCCOC2)CCC1 218398184 344411959 /nfs/dbraw/zinc/41/19/59/344411959.db2.gz COLPREOXALERMX-VIFPVBQESA-N 0 0 165.236 2.107 10 30 AEEERN N#CC1([C@@H]2CCCOC2)CCC1 218398264 344412053 /nfs/dbraw/zinc/41/20/53/344412053.db2.gz COLPREOXALERMX-SECBINFHSA-N 0 0 165.236 2.107 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@@H](O)C2CC2)C1 218421082 344412313 /nfs/dbraw/zinc/41/23/13/344412313.db2.gz NAMWHVAEJVZMCB-DVVUODLYSA-N 0 0 179.263 2.087 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@@H](O)C2CC2)C1 218421228 344412364 /nfs/dbraw/zinc/41/23/64/344412364.db2.gz NAMWHVAEJVZMCB-MIMYLULJSA-N 0 0 179.263 2.087 10 30 AEEERN COc1ccc(C(C)=O)c(C)c1C#N 218409601 344412485 /nfs/dbraw/zinc/41/24/85/344412485.db2.gz JBTRTWZWSBMGTD-UHFFFAOYSA-N 0 0 189.214 2.078 10 30 AEEERN C[C@H](O)[C@]1(C#N)CCC[C@@H](C)C1 218467581 344412589 /nfs/dbraw/zinc/41/25/89/344412589.db2.gz UABNOXRKSLRMDQ-KXUCPTDWSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](O)[C@@]1(C#N)CCC[C@@H](C)C1 218468360 344412656 /nfs/dbraw/zinc/41/26/56/344412656.db2.gz DNRYBPGKJUHHJO-VWYCJHECSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](O)[C@]1(C#N)CC[C@@H](C)C1 218455305 344412761 /nfs/dbraw/zinc/41/27/61/344412761.db2.gz HBQDSSYNDHFWDE-OUAUKWLOSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)[C@]1(C#N)CC[C@@H](C)C1 218469187 344412778 /nfs/dbraw/zinc/41/27/78/344412778.db2.gz DAVSGRLDRKYIAX-KXUCPTDWSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](O)[C@@]1(C#N)CC[C@@H](C)C1 218469024 344412819 /nfs/dbraw/zinc/41/28/19/344412819.db2.gz DAVSGRLDRKYIAX-UTLUCORTSA-N 0 0 167.252 2.087 10 30 AEEERN FC(F)(F)C/N=C/c1cccnc1 218454921 344412855 /nfs/dbraw/zinc/41/28/55/344412855.db2.gz DMBHMXTYKDOTRU-WLRTZDKTSA-N 0 0 188.152 2.063 10 30 AEEERN CCC[C@H](O)[C@@]1(C#N)CC[C@@H](C)C1 218455170 344412878 /nfs/dbraw/zinc/41/28/78/344412878.db2.gz HBQDSSYNDHFWDE-VWYCJHECSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C#N)[C@H](O)[C@@H]1CC=CCC1 218461945 344412891 /nfs/dbraw/zinc/41/28/91/344412891.db2.gz QSKSALVJGPTGGT-MXWKQRLJSA-N 0 0 179.263 2.253 10 30 AEEERN C[C@H](O)[C@@]1(C#N)CCC[C@@H](C)C1 218467510 344412894 /nfs/dbraw/zinc/41/28/94/344412894.db2.gz UABNOXRKSLRMDQ-UTLUCORTSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@@H](O)[C@@H]1CC=CCC1 218461791 344412928 /nfs/dbraw/zinc/41/29/28/344412928.db2.gz QSKSALVJGPTGGT-GMTAPVOTSA-N 0 0 179.263 2.253 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CC[C@@H](C)C1 218528294 344413177 /nfs/dbraw/zinc/41/31/77/344413177.db2.gz OQILALOVCSRDJX-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CC[C@@](O)([C@@H](C#N)CC)C1 218532192 344413179 /nfs/dbraw/zinc/41/31/79/344413179.db2.gz DRNZFWOVHPFZDE-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CC[C@@H](C)C1 218528145 344413187 /nfs/dbraw/zinc/41/31/87/344413187.db2.gz OQILALOVCSRDJX-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)CC[C@@H](C)C1 218527502 344413236 /nfs/dbraw/zinc/41/32/36/344413236.db2.gz WAZBKAYSWIPQCD-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(C#N)[C@@]1(O)CC[C@@H](C)C1 218527356 344413252 /nfs/dbraw/zinc/41/32/52/344413252.db2.gz WAZBKAYSWIPQCD-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CC[C@](O)([C@@H](C#N)CC)C1 218532106 344413313 /nfs/dbraw/zinc/41/33/13/344413313.db2.gz DRNZFWOVHPFZDE-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN N#Cc1cccc(-c2cncnc2)c1F 218498192 344413365 /nfs/dbraw/zinc/41/33/65/344413365.db2.gz ILJKTYOSGRYYPB-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C=CCCC(=O)N(CC=C)CC=C 218568227 344413493 /nfs/dbraw/zinc/41/34/93/344413493.db2.gz GAVUEQAWXOZDGE-UHFFFAOYSA-N 0 0 179.263 2.153 10 30 AEEERN C=C1CC(C)(CC#N)C1 218563590 344413546 /nfs/dbraw/zinc/41/35/46/344413546.db2.gz SDXZDWPJIYCVLF-UHFFFAOYSA-N 0 0 121.183 2.256 10 30 AEEERN C(=N/c1cccnc1)\c1ccccn1 218545167 344413559 /nfs/dbraw/zinc/41/35/59/344413559.db2.gz MGIAWKINAYZLOA-NTEUORMPSA-N 0 0 183.214 2.227 10 30 AEEERN O=C(/C=C/Cl)C1CCC1 218570413 344413561 /nfs/dbraw/zinc/41/35/61/344413561.db2.gz QBUZCIIGQFZCQR-SNAWJCMRSA-N 0 0 144.601 2.108 10 30 AEEERN C[C@@]1(CC2CCCC2)CO1 218552721 344413563 /nfs/dbraw/zinc/41/35/63/344413563.db2.gz AVBMTJRHWIPWIP-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@]1(O)[C@H](C)C#N 218552430 344413617 /nfs/dbraw/zinc/41/36/17/344413617.db2.gz FHLRANLDZALWHG-LMLFDSFASA-N 0 0 181.279 2.333 10 30 AEEERN C[C@]1(CC2CCCC2)CO1 218552651 344413729 /nfs/dbraw/zinc/41/37/29/344413729.db2.gz AVBMTJRHWIPWIP-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CC[C@@H](C)C[C@@H]1C 218552354 344413733 /nfs/dbraw/zinc/41/37/33/344413733.db2.gz FHLRANLDZALWHG-VPOLOUISSA-N 0 0 181.279 2.333 10 30 AEEERN C[C@]1(Cc2cccs2)CO1 218610061 344413904 /nfs/dbraw/zinc/41/39/04/344413904.db2.gz SAPPHFHJJOPJAE-QMMMGPOBSA-N 0 0 154.234 2.080 10 30 AEEERN C[C@@]1(Cc2cccs2)CO1 218610140 344413997 /nfs/dbraw/zinc/41/39/97/344413997.db2.gz SAPPHFHJJOPJAE-MRVPVSSYSA-N 0 0 154.234 2.080 10 30 AEEERN C1C2CC3CC1CC(C2)C3[C@H]1CO1 218643957 344414393 /nfs/dbraw/zinc/41/43/93/344414393.db2.gz CAEAFBYOKLDFSK-AZOGYHBKSA-N 0 0 178.275 2.458 10 30 AEEERN C1C2CC3CC1CC(C2)C3[C@@H]1CO1 218643885 344414530 /nfs/dbraw/zinc/41/45/30/344414530.db2.gz CAEAFBYOKLDFSK-FMBFNZMWSA-N 0 0 178.275 2.458 10 30 AEEERN CC(C)(C)CSCC#N 218619366 344414549 /nfs/dbraw/zinc/41/45/49/344414549.db2.gz HOKFJFYAULSBKM-UHFFFAOYSA-N 0 0 143.255 2.289 10 30 AEEERN Cc1cc(Cl)ccc1CC=O 218710179 344415367 /nfs/dbraw/zinc/41/53/67/344415367.db2.gz JLKIYPRXCSWSRQ-UHFFFAOYSA-N 0 0 168.623 2.390 10 30 AEEERN O=C(/C=C/Cl)c1ccccn1 218748105 344415661 /nfs/dbraw/zinc/41/56/61/344415661.db2.gz KIBUGSBJXSLZEW-SNAWJCMRSA-N 0 0 167.595 2.017 10 30 AEEERN O=C(/C=C/Cl)c1cccnc1 218748170 344415676 /nfs/dbraw/zinc/41/56/76/344415676.db2.gz XCPMHHNYUIYJDZ-ONEGZZNKSA-N 0 0 167.595 2.017 10 30 AEEERN Cc1cc(N(C)C)cc(C)c1C#N 219039334 344419102 /nfs/dbraw/zinc/41/91/02/344419102.db2.gz BXCDZVXGIFBDST-UHFFFAOYSA-N 0 0 174.247 2.241 10 30 AEEERN CC#COc1ccc(OC)cc1 219086095 344419574 /nfs/dbraw/zinc/41/95/74/344419574.db2.gz DDOVDNULGVIPCL-UHFFFAOYSA-N 0 0 162.188 2.055 10 30 AEEERN N#Cc1[nH]c2cc(Cl)ccc2c1N 219094824 344420162 /nfs/dbraw/zinc/42/01/62/344420162.db2.gz HFOWFHFCLKSHRW-UHFFFAOYSA-N 0 0 191.621 2.275 10 30 AEEERN N#CCC[C@H](O)c1ccc(F)c(F)c1 219200398 344420905 /nfs/dbraw/zinc/42/09/05/344420905.db2.gz LQBABPIBBJIGEJ-JTQLQIEISA-N 0 0 197.184 2.302 10 30 AEEERN CC(C)(C)[S@@](=O)/N=C/C1CCC1 219374121 344423151 /nfs/dbraw/zinc/42/31/51/344423151.db2.gz IVPDZAGNBRQAIK-OFFHKIPUSA-N 0 0 187.308 2.320 10 30 AEEERN C=CCN(C)C(=O)c1ccc(C)cc1 219352038 344423191 /nfs/dbraw/zinc/42/31/91/344423191.db2.gz HCJWODUJAQMQJU-UHFFFAOYSA-N 0 0 189.258 2.253 10 30 AEEERN COc1cc(/C(C)=N\O)ccc1F 219361608 344423231 /nfs/dbraw/zinc/42/32/31/344423231.db2.gz QPIYUGKUPHPROA-WDZFZDKYSA-N 0 0 183.182 2.033 10 30 AEEERN C[C@H]1CCC[C@H](C)N1N[C@H](C)CC#N 219411050 344423472 /nfs/dbraw/zinc/42/34/72/344423472.db2.gz YLZFDZICSNAPIB-VWYCJHECSA-N 0 0 195.310 2.056 10 30 AEEERN C[C@H]1CCC[C@@H](C)N1N[C@H](C)CC#N 219411141 344423474 /nfs/dbraw/zinc/42/34/74/344423474.db2.gz YLZFDZICSNAPIB-MXWKQRLJSA-N 0 0 195.310 2.056 10 30 AEEERN N#C[C@H](N)CC1CCCCCC1 219398978 344423528 /nfs/dbraw/zinc/42/35/28/344423528.db2.gz GMBAJBXYZZXBJF-SNVBAGLBSA-N 0 0 166.268 2.198 10 30 AEEERN N#Cc1cnc(C2CCC2)nc1Cl 219422302 344423549 /nfs/dbraw/zinc/42/35/49/344423549.db2.gz BACQSKBUBVHLKB-UHFFFAOYSA-N 0 0 193.637 2.269 10 30 AEEERN N#C[C@@H](N)CC1CCCCCC1 219398913 344423736 /nfs/dbraw/zinc/42/37/36/344423736.db2.gz GMBAJBXYZZXBJF-JTQLQIEISA-N 0 0 166.268 2.198 10 30 AEEERN C[C@@](N)(C#N)CC1CCCCC1 219398827 344423761 /nfs/dbraw/zinc/42/37/61/344423761.db2.gz VKPPFHFOBACSSZ-JTQLQIEISA-N 0 0 166.268 2.198 10 30 AEEERN C[C@](N)(C#N)CC1CCCCC1 219398764 344423806 /nfs/dbraw/zinc/42/38/06/344423806.db2.gz VKPPFHFOBACSSZ-SNVBAGLBSA-N 0 0 166.268 2.198 10 30 AEEERN CCOC(=O)c1ccc(C#N)c(C)c1 219427340 344424009 /nfs/dbraw/zinc/42/40/09/344424009.db2.gz DGJHWHPNPRSVIA-UHFFFAOYSA-N 0 0 189.214 2.043 10 30 AEEERN CC[C@@H](CC#N)[NH2+]CC1(C)CCC1 219494852 344424453 /nfs/dbraw/zinc/42/44/53/344424453.db2.gz FPFYZQNWONZIQZ-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@H](CC#N)[NH2+]CC1(C)CCC1 219494917 344424533 /nfs/dbraw/zinc/42/45/33/344424533.db2.gz FPFYZQNWONZIQZ-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN CC(C)(C)c1ncc(C#N)c(Cl)n1 219524260 344425148 /nfs/dbraw/zinc/42/51/48/344425148.db2.gz QXIGVTBBAWHCFR-UHFFFAOYSA-N 0 0 195.653 2.299 10 30 AEEERN N#Cc1cnc(Cl)c2c1CCCC2 219647139 344426809 /nfs/dbraw/zinc/42/68/09/344426809.db2.gz KOZYNNWKJBSDAD-UHFFFAOYSA-N 0 0 192.649 2.485 10 30 AEEERN C=C(C)c1cnoc1C 219736434 344427606 /nfs/dbraw/zinc/42/76/06/344427606.db2.gz HOPGGRZSQLLUFB-UHFFFAOYSA-N 0 0 123.155 2.016 10 30 AEEERN C=CCCC([O-])=C([N+]#N)C(=O)OCC 219748937 344427697 /nfs/dbraw/zinc/42/76/97/344427697.db2.gz SUSDGHSPFZWGCU-UHFFFAOYSA-O 0 0 197.214 2.138 10 30 AEEERN CS[C@H](C)C/C=C/C(C)=O 219820886 344428214 /nfs/dbraw/zinc/42/82/14/344428214.db2.gz NMZPARRXIXDSLR-WTSVBCDHSA-N 0 0 158.266 2.273 10 30 AEEERN CCC[C@@H]1CC[C@H]2O[C@H]2C1 219871407 344428734 /nfs/dbraw/zinc/42/87/34/344428734.db2.gz WUKUJFNYTULCOP-HLTSFMKQSA-N 0 0 140.226 2.354 10 30 AEEERN CCNc1nc(Cl)c(C#N)cc1F 219879755 344428761 /nfs/dbraw/zinc/42/87/61/344428761.db2.gz LQQONZIVZCHCEG-UHFFFAOYSA-N 0 0 199.616 2.178 10 30 AEEERN C=C(C)C[C@@H]1CC[C@@H](O)[C@@H]1C 219915405 344429203 /nfs/dbraw/zinc/42/92/03/344429203.db2.gz QUOGFPOLGLEPST-KXUCPTDWSA-N 0 0 154.253 2.360 10 30 AEEERN Cc1cc([N+](=O)[O-])cc(Cl)c1C#N 219946803 344429262 /nfs/dbraw/zinc/42/92/62/344429262.db2.gz SDGHWJRUGYRPPY-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C=C(C)CC/C=C/C(=O)OCC 219990408 344429690 /nfs/dbraw/zinc/42/96/90/344429690.db2.gz PQCRTUOBPKQBNX-SOFGYWHQSA-N 0 0 168.236 2.462 10 30 AEEERN CC[C@H]1C[C@H]1Nc1cnccc1C#N 220009289 344429826 /nfs/dbraw/zinc/42/98/26/344429826.db2.gz VMSMWIWFNJULOV-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN N#Cc1ccncc1C1CCC1 220028641 344429908 /nfs/dbraw/zinc/42/99/08/344429908.db2.gz DYKANTHNOJEWKP-UHFFFAOYSA-N 0 0 158.204 2.221 10 30 AEEERN CC[C@@H]1C[C@@H]1Nc1cnccc1C#N 220009104 344429971 /nfs/dbraw/zinc/42/99/71/344429971.db2.gz VMSMWIWFNJULOV-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@H]1C[C@H]1Nc1cnccc1C#N 220009223 344430015 /nfs/dbraw/zinc/43/00/15/344430015.db2.gz VMSMWIWFNJULOV-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1cnccc1C#N 220009149 344430061 /nfs/dbraw/zinc/43/00/61/344430061.db2.gz VMSMWIWFNJULOV-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CCc1c(F)cc(F)cc1C#N 220310939 344431413 /nfs/dbraw/zinc/43/14/13/344431413.db2.gz YFVAJMBPLYTVBL-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN C#CC(=O)c1cccc(Cl)c1C 220268282 344431600 /nfs/dbraw/zinc/43/16/00/344431600.db2.gz AVQOSQYLZQFNBP-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN C[C@H]1CC(N[C@H](C)C#N)C[C@H](C)C1 220513814 344433406 /nfs/dbraw/zinc/43/34/06/344433406.db2.gz DLIMEHHDSRBCSC-OPRDCNLKSA-N 0 0 180.295 2.313 10 30 AEEERN c1ccc2c(C[C@H]3CO3)c[nH]c2c1 220619409 344433547 /nfs/dbraw/zinc/43/35/47/344433547.db2.gz YNLXMBOBPIHHTP-VIFPVBQESA-N 0 0 173.215 2.109 10 30 AEEERN C/C=C/C(=O)c1ccc(C)o1 220598668 344433862 /nfs/dbraw/zinc/43/38/62/344433862.db2.gz LOMFNDSGEWQKFU-ONEGZZNKSA-N 0 0 150.177 2.347 10 30 AEEERN c1ccc2c(C[C@@H]3CO3)c[nH]c2c1 220619347 344433916 /nfs/dbraw/zinc/43/39/16/344433916.db2.gz YNLXMBOBPIHHTP-SECBINFHSA-N 0 0 173.215 2.109 10 30 AEEERN C=C[C@H]1CC=C[C@H](OC(C)C)O1 220668745 344434224 /nfs/dbraw/zinc/43/42/24/344434224.db2.gz HNUISUTWWISONW-VHSXEESVSA-N 0 0 168.236 2.269 10 30 AEEERN O=CCOc1ccc(Cl)cc1F 220667713 344434431 /nfs/dbraw/zinc/43/44/31/344434431.db2.gz HGQACVIEZUUVKI-UHFFFAOYSA-N 0 0 188.585 2.057 10 30 AEEERN CCC1=CC=C(C(C)(C)C)C(=O)C1=O 220720669 344434603 /nfs/dbraw/zinc/43/46/03/344434603.db2.gz BPWBARVGEVEFQQ-UHFFFAOYSA-N 0 0 192.258 2.447 10 30 AEEERN CC(=O)/C(C)=C/c1ccccn1 220765810 344434940 /nfs/dbraw/zinc/43/49/40/344434940.db2.gz KETGFQOVXIPQQE-BQYQJAHWSA-N 0 0 161.204 2.074 10 30 AEEERN CCN[C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 220713353 344434971 /nfs/dbraw/zinc/43/49/71/344434971.db2.gz KPVPNUJXRHSFGG-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN CCN[C@]1(C#N)CC[C@H](C)[C@@H](C)C1 220713477 344435017 /nfs/dbraw/zinc/43/50/17/344435017.db2.gz KPVPNUJXRHSFGG-GARJFASQSA-N 0 0 180.295 2.314 10 30 AEEERN CC(=O)/C(C)=C\c1ccccn1 220765875 344435037 /nfs/dbraw/zinc/43/50/37/344435037.db2.gz KETGFQOVXIPQQE-FPLPWBNLSA-N 0 0 161.204 2.074 10 30 AEEERN CSC1(/C=C/C(C)=O)CC1 220771071 344435453 /nfs/dbraw/zinc/43/54/53/344435453.db2.gz GATLGEPCPSNXAF-ONEGZZNKSA-N 0 0 156.250 2.027 10 30 AEEERN C=CC(=O)CCC[C@H]1COC(C)(C)O1 220823648 344435770 /nfs/dbraw/zinc/43/57/70/344435770.db2.gz YRHXRUIJTYEQTI-JTQLQIEISA-N 0 0 198.262 2.063 10 30 AEEERN CCC[C@H](S)C[C@@H](C)OC(C)=O 220907310 344436273 /nfs/dbraw/zinc/43/62/73/344436273.db2.gz YCOXSKWSKRERBH-APPZFPTMSA-N 0 0 190.308 2.427 10 30 AEEERN CCC[C@@H](S)C[C@@H](C)OC(C)=O 220907365 344436403 /nfs/dbraw/zinc/43/64/03/344436403.db2.gz YCOXSKWSKRERBH-VXNVDRBHSA-N 0 0 190.308 2.427 10 30 AEEERN CCNc1c(C)cccc1C#N 220981511 344436723 /nfs/dbraw/zinc/43/67/23/344436723.db2.gz QLBLCTLZWOFHAO-UHFFFAOYSA-N 0 0 160.220 2.299 10 30 AEEERN Cc1cccc(C#N)c1NC1CC1 220981079 344437094 /nfs/dbraw/zinc/43/70/94/344437094.db2.gz BMIOWOMXEVRUJG-UHFFFAOYSA-N 0 0 172.231 2.441 10 30 AEEERN CC(C)(C=O)CCOC(C)(C)C 220940607 344437141 /nfs/dbraw/zinc/43/71/41/344437141.db2.gz NMCUPAFDTZQNOT-UHFFFAOYSA-N 0 0 172.268 2.417 10 30 AEEERN C=C[C@@H](C)/C(C)=C/C(=O)OCC 221077922 344437323 /nfs/dbraw/zinc/43/73/23/344437323.db2.gz DJHZADFDEWTECP-KGOFQHAKSA-N 0 0 168.236 2.318 10 30 AEEERN C=C[C@@H](C)/C(C)=C\C(=O)OCC 221077979 344437644 /nfs/dbraw/zinc/43/76/44/344437644.db2.gz DJHZADFDEWTECP-XZZQCUQZSA-N 0 0 168.236 2.318 10 30 AEEERN Nc1ccc(C#CC2CC2)cc1F 221137447 344438130 /nfs/dbraw/zinc/43/81/30/344438130.db2.gz OPGWNKNWWFUNBK-UHFFFAOYSA-N 0 0 175.206 2.169 10 30 AEEERN Cc1ccc(F)cc1[C@H]1CO1 221141571 344438473 /nfs/dbraw/zinc/43/84/73/344438473.db2.gz FHPORINRFLWUQG-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN Cc1ccc(F)cc1[C@@H]1CO1 221141517 344438572 /nfs/dbraw/zinc/43/85/72/344438572.db2.gz FHPORINRFLWUQG-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN C[C@@H]1CCC[C@@H](N[C@H](C)C#N)C1 221215028 344439705 /nfs/dbraw/zinc/43/97/05/344439705.db2.gz MQNPCOJLHZQZKQ-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H]1CCC[C@H](N[C@H](C)C#N)C1 221215089 344439733 /nfs/dbraw/zinc/43/97/33/344439733.db2.gz MQNPCOJLHZQZKQ-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN CCCCC(=O)/C(C)=C\C(=O)OCC 221233003 344439930 /nfs/dbraw/zinc/43/99/30/344439930.db2.gz SMJSRAAFPRUKML-HJWRWDBZSA-N 0 0 198.262 2.255 10 30 AEEERN C[C@H]1CCCC[C@H]1CN[C@H](C)C#N 221218798 344439966 /nfs/dbraw/zinc/43/99/66/344439966.db2.gz TXJVLUBXRVUNKE-AXFHLTTASA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1CCCC[C@@H]1CN[C@H](C)C#N 221218850 344440153 /nfs/dbraw/zinc/44/01/53/344440153.db2.gz TXJVLUBXRVUNKE-HBNTYKKESA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@@H](C)C1 221319271 344441626 /nfs/dbraw/zinc/44/16/26/344441626.db2.gz SUMACCBGXWAKNY-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H](C#N)N1CCC[C@@H](C)C1 221319327 344441837 /nfs/dbraw/zinc/44/18/37/344441837.db2.gz SUMACCBGXWAKNY-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1cc([N+](=O)[O-])cc(C#N)c1C 221325397 344442132 /nfs/dbraw/zinc/44/21/32/344442132.db2.gz YXFPBICFZVMJFS-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 AEEERN CCc1cc(C#N)c(OC)cc1OC 221356026 344442341 /nfs/dbraw/zinc/44/23/41/344442341.db2.gz FXYUCRDPYWTWII-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCOC1CCC(S)CC1 221345887 344442390 /nfs/dbraw/zinc/44/23/90/344442390.db2.gz AWPPXJZGLPDHIY-UHFFFAOYSA-N 0 0 160.282 2.264 10 30 AEEERN C[C@H]1C[C@H](N[C@H](C)C#N)CC[C@H]1C 221397252 344442872 /nfs/dbraw/zinc/44/28/72/344442872.db2.gz QWHCOSQCKNLRKB-LMLFDSFASA-N 0 0 180.295 2.313 10 30 AEEERN C[C@@H](CC=O)[C@H]1CC[C@@H](C)[C@@H](C=O)C1 221592741 344444339 /nfs/dbraw/zinc/44/43/39/344444339.db2.gz WPTXUPNYRLEFLZ-NOOOWODRSA-N 0 0 196.290 2.463 10 30 AEEERN Cc1ccc(C#N)c(C(F)(F)F)n1 221572073 344444388 /nfs/dbraw/zinc/44/43/88/344444388.db2.gz PVONJLXWMJYLDH-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN Cc1cc(C)c(C#N)cc1F 221591408 344444590 /nfs/dbraw/zinc/44/45/90/344444590.db2.gz JWVCOFVLQXCTOE-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN CCc1ncc(C#N)cc1Cl 221607768 344444919 /nfs/dbraw/zinc/44/49/19/344444919.db2.gz RPLJWYNDIOBDCT-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN CCc1cc(F)c(C#N)cc1F 221610380 344444982 /nfs/dbraw/zinc/44/49/82/344444982.db2.gz WRRKZLYGFFUJDE-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CC(=O)SC1CC(C)(CC#N)C1 221863932 344446423 /nfs/dbraw/zinc/44/64/23/344446423.db2.gz UPZKWBRGTGMPPT-UHFFFAOYSA-N 0 0 183.276 2.348 10 30 AEEERN CN/N=C(/C)c1ccccc1Cl 221850173 344446639 /nfs/dbraw/zinc/44/66/39/344446639.db2.gz TXKYVIKHUHWDFQ-GHXNOFRVSA-N 0 0 182.654 2.283 10 30 AEEERN Cc1ccc(C#N)c([N+](=O)[O-])c1C 221832848 344446768 /nfs/dbraw/zinc/44/67/68/344446768.db2.gz XFJFGXVYVBOLPC-UHFFFAOYSA-N 0 0 176.175 2.083 10 30 AEEERN CC[C@@](C)(C=O)c1ccc(C#N)cc1 221907442 344447204 /nfs/dbraw/zinc/44/72/04/344447204.db2.gz IJTIAJKOLWZHES-LBPRGKRZSA-N 0 0 187.242 2.425 10 30 AEEERN CC[C@](C)(C=O)c1ccc(C#N)cc1 221907492 344447208 /nfs/dbraw/zinc/44/72/08/344447208.db2.gz IJTIAJKOLWZHES-GFCCVEGCSA-N 0 0 187.242 2.425 10 30 AEEERN C1CCC2(C1)CC[C@]21CO1 221962172 344447800 /nfs/dbraw/zinc/44/78/00/344447800.db2.gz DMAIANCOPNLTBN-VIFPVBQESA-N 0 0 138.210 2.110 10 30 AEEERN C1CCC2(C1)CC[C@@]21CO1 221962115 344447881 /nfs/dbraw/zinc/44/78/81/344447881.db2.gz DMAIANCOPNLTBN-SECBINFHSA-N 0 0 138.210 2.110 10 30 AEEERN C1CCC2(C1)CC[C@H]1O[C@H]12 221967401 344447890 /nfs/dbraw/zinc/44/78/90/344447890.db2.gz BVNOBFMOHKZLRE-HTQZYQBOSA-N 0 0 138.210 2.108 10 30 AEEERN C1CCC2(C1)CC[C@@H]1O[C@@H]12 221967349 344447979 /nfs/dbraw/zinc/44/79/79/344447979.db2.gz BVNOBFMOHKZLRE-YUMQZZPRSA-N 0 0 138.210 2.108 10 30 AEEERN O=CC[C@@H]1CC2CCC1CC2 222088416 344449059 /nfs/dbraw/zinc/44/90/59/344449059.db2.gz DIJBCVBJBLESHB-UDNWOFFPSA-N 0 0 152.237 2.402 10 30 AEEERN CCC[C@H](C#N)[C@@]1(O)CC[C@@H](C)C1 222201081 344449856 /nfs/dbraw/zinc/44/98/56/344449856.db2.gz GTJCKLFORLNXMH-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)[C@]1(O)CC[C@@H](C)C1 222201192 344449953 /nfs/dbraw/zinc/44/99/53/344449953.db2.gz GTJCKLFORLNXMH-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCN[C@]1(C#N)C[C@@H](C)CC[C@@H]1C 222219669 344450292 /nfs/dbraw/zinc/45/02/92/344450292.db2.gz AUWQIBKFNFOZGS-SRVKXCTJSA-N 0 0 192.306 2.480 10 30 AEEERN C=CCN[C@]1(C#N)C[C@H](C)CC[C@@H]1C 222219714 344450342 /nfs/dbraw/zinc/45/03/42/344450342.db2.gz AUWQIBKFNFOZGS-WOPDTQHZSA-N 0 0 192.306 2.480 10 30 AEEERN CCc1c(C#N)ccc(F)c1F 222214419 344450379 /nfs/dbraw/zinc/45/03/79/344450379.db2.gz IORZUBKTFQHDOK-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN C[C@@H]1C(C=O)=C([O-])c2ccccc21 222264787 344450595 /nfs/dbraw/zinc/45/05/95/344450595.db2.gz PJODDVBKKNTEGF-LOBLAWFCSA-N 0 0 174.199 2.428 10 30 AEEERN C[C@H]1C(C=O)=C([O-])c2ccccc21 222264682 344450727 /nfs/dbraw/zinc/45/07/27/344450727.db2.gz PJODDVBKKNTEGF-LWYMYGMPSA-N 0 0 174.199 2.428 10 30 AEEERN C[C@@H]1CC[C@H](C#N)[C@@H](n2cccn2)C1 222227270 344450810 /nfs/dbraw/zinc/45/08/10/344450810.db2.gz ZPCXMYYDLWXLDM-MXWKQRLJSA-N 0 0 189.262 2.384 10 30 AEEERN C[C@@H]1CC[C@@H](C#N)[C@@H](n2cccn2)C1 222227157 344450818 /nfs/dbraw/zinc/45/08/18/344450818.db2.gz ZPCXMYYDLWXLDM-VWYCJHECSA-N 0 0 189.262 2.384 10 30 AEEERN C#CC[C@]1(O)CCC[C@@H](C)[C@@H]1C 222321274 344451102 /nfs/dbraw/zinc/45/11/02/344451102.db2.gz NMAPVJFXGXFABB-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@]1(O)CCC[C@H](C)[C@@H]1C 222321378 344451190 /nfs/dbraw/zinc/45/11/90/344451190.db2.gz NMAPVJFXGXFABB-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@]1(O)CC[C@H](C)C[C@@H]1C 222328546 344451226 /nfs/dbraw/zinc/45/12/26/344451226.db2.gz LLQHJBIGGHCVDC-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@]1(O)CC[C@@H](C)C[C@@H]1C 222328461 344451289 /nfs/dbraw/zinc/45/12/89/344451289.db2.gz LLQHJBIGGHCVDC-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@@]1(C#N)N(C)C 222369705 344451414 /nfs/dbraw/zinc/45/14/14/344451414.db2.gz PJSCPZPJPNGTKD-VWYCJHECSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@]1(C#N)N(C)C 222369819 344451603 /nfs/dbraw/zinc/45/16/03/344451603.db2.gz PJSCPZPJPNGTKD-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@@]12CO2 222407911 344451995 /nfs/dbraw/zinc/45/19/95/344451995.db2.gz RWFZHDWMQIZFLB-HRDYMLBCSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@]12CO2 222408023 344452088 /nfs/dbraw/zinc/45/20/88/344452088.db2.gz RWFZHDWMQIZFLB-VGMNWLOBSA-N 0 0 140.226 2.212 10 30 AEEERN C=C(CC)C(O)C(=C)CC 222447989 344452289 /nfs/dbraw/zinc/45/22/89/344452289.db2.gz UHHUSCDPYRBURS-UHFFFAOYSA-N 0 0 140.226 2.280 10 30 AEEERN C[C@@H](C=O)/C(Br)=C/Cl 222461423 344452292 /nfs/dbraw/zinc/45/22/92/344452292.db2.gz AWEPCEGIOKTSLW-RTDYNSIBSA-N 0 0 197.459 2.297 10 30 AEEERN C[C@H](C=O)/C(Br)=C/Cl 222461525 344452377 /nfs/dbraw/zinc/45/23/77/344452377.db2.gz AWEPCEGIOKTSLW-PLSQTASKSA-N 0 0 197.459 2.297 10 30 AEEERN C[C@@H](C=O)/C(Cl)=C/Br 222461662 344452443 /nfs/dbraw/zinc/45/24/43/344452443.db2.gz HIRANOVDDMGSJD-RTDYNSIBSA-N 0 0 197.459 2.297 10 30 AEEERN C[C@H](C=O)/C(Cl)=C/Br 222461777 344452647 /nfs/dbraw/zinc/45/26/47/344452647.db2.gz HIRANOVDDMGSJD-PLSQTASKSA-N 0 0 197.459 2.297 10 30 AEEERN C=CCC(=O)O[C@@H](C)C(C)C 222545708 344452948 /nfs/dbraw/zinc/45/29/48/344452948.db2.gz AKLZHJYXBBDKRK-QMMMGPOBSA-N 0 0 156.225 2.150 10 30 AEEERN C=CCC(=O)O[C@H](C)C(C)C 222545645 344453231 /nfs/dbraw/zinc/45/32/31/344453231.db2.gz AKLZHJYXBBDKRK-MRVPVSSYSA-N 0 0 156.225 2.150 10 30 AEEERN Cc1csc([C@H](C)S)n1 222568019 344453598 /nfs/dbraw/zinc/45/35/98/344453598.db2.gz RDTGAKZVVAYJKY-YFKPBYRVSA-N 0 0 159.279 2.442 10 30 AEEERN Cc1csc([C@@H](C)S)n1 222567961 344453618 /nfs/dbraw/zinc/45/36/18/344453618.db2.gz RDTGAKZVVAYJKY-RXMQYKEDSA-N 0 0 159.279 2.442 10 30 AEEERN C=C(C)CCC/C=C/CO 222812046 344454145 /nfs/dbraw/zinc/45/41/45/344454145.db2.gz YGAMDYAHFYRTMD-GQCTYLIASA-N 0 0 140.226 2.281 10 30 AEEERN CC(C)n1ccc(N=[N+]=[N-])n1 222824496 344454333 /nfs/dbraw/zinc/45/43/33/344454333.db2.gz XEXQUSHOHLRAMF-UHFFFAOYSA-N 0 0 151.173 2.406 10 30 AEEERN C=C[C@H](O)c1ncc(Cl)s1 223182014 344458047 /nfs/dbraw/zinc/45/80/47/344458047.db2.gz CEXIDRBLTHIAJC-BYPYZUCNSA-N 0 0 175.640 2.016 10 30 AEEERN C=C[C@@H](O)c1ncc(Cl)s1 223181948 344458255 /nfs/dbraw/zinc/45/82/55/344458255.db2.gz CEXIDRBLTHIAJC-SCSAIBSYSA-N 0 0 175.640 2.016 10 30 AEEERN CC(=O)/C=C/c1ncc(Cl)s1 223275583 344458883 /nfs/dbraw/zinc/45/88/83/344458883.db2.gz DNHKIVQBVKYGIQ-NSCUHMNNSA-N 0 0 187.651 2.399 10 30 AEEERN CCC1=CC(=O)CCCC1 223399891 344459912 /nfs/dbraw/zinc/45/99/12/344459912.db2.gz UWXUUTUKLFMRKF-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CC(C)Nc1cc(Cl)ncc1C#N 223344545 344460084 /nfs/dbraw/zinc/46/00/84/344460084.db2.gz GJDNQPIAPBAOMR-UHFFFAOYSA-N 0 0 195.653 2.427 10 30 AEEERN C#Cc1nc(-c2ccccc2)cn1C 223461851 344460451 /nfs/dbraw/zinc/46/04/51/344460451.db2.gz FKPNPDNHNJBKBG-UHFFFAOYSA-N 0 0 182.226 2.068 10 30 AEEERN C[C@@H]1CC[C@H](C#N)[C@@H](SCCO)C1 223603869 344460894 /nfs/dbraw/zinc/46/08/94/344460894.db2.gz FBNCNDWIFUECEA-BBBLOLIVSA-N 0 0 199.319 2.040 10 30 AEEERN C[C@@H]1CC[C@@H](C#N)[C@@H](SCCO)C1 223603764 344461010 /nfs/dbraw/zinc/46/10/10/344461010.db2.gz FBNCNDWIFUECEA-UTLUCORTSA-N 0 0 199.319 2.040 10 30 AEEERN C=C(C)C1=CC[C@@H](C)C[C@@H]1O 223647462 344461245 /nfs/dbraw/zinc/46/12/45/344461245.db2.gz JOMABYRIMSNAFH-SCZZXKLOSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C1=CC[C@H](C)C[C@H]1O 223647398 344461407 /nfs/dbraw/zinc/46/14/07/344461407.db2.gz JOMABYRIMSNAFH-WCBMZHEXSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C1=CC[C@H](C)C[C@@H]1O 223647514 344461494 /nfs/dbraw/zinc/46/14/94/344461494.db2.gz JOMABYRIMSNAFH-WPRPVWTQSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(C)C1=CC[C@@H](C)C[C@H]1O 223647333 344461586 /nfs/dbraw/zinc/46/15/86/344461586.db2.gz JOMABYRIMSNAFH-PSASIEDQSA-N 0 0 152.237 2.280 10 30 AEEERN CCCC#C/C=C/CCC(=O)OC 223717157 344462592 /nfs/dbraw/zinc/46/25/92/344462592.db2.gz GMNHYHVTMQCMLG-BQYQJAHWSA-N 0 0 180.247 2.299 10 30 AEEERN CCOC(=O)c1cc(C)cc(C#N)c1 223893096 344464079 /nfs/dbraw/zinc/46/40/79/344464079.db2.gz AKENRXODWARMNH-UHFFFAOYSA-N 0 0 189.214 2.043 10 30 AEEERN CC(=O)C=CNCc1cccc(C)c1 223927257 344464335 /nfs/dbraw/zinc/46/43/35/344464335.db2.gz VZIVBBPDFOOJRO-VOTSOKGWSA-N 0 0 189.258 2.187 10 30 AEEERN CCN(CC#N)[C@H]1CCC[C@@H](C)C1 223982858 344464637 /nfs/dbraw/zinc/46/46/37/344464637.db2.gz QPXUDQAUCXIMFA-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN N#C[C@H]1CCCCc2ncsc21 223943999 344464672 /nfs/dbraw/zinc/46/46/72/344464672.db2.gz PKBDMNNSNUVMFQ-SSDOTTSWSA-N 0 0 178.260 2.477 10 30 AEEERN N#C[C@@H]1CCCCc2ncsc21 223943952 344464878 /nfs/dbraw/zinc/46/48/78/344464878.db2.gz PKBDMNNSNUVMFQ-ZETCQYMHSA-N 0 0 178.260 2.477 10 30 AEEERN CCN(CC#N)[C@@H]1CCC[C@@H](C)C1 223982794 344464939 /nfs/dbraw/zinc/46/49/39/344464939.db2.gz QPXUDQAUCXIMFA-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CC(=O)C=CNCc1ccc(C)cc1 224038159 344465372 /nfs/dbraw/zinc/46/53/72/344465372.db2.gz FPROSBLWVJOVDJ-BQYQJAHWSA-N 0 0 189.258 2.187 10 30 AEEERN CC(=O)C=CNCc1ccccc1C 224000726 344465462 /nfs/dbraw/zinc/46/54/62/344465462.db2.gz JVEULOSEAQEHEK-BQYQJAHWSA-N 0 0 189.258 2.187 10 30 AEEERN COc1cc(C)c(C#N)cc1F 224158807 344466462 /nfs/dbraw/zinc/46/64/62/344466462.db2.gz QUQAYKPJMXWFMY-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN CC(C)(O)/C=C/C(=O)c1ccccc1 224191562 344466852 /nfs/dbraw/zinc/46/68/52/344466852.db2.gz QSXOGYJXVDHZNL-CMDGGOBGSA-N 0 0 190.242 2.196 10 30 AEEERN C#C[C@H](C)[C@@H](O)C1CCCCC1 224218813 344467465 /nfs/dbraw/zinc/46/74/65/344467465.db2.gz GAHZVYKRDVCITG-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN CC(=O)/C=C/c1ccc([C@@H](C)O)cc1 224354686 344467836 /nfs/dbraw/zinc/46/78/36/344467836.db2.gz KVKISIJOUQKPLY-HMDXOVGESA-N 0 0 190.242 2.342 10 30 AEEERN CC(=O)/C=C/c1ccc([C@H](C)O)cc1 224354580 344467999 /nfs/dbraw/zinc/46/79/99/344467999.db2.gz KVKISIJOUQKPLY-FSIBCCDJSA-N 0 0 190.242 2.342 10 30 AEEERN O=CC[C@H]1CC(=O)c2ccccc2C1 224338999 344468071 /nfs/dbraw/zinc/46/80/71/344468071.db2.gz PKPXFDKLGDYWBE-SECBINFHSA-N 0 0 188.226 2.021 10 30 AEEERN N#Cc1cnc(Cl)c2c1CSC2 224429450 344469001 /nfs/dbraw/zinc/46/90/01/344469001.db2.gz ZYQDEXMJHWRIRG-UHFFFAOYSA-N 0 0 196.662 2.353 10 30 AEEERN C=C[C@@H](C)[NH2+][C@@H]1COc2ccccc21 224558973 344470344 /nfs/dbraw/zinc/47/03/44/344470344.db2.gz XTLLDJCLKPPOGP-MWLCHTKSSA-N 0 0 189.258 2.284 10 30 AEEERN C=C[C@H](C)[NH2+][C@@H]1COc2ccccc21 224559019 344470351 /nfs/dbraw/zinc/47/03/51/344470351.db2.gz XTLLDJCLKPPOGP-GXSJLCMTSA-N 0 0 189.258 2.284 10 30 AEEERN C=C[C@@H](C)[NH2+][C@H]1COc2ccccc21 224559059 344470406 /nfs/dbraw/zinc/47/04/06/344470406.db2.gz XTLLDJCLKPPOGP-KOLCDFICSA-N 0 0 189.258 2.284 10 30 AEEERN C=C[C@H](C)[NH2+][C@H]1COc2ccccc21 224559108 344470514 /nfs/dbraw/zinc/47/05/14/344470514.db2.gz XTLLDJCLKPPOGP-ONGXEEELSA-N 0 0 189.258 2.284 10 30 AEEERN CC(=O)/C(C)=C/[C@@H]1CCSC1 224688747 344471847 /nfs/dbraw/zinc/47/18/47/344471847.db2.gz JQWWGNWGOVUNJW-IWGCBNPKSA-N 0 0 170.277 2.275 10 30 AEEERN CC(=O)/C(C)=C/[C@H]1CCSC1 224688791 344472076 /nfs/dbraw/zinc/47/20/76/344472076.db2.gz JQWWGNWGOVUNJW-VPIOIWJLSA-N 0 0 170.277 2.275 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)[C@@H]1CCSC1 224716003 344472402 /nfs/dbraw/zinc/47/24/02/344472402.db2.gz JXXOMKSLUHOQOC-KXUCPTDWSA-N 0 0 199.319 2.040 10 30 AEEERN CC[C@H](C#N)N1CCC[C@@H](C)[C@@H]1C 224699942 344472462 /nfs/dbraw/zinc/47/24/62/344472462.db2.gz KYKRVFREDIOXEO-OUAUKWLOSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)[C@@H]1CCSC1 224716089 344472697 /nfs/dbraw/zinc/47/26/97/344472697.db2.gz JXXOMKSLUHOQOC-OPRDCNLKSA-N 0 0 199.319 2.040 10 30 AEEERN CC(=CO)C(=O)c1ccc(F)cc1 224989693 344475577 /nfs/dbraw/zinc/47/55/77/344475577.db2.gz OEWZUWIONIMMAS-SREVYHEPSA-N 0 0 180.178 2.470 10 30 AEEERN N#CC[C@@H]1CC[C@H](c2cccnc2)O1 225100975 344476667 /nfs/dbraw/zinc/47/66/67/344476667.db2.gz SNMQIEPKGNALMO-WDEREUQCSA-N 0 0 188.230 2.215 10 30 AEEERN N#CC[C@H]1CC[C@@H](c2cccnc2)O1 225100870 344476754 /nfs/dbraw/zinc/47/67/54/344476754.db2.gz SNMQIEPKGNALMO-MNOVXSKESA-N 0 0 188.230 2.215 10 30 AEEERN N#CC[C@H]1CC[C@H](c2cccnc2)O1 225100904 344476874 /nfs/dbraw/zinc/47/68/74/344476874.db2.gz SNMQIEPKGNALMO-GHMZBOCLSA-N 0 0 188.230 2.215 10 30 AEEERN N#CC[C@@H]1CC[C@@H](c2cccnc2)O1 225100942 344477050 /nfs/dbraw/zinc/47/70/50/344477050.db2.gz SNMQIEPKGNALMO-QWRGUYRKSA-N 0 0 188.230 2.215 10 30 AEEERN C#CC[C@H](O)[C@@H]1CCC[C@@H](C)C1 225144599 344477328 /nfs/dbraw/zinc/47/73/28/344477328.db2.gz IPLWPVFGVUBNEJ-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C=CC(=O)[C@@H]1CCC[C@H]1C 226790407 344513915 /nfs/dbraw/zinc/51/39/15/344513915.db2.gz JADVAGYTJXBLMS-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN C#CC[C@H](O)[C@H]1CCC[C@@H](C)C1 225144646 344477601 /nfs/dbraw/zinc/47/76/01/344477601.db2.gz IPLWPVFGVUBNEJ-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN O=CCc1csc(Cl)c1 225167674 344478078 /nfs/dbraw/zinc/47/80/78/344478078.db2.gz WRENWMBXZWVSIG-UHFFFAOYSA-N 0 0 160.625 2.143 10 30 AEEERN Cc1cc(C#N)c([N+](=O)[O-])cc1Cl 225276747 344478993 /nfs/dbraw/zinc/47/89/93/344478993.db2.gz MFHOJXKCGBQTSM-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C#C[C@H](O)c1ccc([C@H]2C[C@@H]2C)o1 225269563 344479096 /nfs/dbraw/zinc/47/90/96/344479096.db2.gz QAVHCEWPXGASBY-CIUDSAMLSA-N 0 0 176.215 2.070 10 30 AEEERN C#C[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1 225269525 344479179 /nfs/dbraw/zinc/47/91/79/344479179.db2.gz QAVHCEWPXGASBY-YIZRAAEISA-N 0 0 176.215 2.070 10 30 AEEERN [O-]/[N+](=C\c1ccncc1)c1ccccc1 225336360 344480068 /nfs/dbraw/zinc/48/00/68/344480068.db2.gz OGWNFCNOHZHOAO-UVTDQMKNSA-N 0 0 199.233 2.234 10 30 AEEERN [O-]/[N+](=C\c1ccco1)c1ccccc1 225422320 344481245 /nfs/dbraw/zinc/48/12/45/344481245.db2.gz KCCHTQXPZTYJEK-XFXZXTDPSA-N 0 0 188.206 2.432 10 30 AEEERN C/C=C/C(=O)c1ccoc1 225686564 344484813 /nfs/dbraw/zinc/48/48/13/344484813.db2.gz JQIVYFCIDRJJFE-NSCUHMNNSA-N 0 0 136.150 2.038 10 30 AEEERN CC[C@H](C#N)N1CC[C@@H](C)C[C@@H]1C 225722517 344485290 /nfs/dbraw/zinc/48/52/90/344485290.db2.gz KPXHMIGHQZHEPN-OUAUKWLOSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@H]1C[C@H](C)CCN1[C@H](C)C#N 225722577 344485319 /nfs/dbraw/zinc/48/53/19/344485319.db2.gz DSWAZUJSULBLJJ-KXUCPTDWSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H](C)C[C@@H]1C 225722550 344485379 /nfs/dbraw/zinc/48/53/79/344485379.db2.gz DSWAZUJSULBLJJ-UTLUCORTSA-N 0 0 166.268 2.019 10 30 AEEERN CC[C@H](CO)/N=C(\C)c1ccccc1 226010125 344490174 /nfs/dbraw/zinc/49/01/74/344490174.db2.gz YARSPYLCGVVUAD-GMCKNXKJSA-N 0 0 191.274 2.267 10 30 AEEERN CC[C@@H](CO)/N=C(\C)c1ccccc1 226010109 344490483 /nfs/dbraw/zinc/49/04/83/344490483.db2.gz YARSPYLCGVVUAD-CVCOIXHCSA-N 0 0 191.274 2.267 10 30 AEEERN N#C[C@@]1(Cl)COCc2ccccc21 226026521 344490713 /nfs/dbraw/zinc/49/07/13/344490713.db2.gz BOHZGIQGJVHDLW-SNVBAGLBSA-N 0 0 193.633 2.174 10 30 AEEERN N#C[C@]1(Cl)COCc2ccccc21 226026527 344490757 /nfs/dbraw/zinc/49/07/57/344490757.db2.gz BOHZGIQGJVHDLW-JTQLQIEISA-N 0 0 193.633 2.174 10 30 AEEERN C[C@@H](C#N)N[C@H]1CC[C@@H](C)C[C@@H]1C 226177938 344493840 /nfs/dbraw/zinc/49/38/40/344493840.db2.gz NLAOQIRRHRIFTH-RCWTZXSCSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@@H]1N[C@H](C)C#N 226177945 344493855 /nfs/dbraw/zinc/49/38/55/344493855.db2.gz NLAOQIRRHRIFTH-YTWAJWBKSA-N 0 0 180.295 2.313 10 30 AEEERN Cc1ccc(C#N)cc1OC(F)F 226191885 344494224 /nfs/dbraw/zinc/49/42/24/344494224.db2.gz XNNBZFZHJCQMQM-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN COc1cc(C#N)cc(OC(F)F)c1 226206068 344494512 /nfs/dbraw/zinc/49/45/12/344494512.db2.gz SODWVXQDRCAQBC-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN Cc1ccc(OCCC#N)cc1F 226418896 344502702 /nfs/dbraw/zinc/50/27/02/344502702.db2.gz AZCMBUMHNWIWIW-UHFFFAOYSA-N 0 0 179.194 2.427 10 30 AEEERN C=C(C)CC(=O)[C@@]1([NH3+])CCC[C@H](C)C1 226467502 344503674 /nfs/dbraw/zinc/50/36/74/344503674.db2.gz VBJXQERNLQADTD-CMPLNLGQSA-N 0 0 195.306 2.429 10 30 AEEERN C=C(C)CC(=O)[C@]1([NH3+])CCC[C@H](C)C1 226467508 344503809 /nfs/dbraw/zinc/50/38/09/344503809.db2.gz VBJXQERNLQADTD-JQWIXIFHSA-N 0 0 195.306 2.429 10 30 AEEERN C=C(C)CC(=O)[C@@]1([NH3+])CCC[C@@H](C)C1 226467491 344503869 /nfs/dbraw/zinc/50/38/69/344503869.db2.gz VBJXQERNLQADTD-ZYHUDNBSSA-N 0 0 195.306 2.429 10 30 AEEERN C#CCC(=O)c1ccc(N)c(Cl)c1 226512082 344505144 /nfs/dbraw/zinc/50/51/44/344505144.db2.gz RVXPUZAKGLVKSD-UHFFFAOYSA-N 0 0 193.633 2.128 10 30 AEEERN C[C@@H]1CCC[C@@H](SC[C@@H](N)C#N)C1 226541334 344506209 /nfs/dbraw/zinc/50/62/09/344506209.db2.gz MAXWXUVTPPAHEH-KXUCPTDWSA-N 0 0 198.335 2.149 10 30 AEEERN CC1(C)CCC[C@H]1C(=O)CC#N 226592042 344507657 /nfs/dbraw/zinc/50/76/57/344507657.db2.gz CAKKUPOHPWPHPF-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CCC[C@@H]1C(=O)[C@H](C)C#N 226593251 344507663 /nfs/dbraw/zinc/50/76/63/344507663.db2.gz ZFWCWTZROFDCJB-YIZRAAEISA-N 0 0 165.236 2.151 10 30 AEEERN CC1(C)CCC[C@@H]1C(=O)CC#N 226592036 344507731 /nfs/dbraw/zinc/50/77/31/344507731.db2.gz CAKKUPOHPWPHPF-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CCC[C@H]1C(=O)[C@H](C)C#N 226593239 344507735 /nfs/dbraw/zinc/50/77/35/344507735.db2.gz ZFWCWTZROFDCJB-DJLDLDEBSA-N 0 0 165.236 2.151 10 30 AEEERN CC1(C)CCC[C@H]1C(=O)C(C#N)C#N 226594639 344507781 /nfs/dbraw/zinc/50/77/81/344507781.db2.gz ZSGIQFJRJXMXRO-VIFPVBQESA-N 0 0 190.246 2.045 10 30 AEEERN CC1(C)CCC[C@@H]1C(=O)C(C#N)C#N 226594635 344507805 /nfs/dbraw/zinc/50/78/05/344507805.db2.gz ZSGIQFJRJXMXRO-SECBINFHSA-N 0 0 190.246 2.045 10 30 AEEERN C=CCCNC(=O)[C@H]1CCC[C@H]1C 226623144 344509039 /nfs/dbraw/zinc/50/90/39/344509039.db2.gz SXUOYIGDHUVOLU-ZJUUUORDSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCNC(=O)[C@@H]1CCC[C@H]1C 226623140 344509122 /nfs/dbraw/zinc/50/91/22/344509122.db2.gz SXUOYIGDHUVOLU-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCNC(=O)[C@@H]1CCC[C@@H]1C 226623129 344509187 /nfs/dbraw/zinc/50/91/87/344509187.db2.gz SXUOYIGDHUVOLU-VHSXEESVSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCNC(=O)[C@H]1CCC[C@@H]1C 226623134 344509197 /nfs/dbraw/zinc/50/91/97/344509197.db2.gz SXUOYIGDHUVOLU-UWVGGRQHSA-N 0 0 181.279 2.115 10 30 AEEERN CC#CCC(=O)[C@@H]1CNc2ccccc21 226732070 344511395 /nfs/dbraw/zinc/51/13/95/344511395.db2.gz OYQQVLXPFRCZCQ-LLVKDONJSA-N 0 0 199.253 2.178 10 30 AEEERN C#CCC(=O)[C@H]1CCNc2ccccc21 226776734 344513183 /nfs/dbraw/zinc/51/31/83/344513183.db2.gz IDMWGVJVVYXBRW-NSHDSACASA-N 0 0 199.253 2.178 10 30 AEEERN C#CCC(=O)[C@@H]1CCNc2ccccc21 226776729 344513205 /nfs/dbraw/zinc/51/32/05/344513205.db2.gz IDMWGVJVVYXBRW-LLVKDONJSA-N 0 0 199.253 2.178 10 30 AEEERN C#CCC(=O)[C@H]1CCCC1(C)C 226778582 344513525 /nfs/dbraw/zinc/51/35/25/344513525.db2.gz IOOMIPRTNXBQMU-SECBINFHSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC(=O)[C@H]1CCC[C@H]1C 226780806 344513605 /nfs/dbraw/zinc/51/36/05/344513605.db2.gz FZGAZCSVWVVVTJ-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)[C@@H]1CCC[C@@H]1C 226778535 344513608 /nfs/dbraw/zinc/51/36/08/344513608.db2.gz UUYIARQHFCUAIO-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN C#CCC(=O)[C@H]1CCC[C@@H]1C 226778546 344513677 /nfs/dbraw/zinc/51/36/77/344513677.db2.gz UUYIARQHFCUAIO-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN C#CCC(=O)[C@H]1CCC[C@H]1C 226778566 344513688 /nfs/dbraw/zinc/51/36/88/344513688.db2.gz UUYIARQHFCUAIO-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC(=O)[C@@H]1CCCCC1(C)C 226789375 344513941 /nfs/dbraw/zinc/51/39/41/344513941.db2.gz URIKGSJEDRRGON-VIFPVBQESA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC(=O)[C@H]1CCC[C@@H]1C 226780794 344513760 /nfs/dbraw/zinc/51/37/60/344513760.db2.gz FZGAZCSVWVVVTJ-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)[C@@H]1CCCC1(C)C 226778573 344513770 /nfs/dbraw/zinc/51/37/70/344513770.db2.gz IOOMIPRTNXBQMU-VIFPVBQESA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC(=O)[C@@H]1CCC[C@@H]1C 226780790 344513772 /nfs/dbraw/zinc/51/37/72/344513772.db2.gz FZGAZCSVWVVVTJ-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC(=O)[C@@H]1CCC[C@H]1C 226780800 344513780 /nfs/dbraw/zinc/51/37/80/344513780.db2.gz FZGAZCSVWVVVTJ-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)[C@@H]1CCC[C@H]1C 226778557 344513786 /nfs/dbraw/zinc/51/37/86/344513786.db2.gz UUYIARQHFCUAIO-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC(=O)[C@H]1CCCCC1(C)C 226789383 344513897 /nfs/dbraw/zinc/51/38/97/344513897.db2.gz URIKGSJEDRRGON-SECBINFHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CC(=O)[C@H]1CCCC1(C)C 226789440 344513901 /nfs/dbraw/zinc/51/39/01/344513901.db2.gz CCWFNWGLGFNMQR-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN C=CC(=O)[C@H]1CCC[C@H]1C 226790412 344514057 /nfs/dbraw/zinc/51/40/57/344514057.db2.gz JADVAGYTJXBLMS-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC(=O)[C@H]1CCC[C@@H]1C 226790401 344514060 /nfs/dbraw/zinc/51/40/60/344514060.db2.gz JADVAGYTJXBLMS-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C#CC(=O)[C@@H]1CCCC1(C)C 226789432 344514080 /nfs/dbraw/zinc/51/40/80/344514080.db2.gz CCWFNWGLGFNMQR-QMMMGPOBSA-N 0 0 150.221 2.015 10 30 AEEERN C=CC(=O)[C@@H]1CCC[C@@H]1C 226790391 344514180 /nfs/dbraw/zinc/51/41/80/344514180.db2.gz JADVAGYTJXBLMS-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H]1CCC[C@H]1C(=O)C1=CCCO1 226801884 344514321 /nfs/dbraw/zinc/51/43/21/344514321.db2.gz GLVZVSRSKSEGRF-DTWKUNHWSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1CCC[C@@H]1C(=O)C1=CCCO1 226801858 344514363 /nfs/dbraw/zinc/51/43/63/344514363.db2.gz GLVZVSRSKSEGRF-BDAKNGLRSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1CCC[C@H]1C(=O)C1=CCCO1 226801872 344514421 /nfs/dbraw/zinc/51/44/21/344514421.db2.gz GLVZVSRSKSEGRF-RKDXNWHRSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1CCC[C@@H]1C(=O)C1=CCCO1 226801867 344514530 /nfs/dbraw/zinc/51/45/30/344514530.db2.gz GLVZVSRSKSEGRF-IUCAKERBSA-N 0 0 180.247 2.296 10 30 AEEERN CC#CC[C@H](O)[C@H]1CCC[C@@H]1C 226912097 344516919 /nfs/dbraw/zinc/51/69/19/344516919.db2.gz RWYFOWXWGYCJRJ-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@H](C)[C@H](CC)[C@H](C)O 226912469 344517001 /nfs/dbraw/zinc/51/70/01/344517001.db2.gz GBWULTGRZJQKKJ-CIUDSAMLSA-N 0 0 142.242 2.216 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CCC[C@@H]1C 226924599 344517237 /nfs/dbraw/zinc/51/72/37/344517237.db2.gz PPNRQHJDBWHCJN-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C#CC[C@H](O)[C@H]1CCCC1(C)C 226936052 344517296 /nfs/dbraw/zinc/51/72/96/344517296.db2.gz HQNHIOXRELXPKG-ZJUUUORDSA-N 0 0 166.264 2.197 10 30 AEEERN C#CCC[C@H](O)[C@@H]1CCC[C@@H]1C 226918019 344517320 /nfs/dbraw/zinc/51/73/20/344517320.db2.gz LPSHYDRGYZPEQM-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@H](O)[C@H]1CCCC1(C)C 226922792 344517334 /nfs/dbraw/zinc/51/73/34/344517334.db2.gz QZMGXJXAXUZASC-BDAKNGLRSA-N 0 0 154.253 2.360 10 30 AEEERN C#CC[C@@H](O)[C@H]1CCCC1(C)C 226936049 344517353 /nfs/dbraw/zinc/51/73/53/344517353.db2.gz HQNHIOXRELXPKG-NXEZZACHSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@@H](O)[C@@H]1CCCC1(C)C 226936039 344517421 /nfs/dbraw/zinc/51/74/21/344517421.db2.gz HQNHIOXRELXPKG-VHSXEESVSA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@@H](O)[C@@H]1CCCC1(C)C 226922773 344517451 /nfs/dbraw/zinc/51/74/51/344517451.db2.gz QZMGXJXAXUZASC-DTWKUNHWSA-N 0 0 154.253 2.360 10 30 AEEERN C#CCC[C@H](O)[C@H]1CCC[C@@H]1C 226918029 344517552 /nfs/dbraw/zinc/51/75/52/344517552.db2.gz LPSHYDRGYZPEQM-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C=C[C@@H](O)[C@H]1CCCC1(C)C 226922785 344517553 /nfs/dbraw/zinc/51/75/53/344517553.db2.gz QZMGXJXAXUZASC-RKDXNWHRSA-N 0 0 154.253 2.360 10 30 AEEERN C#CC[C@H](O)[C@@H]1CCCC1(C)C 226936044 344517565 /nfs/dbraw/zinc/51/75/65/344517565.db2.gz HQNHIOXRELXPKG-UWVGGRQHSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@H](O)[C@H]1CCC[C@H](C)C1 226958211 344517873 /nfs/dbraw/zinc/51/78/73/344517873.db2.gz IPLWPVFGVUBNEJ-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@H](O)[C@@H]1CCC[C@H](C)C1 226958220 344517992 /nfs/dbraw/zinc/51/79/92/344517992.db2.gz IPLWPVFGVUBNEJ-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@@H]1C[C@@H]1Nc1ccc(C#N)cn1 227011427 344519098 /nfs/dbraw/zinc/51/90/98/344519098.db2.gz ZLFRJKOGNNKMTE-ZJUUUORDSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1ccc(C#N)cn1 227011432 344519206 /nfs/dbraw/zinc/51/92/06/344519206.db2.gz ZLFRJKOGNNKMTE-UWVGGRQHSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@H]1Nc1ccc(C#N)cn1 227011449 344519221 /nfs/dbraw/zinc/51/92/21/344519221.db2.gz ZLFRJKOGNNKMTE-VHSXEESVSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@H]1Nc1ncccc1C#N 227014650 344519244 /nfs/dbraw/zinc/51/92/44/344519244.db2.gz OBWKVUMAWNRWKK-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1ncccc1C#N 227014633 344519245 /nfs/dbraw/zinc/51/92/45/344519245.db2.gz OBWKVUMAWNRWKK-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@H]1C[C@@H]1Nc1ncccc1C#N 227014625 344519256 /nfs/dbraw/zinc/51/92/56/344519256.db2.gz OBWKVUMAWNRWKK-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN Cc1cccc(OCCC#N)c1F 227197008 344525234 /nfs/dbraw/zinc/52/52/34/344525234.db2.gz FENPKXIIZLSZFU-UHFFFAOYSA-N 0 0 179.194 2.427 10 30 AEEERN C#C[C@H](O)c1ccc([C@H]2C[C@H]2C)o1 227336316 344528666 /nfs/dbraw/zinc/52/86/66/344528666.db2.gz QAVHCEWPXGASBY-VGMNWLOBSA-N 0 0 176.215 2.070 10 30 AEEERN C[C@@H]1CC(=O)/C(=C\N(C)C)[C@H](C)C1 227339840 344528909 /nfs/dbraw/zinc/52/89/09/344528909.db2.gz QYLRTRSGOOBNCE-WQHZVDDGSA-N 0 0 181.279 2.067 10 30 AEEERN CC1(C#N)CCN(C/C=C/Cl)CC1 227351293 344529211 /nfs/dbraw/zinc/52/92/11/344529211.db2.gz HGUXHEDQLYOWKC-GORDUTHDSA-N 0 0 198.697 2.365 10 30 AEEERN C=C[C@]1(O)CC[C@H](C)C[C@@H]1C 227531232 344533359 /nfs/dbraw/zinc/53/33/59/344533359.db2.gz AFQVEQUGKLPDIP-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@]1(O)CC[C@@H](C)C[C@@H]1C 227531223 344533424 /nfs/dbraw/zinc/53/34/24/344533424.db2.gz AFQVEQUGKLPDIP-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@H](C#N)C[NH2+][C@@H]1CCCS[C@@H]1C 227527377 344533452 /nfs/dbraw/zinc/53/34/52/344533452.db2.gz JDYJBDZCFMAKLO-OPRDCNLKSA-N 0 0 198.335 2.020 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@@H](C=O)C1 227524652 344533465 /nfs/dbraw/zinc/53/34/65/344533465.db2.gz INCHVYGEEZMENC-IWSPIJDZSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1CC[C@@H](C)C[C@@H]1C=O 227524661 344533500 /nfs/dbraw/zinc/53/35/00/344533500.db2.gz INCHVYGEEZMENC-HRDYMLBCSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H](C#N)C[NH2+][C@H]1CCCS[C@@H]1C 227527380 344533577 /nfs/dbraw/zinc/53/35/77/344533577.db2.gz JDYJBDZCFMAKLO-BBBLOLIVSA-N 0 0 198.335 2.020 10 30 AEEERN CC#CC[C@H](O)c1ncc(C)cc1C 227562698 344534900 /nfs/dbraw/zinc/53/49/00/344534900.db2.gz JGGWNGUQVVITNQ-NSHDSACASA-N 0 0 189.258 2.145 10 30 AEEERN C=C(C)C(=O)c1ncc(C)cc1C 227561532 344534926 /nfs/dbraw/zinc/53/49/26/344534926.db2.gz WJZVEXYGBWYRQM-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN C#CCC[C@@H](O)c1ncc(C)cc1C 227563314 344535411 /nfs/dbraw/zinc/53/54/11/344535411.db2.gz YQBNFVPFCQDSLW-LLVKDONJSA-N 0 0 189.258 2.145 10 30 AEEERN C=CC[C@H](O)c1ncc(C)cc1C 227562932 344535371 /nfs/dbraw/zinc/53/53/71/344535371.db2.gz MWZHYWYPAIOZKS-JTQLQIEISA-N 0 0 177.247 2.308 10 30 AEEERN C=CC[C@@H](O)c1ncc(C)cc1C 227562927 344535618 /nfs/dbraw/zinc/53/56/18/344535618.db2.gz MWZHYWYPAIOZKS-SNVBAGLBSA-N 0 0 177.247 2.308 10 30 AEEERN N#Cc1cc(F)cc(NC2CC2)c1 227603757 344536503 /nfs/dbraw/zinc/53/65/03/344536503.db2.gz UUFMDZXTJQEEPO-UHFFFAOYSA-N 0 0 176.194 2.272 10 30 AEEERN C=CCNc1cc(F)cc(C#N)c1 227606374 344536511 /nfs/dbraw/zinc/53/65/11/344536511.db2.gz SXJGELQJASDPLH-UHFFFAOYSA-N 0 0 176.194 2.295 10 30 AEEERN N#Cc1cc(F)cc(N2CCCC2)c1 227603608 344536535 /nfs/dbraw/zinc/53/65/35/344536535.db2.gz MOJMEWQWJAHYRG-UHFFFAOYSA-N 0 0 190.221 2.298 10 30 AEEERN CCNc1cc(F)cc(C#N)c1 227603816 344536556 /nfs/dbraw/zinc/53/65/56/344536556.db2.gz WNERXNGDXNZCRJ-UHFFFAOYSA-N 0 0 164.183 2.129 10 30 AEEERN C[C@@H]1C[C@@H]1Nc1cccc(C#N)c1 227616062 344537148 /nfs/dbraw/zinc/53/71/48/344537148.db2.gz XJOPVAGBUDMCFC-KCJUWKMLSA-N 0 0 172.231 2.379 10 30 AEEERN C[C@H]1C[C@H]1Nc1cccc(C#N)c1 227616076 344537203 /nfs/dbraw/zinc/53/72/03/344537203.db2.gz XJOPVAGBUDMCFC-GZMMTYOYSA-N 0 0 172.231 2.379 10 30 AEEERN C[C@H]1C[C@@H]1Nc1cccc(C#N)c1 227616068 344537271 /nfs/dbraw/zinc/53/72/71/344537271.db2.gz XJOPVAGBUDMCFC-KWQFWETISA-N 0 0 172.231 2.379 10 30 AEEERN C[C@@H]1C[C@H]1Nc1cccc(C#N)c1 227616072 344537291 /nfs/dbraw/zinc/53/72/91/344537291.db2.gz XJOPVAGBUDMCFC-LDYMZIIASA-N 0 0 172.231 2.379 10 30 AEEERN C#CC(C)(C)Nc1cccc(C#N)c1 227619211 344537540 /nfs/dbraw/zinc/53/75/40/344537540.db2.gz GZCDNICYGVEZMA-UHFFFAOYSA-N 0 0 184.242 2.382 10 30 AEEERN C#CC[C@H](C)Nc1cccc(C#N)c1 227629477 344540842 /nfs/dbraw/zinc/54/08/42/344540842.db2.gz LEIMKQFRKOMUED-JTQLQIEISA-N 0 0 184.242 2.382 10 30 AEEERN C#CC[C@@H](C)Nc1cccc(C#N)c1 227629474 344540858 /nfs/dbraw/zinc/54/08/58/344540858.db2.gz LEIMKQFRKOMUED-SNVBAGLBSA-N 0 0 184.242 2.382 10 30 AEEERN C#CC(C)(C)Oc1cccc(C#N)c1 227636962 344540963 /nfs/dbraw/zinc/54/09/63/344540963.db2.gz PSROFEGIBSGHEX-UHFFFAOYSA-N 0 0 185.226 2.349 10 30 AEEERN CC(C)Oc1cc(F)cc(C#N)c1 227632934 344541028 /nfs/dbraw/zinc/54/10/28/344541028.db2.gz PLGBCVFYZFUQAU-UHFFFAOYSA-N 0 0 179.194 2.485 10 30 AEEERN C=C(Cl)CNc1cccc(F)n1 227652888 344542830 /nfs/dbraw/zinc/54/28/30/344542830.db2.gz OVQBQISOHZTJCL-UHFFFAOYSA-N 0 0 186.617 2.385 10 30 AEEERN C[C@H]1CC([C@@](C)(O)CC=O)C[C@H](C)C1 227748179 344546019 /nfs/dbraw/zinc/54/60/19/344546019.db2.gz RNZMMIOXUIHBCM-FOGDFJRCSA-N 0 0 198.306 2.399 10 30 AEEERN Cc1sccc1C#CC(C)(C)O 227808004 344548356 /nfs/dbraw/zinc/54/83/56/344548356.db2.gz URKUOEULSGRTQU-UHFFFAOYSA-N 0 0 180.272 2.179 10 30 AEEERN Cc1sccc1C#CCCCO 227807981 344548603 /nfs/dbraw/zinc/54/86/03/344548603.db2.gz YVYCKMYOXQLCOR-UHFFFAOYSA-N 0 0 180.272 2.181 10 30 AEEERN Cc1sccc1CCC=O 227854261 344548844 /nfs/dbraw/zinc/54/88/44/344548844.db2.gz GINPDZDHVGPJGT-UHFFFAOYSA-N 0 0 154.234 2.188 10 30 AEEERN Cc1sccc1C[C@H](C)C=O 227854364 344548971 /nfs/dbraw/zinc/54/89/71/344548971.db2.gz XLFXPRYWTNKTBZ-ZETCQYMHSA-N 0 0 168.261 2.434 10 30 AEEERN Cc1sccc1C[C@@H](C)C=O 227854360 344549006 /nfs/dbraw/zinc/54/90/06/344549006.db2.gz XLFXPRYWTNKTBZ-SSDOTTSWSA-N 0 0 168.261 2.434 10 30 AEEERN C=C[C@H](O)[C@@H]1CCC[C@H](C)C1 228353490 344561196 /nfs/dbraw/zinc/56/11/96/344561196.db2.gz CTEQQHTWMPJOBI-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN CCC(=O)Nc1cccc(C)c1C#N 227864778 344549427 /nfs/dbraw/zinc/54/94/27/344549427.db2.gz GXACANSIOJEAMU-UHFFFAOYSA-N 0 0 188.230 2.215 10 30 AEEERN C[C@H]1C[C@@H]([C@@](C)(O)C=O)CC[C@H]1C 227902011 344549911 /nfs/dbraw/zinc/54/99/11/344549911.db2.gz QAOQYPGTWAOPIJ-RCWTZXSCSA-N 0 0 184.279 2.009 10 30 AEEERN CC[C@@H]1CCCC[C@H]1[C@@](C)(O)C=O 227901393 344549912 /nfs/dbraw/zinc/54/99/12/344549912.db2.gz UJOSXELATLSJHE-MXWKQRLJSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H]1CC([C@@](C)(O)C=O)C[C@H](C)C1 227903751 344549997 /nfs/dbraw/zinc/54/99/97/344549997.db2.gz HQMDNIYQDXIRHB-KKZNHRDASA-N 0 0 184.279 2.009 10 30 AEEERN C[C@H]1CCCCC[C@H]1N[C@H](C)C#N 227921949 344550443 /nfs/dbraw/zinc/55/04/43/344550443.db2.gz YPYRIPGKKGMWML-HBNTYKKESA-N 0 0 180.295 2.457 10 30 AEEERN C#CCCC[C@@H]1CC[C@@H](O)[C@@H]1C 227924666 344550599 /nfs/dbraw/zinc/55/05/99/344550599.db2.gz JIINLOBWVQPBPM-GMTAPVOTSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@H]1CCCCC[C@@H]1N[C@H](C)C#N 227921953 344550640 /nfs/dbraw/zinc/55/06/40/344550640.db2.gz YPYRIPGKKGMWML-AXFHLTTASA-N 0 0 180.295 2.457 10 30 AEEERN Cc1cncc(C2=CC(=O)CC2)c1 227968703 344553407 /nfs/dbraw/zinc/55/34/07/344553407.db2.gz PKRARXJIHGPSIH-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN C=CCNc1cccc(N(C)C)c1 227986283 344553871 /nfs/dbraw/zinc/55/38/71/344553871.db2.gz IYWUVFGAKWLZFE-UHFFFAOYSA-N 0 0 176.263 2.351 10 30 AEEERN C=C(C)[C@](C)(O)C(C)(C)C 227978712 344553902 /nfs/dbraw/zinc/55/39/02/344553902.db2.gz DSCBASJJJPNEAJ-VIFPVBQESA-N 0 0 142.242 2.360 10 30 AEEERN C=C(C)[C@@](C)(O)C(C)(C)C 227978702 344553940 /nfs/dbraw/zinc/55/39/40/344553940.db2.gz DSCBASJJJPNEAJ-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN CC#CCNc1cccc(N(C)C)c1 227988446 344553950 /nfs/dbraw/zinc/55/39/50/344553950.db2.gz GCYCTROLUSPOHV-UHFFFAOYSA-N 0 0 188.274 2.188 10 30 AEEERN C#CCNc1ccc2ncsc2c1 228024150 344555953 /nfs/dbraw/zinc/55/59/53/344555953.db2.gz JVFDFROYVSINPV-UHFFFAOYSA-N 0 0 188.255 2.341 10 30 AEEERN CCCSC1(C#N)CC2(COC2)C1 228058391 344556784 /nfs/dbraw/zinc/55/67/84/344556784.db2.gz YBFGDMQPRWUMMP-UHFFFAOYSA-N 0 0 197.303 2.202 10 30 AEEERN CO[C@]1(C#N)CC[C@H](C)C[C@@H]1C 228086357 344557058 /nfs/dbraw/zinc/55/70/58/344557058.db2.gz SFZMENGABZPUGY-GUBZILKMSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@]1(C#N)CC[C@@H](C)C[C@@H]1C 228086333 344557370 /nfs/dbraw/zinc/55/73/70/344557370.db2.gz SFZMENGABZPUGY-UTLUCORTSA-N 0 0 167.252 2.351 10 30 AEEERN CC(=O)/C=C1\CS[C@@H](C)C1 228124692 344557591 /nfs/dbraw/zinc/55/75/91/344557591.db2.gz KZBRUCQSFVHCDH-UGWYQVJNSA-N 0 0 156.250 2.027 10 30 AEEERN CC[C@H]1C/C(=C/C(C)=O)CCO1 228125118 344557594 /nfs/dbraw/zinc/55/75/94/344557594.db2.gz VVURJPHBDHKROY-ZKXNXJMVSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C=C1/CCC[C@H]1C 228124288 344557609 /nfs/dbraw/zinc/55/76/09/344557609.db2.gz GZCOTGLZNWQXAB-WRDFDADTSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1\CCO[C@@H](C(C)C)C1 228125162 344557693 /nfs/dbraw/zinc/55/76/93/344557693.db2.gz QVDOZYXPQZJKPU-CDCCAWJDSA-N 0 0 182.263 2.337 10 30 AEEERN CC[C@@H]1C/C(=C/C(C)=O)CCO1 228125107 344557821 /nfs/dbraw/zinc/55/78/21/344557821.db2.gz VVURJPHBDHKROY-OLKPEBQYSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C=C1\CS[C@H](C)C1 228124679 344557850 /nfs/dbraw/zinc/55/78/50/344557850.db2.gz KZBRUCQSFVHCDH-KVNNJZLQSA-N 0 0 156.250 2.027 10 30 AEEERN CC(=O)/C=C1/CC[C@@H](C)C1 228124959 344557854 /nfs/dbraw/zinc/55/78/54/344557854.db2.gz GZJZMAPWISKLIM-WRDFDADTSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1/CC[C@H](C)C1 228124971 344557917 /nfs/dbraw/zinc/55/79/17/344557917.db2.gz GZJZMAPWISKLIM-AXDULGOBSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)/C=C1/CCC[C@@H]1C 228124300 344557920 /nfs/dbraw/zinc/55/79/20/344557920.db2.gz GZCOTGLZNWQXAB-AXDULGOBSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@]1(C)C/C(=C/C(C)=O)CCO1 228124362 344557959 /nfs/dbraw/zinc/55/79/59/344557959.db2.gz LORSLRJKNPAYIB-HUYFXPKMSA-N 0 0 182.263 2.481 10 30 AEEERN CC/C(=C\C(C)=O)C1CC1 228125516 344557962 /nfs/dbraw/zinc/55/79/62/344557962.db2.gz NTVSEEGIYARVHE-SOFGYWHQSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H]1C[C@H](C)CCN1C1=CC(=O)CC1 228585058 344564513 /nfs/dbraw/zinc/56/45/13/344564513.db2.gz OMJRDRFZAKUGHE-ZJUUUORDSA-N 0 0 193.290 2.354 10 30 AEEERN C[C@H]1CCN(C2=CC(=O)CC2)[C@@H](C)C1 228585067 344564564 /nfs/dbraw/zinc/56/45/64/344564564.db2.gz OMJRDRFZAKUGHE-UWVGGRQHSA-N 0 0 193.290 2.354 10 30 AEEERN C#CCC[C@H](O)c1cc(C)oc1C 228646941 344565617 /nfs/dbraw/zinc/56/56/17/344565617.db2.gz YTSOLWYHXJJIIL-NSHDSACASA-N 0 0 178.231 2.343 10 30 AEEERN C#CCC[C@@H](O)c1cc(C)oc1C 228646947 344565684 /nfs/dbraw/zinc/56/56/84/344565684.db2.gz YTSOLWYHXJJIIL-LLVKDONJSA-N 0 0 178.231 2.343 10 30 AEEERN C#CCCOc1cc(C#N)ccc1C 228662657 344566159 /nfs/dbraw/zinc/56/61/59/344566159.db2.gz FNHJMHFPZZCTGW-UHFFFAOYSA-N 0 0 185.226 2.269 10 30 AEEERN CC#CC[C@H](NN)[C@H]1CCC[C@@H](C)C1 228783391 344568558 /nfs/dbraw/zinc/56/85/58/344568558.db2.gz VSEMHDOUNIKWCI-WOPDTQHZSA-N 0 0 194.322 2.058 10 30 AEEERN CC#CC[C@H](NN)[C@@H]1CCC[C@@H](C)C1 228783375 344568562 /nfs/dbraw/zinc/56/85/62/344568562.db2.gz VSEMHDOUNIKWCI-UTUOFQBUSA-N 0 0 194.322 2.058 10 30 AEEERN C=C(Br)C[NH2+]C1(C)CC1 228845811 344570686 /nfs/dbraw/zinc/57/06/86/344570686.db2.gz UDROZYSDKZAJBV-UHFFFAOYSA-N 0 0 190.084 2.037 10 30 AEEERN C#CC[C@H](CC)Nc1ccc(F)cn1 228986888 344578362 /nfs/dbraw/zinc/57/83/62/344578362.db2.gz KYULKQYDNTYYDE-JTQLQIEISA-N 0 0 192.237 2.435 10 30 AEEERN C#CC[C@@H](CC)Nc1ccc(F)cn1 228986898 344578400 /nfs/dbraw/zinc/57/84/00/344578400.db2.gz KYULKQYDNTYYDE-SNVBAGLBSA-N 0 0 192.237 2.435 10 30 AEEERN C#CC[C@H](C)Nc1cccc(C)n1 228988407 344578943 /nfs/dbraw/zinc/57/89/43/344578943.db2.gz UMFXVFPCBUYSIW-VIFPVBQESA-N 0 0 174.247 2.214 10 30 AEEERN C#CC[C@H](C)Nc1nc(C)cs1 228990069 344578997 /nfs/dbraw/zinc/57/89/97/344578997.db2.gz HBTYIDHRVYDCPU-ZETCQYMHSA-N 0 0 180.276 2.275 10 30 AEEERN C#CC[C@@H](C)Nc1cccc(C)n1 228988417 344579000 /nfs/dbraw/zinc/57/90/00/344579000.db2.gz UMFXVFPCBUYSIW-SECBINFHSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC[C@H](C)Nc1ncc(F)cc1F 228991014 344579011 /nfs/dbraw/zinc/57/90/11/344579011.db2.gz DBRACBXAPKWUAF-ZETCQYMHSA-N 0 0 196.200 2.184 10 30 AEEERN C#CC[C@@H](C)Nc1nc(C)cs1 228990077 344579024 /nfs/dbraw/zinc/57/90/24/344579024.db2.gz HBTYIDHRVYDCPU-SSDOTTSWSA-N 0 0 180.276 2.275 10 30 AEEERN C#CC[C@@H](C)Nc1ncccc1C 228988533 344579067 /nfs/dbraw/zinc/57/90/67/344579067.db2.gz IALQSBPARKDFBX-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN C#CC[C@@H](C)Nc1ncc(F)cc1F 228991028 344579106 /nfs/dbraw/zinc/57/91/06/344579106.db2.gz DBRACBXAPKWUAF-SSDOTTSWSA-N 0 0 196.200 2.184 10 30 AEEERN C#CC[C@H](C)Nc1ncccc1C 228988521 344579153 /nfs/dbraw/zinc/57/91/53/344579153.db2.gz IALQSBPARKDFBX-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN CC(C)[C@H](C)[S@](=O)CCCC#N 229023090 344579757 /nfs/dbraw/zinc/57/97/57/344579757.db2.gz ADWFBSRVZMFWKN-JOYOIKCWSA-N 0 0 187.308 2.083 10 30 AEEERN CC(C)[C@@H](C)[S@](=O)CCCC#N 229023079 344579887 /nfs/dbraw/zinc/57/98/87/344579887.db2.gz ADWFBSRVZMFWKN-BXKDBHETSA-N 0 0 187.308 2.083 10 30 AEEERN CC(C)[C@H](C)[S@@](=O)CCCC#N 229023068 344579913 /nfs/dbraw/zinc/57/99/13/344579913.db2.gz ADWFBSRVZMFWKN-CABZTGNLSA-N 0 0 187.308 2.083 10 30 AEEERN CC(C)[C@@H](C)[S@@](=O)CCCC#N 229023055 344580059 /nfs/dbraw/zinc/58/00/59/344580059.db2.gz ADWFBSRVZMFWKN-SKDRFNHKSA-N 0 0 187.308 2.083 10 30 AEEERN C#CCOc1ccc2cccnc2c1 229051245 344581046 /nfs/dbraw/zinc/58/10/46/344581046.db2.gz RCLDQFKFHYUAST-UHFFFAOYSA-N 0 0 183.210 2.247 10 30 AEEERN C=C(C)CCc1cnc(N)s1 229086114 344581547 /nfs/dbraw/zinc/58/15/47/344581547.db2.gz PUKZZXRLRZYXHT-UHFFFAOYSA-N 0 0 168.265 2.234 10 30 AEEERN C=C[C@H](C)Nc1cnc(C)c(C)n1 229071386 344581633 /nfs/dbraw/zinc/58/16/33/344581633.db2.gz UXDBKFQIAYAEEM-ZETCQYMHSA-N 0 0 177.251 2.080 10 30 AEEERN C=C[C@@H](C)Nc1cnc(C)c(C)n1 229071370 344581682 /nfs/dbraw/zinc/58/16/82/344581682.db2.gz UXDBKFQIAYAEEM-SSDOTTSWSA-N 0 0 177.251 2.080 10 30 AEEERN C=C(Cl)CNc1cnc(C)c(C)n1 229070655 344581726 /nfs/dbraw/zinc/58/17/26/344581726.db2.gz HZAKNDASQMMPGA-UHFFFAOYSA-N 0 0 197.669 2.258 10 30 AEEERN Cc1ncc(N=[N+]=[N-])nc1C 229108055 344582506 /nfs/dbraw/zinc/58/25/06/344582506.db2.gz KEJDXJWAMNDUKG-UHFFFAOYSA-N 0 0 149.157 2.035 10 30 AEEERN CCOCc1ccc(C#N)cc1C 229152391 344583946 /nfs/dbraw/zinc/58/39/46/344583946.db2.gz CWKRVVGSKIZYOO-UHFFFAOYSA-N 0 0 175.231 2.403 10 30 AEEERN C=C[C@H](C)Nc1nc(C)cnc1C 229242565 344587564 /nfs/dbraw/zinc/58/75/64/344587564.db2.gz OPWSTEWWBPIVAN-ZETCQYMHSA-N 0 0 177.251 2.080 10 30 AEEERN C=C[C@@H](C)Nc1ncccc1C 229241799 344587359 /nfs/dbraw/zinc/58/73/59/344587359.db2.gz MTWQHBSPIPMLKJ-SECBINFHSA-N 0 0 162.236 2.376 10 30 AEEERN C=C[C@@H](C)Nc1nc(C)cnc1C 229242552 344587398 /nfs/dbraw/zinc/58/73/98/344587398.db2.gz OPWSTEWWBPIVAN-SSDOTTSWSA-N 0 0 177.251 2.080 10 30 AEEERN C=C[C@H](C)Nc1ncccc1C 229241804 344587536 /nfs/dbraw/zinc/58/75/36/344587536.db2.gz MTWQHBSPIPMLKJ-VIFPVBQESA-N 0 0 162.236 2.376 10 30 AEEERN CN[C@@H](C#N)c1cccc(Cl)c1F 229244744 344587818 /nfs/dbraw/zinc/58/78/18/344587818.db2.gz DHSAKQCRCNBLLQ-QMMMGPOBSA-N 0 0 198.628 2.263 10 30 AEEERN C=C[C@H](C)Nc1nc(C)cs1 229244503 344587942 /nfs/dbraw/zinc/58/79/42/344587942.db2.gz ZGQNKUMEYZZING-LURJTMIESA-N 0 0 168.265 2.438 10 30 AEEERN C=C[C@@H](C)Nc1nc(C)cs1 229244494 344587966 /nfs/dbraw/zinc/58/79/66/344587966.db2.gz ZGQNKUMEYZZING-ZCFIWIBFSA-N 0 0 168.265 2.438 10 30 AEEERN C=C[C@H](C)Nc1nccs1 229245116 344587969 /nfs/dbraw/zinc/58/79/69/344587969.db2.gz DRSOMPWXHMDRBE-LURJTMIESA-N 0 0 154.238 2.130 10 30 AEEERN C=C[C@H](C)Nc1ncc(F)cc1F 229245396 344587983 /nfs/dbraw/zinc/58/79/83/344587983.db2.gz SZVHHHUGOOQLBW-LURJTMIESA-N 0 0 184.189 2.346 10 30 AEEERN C=C[C@@H](C)Nc1ncc(F)cc1F 229245387 344587986 /nfs/dbraw/zinc/58/79/86/344587986.db2.gz SZVHHHUGOOQLBW-ZCFIWIBFSA-N 0 0 184.189 2.346 10 30 AEEERN CN[C@H](C#N)c1cccc(Cl)c1F 229244749 344588018 /nfs/dbraw/zinc/58/80/18/344588018.db2.gz DHSAKQCRCNBLLQ-MRVPVSSYSA-N 0 0 198.628 2.263 10 30 AEEERN C=C[C@@H](C)Nc1nccs1 229245107 344588034 /nfs/dbraw/zinc/58/80/34/344588034.db2.gz DRSOMPWXHMDRBE-ZCFIWIBFSA-N 0 0 154.238 2.130 10 30 AEEERN N#CC[C@H](O)c1cccc(Cl)c1F 229262577 344588510 /nfs/dbraw/zinc/58/85/10/344588510.db2.gz NYEQSKHNQDXAMO-QMMMGPOBSA-N 0 0 199.612 2.426 10 30 AEEERN N#CC[C@@H](O)c1cccc(Cl)c1F 229262588 344588579 /nfs/dbraw/zinc/58/85/79/344588579.db2.gz NYEQSKHNQDXAMO-MRVPVSSYSA-N 0 0 199.612 2.426 10 30 AEEERN C=CCNc1cc(C#N)cc(Cl)n1 229298511 344589546 /nfs/dbraw/zinc/58/95/46/344589546.db2.gz RZOZOJFWUKCGMF-UHFFFAOYSA-N 0 0 193.637 2.205 10 30 AEEERN C=CCNc1ccnc(Cl)c1 229299147 344589573 /nfs/dbraw/zinc/58/95/73/344589573.db2.gz UIQUJZCVIAXOLR-UHFFFAOYSA-N 0 0 168.627 2.333 10 30 AEEERN C=CCNc1nc(C)c(C)nc1Cl 229298566 344589585 /nfs/dbraw/zinc/58/95/85/344589585.db2.gz IDVDSJGDHFNNGB-UHFFFAOYSA-N 0 0 197.669 2.345 10 30 AEEERN C=CCNc1nc(F)c(F)cc1F 229298733 344589692 /nfs/dbraw/zinc/58/96/92/344589692.db2.gz QUWBKFNTCRBSHP-UHFFFAOYSA-N 0 0 188.152 2.097 10 30 AEEERN C=CCNc1nnc(Cl)c(C)c1C 229298615 344589672 /nfs/dbraw/zinc/58/96/72/344589672.db2.gz FNISXWFBAFFCCS-UHFFFAOYSA-N 0 0 197.669 2.345 10 30 AEEERN C=CCNc1ncnc(Cl)c1C 229298871 344589673 /nfs/dbraw/zinc/58/96/73/344589673.db2.gz JKUWXXFLMDOVNL-UHFFFAOYSA-N 0 0 183.642 2.036 10 30 AEEERN C=CCNc1nc(C)nc(Cl)c1C 229298631 344589783 /nfs/dbraw/zinc/58/97/83/344589783.db2.gz PRAPPGUZYCTVDL-UHFFFAOYSA-N 0 0 197.669 2.345 10 30 AEEERN C#CC(C)(C)Nc1cccc(F)n1 229304087 344590107 /nfs/dbraw/zinc/59/01/07/344590107.db2.gz HNQXDAJNJWIXED-UHFFFAOYSA-N 0 0 178.210 2.044 10 30 AEEERN C#CC(C)(C)Nc1ccnc(F)c1 229303629 344590307 /nfs/dbraw/zinc/59/03/07/344590307.db2.gz YLZRYQCFQUHFGV-UHFFFAOYSA-N 0 0 178.210 2.044 10 30 AEEERN C#CCCNc1cccc(Cl)n1 229302286 344590319 /nfs/dbraw/zinc/59/03/19/344590319.db2.gz ACQVMDXCYWXMMX-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C=C[C@H](C)Nc1cccc(N)c1 229315537 344590615 /nfs/dbraw/zinc/59/06/15/344590615.db2.gz OBYKMKCHSSDVNY-QMMMGPOBSA-N 0 0 162.236 2.255 10 30 AEEERN C=C[C@@H](C)Nc1cc(N)cc(F)c1 229315977 344590628 /nfs/dbraw/zinc/59/06/28/344590628.db2.gz MDAZQIPKIMNJRE-SSDOTTSWSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@H](C)Nc1cc(F)ccc1N 229315684 344590648 /nfs/dbraw/zinc/59/06/48/344590648.db2.gz CMHXLUPABFIHQZ-ZETCQYMHSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@@H](C)Nc1cccc(F)c1N 229315590 344590676 /nfs/dbraw/zinc/59/06/76/344590676.db2.gz PQBHHACDTBXEPD-SSDOTTSWSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@@H](C)Nc1cccc(N)c1 229315528 344590697 /nfs/dbraw/zinc/59/06/97/344590697.db2.gz OBYKMKCHSSDVNY-MRVPVSSYSA-N 0 0 162.236 2.255 10 30 AEEERN C=C[C@@H](C)Nc1ccc(F)cc1N 229314555 344590711 /nfs/dbraw/zinc/59/07/11/344590711.db2.gz RLMYICROVITFIQ-SSDOTTSWSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@H](C)Nc1ccc(F)cc1N 229314566 344590715 /nfs/dbraw/zinc/59/07/15/344590715.db2.gz RLMYICROVITFIQ-ZETCQYMHSA-N 0 0 180.226 2.394 10 30 AEEERN SC[C@H]1CCC2(CCCC2)O1 229315551 344590722 /nfs/dbraw/zinc/59/07/22/344590722.db2.gz SHZZUWHSZOJLID-MRVPVSSYSA-N 0 0 172.293 2.408 10 30 AEEERN C=C[C@H](C)Nc1ccc(N)cc1F 229316726 344590726 /nfs/dbraw/zinc/59/07/26/344590726.db2.gz RWKCRQJSCBYCDB-ZETCQYMHSA-N 0 0 180.226 2.394 10 30 AEEERN C=C(Cl)CNc1ccnc(F)c1 229315498 344590773 /nfs/dbraw/zinc/59/07/73/344590773.db2.gz VEMYEFUSQSHUTL-UHFFFAOYSA-N 0 0 186.617 2.385 10 30 AEEERN C=C[C@@H](C)Nc1nc(Cl)ccc1N 229315300 344590805 /nfs/dbraw/zinc/59/08/05/344590805.db2.gz HEMYBKZOQCCILY-ZCFIWIBFSA-N 0 0 197.669 2.304 10 30 AEEERN C=C[C@@H](C)Nc1ccc(N)cc1F 229316715 344590853 /nfs/dbraw/zinc/59/08/53/344590853.db2.gz RWKCRQJSCBYCDB-SSDOTTSWSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@@H](C)Nc1cc(F)ccc1N 229315674 344590863 /nfs/dbraw/zinc/59/08/63/344590863.db2.gz CMHXLUPABFIHQZ-SSDOTTSWSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@H](C)Nc1nc(Cl)ccc1N 229315310 344590896 /nfs/dbraw/zinc/59/08/96/344590896.db2.gz HEMYBKZOQCCILY-LURJTMIESA-N 0 0 197.669 2.304 10 30 AEEERN C=C[C@@H](C)Nc1ccc(OC)cc1N 229315362 344590916 /nfs/dbraw/zinc/59/09/16/344590916.db2.gz CMLIAILFYHVCHX-MRVPVSSYSA-N 0 0 192.262 2.264 10 30 AEEERN C=C[C@@H](C)Nc1ncc(Cl)cc1N 229314743 344590925 /nfs/dbraw/zinc/59/09/25/344590925.db2.gz CUULDTRTLNTKCD-ZCFIWIBFSA-N 0 0 197.669 2.304 10 30 AEEERN SC[C@@H]1CCC2(CCCC2)O1 229315541 344590928 /nfs/dbraw/zinc/59/09/28/344590928.db2.gz SHZZUWHSZOJLID-QMMMGPOBSA-N 0 0 172.293 2.408 10 30 AEEERN C=C[C@H](C)Nc1cc(N)cc(F)c1 229315986 344590945 /nfs/dbraw/zinc/59/09/45/344590945.db2.gz MDAZQIPKIMNJRE-ZETCQYMHSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@H](C)Nc1ncc(Cl)cc1N 229314756 344590972 /nfs/dbraw/zinc/59/09/72/344590972.db2.gz CUULDTRTLNTKCD-LURJTMIESA-N 0 0 197.669 2.304 10 30 AEEERN C=C[C@H](C)Nc1cccc(F)c1N 229315602 344590974 /nfs/dbraw/zinc/59/09/74/344590974.db2.gz PQBHHACDTBXEPD-ZETCQYMHSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@H](C)Nc1ccc(OC)cc1N 229315350 344591000 /nfs/dbraw/zinc/59/10/00/344591000.db2.gz CMLIAILFYHVCHX-QMMMGPOBSA-N 0 0 192.262 2.264 10 30 AEEERN C=C[C@@H](C)Nc1ncnc(Cl)c1C 229321030 344591184 /nfs/dbraw/zinc/59/11/84/344591184.db2.gz UEYWVIHOSRZGEB-ZCFIWIBFSA-N 0 0 197.669 2.425 10 30 AEEERN C=C[C@H](C)Nc1cc(C)nc(Cl)n1 229319115 344591215 /nfs/dbraw/zinc/59/12/15/344591215.db2.gz OAOMJVILHVXVEP-LURJTMIESA-N 0 0 197.669 2.425 10 30 AEEERN C=C[C@@H](C)Nc1nsnc1Cl 229321542 344591224 /nfs/dbraw/zinc/59/12/24/344591224.db2.gz DROKCPWYMSEICM-SCSAIBSYSA-N 0 0 189.671 2.178 10 30 AEEERN CC#CCNc1ccnc(Cl)c1 229323077 344591233 /nfs/dbraw/zinc/59/12/33/344591233.db2.gz SBXWYLYNQJLPLF-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C=C[C@H](C)Nc1cc(Cl)ncn1 229319774 344591258 /nfs/dbraw/zinc/59/12/58/344591258.db2.gz LBDXCYGOUZEKDY-LURJTMIESA-N 0 0 183.642 2.116 10 30 AEEERN C=C[C@H](C)Nc1nsnc1Cl 229321555 344591265 /nfs/dbraw/zinc/59/12/65/344591265.db2.gz DROKCPWYMSEICM-BYPYZUCNSA-N 0 0 189.671 2.178 10 30 AEEERN C=C[C@@H](C)Nc1nc(Cl)ncc1C 229321652 344591298 /nfs/dbraw/zinc/59/12/98/344591298.db2.gz POFBTJKUPKDFQC-SSDOTTSWSA-N 0 0 197.669 2.425 10 30 AEEERN C=C[C@@H](C)Nc1cc(Cl)ncn1 229319765 344591302 /nfs/dbraw/zinc/59/13/02/344591302.db2.gz LBDXCYGOUZEKDY-ZCFIWIBFSA-N 0 0 183.642 2.116 10 30 AEEERN C=C[C@@H](C)Nc1cc(C)nc(Cl)n1 229319102 344591318 /nfs/dbraw/zinc/59/13/18/344591318.db2.gz OAOMJVILHVXVEP-ZCFIWIBFSA-N 0 0 197.669 2.425 10 30 AEEERN C=C[C@H](C)Nc1ncnc(Cl)c1C 229321039 344591332 /nfs/dbraw/zinc/59/13/32/344591332.db2.gz UEYWVIHOSRZGEB-LURJTMIESA-N 0 0 197.669 2.425 10 30 AEEERN CC#CCNc1cccc(Cl)n1 229322342 344591412 /nfs/dbraw/zinc/59/14/12/344591412.db2.gz VACMZNQNORHAEV-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C=C[C@H](C)Nc1ccnc(F)c1 229320883 344591430 /nfs/dbraw/zinc/59/14/30/344591430.db2.gz RUKKVUKDLFHFNR-ZETCQYMHSA-N 0 0 166.199 2.207 10 30 AEEERN C=C[C@@H](C)Nc1ccnc(F)c1 229320872 344591432 /nfs/dbraw/zinc/59/14/32/344591432.db2.gz RUKKVUKDLFHFNR-SSDOTTSWSA-N 0 0 166.199 2.207 10 30 AEEERN C=C[C@H](C)Nc1nc(Cl)ncc1C 229321661 344591449 /nfs/dbraw/zinc/59/14/49/344591449.db2.gz POFBTJKUPKDFQC-ZETCQYMHSA-N 0 0 197.669 2.425 10 30 AEEERN C=C(C)CNc1cc(C)nc(Cl)n1 229341513 344591717 /nfs/dbraw/zinc/59/17/17/344591717.db2.gz NCYKVNGFMSWGIU-UHFFFAOYSA-N 0 0 197.669 2.426 10 30 AEEERN C#C[C@@H](C)Nc1cccc(Cl)n1 229335760 344591750 /nfs/dbraw/zinc/59/17/50/344591750.db2.gz QFCNPUPDZUVNAM-SSDOTTSWSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@H](C)Nc1cccc(Cl)n1 229335770 344591822 /nfs/dbraw/zinc/59/18/22/344591822.db2.gz QFCNPUPDZUVNAM-ZETCQYMHSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@@H](C)Nc1ccnc(Cl)c1 229337057 344591864 /nfs/dbraw/zinc/59/18/64/344591864.db2.gz GPQVDXBIQHGNJQ-SSDOTTSWSA-N 0 0 180.638 2.169 10 30 AEEERN C#CC[C@@H](C)Nc1ccnc(F)c1 229327429 344591867 /nfs/dbraw/zinc/59/18/67/344591867.db2.gz CGCNCELGYCUUEL-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN CC#CCCNc1ccnc(F)c1 229331223 344591869 /nfs/dbraw/zinc/59/18/69/344591869.db2.gz BNZYCUBNCNERKE-UHFFFAOYSA-N 0 0 178.210 2.046 10 30 AEEERN C#C[C@H](C)Nc1ccnc(Cl)c1 229337072 344591873 /nfs/dbraw/zinc/59/18/73/344591873.db2.gz GPQVDXBIQHGNJQ-ZETCQYMHSA-N 0 0 180.638 2.169 10 30 AEEERN C#CC[C@H](C)Nc1ccnc(F)c1 229327438 344591922 /nfs/dbraw/zinc/59/19/22/344591922.db2.gz CGCNCELGYCUUEL-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN C=CCCNc1nsnc1Cl 229330411 344591927 /nfs/dbraw/zinc/59/19/27/344591927.db2.gz IWUYIMFTGWBOHJ-UHFFFAOYSA-N 0 0 189.671 2.180 10 30 AEEERN C=C(C)CNc1nc(Cl)ncc1C 229342704 344592018 /nfs/dbraw/zinc/59/20/18/344592018.db2.gz GKKGRPUYBXNMBI-UHFFFAOYSA-N 0 0 197.669 2.426 10 30 AEEERN C=C(C)CNc1nccnc1Cl 229342623 344592054 /nfs/dbraw/zinc/59/20/54/344592054.db2.gz LPLAXVPWIXGPEG-UHFFFAOYSA-N 0 0 183.642 2.118 10 30 AEEERN C=C(C)CNc1ncnc(Cl)c1C 229342239 344592126 /nfs/dbraw/zinc/59/21/26/344592126.db2.gz COHWTECBSOOIMG-UHFFFAOYSA-N 0 0 197.669 2.426 10 30 AEEERN C=C(C)CNc1nsnc1Cl 229342590 344592285 /nfs/dbraw/zinc/59/22/85/344592285.db2.gz XDOLBIHCLSSDMK-UHFFFAOYSA-N 0 0 189.671 2.180 10 30 AEEERN C=C(C)CNc1ccnc(F)c1 229342139 344592303 /nfs/dbraw/zinc/59/23/03/344592303.db2.gz PTQQBVAWDPXZKO-UHFFFAOYSA-N 0 0 166.199 2.209 10 30 AEEERN C=C(C)CNc1cc(Cl)ncn1 229341966 344592321 /nfs/dbraw/zinc/59/23/21/344592321.db2.gz KBJBXSLUEUFSPL-UHFFFAOYSA-N 0 0 183.642 2.118 10 30 AEEERN C=C(C)CNc1cccc(F)n1 229342604 344592336 /nfs/dbraw/zinc/59/23/36/344592336.db2.gz FJIPLORKTJILEF-UHFFFAOYSA-N 0 0 166.199 2.209 10 30 AEEERN N#Cc1cc(OCCC2CC2)ccn1 229464336 344596862 /nfs/dbraw/zinc/59/68/62/344596862.db2.gz YXVMPFJASLGVCG-UHFFFAOYSA-N 0 0 188.230 2.132 10 30 AEEERN C#CC(=O)C1(C)CCCCC1 229488911 344597956 /nfs/dbraw/zinc/59/79/56/344597956.db2.gz AFZSQTVVSHXJNM-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN O=C[C@H]1CCC2(CCCCC2)O1 229503163 344598832 /nfs/dbraw/zinc/59/88/32/344598832.db2.gz PZNPOFCPHCPRBV-SECBINFHSA-N 0 0 168.236 2.067 10 30 AEEERN O=C[C@@H]1CCC2(CCCCC2)O1 229503153 344598841 /nfs/dbraw/zinc/59/88/41/344598841.db2.gz PZNPOFCPHCPRBV-VIFPVBQESA-N 0 0 168.236 2.067 10 30 AEEERN COCC(=O)C=C1CCCCC1 229512686 344599453 /nfs/dbraw/zinc/59/94/53/344599453.db2.gz DEAGTHTYRKYHHK-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN C#C[C@@H](C)Nc1ccc(F)cc1OC 229522081 344599931 /nfs/dbraw/zinc/59/99/31/344599931.db2.gz MAJYBPDFHFNBHC-MRVPVSSYSA-N 0 0 193.221 2.268 10 30 AEEERN C#C[C@@H](C)Nc1ccccc1COC 229520632 344600066 /nfs/dbraw/zinc/60/00/66/344600066.db2.gz BCZXTFRKTHSLML-SNVBAGLBSA-N 0 0 189.258 2.267 10 30 AEEERN C#C[C@H](C)Nc1cccc(COC)c1 229520563 344600126 /nfs/dbraw/zinc/60/01/26/344600126.db2.gz XOCALJKCOTYHQG-JTQLQIEISA-N 0 0 189.258 2.267 10 30 AEEERN C#CCCC(=O)C1=CCCC1 229520369 344600137 /nfs/dbraw/zinc/60/01/37/344600137.db2.gz UOLVLNNZBHENAX-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN C#C[C@@H](C)Nc1cccc(COC)c1 229520572 344600160 /nfs/dbraw/zinc/60/01/60/344600160.db2.gz XOCALJKCOTYHQG-SNVBAGLBSA-N 0 0 189.258 2.267 10 30 AEEERN C#C[C@H](C)Nc1ccc(F)cc1OC 229522074 344600182 /nfs/dbraw/zinc/60/01/82/344600182.db2.gz MAJYBPDFHFNBHC-QMMMGPOBSA-N 0 0 193.221 2.268 10 30 AEEERN C=C=CC(=O)C1=CCCCC1 229523181 344600563 /nfs/dbraw/zinc/60/05/63/344600563.db2.gz NNIURXHNZQXAPL-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN C#C[C@@H](CC)NOCc1ccccc1 229535892 344600949 /nfs/dbraw/zinc/60/09/49/344600949.db2.gz DWHKFQFZFFGECV-LBPRGKRZSA-N 0 0 189.258 2.120 10 30 AEEERN C#C[C@H](CC)NOCc1ccccc1 229535899 344601234 /nfs/dbraw/zinc/60/12/34/344601234.db2.gz DWHKFQFZFFGECV-GFCCVEGCSA-N 0 0 189.258 2.120 10 30 AEEERN C#C[C@H](C)Nc1ccsc1 229540147 344601518 /nfs/dbraw/zinc/60/15/18/344601518.db2.gz RQWIIBQGCKXOCN-ZETCQYMHSA-N 0 0 151.234 2.182 10 30 AEEERN C#C[C@@H](CC)Nn1c(C)ccc1C 229540685 344601564 /nfs/dbraw/zinc/60/15/64/344601564.db2.gz RMJQRZIPGGJBOL-NSHDSACASA-N 0 0 176.263 2.060 10 30 AEEERN C#C[C@H](CC)Nn1c(C)ccc1C 229540690 344601651 /nfs/dbraw/zinc/60/16/51/344601651.db2.gz RMJQRZIPGGJBOL-LLVKDONJSA-N 0 0 176.263 2.060 10 30 AEEERN C#C[C@@H](C)Nc1ccsc1 229540138 344601684 /nfs/dbraw/zinc/60/16/84/344601684.db2.gz RQWIIBQGCKXOCN-SSDOTTSWSA-N 0 0 151.234 2.182 10 30 AEEERN C#C[C@H](C)Nc1ccc(C#N)cc1F 229547684 344602058 /nfs/dbraw/zinc/60/20/58/344602058.db2.gz FQDVQRHBEZKGMW-QMMMGPOBSA-N 0 0 188.205 2.131 10 30 AEEERN C=C[C@H](C)Nc1cc(N)cc(Cl)n1 229553118 344602796 /nfs/dbraw/zinc/60/27/96/344602796.db2.gz HOUQUAVGVLKUIM-LURJTMIESA-N 0 0 197.669 2.304 10 30 AEEERN C=C[C@@H](C)Nc1cc(N)cc(Cl)n1 229553108 344602861 /nfs/dbraw/zinc/60/28/61/344602861.db2.gz HOUQUAVGVLKUIM-ZCFIWIBFSA-N 0 0 197.669 2.304 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1occc1C 229556696 344603130 /nfs/dbraw/zinc/60/31/30/344603130.db2.gz KVRKOBVZBLWSLI-IUCAKERBSA-N 0 0 179.219 2.171 10 30 AEEERN Cc1ccoc1[C@H](O)C(C)(C)C#N 229556439 344603182 /nfs/dbraw/zinc/60/31/82/344603182.db2.gz OADGBSKYTWBXEQ-VIFPVBQESA-N 0 0 179.219 2.171 10 30 AEEERN Cc1ccoc1[C@@H](O)C(C)(C)C#N 229556421 344603213 /nfs/dbraw/zinc/60/32/13/344603213.db2.gz OADGBSKYTWBXEQ-SECBINFHSA-N 0 0 179.219 2.171 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1occc1C 229556677 344603223 /nfs/dbraw/zinc/60/32/23/344603223.db2.gz KVRKOBVZBLWSLI-DTWKUNHWSA-N 0 0 179.219 2.171 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1occc1C 229556687 344603236 /nfs/dbraw/zinc/60/32/36/344603236.db2.gz KVRKOBVZBLWSLI-RKDXNWHRSA-N 0 0 179.219 2.171 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1occc1C 229556707 344603368 /nfs/dbraw/zinc/60/33/68/344603368.db2.gz KVRKOBVZBLWSLI-BDAKNGLRSA-N 0 0 179.219 2.171 10 30 AEEERN CC[C@H]1CCC[C@@]1(C#N)NC1CC1 229647276 344608530 /nfs/dbraw/zinc/60/85/30/344608530.db2.gz FBZWXDUIXBERRX-ONGXEEELSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@@H]1CCC[C@]1(C#N)NC1CC1 229647253 344608658 /nfs/dbraw/zinc/60/86/58/344608658.db2.gz FBZWXDUIXBERRX-MWLCHTKSSA-N 0 0 178.279 2.211 10 30 AEEERN C#CCCn1ccc2cc(C=O)ccc21 229642492 344608664 /nfs/dbraw/zinc/60/86/64/344608664.db2.gz WEMWDCYFPGQZDY-UHFFFAOYSA-N 0 0 197.237 2.477 10 30 AEEERN CC[C@@H]1CCC[C@@]1(C#N)NC1CC1 229647268 344608733 /nfs/dbraw/zinc/60/87/33/344608733.db2.gz FBZWXDUIXBERRX-KOLCDFICSA-N 0 0 178.279 2.211 10 30 AEEERN C#CCCn1ccc2ccc(C=O)cc21 229652200 344609122 /nfs/dbraw/zinc/60/91/22/344609122.db2.gz JPJHDZWKKUAIEU-UHFFFAOYSA-N 0 0 197.237 2.477 10 30 AEEERN CC[C@H]1CCC[C@@H]1C#N 229660428 344609150 /nfs/dbraw/zinc/60/91/50/344609150.db2.gz SVSDJZMMKXXTOZ-JGVFFNPUSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@H]1CCC[C@H]1C#N 229660446 344609166 /nfs/dbraw/zinc/60/91/66/344609166.db2.gz SVSDJZMMKXXTOZ-YUMQZZPRSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@@H]1CCC[C@H]1C#N 229660436 344609201 /nfs/dbraw/zinc/60/92/01/344609201.db2.gz SVSDJZMMKXXTOZ-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@@H]1CCC[C@@H]1C#N 229660417 344609312 /nfs/dbraw/zinc/60/93/12/344609312.db2.gz SVSDJZMMKXXTOZ-HTQZYQBOSA-N 0 0 123.199 2.336 10 30 AEEERN C#CCCNc1ccnc(Cl)c1 229726216 344613230 /nfs/dbraw/zinc/61/32/30/344613230.db2.gz OWQLQUKESWMHSA-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C=C(C)[C@](C)(O)CC1CC1 229747689 344613668 /nfs/dbraw/zinc/61/36/68/344613668.db2.gz ALINTPKMHFBQFP-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)[C@@](C)(O)CC1CC1 229747684 344613710 /nfs/dbraw/zinc/61/37/10/344613710.db2.gz ALINTPKMHFBQFP-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C[C@@](Cl)(C#N)CC1CC1 229753032 344614071 /nfs/dbraw/zinc/61/40/71/344614071.db2.gz GSYWTKDPMXKCDR-ZETCQYMHSA-N 0 0 143.617 2.308 10 30 AEEERN Cc1ccc(C#N)cc1OCCC#N 229761666 344615108 /nfs/dbraw/zinc/61/51/08/344615108.db2.gz ZXTYSQVJXLEYOI-UHFFFAOYSA-N 0 0 186.214 2.159 10 30 AEEERN N#CCCc1cccc([N+](=O)[O-])c1F 229799663 344615960 /nfs/dbraw/zinc/61/59/60/344615960.db2.gz GSSXIXQHLKKZSW-UHFFFAOYSA-N 0 0 194.165 2.190 10 30 AEEERN Cc1cc(C)nc(SC[C@H]2CO2)c1 229852897 344618089 /nfs/dbraw/zinc/61/80/89/344618089.db2.gz HFTVHRCSNOYOPO-SECBINFHSA-N 0 0 195.287 2.189 10 30 AEEERN Cc1cc(C)nc(SC[C@@H]2CO2)c1 229852894 344618264 /nfs/dbraw/zinc/61/82/64/344618264.db2.gz HFTVHRCSNOYOPO-VIFPVBQESA-N 0 0 195.287 2.189 10 30 AEEERN C#CCCCNc1ncccc1C 229850943 344618365 /nfs/dbraw/zinc/61/83/65/344618365.db2.gz DYXNCESFHRZTKE-UHFFFAOYSA-N 0 0 174.247 2.215 10 30 AEEERN C[C@@H]([NH3+])C#Cc1sccc1Cl 229945411 344620991 /nfs/dbraw/zinc/62/09/91/344620991.db2.gz IWDUUSQTBSWIJM-ZCFIWIBFSA-N 0 0 185.679 2.100 10 30 AEEERN CC(C)([NH3+])C#Cc1sccc1Cl 229945399 344621039 /nfs/dbraw/zinc/62/10/39/344621039.db2.gz IMHFIZAMXRYAAP-UHFFFAOYSA-N 0 0 199.706 2.490 10 30 AEEERN CC[NH2+]CC#Cc1sccc1Cl 229945350 344621043 /nfs/dbraw/zinc/62/10/43/344621043.db2.gz JDDWWJBCHXILQZ-UHFFFAOYSA-N 0 0 199.706 2.363 10 30 AEEERN Cc1ccc(C#N)cc1OCCF 229950574 344621097 /nfs/dbraw/zinc/62/10/97/344621097.db2.gz PYWXTDKHROWDEP-UHFFFAOYSA-N 0 0 179.194 2.215 10 30 AEEERN C[C@H]([NH3+])C#Cc1sccc1Cl 229945415 344621315 /nfs/dbraw/zinc/62/13/15/344621315.db2.gz IWDUUSQTBSWIJM-LURJTMIESA-N 0 0 185.679 2.100 10 30 AEEERN CCN(C)Cc1cc(F)ccc1C#N 229957979 344621497 /nfs/dbraw/zinc/62/14/97/344621497.db2.gz CMRVWSVTBQTTNA-UHFFFAOYSA-N 0 0 192.237 2.149 10 30 AEEERN C#C[C@H](CC)Nc1ncccc1C 229998608 344622761 /nfs/dbraw/zinc/62/27/61/344622761.db2.gz NJILDYGFTWDENT-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@@H](CC)Nc1ncccc1F 229998240 344622763 /nfs/dbraw/zinc/62/27/63/344622763.db2.gz OYWKBVOSZFUMHV-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN C#C[C@H](CC)Nc1ncc(F)cc1F 230001041 344622769 /nfs/dbraw/zinc/62/27/69/344622769.db2.gz VHPIYCSZBVVRIU-MRVPVSSYSA-N 0 0 196.200 2.184 10 30 AEEERN C#C[C@@H](CC)Nc1ccc(F)cn1 230000313 344622855 /nfs/dbraw/zinc/62/28/55/344622855.db2.gz NAZPGTNJEVOWKU-VIFPVBQESA-N 0 0 178.210 2.044 10 30 AEEERN C#C[C@H](CC)Nc1cc(C)ccn1 230000335 344622937 /nfs/dbraw/zinc/62/29/37/344622937.db2.gz KDUNXZULSHMGIS-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@@H](CC)Nc1nc(C)cs1 229999801 344622949 /nfs/dbraw/zinc/62/29/49/344622949.db2.gz SAWJWLRJXMRGIQ-QMMMGPOBSA-N 0 0 180.276 2.275 10 30 AEEERN C#C[C@@H](CC)Nc1cc(C)ccn1 230000332 344622958 /nfs/dbraw/zinc/62/29/58/344622958.db2.gz KDUNXZULSHMGIS-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@@H](CC)Nc1cccc(C)n1 229997729 344622995 /nfs/dbraw/zinc/62/29/95/344622995.db2.gz GDHLSOWARYWAAY-JTQLQIEISA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@H](CC)Nc1ncccc1F 229998244 344622999 /nfs/dbraw/zinc/62/29/99/344622999.db2.gz OYWKBVOSZFUMHV-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN C#C[C@H](CC)Nc1cccc(C)n1 229997732 344623042 /nfs/dbraw/zinc/62/30/42/344623042.db2.gz GDHLSOWARYWAAY-SNVBAGLBSA-N 0 0 174.247 2.214 10 30 AEEERN C#C[C@H](CCC)Nc1ncccc1F 230002360 344623417 /nfs/dbraw/zinc/62/34/17/344623417.db2.gz SFYDSHRNZZKWCS-SECBINFHSA-N 0 0 192.237 2.435 10 30 AEEERN N#CCNc1cc(F)cc(Cl)c1 230006605 344623536 /nfs/dbraw/zinc/62/35/36/344623536.db2.gz AWOIGTCNFZRLIB-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN C#C[C@@H](CC)Nc1ccnc(F)c1 230020597 344623916 /nfs/dbraw/zinc/62/39/16/344623916.db2.gz MNSWVGUODWRYGD-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN C#C[C@H](CC)Nc1ccnc(F)c1 230020599 344624009 /nfs/dbraw/zinc/62/40/09/344624009.db2.gz MNSWVGUODWRYGD-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN C#C[C@@H](CC)Nc1cccc(F)n1 230020884 344624490 /nfs/dbraw/zinc/62/44/90/344624490.db2.gz YDOURYPWOXIKEM-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN N#Cc1cc(C2CCC2)ccc1N 230029986 344624915 /nfs/dbraw/zinc/62/49/15/344624915.db2.gz KGXQAQRAWDDUQT-UHFFFAOYSA-N 0 0 172.231 2.408 10 30 AEEERN C=C[C@@H](C)Nc1ccnc(Cl)n1 230149167 344626959 /nfs/dbraw/zinc/62/69/59/344626959.db2.gz HMBOSZUBQBBZMY-ZCFIWIBFSA-N 0 0 183.642 2.116 10 30 AEEERN C=C[C@H](C)Nc1ccnc(Cl)n1 230149175 344627157 /nfs/dbraw/zinc/62/71/57/344627157.db2.gz HMBOSZUBQBBZMY-LURJTMIESA-N 0 0 183.642 2.116 10 30 AEEERN CC#CCC1=CC(=O)CCCC1 230164385 344627482 /nfs/dbraw/zinc/62/74/82/344627482.db2.gz YBMUSDGLSADUQD-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN C#CCC1=CC(=O)CCCC1 230164178 344627520 /nfs/dbraw/zinc/62/75/20/344627520.db2.gz DZMBMBSJCUFYLB-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN O=C1C=C(C2CC2)CCCC1 230162536 344627818 /nfs/dbraw/zinc/62/78/18/344627818.db2.gz ZHBAOBDCTVIYKS-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN O=C1C=C(C2CCOCC2)CCCC1 230163717 344627782 /nfs/dbraw/zinc/62/77/82/344627782.db2.gz XPWNILNSXADLHH-UHFFFAOYSA-N 0 0 194.274 2.483 10 30 AEEERN CCN(CC1CCC1)[C@H](C)C#N 230316482 344631026 /nfs/dbraw/zinc/63/10/26/344631026.db2.gz FGVOZBFMPRVKPA-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CC(=O)/C=C/c1cncc(Cl)c1 230448383 344636716 /nfs/dbraw/zinc/63/67/16/344636716.db2.gz GZSFAUMXZFYWMV-NSCUHMNNSA-N 0 0 181.622 2.337 10 30 AEEERN Cc1ccc(F)cc1OC[C@]1(C)CO1 230439019 344636784 /nfs/dbraw/zinc/63/67/84/344636784.db2.gz WBFKLAVOKAKXPF-LLVKDONJSA-N 0 0 196.221 2.302 10 30 AEEERN COc1cccc2c1CC/C(=N\O)C2 230641093 344638175 /nfs/dbraw/zinc/63/81/75/344638175.db2.gz VBDDTBNCOODXFS-FMIVXFBMSA-N 0 0 191.230 2.014 10 30 AEEERN CC(C)C[C@H]1CCC[C@](N)(C#N)C1 230779287 344643086 /nfs/dbraw/zinc/64/30/86/344643086.db2.gz JJPBMJGIIDRVHL-GHMZBOCLSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)C[C@@H]1CCC[C@@](N)(C#N)C1 230779280 344643118 /nfs/dbraw/zinc/64/31/18/344643118.db2.gz JJPBMJGIIDRVHL-QWRGUYRKSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)C[C@H]1CCC[C@@](N)(C#N)C1 230779282 344643321 /nfs/dbraw/zinc/64/33/21/344643321.db2.gz JJPBMJGIIDRVHL-MNOVXSKESA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)C[C@@H]1CCC[C@](N)(C#N)C1 230779285 344643340 /nfs/dbraw/zinc/64/33/40/344643340.db2.gz JJPBMJGIIDRVHL-WDEREUQCSA-N 0 0 180.295 2.444 10 30 AEEERN CC1=CCCN(c2cccnc2C#N)C1 230812303 344643537 /nfs/dbraw/zinc/64/35/37/344643537.db2.gz CMTJWWPWBKPZGP-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN CC1=CCCN(c2ncccc2C#N)C1 230812084 344643968 /nfs/dbraw/zinc/64/39/68/344643968.db2.gz GVLSSHWUGWWEOA-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C=C(C)c1cc(C(F)(F)F)nn1C 230841967 344644404 /nfs/dbraw/zinc/64/44/04/344644404.db2.gz LGCFEBFOKRPCBC-UHFFFAOYSA-N 0 0 190.168 2.472 10 30 AEEERN Cn1nccc1CCC1(C#N)CCC1 230917038 344645184 /nfs/dbraw/zinc/64/51/84/344645184.db2.gz TXYWSUOLYFBSOX-UHFFFAOYSA-N 0 0 189.262 2.047 10 30 AEEERN C=C(C)CNc1ccnc(Cl)n1 230935342 344645561 /nfs/dbraw/zinc/64/55/61/344645561.db2.gz XWABOFWWNGJGDB-UHFFFAOYSA-N 0 0 183.642 2.118 10 30 AEEERN CC[C@@H](C#N)C(=O)NC(C)(CC)CC 230959005 344646288 /nfs/dbraw/zinc/64/62/88/344646288.db2.gz SSAGEHBTNCOGIK-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN CC[C@H](C#N)C(=O)NC(C)(CC)CC 230959008 344646303 /nfs/dbraw/zinc/64/63/03/344646303.db2.gz SSAGEHBTNCOGIK-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN CC(C)[C@@H]1CCC[C@](N)(C#N)C1 231003808 344647212 /nfs/dbraw/zinc/64/72/12/344647212.db2.gz SOWBZENMZWMMCO-NXEZZACHSA-N 0 0 166.268 2.054 10 30 AEEERN CC(C)[C@H]1CCC[C@@](N)(C#N)C1 231003805 344647272 /nfs/dbraw/zinc/64/72/72/344647272.db2.gz SOWBZENMZWMMCO-UWVGGRQHSA-N 0 0 166.268 2.054 10 30 AEEERN CN[C@@]1(C#N)CCC[C@H](C(C)C)C1 231003831 344647285 /nfs/dbraw/zinc/64/72/85/344647285.db2.gz YEZJVHLFWKUGOL-QWRGUYRKSA-N 0 0 180.295 2.314 10 30 AEEERN CN[C@@]1(C#N)CCC[C@@H](C(C)C)C1 231003826 344647292 /nfs/dbraw/zinc/64/72/92/344647292.db2.gz YEZJVHLFWKUGOL-MNOVXSKESA-N 0 0 180.295 2.314 10 30 AEEERN CN[C@]1(C#N)CCC[C@H](C(C)C)C1 231003833 344647308 /nfs/dbraw/zinc/64/73/08/344647308.db2.gz YEZJVHLFWKUGOL-WDEREUQCSA-N 0 0 180.295 2.314 10 30 AEEERN CN[C@]1(C#N)CCC[C@@H](C(C)C)C1 231003828 344647339 /nfs/dbraw/zinc/64/73/39/344647339.db2.gz YEZJVHLFWKUGOL-GHMZBOCLSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H](C#N)N1CCSC(C)(C)CC1 231046492 344647707 /nfs/dbraw/zinc/64/77/07/344647707.db2.gz VRULLGPKXCLRCH-VIFPVBQESA-N 0 0 198.335 2.116 10 30 AEEERN C[C@H](C#N)N1CCSC(C)(C)CC1 231046494 344647788 /nfs/dbraw/zinc/64/77/88/344647788.db2.gz VRULLGPKXCLRCH-SECBINFHSA-N 0 0 198.335 2.116 10 30 AEEERN N#CCOc1cccc2ncccc12 231098276 344648082 /nfs/dbraw/zinc/64/80/82/344648082.db2.gz QZWAFBQMPYQZMH-UHFFFAOYSA-N 0 0 184.198 2.137 10 30 AEEERN CCCNc1c(C#N)cccc1OC 231102835 344648321 /nfs/dbraw/zinc/64/83/21/344648321.db2.gz QTLUQMYXWCUCJK-UHFFFAOYSA-N 0 0 190.246 2.389 10 30 AEEERN C#CC[C@@H](C)Nc1cccc(F)n1 231146512 344648557 /nfs/dbraw/zinc/64/85/57/344648557.db2.gz LVYDCBLJZRSMAS-MRVPVSSYSA-N 0 0 178.210 2.044 10 30 AEEERN C#CC[C@H](C)Nc1cccc(F)n1 231146538 344648725 /nfs/dbraw/zinc/64/87/25/344648725.db2.gz LVYDCBLJZRSMAS-QMMMGPOBSA-N 0 0 178.210 2.044 10 30 AEEERN CC(C)[C@@H](C)SCC#N 231193038 344649570 /nfs/dbraw/zinc/64/95/70/344649570.db2.gz CQLBPOQPUCGMJA-SSDOTTSWSA-N 0 0 143.255 2.288 10 30 AEEERN C=CCCS[C@@H](C)[C@@H](C)O 231190844 344649566 /nfs/dbraw/zinc/64/95/66/344649566.db2.gz FWFHHALIPNJDPF-SFYZADRCSA-N 0 0 160.282 2.065 10 30 AEEERN CC(C)[C@H](C)SCC#N 231193048 344649636 /nfs/dbraw/zinc/64/96/36/344649636.db2.gz CQLBPOQPUCGMJA-ZETCQYMHSA-N 0 0 143.255 2.288 10 30 AEEERN C=CCCS[C@@H](C)[C@H](C)O 231190866 344649654 /nfs/dbraw/zinc/64/96/54/344649654.db2.gz FWFHHALIPNJDPF-YUMQZZPRSA-N 0 0 160.282 2.065 10 30 AEEERN O=CC#CCC1CCCCC1 231279321 344649899 /nfs/dbraw/zinc/64/98/99/344649899.db2.gz YYUBTAGASFDWDA-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN O=C1CCC=C1c1ccco1 231262269 344650050 /nfs/dbraw/zinc/65/00/50/344650050.db2.gz MMCGWCJFEQTKRX-UHFFFAOYSA-N 0 0 148.161 2.026 10 30 AEEERN C=C(C)CCn1cc(C)cn1 231430967 344653491 /nfs/dbraw/zinc/65/34/91/344653491.db2.gz IXJAWVKERSFPPI-UHFFFAOYSA-N 0 0 150.225 2.158 10 30 AEEERN CC(=O)/C=C/c1ccncc1Cl 231529504 344654214 /nfs/dbraw/zinc/65/42/14/344654214.db2.gz AYJMGBLHXFOPRA-NSCUHMNNSA-N 0 0 181.622 2.337 10 30 AEEERN N#CCn1ccc(-c2ccsc2)n1 231565897 344654642 /nfs/dbraw/zinc/65/46/42/344654642.db2.gz XJFILCISQKYDRG-UHFFFAOYSA-N 0 0 189.243 2.135 10 30 AEEERN C=C(CS)Cn1cc(Cl)cn1 231635217 344655768 /nfs/dbraw/zinc/65/57/68/344655768.db2.gz IMPBGZGTXYEZSC-UHFFFAOYSA-N 0 0 188.683 2.023 10 30 AEEERN C=CC(=O)c1cc(C)nc(C)c1 231655889 344655973 /nfs/dbraw/zinc/65/59/73/344655973.db2.gz KEIVCSXLNAPLJN-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN CC#CCC(=O)c1cc(C)nc(C)c1 231656224 344656053 /nfs/dbraw/zinc/65/60/53/344656053.db2.gz KBQGJDPQHCXUMC-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN C=C(C)C(=O)c1cc(C)nc(C)c1 231655418 344656062 /nfs/dbraw/zinc/65/60/62/344656062.db2.gz FAEHPASCJONPNT-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN C#CCCC(=O)c1cc(C)nc(C)c1 231655841 344656099 /nfs/dbraw/zinc/65/60/99/344656099.db2.gz XTUWGPWMGSYCSJ-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN CC(=O)/C(C)=C/c1nc(C)cs1 231745885 344658602 /nfs/dbraw/zinc/65/86/02/344658602.db2.gz MROCGNHCAVQFLS-GQCTYLIASA-N 0 0 181.260 2.444 10 30 AEEERN CC(=O)/C(C)=C/c1ccoc1 231746057 344658492 /nfs/dbraw/zinc/65/84/92/344658492.db2.gz VDWIWEFGUPLEHP-FNORWQNLSA-N 0 0 150.177 2.272 10 30 AEEERN CC(=O)/C(C)=C/c1cccc(O)c1 231745938 344658497 /nfs/dbraw/zinc/65/84/97/344658497.db2.gz JPKRMZRXBMYHJC-SOFGYWHQSA-N 0 0 176.215 2.385 10 30 AEEERN CC(=O)/C(C)=C/c1scnc1C 231745573 344658501 /nfs/dbraw/zinc/65/85/01/344658501.db2.gz XBGVKDIBDKJNHD-GQCTYLIASA-N 0 0 181.260 2.444 10 30 AEEERN CC(=O)/C(C)=C/c1cccn1C 231745615 344658527 /nfs/dbraw/zinc/65/85/27/344658527.db2.gz YRSHBGBSYVIQHV-BQYQJAHWSA-N 0 0 163.220 2.017 10 30 AEEERN CC(=O)/C(C)=C/c1ccn(C)c1 231746078 344658536 /nfs/dbraw/zinc/65/85/36/344658536.db2.gz WLHFGHCCTCGBTC-SOFGYWHQSA-N 0 0 163.220 2.017 10 30 AEEERN CC(=O)/C(C)=C/c1cncs1 231746548 344658544 /nfs/dbraw/zinc/65/85/44/344658544.db2.gz JBLAQNOOGNIWOS-ZZXKWVIFSA-N 0 0 167.233 2.135 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1CC[C@H](C)O1 231745731 344658560 /nfs/dbraw/zinc/65/85/60/344658560.db2.gz UFHZEONIDSPXJE-USOKFJGMSA-N 0 0 168.236 2.089 10 30 AEEERN CC(=O)/C(C)=C/c1ccc(C)nc1 231746110 344658568 /nfs/dbraw/zinc/65/85/68/344658568.db2.gz MXRPPVSLMXPDCI-SOFGYWHQSA-N 0 0 175.231 2.382 10 30 AEEERN CC(=O)/C(C)=C/[C@@H]1CCC=CO1 231746373 344658605 /nfs/dbraw/zinc/65/86/05/344658605.db2.gz HWURWDWGHGHLML-JARNTUPDSA-N 0 0 166.220 2.214 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1CC[C@H](C)O1 231745727 344658611 /nfs/dbraw/zinc/65/86/11/344658611.db2.gz UFHZEONIDSPXJE-NCXBPJTESA-N 0 0 168.236 2.089 10 30 AEEERN CC(=O)/C(C)=C/[C@H]1CCC=CO1 231746376 344658617 /nfs/dbraw/zinc/65/86/17/344658617.db2.gz HWURWDWGHGHLML-QROSGCPLSA-N 0 0 166.220 2.214 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1CC[C@@H](C)O1 231745720 344658625 /nfs/dbraw/zinc/65/86/25/344658625.db2.gz UFHZEONIDSPXJE-KMKZCQIISA-N 0 0 168.236 2.089 10 30 AEEERN CC(=O)/C(C)=C/c1cc[nH]c1 231745844 344658627 /nfs/dbraw/zinc/65/86/27/344658627.db2.gz HMHGPQILOVVOOI-FNORWQNLSA-N 0 0 149.193 2.007 10 30 AEEERN CC(=O)/C(C)=C/c1ccc(C)cn1 231745853 344658660 /nfs/dbraw/zinc/65/86/60/344658660.db2.gz IWWGCTHNKWGYQL-RMKNXTFCSA-N 0 0 175.231 2.382 10 30 AEEERN CC(=O)/C(C)=C/c1c(C)noc1C 231746208 344658676 /nfs/dbraw/zinc/65/86/76/344658676.db2.gz OKDRNTHFSJCJSZ-AATRIKPKSA-N 0 0 179.219 2.284 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1CC[C@@H](C)O1 231745724 344658678 /nfs/dbraw/zinc/65/86/78/344658678.db2.gz UFHZEONIDSPXJE-UIPWFOJPSA-N 0 0 168.236 2.089 10 30 AEEERN CC(=O)/C(C)=C/c1cnccc1C 231745861 344658680 /nfs/dbraw/zinc/65/86/80/344658680.db2.gz RRNGKYXKLSBKRG-RMKNXTFCSA-N 0 0 175.231 2.382 10 30 AEEERN CC(=O)/C(C)=C/c1nccs1 231746553 344658685 /nfs/dbraw/zinc/65/86/85/344658685.db2.gz IZJNKRWUEWKPBF-AATRIKPKSA-N 0 0 167.233 2.135 10 30 AEEERN CC(=O)/C(C)=C/c1cnc(C)s1 231746509 344658693 /nfs/dbraw/zinc/65/86/93/344658693.db2.gz ATXQETCOKXNYHY-GQCTYLIASA-N 0 0 181.260 2.444 10 30 AEEERN CC(=O)/C(C)=C/c1cscn1 231745604 344658699 /nfs/dbraw/zinc/65/86/99/344658699.db2.gz UWAZHVUUMUIFDF-ZZXKWVIFSA-N 0 0 167.233 2.135 10 30 AEEERN CC(=O)/C(C)=C/C1CCC1 231746414 344658702 /nfs/dbraw/zinc/65/87/02/344658702.db2.gz RRTSRYWRXLZUDF-VOTSOKGWSA-N 0 0 138.210 2.322 10 30 AEEERN CC(=O)c1cnc(C(C)(C)C#N)s1 231791539 344661430 /nfs/dbraw/zinc/66/14/30/344661430.db2.gz NXBSZQGESNILFL-UHFFFAOYSA-N 0 0 194.259 2.147 10 30 AEEERN N#CCNc1cc(F)ccc1Cl 231817826 344661519 /nfs/dbraw/zinc/66/15/19/344661519.db2.gz UATHYEOPTHXZKS-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN Cc1cnc(C(C)(C)C#N)s1 231790815 344661639 /nfs/dbraw/zinc/66/16/39/344661639.db2.gz ZVNMQZSLVBAAMH-UHFFFAOYSA-N 0 0 166.249 2.253 10 30 AEEERN CC(=O)c1csc(C(C)(C)C#N)n1 231791545 344661654 /nfs/dbraw/zinc/66/16/54/344661654.db2.gz CNZYGZOCVFFDEQ-UHFFFAOYSA-N 0 0 194.259 2.147 10 30 AEEERN CC=CC(=O)c1cnn2ccccc12 231930782 344664832 /nfs/dbraw/zinc/66/48/32/344664832.db2.gz VMMMHNOOEWEAER-UHFFFAOYSA-N 0 0 186.214 2.093 10 30 AEEERN C=CCC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 231935454 344665267 /nfs/dbraw/zinc/66/52/67/344665267.db2.gz AZZYTKBOBKJYOC-KBIXCLLPSA-N 0 0 182.263 2.191 10 30 AEEERN C=C(C)C[C@H](O)[C@@H]1CC1(C)C 232461401 344677777 /nfs/dbraw/zinc/67/77/77/344677777.db2.gz VUOMOJYXQLKTAT-IUCAKERBSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 231972056 344667637 /nfs/dbraw/zinc/66/76/37/344667637.db2.gz QKXUNISBHGAHIF-XKNYDFJKSA-N 0 0 182.263 2.191 10 30 AEEERN Cc1ccc([C@](C)(O)C=O)cc1Cl 231981626 344668767 /nfs/dbraw/zinc/66/87/67/344668767.db2.gz BDNITRNSHDCZSE-SNVBAGLBSA-N 0 0 198.649 2.055 10 30 AEEERN C[C@H]1CC[C@@H](CC(C)(C)C#N)O1 232059261 344670976 /nfs/dbraw/zinc/67/09/76/344670976.db2.gz XGAGEXKSBSWTCD-IUCAKERBSA-N 0 0 167.252 2.494 10 30 AEEERN C[C@H]1CC[C@H](CC(C)(C)C#N)O1 232059263 344671000 /nfs/dbraw/zinc/67/10/00/344671000.db2.gz XGAGEXKSBSWTCD-DTWKUNHWSA-N 0 0 167.252 2.494 10 30 AEEERN CC#CCC(=O)CC1CCC1 232176291 344672864 /nfs/dbraw/zinc/67/28/64/344672864.db2.gz OTBAIMMIEKLEOB-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN COc1cc(NCC#N)ccc1Cl 232200394 344673310 /nfs/dbraw/zinc/67/33/10/344673310.db2.gz AAXUVWNYTWJSAO-UHFFFAOYSA-N 0 0 196.637 2.284 10 30 AEEERN O=C(CC1CCC1)C1=COCCC1 232177166 344672930 /nfs/dbraw/zinc/67/29/30/344672930.db2.gz HOJNRFYHWKFHEH-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN C[C@H]1C[C@@]1(C#N)c1ccc(N)cc1 232274696 344673311 /nfs/dbraw/zinc/67/33/11/344673311.db2.gz PTBYEGKKRKVWES-KWQFWETISA-N 0 0 172.231 2.070 10 30 AEEERN C[C@@H]1C[C@]1(C#N)c1ccc(N)cc1 232274698 344673296 /nfs/dbraw/zinc/67/32/96/344673296.db2.gz PTBYEGKKRKVWES-LDYMZIIASA-N 0 0 172.231 2.070 10 30 AEEERN C=C(C)[C@H](O)CC1CCC1 232186260 344673307 /nfs/dbraw/zinc/67/33/07/344673307.db2.gz OZZWHXHFFLADLI-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN C[C@H]1C[C@]1(C#N)c1ccc(N)cc1 232274699 344673369 /nfs/dbraw/zinc/67/33/69/344673369.db2.gz PTBYEGKKRKVWES-GZMMTYOYSA-N 0 0 172.231 2.070 10 30 AEEERN CC1CC(C#N)(c2ccc(N)cc2)C1 232274734 344673372 /nfs/dbraw/zinc/67/33/72/344673372.db2.gz RQVIKHRYCAYGGO-UHFFFAOYSA-N 0 0 186.258 2.460 10 30 AEEERN C=C(C)[C@@H](O)CC1CCC1 232186258 344673445 /nfs/dbraw/zinc/67/34/45/344673445.db2.gz OZZWHXHFFLADLI-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C[C@@H]1C[C@@]1(C#N)c1cccc(N)c1 232275041 344673478 /nfs/dbraw/zinc/67/34/78/344673478.db2.gz GVAMEUQBXCLZPR-KCJUWKMLSA-N 0 0 172.231 2.070 10 30 AEEERN C[C@H]1C[C@]1(C#N)c1cccc(N)c1 232275046 344673515 /nfs/dbraw/zinc/67/35/15/344673515.db2.gz GVAMEUQBXCLZPR-GZMMTYOYSA-N 0 0 172.231 2.070 10 30 AEEERN CC[C@H](C#N)Oc1cc(C)cc(O)c1 232397441 344676241 /nfs/dbraw/zinc/67/62/41/344676241.db2.gz KOKYDWJLLFUBPA-SNVBAGLBSA-N 0 0 191.230 2.382 10 30 AEEERN C#CCNc1ccc(O)c(Cl)c1 232392499 344676411 /nfs/dbraw/zinc/67/64/11/344676411.db2.gz FTIPYXDJZMETEL-UHFFFAOYSA-N 0 0 181.622 2.091 10 30 AEEERN CC#CCOc1cc(C)cc(O)c1 232396918 344676460 /nfs/dbraw/zinc/67/64/60/344676460.db2.gz FOYHECUEVXBYIK-UHFFFAOYSA-N 0 0 176.215 2.103 10 30 AEEERN CC[C@@H](C#N)Oc1cc(C)cc(O)c1 232397439 344676519 /nfs/dbraw/zinc/67/65/19/344676519.db2.gz KOKYDWJLLFUBPA-JTQLQIEISA-N 0 0 191.230 2.382 10 30 AEEERN CC#CCCOc1cc(C)cc(O)c1 232398622 344676557 /nfs/dbraw/zinc/67/65/57/344676557.db2.gz XTOMHZIJKRAEDB-UHFFFAOYSA-N 0 0 190.242 2.493 10 30 AEEERN C=CC(=O)c1c[nH]c2ccc(C#N)cc12 232451027 344676807 /nfs/dbraw/zinc/67/68/07/344676807.db2.gz DPPPYPUFYPQFSU-UHFFFAOYSA-N 0 0 196.209 2.408 10 30 AEEERN C=CC(=O)c1c[nH]c2cc(C#N)ccc12 232450993 344676808 /nfs/dbraw/zinc/67/68/08/344676808.db2.gz OVTXMHONTWGGFB-UHFFFAOYSA-N 0 0 196.209 2.408 10 30 AEEERN CC(=O)/C=C/c1ccc(O)c(F)c1 232448776 344676822 /nfs/dbraw/zinc/67/68/22/344676822.db2.gz MUOAQAAHCPSAAQ-NSCUHMNNSA-N 0 0 180.178 2.134 10 30 AEEERN C=CC(=O)[C@H]1CCOC2(CCC2)C1 232450815 344676852 /nfs/dbraw/zinc/67/68/52/344676852.db2.gz VFRGOCUDBUVLJA-VIFPVBQESA-N 0 0 180.247 2.091 10 30 AEEERN CC#CCC[C@@H](O)c1cnc(C)s1 232451878 344677425 /nfs/dbraw/zinc/67/74/25/344677425.db2.gz LVVYMUAFRFXZLH-SECBINFHSA-N 0 0 195.287 2.288 10 30 AEEERN CC#CCC[C@@H](O)c1cccc(N)c1 232451580 344677428 /nfs/dbraw/zinc/67/74/28/344677428.db2.gz FJYDEMILKDKWON-GFCCVEGCSA-N 0 0 189.258 2.106 10 30 AEEERN C=CC(=O)c1cccc2c1OCCC2 232451765 344677430 /nfs/dbraw/zinc/67/74/30/344677430.db2.gz FEQOMKDBLPGVJB-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C=C(C)C[C@H](O)c1cccc(N)c1 232462093 344677759 /nfs/dbraw/zinc/67/77/59/344677759.db2.gz YGIDHPVQFHOMMI-NSHDSACASA-N 0 0 177.247 2.268 10 30 AEEERN C=C(C)C[C@H](O)[C@H]1CC1(C)C 232461557 344677786 /nfs/dbraw/zinc/67/77/86/344677786.db2.gz VUOMOJYXQLKTAT-BDAKNGLRSA-N 0 0 154.253 2.360 10 30 AEEERN CC#CCC[C@H](O)c1cnc(C)s1 232461971 344677842 /nfs/dbraw/zinc/67/78/42/344677842.db2.gz LVVYMUAFRFXZLH-VIFPVBQESA-N 0 0 195.287 2.288 10 30 AEEERN CC#CCC[C@H](O)c1cccc(N)c1 232461845 344677860 /nfs/dbraw/zinc/67/78/60/344677860.db2.gz FJYDEMILKDKWON-LBPRGKRZSA-N 0 0 189.258 2.106 10 30 AEEERN C=C(C)CNc1ncc(N)cc1Cl 232465200 344678039 /nfs/dbraw/zinc/67/80/39/344678039.db2.gz ALJIPGQQAPXCLU-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN C=C(C)CNc1cc(N)c(C#N)s1 232462738 344678141 /nfs/dbraw/zinc/67/81/41/344678141.db2.gz NHVPOQUAECUCCS-UHFFFAOYSA-N 0 0 193.275 2.190 10 30 AEEERN C=C(C)CNc1snc(N)c1C 232465802 344678213 /nfs/dbraw/zinc/67/82/13/344678213.db2.gz XEORHOKIIDYRNW-UHFFFAOYSA-N 0 0 183.280 2.022 10 30 AEEERN C=C(C)CNc1cc(N)cc(Cl)n1 232462804 344678281 /nfs/dbraw/zinc/67/82/81/344678281.db2.gz ZCGIXCPYXDGUGE-UHFFFAOYSA-N 0 0 197.669 2.305 10 30 AEEERN C/C=C/C(=O)CC1CCC1 232471148 344679394 /nfs/dbraw/zinc/67/93/94/344679394.db2.gz YWMZAIYLEQYTNS-DUXPYHPUSA-N 0 0 138.210 2.322 10 30 AEEERN CC=CC(=O)Cc1cccs1 232472998 344679430 /nfs/dbraw/zinc/67/94/30/344679430.db2.gz ZUQGGCDYWHEVEJ-DUXPYHPUSA-N 0 0 166.245 2.436 10 30 AEEERN C#CCn1ccc2c(C#N)cccc21 232481964 344679994 /nfs/dbraw/zinc/67/99/94/344679994.db2.gz WKIJULJVLRCXTJ-UHFFFAOYSA-N 0 0 180.210 2.146 10 30 AEEERN C#Cc1cccc(NC2CC2)c1 232482233 344680022 /nfs/dbraw/zinc/68/00/22/344680022.db2.gz OYDLMUUUQXIKOF-UHFFFAOYSA-N 0 0 157.216 2.242 10 30 AEEERN CC(C)(C)c1noc(CCCC#N)n1 232511831 344680434 /nfs/dbraw/zinc/68/04/34/344680434.db2.gz DHUVRMJAONMCTE-UHFFFAOYSA-N 0 0 193.250 2.213 10 30 AEEERN CC(C)(NC1=CC(=O)CC1)C1CC1 232536649 344681556 /nfs/dbraw/zinc/68/15/56/344681556.db2.gz HPUSELXAWPWYOR-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN CC(C)=CC(=O)Cc1ccco1 232555675 344682281 /nfs/dbraw/zinc/68/22/81/344682281.db2.gz BEINPPODBNNMFW-UHFFFAOYSA-N 0 0 164.204 2.357 10 30 AEEERN CC(C)C1CC(C#N)C1 232555469 344682363 /nfs/dbraw/zinc/68/23/63/344682363.db2.gz XEWVZHYAIOXAFI-UHFFFAOYSA-N 0 0 123.199 2.192 10 30 AEEERN CC(C)CC(=O)C(=O)c1ccccc1 232560579 344682690 /nfs/dbraw/zinc/68/26/90/344682690.db2.gz JKTBMAUEYWVTRN-GFCCVEGCSA-N 0 0 190.242 2.255 10 30 AEEERN C=C(C)[C@@H](O)C1Cc2ccccc2C1 232560345 344682709 /nfs/dbraw/zinc/68/27/09/344682709.db2.gz DUTRMHRGOSHTQV-CYBMUJFWSA-N 0 0 188.270 2.338 10 30 AEEERN CC(C)CC(=O)C(=O)c1ccccc1 232559654 344682729 /nfs/dbraw/zinc/68/27/29/344682729.db2.gz JKTBMAUEYWVTRN-LBPRGKRZSA-N 0 0 190.242 2.255 10 30 AEEERN C=C(C)[C@@H](NN)c1ccoc1Cl 232559709 344682807 /nfs/dbraw/zinc/68/28/07/344682807.db2.gz GTXNLNQQFVIPHZ-SSDOTTSWSA-N 0 0 186.642 2.014 10 30 AEEERN CC(C)=CC(=O)c1cc(C)cnc1N 232561769 344682909 /nfs/dbraw/zinc/68/29/09/344682909.db2.gz AMQABLVDKHWTRQ-UHFFFAOYSA-N 0 0 190.246 2.121 10 30 AEEERN C/C=C/C(=O)c1cc(Cl)cnc1N 232561182 344682924 /nfs/dbraw/zinc/68/29/24/344682924.db2.gz DYYGXIAFYKNNAF-NSCUHMNNSA-N 0 0 196.637 2.076 10 30 AEEERN CC(C)=CC(=O)c1c(Cl)cnn1C 232561495 344682929 /nfs/dbraw/zinc/68/29/29/344682929.db2.gz FYDAGKQJJYBLHG-UHFFFAOYSA-N 0 0 198.653 2.222 10 30 AEEERN C/C=C/C(=O)c1ccc(C)nc1 232561427 344682934 /nfs/dbraw/zinc/68/29/34/344682934.db2.gz QZNNIIRZAWKJMZ-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN CC(C)=CC(=O)c1c(C)ccnc1N 232561444 344682940 /nfs/dbraw/zinc/68/29/40/344682940.db2.gz ZRLSPZXEQGJGPQ-UHFFFAOYSA-N 0 0 190.246 2.121 10 30 AEEERN C/C=C/C(=O)c1cnccc1C 232562777 344682986 /nfs/dbraw/zinc/68/29/86/344682986.db2.gz XSKKWFVRWJOBRJ-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN CC#CC[C@@H](O)c1sc(C)nc1C 232561625 344683090 /nfs/dbraw/zinc/68/30/90/344683090.db2.gz BNRDKOWSWMNTIA-SECBINFHSA-N 0 0 195.287 2.207 10 30 AEEERN C/C=C/C(=O)c1ccc2c(c1)CCO2 232563792 344683280 /nfs/dbraw/zinc/68/32/80/344683280.db2.gz JUFDKSYPJRNAAC-NSCUHMNNSA-N 0 0 188.226 2.380 10 30 AEEERN CC(C)C1CC2(CC(=O)C=CO2)C1 232570204 344683729 /nfs/dbraw/zinc/68/37/29/344683729.db2.gz ZDNVMRWOKRZKQS-UHFFFAOYSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(C)C(=O)C1(O)CCCCCC1 232571575 344683736 /nfs/dbraw/zinc/68/37/36/344683736.db2.gz LEBXFBKAJSFCMS-UHFFFAOYSA-N 0 0 182.263 2.217 10 30 AEEERN C#CCOc1c(F)cccc1C(C)=O 232578434 344683900 /nfs/dbraw/zinc/68/39/00/344683900.db2.gz KNLQOHKSAHIMCH-UHFFFAOYSA-N 0 0 192.189 2.040 10 30 AEEERN C=C(C)C(=O)[C@H]1CC1(C)C 232577631 344683957 /nfs/dbraw/zinc/68/39/57/344683957.db2.gz JWMJTOOVMFPCIE-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@@H]1CC1(C)C 232576656 344684088 /nfs/dbraw/zinc/68/40/88/344684088.db2.gz JWMJTOOVMFPCIE-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)c1cc(Cl)cnc1N 232579061 344684310 /nfs/dbraw/zinc/68/43/10/344684310.db2.gz IZNLGTLSICYQBK-UHFFFAOYSA-N 0 0 196.637 2.076 10 30 AEEERN CC(C)CN[C@@]1(C#N)CCS[C@H]1C 232582021 344684423 /nfs/dbraw/zinc/68/44/23/344684423.db2.gz REJLCEJJVWOFFY-VHSXEESVSA-N 0 0 198.335 2.020 10 30 AEEERN C=C(C)C(=O)c1ccnc(C)c1 232580248 344684461 /nfs/dbraw/zinc/68/44/61/344684461.db2.gz JPGSVYQIAJNZHL-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)C(=O)c1cnc(C)s1 232580534 344684470 /nfs/dbraw/zinc/68/44/70/344684470.db2.gz JSBVUJMVXZGDEB-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN C=C(C)C(=O)c1ncccc1Cl 232580923 344684472 /nfs/dbraw/zinc/68/44/72/344684472.db2.gz AWYIYPVWIWANKR-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN C=C(C)CC1(C(C)=O)CC1 232585865 344684822 /nfs/dbraw/zinc/68/48/22/344684822.db2.gz PLNAJHFQKHZGPQ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)CN[C@]1(C#N)CCS[C@@H]1C 232596046 344685296 /nfs/dbraw/zinc/68/52/96/344685296.db2.gz REJLCEJJVWOFFY-ZJUUUORDSA-N 0 0 198.335 2.020 10 30 AEEERN CC(=O)/C=C(/C)c1cncc(F)c1 232629049 344686222 /nfs/dbraw/zinc/68/62/22/344686222.db2.gz OTNNOCQZTKQQQQ-CLTKARDFSA-N 0 0 179.194 2.213 10 30 AEEERN CC(=O)/C=C/c1ccc(F)c(C#N)c1 232629743 344686229 /nfs/dbraw/zinc/68/62/29/344686229.db2.gz JFASCGDAZUMYCJ-NSCUHMNNSA-N 0 0 189.189 2.300 10 30 AEEERN CC#CCC(=O)[C@@H]1CC1(C)C 232652994 344687023 /nfs/dbraw/zinc/68/70/23/344687023.db2.gz LZTOMLPJHKAQRG-QMMMGPOBSA-N 0 0 150.221 2.015 10 30 AEEERN CC(C)NC1(C#N)CC(C(C)C)C1 232647940 344687075 /nfs/dbraw/zinc/68/70/75/344687075.db2.gz UVZIWXBYELKABQ-UHFFFAOYSA-N 0 0 180.295 2.313 10 30 AEEERN CC=C=CC(=O)C1=CCCCC1 232651666 344687096 /nfs/dbraw/zinc/68/70/96/344687096.db2.gz MRLRWLQPENCERJ-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN CC#CCC(=O)[C@H]1CC1(C)C 232653751 344687171 /nfs/dbraw/zinc/68/71/71/344687171.db2.gz LZTOMLPJHKAQRG-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN CC=C=CC(=O)C1=CCCC1 232651608 344687199 /nfs/dbraw/zinc/68/71/99/344687199.db2.gz GOVYJMYNUUXXDH-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN CC#CCCC(=O)[C@@H]1CC1(C)C 232657869 344687376 /nfs/dbraw/zinc/68/73/76/344687376.db2.gz ZFDKQXWWAUKGOY-VIFPVBQESA-N 0 0 164.248 2.405 10 30 AEEERN CC(C)Nc1ccc(C#N)c(C#N)c1 232670897 344687487 /nfs/dbraw/zinc/68/74/87/344687487.db2.gz WZAMVFSZTJQLGD-UHFFFAOYSA-N 0 0 185.230 2.250 10 30 AEEERN CC#CCCC1(C(C)=O)CC1 232660707 344687397 /nfs/dbraw/zinc/68/73/97/344687397.db2.gz YFWBKQRPHGVECD-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CC=C=CC(=O)c1ncccc1Cl 232655716 344687456 /nfs/dbraw/zinc/68/74/56/344687456.db2.gz YUABXJXMKBIGTH-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN CC=C=CC(=O)c1cnc(C)s1 232655624 344687535 /nfs/dbraw/zinc/68/75/35/344687535.db2.gz JGVCYWZFJBZFTJ-UHFFFAOYSA-N 0 0 179.244 2.048 10 30 AEEERN CC#CCCC(=O)[C@H]1CC1(C)C 232658518 344687536 /nfs/dbraw/zinc/68/75/36/344687536.db2.gz ZFDKQXWWAUKGOY-SECBINFHSA-N 0 0 164.248 2.405 10 30 AEEERN CC=C=CC(=O)c1sc(C)nc1C 232655777 344687539 /nfs/dbraw/zinc/68/75/39/344687539.db2.gz ACHCBKXVFYFLNO-UHFFFAOYSA-N 0 0 193.271 2.356 10 30 AEEERN CC(C)Nc1cc(N)c(C#N)s1 232670200 344687552 /nfs/dbraw/zinc/68/75/52/344687552.db2.gz MUMWIKDKTWXFCK-UHFFFAOYSA-N 0 0 181.264 2.022 10 30 AEEERN CC#CCCC(=O)C=C(C)C 232657135 344687556 /nfs/dbraw/zinc/68/75/56/344687556.db2.gz IYGUZBNXSDMKCR-UHFFFAOYSA-N 0 0 150.221 2.325 10 30 AEEERN CC#CCCC(=O)C1=CCCC1 232656738 344687558 /nfs/dbraw/zinc/68/75/58/344687558.db2.gz SIJHXMGCZXJOKX-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN CC(C)Sc1ncc(C#N)cc1N 232680522 344687899 /nfs/dbraw/zinc/68/78/99/344687899.db2.gz WDKNRGKTCIUMSQ-UHFFFAOYSA-N 0 0 193.275 2.036 10 30 AEEERN C#CCS[C@H](C)C(C)C 232732807 344689177 /nfs/dbraw/zinc/68/91/77/344689177.db2.gz HSYPBYOPVZUXCV-MRVPVSSYSA-N 0 0 142.267 2.397 10 30 AEEERN C#CCS[C@@H](C)C(C)C 232763588 344689374 /nfs/dbraw/zinc/68/93/74/344689374.db2.gz HSYPBYOPVZUXCV-QMMMGPOBSA-N 0 0 142.267 2.397 10 30 AEEERN CC/C(=C/c1ccccc1C#N)CO 232776060 344689851 /nfs/dbraw/zinc/68/98/51/344689851.db2.gz ASVPPHJGFZOBGS-YFHOEESVSA-N 0 0 187.242 2.344 10 30 AEEERN CC/C=C/C(=O)C1CCC1 232785162 344690243 /nfs/dbraw/zinc/69/02/43/344690243.db2.gz GZHAJRFOUVLHHY-XVNBXDOJSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)C(=O)/C=C/CC 232784665 344690326 /nfs/dbraw/zinc/69/03/26/344690326.db2.gz GHIMWWXEXIYAIJ-AATRIKPKSA-N 0 0 124.183 2.098 10 30 AEEERN CC1(C)C[C@@H]1C(=O)C1=COCCC1 232792150 344690720 /nfs/dbraw/zinc/69/07/20/344690720.db2.gz GRUSOLTUPCHYQP-SECBINFHSA-N 0 0 180.247 2.296 10 30 AEEERN CC=C=CC(=O)C(=CC)CC 232794560 344690734 /nfs/dbraw/zinc/69/07/34/344690734.db2.gz GFDMNZIMIYPPFQ-WEVVVXLNSA-N 0 0 150.221 2.325 10 30 AEEERN C#CCCC(=O)[C@H]1CC1(C)C 232793247 344690779 /nfs/dbraw/zinc/69/07/79/344690779.db2.gz LOXBKSPSPWKGHE-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN C=CCC(=O)[C@H]1CC1(C)C 232793195 344690876 /nfs/dbraw/zinc/69/08/76/344690876.db2.gz AGNTWFSOHWOSFF-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)/C(=C/C)CC 232793544 344690943 /nfs/dbraw/zinc/69/09/43/344690943.db2.gz PPVNZICFEQUNOV-VMPITWQZSA-N 0 0 138.210 2.488 10 30 AEEERN C/C=C(\CC)C(=O)C1CC1 232794019 344690946 /nfs/dbraw/zinc/69/09/46/344690946.db2.gz OVBYLKHLZKQQAV-XVNBXDOJSA-N 0 0 138.210 2.322 10 30 AEEERN CC1(C)C[C@@H]1C(=O)C1=CCCCO1 232792042 344691004 /nfs/dbraw/zinc/69/10/04/344691004.db2.gz CZNLFXMFNPQMME-MRVPVSSYSA-N 0 0 180.247 2.296 10 30 AEEERN CC/C=C/C(=O)c1ccco1 232802340 344691413 /nfs/dbraw/zinc/69/14/13/344691413.db2.gz CWLCNXIURIRVOR-HWKANZROSA-N 0 0 150.177 2.429 10 30 AEEERN CC/C=C/C(=O)c1c(Cl)cnn1C 232798059 344691479 /nfs/dbraw/zinc/69/14/79/344691479.db2.gz CJFJKQFCPHYIMS-SNAWJCMRSA-N 0 0 198.653 2.222 10 30 AEEERN CC1(C#CC#N)CCCCC1 232804809 344691798 /nfs/dbraw/zinc/69/17/98/344691798.db2.gz BLBIVCZOVZJLEO-UHFFFAOYSA-N 0 0 147.221 2.484 10 30 AEEERN CC1(C(=O)C(C#N)C#N)CCCCC1 232805204 344691847 /nfs/dbraw/zinc/69/18/47/344691847.db2.gz UPLZFXPYJKKSHH-UHFFFAOYSA-N 0 0 190.246 2.189 10 30 AEEERN CC/C=C/C(=O)c1ccoc1 232802465 344691953 /nfs/dbraw/zinc/69/19/53/344691953.db2.gz QLGTYXYKWGEPTA-ONEGZZNKSA-N 0 0 150.177 2.429 10 30 AEEERN C=CCC(=O)C1(O)CCC(C)CC1 232823210 344693152 /nfs/dbraw/zinc/69/31/52/344693152.db2.gz RCEDNUVEEXQQRN-UHFFFAOYSA-N 0 0 182.263 2.073 10 30 AEEERN CC(=O)/C(C)=C\c1cnn(C(C)C)c1 232822597 344693287 /nfs/dbraw/zinc/69/32/87/344693287.db2.gz ICCPRGBONCZXJN-UITAMQMPSA-N 0 0 192.262 2.456 10 30 AEEERN C=C(C)CC(=O)C1(O)CCC(C)CC1 232823166 344693311 /nfs/dbraw/zinc/69/33/11/344693311.db2.gz BLADWXIFXKTMNB-UHFFFAOYSA-N 0 0 196.290 2.463 10 30 AEEERN CC1CC(C#N)(NC2CCCC2)C1 232827043 344693842 /nfs/dbraw/zinc/69/38/42/344693842.db2.gz IETDDYLWVZKBGH-UHFFFAOYSA-N 0 0 178.279 2.211 10 30 AEEERN C#CC[C@H](O)C1(C)CCCCC1 232838174 344694521 /nfs/dbraw/zinc/69/45/21/344694521.db2.gz DUZPBKIPELXBJH-JTQLQIEISA-N 0 0 166.264 2.341 10 30 AEEERN CC1(CNC2=CC(=O)CC2)CCC1 232844863 344694604 /nfs/dbraw/zinc/69/46/04/344694604.db2.gz XOALMADLPGOHIM-UHFFFAOYSA-N 0 0 179.263 2.013 10 30 AEEERN C#CC[C@@H](O)C1(C)CCCCC1 232840703 344694611 /nfs/dbraw/zinc/69/46/11/344694611.db2.gz DUZPBKIPELXBJH-SNVBAGLBSA-N 0 0 166.264 2.341 10 30 AEEERN CCC(C)(C)CNC1=CC(=O)CC1 232861915 344695402 /nfs/dbraw/zinc/69/54/02/344695402.db2.gz UBRZISCPTDBIOV-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN CC1(C)C[C@H]1C(=O)C1=CCCCO1 232898295 344696440 /nfs/dbraw/zinc/69/64/40/344696440.db2.gz CZNLFXMFNPQMME-QMMMGPOBSA-N 0 0 180.247 2.296 10 30 AEEERN C#CCCC(=O)[C@@H]1CC1(C)C 232899060 344696461 /nfs/dbraw/zinc/69/64/61/344696461.db2.gz LOXBKSPSPWKGHE-QMMMGPOBSA-N 0 0 150.221 2.015 10 30 AEEERN C=CCC(=O)[C@@H]1CC1(C)C 232899022 344696515 /nfs/dbraw/zinc/69/65/15/344696515.db2.gz AGNTWFSOHWOSFF-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)C[C@H]1C(=O)C1=COCCC1 232898373 344696528 /nfs/dbraw/zinc/69/65/28/344696528.db2.gz GRUSOLTUPCHYQP-VIFPVBQESA-N 0 0 180.247 2.296 10 30 AEEERN CCCNc1cc(N)c(C#N)s1 233194110 344699677 /nfs/dbraw/zinc/69/96/77/344699677.db2.gz BNYBRLBRPOCVSH-UHFFFAOYSA-N 0 0 181.264 2.024 10 30 AEEERN CCCNc1nccc(C#N)c1Cl 233203069 344699895 /nfs/dbraw/zinc/69/98/95/344699895.db2.gz HXFIDIBPBZRWHR-UHFFFAOYSA-N 0 0 195.653 2.429 10 30 AEEERN CCC[C@]1(CC)CC(=O)C=CO1 233362729 344701115 /nfs/dbraw/zinc/70/11/15/344701115.db2.gz KWHGJERJGTUXLD-SNVBAGLBSA-N 0 0 168.236 2.438 10 30 AEEERN CCN(CC)c1cc(N)c(C#N)s1 233448776 344702135 /nfs/dbraw/zinc/70/21/35/344702135.db2.gz ZIXISPFIAMIXKP-UHFFFAOYSA-N 0 0 195.291 2.048 10 30 AEEERN CCN(CC)C1(C#N)CC(C)C1 233441874 344702286 /nfs/dbraw/zinc/70/22/86/344702286.db2.gz BMXPYTRKZSHPEZ-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN C#C[C@H](NCC)c1ncccc1Cl 233548076 344703048 /nfs/dbraw/zinc/70/30/48/344703048.db2.gz KFHVJVAGFAJKNX-VIFPVBQESA-N 0 0 194.665 2.019 10 30 AEEERN C#C[C@@H](NCC)c1ncccc1Cl 233578303 344703136 /nfs/dbraw/zinc/70/31/36/344703136.db2.gz KFHVJVAGFAJKNX-SECBINFHSA-N 0 0 194.665 2.019 10 30 AEEERN CCN[C@@]1(C#N)CC(C)(C)C[C@@H]1C 233613286 344703141 /nfs/dbraw/zinc/70/31/41/344703141.db2.gz YIBASMQTTCOPFY-GXSJLCMTSA-N 0 0 180.295 2.314 10 30 AEEERN CCNc1ccc(C#N)c(F)c1F 233644012 344703274 /nfs/dbraw/zinc/70/32/74/344703274.db2.gz DNAKFWLQCJWODU-UHFFFAOYSA-N 0 0 182.173 2.268 10 30 AEEERN CCNc1ccc(C)cc1C#N 233651510 344703344 /nfs/dbraw/zinc/70/33/44/344703344.db2.gz RCEOMHLKDPAGNE-UHFFFAOYSA-N 0 0 160.220 2.299 10 30 AEEERN CCNc1cccc(C)c1C#N 233643640 344703495 /nfs/dbraw/zinc/70/34/95/344703495.db2.gz DDBBMDDJFWTNHQ-UHFFFAOYSA-N 0 0 160.220 2.299 10 30 AEEERN CCN[C@]1(C#N)CC(C)(C)C[C@@H]1C 233677463 344703540 /nfs/dbraw/zinc/70/35/40/344703540.db2.gz YIBASMQTTCOPFY-ONGXEEELSA-N 0 0 180.295 2.314 10 30 AEEERN CCN[C@]1(C#N)CC(C)(C)C[C@H]1C 233677479 344703630 /nfs/dbraw/zinc/70/36/30/344703630.db2.gz YIBASMQTTCOPFY-KOLCDFICSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H](C#N)C(=O)c1csc(C)n1 233836487 344704862 /nfs/dbraw/zinc/70/48/62/344704862.db2.gz AIPDTYSDWGBQEJ-ZETCQYMHSA-N 0 0 194.259 2.184 10 30 AEEERN CC[C@@H](C)CSCCC=O 233825020 344704931 /nfs/dbraw/zinc/70/49/31/344704931.db2.gz CLGAAYNNQPQXOL-MRVPVSSYSA-N 0 0 160.282 2.355 10 30 AEEERN CC[C@@H](C#N)C1(O)CC(C(C)C)C1 233836618 344704953 /nfs/dbraw/zinc/70/49/53/344704953.db2.gz LSNNSWUHOPTWMQ-YVNMAJEFSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@@H](C)Nc1cc(N)c(C#N)s1 233861127 344705213 /nfs/dbraw/zinc/70/52/13/344705213.db2.gz YRNJXJGQLODIGZ-ZCFIWIBFSA-N 0 0 195.291 2.412 10 30 AEEERN CC[C@@H](C)NC1(C#N)CC(C)C1 233860543 344705298 /nfs/dbraw/zinc/70/52/98/344705298.db2.gz GJXSGHSMXRTYEO-HWOCKDDLSA-N 0 0 166.268 2.067 10 30 AEEERN CCSc1cc(N)c(C#N)s1 233866203 344705417 /nfs/dbraw/zinc/70/54/17/344705417.db2.gz PSMMQQJJVMKHDY-UHFFFAOYSA-N 0 0 184.289 2.314 10 30 AEEERN CC[C@H](C#N)Sc1nc(C)co1 233900891 344706128 /nfs/dbraw/zinc/70/61/28/344706128.db2.gz FFVMMLZRBMUKPL-SSDOTTSWSA-N 0 0 182.248 2.377 10 30 AEEERN CC[C@@H]1C[C@H]1Nc1cccnc1C#N 233915641 344706835 /nfs/dbraw/zinc/70/68/35/344706835.db2.gz NKGMEJYFNVIALW-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@H]1C[C@@H]1Nc1cccnc1C#N 233919331 344707142 /nfs/dbraw/zinc/70/71/42/344707142.db2.gz NKGMEJYFNVIALW-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@H]1C[C@@H]1Nc1ccnc(C#N)c1 233919366 344707144 /nfs/dbraw/zinc/70/71/44/344707144.db2.gz XNMVBLSNJQUEOZ-KCJUWKMLSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@](C)(C#N)C1(O)CC(C)C1 233959263 344708645 /nfs/dbraw/zinc/70/86/45/344708645.db2.gz GQFWEKCZHWCCMO-KYHHOPLUSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)C(=O)c1cnc(C)s1 233973119 344709162 /nfs/dbraw/zinc/70/91/62/344709162.db2.gz MJZUNCKCGNXBII-SSDOTTSWSA-N 0 0 194.259 2.184 10 30 AEEERN CC[C@H](C#N)C1(O)CC(C(C)C)C1 233973310 344709187 /nfs/dbraw/zinc/70/91/87/344709187.db2.gz LSNNSWUHOPTWMQ-HSOILSAZSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@H](C#N)C(=O)c1csc(C)n1 233973176 344709194 /nfs/dbraw/zinc/70/91/94/344709194.db2.gz AIPDTYSDWGBQEJ-SSDOTTSWSA-N 0 0 194.259 2.184 10 30 AEEERN CCN(C)c1ccc(C)cc1C#N 233979504 344709328 /nfs/dbraw/zinc/70/93/28/344709328.db2.gz BNUHRPNLZALENA-UHFFFAOYSA-N 0 0 174.247 2.323 10 30 AEEERN CC[C@@H](C)c1noc(CCCC#N)n1 233983198 344709381 /nfs/dbraw/zinc/70/93/81/344709381.db2.gz UWPFKKPRTFABFM-MRVPVSSYSA-N 0 0 193.250 2.429 10 30 AEEERN CC[C@H](C)N[C@]1(C#N)CCS[C@@H]1C 233990059 344709386 /nfs/dbraw/zinc/70/93/86/344709386.db2.gz CBZVSZLXJLASOZ-AEJSXWLSSA-N 0 0 198.335 2.162 10 30 AEEERN CC[C@H](C)NC1(C#N)CC(C)C1 233992280 344709431 /nfs/dbraw/zinc/70/94/31/344709431.db2.gz GJXSGHSMXRTYEO-KYHHOPLUSA-N 0 0 166.268 2.067 10 30 AEEERN CCN(C)c1ccc(C#N)c(F)c1F 233978705 344709512 /nfs/dbraw/zinc/70/95/12/344709512.db2.gz GCEMHXVUQDFQJW-UHFFFAOYSA-N 0 0 196.200 2.293 10 30 AEEERN CC[C@H](C)c1noc(CCCC#N)n1 234006235 344709789 /nfs/dbraw/zinc/70/97/89/344709789.db2.gz UWPFKKPRTFABFM-QMMMGPOBSA-N 0 0 193.250 2.429 10 30 AEEERN CC[C@H](C)Nc1cc(N)c(C#N)s1 233994663 344709990 /nfs/dbraw/zinc/70/99/90/344709990.db2.gz YRNJXJGQLODIGZ-LURJTMIESA-N 0 0 195.291 2.412 10 30 AEEERN CC[C@H](C)c1noc([C@@H]2C[C@@H]2C#N)n1 234009791 344710274 /nfs/dbraw/zinc/71/02/74/344710274.db2.gz QXTKWXZYOWFSJC-XLPZGREQSA-N 0 0 191.234 2.210 10 30 AEEERN CC[C@H](C)c1noc([C@H]2C[C@@H]2C#N)n1 234010260 344710341 /nfs/dbraw/zinc/71/03/41/344710341.db2.gz QXTKWXZYOWFSJC-RNJXMRFFSA-N 0 0 191.234 2.210 10 30 AEEERN CC[C@](C)(C#N)C1(O)CC(C)C1 234091207 344712598 /nfs/dbraw/zinc/71/25/98/344712598.db2.gz GQFWEKCZHWCCMO-HWOCKDDLSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H]1C[C@H]1Nc1ccnc(C#N)c1 234134012 344713332 /nfs/dbraw/zinc/71/33/32/344713332.db2.gz XNMVBLSNJQUEOZ-GZMMTYOYSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@H]1Nc1cccnc1C#N 234133957 344713502 /nfs/dbraw/zinc/71/35/02/344713502.db2.gz NKGMEJYFNVIALW-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1ccnc(C#N)c1 234142646 344713816 /nfs/dbraw/zinc/71/38/16/344713816.db2.gz XNMVBLSNJQUEOZ-KWQFWETISA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1cccnc1C#N 234142581 344713888 /nfs/dbraw/zinc/71/38/88/344713888.db2.gz NKGMEJYFNVIALW-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CCn1nccc1C(=O)C1=CCCC1 234202052 344715117 /nfs/dbraw/zinc/71/51/17/344715117.db2.gz CNAGYHCXNNSQJZ-UHFFFAOYSA-N 0 0 190.246 2.196 10 30 AEEERN C=C[C@H](O)c1ccoc1CC 234265264 344716383 /nfs/dbraw/zinc/71/63/83/344716383.db2.gz JNFBYCZNLFGCRS-QMMMGPOBSA-N 0 0 152.193 2.061 10 30 AEEERN C=C[C@@H](O)c1ccoc1CC 234293745 344717083 /nfs/dbraw/zinc/71/70/83/344717083.db2.gz JNFBYCZNLFGCRS-MRVPVSSYSA-N 0 0 152.193 2.061 10 30 AEEERN CN[C@@H](C#N)c1ccc(C)c(Cl)c1 234394388 344719613 /nfs/dbraw/zinc/71/96/13/344719613.db2.gz QVXBUARTVLWPEY-JTQLQIEISA-N 0 0 194.665 2.433 10 30 AEEERN CN[C@H](C#N)c1ccc(C)c(Cl)c1 234450269 344720771 /nfs/dbraw/zinc/72/07/71/344720771.db2.gz QVXBUARTVLWPEY-SNVBAGLBSA-N 0 0 194.665 2.433 10 30 AEEERN CN[C@H](C#N)[C@H]1CC(C)=C[C@@H](C)C1 234449740 344720875 /nfs/dbraw/zinc/72/08/75/344720875.db2.gz IXPLXRHUZDKZBI-FBIMIBRVSA-N 0 0 178.279 2.090 10 30 AEEERN CN[C@H](C#N)[C@@H]1CC(C)=C[C@@H](C)C1 234449789 344720902 /nfs/dbraw/zinc/72/09/02/344720902.db2.gz IXPLXRHUZDKZBI-DVVUODLYSA-N 0 0 178.279 2.090 10 30 AEEERN C=C[C@@H](NC)c1ccoc1Cl 234435255 344720995 /nfs/dbraw/zinc/72/09/95/344720995.db2.gz NLOLAAAZEJKNSW-SSDOTTSWSA-N 0 0 171.627 2.380 10 30 AEEERN CN[C@H](C#N)c1ccc(Cl)cc1C 234450326 344721546 /nfs/dbraw/zinc/72/15/46/344721546.db2.gz NQKHXFHLQCIFII-SNVBAGLBSA-N 0 0 194.665 2.433 10 30 AEEERN CN[C@H](C#N)c1ccc(F)cc1Cl 234450443 344721566 /nfs/dbraw/zinc/72/15/66/344721566.db2.gz BCMNOJKHFQBCJE-SECBINFHSA-N 0 0 198.628 2.263 10 30 AEEERN CNc1sc(C#N)c(N)c1C1CC1 234541331 344722980 /nfs/dbraw/zinc/72/29/80/344722980.db2.gz XLOXDKRXBFXWTG-UHFFFAOYSA-N 0 0 193.275 2.121 10 30 AEEERN COC(C)(C)C[C@@H]1OCCC[C@@H]1C#N 234615864 344723937 /nfs/dbraw/zinc/72/39/37/344723937.db2.gz XFVYYRAOGWSLMP-ZJUUUORDSA-N 0 0 197.278 2.120 10 30 AEEERN COCC(=O)C1=CCCCCC1 234600690 344724202 /nfs/dbraw/zinc/72/42/02/344724202.db2.gz PFOPYJAVBRFFLA-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN COC(C)(C)C[C@H]1OCCC[C@@H]1C#N 234657179 344725087 /nfs/dbraw/zinc/72/50/87/344725087.db2.gz XFVYYRAOGWSLMP-NXEZZACHSA-N 0 0 197.278 2.120 10 30 AEEERN COC(C)(C)C[C@H]1OCCC[C@H]1C#N 234657552 344725168 /nfs/dbraw/zinc/72/51/68/344725168.db2.gz XFVYYRAOGWSLMP-VHSXEESVSA-N 0 0 197.278 2.120 10 30 AEEERN CO[C@H]1CCC/C(=C\C(C)=O)C1 234776733 344726919 /nfs/dbraw/zinc/72/69/19/344726919.db2.gz ZDDFOTIIZFTAIQ-ZKXNXJMVSA-N 0 0 168.236 2.091 10 30 AEEERN CO[C@@H]1CCC/C(=C\C(C)=O)C1 234808531 344728258 /nfs/dbraw/zinc/72/82/58/344728258.db2.gz ZDDFOTIIZFTAIQ-OLKPEBQYSA-N 0 0 168.236 2.091 10 30 AEEERN CO[C@@H]1CCCC/C1=C\C(C)=O 234833930 344729341 /nfs/dbraw/zinc/72/93/41/344729341.db2.gz VJTBWMAJCSDAOR-TTZKWOQHSA-N 0 0 168.236 2.091 10 30 AEEERN C=C[C@H](C)Nc1ccc(OC)cn1 234872883 344729626 /nfs/dbraw/zinc/72/96/26/344729626.db2.gz AUYBVIPWQQTAGP-QMMMGPOBSA-N 0 0 178.235 2.077 10 30 AEEERN C=C[C@H](C)Nc1ccc(OC)nc1 234872830 344729671 /nfs/dbraw/zinc/72/96/71/344729671.db2.gz UDPJEXQZJTZHJU-QMMMGPOBSA-N 0 0 178.235 2.077 10 30 AEEERN C=CC(=O)c1cccc(OC)c1F 234872684 344729820 /nfs/dbraw/zinc/72/98/20/344729820.db2.gz CBCDIXNMILJVSS-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN COc1ccc(N=[N+]=[N-])nc1 234871428 344729963 /nfs/dbraw/zinc/72/99/63/344729963.db2.gz VCXDBJDBQGUZJA-UHFFFAOYSA-N 0 0 150.141 2.032 10 30 AEEERN C=C(Cl)CNc1ccc(OC)cn1 234894902 344730097 /nfs/dbraw/zinc/73/00/97/344730097.db2.gz ZUWBIBAZWIDSAT-UHFFFAOYSA-N 0 0 198.653 2.255 10 30 AEEERN COc1cc(CSC)ccc1C#N 234888292 344730136 /nfs/dbraw/zinc/73/01/36/344730136.db2.gz XZPRNZBSNDQTIS-UHFFFAOYSA-N 0 0 193.271 2.430 10 30 AEEERN CO[C@H]1CCCC/C1=C\C(C)=O 234889104 344730145 /nfs/dbraw/zinc/73/01/45/344730145.db2.gz VJTBWMAJCSDAOR-PCYYEKQGSA-N 0 0 168.236 2.091 10 30 AEEERN C=C[C@@H](C)Nc1ccc(OC)cn1 234878069 344730214 /nfs/dbraw/zinc/73/02/14/344730214.db2.gz AUYBVIPWQQTAGP-MRVPVSSYSA-N 0 0 178.235 2.077 10 30 AEEERN C=C[C@@H](C)Nc1ccc(OC)nc1 234878032 344730393 /nfs/dbraw/zinc/73/03/93/344730393.db2.gz UDPJEXQZJTZHJU-MRVPVSSYSA-N 0 0 178.235 2.077 10 30 AEEERN C#CCC(=O)c1ccc(C)cc1OC 234920168 344730762 /nfs/dbraw/zinc/73/07/62/344730762.db2.gz OPJZBHCLJTVPIR-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN COc1cccc(NC2(C#N)CC2)c1 234979842 344731491 /nfs/dbraw/zinc/73/14/91/344731491.db2.gz BEGCDCXPOYXFMF-UHFFFAOYSA-N 0 0 188.230 2.163 10 30 AEEERN C#CCC(=O)[C@H](C)c1ccccc1 235063031 344731995 /nfs/dbraw/zinc/73/19/95/344731995.db2.gz VVRMFCHLSJQTTE-SNVBAGLBSA-N 0 0 172.227 2.383 10 30 AEEERN Cc1nc(C)c(C(=O)[C@@H](C)C#N)s1 235073035 344732401 /nfs/dbraw/zinc/73/24/01/344732401.db2.gz XGUMVKUNEDDWQC-YFKPBYRVSA-N 0 0 194.259 2.102 10 30 AEEERN C[C@@H](C#N)C(=O)c1ccoc1Cl 235072780 344732484 /nfs/dbraw/zinc/73/24/84/344732484.db2.gz XKBQSBUGIYELPY-YFKPBYRVSA-N 0 0 183.594 2.275 10 30 AEEERN C[C@@H](C=O)c1cccc(F)c1F 235081044 344732519 /nfs/dbraw/zinc/73/25/19/344732519.db2.gz JQIGEUJFKWAEPY-LURJTMIESA-N 0 0 170.158 2.267 10 30 AEEERN C=CC[C@H](C)Nc1ccc(N)c(N)c1 235078121 344732577 /nfs/dbraw/zinc/73/25/77/344732577.db2.gz QWNBTOAMZGKIQJ-QMMMGPOBSA-N 0 0 191.278 2.228 10 30 AEEERN CSc1cc(N=[N+]=[N-])ncn1 235087757 344732947 /nfs/dbraw/zinc/73/29/47/344732947.db2.gz NBTPLWIKKIVPMM-UHFFFAOYSA-N 0 0 167.197 2.140 10 30 AEEERN C[C@H](C#N)CS[C@@H]1CCO[C@@H]1C 235132632 344733665 /nfs/dbraw/zinc/73/36/65/344733665.db2.gz NYPONLVQJPQRRZ-IWSPIJDZSA-N 0 0 185.292 2.057 10 30 AEEERN C[C@H](C#N)CS[C@H]1CCO[C@@H]1C 235133043 344733791 /nfs/dbraw/zinc/73/37/91/344733791.db2.gz NYPONLVQJPQRRZ-HLTSFMKQSA-N 0 0 185.292 2.057 10 30 AEEERN C#C[C@@H](C)Oc1ccc(F)cc1C#N 235231721 344736478 /nfs/dbraw/zinc/73/64/78/344736478.db2.gz VKLFNGLMNAGDMX-MRVPVSSYSA-N 0 0 189.189 2.098 10 30 AEEERN C=C(C)CC1([C@@H](C)O)CC1 235229830 344736486 /nfs/dbraw/zinc/73/64/86/344736486.db2.gz BIMAVMDXOJBLNO-MRVPVSSYSA-N 0 0 140.226 2.114 10 30 AEEERN C#C[C@@H](C)Oc1ccc(F)cc1C=O 235232008 344736642 /nfs/dbraw/zinc/73/66/42/344736642.db2.gz PIUSPMRZYXIMGW-MRVPVSSYSA-N 0 0 192.189 2.039 10 30 AEEERN C#C[C@@H](C)Oc1ccnc(Cl)c1 235229179 344736689 /nfs/dbraw/zinc/73/66/89/344736689.db2.gz XUHGIKSLTKULPY-SSDOTTSWSA-N 0 0 181.622 2.136 10 30 AEEERN C#C[C@@H](C)Oc1nc(Cl)cs1 235231879 344736735 /nfs/dbraw/zinc/73/67/35/344736735.db2.gz GDNBXLXHSBNOFB-RXMQYKEDSA-N 0 0 187.651 2.197 10 30 AEEERN C[C@@H](O)c1c[nH]c2ccc(C#N)cc12 235236594 344737085 /nfs/dbraw/zinc/73/70/85/344737085.db2.gz UOZTURWYNZHPKX-SSDOTTSWSA-N 0 0 186.214 2.093 10 30 AEEERN C[C@H](C#N)Oc1c(N)cccc1Cl 235239304 344737156 /nfs/dbraw/zinc/73/71/56/344737156.db2.gz JJVYMKFBOSKZAG-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN C#C[C@@H](C)Oc1cc(Cl)ncc1C 235249004 344737374 /nfs/dbraw/zinc/73/73/74/344737374.db2.gz ZZKCBFJOEKJFCD-MRVPVSSYSA-N 0 0 195.649 2.444 10 30 AEEERN C#C[C@@H](C)Oc1cccc(Cl)n1 235251509 344737435 /nfs/dbraw/zinc/73/74/35/344737435.db2.gz NPNUMTGXKREWCM-SSDOTTSWSA-N 0 0 181.622 2.136 10 30 AEEERN C#C[C@@H](C)Nc1ccccc1N(C)C 235242407 344737517 /nfs/dbraw/zinc/73/75/17/344737517.db2.gz IUWAQFBEFNYVFS-SNVBAGLBSA-N 0 0 188.274 2.186 10 30 AEEERN C[C@@H](O)C(=O)C1=CCCCCCC1 235252093 344737541 /nfs/dbraw/zinc/73/75/41/344737541.db2.gz VDUZALYTHNIQHP-SECBINFHSA-N 0 0 182.263 2.217 10 30 AEEERN C#C[C@@H](C)OCc1ccc(Cl)nc1 235253095 344737691 /nfs/dbraw/zinc/73/76/91/344737691.db2.gz XMQMJMMHKGILOZ-MRVPVSSYSA-N 0 0 195.649 2.273 10 30 AEEERN C#C[C@@H](C)Oc1cccc(F)c1C#N 235252336 344737693 /nfs/dbraw/zinc/73/76/93/344737693.db2.gz NDYSRKURWRLDST-MRVPVSSYSA-N 0 0 189.189 2.098 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@]1(C#N)N(C)C 235255222 344738131 /nfs/dbraw/zinc/73/81/31/344738131.db2.gz HGDWZMAHMQMDDN-KOLCDFICSA-N 0 0 180.295 2.266 10 30 AEEERN C#C[C@@H](C)Oc1ccc(C#N)c(C)c1 235259949 344738580 /nfs/dbraw/zinc/73/85/80/344738580.db2.gz CRPWLINDEOBHCH-SNVBAGLBSA-N 0 0 185.226 2.267 10 30 AEEERN C[C@@H]1CCC[C@H](NCC#N)CC1 235266133 344739026 /nfs/dbraw/zinc/73/90/26/344739026.db2.gz WSFJHQKPXBAEID-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN C#CC[C@]1(O)CC(C)(C)C[C@H]1C 235273090 344739437 /nfs/dbraw/zinc/73/94/37/344739437.db2.gz WKNJJMSLCXVTIM-KOLCDFICSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCC[C@@H](C)CC1 235272977 344739487 /nfs/dbraw/zinc/73/94/87/344739487.db2.gz DMXNTFNDLPIGPY-VWYCJHECSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H]1CCC[C@H](OC(=O)CS)C1 235274648 344739886 /nfs/dbraw/zinc/73/98/86/344739886.db2.gz FMMUWNVUXORVIB-SFYZADRCSA-N 0 0 188.292 2.038 10 30 AEEERN C[C@@H]1CCC[C@H](N[C@H](C)C#N)CC1 235273881 344739949 /nfs/dbraw/zinc/73/99/49/344739949.db2.gz DMXNTFNDLPIGPY-MXWKQRLJSA-N 0 0 180.295 2.457 10 30 AEEERN C=C[C@@H](C)Nc1ncc(N)cc1Cl 235280039 344740237 /nfs/dbraw/zinc/74/02/37/344740237.db2.gz WINOPIQMYJBPFL-ZCFIWIBFSA-N 0 0 197.669 2.304 10 30 AEEERN C[C@@H]1C[C@H]1Nc1cc(N)c(C#N)s1 235284874 344740277 /nfs/dbraw/zinc/74/02/77/344740277.db2.gz DQUNYNWLIVQSHI-IYSWYEEDSA-N 0 0 193.275 2.022 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@@]12CO2 235288037 344740788 /nfs/dbraw/zinc/74/07/88/344740788.db2.gz LFTIUIJIYXLVIF-VXNVDRBHSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCC[C@@H](NCC#N)CC1 235286224 344741038 /nfs/dbraw/zinc/74/10/38/344741038.db2.gz WSFJHQKPXBAEID-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@@H]1CCC[C@@H](OC(=O)CS)C1 235293045 344741240 /nfs/dbraw/zinc/74/12/40/344741240.db2.gz FMMUWNVUXORVIB-HTQZYQBOSA-N 0 0 188.292 2.038 10 30 AEEERN C[C@@H]1OCC[C@H]1SC1=CC(=O)CC1 235291723 344741263 /nfs/dbraw/zinc/74/12/63/344741263.db2.gz MBESMLFCRJLOIE-OIBJUYFYSA-N 0 0 198.287 2.144 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCC[C@@H](C)CC1 235291453 344741424 /nfs/dbraw/zinc/74/14/24/344741424.db2.gz DMXNTFNDLPIGPY-OUAUKWLOSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H]1OCC[C@@H]1SC1=CC(=O)CC1 235294665 344741500 /nfs/dbraw/zinc/74/15/00/344741500.db2.gz MBESMLFCRJLOIE-XVKPBYJWSA-N 0 0 198.287 2.144 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@H]1C=O 235291336 344741585 /nfs/dbraw/zinc/74/15/85/344741585.db2.gz RTQYUPMVDYPMOL-SFYZADRCSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@@H]1C[C@@H]1Nc1cc(N)c(C#N)s1 235302748 344742260 /nfs/dbraw/zinc/74/22/60/344742260.db2.gz DQUNYNWLIVQSHI-VDTYLAMSSA-N 0 0 193.275 2.022 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@]1(C#N)N(C)C 235328643 344744039 /nfs/dbraw/zinc/74/40/39/344744039.db2.gz HGDWZMAHMQMDDN-MWLCHTKSSA-N 0 0 180.295 2.266 10 30 AEEERN C#CC[C@@]1(O)CC(C)(C)C[C@H]1C 235342189 344744360 /nfs/dbraw/zinc/74/43/60/344744360.db2.gz WKNJJMSLCXVTIM-MWLCHTKSSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@@H]1SCC[C@@]1(Cl)C#N 235341024 344744371 /nfs/dbraw/zinc/74/43/71/344744371.db2.gz CZPUBTQKRFCUGB-NTSWFWBYSA-N 0 0 161.657 2.013 10 30 AEEERN C[C@@H]1CC(C)(C)C[C@]12CO2 235352191 344745856 /nfs/dbraw/zinc/74/58/56/344745856.db2.gz LFTIUIJIYXLVIF-APPZFPTMSA-N 0 0 140.226 2.212 10 30 AEEERN C=C=CC(=O)C1=CC[C@H](C)CC1 235377094 344746734 /nfs/dbraw/zinc/74/67/34/344746734.db2.gz HGXINKHXBHMMPT-VIFPVBQESA-N 0 0 162.232 2.325 10 30 AEEERN C[C@@H]1SCC[C@]1(Cl)C#N 235395287 344747880 /nfs/dbraw/zinc/74/78/80/344747880.db2.gz CZPUBTQKRFCUGB-WDSKDSINSA-N 0 0 161.657 2.013 10 30 AEEERN C#C[C@](C)(O)Cc1ccc(Cl)cc1 235404725 344748451 /nfs/dbraw/zinc/74/84/51/344748451.db2.gz RRCOSTBBAPREPC-NSHDSACASA-N 0 0 194.661 2.267 10 30 AEEERN C#CCCC[C@@]1(O)CCS[C@H]1C 235400806 344748594 /nfs/dbraw/zinc/74/85/94/344748594.db2.gz IJANHSRMSACTLV-VHSXEESVSA-N 0 0 184.304 2.046 10 30 AEEERN C[C@H](C#N)C(=O)c1ccoc1Cl 235421598 344748815 /nfs/dbraw/zinc/74/88/15/344748815.db2.gz XKBQSBUGIYELPY-RXMQYKEDSA-N 0 0 183.594 2.275 10 30 AEEERN C=C[C@@](C)(O)c1cccc(F)c1F 235418072 344748776 /nfs/dbraw/zinc/74/87/76/344748776.db2.gz JGKHHLYSCZYKGO-SNVBAGLBSA-N 0 0 184.185 2.358 10 30 AEEERN Cc1nc(C)c(C(=O)[C@H](C)C#N)s1 235421796 344748840 /nfs/dbraw/zinc/74/88/40/344748840.db2.gz XGUMVKUNEDDWQC-RXMQYKEDSA-N 0 0 194.259 2.102 10 30 AEEERN C#CCC(=O)[C@@H](C)c1ccccc1 235410037 344748851 /nfs/dbraw/zinc/74/88/51/344748851.db2.gz VVRMFCHLSJQTTE-JTQLQIEISA-N 0 0 172.227 2.383 10 30 AEEERN C[C@@](O)(C=O)C1=CCCCCCC1 235418386 344748929 /nfs/dbraw/zinc/74/89/29/344748929.db2.gz FSDSDHKRBLXJKG-LLVKDONJSA-N 0 0 182.263 2.217 10 30 AEEERN CC(=O)/C=C1\CCS[C@H]1C 235414034 344748968 /nfs/dbraw/zinc/74/89/68/344748968.db2.gz VRUKCVTUHAOMKN-QAZRXNLGSA-N 0 0 156.250 2.027 10 30 AEEERN C=CC[C@@H](C)Nc1ccc(N)c(N)c1 235428580 344749291 /nfs/dbraw/zinc/74/92/91/344749291.db2.gz QWNBTOAMZGKIQJ-MRVPVSSYSA-N 0 0 191.278 2.228 10 30 AEEERN C[C@H](CC#N)S[C@@H]1CCO[C@@H]1C 235434921 344749301 /nfs/dbraw/zinc/74/93/01/344749301.db2.gz HCIXUMBYNVLHCC-IWSPIJDZSA-N 0 0 185.292 2.199 10 30 AEEERN C[C@@]1(c2cccc(F)c2F)CO1 235424430 344749314 /nfs/dbraw/zinc/74/93/14/344749314.db2.gz ZSKVZVVXSKLYNZ-VIFPVBQESA-N 0 0 170.158 2.210 10 30 AEEERN C[C@H](CC#N)S[C@H]1CCO[C@@H]1C 235434937 344749561 /nfs/dbraw/zinc/74/95/61/344749561.db2.gz HCIXUMBYNVLHCC-HLTSFMKQSA-N 0 0 185.292 2.199 10 30 AEEERN C[C@H](C=O)c1cccc(F)c1F 235447069 344749813 /nfs/dbraw/zinc/74/98/13/344749813.db2.gz JQIGEUJFKWAEPY-ZCFIWIBFSA-N 0 0 170.158 2.267 10 30 AEEERN C#C[C@H](C)Nc1ccccc1N(C)C 235535901 344752932 /nfs/dbraw/zinc/75/29/32/344752932.db2.gz IUWAQFBEFNYVFS-JTQLQIEISA-N 0 0 188.274 2.186 10 30 AEEERN C=C[C@H](C)Nc1ncc(N)cc1Cl 235536589 344752990 /nfs/dbraw/zinc/75/29/90/344752990.db2.gz WINOPIQMYJBPFL-LURJTMIESA-N 0 0 197.669 2.304 10 30 AEEERN C#C[C@H](C)Oc1ccc(F)cc1C=O 235538412 344753031 /nfs/dbraw/zinc/75/30/31/344753031.db2.gz PIUSPMRZYXIMGW-QMMMGPOBSA-N 0 0 192.189 2.039 10 30 AEEERN C#C[C@H](C)Oc1ccnc(Cl)c1 235532837 344753037 /nfs/dbraw/zinc/75/30/37/344753037.db2.gz XUHGIKSLTKULPY-ZETCQYMHSA-N 0 0 181.622 2.136 10 30 AEEERN C#C[C@H](C)Oc1ccc(F)cc1C#N 235538058 344753128 /nfs/dbraw/zinc/75/31/28/344753128.db2.gz VKLFNGLMNAGDMX-QMMMGPOBSA-N 0 0 189.189 2.098 10 30 AEEERN C#C[C@H](C)Oc1nc(Cl)cs1 235534509 344753190 /nfs/dbraw/zinc/75/31/90/344753190.db2.gz GDNBXLXHSBNOFB-YFKPBYRVSA-N 0 0 187.651 2.197 10 30 AEEERN C[C@H](O)C(=O)C1=CCCCCCC1 235540918 344753681 /nfs/dbraw/zinc/75/36/81/344753681.db2.gz VDUZALYTHNIQHP-VIFPVBQESA-N 0 0 182.263 2.217 10 30 AEEERN C[C@@H](C#N)Oc1c(N)cccc1Cl 235546279 344753817 /nfs/dbraw/zinc/75/38/17/344753817.db2.gz JJVYMKFBOSKZAG-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C=C=CC(=O)C1=CC[C@@H](C)CC1 235547115 344754149 /nfs/dbraw/zinc/75/41/49/344754149.db2.gz HGXINKHXBHMMPT-SECBINFHSA-N 0 0 162.232 2.325 10 30 AEEERN C[C@H]1CCC[C@@H](NCC#N)CC1 235554346 344754365 /nfs/dbraw/zinc/75/43/65/344754365.db2.gz WSFJHQKPXBAEID-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@]1(C#N)N(C)C 235552694 344754402 /nfs/dbraw/zinc/75/44/02/344754402.db2.gz HGDWZMAHMQMDDN-ONGXEEELSA-N 0 0 180.295 2.266 10 30 AEEERN C#C[C@H](C)Oc1cc(Cl)ncc1C 235553295 344754631 /nfs/dbraw/zinc/75/46/31/344754631.db2.gz ZZKCBFJOEKJFCD-QMMMGPOBSA-N 0 0 195.649 2.444 10 30 AEEERN C[C@H]1CCC[C@@H](OC(=O)CS)C1 235558389 344755062 /nfs/dbraw/zinc/75/50/62/344755062.db2.gz FMMUWNVUXORVIB-JGVFFNPUSA-N 0 0 188.292 2.038 10 30 AEEERN C#C[C@H](C)Oc1ccc(C#N)c(C)c1 235564047 344755339 /nfs/dbraw/zinc/75/53/39/344755339.db2.gz CRPWLINDEOBHCH-JTQLQIEISA-N 0 0 185.226 2.267 10 30 AEEERN Cc1cccc(N2CC[C@@H]2C)c1C#N 235564491 344755381 /nfs/dbraw/zinc/75/53/81/344755381.db2.gz VGMVVPVBRFNNGZ-JTQLQIEISA-N 0 0 186.258 2.465 10 30 AEEERN C#C[C@H](C)Oc1cccc(Cl)n1 235562574 344755378 /nfs/dbraw/zinc/75/53/78/344755378.db2.gz NPNUMTGXKREWCM-ZETCQYMHSA-N 0 0 181.622 2.136 10 30 AEEERN C[C@H](S)C(=O)Nc1ccsc1 235564908 344755400 /nfs/dbraw/zinc/75/54/00/344755400.db2.gz AHBHLVSAVSJJIA-YFKPBYRVSA-N 0 0 187.289 2.005 10 30 AEEERN C#C[C@H](C)Oc1cccc(F)c1C#N 235564103 344755413 /nfs/dbraw/zinc/75/54/13/344755413.db2.gz NDYSRKURWRLDST-QMMMGPOBSA-N 0 0 189.189 2.098 10 30 AEEERN C#CC[C@]1(O)CC(C)(C)C[C@@H]1C 235562527 344755495 /nfs/dbraw/zinc/75/54/95/344755495.db2.gz WKNJJMSLCXVTIM-ONGXEEELSA-N 0 0 166.264 2.197 10 30 AEEERN C=C(C)CC1([C@H](C)O)CC1 235567739 344755758 /nfs/dbraw/zinc/75/57/58/344755758.db2.gz BIMAVMDXOJBLNO-QMMMGPOBSA-N 0 0 140.226 2.114 10 30 AEEERN C#C[C@H](C)OCc1ccc(Cl)nc1 235567178 344755951 /nfs/dbraw/zinc/75/59/51/344755951.db2.gz XMQMJMMHKGILOZ-QMMMGPOBSA-N 0 0 195.649 2.273 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@]12CO2 235568821 344756042 /nfs/dbraw/zinc/75/60/42/344756042.db2.gz LFTIUIJIYXLVIF-IONNQARKSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1CC(C)(C)C[C@H]1C=O 235570507 344756546 /nfs/dbraw/zinc/75/65/46/344756546.db2.gz RTQYUPMVDYPMOL-YUMQZZPRSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1C[C@@H]1Nc1cc(N)c(C#N)s1 235579437 344756932 /nfs/dbraw/zinc/75/69/32/344756932.db2.gz DQUNYNWLIVQSHI-FSPLSTOPSA-N 0 0 193.275 2.022 10 30 AEEERN C[C@H]1CCC[C@H](NCC#N)CC1 235580188 344756992 /nfs/dbraw/zinc/75/69/92/344756992.db2.gz WSFJHQKPXBAEID-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H]1CCC[C@H](OC(=O)CS)C1 235583791 344757536 /nfs/dbraw/zinc/75/75/36/344757536.db2.gz FMMUWNVUXORVIB-YUMQZZPRSA-N 0 0 188.292 2.038 10 30 AEEERN C[C@H]1C[C@H]1Nc1cc(N)c(C#N)s1 235593289 344758160 /nfs/dbraw/zinc/75/81/60/344758160.db2.gz DQUNYNWLIVQSHI-CAHLUQPWSA-N 0 0 193.275 2.022 10 30 AEEERN C[C@H]1CC(C)(C)C[C@]1(C#N)N(C)C 235596054 344758470 /nfs/dbraw/zinc/75/84/70/344758470.db2.gz HGDWZMAHMQMDDN-GXSJLCMTSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1OCC[C@@H]1SC1=CC(=O)CC1 235617771 344759785 /nfs/dbraw/zinc/75/97/85/344759785.db2.gz MBESMLFCRJLOIE-XCBNKYQSSA-N 0 0 198.287 2.144 10 30 AEEERN C#CC[C@@]1(O)CC(C)(C)C[C@@H]1C 235609486 344759834 /nfs/dbraw/zinc/75/98/34/344759834.db2.gz WKNJJMSLCXVTIM-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN C#CC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 235622599 344760145 /nfs/dbraw/zinc/76/01/45/344760145.db2.gz UIAFONSYNCEQSR-USWWRNFRSA-N 0 0 178.275 2.363 10 30 AEEERN C[C@H]1CC(C)(C)C[C@]12CO2 235623707 344760188 /nfs/dbraw/zinc/76/01/88/344760188.db2.gz LFTIUIJIYXLVIF-CBAPKCEASA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1OCC[C@H]1SC1=CC(=O)CC1 235634865 344760669 /nfs/dbraw/zinc/76/06/69/344760669.db2.gz MBESMLFCRJLOIE-GMSGAONNSA-N 0 0 198.287 2.144 10 30 AEEERN C#CCCC[C@]1(O)CCS[C@@H]1C 235633287 344760716 /nfs/dbraw/zinc/76/07/16/344760716.db2.gz IJANHSRMSACTLV-ZJUUUORDSA-N 0 0 184.304 2.046 10 30 AEEERN C#CCCC[C@@]1(O)CCS[C@@H]1C 235674883 344762774 /nfs/dbraw/zinc/76/27/74/344762774.db2.gz IJANHSRMSACTLV-NXEZZACHSA-N 0 0 184.304 2.046 10 30 AEEERN CC(=O)/C=C1\CCS[C@@H]1C 235684508 344763142 /nfs/dbraw/zinc/76/31/42/344763142.db2.gz VRUKCVTUHAOMKN-KBUNYLKBSA-N 0 0 156.250 2.027 10 30 AEEERN C=C[C@](C)(O)c1cccc(F)c1F 235715385 344764338 /nfs/dbraw/zinc/76/43/38/344764338.db2.gz JGKHHLYSCZYKGO-JTQLQIEISA-N 0 0 184.185 2.358 10 30 AEEERN C[C@](O)(C=O)C1=CCCCCCC1 235715606 344764380 /nfs/dbraw/zinc/76/43/80/344764380.db2.gz FSDSDHKRBLXJKG-NSHDSACASA-N 0 0 182.263 2.217 10 30 AEEERN C[C@]1(c2cccc(F)c2F)CO1 235719946 344764404 /nfs/dbraw/zinc/76/44/04/344764404.db2.gz ZSKVZVVXSKLYNZ-SECBINFHSA-N 0 0 170.158 2.210 10 30 AEEERN C=CC(=O)c1csc(C)c1 235739674 344764961 /nfs/dbraw/zinc/76/49/61/344764961.db2.gz PSZQOFOSJVSMOX-UHFFFAOYSA-N 0 0 152.218 2.425 10 30 AEEERN Cc1cc(C)c(C#CCCO)c(F)c1 235741954 344765083 /nfs/dbraw/zinc/76/50/83/344765083.db2.gz BKNISPYCKHSRPP-UHFFFAOYSA-N 0 0 192.233 2.176 10 30 AEEERN C=CC(=O)c1[nH]c(C)c(C)c1C 235746453 344765150 /nfs/dbraw/zinc/76/51/50/344765150.db2.gz AENXYZKYVXCDLO-UHFFFAOYSA-N 0 0 163.220 2.309 10 30 AEEERN Cc1cc(C#N)c(C)n1CC1CC1 235754942 344765529 /nfs/dbraw/zinc/76/55/29/344765529.db2.gz OJNAKZIYPCUXOS-UHFFFAOYSA-N 0 0 174.247 2.387 10 30 AEEERN C#CCNc1cnc(Cl)c(C)c1 235764079 344765559 /nfs/dbraw/zinc/76/55/59/344765559.db2.gz XGXPDWRSNODCHR-UHFFFAOYSA-N 0 0 180.638 2.089 10 30 AEEERN Cc1ccc(F)c([C@H](O)CC#N)c1 235767690 344766001 /nfs/dbraw/zinc/76/60/01/344766001.db2.gz RQXJKNSHAIQOHX-SNVBAGLBSA-N 0 0 179.194 2.081 10 30 AEEERN Cc1ccc(F)c([C@@H](O)CC#N)c1 235764752 344766019 /nfs/dbraw/zinc/76/60/19/344766019.db2.gz RQXJKNSHAIQOHX-JTQLQIEISA-N 0 0 179.194 2.081 10 30 AEEERN Cc1cccc(NCCF)c1C#N 235785426 344766233 /nfs/dbraw/zinc/76/62/33/344766233.db2.gz MXOBAIKPHAQLMP-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN C=CCNc1cccc(C)c1N 235782889 344766414 /nfs/dbraw/zinc/76/64/14/344766414.db2.gz HFKVKHRWIWUJDH-UHFFFAOYSA-N 0 0 162.236 2.175 10 30 AEEERN C=CCNc1cccc(C)c1C#N 235782841 344766426 /nfs/dbraw/zinc/76/64/26/344766426.db2.gz QGGPSNCQIUMXAV-UHFFFAOYSA-N 0 0 172.231 2.465 10 30 AEEERN C#CC(=O)c1ccc(C)cc1Cl 235782161 344766500 /nfs/dbraw/zinc/76/65/00/344766500.db2.gz DVOINQYACCUUNA-UHFFFAOYSA-N 0 0 178.618 2.464 10 30 AEEERN CC(C)(C)[C@@H]1CCC[C@H](C=O)O1 238153844 344794233 /nfs/dbraw/zinc/79/42/33/344794233.db2.gz YBLZOSHPFRXCEW-BDAKNGLRSA-N 0 0 170.252 2.169 10 30 AEEERN Cc1nc(SCCS)oc1C 235804423 344767057 /nfs/dbraw/zinc/76/70/57/344767057.db2.gz FDTKBBWVPSJQLM-UHFFFAOYSA-N 0 0 189.305 2.313 10 30 AEEERN C#C[C@@H](O)c1cc(C)c(C)cc1C 235803175 344767174 /nfs/dbraw/zinc/76/71/74/344767174.db2.gz HVSHPZQJFBHBDY-GFCCVEGCSA-N 0 0 174.243 2.278 10 30 AEEERN C#C[C@H](O)c1ccc(C)cc1Cl 235803913 344767195 /nfs/dbraw/zinc/76/71/95/344767195.db2.gz VVWPZVFUKJLMPL-JTQLQIEISA-N 0 0 180.634 2.315 10 30 AEEERN C#C[C@H](O)c1cc(C)c(C)cc1C 235797664 344767206 /nfs/dbraw/zinc/76/72/06/344767206.db2.gz HVSHPZQJFBHBDY-LBPRGKRZSA-N 0 0 174.243 2.278 10 30 AEEERN C=CC(=O)c1ccsc1C 235808085 344767520 /nfs/dbraw/zinc/76/75/20/344767520.db2.gz BZNGRBRSTBOHAJ-UHFFFAOYSA-N 0 0 152.218 2.425 10 30 AEEERN C#CCNc1ccc(Cl)nc1C 235805114 344767551 /nfs/dbraw/zinc/76/75/51/344767551.db2.gz PEDPZXBUMZXQKD-UHFFFAOYSA-N 0 0 180.638 2.089 10 30 AEEERN Cc1coc(SCCCC#N)n1 235815574 344767684 /nfs/dbraw/zinc/76/76/84/344767684.db2.gz HCUGARWVIHDPQN-UHFFFAOYSA-N 0 0 182.248 2.379 10 30 AEEERN C#CCNc1cc(C)cnc1Cl 235812728 344767798 /nfs/dbraw/zinc/76/77/98/344767798.db2.gz ABLVTJMMUQEHJJ-UHFFFAOYSA-N 0 0 180.638 2.089 10 30 AEEERN C#CCCC(=O)c1cnc(C)s1 235814471 344767813 /nfs/dbraw/zinc/76/78/13/344767813.db2.gz IMYWJDZDKBUJNO-UHFFFAOYSA-N 0 0 179.244 2.048 10 30 AEEERN C=CC(=O)c1sc(C)nc1C 235825877 344768180 /nfs/dbraw/zinc/76/81/80/344768180.db2.gz ZIHXRDVPDXFHPA-UHFFFAOYSA-N 0 0 167.233 2.129 10 30 AEEERN Cc1occc1SC[C@@H]1CO1 235824753 344768189 /nfs/dbraw/zinc/76/81/89/344768189.db2.gz AXCGQFCJQNYWNQ-ZETCQYMHSA-N 0 0 170.233 2.079 10 30 AEEERN Cc1occc1SC[C@H]1CO1 235827909 344768206 /nfs/dbraw/zinc/76/82/06/344768206.db2.gz AXCGQFCJQNYWNQ-SSDOTTSWSA-N 0 0 170.233 2.079 10 30 AEEERN C#CCCC(=O)c1sc(C)nc1C 235826016 344768213 /nfs/dbraw/zinc/76/82/13/344768213.db2.gz IDXABFJAGWLABS-UHFFFAOYSA-N 0 0 193.271 2.356 10 30 AEEERN Cc1cc(Cl)ccc1[C@@H](O)CC=O 235854165 344769227 /nfs/dbraw/zinc/76/92/27/344769227.db2.gz WCCABSIKQQCJHT-JTQLQIEISA-N 0 0 198.649 2.271 10 30 AEEERN Cc1ccc(F)c([C@@H]2CO2)c1 235860813 344769242 /nfs/dbraw/zinc/76/92/42/344769242.db2.gz SRYWYIGEUGITBS-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN Cc1cc(C)c(C[C@H]2CO2)c(F)c1 235863569 344769250 /nfs/dbraw/zinc/76/92/50/344769250.db2.gz TZOHGEFJUPRVBO-VIFPVBQESA-N 0 0 180.222 2.384 10 30 AEEERN Cc1cc(C)c(C[C@@H]2CO2)c(F)c1 235856661 344769293 /nfs/dbraw/zinc/76/92/93/344769293.db2.gz TZOHGEFJUPRVBO-SECBINFHSA-N 0 0 180.222 2.384 10 30 AEEERN CNc1c(Cl)cccc1C#N 238323178 344800637 /nfs/dbraw/zinc/80/06/37/344800637.db2.gz JUYYLJFDGUKUEC-UHFFFAOYSA-N 0 0 166.611 2.253 10 30 AEEERN Cc1coc(SC2=CC(=O)CC2)n1 235931275 344769977 /nfs/dbraw/zinc/76/99/77/344769977.db2.gz KRESIBUYONAWMU-UHFFFAOYSA-N 0 0 195.243 2.322 10 30 AEEERN Cc1cccc(NC2(C#N)CC2)c1 235929732 344770021 /nfs/dbraw/zinc/77/00/21/344770021.db2.gz HWHZUZDHGGNYDW-UHFFFAOYSA-N 0 0 172.231 2.463 10 30 AEEERN O=C(C1=CCCO1)c1ccoc1Cl 236035512 344771499 /nfs/dbraw/zinc/77/14/99/344771499.db2.gz DMVPIPKBVVRGQJ-UHFFFAOYSA-N 0 0 198.605 2.420 10 30 AEEERN N#CCNc1ccc(C#N)cc1Cl 236028843 344771530 /nfs/dbraw/zinc/77/15/30/344771530.db2.gz MLBIJVXRIOUQMM-UHFFFAOYSA-N 0 0 191.621 2.147 10 30 AEEERN C=C=CC(=O)c1ccoc1Cl 236035659 344771692 /nfs/dbraw/zinc/77/16/92/344771692.db2.gz YLPFDMOZEQIQHT-UHFFFAOYSA-N 0 0 168.579 2.139 10 30 AEEERN C#CCCOc1nc(Cl)cs1 236040570 344771724 /nfs/dbraw/zinc/77/17/24/344771724.db2.gz IYXPPKJLXCBNJU-UHFFFAOYSA-N 0 0 187.651 2.199 10 30 AEEERN C=C=CC(=O)c1ccc(Cl)o1 236042430 344771728 /nfs/dbraw/zinc/77/17/28/344771728.db2.gz HBTSFCNEVWODEP-UHFFFAOYSA-N 0 0 168.579 2.139 10 30 AEEERN C=CC(=O)c1ccoc1Cl 236035633 344771764 /nfs/dbraw/zinc/77/17/64/344771764.db2.gz FBVKGHFTYOBIQT-UHFFFAOYSA-N 0 0 156.568 2.302 10 30 AEEERN C=CC(=O)c1ncccc1Cl 236036402 344771802 /nfs/dbraw/zinc/77/18/02/344771802.db2.gz VRSFZXGJOGBTCR-UHFFFAOYSA-N 0 0 167.595 2.104 10 30 AEEERN C=CC(=O)Cc1ccncc1Cl 236057056 344772084 /nfs/dbraw/zinc/77/20/84/344772084.db2.gz FDVYOOCKYDEVRC-UHFFFAOYSA-N 0 0 181.622 2.033 10 30 AEEERN C=CCC(=O)Nc1ccc(Cl)nc1 236054534 344772150 /nfs/dbraw/zinc/77/21/50/344772150.db2.gz XIERBKIABUHZMB-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN O=C(C1=CCCO1)c1ccc(Cl)o1 236055667 344772182 /nfs/dbraw/zinc/77/21/82/344772182.db2.gz KZACRTBSGZNERB-UHFFFAOYSA-N 0 0 198.605 2.420 10 30 AEEERN C=CCC(=O)Nc1cccnc1Cl 236057817 344772280 /nfs/dbraw/zinc/77/22/80/344772280.db2.gz RUSWERRDNOOPSR-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN O=C(C1=CCCCC1)C(F)F 236124738 344774680 /nfs/dbraw/zinc/77/46/80/344774680.db2.gz RCRVJVKIKHZWKE-UHFFFAOYSA-N 0 0 160.163 2.321 10 30 AEEERN N#Cc1cccc2c1ccn2CCF 236125024 344774703 /nfs/dbraw/zinc/77/47/03/344774703.db2.gz QOJMIRSWCHWPIG-UHFFFAOYSA-N 0 0 188.205 2.482 10 30 AEEERN C#CC(=O)[C@H]1CCCC[C@H]1C 238454285 344807444 /nfs/dbraw/zinc/80/74/44/344807444.db2.gz BZNHQXLQMOWFNX-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN C#Cc1cnc(C(F)(F)F)s1 236132427 344775059 /nfs/dbraw/zinc/77/50/59/344775059.db2.gz YPQGMEAUSIQPEX-UHFFFAOYSA-N 0 0 177.150 2.143 10 30 AEEERN N#CCn1ccc2cc(C#N)ccc21 236155725 344775880 /nfs/dbraw/zinc/77/58/80/344775880.db2.gz ABOXLXQGMGCDRB-UHFFFAOYSA-N 0 0 181.198 2.037 10 30 AEEERN C=CC(=O)c1cc(F)c(F)cc1F 236156533 344775885 /nfs/dbraw/zinc/77/58/85/344775885.db2.gz IIYVIZZJDWCMQR-UHFFFAOYSA-N 0 0 186.132 2.473 10 30 AEEERN N#CC1(NC2CCCCCC2)CC1 236157402 344775914 /nfs/dbraw/zinc/77/59/14/344775914.db2.gz UWBXQXYIOCSGSN-UHFFFAOYSA-N 0 0 178.279 2.355 10 30 AEEERN N#CC1(Nc2cccc(F)c2)CC1 236152758 344776029 /nfs/dbraw/zinc/77/60/29/344776029.db2.gz DUQLUKAJNUSUPF-UHFFFAOYSA-N 0 0 176.194 2.294 10 30 AEEERN N#CCCCSC[C@@H]1CCCO1 236174893 344776217 /nfs/dbraw/zinc/77/62/17/344776217.db2.gz AIJYOTYKMGYSFT-VIFPVBQESA-N 0 0 185.292 2.202 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1Sc1ncco1 236176366 344776629 /nfs/dbraw/zinc/77/66/29/344776629.db2.gz FIYFIGYAEILMKW-YUMQZZPRSA-N 0 0 194.259 2.459 10 30 AEEERN N#C[C@@H]1CCC[C@H]1Sc1ncc[nH]1 236178190 344776767 /nfs/dbraw/zinc/77/67/67/344776767.db2.gz GRFYAPDSWJNFSP-JGVFFNPUSA-N 0 0 193.275 2.194 10 30 AEEERN N#CCCCSC[C@H]1CCCO1 236174981 344776772 /nfs/dbraw/zinc/77/67/72/344776772.db2.gz AIJYOTYKMGYSFT-SECBINFHSA-N 0 0 185.292 2.202 10 30 AEEERN N#CC1(Nc2ccc(F)cc2)CC1 236187520 344777073 /nfs/dbraw/zinc/77/70/73/344777073.db2.gz KOTGQHOKVJAPTE-UHFFFAOYSA-N 0 0 176.194 2.294 10 30 AEEERN N#Cc1cc(NC2CC2)ccc1F 236187960 344777075 /nfs/dbraw/zinc/77/70/75/344777075.db2.gz CXVCIXWKOJELDG-UHFFFAOYSA-N 0 0 176.194 2.272 10 30 AEEERN N#CC1(Nc2ccccc2F)CC1 236205741 344777541 /nfs/dbraw/zinc/77/75/41/344777541.db2.gz WOGRLQZTRRDFPO-UHFFFAOYSA-N 0 0 176.194 2.294 10 30 AEEERN N#Cc1ncccc1OCCC1CC1 236218739 344777801 /nfs/dbraw/zinc/77/78/01/344777801.db2.gz OSDKHWRCAMWXKS-UHFFFAOYSA-N 0 0 188.230 2.132 10 30 AEEERN N#C[C@H]1CCC[C@@H]1Sc1ncco1 236220565 344777858 /nfs/dbraw/zinc/77/78/58/344777858.db2.gz FIYFIGYAEILMKW-SFYZADRCSA-N 0 0 194.259 2.459 10 30 AEEERN N#C[C@H]1CCC[C@H]1Sc1ncco1 236222373 344777875 /nfs/dbraw/zinc/77/78/75/344777875.db2.gz FIYFIGYAEILMKW-HTQZYQBOSA-N 0 0 194.259 2.459 10 30 AEEERN N#CCNc1ccc2ncsc2c1 236211263 344777878 /nfs/dbraw/zinc/77/78/78/344777878.db2.gz AHGCNEQACBHVLM-UHFFFAOYSA-N 0 0 189.243 2.232 10 30 AEEERN Fc1ccc2c(c1)N(CCS)CC2 236216536 344777892 /nfs/dbraw/zinc/77/78/92/344777892.db2.gz PTKPVGVYVIYOFO-UHFFFAOYSA-N 0 0 197.278 2.118 10 30 AEEERN N#C[C@H]1CCC[C@@H]1Sc1ncc[nH]1 236220487 344777921 /nfs/dbraw/zinc/77/79/21/344777921.db2.gz GRFYAPDSWJNFSP-SFYZADRCSA-N 0 0 193.275 2.194 10 30 AEEERN N#Cc1ccc(NC2CC2)cc1C#N 236244405 344778154 /nfs/dbraw/zinc/77/81/54/344778154.db2.gz VHTZQIMWWSTSOD-UHFFFAOYSA-N 0 0 183.214 2.004 10 30 AEEERN C=C(Cl)CNc1ccc(N)c(N)c1 236350118 344782277 /nfs/dbraw/zinc/78/22/77/344782277.db2.gz LTMRWUXEIMTLFG-UHFFFAOYSA-N 0 0 197.669 2.015 10 30 AEEERN N#Cc1sc(NC2CCC2)cc1N 236355187 344782630 /nfs/dbraw/zinc/78/26/30/344782630.db2.gz QREMYFUVOHIPFR-UHFFFAOYSA-N 0 0 193.275 2.166 10 30 AEEERN N#Cc1sc(NCC2CC2)cc1N 236356786 344782670 /nfs/dbraw/zinc/78/26/70/344782670.db2.gz RMAGLDRKDQATBL-UHFFFAOYSA-N 0 0 193.275 2.024 10 30 AEEERN C=CCNc1snc(N)c1C1CC1 236371664 344783196 /nfs/dbraw/zinc/78/31/96/344783196.db2.gz OAMXNTITSOKLKC-UHFFFAOYSA-N 0 0 195.291 2.201 10 30 AEEERN O=C(Cc1nccs1)C1=CCCC1 236389837 344783816 /nfs/dbraw/zinc/78/38/16/344783816.db2.gz CLAJTBTYLKGNJY-UHFFFAOYSA-N 0 0 193.271 2.365 10 30 AEEERN O=C(C1=CCCCC1)c1csnn1 236393019 344783875 /nfs/dbraw/zinc/78/38/75/344783875.db2.gz YYGPGNUNUXMBQU-UHFFFAOYSA-N 0 0 194.259 2.221 10 30 AEEERN O=C(C1=CCCCC1)C1=CCCO1 236392739 344783930 /nfs/dbraw/zinc/78/39/30/344783930.db2.gz KAJFPUXMUPHTFE-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN O=C(C1=CCCCC1)c1ncc[nH]1 236393024 344783993 /nfs/dbraw/zinc/78/39/93/344783993.db2.gz CLYZXWDEFJFBQB-UHFFFAOYSA-N 0 0 176.219 2.093 10 30 AEEERN O=C(C1=CCCCC1)c1cnns1 236392995 344784047 /nfs/dbraw/zinc/78/40/47/344784047.db2.gz ZPXIXJJPIBLTHH-UHFFFAOYSA-N 0 0 194.259 2.221 10 30 AEEERN C#CC(=O)C1=CCCCCC1 236390942 344784072 /nfs/dbraw/zinc/78/40/72/344784072.db2.gz WVZBQCIEQNNWIL-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN O=C(C1=CCCCC1)c1ncccn1 236393040 344784113 /nfs/dbraw/zinc/78/41/13/344784113.db2.gz RPOVIMMSBZVOJG-UHFFFAOYSA-N 0 0 188.230 2.160 10 30 AEEERN O=C(C1=CCCCC1)c1cnsn1 236393002 344784117 /nfs/dbraw/zinc/78/41/17/344784117.db2.gz ZDNATCCCSUMYGX-UHFFFAOYSA-N 0 0 194.259 2.221 10 30 AEEERN C=C=CC(=O)C=C1CCCCC1 236405654 344784368 /nfs/dbraw/zinc/78/43/68/344784368.db2.gz ANNIFUJKCGGHDY-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN O=C1C=C(Sc2ncco2)CC1 236401208 344784383 /nfs/dbraw/zinc/78/43/83/344784383.db2.gz WRNANLQGQODZEM-UHFFFAOYSA-N 0 0 181.216 2.014 10 30 AEEERN C#CC(=O)C=C1CCCCC1 236405110 344784395 /nfs/dbraw/zinc/78/43/95/344784395.db2.gz HYGKCZYYXQXWCP-UHFFFAOYSA-N 0 0 148.205 2.079 10 30 AEEERN C=C=CC(=O)C1=CCCCCC1 236405598 344784443 /nfs/dbraw/zinc/78/44/43/344784443.db2.gz AUHAMZLHEJOHLH-UHFFFAOYSA-N 0 0 162.232 2.469 10 30 AEEERN O=C(Cc1ccncc1)C1=CCCC1 236403833 344784472 /nfs/dbraw/zinc/78/44/72/344784472.db2.gz MCNPBFMUKLKKRQ-UHFFFAOYSA-N 0 0 187.242 2.304 10 30 AEEERN N#Cc1ccc2ccn(CCC=O)c2c1 236417216 344785574 /nfs/dbraw/zinc/78/55/74/344785574.db2.gz WQKIXRIHLRVNMU-UHFFFAOYSA-N 0 0 198.225 2.102 10 30 AEEERN C=CCCCCCSCCO 236490741 344786781 /nfs/dbraw/zinc/78/67/81/344786781.db2.gz AEZNNXUGXCBVPO-UHFFFAOYSA-N 0 0 174.309 2.458 10 30 AEEERN N#CC1(OCCO)CCCCCCC1 236510288 344786995 /nfs/dbraw/zinc/78/69/95/344786995.db2.gz SMMKZHVOQJFOEK-UHFFFAOYSA-N 0 0 197.278 2.002 10 30 AEEERN N#CC[C@H](O)c1ccc(F)cc1Cl 236511705 344787155 /nfs/dbraw/zinc/78/71/55/344787155.db2.gz JJBJAMCNFFCBHV-VIFPVBQESA-N 0 0 199.612 2.426 10 30 AEEERN N#CC[C@@H](O)c1ccc(F)cc1Cl 236554279 344788643 /nfs/dbraw/zinc/78/86/43/344788643.db2.gz JJBJAMCNFFCBHV-SECBINFHSA-N 0 0 199.612 2.426 10 30 AEEERN C=C[C@@H](O)c1cc(F)c(F)cc1F 236548076 344788698 /nfs/dbraw/zinc/78/86/98/344788698.db2.gz XXIPSXPYZZTYMM-SECBINFHSA-N 0 0 188.148 2.323 10 30 AEEERN C=C[C@H](O)c1cc(F)c(F)cc1F 236546075 344788790 /nfs/dbraw/zinc/78/87/90/344788790.db2.gz XXIPSXPYZZTYMM-VIFPVBQESA-N 0 0 188.148 2.323 10 30 AEEERN O=C(CCS)Nc1ccsc1 236571716 344789259 /nfs/dbraw/zinc/78/92/59/344789259.db2.gz UZTVZYIQMLNYNP-UHFFFAOYSA-N 0 0 187.289 2.007 10 30 AEEERN N#Cc1cc(-c2ccc[nH]2)ccc1O 236602173 344790587 /nfs/dbraw/zinc/79/05/87/344790587.db2.gz WINOIPDKLFAYFK-UHFFFAOYSA-N 0 0 184.198 2.259 10 30 AEEERN C/C=C/C(=O)CCCCCCO 237992594 344791424 /nfs/dbraw/zinc/79/14/24/344791424.db2.gz PBSBMNJTTYJLCQ-FARCUNLSSA-N 0 0 170.252 2.074 10 30 AEEERN C#Cc1nc2ccccc2cc1C#N 238009411 344791505 /nfs/dbraw/zinc/79/15/05/344791505.db2.gz FEBLWRJCJPEMLT-UHFFFAOYSA-N 0 0 178.194 2.088 10 30 AEEERN C(=N/CCc1ccccn1)\c1ccc[nH]1 238014634 344791546 /nfs/dbraw/zinc/79/15/46/344791546.db2.gz RTZGIOLJETWOSH-JLHYYAGUSA-N 0 0 199.257 2.071 10 30 AEEERN C=C=CC(=O)C1=CCCCC1 238033466 344791591 /nfs/dbraw/zinc/79/15/91/344791591.db2.gz BYIHVZNZDSHTJL-UHFFFAOYSA-N 0 0 148.205 2.397 10 30 AEEERN CC#C[C@@H](O)[C@@H](C)c1ccccc1 238041948 344792088 /nfs/dbraw/zinc/79/20/88/344792088.db2.gz BJLCKEFBRUACSO-CMPLNLGQSA-N 0 0 174.243 2.174 10 30 AEEERN C=CCC(=O)[C@H]1CC=CCC1 238046751 344791951 /nfs/dbraw/zinc/79/19/51/344791951.db2.gz WAMVKUXPJDBBHZ-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CC#C[C@@H]1CCCC[C@H]1C(C)=O 238043155 344791962 /nfs/dbraw/zinc/79/19/62/344791962.db2.gz RVIUFFGPBSUNNV-MNOVXSKESA-N 0 0 164.248 2.405 10 30 AEEERN C=CCCCCCC[C@]1(C=O)CO1 238052873 344792004 /nfs/dbraw/zinc/79/20/04/344792004.db2.gz SWBLMFXRSUOPFE-NSHDSACASA-N 0 0 182.263 2.481 10 30 AEEERN C=CCC(=O)[C@@H]1CC=CCC1 238046944 344792024 /nfs/dbraw/zinc/79/20/24/344792024.db2.gz WAMVKUXPJDBBHZ-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN C=CC(=O)C[C@H]1CC=CCC1 238037398 344792038 /nfs/dbraw/zinc/79/20/38/344792038.db2.gz CXDPFDRYWZCDKB-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN C=CC(=O)C[C@@H]1CC=CCC1 238037607 344792046 /nfs/dbraw/zinc/79/20/46/344792046.db2.gz CXDPFDRYWZCDKB-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN CC#C[C@H](O)[C@H](C)c1ccccc1 238048422 344792068 /nfs/dbraw/zinc/79/20/68/344792068.db2.gz BJLCKEFBRUACSO-PWSUYJOCSA-N 0 0 174.243 2.174 10 30 AEEERN CC#C[C@H](O)c1ccccc1C 238048647 344792087 /nfs/dbraw/zinc/79/20/87/344792087.db2.gz QQNOXKRZOLSTJR-NSHDSACASA-N 0 0 160.216 2.052 10 30 AEEERN CC#C[C@@H](C)[C@@H](O)CC(C)C 238039622 344792117 /nfs/dbraw/zinc/79/21/17/344792117.db2.gz MJMSVWJJZCYKSB-ZJUUUORDSA-N 0 0 154.253 2.053 10 30 AEEERN CC#C[C@@H](C)[C@@H](O)c1ccccc1 238039660 344792126 /nfs/dbraw/zinc/79/21/26/344792126.db2.gz HRNDGEKTVWPOFW-ZYHUDNBSSA-N 0 0 174.243 2.379 10 30 AEEERN CC#C[C@H](O)[C@@H](C)c1ccccc1 238048320 344792140 /nfs/dbraw/zinc/79/21/40/344792140.db2.gz BJLCKEFBRUACSO-JQWIXIFHSA-N 0 0 174.243 2.174 10 30 AEEERN CC#C[C@H]1CCCC[C@H]1C(C)=O 238049224 344792149 /nfs/dbraw/zinc/79/21/49/344792149.db2.gz RVIUFFGPBSUNNV-QWRGUYRKSA-N 0 0 164.248 2.405 10 30 AEEERN CC#C[C@@H](O)c1ccccc1C 238042381 344792152 /nfs/dbraw/zinc/79/21/52/344792152.db2.gz QQNOXKRZOLSTJR-LLVKDONJSA-N 0 0 160.216 2.052 10 30 AEEERN CC#C[C@@H](O)[C@H](C)c1ccccc1 238042082 344792164 /nfs/dbraw/zinc/79/21/64/344792164.db2.gz BJLCKEFBRUACSO-ZYHUDNBSSA-N 0 0 174.243 2.174 10 30 AEEERN CC#C[C@H]1CCCC[C@@H]1C(C)=O 238049194 344792166 /nfs/dbraw/zinc/79/21/66/344792166.db2.gz RVIUFFGPBSUNNV-WDEREUQCSA-N 0 0 164.248 2.405 10 30 AEEERN CC#C[C@@H]1CCCC[C@@H]1C(C)=O 238043121 344792219 /nfs/dbraw/zinc/79/22/19/344792219.db2.gz RVIUFFGPBSUNNV-GHMZBOCLSA-N 0 0 164.248 2.405 10 30 AEEERN C=CCOC1(C#CC=O)CCCCC1 238079111 344792440 /nfs/dbraw/zinc/79/24/40/344792440.db2.gz VYPUROUOZOFADK-UHFFFAOYSA-N 0 0 192.258 2.094 10 30 AEEERN C=C(C)C(=O)C#Cc1ccccc1 238059298 344792442 /nfs/dbraw/zinc/79/24/42/344792442.db2.gz HTICZVYVROMIFJ-UHFFFAOYSA-N 0 0 170.211 2.183 10 30 AEEERN C=CCOCc1ccc([N+](=O)[O-])cc1 238080381 344792462 /nfs/dbraw/zinc/79/24/62/344792462.db2.gz JREDFSQATRMZQG-UHFFFAOYSA-N 0 0 193.202 2.297 10 30 AEEERN CC(C)(C)[C@H]1CCC[C@@H](C=O)O1 238090986 344792465 /nfs/dbraw/zinc/79/24/65/344792465.db2.gz YBLZOSHPFRXCEW-DTWKUNHWSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(C)C(=O)c1ccc(C#N)cc1 238068471 344792506 /nfs/dbraw/zinc/79/25/06/344792506.db2.gz WHPDFXNKPSGUFI-UHFFFAOYSA-N 0 0 171.199 2.317 10 30 AEEERN CC(C)(C)[C@H]1CCC[C@H](C=O)O1 238091541 344792533 /nfs/dbraw/zinc/79/25/33/344792533.db2.gz YBLZOSHPFRXCEW-RKDXNWHRSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(C)CCCC#CCCO 238079985 344792553 /nfs/dbraw/zinc/79/25/53/344792553.db2.gz BSBAGPBTRYGOEL-UHFFFAOYSA-N 0 0 152.237 2.119 10 30 AEEERN C=C(CCc1ccccc1)NC(C)=O 238063789 344792675 /nfs/dbraw/zinc/79/26/75/344792675.db2.gz CCBJBHHQODHNOB-UHFFFAOYSA-N 0 0 189.258 2.269 10 30 AEEERN C=C1CCCC[C@@H](O)/C1=C/C 238075712 344792721 /nfs/dbraw/zinc/79/27/21/344792721.db2.gz JRFRQOVYVYRIDA-OTVCUZDGSA-N 0 0 152.237 2.424 10 30 AEEERN C=C(C)CCOC1=CC(=O)CC1 238083123 344792750 /nfs/dbraw/zinc/79/27/50/344792750.db2.gz JUIGOJNTKQHFCY-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C=C1CCCC[C@H](O)/C1=C/C 238073820 344792760 /nfs/dbraw/zinc/79/27/60/344792760.db2.gz JRFRQOVYVYRIDA-RZCNENHTSA-N 0 0 152.237 2.424 10 30 AEEERN CC(=O)[C@](C)(C#N)[C@H]1C=CCCC1 238096561 344793091 /nfs/dbraw/zinc/79/30/91/344793091.db2.gz XWSVBOIBCIIFBH-QWRGUYRKSA-N 0 0 177.247 2.462 10 30 AEEERN CC(=O)[C@](C)(C#N)[C@@H]1C=CCCC1 238096582 344793274 /nfs/dbraw/zinc/79/32/74/344793274.db2.gz XWSVBOIBCIIFBH-MNOVXSKESA-N 0 0 177.247 2.462 10 30 AEEERN C=CC(=O)CC(C)(C)Cl 238132166 344793601 /nfs/dbraw/zinc/79/36/01/344793601.db2.gz OHYHMGNUPWTBCR-UHFFFAOYSA-N 0 0 146.617 2.149 10 30 AEEERN C=C(C)[C@@H](O)C(F)(F)C(F)(F)F 238114643 344793675 /nfs/dbraw/zinc/79/36/75/344793675.db2.gz HKHMAHDHIQPJAQ-SCSAIBSYSA-N 0 0 190.111 2.121 10 30 AEEERN CC(C)(C)c1ccnc(CC#N)c1 238128164 344793705 /nfs/dbraw/zinc/79/37/05/344793705.db2.gz UBSINQHLQKMJNI-UHFFFAOYSA-N 0 0 174.247 2.445 10 30 AEEERN C=C(C)[C@H](O)C(F)(F)C(F)(F)F 238139989 344793843 /nfs/dbraw/zinc/79/38/43/344793843.db2.gz HKHMAHDHIQPJAQ-BYPYZUCNSA-N 0 0 190.111 2.121 10 30 AEEERN CC(C)(C)[C@@H]1CCC[C@@H](C=O)O1 238153544 344793937 /nfs/dbraw/zinc/79/39/37/344793937.db2.gz YBLZOSHPFRXCEW-IUCAKERBSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(C#CCCC(C)C)CCO 238134751 344793990 /nfs/dbraw/zinc/79/39/90/344793990.db2.gz NIDLNFGGUGFJPP-UHFFFAOYSA-N 0 0 166.264 2.365 10 30 AEEERN CC(C)(C)CCC[NH2+]CCC#N 238147199 344794087 /nfs/dbraw/zinc/79/40/87/344794087.db2.gz CTLWSIGUMIDBEK-UHFFFAOYSA-N 0 0 168.284 2.316 10 30 AEEERN C=C(C)c1ccc(F)cc1N 238157886 344794665 /nfs/dbraw/zinc/79/46/65/344794665.db2.gz UTRYPCVEYZJLGV-UHFFFAOYSA-N 0 0 151.184 2.441 10 30 AEEERN CC(C)C[C@@H](C)n1cc(C#N)cn1 238173659 344794853 /nfs/dbraw/zinc/79/48/53/344794853.db2.gz WPHUBEFEYWJCDI-SECBINFHSA-N 0 0 177.251 2.362 10 30 AEEERN CCCCN/C(=N/O)c1ccccc1 238207462 344795707 /nfs/dbraw/zinc/79/57/07/344795707.db2.gz RXAXYDIHFXRRHE-UHFFFAOYSA-N 0 0 192.262 2.212 10 30 AEEERN CCCCCC[C@@H](O)C#COCC 238209158 344795788 /nfs/dbraw/zinc/79/57/88/344795788.db2.gz KACHURMPEMQOQJ-LLVKDONJSA-N 0 0 184.279 2.315 10 30 AEEERN CC1(C)CCc2ccc(O)cc2O1 238209410 344795814 /nfs/dbraw/zinc/79/58/14/344795814.db2.gz SSSPXBLGHIRINO-UHFFFAOYSA-N 0 0 178.231 2.359 10 30 AEEERN C=CCC(CC)(CC)CO 238210192 344795947 /nfs/dbraw/zinc/79/59/47/344795947.db2.gz AFONSRVDBRUZAT-UHFFFAOYSA-N 0 0 142.242 2.361 10 30 AEEERN CCC(CC)Cn1cc(C#N)cn1 238229302 344796597 /nfs/dbraw/zinc/79/65/97/344796597.db2.gz PTADWZCMNXIEFX-UHFFFAOYSA-N 0 0 177.251 2.191 10 30 AEEERN CC1(C)COc2cc(CC=O)ccc21 238230051 344796683 /nfs/dbraw/zinc/79/66/83/344796683.db2.gz XKQFPSRHXAJACT-UHFFFAOYSA-N 0 0 190.242 2.098 10 30 AEEERN C=C[C@@H]1CC[C@@H](O)[C@@H](OCCC)C1 238252337 344797208 /nfs/dbraw/zinc/79/72/08/344797208.db2.gz WBKSXWUCPDFXMN-MXWKQRLJSA-N 0 0 184.279 2.129 10 30 AEEERN C=C[C@@H](O)[C@H]1C=C(C)CCC1 238254475 344797404 /nfs/dbraw/zinc/79/74/04/344797404.db2.gz TZBSJLDECKUEIR-NXEZZACHSA-N 0 0 152.237 2.280 10 30 AEEERN CCC[C@@H](O)C#Cc1ccsc1 238253147 344797438 /nfs/dbraw/zinc/79/74/38/344797438.db2.gz RVGVVQVMMWKRLV-SNVBAGLBSA-N 0 0 180.272 2.261 10 30 AEEERN C=CCS[C@@H](C)CC(=O)OCC 238251660 344797452 /nfs/dbraw/zinc/79/74/52/344797452.db2.gz IAZSWYQZZYVMDM-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN C=C[C@@H]1CC[C@H](O)[C@@H](OCCC)C1 238252323 344797478 /nfs/dbraw/zinc/79/74/78/344797478.db2.gz WBKSXWUCPDFXMN-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN C=C[C@H](O)[C@H]1C=C(C)CCC1 238254437 344797518 /nfs/dbraw/zinc/79/75/18/344797518.db2.gz TZBSJLDECKUEIR-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN CCOc1cc(C#N)c(F)cc1C 238260298 344797727 /nfs/dbraw/zinc/79/77/27/344797727.db2.gz IBGLLAYSEDZNGT-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCC[C@H](S)CC(C)=O 238268621 344797971 /nfs/dbraw/zinc/79/79/71/344797971.db2.gz SMMYHWPJPFCRLH-ZETCQYMHSA-N 0 0 146.255 2.064 10 30 AEEERN CCOc1cc(F)c(F)cc1CC#N 238266419 344798088 /nfs/dbraw/zinc/79/80/88/344798088.db2.gz ISICSTMIIWEMKP-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN CC[C@@H](c1ccccc1C#N)[C@H](C)O 238279972 344798508 /nfs/dbraw/zinc/79/85/08/344798508.db2.gz CZMXCDPOPDZOMD-GXSJLCMTSA-N 0 0 189.258 2.433 10 30 AEEERN CCc1ccc(F)c(F)c1C#N 238276432 344798554 /nfs/dbraw/zinc/79/85/54/344798554.db2.gz PDJTUHXPAIKECP-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CC[C@@]1(C(=O)c2ccccc2)CO1 238286457 344799088 /nfs/dbraw/zinc/79/90/88/344799088.db2.gz UVYDFSLVADXYRG-NSHDSACASA-N 0 0 176.215 2.048 10 30 AEEERN C=CCS[C@H](C)CC(=O)OCC 238296683 344799496 /nfs/dbraw/zinc/79/94/96/344799496.db2.gz IAZSWYQZZYVMDM-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN CC[C@H](O)/C=C/C#C[Si](C)(C)C 238302094 344799937 /nfs/dbraw/zinc/79/99/37/344799937.db2.gz NIAIYXCEBFOTTH-PCGIRMHASA-N 0 0 182.339 2.194 10 30 AEEERN CC[C@]1(C(=O)c2ccccc2)CO1 238316437 344800097 /nfs/dbraw/zinc/80/00/97/344800097.db2.gz UVYDFSLVADXYRG-LLVKDONJSA-N 0 0 176.215 2.048 10 30 AEEERN CCc1cc(C#N)cc(F)c1F 238312388 344800145 /nfs/dbraw/zinc/80/01/45/344800145.db2.gz KVHJALDBGHANPU-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CCOc1c(C)cc(C#N)cc1C=O 238316822 344800313 /nfs/dbraw/zinc/80/03/13/344800313.db2.gz DYEHGEIEJVTWDA-UHFFFAOYSA-N 0 0 189.214 2.078 10 30 AEEERN CCc1cc(CO)cc(CC)c1C#N 238324157 344800902 /nfs/dbraw/zinc/80/09/02/344800902.db2.gz XKBLPDNTQUNCCM-UHFFFAOYSA-N 0 0 189.258 2.175 10 30 AEEERN CCc1cc(F)c(F)c(C#N)c1 238328762 344801077 /nfs/dbraw/zinc/80/10/77/344801077.db2.gz DVBCOKKORSTWMS-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CCc1cnc(Cl)cc1C#N 238323773 344801100 /nfs/dbraw/zinc/80/11/00/344801100.db2.gz KZFFZOQDQZZAMG-UHFFFAOYSA-N 0 0 166.611 2.169 10 30 AEEERN COc1ccc(C#N)c(OC(F)F)c1 238341206 344801768 /nfs/dbraw/zinc/80/17/68/344801768.db2.gz CGLITHHJIIGJIA-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN CCc1cc(C#N)c(F)c(OC)c1 238338027 344801925 /nfs/dbraw/zinc/80/19/25/344801925.db2.gz OJIJFIZCAJRPLI-UHFFFAOYSA-N 0 0 179.194 2.268 10 30 AEEERN COc1ccc(C)c(C#N)c1C 238361495 344803146 /nfs/dbraw/zinc/80/31/46/344803146.db2.gz UQXKXSVWWADJTM-UHFFFAOYSA-N 0 0 161.204 2.184 10 30 AEEERN COc1cc(C)cc(C#N)c1F 238373061 344803558 /nfs/dbraw/zinc/80/35/58/344803558.db2.gz FMPFEJCDFPMHIL-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN C=C[C@H](C)[C@H]1CCCC[C@H]1O 238374474 344803960 /nfs/dbraw/zinc/80/39/60/344803960.db2.gz HZLDZDBVLZNKRU-IVZWLZJFSA-N 0 0 154.253 2.360 10 30 AEEERN COc1cccc(OC(F)F)c1C#N 238383517 344804215 /nfs/dbraw/zinc/80/42/15/344804215.db2.gz MQUIWSJHESGJPB-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN COc1ccc(OC(F)F)c(C#N)c1 238385079 344804283 /nfs/dbraw/zinc/80/42/83/344804283.db2.gz IMFQSRRQXYVFMO-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN COc1cccc(OCCCC=O)c1 238385446 344804613 /nfs/dbraw/zinc/80/46/13/344804613.db2.gz IPUGNOAHRBSYRS-UHFFFAOYSA-N 0 0 194.230 2.053 10 30 AEEERN CS[C@H](C)CCC#N 238392255 344804863 /nfs/dbraw/zinc/80/48/63/344804863.db2.gz FOTGFNGOXMEVDP-ZCFIWIBFSA-N 0 0 129.228 2.042 10 30 AEEERN C=C1C[C@@H](O)c2cc(OC)ccc21 238393509 344804884 /nfs/dbraw/zinc/80/48/84/344804884.db2.gz SOWKPQFFJUPUMA-LLVKDONJSA-N 0 0 176.215 2.146 10 30 AEEERN C=C1C[C@H](O)c2cc(OC)ccc21 238393525 344805113 /nfs/dbraw/zinc/80/51/13/344805113.db2.gz SOWKPQFFJUPUMA-NSHDSACASA-N 0 0 176.215 2.146 10 30 AEEERN C[C@@H]1C[C@@H](C=O)c2ccccc21 238423063 344806142 /nfs/dbraw/zinc/80/61/42/344806142.db2.gz SJOCQKOHZOYNPF-BDAKNGLRSA-N 0 0 160.216 2.476 10 30 AEEERN C[C@H](C=O)Oc1ccc2c(c1)CCC2 238419299 344806177 /nfs/dbraw/zinc/80/61/77/344806177.db2.gz FHZRCQUWLBZMJA-SECBINFHSA-N 0 0 190.242 2.142 10 30 AEEERN C[C@@H]1C=CC[C@@H](C)[C@@H]1C=O 238430391 344806386 /nfs/dbraw/zinc/80/63/86/344806386.db2.gz CJHVOGFYMKIUAW-IWSPIJDZSA-N 0 0 138.210 2.034 10 30 AEEERN C#CC(=O)[C@@H]1CCCC[C@@H]1C 238431268 344806514 /nfs/dbraw/zinc/80/65/14/344806514.db2.gz BZNHQXLQMOWFNX-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN C[C@H]1c2ccccc2C[C@@H]1C=O 238437119 344806711 /nfs/dbraw/zinc/80/67/11/344806711.db2.gz JHARVCAZIKGMPY-PSASIEDQSA-N 0 0 160.216 2.161 10 30 AEEERN COc1c(C#N)cccc1OC(F)F 238441210 344806725 /nfs/dbraw/zinc/80/67/25/344806725.db2.gz IVOSCWTXCDFRRH-UHFFFAOYSA-N 0 0 199.156 2.168 10 30 AEEERN C=CCC[C@@H](O)CC/C=C/OC 238435664 344806841 /nfs/dbraw/zinc/80/68/41/344806841.db2.gz KQLLUZMHTUTGOU-OLKPEBQYSA-N 0 0 170.252 2.254 10 30 AEEERN C=CCC[C@H](O)CC/C=C/OC 238435638 344806852 /nfs/dbraw/zinc/80/68/52/344806852.db2.gz KQLLUZMHTUTGOU-ZKXNXJMVSA-N 0 0 170.252 2.254 10 30 AEEERN Cc1cccc2c1C(=O)O[C@H]2CC#N 238449699 344807082 /nfs/dbraw/zinc/80/70/82/344807082.db2.gz XOVMJHUTDCUUNW-VIFPVBQESA-N 0 0 187.198 2.120 10 30 AEEERN C#CCCC(=O)[C@]1(C)C[C@H]1C 238444238 344807100 /nfs/dbraw/zinc/80/71/00/344807100.db2.gz CPCNNCGXKCSMET-PSASIEDQSA-N 0 0 150.221 2.015 10 30 AEEERN C[C@@H]1c2ccccc2C[C@@H]1C=O 238442874 344807107 /nfs/dbraw/zinc/80/71/07/344807107.db2.gz JHARVCAZIKGMPY-WCBMZHEXSA-N 0 0 160.216 2.161 10 30 AEEERN C[C@@H]1C[C@H](C=O)c2ccccc21 238450971 344807172 /nfs/dbraw/zinc/80/71/72/344807172.db2.gz SJOCQKOHZOYNPF-RKDXNWHRSA-N 0 0 160.216 2.476 10 30 AEEERN C[C@H]1c2ccccc2C[C@H]1C=O 238456642 344807499 /nfs/dbraw/zinc/80/74/99/344807499.db2.gz JHARVCAZIKGMPY-SCZZXKLOSA-N 0 0 160.216 2.161 10 30 AEEERN C[C@H](O)[C@@H](C)c1ccccc1C#N 238457174 344807507 /nfs/dbraw/zinc/80/75/07/344807507.db2.gz JFXJFHUPCZRJTN-BDAKNGLRSA-N 0 0 175.231 2.043 10 30 AEEERN C#CCCC(=O)[C@@]1(C)C[C@@H]1C 238456270 344807529 /nfs/dbraw/zinc/80/75/29/344807529.db2.gz CPCNNCGXKCSMET-WPRPVWTQSA-N 0 0 150.221 2.015 10 30 AEEERN Cc1ccc(C#N)c([C@H](C)[C@H](C)O)c1 238457077 344807545 /nfs/dbraw/zinc/80/75/45/344807545.db2.gz UJBXDBXKVISCFL-ZJUUUORDSA-N 0 0 189.258 2.351 10 30 AEEERN Cc1ccc([C@H](C)[C@H](C)O)c(C#N)c1 238457135 344807557 /nfs/dbraw/zinc/80/75/57/344807557.db2.gz ZCJRZJUQCHZPIR-ZJUUUORDSA-N 0 0 189.258 2.351 10 30 AEEERN Cc1ccc(OC(F)F)cc1C#N 238464138 344807920 /nfs/dbraw/zinc/80/79/20/344807920.db2.gz VLTKZSDATXWPSC-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN C#CCCC(=O)[C@@]1(C)C[C@H]1C 238466670 344807931 /nfs/dbraw/zinc/80/79/31/344807931.db2.gz CPCNNCGXKCSMET-SCZZXKLOSA-N 0 0 150.221 2.015 10 30 AEEERN C#CC(=O)[C@@H]1CCCC[C@H]1C 238462826 344807959 /nfs/dbraw/zinc/80/79/59/344807959.db2.gz BZNHQXLQMOWFNX-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN COc1cc(C#N)c(F)cc1C 238463289 344807990 /nfs/dbraw/zinc/80/79/90/344807990.db2.gz PQCNSXNSQNISCV-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN Cc1ccnc(CC#N)c1Cl 238468167 344808118 /nfs/dbraw/zinc/80/81/18/344808118.db2.gz RTKRQPYOMRQWRE-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN C[C@H](O)C#C[C@H](C)c1ccccc1 238478641 344808265 /nfs/dbraw/zinc/80/82/65/344808265.db2.gz XTTOOPPSXOGTDZ-QWRGUYRKSA-N 0 0 174.243 2.174 10 30 AEEERN C[C@H](O)C#C[C@@H](C)c1ccccc1 238478215 344808277 /nfs/dbraw/zinc/80/82/77/344808277.db2.gz XTTOOPPSXOGTDZ-MNOVXSKESA-N 0 0 174.243 2.174 10 30 AEEERN Cc1ncc(Cl)cc1CC#N 238476112 344808333 /nfs/dbraw/zinc/80/83/33/344808333.db2.gz KWPANTWIGAGPJH-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1c(Cl)cncc1CC#N 238476053 344808360 /nfs/dbraw/zinc/80/83/60/344808360.db2.gz YMJBODFARFXMNN-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1ccc(Cl)c(CC#N)n1 238479588 344808362 /nfs/dbraw/zinc/80/83/62/344808362.db2.gz KSZJPBGMXMOHFD-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1ccc2c(c1)[C@@H](CC#N)OC2=O 238488110 344809024 /nfs/dbraw/zinc/80/90/24/344809024.db2.gz NDTNDOVTYZUATJ-SNVBAGLBSA-N 0 0 187.198 2.120 10 30 AEEERN Cc1ccc(Cl)nc1CC#N 238488699 344809039 /nfs/dbraw/zinc/80/90/39/344809039.db2.gz CIWJXMKLEHQXMU-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1nccc(CC#N)c1Cl 238489280 344809049 /nfs/dbraw/zinc/80/90/49/344809049.db2.gz YUWZCZVXWKJISZ-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1ccc2c(c1)[C@H](CC#N)OC2=O 238488040 344809068 /nfs/dbraw/zinc/80/90/68/344809068.db2.gz NDTNDOVTYZUATJ-JTQLQIEISA-N 0 0 187.198 2.120 10 30 AEEERN Cc1nccc(Cl)c1CC#N 238490231 344809099 /nfs/dbraw/zinc/80/90/99/344809099.db2.gz AAUSPJYWSXDVEL-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN C#CC(=O)[C@H]1CCCC[C@@H]1C 238492961 344809269 /nfs/dbraw/zinc/80/92/69/344809269.db2.gz BZNHQXLQMOWFNX-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN Cc1cc(OC(F)F)ccc1C#N 238497220 344809691 /nfs/dbraw/zinc/80/96/91/344809691.db2.gz PXLMJUKOXHPRDN-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN Cc1cc(Cl)c(CC#N)cn1 238496748 344809693 /nfs/dbraw/zinc/80/96/93/344809693.db2.gz JRQCHNOSHXQOQZ-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN C[C@H]1C[C@@H](C=O)c2ccccc21 238497105 344809709 /nfs/dbraw/zinc/80/97/09/344809709.db2.gz SJOCQKOHZOYNPF-IUCAKERBSA-N 0 0 160.216 2.476 10 30 AEEERN Cc1cccc(C#N)c1OC(F)F 238499827 344809754 /nfs/dbraw/zinc/80/97/54/344809754.db2.gz FQSZNANGDMKPFM-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN Cc1cnc(CC#N)cc1Cl 238516946 344810515 /nfs/dbraw/zinc/81/05/15/344810515.db2.gz ODUQQOSMGNXPSW-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN N#Cc1cc(F)cc(OC(F)F)c1 238525626 344810801 /nfs/dbraw/zinc/81/08/01/344810801.db2.gz ZIVHFFLWAXQQNR-UHFFFAOYSA-N 0 0 187.120 2.299 10 30 AEEERN N#Cc1c(F)ccc2occc12 238528014 344810823 /nfs/dbraw/zinc/81/08/23/344810823.db2.gz CHOZNSNAPKIXKZ-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN N#Cc1cccc(F)c1OC(F)F 238524192 344810900 /nfs/dbraw/zinc/81/09/00/344810900.db2.gz FLYCYSQMLSZAGO-UHFFFAOYSA-N 0 0 187.120 2.299 10 30 AEEERN Cc1ccc(C#Cc2ccccc2)nn1 238528453 344811181 /nfs/dbraw/zinc/81/11/81/344811181.db2.gz KLPNSQTWEJIKDV-UHFFFAOYSA-N 0 0 194.237 2.185 10 30 AEEERN N#Cc1cccc(OC(F)F)c1F 238528756 344811359 /nfs/dbraw/zinc/81/13/59/344811359.db2.gz SJKHYBZVNKZQDA-UHFFFAOYSA-N 0 0 187.120 2.299 10 30 AEEERN Cc1cc(C)c(CC#N)cc1O 238538145 344811504 /nfs/dbraw/zinc/81/15/04/344811504.db2.gz IFJRYLMMKOMWSS-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN Cc1cncc(C(F)(F)F)c1C#N 238539549 344811600 /nfs/dbraw/zinc/81/16/00/344811600.db2.gz ONLIEPUFWUGQGO-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN Cc1cccc(OC(F)F)c1C#N 238538405 344811604 /nfs/dbraw/zinc/81/16/04/344811604.db2.gz JWFCLZYHLQKVFM-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN Cc1cncc(CC#N)c1Cl 238541007 344811982 /nfs/dbraw/zinc/81/19/82/344811982.db2.gz LDZHLQMSPPKPST-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1ccc(C#N)c(Cl)c1N 238542173 344812060 /nfs/dbraw/zinc/81/20/60/344812060.db2.gz ZVUOQUXZUJBSDK-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1ccc(C#N)c(OC(F)F)c1 238542378 344812070 /nfs/dbraw/zinc/81/20/70/344812070.db2.gz HLOHKBVQSUTAKK-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN N#CC[C@H]1COCc2ccccc21 238549684 344812321 /nfs/dbraw/zinc/81/23/21/344812321.db2.gz YGIYWOQVWIPRPC-JTQLQIEISA-N 0 0 173.215 2.214 10 30 AEEERN Fc1cnc(C#Cc2ccccc2)nc1 238547807 344812463 /nfs/dbraw/zinc/81/24/63/344812463.db2.gz VWJDGSNEEOXMLT-UHFFFAOYSA-N 0 0 198.200 2.016 10 30 AEEERN N#CCc1nccc2ccsc12 238551373 344812560 /nfs/dbraw/zinc/81/25/60/344812560.db2.gz NWIIQNTWSJGYHZ-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN N#CC[C@@H]1COCc2ccccc21 238548893 344812613 /nfs/dbraw/zinc/81/26/13/344812613.db2.gz YGIYWOQVWIPRPC-SNVBAGLBSA-N 0 0 173.215 2.214 10 30 AEEERN Cc1c(C#N)cccc1OC(F)F 238549479 344812699 /nfs/dbraw/zinc/81/26/99/344812699.db2.gz ZFQSZISIDBTKGI-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN N#CCc1cccc(C#N)c1Cl 238561533 344813058 /nfs/dbraw/zinc/81/30/58/344813058.db2.gz KHOFOZHNURROIO-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN N#CCc1cccc(C=O)c1Cl 238561560 344813104 /nfs/dbraw/zinc/81/31/04/344813104.db2.gz JHCDPJZDCZIEKA-UHFFFAOYSA-N 0 0 179.606 2.219 10 30 AEEERN O=C1CCCC=C1C1CC1 238576578 344813792 /nfs/dbraw/zinc/81/37/92/344813792.db2.gz QLNYSDKXUZPTNX-UHFFFAOYSA-N 0 0 136.194 2.076 10 30 AEEERN N#Cc1cc(F)nc(C(F)(F)F)c1 238577648 344813801 /nfs/dbraw/zinc/81/38/01/344813801.db2.gz ZRHUZCQTCVFYIV-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN N#CCc1cc(Cl)cc([N+](=O)[O-])c1 238574504 344813830 /nfs/dbraw/zinc/81/38/30/344813830.db2.gz FCWRUCGFGQMHSB-UHFFFAOYSA-N 0 0 196.593 2.314 10 30 AEEERN N#Cc1ccc2cnc(Cl)nc2c1 238572175 344813854 /nfs/dbraw/zinc/81/38/54/344813854.db2.gz KOAPNDUYSDSFPR-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN Cc1ncc(C(F)(F)F)cc1C#N 238576304 344813980 /nfs/dbraw/zinc/81/39/80/344813980.db2.gz XCDUIANFSAHBQA-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN N#CCc1ccc(Cl)c(Cl)n1 238591250 344814512 /nfs/dbraw/zinc/81/45/12/344814512.db2.gz YBPWMDRRZSSOAW-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN N#CCc1ccc(N)c2ccccc12 238585140 344814668 /nfs/dbraw/zinc/81/46/68/344814668.db2.gz BDSXLSKCFLQJGA-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN N#CCc1cc(C#N)ccc1Cl 238588138 344814671 /nfs/dbraw/zinc/81/46/71/344814671.db2.gz JMUDGXCZBLVHMB-UHFFFAOYSA-N 0 0 176.606 2.278 10 30 AEEERN N#CCc1cc(N)cc2ccccc12 238592201 344814845 /nfs/dbraw/zinc/81/48/45/344814845.db2.gz WICFFFJZUFAZMX-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN O=CCCCC1=CC(=O)CCCC1 238607395 344815277 /nfs/dbraw/zinc/81/52/77/344815277.db2.gz UDAGWLQSHLQLFQ-UHFFFAOYSA-N 0 0 180.247 2.425 10 30 AEEERN O=CCC1(c2ccccc2)CC1 238605305 344815288 /nfs/dbraw/zinc/81/52/88/344815288.db2.gz SEGDROBBUKEQFC-UHFFFAOYSA-N 0 0 160.216 2.307 10 30 AEEERN O=CCCCCC1=CC(=O)CCC1 238607957 344815368 /nfs/dbraw/zinc/81/53/68/344815368.db2.gz WFTRRSQAUUVILR-UHFFFAOYSA-N 0 0 180.247 2.425 10 30 AEEERN O=CCCCCC1=CC(=O)CC1 238607921 344815493 /nfs/dbraw/zinc/81/54/93/344815493.db2.gz HTIWTKHZRPZEKX-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN N#Cc1cccc2ccc(N)cc12 238620549 344815903 /nfs/dbraw/zinc/81/59/03/344815903.db2.gz DDPKNKYUFQHDER-UHFFFAOYSA-N 0 0 168.199 2.294 10 30 AEEERN N#CCc1c(N)ccc2ccccc12 238621272 344815983 /nfs/dbraw/zinc/81/59/83/344815983.db2.gz CJMGDQUVHODPKF-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN N#CCc1cccc2cc(N)ccc12 238617496 344816000 /nfs/dbraw/zinc/81/60/00/344816000.db2.gz SEBLOCMTIVKYJX-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN N#CCc1ccc2ccc(N)cc2c1 238620190 344816065 /nfs/dbraw/zinc/81/60/65/344816065.db2.gz STQRXLHVCFAQAJ-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN N#CCc1cccc2ccc(N)cc12 238620759 344816103 /nfs/dbraw/zinc/81/61/03/344816103.db2.gz IZBLOMPUAJBTCY-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN N#C[C@H]1C[C@H]1C(=O)c1ccccc1 238629567 344816266 /nfs/dbraw/zinc/81/62/66/344816266.db2.gz DEOMZDCSPGZWLB-NXEZZACHSA-N 0 0 171.199 2.029 10 30 AEEERN N#CCc1cc2ccccc2cc1N 238629471 344816399 /nfs/dbraw/zinc/81/63/99/344816399.db2.gz SUJKZFSIGSVMSM-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN C#CCCCC(=O)CCCC#C 238632074 344816407 /nfs/dbraw/zinc/81/64/07/344816407.db2.gz KEHYSXARSHQMGI-UHFFFAOYSA-N 0 0 162.232 2.163 10 30 AEEERN Nc1ccc(C#Cc2ccccc2)nc1 238632325 344816497 /nfs/dbraw/zinc/81/64/97/344816497.db2.gz SXCWLLFOSOAJCO-UHFFFAOYSA-N 0 0 194.237 2.064 10 30 AEEERN O=C(/C=C/CCCO)c1ccccc1 238641350 344816665 /nfs/dbraw/zinc/81/66/65/344816665.db2.gz JTXRMNWQNNQQOO-WEVVVXLNSA-N 0 0 190.242 2.198 10 30 AEEERN C=C(CCO)c1ccccc1F 238637123 344816667 /nfs/dbraw/zinc/81/66/67/344816667.db2.gz MEGMAJNTCCVDPS-UHFFFAOYSA-N 0 0 166.195 2.221 10 30 AEEERN N#CCc1cccc2cccc(N)c12 238635753 344816781 /nfs/dbraw/zinc/81/67/81/344816781.db2.gz OGMQDPHDDFPEFY-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN N#CCc1cccc2c(N)cccc12 238633670 344816784 /nfs/dbraw/zinc/81/67/84/344816784.db2.gz HUPCZIVTCJXOHA-UHFFFAOYSA-N 0 0 182.226 2.488 10 30 AEEERN C#CCCC[C@H](O)CCC=C 238665143 344817624 /nfs/dbraw/zinc/81/76/24/344817624.db2.gz UNLMGCQWTOQGPE-SNVBAGLBSA-N 0 0 152.237 2.117 10 30 AEEERN O=C[C@H]1CC[C@H](c2ccccc2)O1 238668290 344817650 /nfs/dbraw/zinc/81/76/50/344817650.db2.gz JHQMLWJJIXAAPV-GHMZBOCLSA-N 0 0 176.215 2.106 10 30 AEEERN O=C[C@H]1CC[C@@H](C2CCCCC2)O1 238667658 344817667 /nfs/dbraw/zinc/81/76/67/344817667.db2.gz BPHKFXUYHNRPGY-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN C=CCCC1=CCCC[C@@H]1O 238666239 344817747 /nfs/dbraw/zinc/81/77/47/344817747.db2.gz WQGCVQVRZODHNB-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN O=C[C@H]1CC[C@@H](c2ccccc2)O1 238667744 344817766 /nfs/dbraw/zinc/81/77/66/344817766.db2.gz JHQMLWJJIXAAPV-MNOVXSKESA-N 0 0 176.215 2.106 10 30 AEEERN O=C[C@H]1CC[C@H](C2CCCCC2)O1 238668211 344817878 /nfs/dbraw/zinc/81/78/78/344817878.db2.gz BPHKFXUYHNRPGY-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN N#C[C@@]12CCCc3cccc(c31)[C@H](O)C2 238691032 344819262 /nfs/dbraw/zinc/81/92/62/344819262.db2.gz IMTLLKHNEKBWBW-YPMHNXCESA-N 0 0 199.253 2.221 10 30 AEEERN N#CCC[C@H](CO)Cc1ccccc1 238697490 344819783 /nfs/dbraw/zinc/81/97/83/344819783.db2.gz NOBBBQSNQXRVDN-LBPRGKRZSA-N 0 0 189.258 2.141 10 30 AEEERN C#CCCC[C@@H](O)CCC=C 238700552 344820087 /nfs/dbraw/zinc/82/00/87/344820087.db2.gz UNLMGCQWTOQGPE-JTQLQIEISA-N 0 0 152.237 2.117 10 30 AEEERN C#Cc1ccc([C@H](O)CC=C)cc1 238698377 344820193 /nfs/dbraw/zinc/82/01/93/344820193.db2.gz JZIHRNVGCJXBAE-GFCCVEGCSA-N 0 0 172.227 2.277 10 30 AEEERN N#CCC[C@@H](CO)Cc1ccccc1 238701753 344820242 /nfs/dbraw/zinc/82/02/42/344820242.db2.gz NOBBBQSNQXRVDN-GFCCVEGCSA-N 0 0 189.258 2.141 10 30 AEEERN C#C[C@H](O)CCc1ccccc1Cl 238704046 344820544 /nfs/dbraw/zinc/82/05/44/344820544.db2.gz PGDXOWMKKLQMCM-JTQLQIEISA-N 0 0 194.661 2.267 10 30 AEEERN N#Cc1cc(C(F)F)ccc1O 238713777 344821093 /nfs/dbraw/zinc/82/10/93/344821093.db2.gz AAUVRFJTBPPHLB-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN N#C[C@@]12CCCc3cccc(c31)[C@@H](O)C2 238714024 344821105 /nfs/dbraw/zinc/82/11/05/344821105.db2.gz IMTLLKHNEKBWBW-AAEUAGOBSA-N 0 0 199.253 2.221 10 30 AEEERN N#Cc1ccc(O)cc1C(F)F 238711944 344821142 /nfs/dbraw/zinc/82/11/42/344821142.db2.gz MOUTXTLCVFYBOI-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN N#C[C@]12CCCc3cccc(c31)[C@@H](O)C2 238710779 344821165 /nfs/dbraw/zinc/82/11/65/344821165.db2.gz IMTLLKHNEKBWBW-WCQYABFASA-N 0 0 199.253 2.221 10 30 AEEERN N#Cc1cc(O)ccc1C(F)F 238713559 344821187 /nfs/dbraw/zinc/82/11/87/344821187.db2.gz NRXBMYCPXRIYQT-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN C=CCCC1=CCCC[C@H]1O 238714120 344821261 /nfs/dbraw/zinc/82/12/61/344821261.db2.gz WQGCVQVRZODHNB-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN N#Cc1c(O)cccc1C(F)F 238723818 344821454 /nfs/dbraw/zinc/82/14/54/344821454.db2.gz HKRPVCLZIRJHET-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN N#Cc1cccc(O)c1C(F)F 238723342 344821697 /nfs/dbraw/zinc/82/16/97/344821697.db2.gz ZBOGXMXLZRRGNO-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN N#CCc1cccc(O)c1Cl 238723973 344821739 /nfs/dbraw/zinc/82/17/39/344821739.db2.gz OXMOGBMFJAATLH-UHFFFAOYSA-N 0 0 167.595 2.112 10 30 AEEERN N#Cc1ccc(O)cc1C1CC1 238725774 344821956 /nfs/dbraw/zinc/82/19/56/344821956.db2.gz ZLNFGZGBNPYPOH-UHFFFAOYSA-N 0 0 159.188 2.141 10 30 AEEERN C=CC(F)(F)c1ccc(CO)cc1 238725432 344822081 /nfs/dbraw/zinc/82/20/81/344822081.db2.gz ABIZXLGEHDSDJL-UHFFFAOYSA-N 0 0 184.185 2.457 10 30 AEEERN N#Cc1ccc(C(F)F)c(O)c1 238727738 344822298 /nfs/dbraw/zinc/82/22/98/344822298.db2.gz XZRSSVCKNJMTLU-UHFFFAOYSA-N 0 0 169.130 2.201 10 30 AEEERN C[C@@H]1CC[C@H]([C@H](C)CC=O)C[C@@H]1C=O 238804318 344822938 /nfs/dbraw/zinc/82/29/38/344822938.db2.gz WPTXUPNYRLEFLZ-WISYIIOYSA-N 0 0 196.290 2.463 10 30 AEEERN C=CCOC(=O)Nc1nc(C)cs1 244275253 344826029 /nfs/dbraw/zinc/82/60/29/344826029.db2.gz WQURCJGVOQWHAK-UHFFFAOYSA-N 0 0 198.247 2.186 10 30 AEEERN CC(C)[C@@H]1CC(=NO)[C@@H](C)CC1=NO 245267908 344826409 /nfs/dbraw/zinc/82/64/09/344826409.db2.gz MZQWIWFOLMWAKK-YUMQZZPRSA-N 0 0 198.266 2.349 10 30 AEEERN CC(C)[C@H]1CC(=NO)[C@@H](C)CC1=NO 245267905 344826450 /nfs/dbraw/zinc/82/64/50/344826450.db2.gz MZQWIWFOLMWAKK-JGVFFNPUSA-N 0 0 198.266 2.349 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)C(=NN)C2 245283950 344826456 /nfs/dbraw/zinc/82/64/56/344826456.db2.gz PEGOJPQIBGLFFN-OIBJUYFYSA-N 0 0 166.268 2.147 10 30 AEEERN CC(C)[C@@H]1CC(=NO)[C@H](C)CC1=NO 245267906 344826465 /nfs/dbraw/zinc/82/64/65/344826465.db2.gz MZQWIWFOLMWAKK-SFYZADRCSA-N 0 0 198.266 2.349 10 30 AEEERN CC(C)[C@H]1CC(=NO)[C@H](C)CC1=NO 245267903 344826496 /nfs/dbraw/zinc/82/64/96/344826496.db2.gz MZQWIWFOLMWAKK-HTQZYQBOSA-N 0 0 198.266 2.349 10 30 AEEERN CCC[S@](=O)[C@@H]1CCCC[C@H]1C#N 249794047 344827957 /nfs/dbraw/zinc/82/79/57/344827957.db2.gz DTGZMSBZDYYWMV-CWSCBRNRSA-N 0 0 199.319 2.227 10 30 AEEERN CCC[S@](=O)[C@H]1CCCC[C@H]1C#N 249794050 344828160 /nfs/dbraw/zinc/82/81/60/344828160.db2.gz DTGZMSBZDYYWMV-KWBADKCTSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)C[S@](=O)[C@H]1CCC[C@H]1C#N 250567624 344836265 /nfs/dbraw/zinc/83/62/65/344836265.db2.gz NPKYEMNBBRRPDJ-KWBADKCTSA-N 0 0 199.319 2.083 10 30 AEEERN CCN[C@]1(C#N)C[C@H](C)CC[C@H]1C 250640431 344837831 /nfs/dbraw/zinc/83/78/31/344837831.db2.gz MWLFFTWNTGJXAS-MXWKQRLJSA-N 0 0 180.295 2.314 10 30 AEEERN CCN[C@]1(C#N)C[C@@H](C)CC[C@H]1C 250640429 344838121 /nfs/dbraw/zinc/83/81/21/344838121.db2.gz MWLFFTWNTGJXAS-AXFHLTTASA-N 0 0 180.295 2.314 10 30 AEEERN CCN[C@]1(C#N)CCC[C@@H](C)[C@H]1C 250655340 344838914 /nfs/dbraw/zinc/83/89/14/344838914.db2.gz PPMPFGQUZDCRAS-MXWKQRLJSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@@H](C#N)C(=O)[C@@H]1[C@H]2CCC[C@H]21 250697000 344839766 /nfs/dbraw/zinc/83/97/66/344839766.db2.gz QLJBBWQWJXNZKH-YTWAJWBKSA-N 0 0 191.274 2.397 10 30 AEEERN CC(C)[C@H](C#N)C(=O)[C@@H]1[C@H]2CCC[C@H]21 250697002 344839799 /nfs/dbraw/zinc/83/97/99/344839799.db2.gz QLJBBWQWJXNZKH-ZRUFSTJUSA-N 0 0 191.274 2.397 10 30 AEEERN CCN[C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 250752085 344840570 /nfs/dbraw/zinc/84/05/70/344840570.db2.gz WSCLDMWRVBJECP-URLYPYJESA-N 0 0 180.295 2.314 10 30 AEEERN CCN[C@]1(C#N)CC[C@@H](C)C[C@H]1C 250767744 344840855 /nfs/dbraw/zinc/84/08/55/344840855.db2.gz YXWKCLRFMGBOTH-MXWKQRLJSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H](C#N)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 251018913 344844210 /nfs/dbraw/zinc/84/42/10/344844210.db2.gz CFGQEDJTSRLTME-AXTSPUMRSA-N 0 0 177.247 2.151 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 251018915 344844382 /nfs/dbraw/zinc/84/43/82/344844382.db2.gz CFGQEDJTSRLTME-IMSYWVGJSA-N 0 0 177.247 2.151 10 30 AEEERN CC1(C)CCC(=NO)C1 251189321 344848609 /nfs/dbraw/zinc/84/86/09/344848609.db2.gz SGPYVVFPMGNZGT-UHFFFAOYSA-N 0 0 127.187 2.027 10 30 AEEERN CC[C@H](C#N)N1CCC[C@H]1C(C)C 251200325 344849287 /nfs/dbraw/zinc/84/92/87/344849287.db2.gz GQWFHZHMYCAIBI-MNOVXSKESA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C#N)N1CCC[C@@H](C)[C@H]1C 251214909 344849371 /nfs/dbraw/zinc/84/93/71/344849371.db2.gz KYKRVFREDIOXEO-GMTAPVOTSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C#N)N1CCC[C@H](C)[C@H]1C 251214912 344849423 /nfs/dbraw/zinc/84/94/23/344849423.db2.gz KYKRVFREDIOXEO-HBNTYKKESA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C#N)N1CC[C@@H](C)C[C@H]1C 251213663 344849440 /nfs/dbraw/zinc/84/94/40/344849440.db2.gz KPXHMIGHQZHEPN-GMTAPVOTSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C#N)N1CC[C@H](C)C[C@H]1C 251213667 344849523 /nfs/dbraw/zinc/84/95/23/344849523.db2.gz KPXHMIGHQZHEPN-HBNTYKKESA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C#N)NN1[C@H](C)CCC[C@H]1C 251221192 344850185 /nfs/dbraw/zinc/85/01/85/344850185.db2.gz MWGJXMANWZWTPA-GMTAPVOTSA-N 0 0 195.310 2.056 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC[C@H]1C 251252996 344850597 /nfs/dbraw/zinc/85/05/97/344850597.db2.gz WKOUKILGKNDWHK-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCC[C@H]1C 251252998 344850622 /nfs/dbraw/zinc/85/06/22/344850622.db2.gz WKOUKILGKNDWHK-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C)[S@](=O)[C@H]1CCC[C@@H]1C#N 251306573 344851714 /nfs/dbraw/zinc/85/17/14/344851714.db2.gz CSAJYGCTFTUWTC-WJZNIJOASA-N 0 0 199.319 2.226 10 30 AEEERN CC[C@H](C)[S@](=O)[C@H]1CCC[C@H]1C#N 251306575 344851919 /nfs/dbraw/zinc/85/19/19/344851919.db2.gz CSAJYGCTFTUWTC-YVNDNENWSA-N 0 0 199.319 2.226 10 30 AEEERN CC[C@H](C)[S@](=O)[C@@H]1CCC[C@H]1C#N 251306574 344852007 /nfs/dbraw/zinc/85/20/07/344852007.db2.gz CSAJYGCTFTUWTC-XHSYRHOGSA-N 0 0 199.319 2.226 10 30 AEEERN C=C[C@H](C)[C@@H]1CCCC[C@H]1O 251505934 344855208 /nfs/dbraw/zinc/85/52/08/344855208.db2.gz HZLDZDBVLZNKRU-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@H]1[C@@H](C=O)CCC[C@H]1C 251529516 344855768 /nfs/dbraw/zinc/85/57/68/344855768.db2.gz AGPAHCPNDNDKRX-HRDYMLBCSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@H]1C=O 251529528 344856465 /nfs/dbraw/zinc/85/64/65/344856465.db2.gz AGPAHCPNDNDKRX-VGMNWLOBSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@@H]1CCC[C@@H]([C@H]2CO2)C1 251543011 344857149 /nfs/dbraw/zinc/85/71/49/344857149.db2.gz ARZFNCSFLAAESI-IWSPIJDZSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCC[C@H]([C@H]2CO2)C1 251543000 344857353 /nfs/dbraw/zinc/85/73/53/344857353.db2.gz ARZFNCSFLAAESI-HRDYMLBCSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCC[C@H]1C 251585133 344859264 /nfs/dbraw/zinc/85/92/64/344859264.db2.gz BDXOAGLHWLHYCI-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCC[C@H]1C 251585127 344859380 /nfs/dbraw/zinc/85/93/80/344859380.db2.gz BDXOAGLHWLHYCI-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H]1CC[C@@H](C)[C@](C#N)(N(C)C)C1 251684299 344865918 /nfs/dbraw/zinc/86/59/18/344865918.db2.gz AOCGNUXZLZOWFS-MXWKQRLJSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CC[C@@H](C)C[C@@]1(C#N)N(C)C 251684301 344866045 /nfs/dbraw/zinc/86/60/45/344866045.db2.gz AOCGNUXZLZOWFS-VWYCJHECSA-N 0 0 180.295 2.266 10 30 AEEERN CO[C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 251690896 344866356 /nfs/dbraw/zinc/86/63/56/344866356.db2.gz AUZYCCJYDKCXIP-MYJAWHEDSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@H]1CC[C@@H](C)CN1[C@H](C)C#N 251740415 344869763 /nfs/dbraw/zinc/86/97/63/344869763.db2.gz JHLOKJAKPCEYKT-KXUCPTDWSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H]1CC[C@@H](C)N([C@H](C)C#N)C1 251740419 344869918 /nfs/dbraw/zinc/86/99/18/344869918.db2.gz JHLOKJAKPCEYKT-OPRDCNLKSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H](N[C@H](C)C#N)C1 251757338 344871289 /nfs/dbraw/zinc/87/12/89/344871289.db2.gz DLIMEHHDSRBCSC-YTWAJWBKSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H](N[C@@H](C)C#N)C1 251757342 344871445 /nfs/dbraw/zinc/87/14/45/344871445.db2.gz DLIMEHHDSRBCSC-ZRUFSTJUSA-N 0 0 180.295 2.313 10 30 AEEERN CO[C@]1(C#N)CC[C@@H](C)[C@H](C)C1 251766451 344871755 /nfs/dbraw/zinc/87/17/55/344871755.db2.gz KLPVUIFYGIXERB-OPRDCNLKSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@]1(C#N)CC[C@H](C)[C@H](C)C1 251766447 344871882 /nfs/dbraw/zinc/87/18/82/344871882.db2.gz KLPVUIFYGIXERB-IVZWLZJFSA-N 0 0 167.252 2.351 10 30 AEEERN C[C@@H]1CC[C@@H](OCC=O)C[C@H]1C 251776339 344872721 /nfs/dbraw/zinc/87/27/21/344872721.db2.gz KYFOWUNWRYOWFD-OPRDCNLKSA-N 0 0 170.252 2.027 10 30 AEEERN C[C@@H]1CC[C@H](OCC=O)C[C@H]1C 251776335 344872806 /nfs/dbraw/zinc/87/28/06/344872806.db2.gz KYFOWUNWRYOWFD-BBBLOLIVSA-N 0 0 170.252 2.027 10 30 AEEERN C[C@@H]1CC[C@H](OC[C@H]2CO2)C[C@H]1C 251834157 344875652 /nfs/dbraw/zinc/87/56/52/344875652.db2.gz NPRHKOXHAKIGOY-ZNSHCXBVSA-N 0 0 184.279 2.227 10 30 AEEERN C[C@@H]1CC[C@H](OC[C@@H]2CO2)C[C@H]1C 251834154 344875989 /nfs/dbraw/zinc/87/59/89/344875989.db2.gz NPRHKOXHAKIGOY-CHWFTXMASA-N 0 0 184.279 2.227 10 30 AEEERN C[C@H]1C[C@@H](OC[C@H]2CO2)CC[C@H]1C 251834155 344876033 /nfs/dbraw/zinc/87/60/33/344876033.db2.gz NPRHKOXHAKIGOY-RCWTZXSCSA-N 0 0 184.279 2.227 10 30 AEEERN C[C@@H]1CC[C@H]([C@](C)(O)C=O)C[C@H]1C 251863342 344877369 /nfs/dbraw/zinc/87/73/69/344877369.db2.gz QAOQYPGTWAOPIJ-CHWFTXMASA-N 0 0 184.279 2.009 10 30 AEEERN C=C(C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 252896616 344918322 /nfs/dbraw/zinc/91/83/22/344918322.db2.gz BVNJJLRTJHFOSJ-BRPSZJMVSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(N(C)C)C[C@H]1C 251864759 344877738 /nfs/dbraw/zinc/87/77/38/344877738.db2.gz QDCNSDALNODDAA-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H](C#N)N[C@@H]1CC[C@@H](C)[C@H](C)C1 251875731 344877893 /nfs/dbraw/zinc/87/78/93/344877893.db2.gz QWHCOSQCKNLRKB-GWOFURMSSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@@H]1CC[C@](C#N)(N(C)C)C[C@H]1C 251864760 344877912 /nfs/dbraw/zinc/87/79/12/344877912.db2.gz QDCNSDALNODDAA-MXWKQRLJSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CC[C@@H](N[C@H](C)C#N)C[C@H]1C 251875732 344878036 /nfs/dbraw/zinc/87/80/36/344878036.db2.gz QWHCOSQCKNLRKB-LNFKQOIKSA-N 0 0 180.295 2.313 10 30 AEEERN CC[C@H]1CCCCN1[C@H](C)C#N 251884623 344878734 /nfs/dbraw/zinc/87/87/34/344878734.db2.gz VMQQUNKNKGPCRE-ZJUUUORDSA-N 0 0 166.268 2.163 10 30 AEEERN C[C@@H]1CC[C@@H](C=O)C[C@H]1C 251880878 344878843 /nfs/dbraw/zinc/87/88/43/344878843.db2.gz RDYPINYAOMHGON-IWSPIJDZSA-N 0 0 140.226 2.258 10 30 AEEERN C[C@@H]1CC[C@H](C=O)C[C@H]1C 251880875 344878908 /nfs/dbraw/zinc/87/89/08/344878908.db2.gz RDYPINYAOMHGON-HLTSFMKQSA-N 0 0 140.226 2.258 10 30 AEEERN CC[C@@H]1CCCCN1[C@H](C)C#N 251884621 344878930 /nfs/dbraw/zinc/87/89/30/344878930.db2.gz VMQQUNKNKGPCRE-NXEZZACHSA-N 0 0 166.268 2.163 10 30 AEEERN C[C@H]1CC[C@@H](N[C@H](C)C#N)C[C@@H]1C 251875733 344878983 /nfs/dbraw/zinc/87/89/83/344878983.db2.gz QWHCOSQCKNLRKB-UKKRHICBSA-N 0 0 180.295 2.313 10 30 AEEERN CC[C@H](C)N1CCCC[C@H]1C#N 251951386 344881947 /nfs/dbraw/zinc/88/19/47/344881947.db2.gz UNGHXLNPMUCVHH-UWVGGRQHSA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@@H](C)N1CCCC[C@H]1C#N 251951389 344882333 /nfs/dbraw/zinc/88/23/33/344882333.db2.gz UNGHXLNPMUCVHH-ZJUUUORDSA-N 0 0 166.268 2.163 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@@]1(C#N)N(C)C 251960429 344882572 /nfs/dbraw/zinc/88/25/72/344882572.db2.gz XNDAKSNFNOSMJJ-VWYCJHECSA-N 0 0 180.295 2.266 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@@H](C)[C@H](C)C1 251990238 344882598 /nfs/dbraw/zinc/88/25/98/344882598.db2.gz ZGQJVSMWGUHYIH-IJLUTSLNSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@@H]1CCC[C@@H]([C@H](C#N)N(C)C)C1 251964486 344882612 /nfs/dbraw/zinc/88/26/12/344882612.db2.gz XUDQFMFFGJTEAL-MXWKQRLJSA-N 0 0 180.295 2.266 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@H](C)[C@H](C)C1 251990241 344882633 /nfs/dbraw/zinc/88/26/33/344882633.db2.gz ZGQJVSMWGUHYIH-QJPTWQEYSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@@H]1CCC[C@H]([C@H](C#N)N(C)C)C1 251964491 344882696 /nfs/dbraw/zinc/88/26/96/344882696.db2.gz XUDQFMFFGJTEAL-VWYCJHECSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@]1(C#N)N(C)C 251960428 344882865 /nfs/dbraw/zinc/88/28/65/344882865.db2.gz XNDAKSNFNOSMJJ-OUAUKWLOSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CCC[C@@H](N[C@H](C)C#N)[C@H]1C 251990362 344883149 /nfs/dbraw/zinc/88/31/49/344883149.db2.gz ZHCVPUZLMPJCAQ-ZRUFSTJUSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCC[C@@H](C)[C@H]1C 251990356 344883430 /nfs/dbraw/zinc/88/34/30/344883430.db2.gz ZHCVPUZLMPJCAQ-GWOFURMSSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H]([C@](C)(O)C=O)C1 252094878 344884548 /nfs/dbraw/zinc/88/45/48/344884548.db2.gz HQMDNIYQDXIRHB-VPOLOUISSA-N 0 0 184.279 2.009 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H]([C@@](C)(O)C=O)C1 252094879 344884607 /nfs/dbraw/zinc/88/46/07/344884607.db2.gz HQMDNIYQDXIRHB-ZDCRXTMVSA-N 0 0 184.279 2.009 10 30 AEEERN C#CC[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252099365 344884609 /nfs/dbraw/zinc/88/46/09/344884609.db2.gz IEFJFAWOEBOHQI-JGPRNRPPSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@]2(CO2)C1 252127286 344887057 /nfs/dbraw/zinc/88/70/57/344887057.db2.gz LOHMVMWJFRVZFY-AYMMMOKOSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CC[C@H](N[C@H](C)C#N)[C@H](C)C1 252142620 344887597 /nfs/dbraw/zinc/88/75/97/344887597.db2.gz NLAOQIRRHRIFTH-DBIOUOCHSA-N 0 0 180.295 2.313 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C[C@]1(N)C#N 252142317 344887922 /nfs/dbraw/zinc/88/79/22/344887922.db2.gz NKBXPAOAXZQLBD-MXWKQRLJSA-N 0 0 180.295 2.300 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](C)C[C@]1(N)C#N 252142319 344888076 /nfs/dbraw/zinc/88/80/76/344888076.db2.gz NKBXPAOAXZQLBD-VWYCJHECSA-N 0 0 180.295 2.300 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H](N(C)CC#N)C1 252151649 344888328 /nfs/dbraw/zinc/88/83/28/344888328.db2.gz ORIURKQKGYTYOC-URLYPYJESA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H]([C@](C)(O)CC=O)C1 252173255 344889585 /nfs/dbraw/zinc/88/95/85/344889585.db2.gz RNZMMIOXUIHBCM-NOOOWODRSA-N 0 0 198.306 2.399 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@H]([C@@](C)(O)CC=O)C1 252173256 344889612 /nfs/dbraw/zinc/88/96/12/344889612.db2.gz RNZMMIOXUIHBCM-QCNOEVLYSA-N 0 0 198.306 2.399 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@](C#N)(NC2CC2)C1 252180697 344889936 /nfs/dbraw/zinc/88/99/36/344889936.db2.gz SVYQKHXMLMTNJP-IAZYJMLFSA-N 0 0 192.306 2.457 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@]12CO2 252189926 344890637 /nfs/dbraw/zinc/89/06/37/344890637.db2.gz RLUAATSHTNQEHA-VGMNWLOBSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@@]12CO2 252189925 344890698 /nfs/dbraw/zinc/89/06/98/344890698.db2.gz RLUAATSHTNQEHA-HRDYMLBCSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@H](C#N)NC[C@@H]1CCCC[C@H]1C 252200275 344891352 /nfs/dbraw/zinc/89/13/52/344891352.db2.gz TXJVLUBXRVUNKE-MXWKQRLJSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H](C#N)NC[C@H]1CCCC[C@H]1C 252200274 344891392 /nfs/dbraw/zinc/89/13/92/344891392.db2.gz TXJVLUBXRVUNKE-GMTAPVOTSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCN[C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 252209344 344892326 /nfs/dbraw/zinc/89/23/26/344892326.db2.gz XTLZKCDUTAIBKA-GDNZZTSVSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@@H]1CCCC[C@H]1N(C)[C@H](C)C#N 252212712 344892517 /nfs/dbraw/zinc/89/25/17/344892517.db2.gz WUNMITISZFYTNM-GMTAPVOTSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@@H]1CCCC[C@@H]1N(C)[C@H](C)C#N 252212714 344892793 /nfs/dbraw/zinc/89/27/93/344892793.db2.gz WUNMITISZFYTNM-MXWKQRLJSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCCC[C@H]1C 252219387 344893448 /nfs/dbraw/zinc/89/34/48/344893448.db2.gz YPYRIPGKKGMWML-MXWKQRLJSA-N 0 0 180.295 2.457 10 30 AEEERN CCc1ccc(C=NO)cc1 252369923 344894256 /nfs/dbraw/zinc/89/42/56/344894256.db2.gz DCBIVYBFOCPTQI-UHFFFAOYSA-N 0 0 149.193 2.057 10 30 AEEERN ON=C1CCc2ccccc2C1 252390671 344894286 /nfs/dbraw/zinc/89/42/86/344894286.db2.gz JXNKMKANQORTNN-UHFFFAOYSA-N 0 0 161.204 2.006 10 30 AEEERN CC(=NO)c1ccc(C)cc1 252370153 344894307 /nfs/dbraw/zinc/89/43/07/344894307.db2.gz XAAUYUMBCPRWED-UHFFFAOYSA-N 0 0 149.193 2.193 10 30 AEEERN ON=Cc1ccc(OC(F)F)cc1 252369982 344894310 /nfs/dbraw/zinc/89/43/10/344894310.db2.gz LLQDRZBXFFRAKJ-UHFFFAOYSA-N 0 0 187.145 2.096 10 30 AEEERN CCc1ccc(C(C)=NO)cc1 252370139 344894316 /nfs/dbraw/zinc/89/43/16/344894316.db2.gz VECGTLCRIQNAIB-UHFFFAOYSA-N 0 0 163.220 2.447 10 30 AEEERN CC(C)Oc1ccccc1C=NO 252370126 344894320 /nfs/dbraw/zinc/89/43/20/344894320.db2.gz SGGONDVWPDMQAJ-UHFFFAOYSA-N 0 0 179.219 2.282 10 30 AEEERN CSc1ccc(C=NO)cc1 252370132 344894355 /nfs/dbraw/zinc/89/43/55/344894355.db2.gz TVMICSMBUZCYHJ-UHFFFAOYSA-N 0 0 167.233 2.217 10 30 AEEERN C[C@@H]1CCCC(=NO)C1 252370158 344894372 /nfs/dbraw/zinc/89/43/72/344894372.db2.gz XHUKUULKCNZFAG-ZCFIWIBFSA-N 0 0 127.187 2.027 10 30 AEEERN CCC(=NO)c1cccs1 252370084 344894375 /nfs/dbraw/zinc/89/43/75/344894375.db2.gz OMZQGWSYEDCTKB-UHFFFAOYSA-N 0 0 155.222 2.336 10 30 AEEERN C[C@H]1CCCC(=NO)C1 252370157 344894390 /nfs/dbraw/zinc/89/43/90/344894390.db2.gz XHUKUULKCNZFAG-LURJTMIESA-N 0 0 127.187 2.027 10 30 AEEERN C[C@H]1C[C@@H]1c1ccc(C=NO)o1 252391096 344894408 /nfs/dbraw/zinc/89/44/08/344894408.db2.gz VZUDSGVZOPMZEU-XPUUQOCRSA-N 0 0 165.192 2.211 10 30 AEEERN CC(=NO)c1cccc(F)c1 252369931 344894526 /nfs/dbraw/zinc/89/45/26/344894526.db2.gz FVJZWDSOLXGOIY-UHFFFAOYSA-N 0 0 153.156 2.024 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc(C=NO)o1 252391093 344894532 /nfs/dbraw/zinc/89/45/32/344894532.db2.gz VZUDSGVZOPMZEU-HTRCEHHLSA-N 0 0 165.192 2.211 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc(C=NO)o1 252391095 344894560 /nfs/dbraw/zinc/89/45/60/344894560.db2.gz VZUDSGVZOPMZEU-SVRRBLITSA-N 0 0 165.192 2.211 10 30 AEEERN Cc1cccc(C=NO)c1C 252440520 344897174 /nfs/dbraw/zinc/89/71/74/344897174.db2.gz RHWIVIOMXHLSHJ-UHFFFAOYSA-N 0 0 149.193 2.112 10 30 AEEERN CC(C)Oc1cccc(C=NO)c1 252440428 344897192 /nfs/dbraw/zinc/89/71/92/344897192.db2.gz GVJSBBNNKNANQX-UHFFFAOYSA-N 0 0 179.219 2.282 10 30 AEEERN CC[C@H]1CCC(=NO)C1 252467191 344898491 /nfs/dbraw/zinc/89/84/91/344898491.db2.gz WVDCOSORLJXKOX-LURJTMIESA-N 0 0 127.187 2.027 10 30 AEEERN CC1(C)Cc2cccc(C=NO)c2O1 252467097 344898499 /nfs/dbraw/zinc/89/84/99/344898499.db2.gz UXJOKFULOFSDQM-UHFFFAOYSA-N 0 0 191.230 2.208 10 30 AEEERN CC1(C)CCCC(=NO)C1 252465757 344898519 /nfs/dbraw/zinc/89/85/19/344898519.db2.gz YJTYWSWRBZQVPA-UHFFFAOYSA-N 0 0 141.214 2.417 10 30 AEEERN CC[C@@H]1CCC(=NO)C1 252467192 344898628 /nfs/dbraw/zinc/89/86/28/344898628.db2.gz WVDCOSORLJXKOX-ZCFIWIBFSA-N 0 0 127.187 2.027 10 30 AEEERN C[C@H]1CC[C@@H](C)C(=NO)C1 252471342 344898851 /nfs/dbraw/zinc/89/88/51/344898851.db2.gz IFVIXLSUAKEPKV-NKWVEPMBSA-N 0 0 141.214 2.273 10 30 AEEERN C=CCOc1ccccc1C=NO 252470036 344898870 /nfs/dbraw/zinc/89/88/70/344898870.db2.gz PCWLXHIQGXUSCE-UHFFFAOYSA-N 0 0 177.203 2.060 10 30 AEEERN C[C@H]1CC(=NO)CC[C@H]1C 252470793 344898900 /nfs/dbraw/zinc/89/89/00/344898900.db2.gz DWUJEJVKWCWSQY-RQJHMYQMSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@H]1CCC(=NO)C[C@H]1C 252470791 344898924 /nfs/dbraw/zinc/89/89/24/344898924.db2.gz DWUJEJVKWCWSQY-NKWVEPMBSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@@H]1CCC(=NO)C[C@H]1C 252470792 344899003 /nfs/dbraw/zinc/89/90/03/344899003.db2.gz DWUJEJVKWCWSQY-RNFRBKRXSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@H]1CC[C@H](C)C(=NO)C1 252471341 344899026 /nfs/dbraw/zinc/89/90/26/344899026.db2.gz IFVIXLSUAKEPKV-BQBZGAKWSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@@H]1CC[C@@H](C)C(=NO)C1 252471343 344899061 /nfs/dbraw/zinc/89/90/61/344899061.db2.gz IFVIXLSUAKEPKV-RNFRBKRXSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@H]1CC[C@@H](C)CC1=NO 252471344 344899069 /nfs/dbraw/zinc/89/90/69/344899069.db2.gz IFVIXLSUAKEPKV-RQJHMYQMSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@H]1CCC(=NO)C[C@@H]1C 252470790 344899090 /nfs/dbraw/zinc/89/90/90/344899090.db2.gz DWUJEJVKWCWSQY-BQBZGAKWSA-N 0 0 141.214 2.273 10 30 AEEERN C[C@@H]1CC[C@](O)([C@H](C)C#N)[C@H](C)C1 252541905 344900523 /nfs/dbraw/zinc/90/05/23/344900523.db2.gz FHLRANLDZALWHG-GWOFURMSSA-N 0 0 181.279 2.333 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCCC[C@H]1C 252539726 344900562 /nfs/dbraw/zinc/90/05/62/344900562.db2.gz BUHFCKCIWBIYIO-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H](C#N)[C@H](O)[C@H](C)c1ccccc1 252538161 344900643 /nfs/dbraw/zinc/90/06/43/344900643.db2.gz AIMIWOILOURRGO-FOGDFJRCSA-N 0 0 189.258 2.311 10 30 AEEERN C[C@H](C#N)[C@@H](O)[C@H](C)c1ccccc1 252538160 344900787 /nfs/dbraw/zinc/90/07/87/344900787.db2.gz AIMIWOILOURRGO-CKYFFXLPSA-N 0 0 189.258 2.311 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCCC[C@H]1C 252539724 344900812 /nfs/dbraw/zinc/90/08/12/344900812.db2.gz BUHFCKCIWBIYIO-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CCC[C@@](O)([C@H](C)C#N)C1 252547869 344901034 /nfs/dbraw/zinc/90/10/34/344901034.db2.gz LYQLEDDFWXPBFG-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)([C@H](C)O)C1 252546495 344901116 /nfs/dbraw/zinc/90/11/16/344901116.db2.gz KODBXCFQBKAVGI-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@@]1(O)CCC[C@H]1C 252545771 344901165 /nfs/dbraw/zinc/90/11/65/344901165.db2.gz JSOXGUPUXAPWNH-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CCC[C@](O)([C@H](C)C#N)C1 252547868 344901093 /nfs/dbraw/zinc/90/10/93/344901093.db2.gz LYQLEDDFWXPBFG-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CC[C@](O)([C@H](C)C#N)C1 252542606 344901183 /nfs/dbraw/zinc/90/11/83/344901183.db2.gz GBNSRIPGAIVIRL-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CC[C@@](O)([C@H](C)C#N)C1 252542605 344901211 /nfs/dbraw/zinc/90/12/11/344901211.db2.gz GBNSRIPGAIVIRL-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CC[C@@](O)(CC#N)C[C@H]1C 252546111 344901307 /nfs/dbraw/zinc/90/13/07/344901307.db2.gz KCNAVGNSNPOBBD-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CC[C@](C#N)([C@H](C)O)C1 252546494 344901355 /nfs/dbraw/zinc/90/13/55/344901355.db2.gz KODBXCFQBKAVGI-AEJSXWLSSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@@H]1CC[C@](O)(CC#N)C[C@H]1C 252546109 344901433 /nfs/dbraw/zinc/90/14/33/344901433.db2.gz KCNAVGNSNPOBBD-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CCC[C@H]1C 252561698 344901605 /nfs/dbraw/zinc/90/16/05/344901605.db2.gz WMLDJDBFNHMVAI-BBBLOLIVSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CCCC[C@@]1(O)[C@H](C)C#N 252561632 344901613 /nfs/dbraw/zinc/90/16/13/344901613.db2.gz WLAMPDHEFIEZTR-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@@H]1CCC[C@](C#N)([C@H](C)O)C1 252560126 344901715 /nfs/dbraw/zinc/90/17/15/344901715.db2.gz VPBYSQHUHURIDU-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CCC[C@H]1C 252561699 344901908 /nfs/dbraw/zinc/90/19/08/344901908.db2.gz WMLDJDBFNHMVAI-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@@H]1CCCC[C@]1(O)[C@H](C)C#N 252561633 344901946 /nfs/dbraw/zinc/90/19/46/344901946.db2.gz WLAMPDHEFIEZTR-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)[C@]1(O)CCC[C@H]1C 252589711 344903526 /nfs/dbraw/zinc/90/35/26/344903526.db2.gz CBBYGMASQSMXJT-MXWKQRLJSA-N 0 0 181.279 2.477 10 30 AEEERN CC(/C=C/c1ccc(O)cc1)=NO 252589887 344903544 /nfs/dbraw/zinc/90/35/44/344903544.db2.gz AOIRAUWUJSIHDZ-FYLOGXATSA-N 0 0 177.203 2.256 10 30 AEEERN CC(/C=C\c1ccc(O)cc1)=NO 252589889 344903680 /nfs/dbraw/zinc/90/36/80/344903680.db2.gz AOIRAUWUJSIHDZ-QUYUXDBWSA-N 0 0 177.203 2.256 10 30 AEEERN CCC[C@H](C#N)[C@@]1(O)CCC[C@H]1C 252589710 344903840 /nfs/dbraw/zinc/90/38/40/344903840.db2.gz CBBYGMASQSMXJT-GMTAPVOTSA-N 0 0 181.279 2.477 10 30 AEEERN ON=C1CCc2c1[nH]c1ccccc21 252622079 344905331 /nfs/dbraw/zinc/90/53/31/344905331.db2.gz NODAYMBGYRYLKA-UHFFFAOYSA-N 0 0 186.214 2.292 10 30 AEEERN CN1C(=NO)c2cccc3cccc1c23 252629568 344905755 /nfs/dbraw/zinc/90/57/55/344905755.db2.gz UJHGVKSRLMQLBM-UHFFFAOYSA-N 0 0 198.225 2.425 10 30 AEEERN C=C(C)C[C@@H]1CC[C@@H](O)[C@H]1C 252645651 344906126 /nfs/dbraw/zinc/90/61/26/344906126.db2.gz QUOGFPOLGLEPST-LPEHRKFASA-N 0 0 154.253 2.360 10 30 AEEERN CCCCCC(C)=NO 252673893 344907860 /nfs/dbraw/zinc/90/78/60/344907860.db2.gz NGTGENGUUCHSLQ-UHFFFAOYSA-N 0 0 129.203 2.417 10 30 AEEERN C[C@@H]1CCCC(=NO)CC1 252687102 344908294 /nfs/dbraw/zinc/90/82/94/344908294.db2.gz ZUSGBOURLAXKQR-SSDOTTSWSA-N 0 0 141.214 2.417 10 30 AEEERN C#CCCC[C@@H]1CC[C@@H](O)[C@H]1C 252755734 344912372 /nfs/dbraw/zinc/91/23/72/344912372.db2.gz JIINLOBWVQPBPM-HBNTYKKESA-N 0 0 166.264 2.197 10 30 AEEERN CC#CCC[C@@H]1CC[C@@H](O)[C@H]1C 252827316 344915499 /nfs/dbraw/zinc/91/54/99/344915499.db2.gz HWDDWAYNVVBAAK-HBNTYKKESA-N 0 0 166.264 2.197 10 30 AEEERN CCC[C@@H]1CCN([C@H](C)C#N)C1 252878428 344917869 /nfs/dbraw/zinc/91/78/69/344917869.db2.gz XEYCTRXESOFMHU-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN C#CCC[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 252898103 344918234 /nfs/dbraw/zinc/91/82/34/344918234.db2.gz FHOJIRJIPVBDHK-KXNHARMFSA-N 0 0 178.275 2.197 10 30 AEEERN C[C@H](CC#N)NN1[C@H](C)CCC[C@H]1C 252895354 344918350 /nfs/dbraw/zinc/91/83/50/344918350.db2.gz YLZFDZICSNAPIB-GMTAPVOTSA-N 0 0 195.310 2.056 10 30 AEEERN C#CCC[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21 252898104 344918356 /nfs/dbraw/zinc/91/83/56/344918356.db2.gz FHOJIRJIPVBDHK-WHOHXGKFSA-N 0 0 178.275 2.197 10 30 AEEERN C=C(C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 252896390 344918413 /nfs/dbraw/zinc/91/84/13/344918413.db2.gz BLHSBVRVQYYHQD-AYMMMOKOSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21 252903292 344918592 /nfs/dbraw/zinc/91/85/92/344918592.db2.gz OFHGXVNBXHOKEQ-ZDCRXTMVSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 252903291 344918612 /nfs/dbraw/zinc/91/86/12/344918612.db2.gz OFHGXVNBXHOKEQ-VPOLOUISSA-N 0 0 166.264 2.360 10 30 AEEERN C=C(C)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 252904540 344918799 /nfs/dbraw/zinc/91/87/99/344918799.db2.gz QKXUNISBHGAHIF-JXUBOQSCSA-N 0 0 182.263 2.191 10 30 AEEERN C=C(C)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 252904541 344918835 /nfs/dbraw/zinc/91/88/35/344918835.db2.gz QKXUNISBHGAHIF-KATARQTJSA-N 0 0 182.263 2.191 10 30 AEEERN C=C(C)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 252904539 344918910 /nfs/dbraw/zinc/91/89/10/344918910.db2.gz QKXUNISBHGAHIF-IMSYWVGJSA-N 0 0 182.263 2.191 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 253022298 344924566 /nfs/dbraw/zinc/92/45/66/344924566.db2.gz KWZHFNVLFBWQOY-JGPRNRPPSA-N 0 0 193.290 2.067 10 30 AEEERN CC[C@H](C#N)N1CC[C@H](C)[C@@H](C)C1 253067722 344925680 /nfs/dbraw/zinc/92/56/80/344925680.db2.gz KFLZMJAMCITSDX-GARJFASQSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CCN(C2=CC(=O)CC2)C[C@H]1C 253062669 344925884 /nfs/dbraw/zinc/92/58/84/344925884.db2.gz FZKXASWEEOMUJJ-VHSXEESVSA-N 0 0 193.290 2.211 10 30 AEEERN C[C@@H]1CN(C2=CC(=O)CC2)CC[C@H]1C 253062668 344925895 /nfs/dbraw/zinc/92/58/95/344925895.db2.gz FZKXASWEEOMUJJ-NXEZZACHSA-N 0 0 193.290 2.211 10 30 AEEERN CC[C@H](C#N)N1CC[C@@H](C)[C@H](C)C1 253067723 344926153 /nfs/dbraw/zinc/92/61/53/344926153.db2.gz KFLZMJAMCITSDX-GMTAPVOTSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H](C#N)N[C@H]1CC[C@H](C)CC1 253137978 344928249 /nfs/dbraw/zinc/92/82/49/344928249.db2.gz UVDOZXHOUBVRGI-GUBZILKMSA-N 0 0 166.268 2.067 10 30 AEEERN C=CCC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 253177451 344929576 /nfs/dbraw/zinc/92/95/76/344929576.db2.gz AZZYTKBOBKJYOC-REIXXSIJSA-N 0 0 182.263 2.191 10 30 AEEERN C=CCC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 253177450 344929809 /nfs/dbraw/zinc/92/98/09/344929809.db2.gz AZZYTKBOBKJYOC-HJGDQZAQSA-N 0 0 182.263 2.191 10 30 AEEERN C=CCC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 253177449 344929895 /nfs/dbraw/zinc/92/98/95/344929895.db2.gz AZZYTKBOBKJYOC-DKIAZLNASA-N 0 0 182.263 2.191 10 30 AEEERN C#CCC[C@H](O)[C@@H]1CCC[C@H]1C 253183614 344930427 /nfs/dbraw/zinc/93/04/27/344930427.db2.gz LPSHYDRGYZPEQM-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C#CCC[C@H](O)[C@H]1CCC[C@H]1C 253183615 344930517 /nfs/dbraw/zinc/93/05/17/344930517.db2.gz LPSHYDRGYZPEQM-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN CC#CCC(=O)[C@@H]1[C@H]2CCC[C@H]21 253194700 344930800 /nfs/dbraw/zinc/93/08/00/344930800.db2.gz QNFFUCRIWAMOTO-JZYVYDRUSA-N 0 0 162.232 2.015 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CCC[C@H]1C 253189802 344930867 /nfs/dbraw/zinc/93/08/67/344930867.db2.gz ZFWCWTZROFDCJB-IWSPIJDZSA-N 0 0 165.236 2.151 10 30 AEEERN CC#CCC(=O)[C@@H]1[C@H]2CCCC[C@H]21 253191230 344930873 /nfs/dbraw/zinc/93/08/73/344930873.db2.gz LXKYFTGEMRAIQG-IAZYJMLFSA-N 0 0 176.259 2.405 10 30 AEEERN C=CCC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 253195240 344931006 /nfs/dbraw/zinc/93/10/06/344931006.db2.gz RHWABWOEKSLKSA-AYMMMOKOSA-N 0 0 150.221 2.178 10 30 AEEERN C#CCC(=O)[C@@H]1[C@H]2CCCC[C@H]21 253195229 344931022 /nfs/dbraw/zinc/93/10/22/344931022.db2.gz RGWCYLQNGSEENG-JZYVYDRUSA-N 0 0 162.232 2.015 10 30 AEEERN C[C@H](C#N)C(=O)[C@H]1CCC[C@H]1C 253189801 344931110 /nfs/dbraw/zinc/93/11/10/344931110.db2.gz ZFWCWTZROFDCJB-HLTSFMKQSA-N 0 0 165.236 2.151 10 30 AEEERN C=CC(=O)[C@@H]1[C@H]2CCCC[C@H]21 253197828 344931534 /nfs/dbraw/zinc/93/15/34/344931534.db2.gz VHBBQMLKUKWRAE-MBTKJCJQSA-N 0 0 150.221 2.178 10 30 AEEERN C#CCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21 253199002 344931600 /nfs/dbraw/zinc/93/16/00/344931600.db2.gz WBIMFSVPFDHPRI-IAZYJMLFSA-N 0 0 176.259 2.405 10 30 AEEERN CC#CCC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 253199792 344931612 /nfs/dbraw/zinc/93/16/12/344931612.db2.gz WUWLIFZHWWIVOE-ILWJIGKKSA-N 0 0 162.232 2.015 10 30 AEEERN C=CCC(=O)[C@@H]1[C@H]2CCC[C@H]21 253197026 344931614 /nfs/dbraw/zinc/93/16/14/344931614.db2.gz UKOSXIDTPCRYJA-MBTKJCJQSA-N 0 0 150.221 2.178 10 30 AEEERN CC1(C)[C@]2(C)CC[C@@]1(C#N)C[C@H]2O 253590268 344934732 /nfs/dbraw/zinc/93/47/32/344934732.db2.gz UAGWSEUAVRIMBW-IEBDPFPHSA-N 0 0 179.263 2.087 10 30 AEEERN CC(=NO)c1ccc2c(c1)CCC2 254291279 344935328 /nfs/dbraw/zinc/93/53/28/344935328.db2.gz OZQPZHZGJWHZRU-UHFFFAOYSA-N 0 0 175.231 2.374 10 30 AEEERN Cc1cccc(C)c1C=NO 254384122 344935409 /nfs/dbraw/zinc/93/54/09/344935409.db2.gz NCDRLKCHBVXWEL-UHFFFAOYSA-N 0 0 149.193 2.112 10 30 AEEERN CC(=NN)c1ccc(Cl)s1 254392372 344936075 /nfs/dbraw/zinc/93/60/75/344936075.db2.gz IWCZDQHKGFBYGB-UHFFFAOYSA-N 0 0 174.656 2.084 10 30 AEEERN ON=C(c1ccccc1)c1cccnc1 254429324 344935813 /nfs/dbraw/zinc/93/58/13/344935813.db2.gz FGZWUGRXNSVUEQ-UHFFFAOYSA-N 0 0 198.225 2.308 10 30 AEEERN CN(C)N=Cc1ccc(Cl)cc1 254440041 344935849 /nfs/dbraw/zinc/93/58/49/344935849.db2.gz JWRGEPOIPOSDQN-UHFFFAOYSA-N 0 0 182.654 2.236 10 30 AEEERN C(=Nc1nccs1)c1cccnc1 254509143 344935876 /nfs/dbraw/zinc/93/58/76/344935876.db2.gz OQKOABYANBSXPN-UHFFFAOYSA-N 0 0 189.243 2.289 10 30 AEEERN CC(=NO)c1ccc(F)s1 254444717 344935955 /nfs/dbraw/zinc/93/59/55/344935955.db2.gz RSTSNZBTXCHQFH-UHFFFAOYSA-N 0 0 159.185 2.085 10 30 AEEERN CC(C)(C)NN=Cc1cccs1 254481718 344935980 /nfs/dbraw/zinc/93/59/80/344935980.db2.gz IYRMTZCDLKTEKU-UHFFFAOYSA-N 0 0 182.292 2.470 10 30 AEEERN Cc1[nH]c2ccccc2c1C=NO 254715091 344936337 /nfs/dbraw/zinc/93/63/37/344936337.db2.gz LIYOPAGSFBPNBS-UHFFFAOYSA-N 0 0 174.203 2.284 10 30 AEEERN Cc1ccc(C=NN2CCCCC2)o1 254738366 344936359 /nfs/dbraw/zinc/93/63/59/344936359.db2.gz WYHVUCOLBXOMMH-UHFFFAOYSA-N 0 0 192.262 2.408 10 30 AEEERN ON=C(c1ccccc1)C1CC1 256477199 344940924 /nfs/dbraw/zinc/94/09/24/344940924.db2.gz RVNAYDOTXJROPF-UHFFFAOYSA-N 0 0 161.204 2.275 10 30 AEEERN ON=C(Cl)c1c(F)cccc1F 256881433 344941132 /nfs/dbraw/zinc/94/11/32/344941132.db2.gz QBIPVAANFKTSIG-UHFFFAOYSA-N 0 0 191.564 2.339 10 30 AEEERN Cc1cccc2c(C=NO)c[nH]c12 257352422 344941538 /nfs/dbraw/zinc/94/15/38/344941538.db2.gz LFLOPQANRUOMIH-UHFFFAOYSA-N 0 0 174.203 2.284 10 30 AEEERN Cc1ccc(NN=C(C#N)C#N)cc1 257353201 344941846 /nfs/dbraw/zinc/94/18/46/344941846.db2.gz PVMNLJXFLNGWDN-UHFFFAOYSA-N 0 0 184.202 2.494 10 30 AEEERN ON=Cc1ccc2scnc2c1 257353463 344941971 /nfs/dbraw/zinc/94/19/71/344941971.db2.gz RIHMCGDFUVCGGH-UHFFFAOYSA-N 0 0 178.216 2.104 10 30 AEEERN ON=Cc1cnc2ccccc2c1 257353823 344942029 /nfs/dbraw/zinc/94/20/29/344942029.db2.gz UDWKFPQPWSWXHC-UHFFFAOYSA-N 0 0 172.187 2.043 10 30 AEEERN CC(C)n1nc2c(c1C#N)CCCC2 257854266 344943180 /nfs/dbraw/zinc/94/31/80/344943180.db2.gz PRIXAKXJTGETMT-UHFFFAOYSA-N 0 0 189.262 2.214 10 30 AEEERN C=CCN1C[C@@H](C)Oc2ccccc21 259139064 344947278 /nfs/dbraw/zinc/94/72/78/344947278.db2.gz AZKFZIGQXVVGAH-SNVBAGLBSA-N 0 0 189.258 2.460 10 30 AEEERN C=CCN1C[C@H](C)Oc2ccccc21 259139061 344947389 /nfs/dbraw/zinc/94/73/89/344947389.db2.gz AZKFZIGQXVVGAH-JTQLQIEISA-N 0 0 189.258 2.460 10 30 AEEERN Cc1nc(C#N)cc(C2CCCC2)n1 259077431 344947433 /nfs/dbraw/zinc/94/74/33/344947433.db2.gz AVPJCCYDUIFPDI-UHFFFAOYSA-N 0 0 187.246 2.314 10 30 AEEERN CC(C)[C@H](C#N)c1ccc[nH]1 259340415 344948482 /nfs/dbraw/zinc/94/84/82/344948482.db2.gz SMNQXXXASOYRDJ-QMMMGPOBSA-N 0 0 148.209 2.278 10 30 AEEERN CC(C)[C@@H](C#N)c1ccc[nH]1 259340413 344948610 /nfs/dbraw/zinc/94/86/10/344948610.db2.gz SMNQXXXASOYRDJ-MRVPVSSYSA-N 0 0 148.209 2.278 10 30 AEEERN C=CCN1CCOc2ccccc21 259383149 344948627 /nfs/dbraw/zinc/94/86/27/344948627.db2.gz QHNSQGMACBEQBX-UHFFFAOYSA-N 0 0 175.231 2.071 10 30 AEEERN CC(C)(C=O)c1ccccc1[N+](=O)[O-] 259461812 344949236 /nfs/dbraw/zinc/94/92/36/344949236.db2.gz GOAJJUKLDMFZLO-UHFFFAOYSA-N 0 0 193.202 2.071 10 30 AEEERN N#Cc1cnccc1NCc1ccco1 259626082 344950025 /nfs/dbraw/zinc/95/00/25/344950025.db2.gz FQGXEQHDCGPMEO-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN N#CCc1c[nH]nc1-c1cccs1 259639689 344950071 /nfs/dbraw/zinc/95/00/71/344950071.db2.gz IMCKXQWVGVNGKO-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN N#Cc1c[nH]nc1Nc1ccccc1 259730862 344950473 /nfs/dbraw/zinc/95/04/73/344950473.db2.gz NTRVTDZSRYMBKG-UHFFFAOYSA-N 0 0 184.202 2.025 10 30 AEEERN CCSCc1nc(C#N)cs1 259908972 344951338 /nfs/dbraw/zinc/95/13/38/344951338.db2.gz BDASJODIDJYJNC-UHFFFAOYSA-N 0 0 184.289 2.268 10 30 AEEERN CC(C)C[C@H]1COC(CCC#N)=N1 260074194 344952055 /nfs/dbraw/zinc/95/20/55/344952055.db2.gz NANLJPVRRRCTID-VIFPVBQESA-N 0 0 180.251 2.134 10 30 AEEERN CC(=O)[C@@H](C)c1ccccc1C#N 259950699 344952170 /nfs/dbraw/zinc/95/21/70/344952170.db2.gz GRXSRMDOUNRJLM-MRVPVSSYSA-N 0 0 173.215 2.251 10 30 AEEERN N#Cc1cnccc1NC1CCCC1 260105635 344952483 /nfs/dbraw/zinc/95/24/83/344952483.db2.gz HRPMSPFTAGZOSI-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN CC(C)(C#N)CC(F)(F)F 260122455 344952554 /nfs/dbraw/zinc/95/25/54/344952554.db2.gz CRJCCJXMKBCEJD-UHFFFAOYSA-N 0 0 151.131 2.489 10 30 AEEERN Cc1cnc(-c2ccccc2C#N)nc1 260712791 344953349 /nfs/dbraw/zinc/95/33/49/344953349.db2.gz MFGTXGSACXQXKZ-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1ccc(-c2ccc(N)cc2)cn1 260770217 344953426 /nfs/dbraw/zinc/95/34/26/344953426.db2.gz IENMJWQTEXSXLP-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN N#Cc1cc(C2CC2)nc(C2CC2)n1 260883934 344953967 /nfs/dbraw/zinc/95/39/67/344953967.db2.gz AWRKTRSKMFIVEU-UHFFFAOYSA-N 0 0 185.230 2.103 10 30 AEEERN CC(C)(C#N)CC(F)F 260885948 344954028 /nfs/dbraw/zinc/95/40/28/344954028.db2.gz ONJCAXYFCJJOGW-UHFFFAOYSA-N 0 0 133.141 2.191 10 30 AEEERN CC(C)c1cc(C#N)nc(C2CC2)n1 261040179 344954535 /nfs/dbraw/zinc/95/45/35/344954535.db2.gz COZGDRGVOHWZCO-UHFFFAOYSA-N 0 0 187.246 2.349 10 30 AEEERN N#Cc1cc(C2CCCC2)ncn1 261136181 344954908 /nfs/dbraw/zinc/95/49/08/344954908.db2.gz NPKMSPRKJFVZML-UHFFFAOYSA-N 0 0 173.219 2.006 10 30 AEEERN N#Cc1cc(C2CCCCC2)ncn1 261170950 344955301 /nfs/dbraw/zinc/95/53/01/344955301.db2.gz ZYLOMFORVUEUPY-UHFFFAOYSA-N 0 0 187.246 2.396 10 30 AEEERN N#CCc1c[nH]nc1-c1ccccc1 261293395 344955440 /nfs/dbraw/zinc/95/54/40/344955440.db2.gz MQECMNOQGMNKCY-UHFFFAOYSA-N 0 0 183.214 2.143 10 30 AEEERN N#CCCc1c[nH]nc1C1CCC1 261312874 344955863 /nfs/dbraw/zinc/95/58/63/344955863.db2.gz YNJPVDJWDSKJDV-UHFFFAOYSA-N 0 0 175.235 2.133 10 30 AEEERN CC(C)CNc1ccncc1C#N 261328924 344956001 /nfs/dbraw/zinc/95/60/01/344956001.db2.gz SIBDAXVWWWMLNM-UHFFFAOYSA-N 0 0 175.235 2.021 10 30 AEEERN CC(C)Cc1n[nH]cc1CCC#N 261306545 344956082 /nfs/dbraw/zinc/95/60/82/344956082.db2.gz UTIVKYZIDNTKEQ-UHFFFAOYSA-N 0 0 177.251 2.064 10 30 AEEERN CN[C@H](C#N)[C@H]1CC(C)=C[C@H](C)C1 300011313 344962038 /nfs/dbraw/zinc/96/20/38/344962038.db2.gz IXPLXRHUZDKZBI-JMJZKYOTSA-N 0 0 178.279 2.090 10 30 AEEERN CN[C@H](C#N)[C@@H]1CC(C)=C[C@H](C)C1 300011311 344962185 /nfs/dbraw/zinc/96/21/85/344962185.db2.gz IXPLXRHUZDKZBI-INTQDDNPSA-N 0 0 178.279 2.090 10 30 AEEERN C#CC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1 300012881 344962851 /nfs/dbraw/zinc/96/28/51/344962851.db2.gz UIAFONSYNCEQSR-DLOVCJGASA-N 0 0 178.275 2.363 10 30 AEEERN C#CC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 300012882 344962860 /nfs/dbraw/zinc/96/28/60/344962860.db2.gz UIAFONSYNCEQSR-WCQGTBRESA-N 0 0 178.275 2.363 10 30 AEEERN CC[C@H](C)c1noc([C@@H]2C[C@H]2C#N)n1 300051727 344967729 /nfs/dbraw/zinc/96/77/29/344967729.db2.gz QXTKWXZYOWFSJC-BIIVOSGPSA-N 0 0 191.234 2.210 10 30 AEEERN CC[C@H](C)c1noc([C@H]2C[C@H]2C#N)n1 300051729 344968016 /nfs/dbraw/zinc/96/80/16/344968016.db2.gz QXTKWXZYOWFSJC-FXQIFTODSA-N 0 0 191.234 2.210 10 30 AEEERN CC#CC[C@H](O)[C@@H]1CCC[C@H]1C 300211710 344971083 /nfs/dbraw/zinc/97/10/83/344971083.db2.gz RWYFOWXWGYCJRJ-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CCC[C@H]1C 300211349 344971200 /nfs/dbraw/zinc/97/12/00/344971200.db2.gz PPNRQHJDBWHCJN-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CCC[C@H]1C 300211350 344971291 /nfs/dbraw/zinc/97/12/91/344971291.db2.gz PPNRQHJDBWHCJN-UTLUCORTSA-N 0 0 154.253 2.360 10 30 AEEERN CC#CC[C@H](O)[C@H]1CCC[C@H]1C 300211712 344971329 /nfs/dbraw/zinc/97/13/29/344971329.db2.gz RWYFOWXWGYCJRJ-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN CC[C@](C)(C#N)[C@H](O)[C@H]1CCSC1 300232041 344972344 /nfs/dbraw/zinc/97/23/44/344972344.db2.gz JXXOMKSLUHOQOC-IVZWLZJFSA-N 0 0 199.319 2.040 10 30 AEEERN CC[C@](C)(C#N)[C@@H](O)[C@H]1CCSC1 300232042 344972384 /nfs/dbraw/zinc/97/23/84/344972384.db2.gz JXXOMKSLUHOQOC-LPEHRKFASA-N 0 0 199.319 2.040 10 30 AEEERN C[C@@H]1OCC[C@@H]1SC[C@H](C)C#N 300337561 344974138 /nfs/dbraw/zinc/97/41/38/344974138.db2.gz NYPONLVQJPQRRZ-VGMNWLOBSA-N 0 0 185.292 2.057 10 30 AEEERN C[C@@H]1OCC[C@@H]1S[C@H](C)CC#N 300336049 344974268 /nfs/dbraw/zinc/97/42/68/344974268.db2.gz HCIXUMBYNVLHCC-VGMNWLOBSA-N 0 0 185.292 2.199 10 30 AEEERN C[C@@H]1OCC[C@H]1S[C@H](C)CC#N 300336048 344974283 /nfs/dbraw/zinc/97/42/83/344974283.db2.gz HCIXUMBYNVLHCC-HRDYMLBCSA-N 0 0 185.292 2.199 10 30 AEEERN C[C@@H]1OCC[C@H]1SC[C@H](C)C#N 300337560 344974354 /nfs/dbraw/zinc/97/43/54/344974354.db2.gz NYPONLVQJPQRRZ-HRDYMLBCSA-N 0 0 185.292 2.057 10 30 AEEERN CC[C@H](C)N[C@@]1(C#N)CCS[C@H]1C 300351637 344974622 /nfs/dbraw/zinc/97/46/22/344974622.db2.gz CBZVSZLXJLASOZ-LPEHRKFASA-N 0 0 198.335 2.162 10 30 AEEERN CC[C@H](C)N[C@]1(C#N)CCS[C@H]1C 300351636 344974753 /nfs/dbraw/zinc/97/47/53/344974753.db2.gz CBZVSZLXJLASOZ-GUBZILKMSA-N 0 0 198.335 2.162 10 30 AEEERN CCN(CC#N)CCC1CCCC1 300716759 344982778 /nfs/dbraw/zinc/98/27/78/344982778.db2.gz FPLZTBAANRVHJV-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN CC(C)(C)C#CC[C@H](N)C(F)(F)F 300719210 344983159 /nfs/dbraw/zinc/98/31/59/344983159.db2.gz AUIVFEWKUFIWIM-ZETCQYMHSA-N 0 0 193.212 2.316 10 30 AEEERN CC(C)(C)C#CCC(=O)C(F)F 300721928 344983302 /nfs/dbraw/zinc/98/33/02/344983302.db2.gz BYJKHFRIISJCJH-UHFFFAOYSA-N 0 0 174.190 2.260 10 30 AEEERN CC(C)(C)C#CCNOC(C)(C)C 300718284 344983341 /nfs/dbraw/zinc/98/33/41/344983341.db2.gz AENZVIXHRCHLMD-UHFFFAOYSA-N 0 0 183.295 2.356 10 30 AEEERN CC(C)(C)C#CC[C@@H](N)C(F)(F)F 300719209 344983350 /nfs/dbraw/zinc/98/33/50/344983350.db2.gz AUIVFEWKUFIWIM-SSDOTTSWSA-N 0 0 193.212 2.316 10 30 AEEERN CCC(=O)CC#CC(C)(C)C 300722988 344983685 /nfs/dbraw/zinc/98/36/85/344983685.db2.gz CGWLFWWJVRFDMF-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN C=CC(=O)C=C=CC(C)(C)C 300724284 344983734 /nfs/dbraw/zinc/98/37/34/344983734.db2.gz CSBRGLZVGPSDFN-UHFFFAOYSA-N 0 0 150.221 2.181 10 30 AEEERN CC(C)[C@@H](O)CC#CC(C)(C)C 300731823 344984130 /nfs/dbraw/zinc/98/41/30/344984130.db2.gz FWXDAUCYKJLUAK-JTQLQIEISA-N 0 0 168.280 2.443 10 30 AEEERN CC(C)(C)C#CCc1cnc(N)s1 300729735 344984210 /nfs/dbraw/zinc/98/42/10/344984210.db2.gz FHVWDLWKHVDVPG-UHFFFAOYSA-N 0 0 194.303 2.317 10 30 AEEERN CC(C)[C@H](O)CC#CC(C)(C)C 300731824 344984472 /nfs/dbraw/zinc/98/44/72/344984472.db2.gz FWXDAUCYKJLUAK-SNVBAGLBSA-N 0 0 168.280 2.443 10 30 AEEERN CC(C)(C)C#CC[C@@H](NN)C(C)(C)C 300737625 344984952 /nfs/dbraw/zinc/98/49/52/344984952.db2.gz HOXXRDCBXWEPKD-SNVBAGLBSA-N 0 0 196.338 2.304 10 30 AEEERN CC(C)(C)C#CC[C@H](NN)C(C)(C)C 300737623 344985024 /nfs/dbraw/zinc/98/50/24/344985024.db2.gz HOXXRDCBXWEPKD-JTQLQIEISA-N 0 0 196.338 2.304 10 30 AEEERN CC(=O)CC#CC(C)(C)C 300738635 344985051 /nfs/dbraw/zinc/98/50/51/344985051.db2.gz HWMGCLCZHXNUDH-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CCc1nccn1CC#CC(C)(C)C 300735422 344985097 /nfs/dbraw/zinc/98/50/97/344985097.db2.gz GZHYSAZOXXIDHB-UHFFFAOYSA-N 0 0 190.290 2.495 10 30 AEEERN CC(C)(C)C#CCCC=O 300739589 344985212 /nfs/dbraw/zinc/98/52/12/344985212.db2.gz ICFDGYWYHJGQNQ-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CC(C)(C)C#CC[C@H](NN)C1CCC1 300744659 344986341 /nfs/dbraw/zinc/98/63/41/344986341.db2.gz JDVAPTWGQHGGNV-NSHDSACASA-N 0 0 194.322 2.058 10 30 AEEERN CC(C)(C)C#CC[C@@H](NN)C1CCC1 300744658 344986168 /nfs/dbraw/zinc/98/61/68/344986168.db2.gz JDVAPTWGQHGGNV-LLVKDONJSA-N 0 0 194.322 2.058 10 30 AEEERN CC(C)(C)C#CCCCC=O 300745680 344987039 /nfs/dbraw/zinc/98/70/39/344987039.db2.gz JKBRDXGCOVZZHD-UHFFFAOYSA-N 0 0 152.237 2.405 10 30 AEEERN c1cc2c(cc1C[C@H]1CO1)CCC2 300750291 344988021 /nfs/dbraw/zinc/98/80/21/344988021.db2.gz KEGCXOUYDDKCEQ-LBPRGKRZSA-N 0 0 174.243 2.117 10 30 AEEERN C#CC(=O)CCC(C)(C)C 300750450 344988034 /nfs/dbraw/zinc/98/80/34/344988034.db2.gz RANRBKIKEUPDPV-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN c1cc2c(cc1C[C@@H]1CO1)CCC2 300750289 344988133 /nfs/dbraw/zinc/98/81/33/344988133.db2.gz KEGCXOUYDDKCEQ-GFCCVEGCSA-N 0 0 174.243 2.117 10 30 AEEERN C=CC(=O)[C@H]1CCC(F)(F)C1 300752599 344989029 /nfs/dbraw/zinc/98/90/29/344989029.db2.gz SAWGKTXULIFYOU-LURJTMIESA-N 0 0 160.163 2.177 10 30 AEEERN C=CC(=O)[C@@H]1CCC(F)(F)C1 300752600 344989139 /nfs/dbraw/zinc/98/91/39/344989139.db2.gz SAWGKTXULIFYOU-ZCFIWIBFSA-N 0 0 160.163 2.177 10 30 AEEERN O=CCC[C@@H]1CCC(F)(F)C1 300755367 344989469 /nfs/dbraw/zinc/98/94/69/344989469.db2.gz JPBNHKKXFUVMQD-SSDOTTSWSA-N 0 0 162.179 2.401 10 30 AEEERN O=CCC[C@H]1CCC(F)(F)C1 300755368 344989661 /nfs/dbraw/zinc/98/96/61/344989661.db2.gz JPBNHKKXFUVMQD-ZETCQYMHSA-N 0 0 162.179 2.401 10 30 AEEERN COC(C)(C)C(=O)CC#CC(C)(C)C 300757856 344990728 /nfs/dbraw/zinc/99/07/28/344990728.db2.gz MYVVZJQQKVHBSI-UHFFFAOYSA-N 0 0 196.290 2.420 10 30 AEEERN C#CCCNc1cc(OC)ccc1C 300757629 344990828 /nfs/dbraw/zinc/99/08/28/344990828.db2.gz FRTSRTDIFYFWAE-UHFFFAOYSA-N 0 0 189.258 2.439 10 30 AEEERN C#CCC(=O)[C@@H]1CCC(F)(F)C1 300767118 344992968 /nfs/dbraw/zinc/99/29/68/344992968.db2.gz OXIKKAJREVLRBT-SSDOTTSWSA-N 0 0 172.174 2.014 10 30 AEEERN C#CCNc1cc(OC)ccc1C 300765323 344993032 /nfs/dbraw/zinc/99/30/32/344993032.db2.gz RJBMTJKVQCKHFE-UHFFFAOYSA-N 0 0 175.231 2.049 10 30 AEEERN C#CCC(=O)[C@H]1CCC(F)(F)C1 300767119 344993307 /nfs/dbraw/zinc/99/33/07/344993307.db2.gz OXIKKAJREVLRBT-ZETCQYMHSA-N 0 0 172.174 2.014 10 30 AEEERN C#CCNc1cccc(C)c1F 300770761 344994586 /nfs/dbraw/zinc/99/45/86/344994586.db2.gz GLGJAZPPVBKBBZ-UHFFFAOYSA-N 0 0 163.195 2.179 10 30 AEEERN C#CC(=O)[C@@H]1CCCC(F)(F)C1 300776973 344995975 /nfs/dbraw/zinc/99/59/75/344995975.db2.gz SSXMZOKIYWMSPR-SSDOTTSWSA-N 0 0 172.174 2.014 10 30 AEEERN C#CC(=O)[C@H]1CCCC(F)(F)C1 300776975 344996056 /nfs/dbraw/zinc/99/60/56/344996056.db2.gz SSXMZOKIYWMSPR-ZETCQYMHSA-N 0 0 172.174 2.014 10 30 AEEERN CC(C)(C)C#CCC(=O)C1CC1 300783080 344996918 /nfs/dbraw/zinc/99/69/18/344996918.db2.gz RUSQPSRWHSUQFA-UHFFFAOYSA-N 0 0 164.248 2.405 10 30 AEEERN CC(C)(C)C#CC[C@H]1CSCC1=O 300788047 344997507 /nfs/dbraw/zinc/99/75/07/344997507.db2.gz SPSNHLPDJINTJU-VIFPVBQESA-N 0 0 196.315 2.358 10 30 AEEERN CC(C)(C)C#CC[C@@H]1CSCC1=O 300788045 344997608 /nfs/dbraw/zinc/99/76/08/344997608.db2.gz SPSNHLPDJINTJU-SECBINFHSA-N 0 0 196.315 2.358 10 30 AEEERN C=CCC(=O)[C@H](C)CSC 300788411 344998307 /nfs/dbraw/zinc/99/83/07/344998307.db2.gz XIJMZPUSJTZXNY-SSDOTTSWSA-N 0 0 158.266 2.131 10 30 AEEERN C=CCC(=O)[C@@H](C)CSC 300788414 344998448 /nfs/dbraw/zinc/99/84/48/344998448.db2.gz XIJMZPUSJTZXNY-ZETCQYMHSA-N 0 0 158.266 2.131 10 30 AEEERN O=CC[C@@H]1CCCC(F)(F)C1 300796206 344999315 /nfs/dbraw/zinc/99/93/15/344999315.db2.gz ZXQQGRCBCDZAFX-ZETCQYMHSA-N 0 0 162.179 2.401 10 30 AEEERN N#CCC(=O)[C@@H]1CCCC(F)(F)C1 300797201 344999856 /nfs/dbraw/zinc/99/98/56/344999856.db2.gz ABPWFVSYSKHNMR-SSDOTTSWSA-N 0 0 187.189 2.295 10 30 AEEERN N#CCC(=O)[C@H]1CCCC(F)(F)C1 300797203 345000063 /nfs/dbraw/zinc/00/00/63/345000063.db2.gz ABPWFVSYSKHNMR-ZETCQYMHSA-N 0 0 187.189 2.295 10 30 AEEERN C=C[C@@H](SCC(C)C)C(=O)OC 300807317 345000589 /nfs/dbraw/zinc/00/05/89/345000589.db2.gz ADPDUNHZPGSNFQ-MRVPVSSYSA-N 0 0 188.292 2.103 10 30 AEEERN C=C[C@H](SCC(C)C)C(=O)OC 300807319 345000675 /nfs/dbraw/zinc/00/06/75/345000675.db2.gz ADPDUNHZPGSNFQ-QMMMGPOBSA-N 0 0 188.292 2.103 10 30 AEEERN C#CCCC(=O)[C@@H]1CCC(F)(F)C1 300808405 345000683 /nfs/dbraw/zinc/00/06/83/345000683.db2.gz BSHWNXXUOZPYOX-MRVPVSSYSA-N 0 0 186.201 2.404 10 30 AEEERN C#CCCC(=O)[C@H]1CCC(F)(F)C1 300808411 345000688 /nfs/dbraw/zinc/00/06/88/345000688.db2.gz BSHWNXXUOZPYOX-QMMMGPOBSA-N 0 0 186.201 2.404 10 30 AEEERN CC#CCC(=O)[C@@H]1CCC(F)(F)C1 300813569 345001058 /nfs/dbraw/zinc/00/10/58/345001058.db2.gz CIWIHPSSVOZDDP-MRVPVSSYSA-N 0 0 186.201 2.404 10 30 AEEERN CC#CCCC(=O)[C@@H]1CCOC[C@@H]1C 300814328 345001070 /nfs/dbraw/zinc/00/10/70/345001070.db2.gz AVDMLKHQZWITNH-WDEREUQCSA-N 0 0 194.274 2.032 10 30 AEEERN CC#CCC(=O)[C@H]1CCC(F)(F)C1 300813571 345001098 /nfs/dbraw/zinc/00/10/98/345001098.db2.gz CIWIHPSSVOZDDP-QMMMGPOBSA-N 0 0 186.201 2.404 10 30 AEEERN CC#CCCC(=O)[C@@H]1CCOC[C@H]1C 300814322 345001118 /nfs/dbraw/zinc/00/11/18/345001118.db2.gz AVDMLKHQZWITNH-GHMZBOCLSA-N 0 0 194.274 2.032 10 30 AEEERN CC#CCCC(=O)[C@H]1CCOC[C@@H]1C 300814326 345001244 /nfs/dbraw/zinc/00/12/44/345001244.db2.gz AVDMLKHQZWITNH-QWRGUYRKSA-N 0 0 194.274 2.032 10 30 AEEERN CC#CCCC(=O)[C@H]1CCOC[C@H]1C 300814324 345001355 /nfs/dbraw/zinc/00/13/55/345001355.db2.gz AVDMLKHQZWITNH-MNOVXSKESA-N 0 0 194.274 2.032 10 30 AEEERN C#C[C@H](C)Nc1cc(OC)ccc1C 300818623 345001650 /nfs/dbraw/zinc/00/16/50/345001650.db2.gz AJYIKUMOLWGOON-JTQLQIEISA-N 0 0 189.258 2.437 10 30 AEEERN Cc1nccn1CC#CC(C)(C)C 300819125 345001719 /nfs/dbraw/zinc/00/17/19/345001719.db2.gz YWRKHXFXJVJNLP-UHFFFAOYSA-N 0 0 176.263 2.241 10 30 AEEERN CCc1ccc(NCC#N)cc1C 300817653 345001755 /nfs/dbraw/zinc/00/17/55/345001755.db2.gz AENSYODJVRJPBZ-UHFFFAOYSA-N 0 0 174.247 2.493 10 30 AEEERN C#C[C@@H](C)Nc1cc(OC)ccc1C 300818625 345001836 /nfs/dbraw/zinc/00/18/36/345001836.db2.gz AJYIKUMOLWGOON-SNVBAGLBSA-N 0 0 189.258 2.437 10 30 AEEERN C#CCC(=O)[C@H]1CCCC(F)(F)C1 300829300 345003748 /nfs/dbraw/zinc/00/37/48/345003748.db2.gz FBGPCLCMKLGVEY-QMMMGPOBSA-N 0 0 186.201 2.404 10 30 AEEERN C#CCC(=O)[C@@H]1CCCC(F)(F)C1 300829298 345003784 /nfs/dbraw/zinc/00/37/84/345003784.db2.gz FBGPCLCMKLGVEY-MRVPVSSYSA-N 0 0 186.201 2.404 10 30 AEEERN CCc1cc(NCC#N)ccc1C 300840638 345004073 /nfs/dbraw/zinc/00/40/73/345004073.db2.gz FDNDVCRFLOYNKQ-UHFFFAOYSA-N 0 0 174.247 2.493 10 30 AEEERN CC(C)C[C@@H](C)CN(C)CC#N 300837785 345004079 /nfs/dbraw/zinc/00/40/79/345004079.db2.gz CTOJHFCITNWDSA-SNVBAGLBSA-N 0 0 168.284 2.124 10 30 AEEERN CC(C)C[C@H](C)CN(C)CC#N 300837783 345004278 /nfs/dbraw/zinc/00/42/78/345004278.db2.gz CTOJHFCITNWDSA-JTQLQIEISA-N 0 0 168.284 2.124 10 30 AEEERN CN[C@@H](C#N)C1CCCCCCC1 300845317 345004629 /nfs/dbraw/zinc/00/46/29/345004629.db2.gz KSKZIKOQPQBGQP-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CN[C@H](C#N)C1CCCCCCC1 300845316 345004933 /nfs/dbraw/zinc/00/49/33/345004933.db2.gz KSKZIKOQPQBGQP-LLVKDONJSA-N 0 0 180.295 2.458 10 30 AEEERN C#C[C@H](Nc1ncccc1C)C(C)C 300854653 345005830 /nfs/dbraw/zinc/00/58/30/345005830.db2.gz FRZAFIKGGBXPQD-NSHDSACASA-N 0 0 188.274 2.460 10 30 AEEERN C#C[C@@H](Nc1ncccc1C)C(C)C 300854652 345005907 /nfs/dbraw/zinc/00/59/07/345005907.db2.gz FRZAFIKGGBXPQD-LLVKDONJSA-N 0 0 188.274 2.460 10 30 AEEERN CC(C)n1ccc(N[C@H](C)CC#N)n1 300865076 345007007 /nfs/dbraw/zinc/00/70/07/345007007.db2.gz ONZJOGKLYGXTKY-SECBINFHSA-N 0 0 192.266 2.178 10 30 AEEERN CC(C)n1ccc(N[C@@H](C)CC#N)n1 300865077 345007234 /nfs/dbraw/zinc/00/72/34/345007234.db2.gz ONZJOGKLYGXTKY-VIFPVBQESA-N 0 0 192.266 2.178 10 30 AEEERN CS[C@H]1CCCN([C@H](C)C#N)CC1 300869650 345007544 /nfs/dbraw/zinc/00/75/44/345007544.db2.gz QKVBPKLFCOBYQE-ZJUUUORDSA-N 0 0 198.335 2.116 10 30 AEEERN CS[C@@H]1CCCN([C@@H](C)C#N)CC1 300869649 345007593 /nfs/dbraw/zinc/00/75/93/345007593.db2.gz QKVBPKLFCOBYQE-VHSXEESVSA-N 0 0 198.335 2.116 10 30 AEEERN CS[C@@H]1CCCN([C@H](C)C#N)CC1 300869647 345007715 /nfs/dbraw/zinc/00/77/15/345007715.db2.gz QKVBPKLFCOBYQE-NXEZZACHSA-N 0 0 198.335 2.116 10 30 AEEERN C#C[C@@H](Nc1ccccn1)C(C)C 300885788 345009182 /nfs/dbraw/zinc/00/91/82/345009182.db2.gz STHFQMVUVNXFSA-SNVBAGLBSA-N 0 0 174.247 2.151 10 30 AEEERN C#C[C@H](Nc1ccccn1)C(C)C 300885787 345009325 /nfs/dbraw/zinc/00/93/25/345009325.db2.gz STHFQMVUVNXFSA-JTQLQIEISA-N 0 0 174.247 2.151 10 30 AEEERN Cc1cc(N)c(C#N)c(C)c1Cl 300884183 345009379 /nfs/dbraw/zinc/00/93/79/345009379.db2.gz GOHVZIUPMIKLGF-UHFFFAOYSA-N 0 0 180.638 2.411 10 30 AEEERN C#CCNc1cnc(Cl)cc1C 300891783 345009639 /nfs/dbraw/zinc/00/96/39/345009639.db2.gz BPGRBCKLJBOVPB-UHFFFAOYSA-N 0 0 180.638 2.089 10 30 AEEERN C#C[C@@H](C)Nc1ccc2c(c1)COC2 300894479 345010417 /nfs/dbraw/zinc/01/04/17/345010417.db2.gz HBAUZAVFIYNVIC-SECBINFHSA-N 0 0 187.242 2.150 10 30 AEEERN C#C[C@H](C)Nc1ccc2c(c1)COC2 300894481 345010430 /nfs/dbraw/zinc/01/04/30/345010430.db2.gz HBAUZAVFIYNVIC-VIFPVBQESA-N 0 0 187.242 2.150 10 30 AEEERN CC(C)c1nn(C)cc1N=[N+]=[N-] 300922081 345013651 /nfs/dbraw/zinc/01/36/51/345013651.db2.gz YWZHLADFOHYTJL-UHFFFAOYSA-N 0 0 165.200 2.485 10 30 AEEERN CC(=O)/C(C)=C/c1ncc(Cl)n1C 300939624 345015938 /nfs/dbraw/zinc/01/59/38/345015938.db2.gz DNDSMRIOSKLDFZ-GQCTYLIASA-N 0 0 198.653 2.066 10 30 AEEERN Cc1cccc(N[C@H](C)C#N)c1F 300951494 345017797 /nfs/dbraw/zinc/01/77/97/345017797.db2.gz LUOXENQKQKEPPC-MRVPVSSYSA-N 0 0 178.210 2.458 10 30 AEEERN Cc1cccc(N[C@@H](C)C#N)c1F 300951499 345017895 /nfs/dbraw/zinc/01/78/95/345017895.db2.gz LUOXENQKQKEPPC-QMMMGPOBSA-N 0 0 178.210 2.458 10 30 AEEERN N#Cc1c(N)ccc(F)c1C1CC1 300954085 345018361 /nfs/dbraw/zinc/01/83/61/345018361.db2.gz OPRNMQVMGZGDBU-UHFFFAOYSA-N 0 0 176.194 2.157 10 30 AEEERN N#Cc1c(Cl)cc(F)c(F)c1N 300954308 345018486 /nfs/dbraw/zinc/01/84/86/345018486.db2.gz PJYNRLCABYKQDW-UHFFFAOYSA-N 0 0 188.564 2.072 10 30 AEEERN C#CC[C@H](O)[C@@H]1CCCC(F)(F)C1 300965507 345019261 /nfs/dbraw/zinc/01/92/61/345019261.db2.gz WDBVLWRLFDRNMB-BDAKNGLRSA-N 0 0 188.217 2.196 10 30 AEEERN C#CC[C@@H](O)[C@H]1CCCC(F)(F)C1 300965510 345019289 /nfs/dbraw/zinc/01/92/89/345019289.db2.gz WDBVLWRLFDRNMB-DTWKUNHWSA-N 0 0 188.217 2.196 10 30 AEEERN C#CC[C@@H](O)[C@@H]1CCCC(F)(F)C1 300966065 345019300 /nfs/dbraw/zinc/01/93/00/345019300.db2.gz WDBVLWRLFDRNMB-RKDXNWHRSA-N 0 0 188.217 2.196 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCOC[C@H]1C 300965756 345019384 /nfs/dbraw/zinc/01/93/84/345019384.db2.gz GSPGVQMJCRMHLP-ZJUUUORDSA-N 0 0 182.263 2.194 10 30 AEEERN C#CC[C@H](O)[C@H]1CCCC(F)(F)C1 300965513 345019432 /nfs/dbraw/zinc/01/94/32/345019432.db2.gz WDBVLWRLFDRNMB-IUCAKERBSA-N 0 0 188.217 2.196 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCOC[C@@H]1C 300965752 345019444 /nfs/dbraw/zinc/01/94/44/345019444.db2.gz GSPGVQMJCRMHLP-UWVGGRQHSA-N 0 0 182.263 2.194 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCOC[C@H]1C 300965750 345019485 /nfs/dbraw/zinc/01/94/85/345019485.db2.gz GSPGVQMJCRMHLP-NXEZZACHSA-N 0 0 182.263 2.194 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCOC[C@@H]1C 300965754 345019499 /nfs/dbraw/zinc/01/94/99/345019499.db2.gz GSPGVQMJCRMHLP-VHSXEESVSA-N 0 0 182.263 2.194 10 30 AEEERN [N-]=[N+]=Nc1cncc(F)c1 300974619 345020097 /nfs/dbraw/zinc/02/00/97/345020097.db2.gz QIFMULOIIGQNAU-UHFFFAOYSA-N 0 0 138.105 2.163 10 30 AEEERN C#C[C@H](Nc1cccc(F)n1)C(C)C 300973261 345020288 /nfs/dbraw/zinc/02/02/88/345020288.db2.gz SKHDMDSIIKAFHH-VIFPVBQESA-N 0 0 192.237 2.290 10 30 AEEERN C#C[C@@H](Nc1cccc(F)n1)C(C)C 300973259 345020386 /nfs/dbraw/zinc/02/03/86/345020386.db2.gz SKHDMDSIIKAFHH-SECBINFHSA-N 0 0 192.237 2.290 10 30 AEEERN Cc1cccc(NCC#N)c1F 300978125 345020669 /nfs/dbraw/zinc/02/06/69/345020669.db2.gz RHZPCOXAYBWUMI-UHFFFAOYSA-N 0 0 164.183 2.070 10 30 AEEERN Cc1cccc(NC(=O)CS)c1F 300990824 345022644 /nfs/dbraw/zinc/02/26/44/345022644.db2.gz VBOBPIWIYOFJPJ-UHFFFAOYSA-N 0 0 199.250 2.002 10 30 AEEERN Cc1cccc(NCCC#N)c1F 300997768 345023640 /nfs/dbraw/zinc/02/36/40/345023640.db2.gz WVELYNAPJMYGJO-UHFFFAOYSA-N 0 0 178.210 2.460 10 30 AEEERN Cc1nsc2ncnc(N=[N+]=[N-])c12 301010562 345025097 /nfs/dbraw/zinc/02/50/97/345025097.db2.gz YSZGAEGIBUDBBK-UHFFFAOYSA-N 0 0 192.207 2.337 10 30 AEEERN C#C[C@H](Nc1ncccc1F)C(C)C 301011074 345025748 /nfs/dbraw/zinc/02/57/48/345025748.db2.gz YTULBZMXHARFNG-JTQLQIEISA-N 0 0 192.237 2.290 10 30 AEEERN CC(C)C[C@@H](C)Cn1ccnc1C#N 301012655 345025831 /nfs/dbraw/zinc/02/58/31/345025831.db2.gz ZBTJDHMXWXGSOH-SNVBAGLBSA-N 0 0 191.278 2.437 10 30 AEEERN CC(C)C[C@H](C)Cn1ccnc1C#N 301012654 345025995 /nfs/dbraw/zinc/02/59/95/345025995.db2.gz ZBTJDHMXWXGSOH-JTQLQIEISA-N 0 0 191.278 2.437 10 30 AEEERN C#C[C@@H](Nc1ncccc1F)C(C)C 301011075 345026048 /nfs/dbraw/zinc/02/60/48/345026048.db2.gz YTULBZMXHARFNG-SNVBAGLBSA-N 0 0 192.237 2.290 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CCC(F)(F)C1 301038796 345031538 /nfs/dbraw/zinc/03/15/38/345031538.db2.gz YHGVPCTYCNIOTL-RNFRBKRXSA-N 0 0 187.189 2.151 10 30 AEEERN C[C@@H](C#N)C(=O)[C@@H]1CCC(F)(F)C1 301038795 345031669 /nfs/dbraw/zinc/03/16/69/345031669.db2.gz YHGVPCTYCNIOTL-NKWVEPMBSA-N 0 0 187.189 2.151 10 30 AEEERN C[C@H](C#N)C(=O)[C@H]1CCC(F)(F)C1 301038797 345031686 /nfs/dbraw/zinc/03/16/86/345031686.db2.gz YHGVPCTYCNIOTL-RQJHMYQMSA-N 0 0 187.189 2.151 10 30 AEEERN C[C@@H](C#N)C(=O)[C@H]1CCC(F)(F)C1 301038794 345031868 /nfs/dbraw/zinc/03/18/68/345031868.db2.gz YHGVPCTYCNIOTL-BQBZGAKWSA-N 0 0 187.189 2.151 10 30 AEEERN COC(C)(C)c1csc(N)c1C#N 301041447 345032152 /nfs/dbraw/zinc/03/21/52/345032152.db2.gz ZKGRJHGVIAXYJK-UHFFFAOYSA-N 0 0 196.275 2.083 10 30 AEEERN C[C@@H]1CC[C@@H](OC[C@H]2CO2)C[C@H]1C 301045494 345033292 /nfs/dbraw/zinc/03/32/92/345033292.db2.gz NPRHKOXHAKIGOY-DBIOUOCHSA-N 0 0 184.279 2.227 10 30 AEEERN C[C@H]1C[C@H](OC[C@H]2CO2)CC[C@H]1C 301045496 345033592 /nfs/dbraw/zinc/03/35/92/345033592.db2.gz NPRHKOXHAKIGOY-YTWAJWBKSA-N 0 0 184.279 2.227 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CCC1(C)C 306148011 345036162 /nfs/dbraw/zinc/03/61/62/345036162.db2.gz AMTGFKFRIHMPFZ-IUCAKERBSA-N 0 0 166.268 2.067 10 30 AEEERN CCC(C#N)(CC)N1CC(C)(C)C1 306148048 345036184 /nfs/dbraw/zinc/03/61/84/345036184.db2.gz AZMJWELKTMJEKV-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CCC1(C)C 306148009 345036219 /nfs/dbraw/zinc/03/62/19/345036219.db2.gz AMTGFKFRIHMPFZ-DTWKUNHWSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)N[C@H]1CCC1(C)C 306148007 345036264 /nfs/dbraw/zinc/03/62/64/345036264.db2.gz AMTGFKFRIHMPFZ-BDAKNGLRSA-N 0 0 166.268 2.067 10 30 AEEERN N#CC1(C[C@H]2CCCCO2)CC1 306148057 345036364 /nfs/dbraw/zinc/03/63/64/345036364.db2.gz BADGTKIYJKQVIS-SECBINFHSA-N 0 0 165.236 2.249 10 30 AEEERN N#CC1(C[C@@H]2CCCCO2)CC1 306148059 345036396 /nfs/dbraw/zinc/03/63/96/345036396.db2.gz BADGTKIYJKQVIS-VIFPVBQESA-N 0 0 165.236 2.249 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CCC1(C)C 306148013 345036424 /nfs/dbraw/zinc/03/64/24/345036424.db2.gz AMTGFKFRIHMPFZ-RKDXNWHRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](CC#N)N1CC(C)(C)C1(C)C 306149173 345037783 /nfs/dbraw/zinc/03/77/83/345037783.db2.gz DLJYXTGXBCJHKN-VIFPVBQESA-N 0 0 180.295 2.409 10 30 AEEERN C[C@H](CC#N)N1CC(C)(C)C1(C)C 306149165 345037799 /nfs/dbraw/zinc/03/77/99/345037799.db2.gz DLJYXTGXBCJHKN-SECBINFHSA-N 0 0 180.295 2.409 10 30 AEEERN CO/N=C/c1cc2ccccc2[nH]1 306149046 345037946 /nfs/dbraw/zinc/03/79/46/345037946.db2.gz DICAEXLQZBEBLC-YRNVUSSQSA-N 0 0 174.203 2.148 10 30 AEEERN C[C@@H](C#N)N[C@H]1CC2CCC1CC2 306149249 345038371 /nfs/dbraw/zinc/03/83/71/345038371.db2.gz DCZCHQQSBORRFH-PMUOWJKOSA-N 0 0 178.279 2.067 10 30 AEEERN C[C@H](C#N)N[C@@H]1CC2CCC1CC2 306149237 345038478 /nfs/dbraw/zinc/03/84/78/345038478.db2.gz DCZCHQQSBORRFH-AGVGLQIMSA-N 0 0 178.279 2.067 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CC2CCC1CC2 306149243 345038561 /nfs/dbraw/zinc/03/85/61/345038561.db2.gz DCZCHQQSBORRFH-IDWGSYCQSA-N 0 0 178.279 2.067 10 30 AEEERN O=CCCC1(O)CCCCCC1 306150771 345040288 /nfs/dbraw/zinc/04/02/88/345040288.db2.gz FKAJLFYCMFOEFH-UHFFFAOYSA-N 0 0 170.252 2.051 10 30 AEEERN CC[C@@H](C)[C@](C)(C#N)C(C)=O 306152071 345042084 /nfs/dbraw/zinc/04/20/84/345042084.db2.gz BYIYAWGTGAGXAJ-APPZFPTMSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@H](C)[C@@](C)(C#N)C(C)=O 306152073 345042141 /nfs/dbraw/zinc/04/21/41/345042141.db2.gz BYIYAWGTGAGXAJ-IONNQARKSA-N 0 0 153.225 2.151 10 30 AEEERN CC[C@@H](C)[C@@](C)(C#N)C(C)=O 306152074 345042226 /nfs/dbraw/zinc/04/22/26/345042226.db2.gz BYIYAWGTGAGXAJ-VXNVDRBHSA-N 0 0 153.225 2.151 10 30 AEEERN CC(C)OC(=O)C1(C#N)CCCC1 306151896 345042276 /nfs/dbraw/zinc/04/22/76/345042276.db2.gz HTAPGVCEQBMEOF-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@H](C)[C@](C)(C#N)C(C)=O 306152072 345042289 /nfs/dbraw/zinc/04/22/89/345042289.db2.gz BYIYAWGTGAGXAJ-CBAPKCEASA-N 0 0 153.225 2.151 10 30 AEEERN C=C(CC)CNc1ccnc(C)n1 306152261 345042713 /nfs/dbraw/zinc/04/27/13/345042713.db2.gz AFHBFMOXAGZSEJ-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C[C@H]1CC[C@H]1Nc1ccnc(C#N)c1 306152597 345042813 /nfs/dbraw/zinc/04/28/13/345042813.db2.gz AHVDPLWQQLKUHN-GZMMTYOYSA-N 0 0 187.246 2.164 10 30 AEEERN N#CCNCc1ccsc1Cl 306152489 345042852 /nfs/dbraw/zinc/04/28/52/345042852.db2.gz ADOTVKPYLIHVIG-UHFFFAOYSA-N 0 0 186.667 2.015 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1ccnc(C#N)c1 306152602 345042892 /nfs/dbraw/zinc/04/28/92/345042892.db2.gz AHVDPLWQQLKUHN-KWQFWETISA-N 0 0 187.246 2.164 10 30 AEEERN CC(C)C1CCC([C@H](N)C#N)CC1 306153073 345043819 /nfs/dbraw/zinc/04/38/19/345043819.db2.gz HKSSOHNXZORKBR-VQXHTEKXSA-N 0 0 180.295 2.300 10 30 AEEERN C[C@H](C#N)N1CCC(C2CC2)CC1 306153789 345043976 /nfs/dbraw/zinc/04/39/76/345043976.db2.gz BALVSPDEHWCBPI-SECBINFHSA-N 0 0 178.279 2.020 10 30 AEEERN O=C[C@@H]1CCC[C@H](c2ccco2)O1 306154260 345044821 /nfs/dbraw/zinc/04/48/21/345044821.db2.gz KAVLWGWFMCTEFD-WCBMZHEXSA-N 0 0 180.203 2.089 10 30 AEEERN O=C[C@H]1CCC[C@@H](c2ccco2)O1 306154259 345044826 /nfs/dbraw/zinc/04/48/26/345044826.db2.gz KAVLWGWFMCTEFD-SCZZXKLOSA-N 0 0 180.203 2.089 10 30 AEEERN O=C[C@H]1CCC[C@H](c2ccco2)O1 306154258 345044887 /nfs/dbraw/zinc/04/48/87/345044887.db2.gz KAVLWGWFMCTEFD-PSASIEDQSA-N 0 0 180.203 2.089 10 30 AEEERN O=C[C@@H]1CCC[C@@H](c2ccco2)O1 306154261 345045014 /nfs/dbraw/zinc/04/50/14/345045014.db2.gz KAVLWGWFMCTEFD-WPRPVWTQSA-N 0 0 180.203 2.089 10 30 AEEERN CN(CC#N)CC1(C)CCCCC1 306154451 345045341 /nfs/dbraw/zinc/04/53/41/345045341.db2.gz BGEOSXWITZDOIG-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN O=CC[C@H](O)c1ccsc1Cl 306155658 345046328 /nfs/dbraw/zinc/04/63/28/345046328.db2.gz AXWFECDIVMHTFD-LURJTMIESA-N 0 0 190.651 2.024 10 30 AEEERN CCCN(C)c1ccc(C#N)c(C)n1 306155621 345046395 /nfs/dbraw/zinc/04/63/95/345046395.db2.gz ASEFHWYDTVYXOV-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN O=CC[C@@H](O)c1ccsc1Cl 306155660 345046559 /nfs/dbraw/zinc/04/65/59/345046559.db2.gz AXWFECDIVMHTFD-ZCFIWIBFSA-N 0 0 190.651 2.024 10 30 AEEERN Cc1ccc([C@H]2CC[C@@](C)(C=O)O2)o1 306155814 345046905 /nfs/dbraw/zinc/04/69/05/345046905.db2.gz CDOMLZYGZBLNGK-MNOVXSKESA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccc([C@@H]2CC[C@@](C)(C=O)O2)o1 306155815 345046983 /nfs/dbraw/zinc/04/69/83/345046983.db2.gz CDOMLZYGZBLNGK-QWRGUYRKSA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccc([C@@H]2CC[C@](C)(C=O)O2)o1 306155817 345047048 /nfs/dbraw/zinc/04/70/48/345047048.db2.gz CDOMLZYGZBLNGK-WDEREUQCSA-N 0 0 194.230 2.397 10 30 AEEERN C#CC(=O)Oc1ccc(F)cc1Cl 306158213 345048322 /nfs/dbraw/zinc/04/83/22/345048322.db2.gz DRZWQUFBGQIXRN-UHFFFAOYSA-N 0 0 198.580 2.018 10 30 AEEERN CC(C)[C@](C)(O)CC1(C#N)CCC1 306159129 345049515 /nfs/dbraw/zinc/04/95/15/345049515.db2.gz LCFOKEPHUSWVQT-SNVBAGLBSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)[C@@](C)(O)CC1(C#N)CCC1 306159117 345049519 /nfs/dbraw/zinc/04/95/19/345049519.db2.gz LCFOKEPHUSWVQT-JTQLQIEISA-N 0 0 181.279 2.477 10 30 AEEERN C=C[C@@H](C)Sc1ncc(C)cn1 306160251 345050408 /nfs/dbraw/zinc/05/04/08/345050408.db2.gz LZIVOARPRSDOPG-MRVPVSSYSA-N 0 0 180.276 2.452 10 30 AEEERN C=C[C@H](C)Sc1ncc(C)cn1 306160255 345050508 /nfs/dbraw/zinc/05/05/08/345050508.db2.gz LZIVOARPRSDOPG-QMMMGPOBSA-N 0 0 180.276 2.452 10 30 AEEERN C=C(CC)CNc1ncc(C)cn1 306160289 345050761 /nfs/dbraw/zinc/05/07/61/345050761.db2.gz FSQAFBSMMPVQBZ-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C[C@@H](C#N)Nc1cccc(CC#N)c1 306160399 345050957 /nfs/dbraw/zinc/05/09/57/345050957.db2.gz FVWAKHQTLKUFPQ-VIFPVBQESA-N 0 0 185.230 2.077 10 30 AEEERN C[C@H](C#N)Nc1cccc(CC#N)c1 306160394 345051184 /nfs/dbraw/zinc/05/11/84/345051184.db2.gz FVWAKHQTLKUFPQ-SECBINFHSA-N 0 0 185.230 2.077 10 30 AEEERN Cc1ccoc1[C@H]1CC[C@](C)(C=O)O1 306160891 345051649 /nfs/dbraw/zinc/05/16/49/345051649.db2.gz FOZRRZHERGAWLB-MWLCHTKSSA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccoc1[C@H]1CC[C@@](C)(C=O)O1 306160889 345051682 /nfs/dbraw/zinc/05/16/82/345051682.db2.gz FOZRRZHERGAWLB-KOLCDFICSA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccoc1[C@@H]1CC[C@](C)(C=O)O1 306160887 345051805 /nfs/dbraw/zinc/05/18/05/345051805.db2.gz FOZRRZHERGAWLB-GXSJLCMTSA-N 0 0 194.230 2.397 10 30 AEEERN COc1cc(CS)cc([N+](=O)[O-])c1 306160734 345051833 /nfs/dbraw/zinc/05/18/33/345051833.db2.gz QSWHFCACNFKGDX-UHFFFAOYSA-N 0 0 199.231 2.033 10 30 AEEERN Cc1ccoc1[C@@H]1CC[C@@](C)(C=O)O1 306160893 345052035 /nfs/dbraw/zinc/05/20/35/345052035.db2.gz FOZRRZHERGAWLB-ONGXEEELSA-N 0 0 194.230 2.397 10 30 AEEERN CCC[C@@H](C)[C@@]1(C#N)CCCCN1 306162094 345052936 /nfs/dbraw/zinc/05/29/36/345052936.db2.gz RUIPRVFPVPRMNF-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CCC[C@H](C)[C@]1(C#N)CCCCN1 306162101 345052938 /nfs/dbraw/zinc/05/29/38/345052938.db2.gz RUIPRVFPVPRMNF-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN N#Cc1ccc(Cl)cc1N1CCC1 306162053 345053024 /nfs/dbraw/zinc/05/30/24/345053024.db2.gz QOBVFLYYTMUKPC-UHFFFAOYSA-N 0 0 192.649 2.422 10 30 AEEERN CCC[C@H](C)[C@@]1(C#N)CCCCN1 306162098 345053126 /nfs/dbraw/zinc/05/31/26/345053126.db2.gz RUIPRVFPVPRMNF-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CCC[C@@H](C)[C@]1(C#N)CCCCN1 306162090 345053174 /nfs/dbraw/zinc/05/31/74/345053174.db2.gz RUIPRVFPVPRMNF-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN N#CC1([C@H]2CCCCC[C@H]2O)CC1 306162480 345053701 /nfs/dbraw/zinc/05/37/01/345053701.db2.gz OBOLHVIQVGERIT-VHSXEESVSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1([C@@H]2CCCCC[C@H]2O)CC1 306162476 345053737 /nfs/dbraw/zinc/05/37/37/345053737.db2.gz OBOLHVIQVGERIT-NXEZZACHSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1([C@H]2CCCCC[C@@H]2O)CC1 306162478 345053952 /nfs/dbraw/zinc/05/39/52/345053952.db2.gz OBOLHVIQVGERIT-UWVGGRQHSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H](C#N)NC(=O)C(C)(C)C(C)(C)C 306162721 345054116 /nfs/dbraw/zinc/05/41/16/345054116.db2.gz WRMULGPGYSYGKT-MRVPVSSYSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@@H](C#N)NC(=O)C(C)(C)C(C)(C)C 306162722 345054522 /nfs/dbraw/zinc/05/45/22/345054522.db2.gz WRMULGPGYSYGKT-QMMMGPOBSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)(C#N)N1CCC2(CC1)CC2 306164388 345055713 /nfs/dbraw/zinc/05/57/13/345055713.db2.gz SRNVTBZKCCYVBJ-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN C=C(CC)CNc1ccc(N)nc1 306165792 345057370 /nfs/dbraw/zinc/05/73/70/345057370.db2.gz IKVACOKNQNDGGB-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN [NH3+][C@@H](C#Cc1ccccc1)C1CCC1 306168594 345059680 /nfs/dbraw/zinc/05/96/80/345059680.db2.gz JVMXHQTZFKGVLB-ZDUSSCGKSA-N 0 0 185.270 2.166 10 30 AEEERN [NH3+][C@H](C#Cc1ccccc1)C1CCC1 306168585 345060017 /nfs/dbraw/zinc/06/00/17/345060017.db2.gz JVMXHQTZFKGVLB-CYBMUJFWSA-N 0 0 185.270 2.166 10 30 AEEERN C[C@H]1C[C@H](C)CC(O)(CCC=O)C1 306169645 345060785 /nfs/dbraw/zinc/06/07/85/345060785.db2.gz RECFQYCIHJUEEE-UWVGGRQHSA-N 0 0 184.279 2.153 10 30 AEEERN COC[C@@]1(C#N)CCC[C@@H](C)C1 306169830 345060826 /nfs/dbraw/zinc/06/08/26/345060826.db2.gz RJEKLNXUKORCFV-ZJUUUORDSA-N 0 0 167.252 2.353 10 30 AEEERN COC[C@]1(C#N)CCC[C@@H](C)C1 306169813 345060898 /nfs/dbraw/zinc/06/08/98/345060898.db2.gz RJEKLNXUKORCFV-NXEZZACHSA-N 0 0 167.252 2.353 10 30 AEEERN C[C@@H]1C[C@@H](C)CC(O)(CCC=O)C1 306169639 345060921 /nfs/dbraw/zinc/06/09/21/345060921.db2.gz RECFQYCIHJUEEE-NXEZZACHSA-N 0 0 184.279 2.153 10 30 AEEERN COC[C@@]1(C#N)CCC[C@H](C)C1 306169819 345061110 /nfs/dbraw/zinc/06/11/10/345061110.db2.gz RJEKLNXUKORCFV-UWVGGRQHSA-N 0 0 167.252 2.353 10 30 AEEERN C[C@H]1C[C@@H](C)C[C@](O)(CCC=O)C1 306169635 345061146 /nfs/dbraw/zinc/06/11/46/345061146.db2.gz RECFQYCIHJUEEE-JGPRNRPPSA-N 0 0 184.279 2.153 10 30 AEEERN COC[C@]1(C#N)CCC[C@H](C)C1 306169824 345061195 /nfs/dbraw/zinc/06/11/95/345061195.db2.gz RJEKLNXUKORCFV-VHSXEESVSA-N 0 0 167.252 2.353 10 30 AEEERN Cc1sccc1[C@H]1CO1 306170551 345062167 /nfs/dbraw/zinc/06/21/67/345062167.db2.gz HEOLUCXKCYVBEA-SSDOTTSWSA-N 0 0 140.207 2.128 10 30 AEEERN Cc1sccc1[C@@H]1CO1 306170552 345062236 /nfs/dbraw/zinc/06/22/36/345062236.db2.gz HEOLUCXKCYVBEA-ZETCQYMHSA-N 0 0 140.207 2.128 10 30 AEEERN N#CCC(O)(C1CCC1)C1CCC1 306174145 345065007 /nfs/dbraw/zinc/06/50/07/345065007.db2.gz UMGYEHROOSOGFU-UHFFFAOYSA-N 0 0 179.263 2.231 10 30 AEEERN C=C(CC)CNc1cnc(C)c(C)n1 306173879 345065132 /nfs/dbraw/zinc/06/51/32/345065132.db2.gz LRCPHCKAFCUDKD-UHFFFAOYSA-N 0 0 191.278 2.472 10 30 AEEERN CC(F)(F)[C@H](O)C#Cc1ccccc1 306174954 345065294 /nfs/dbraw/zinc/06/52/94/345065294.db2.gz MMKHODLJGFXLNP-SNVBAGLBSA-N 0 0 196.196 2.054 10 30 AEEERN C#CC(=O)C(C(C)C)C(C)C 306174987 345065325 /nfs/dbraw/zinc/06/53/25/345065325.db2.gz WCHHHKXNISKMOW-UHFFFAOYSA-N 0 0 152.237 2.117 10 30 AEEERN CC(F)(F)[C@@H](O)C#Cc1ccccc1 306174952 345065339 /nfs/dbraw/zinc/06/53/39/345065339.db2.gz MMKHODLJGFXLNP-JTQLQIEISA-N 0 0 196.196 2.054 10 30 AEEERN C#CC(=O)Nc1cc(Cl)ccc1F 306176469 345067169 /nfs/dbraw/zinc/06/71/69/345067169.db2.gz NZYKINOXKHFHPR-UHFFFAOYSA-N 0 0 197.596 2.051 10 30 AEEERN CC[C@]1([C@H]2C[C@@H]2C)CC(=O)C=CO1 306176984 345067552 /nfs/dbraw/zinc/06/75/52/345067552.db2.gz YOFZVYMZJRRBAP-INTQDDNPSA-N 0 0 180.247 2.294 10 30 AEEERN CC[C@]1([C@@H]2C[C@@H]2C)CC(=O)C=CO1 306176985 345067777 /nfs/dbraw/zinc/06/77/77/345067777.db2.gz YOFZVYMZJRRBAP-JMJZKYOTSA-N 0 0 180.247 2.294 10 30 AEEERN CC[C@]1([C@@H]2C[C@H]2C)CC(=O)C=CO1 306176982 345067790 /nfs/dbraw/zinc/06/77/90/345067790.db2.gz YOFZVYMZJRRBAP-FBIMIBRVSA-N 0 0 180.247 2.294 10 30 AEEERN CC[C@]1([C@H]2C[C@H]2C)CC(=O)C=CO1 306176980 345067830 /nfs/dbraw/zinc/06/78/30/345067830.db2.gz YOFZVYMZJRRBAP-DVVUODLYSA-N 0 0 180.247 2.294 10 30 AEEERN CC(C)(C#N)Cc1cnc(Cl)cn1 306179594 345071631 /nfs/dbraw/zinc/07/16/31/345071631.db2.gz HHKHVKNWTAXXMC-UHFFFAOYSA-N 0 0 195.653 2.222 10 30 AEEERN CO/N=C(/C)c1ccc(N)cc1Cl 306185789 345076120 /nfs/dbraw/zinc/07/61/20/345076120.db2.gz NBAQFXAAPOPTKD-SDQBBNPISA-N 0 0 198.653 2.293 10 30 AEEERN N#C[C@]1(CC2CCC2)CCCC1=O 306186780 345077273 /nfs/dbraw/zinc/07/72/73/345077273.db2.gz NKRSUDHLMRDMAH-LLVKDONJSA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@@]1(CC2CCC2)CCCC1=O 306186822 345077323 /nfs/dbraw/zinc/07/73/23/345077323.db2.gz NKRSUDHLMRDMAH-NSHDSACASA-N 0 0 177.247 2.440 10 30 AEEERN CC(C)(C#N)C[C@@H]1CCCCO1 306188066 345078290 /nfs/dbraw/zinc/07/82/90/345078290.db2.gz MVBOVXXNPOAIDI-VIFPVBQESA-N 0 0 167.252 2.495 10 30 AEEERN CC(C)(C#N)C[C@H]1CCCCO1 306188065 345078472 /nfs/dbraw/zinc/07/84/72/345078472.db2.gz MVBOVXXNPOAIDI-SECBINFHSA-N 0 0 167.252 2.495 10 30 AEEERN COc1ccncc1CC(C)(C)C#N 306187929 345078491 /nfs/dbraw/zinc/07/84/91/345078491.db2.gz BJGCOHGHFUZZJE-UHFFFAOYSA-N 0 0 190.246 2.182 10 30 AEEERN CC(C)C[C@@H](C)[C@@]1(C#N)CCCN1 306189352 345079354 /nfs/dbraw/zinc/07/93/54/345079354.db2.gz DHIQDSIBRIOLTA-MNOVXSKESA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)C[C@H](C)[C@@]1(C#N)CCCN1 306189353 345079461 /nfs/dbraw/zinc/07/94/61/345079461.db2.gz DHIQDSIBRIOLTA-QWRGUYRKSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)C[C@@H](C)[C@]1(C#N)CCCN1 306189351 345079524 /nfs/dbraw/zinc/07/95/24/345079524.db2.gz DHIQDSIBRIOLTA-GHMZBOCLSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)C[C@H](C)[C@]1(C#N)CCCN1 306189354 345079544 /nfs/dbraw/zinc/07/95/44/345079544.db2.gz DHIQDSIBRIOLTA-WDEREUQCSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@](Cl)(C#N)C1CCC1 306189572 345079635 /nfs/dbraw/zinc/07/96/35/345079635.db2.gz DHBAIAZVBWKSTI-ZETCQYMHSA-N 0 0 143.617 2.308 10 30 AEEERN C[C@@](Cl)(C#N)C1CCC1 306189571 345079676 /nfs/dbraw/zinc/07/96/76/345079676.db2.gz DHBAIAZVBWKSTI-SSDOTTSWSA-N 0 0 143.617 2.308 10 30 AEEERN C1CCC2(C1)CCC[C@@]21CO1 306190602 345080968 /nfs/dbraw/zinc/08/09/68/345080968.db2.gz XHAFOXZCBSXDJW-SNVBAGLBSA-N 0 0 152.237 2.500 10 30 AEEERN C1CCC2(C1)CCC[C@]21CO1 306190600 345080979 /nfs/dbraw/zinc/08/09/79/345080979.db2.gz XHAFOXZCBSXDJW-JTQLQIEISA-N 0 0 152.237 2.500 10 30 AEEERN CCn1nc(C)c(Cl)c1CS 306193170 345082985 /nfs/dbraw/zinc/08/29/85/345082985.db2.gz SKSKRZKNOUKWNA-UHFFFAOYSA-N 0 0 190.699 2.295 10 30 AEEERN C[C@@]1(C2CCCC2)CC[C@@H](C=O)O1 306194372 345083842 /nfs/dbraw/zinc/08/38/42/345083842.db2.gz FMLAPJCIQZVTLZ-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@]1(C2CCCC2)CC[C@@H](C=O)O1 306194377 345083879 /nfs/dbraw/zinc/08/38/79/345083879.db2.gz FMLAPJCIQZVTLZ-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN Cc1cc(F)c(F)cc1OCC#N 306194685 345083925 /nfs/dbraw/zinc/08/39/25/345083925.db2.gz MYUMDRXAIZIMQP-UHFFFAOYSA-N 0 0 183.157 2.176 10 30 AEEERN C[C@]1(C2CCCC2)CC[C@H](C=O)O1 306194362 345083930 /nfs/dbraw/zinc/08/39/30/345083930.db2.gz FMLAPJCIQZVTLZ-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@]1(C2CCCC2)CC[C@H](C=O)O1 306194367 345084014 /nfs/dbraw/zinc/08/40/14/345084014.db2.gz FMLAPJCIQZVTLZ-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN C=CC(=O)c1ccc(C)c(C)n1 306195680 345085375 /nfs/dbraw/zinc/08/53/75/345085375.db2.gz JAMPWONRZHJKAL-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN Cc1nc(N[C@H]2C[C@H]2C)ccc1C#N 306196442 345085621 /nfs/dbraw/zinc/08/56/21/345085621.db2.gz KHKZCVKAUXOHRH-XCBNKYQSSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1nc(N[C@H]2C[C@@H]2C)ccc1C#N 306196447 345085667 /nfs/dbraw/zinc/08/56/67/345085667.db2.gz KHKZCVKAUXOHRH-XVKPBYJWSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1nc(N[C@@H]2C[C@@H]2C)ccc1C#N 306196441 345085691 /nfs/dbraw/zinc/08/56/91/345085691.db2.gz KHKZCVKAUXOHRH-OIBJUYFYSA-N 0 0 187.246 2.082 10 30 AEEERN CCC(=O)c1cccc(F)c1C#N 306197422 345086340 /nfs/dbraw/zinc/08/63/40/345086340.db2.gz XAOMSPYYOQKRND-UHFFFAOYSA-N 0 0 177.178 2.290 10 30 AEEERN CC1(C)CC[C@@]2(CC[C@H](C=O)O2)C1 306198707 345087325 /nfs/dbraw/zinc/08/73/25/345087325.db2.gz YPZOIEWEKSGSFP-KOLCDFICSA-N 0 0 182.263 2.313 10 30 AEEERN CC#CCC(=O)C(C)(C)SC 306198625 345087326 /nfs/dbraw/zinc/08/73/26/345087326.db2.gz XRUIQRLAONNIOF-UHFFFAOYSA-N 0 0 170.277 2.111 10 30 AEEERN CC1(C)CC[C@]2(CC[C@@H](C=O)O2)C1 306198706 345087479 /nfs/dbraw/zinc/08/74/79/345087479.db2.gz YPZOIEWEKSGSFP-GXSJLCMTSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@@]2(CC[C@@H](C=O)O2)C1 306198712 345087493 /nfs/dbraw/zinc/08/74/93/345087493.db2.gz YPZOIEWEKSGSFP-ONGXEEELSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@]2(CC[C@H](C=O)O2)C1 306198710 345087536 /nfs/dbraw/zinc/08/75/36/345087536.db2.gz YPZOIEWEKSGSFP-MWLCHTKSSA-N 0 0 182.263 2.313 10 30 AEEERN C=CC[C@@]1(C#N)CCC(C)(C)C1=O 306199377 345087924 /nfs/dbraw/zinc/08/79/24/345087924.db2.gz ZWIRAEXTDBPEIO-NSHDSACASA-N 0 0 177.247 2.462 10 30 AEEERN C=CC[C@]1(C#N)CCC(C)(C)C1=O 306199375 345087988 /nfs/dbraw/zinc/08/79/88/345087988.db2.gz ZWIRAEXTDBPEIO-LLVKDONJSA-N 0 0 177.247 2.462 10 30 AEEERN Cc1ccc(C#N)c(NCCF)c1 306199481 345088431 /nfs/dbraw/zinc/08/84/31/345088431.db2.gz MZZQUQVHPBCYIW-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN N#C[C@]1(C/C=C/Cl)CCCCN1 306201787 345090355 /nfs/dbraw/zinc/09/03/55/345090355.db2.gz OVQJSPVRZIVVDT-BSPAPZMXSA-N 0 0 184.670 2.165 10 30 AEEERN O=C1C=C(c2ccsn2)CCC1 306201484 345090459 /nfs/dbraw/zinc/09/04/59/345090459.db2.gz KTWNKKWLVXLACP-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN N#C[C@@]1(Cl)COc2ccccc2C1 306202733 345091872 /nfs/dbraw/zinc/09/18/72/345091872.db2.gz LPDUYPNMKFEZGC-SNVBAGLBSA-N 0 0 193.633 2.123 10 30 AEEERN CC[C@@](C)(C=O)C1CCOCC1 306240916 345133826 /nfs/dbraw/zinc/13/38/26/345133826.db2.gz LVEUCIOBMNIKOD-JTQLQIEISA-N 0 0 170.252 2.028 10 30 AEEERN N#C[C@]1(Cl)COc2ccccc2C1 306202732 345091989 /nfs/dbraw/zinc/09/19/89/345091989.db2.gz LPDUYPNMKFEZGC-JTQLQIEISA-N 0 0 193.633 2.123 10 30 AEEERN C=C=CC(=O)c1cc(C)cs1 306203079 345092248 /nfs/dbraw/zinc/09/22/48/345092248.db2.gz ZQGGPUPZHJTUSF-UHFFFAOYSA-N 0 0 164.229 2.263 10 30 AEEERN CC#C[C@](O)(CC)c1ccccc1F 306204216 345093066 /nfs/dbraw/zinc/09/30/66/345093066.db2.gz ZMYFJPMULSNEJJ-GFCCVEGCSA-N 0 0 192.233 2.447 10 30 AEEERN CC#C[C@@](O)(CC)c1ccccc1F 306204219 345093393 /nfs/dbraw/zinc/09/33/93/345093393.db2.gz ZMYFJPMULSNEJJ-LBPRGKRZSA-N 0 0 192.233 2.447 10 30 AEEERN C=C(C)[C@](C)(O)C1CCC1 306205821 345095028 /nfs/dbraw/zinc/09/50/28/345095028.db2.gz PCGJEIFQZXOAAN-VIFPVBQESA-N 0 0 140.226 2.114 10 30 AEEERN C=C(C)[C@@](C)(O)C1CCC1 306205820 345095341 /nfs/dbraw/zinc/09/53/41/345095341.db2.gz PCGJEIFQZXOAAN-SECBINFHSA-N 0 0 140.226 2.114 10 30 AEEERN Cc1cc(Cl)cc([N+](=O)[O-])c1C#N 306206446 345095768 /nfs/dbraw/zinc/09/57/68/345095768.db2.gz BZSYFBDXEOVMEA-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN O=C(C1=COCC1)c1ccccc1 306206929 345096245 /nfs/dbraw/zinc/09/62/45/345096245.db2.gz XEFVIMDPOIZCHP-UHFFFAOYSA-N 0 0 174.199 2.174 10 30 AEEERN CC(C)C(N)=CC(=O)c1ccccc1 306208626 345098298 /nfs/dbraw/zinc/09/82/98/345098298.db2.gz KTHXMGFUKFJITI-FLIBITNWSA-N 0 0 189.258 2.368 10 30 AEEERN Cc1cc(C(C)(C)C#N)ccn1 306209184 345099046 /nfs/dbraw/zinc/09/90/46/345099046.db2.gz BHGSUXGSTFLNSL-UHFFFAOYSA-N 0 0 160.220 2.191 10 30 AEEERN CC1(C)CCC(C[C@H](O)C=O)CC1 306210281 345099859 /nfs/dbraw/zinc/09/98/59/345099859.db2.gz GNHDXQMIXCXQNE-JTQLQIEISA-N 0 0 184.279 2.153 10 30 AEEERN CC1(C)CCC(C[C@@H](O)C=O)CC1 306210283 345099980 /nfs/dbraw/zinc/09/99/80/345099980.db2.gz GNHDXQMIXCXQNE-SNVBAGLBSA-N 0 0 184.279 2.153 10 30 AEEERN CN(CC#N)[C@@H]1CCCCC1(C)C 306212850 345102450 /nfs/dbraw/zinc/10/24/50/345102450.db2.gz KYXDYZWEFVZYHA-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C=C(C)Cn1ccc(Cl)n1 306212510 345102743 /nfs/dbraw/zinc/10/27/43/345102743.db2.gz WOOFTWHUSGIIJE-UHFFFAOYSA-N 0 0 156.616 2.113 10 30 AEEERN CN(CC#N)[C@H]1CCCCC1(C)C 306212847 345102811 /nfs/dbraw/zinc/10/28/11/345102811.db2.gz KYXDYZWEFVZYHA-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CO/N=C/c1ccc2[nH]ccc2c1 306213053 345103363 /nfs/dbraw/zinc/10/33/63/345103363.db2.gz WHKYIBUOPMKZOT-KPKJPENVSA-N 0 0 174.203 2.148 10 30 AEEERN CC[C@H]1CC[C@H](C)N(CC#N)C1 306213142 345103503 /nfs/dbraw/zinc/10/35/03/345103503.db2.gz LAZRBUAJJACSQN-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H]1CC[C@@H](C)N(CC#N)C1 306213144 345103531 /nfs/dbraw/zinc/10/35/31/345103531.db2.gz LAZRBUAJJACSQN-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN O=C[C@@H]1CC[C@@H](c2cccc(F)c2)O1 306214055 345104405 /nfs/dbraw/zinc/10/44/05/345104405.db2.gz XYVYJQRCUVWTEX-QWRGUYRKSA-N 0 0 194.205 2.245 10 30 AEEERN O=C[C@H]1CC[C@H](c2cccc(F)c2)O1 306214053 345104564 /nfs/dbraw/zinc/10/45/64/345104564.db2.gz XYVYJQRCUVWTEX-GHMZBOCLSA-N 0 0 194.205 2.245 10 30 AEEERN O=C[C@@H]1CC[C@H](c2cccc(F)c2)O1 306214056 345104703 /nfs/dbraw/zinc/10/47/03/345104703.db2.gz XYVYJQRCUVWTEX-WDEREUQCSA-N 0 0 194.205 2.245 10 30 AEEERN O=C[C@H]1CC[C@@H](c2cccc(F)c2)O1 306214054 345104801 /nfs/dbraw/zinc/10/48/01/345104801.db2.gz XYVYJQRCUVWTEX-MNOVXSKESA-N 0 0 194.205 2.245 10 30 AEEERN N#CC1(Cc2cnns2)CCCC1 306214967 345105826 /nfs/dbraw/zinc/10/58/26/345105826.db2.gz HIPYBBSSNMBYCL-UHFFFAOYSA-N 0 0 193.275 2.165 10 30 AEEERN C[C@@H]1CC[C@]2(CC[C@@](C)(C=O)O2)C1 306215664 345106927 /nfs/dbraw/zinc/10/69/27/345106927.db2.gz JDHZLLIXSHNIER-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN CCC1CCC(C#CC(=O)OC)CC1 306215807 345107049 /nfs/dbraw/zinc/10/70/49/345107049.db2.gz BILIMPYKTIAGOV-UHFFFAOYSA-N 0 0 194.274 2.379 10 30 AEEERN C[C@@H]1CC[C@@]2(CC[C@](C)(C=O)O2)C1 306215661 345107269 /nfs/dbraw/zinc/10/72/69/345107269.db2.gz JDHZLLIXSHNIER-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CC[C@]2(CC[C@](C)(C=O)O2)C1 306215662 345107151 /nfs/dbraw/zinc/10/71/51/345107151.db2.gz JDHZLLIXSHNIER-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN COC(C)(C)CC1(C#N)CCOCC1 306215891 345107191 /nfs/dbraw/zinc/10/71/91/345107191.db2.gz IMUHWNKFFBENNW-UHFFFAOYSA-N 0 0 197.278 2.122 10 30 AEEERN C[C@@H]1CC[C@@]2(CC[C@@](C)(C=O)O2)C1 306215663 345107349 /nfs/dbraw/zinc/10/73/49/345107349.db2.gz JDHZLLIXSHNIER-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN CCCCNc1cc(C#N)ncc1C 306216863 345108319 /nfs/dbraw/zinc/10/83/19/345108319.db2.gz CLZVTWTWBRCMBG-UHFFFAOYSA-N 0 0 189.262 2.474 10 30 AEEERN O=C1C=C(CCC2CCOCC2)CC1 306217840 345109455 /nfs/dbraw/zinc/10/94/55/345109455.db2.gz KNAYZHSLNCDRPZ-UHFFFAOYSA-N 0 0 194.274 2.483 10 30 AEEERN C=C(CC)CNc1ncnc(C)c1F 306217790 345109611 /nfs/dbraw/zinc/10/96/11/345109611.db2.gz QXMOUMRGURHBHB-UHFFFAOYSA-N 0 0 195.241 2.302 10 30 AEEERN CC(F)(F)C(=O)C1=CCCC1 306218007 345110040 /nfs/dbraw/zinc/11/00/40/345110040.db2.gz NNGVTWAOUFUKRU-UHFFFAOYSA-N 0 0 160.163 2.321 10 30 AEEERN C[C@H]1CC[C@H]1Nc1cccnc1C#N 306218255 345110121 /nfs/dbraw/zinc/11/01/21/345110121.db2.gz FEWAVJXGRDMEKN-DTWKUNHWSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1cccnc1C#N 306218256 345110219 /nfs/dbraw/zinc/11/02/19/345110219.db2.gz FEWAVJXGRDMEKN-IUCAKERBSA-N 0 0 187.246 2.164 10 30 AEEERN Clc1nccnc1N=NC1CCC1 306218850 345111539 /nfs/dbraw/zinc/11/15/39/345111539.db2.gz SHZZEQSXDSFNRD-UHFFFAOYSA-N 0 0 196.641 2.082 10 30 AEEERN CCc1ccc([N+](=O)[O-])cc1C#N 306219289 345111637 /nfs/dbraw/zinc/11/16/37/345111637.db2.gz SOLTVIAYHGBTBF-UHFFFAOYSA-N 0 0 176.175 2.029 10 30 AEEERN C#CCNc1c(C)cc(C)cc1F 306220177 345112723 /nfs/dbraw/zinc/11/27/23/345112723.db2.gz UGCRCRPYENIXNG-UHFFFAOYSA-N 0 0 177.222 2.488 10 30 AEEERN COc1ccccc1C1=CCCC1=O 306221652 345114291 /nfs/dbraw/zinc/11/42/91/345114291.db2.gz QERVQZSFOVLOCU-UHFFFAOYSA-N 0 0 188.226 2.442 10 30 AEEERN C=C(C)C(=O)c1ccc(C)c(C)n1 306221426 345114306 /nfs/dbraw/zinc/11/43/06/345114306.db2.gz UDNHUDLSIUATRX-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN O=CCc1ccsc1Cl 306221904 345114940 /nfs/dbraw/zinc/11/49/40/345114940.db2.gz JXIUAIQBCWHKDE-UHFFFAOYSA-N 0 0 160.625 2.143 10 30 AEEERN C=C(C)[C@H](O)c1cc(C)cc(N)c1 306223552 345116311 /nfs/dbraw/zinc/11/63/11/345116311.db2.gz ZCFRHOJKCNDXSI-NSHDSACASA-N 0 0 177.247 2.187 10 30 AEEERN C=C(C)[C@@H](O)c1cc(C)cc(N)c1 306223551 345116325 /nfs/dbraw/zinc/11/63/25/345116325.db2.gz ZCFRHOJKCNDXSI-LLVKDONJSA-N 0 0 177.247 2.187 10 30 AEEERN CC(C)(C#N)COC1CCCC1 306223363 345116343 /nfs/dbraw/zinc/11/63/43/345116343.db2.gz YPGRBQWNCWNJHA-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C1CCC2(CC1)CC[C@@H]1O[C@@H]12 306223765 345116470 /nfs/dbraw/zinc/11/64/70/345116470.db2.gz ZUXNPELMMAWUFG-IUCAKERBSA-N 0 0 152.237 2.498 10 30 AEEERN CC#C[C@@H](O)c1cc(C)ccc1F 306224705 345117635 /nfs/dbraw/zinc/11/76/35/345117635.db2.gz DWYWDNFBMRLVOD-LLVKDONJSA-N 0 0 178.206 2.191 10 30 AEEERN CC#C[C@H](O)c1cc(C)ccc1F 306224708 345117704 /nfs/dbraw/zinc/11/77/04/345117704.db2.gz DWYWDNFBMRLVOD-NSHDSACASA-N 0 0 178.206 2.191 10 30 AEEERN N#Cc1cc(Cl)ccc1N1CCC1 306225144 345118327 /nfs/dbraw/zinc/11/83/27/345118327.db2.gz DYUHGFJILOBIPQ-UHFFFAOYSA-N 0 0 192.649 2.422 10 30 AEEERN Cc1c(F)cc(Cl)c(N)c1C#N 306225707 345118882 /nfs/dbraw/zinc/11/88/82/345118882.db2.gz BNRGLYXYXPSMLL-UHFFFAOYSA-N 0 0 184.601 2.241 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc(C#N)c(=S)[nH]1 306228430 345121129 /nfs/dbraw/zinc/12/11/29/345121129.db2.gz FPOLMCFHGQBESC-HTRCEHHLSA-N 0 0 190.271 2.365 10 30 AEEERN C[C@H]1C[C@H]1c1ccc(C#N)c(=S)[nH]1 306228431 345121488 /nfs/dbraw/zinc/12/14/88/345121488.db2.gz FPOLMCFHGQBESC-POYBYMJQSA-N 0 0 190.271 2.365 10 30 AEEERN CCc1ccc([C@@H](O)C2(C#N)CC2)o1 306228546 345121840 /nfs/dbraw/zinc/12/18/40/345121840.db2.gz XGADCHVZSCCHRP-SNVBAGLBSA-N 0 0 191.230 2.179 10 30 AEEERN CCc1ccc([C@H](O)C2(C#N)CC2)o1 306228536 345121859 /nfs/dbraw/zinc/12/18/59/345121859.db2.gz XGADCHVZSCCHRP-JTQLQIEISA-N 0 0 191.230 2.179 10 30 AEEERN C[C@H]1C[C@@H]1c1ccc(C#N)c(=S)[nH]1 306228433 345121976 /nfs/dbraw/zinc/12/19/76/345121976.db2.gz FPOLMCFHGQBESC-XPUUQOCRSA-N 0 0 190.271 2.365 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc(C#N)c(=S)[nH]1 306228432 345121979 /nfs/dbraw/zinc/12/19/79/345121979.db2.gz FPOLMCFHGQBESC-SVRRBLITSA-N 0 0 190.271 2.365 10 30 AEEERN N#CCN1C[C@H]2CCCCCC[C@@H]21 306230258 345123456 /nfs/dbraw/zinc/12/34/56/345123456.db2.gz JJAYDWWLQAEFNM-MNOVXSKESA-N 0 0 178.279 2.165 10 30 AEEERN N#CCN1C[C@@H]2CCCCCC[C@H]21 306230262 345123515 /nfs/dbraw/zinc/12/35/15/345123515.db2.gz JJAYDWWLQAEFNM-WDEREUQCSA-N 0 0 178.279 2.165 10 30 AEEERN N#CCN1C[C@H]2CCCCCC[C@H]21 306230255 345123579 /nfs/dbraw/zinc/12/35/79/345123579.db2.gz JJAYDWWLQAEFNM-GHMZBOCLSA-N 0 0 178.279 2.165 10 30 AEEERN N#CCN1C[C@@H]2CCCCCC[C@@H]21 306230260 345123693 /nfs/dbraw/zinc/12/36/93/345123693.db2.gz JJAYDWWLQAEFNM-QWRGUYRKSA-N 0 0 178.279 2.165 10 30 AEEERN C#Cc1cnc2c(C)cc(Cl)cn12 306230599 345124232 /nfs/dbraw/zinc/12/42/32/345124232.db2.gz ZUHRYBYKVBYNIT-UHFFFAOYSA-N 0 0 190.633 2.277 10 30 AEEERN Cc1cc(C#N)cc(Cl)c1[N+](=O)[O-] 306231256 345124662 /nfs/dbraw/zinc/12/46/62/345124662.db2.gz JVXVYOITXNGQDS-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN CCC[C@]1(C2CCC2)CO1 306231904 345125101 /nfs/dbraw/zinc/12/51/01/345125101.db2.gz IHBOMQCSXHGMMD-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN C[C@H]1CC[C@H]1Nc1ccc(C#N)nc1 306231432 345125342 /nfs/dbraw/zinc/12/53/42/345125342.db2.gz DQVSWTRKQFLABE-GZMMTYOYSA-N 0 0 187.246 2.164 10 30 AEEERN C/C=C/C=C1\CCCC1=O 306231743 345125353 /nfs/dbraw/zinc/12/53/53/345125353.db2.gz BQFDAEJUXFAOTK-YNRRLODASA-N 0 0 136.194 2.242 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1ccc(C#N)nc1 306231450 345125415 /nfs/dbraw/zinc/12/54/15/345125415.db2.gz DQVSWTRKQFLABE-KWQFWETISA-N 0 0 187.246 2.164 10 30 AEEERN CCC[C@@]1(C2CCC2)CO1 306231906 345125417 /nfs/dbraw/zinc/12/54/17/345125417.db2.gz IHBOMQCSXHGMMD-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN CC(C)OCC1(C#N)CCCC1 306234508 345127659 /nfs/dbraw/zinc/12/76/59/345127659.db2.gz FGQNATAEWVNVQW-UHFFFAOYSA-N 0 0 167.252 2.495 10 30 AEEERN C#CC(=O)Nc1cccc(Cl)c1F 306236667 345129592 /nfs/dbraw/zinc/12/95/92/345129592.db2.gz OSQUZURHEPYRNQ-UHFFFAOYSA-N 0 0 197.596 2.051 10 30 AEEERN Cc1cc([C@H](C#N)NC2CC2)cs1 306236871 345129888 /nfs/dbraw/zinc/12/98/88/345129888.db2.gz ONRXPINLNOQXJL-JTQLQIEISA-N 0 0 192.287 2.373 10 30 AEEERN Cc1cc([C@@H](C#N)NC2CC2)cs1 306237281 345129922 /nfs/dbraw/zinc/12/99/22/345129922.db2.gz ONRXPINLNOQXJL-SNVBAGLBSA-N 0 0 192.287 2.373 10 30 AEEERN N#CCC(=O)c1csc(Cl)c1 306236896 345129945 /nfs/dbraw/zinc/12/99/45/345129945.db2.gz NYZUAJZJFVYRPF-UHFFFAOYSA-N 0 0 185.635 2.498 10 30 AEEERN N#CC1(C(O)(C2CC2)C2CC2)CCC1 306238261 345130838 /nfs/dbraw/zinc/13/08/38/345130838.db2.gz REYGCTZNUSCXPU-UHFFFAOYSA-N 0 0 191.274 2.231 10 30 AEEERN CC[C@](C)(C=O)C1CCOCC1 306240917 345133642 /nfs/dbraw/zinc/13/36/42/345133642.db2.gz LVEUCIOBMNIKOD-SNVBAGLBSA-N 0 0 170.252 2.028 10 30 AEEERN CC#CCSC/C=C/C 306241610 345134248 /nfs/dbraw/zinc/13/42/48/345134248.db2.gz IDMXXQDWBCBOBM-HWKANZROSA-N 0 0 140.251 2.319 10 30 AEEERN N#CC1([C@H]2CCCC[C@@H]2O)CCC1 306242277 345134771 /nfs/dbraw/zinc/13/47/71/345134771.db2.gz VXKOWVSQNHBWDN-UWVGGRQHSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1([C@@H]2CCCC[C@@H]2O)CCC1 306242290 345134795 /nfs/dbraw/zinc/13/47/95/345134795.db2.gz VXKOWVSQNHBWDN-ZJUUUORDSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1([C@@H]2CCCC[C@H]2O)CCC1 306242268 345134935 /nfs/dbraw/zinc/13/49/35/345134935.db2.gz VXKOWVSQNHBWDN-NXEZZACHSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1([C@H]2CCCC[C@H]2O)CCC1 306242284 345134987 /nfs/dbraw/zinc/13/49/87/345134987.db2.gz VXKOWVSQNHBWDN-VHSXEESVSA-N 0 0 179.263 2.231 10 30 AEEERN COCSc1ccccc1C#N 306243192 345135339 /nfs/dbraw/zinc/13/53/39/345135339.db2.gz WRCACMJJMFIMJH-UHFFFAOYSA-N 0 0 179.244 2.254 10 30 AEEERN Cc1cc(F)ccc1CN[C@H](C)C#N 306244354 345136106 /nfs/dbraw/zinc/13/61/06/345136106.db2.gz UHGVRIQPQPASJN-SECBINFHSA-N 0 0 192.237 2.136 10 30 AEEERN Cc1cc(F)ccc1CN[C@@H](C)C#N 306244355 345136147 /nfs/dbraw/zinc/13/61/47/345136147.db2.gz UHGVRIQPQPASJN-VIFPVBQESA-N 0 0 192.237 2.136 10 30 AEEERN CO[C@]1(C=O)CCCC12CCCC2 306245427 345136974 /nfs/dbraw/zinc/13/69/74/345136974.db2.gz CCUBRLWVRGWOOB-NSHDSACASA-N 0 0 182.263 2.315 10 30 AEEERN CO[C@@]1(C=O)CCCC12CCCC2 306245426 345137068 /nfs/dbraw/zinc/13/70/68/345137068.db2.gz CCUBRLWVRGWOOB-LLVKDONJSA-N 0 0 182.263 2.315 10 30 AEEERN C=C(c1ccc(O)cn1)C(F)(F)F 306245486 345137491 /nfs/dbraw/zinc/13/74/91/345137491.db2.gz QJZPGXAJYGSZDB-UHFFFAOYSA-N 0 0 189.136 2.363 10 30 AEEERN C#Cc1ccc(Cl)c(C=O)c1 306246691 345138781 /nfs/dbraw/zinc/13/87/81/345138781.db2.gz DVRPRNXHKPYLJS-UHFFFAOYSA-N 0 0 164.591 2.134 10 30 AEEERN Cc1nc2c(N=[N+]=[N-])ncnc2s1 306247212 345138779 /nfs/dbraw/zinc/13/87/79/345138779.db2.gz SFLWIQUXUHROLU-UHFFFAOYSA-N 0 0 192.207 2.337 10 30 AEEERN C=CC[C@H](O)c1cc(C)cc(N)c1 306247826 345139695 /nfs/dbraw/zinc/13/96/95/345139695.db2.gz STOGICDZEJEYDL-NSHDSACASA-N 0 0 177.247 2.187 10 30 AEEERN C=CC[C@@H](O)c1cc(C)cc(N)c1 306247825 345139839 /nfs/dbraw/zinc/13/98/39/345139839.db2.gz STOGICDZEJEYDL-LLVKDONJSA-N 0 0 177.247 2.187 10 30 AEEERN C=CCS[C@H]1CCC(=O)C1 306248495 345140234 /nfs/dbraw/zinc/14/02/34/345140234.db2.gz UWHBVVKAERIMMX-QMMMGPOBSA-N 0 0 156.250 2.027 10 30 AEEERN C[C@H]1C[C@H]1c1ncc(C#N)c(Cl)n1 306248451 345140265 /nfs/dbraw/zinc/14/02/65/345140265.db2.gz UPJYEICSGMEZDI-CAHLUQPWSA-N 0 0 193.637 2.125 10 30 AEEERN C[C@@H]1C[C@@H]1c1ncc(C#N)c(Cl)n1 306248454 345140299 /nfs/dbraw/zinc/14/02/99/345140299.db2.gz UPJYEICSGMEZDI-VDTYLAMSSA-N 0 0 193.637 2.125 10 30 AEEERN C[C@H]1C[C@@H]1c1ncc(C#N)c(Cl)n1 306248452 345140389 /nfs/dbraw/zinc/14/03/89/345140389.db2.gz UPJYEICSGMEZDI-FSPLSTOPSA-N 0 0 193.637 2.125 10 30 AEEERN C=CCS[C@@H]1CCC(=O)C1 306248494 345140502 /nfs/dbraw/zinc/14/05/02/345140502.db2.gz UWHBVVKAERIMMX-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN C[C@@H]1C[C@H]1c1ncc(C#N)c(Cl)n1 306248453 345140532 /nfs/dbraw/zinc/14/05/32/345140532.db2.gz UPJYEICSGMEZDI-IYSWYEEDSA-N 0 0 193.637 2.125 10 30 AEEERN CCOc1cccnc1C1(C#N)CC1 306252335 345144089 /nfs/dbraw/zinc/14/40/89/345144089.db2.gz UYOPNSOZLXDUIT-UHFFFAOYSA-N 0 0 188.230 2.035 10 30 AEEERN Cc1cc(N2CCC2)ccc1C#N 306252492 345144477 /nfs/dbraw/zinc/14/44/77/345144477.db2.gz MLAWKHOYQMVSIA-UHFFFAOYSA-N 0 0 172.231 2.077 10 30 AEEERN CC#C[C@@](C)(O)c1ccccc1F 306253445 345144638 /nfs/dbraw/zinc/14/46/38/345144638.db2.gz LJDMTCQRDCEAEU-LLVKDONJSA-N 0 0 178.206 2.057 10 30 AEEERN CC#C[C@](C)(O)c1ccccc1F 306253447 345144880 /nfs/dbraw/zinc/14/48/80/345144880.db2.gz LJDMTCQRDCEAEU-NSHDSACASA-N 0 0 178.206 2.057 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@]1(C)CCC[C@H](C=O)O1 306253859 345145162 /nfs/dbraw/zinc/14/51/62/345145162.db2.gz NBWXFNDVGYQXCZ-CHWFTXMASA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1[C@]1(C)CCC[C@H](C=O)O1 306253862 345145174 /nfs/dbraw/zinc/14/51/74/345145174.db2.gz NBWXFNDVGYQXCZ-ZNSHCXBVSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1[C@]1(C)CCC[C@@H](C=O)O1 306253860 345145197 /nfs/dbraw/zinc/14/51/97/345145197.db2.gz NBWXFNDVGYQXCZ-RCWTZXSCSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@]1(C)CCC[C@@H](C=O)O1 306253861 345145392 /nfs/dbraw/zinc/14/53/92/345145392.db2.gz NBWXFNDVGYQXCZ-VPOLOUISSA-N 0 0 182.263 2.169 10 30 AEEERN CC(C)C(C#N)(C(C)C)N(C)C 306253957 345145507 /nfs/dbraw/zinc/14/55/07/345145507.db2.gz NQFHFNAAAFOHFA-UHFFFAOYSA-N 0 0 168.284 2.122 10 30 AEEERN C=CCSc1cccc(F)n1 306255530 345147134 /nfs/dbraw/zinc/14/71/34/345147134.db2.gz VBCOMDNCYSWSPK-UHFFFAOYSA-N 0 0 169.224 2.499 10 30 AEEERN N#CC(C1CC1)(C1CC1)N1CCCC1 306257906 345148659 /nfs/dbraw/zinc/14/86/59/345148659.db2.gz ZDPAXQFWTYPENU-UHFFFAOYSA-N 0 0 190.290 2.165 10 30 AEEERN N#CC1(C[C@H]2CCOC2)CCC1 306258964 345149729 /nfs/dbraw/zinc/14/97/29/345149729.db2.gz SPJBRXFVHJTXOO-SECBINFHSA-N 0 0 165.236 2.107 10 30 AEEERN C/C=C/C(=O)c1ccccc1C#N 306259408 345149754 /nfs/dbraw/zinc/14/97/54/345149754.db2.gz STQMIBPCUQGIPO-GORDUTHDSA-N 0 0 171.199 2.317 10 30 AEEERN N#CC(C#N)c1ccc(C(F)F)cn1 306259843 345150402 /nfs/dbraw/zinc/15/04/02/345150402.db2.gz UGCVOEXEKDMRIU-UHFFFAOYSA-N 0 0 193.156 2.150 10 30 AEEERN C[C@H]1CCC[C@@H]1NC(C)(C)C#N 306260300 345150936 /nfs/dbraw/zinc/15/09/36/345150936.db2.gz JZNYPCYRABGTHQ-IUCAKERBSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H]1CCC[C@@H]1NC(C)(C)C#N 306260298 345150954 /nfs/dbraw/zinc/15/09/54/345150954.db2.gz JZNYPCYRABGTHQ-BDAKNGLRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H]1CCC[C@H]1NC(C)(C)C#N 306260301 345151096 /nfs/dbraw/zinc/15/10/96/345151096.db2.gz JZNYPCYRABGTHQ-RKDXNWHRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H]1CCC[C@H]1NC(C)(C)C#N 306260299 345151336 /nfs/dbraw/zinc/15/13/36/345151336.db2.gz JZNYPCYRABGTHQ-DTWKUNHWSA-N 0 0 166.268 2.067 10 30 AEEERN C=CCNc1ccc2c(c1)CCO2 306261296 345151590 /nfs/dbraw/zinc/15/15/90/345151590.db2.gz LDICMGXGZQDPFB-UHFFFAOYSA-N 0 0 175.231 2.219 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1ncccc1C#N 306261129 345151615 /nfs/dbraw/zinc/15/16/15/345151615.db2.gz WGEJFVOWFHTTIR-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@](O)(CC1CCC1)C1(C#N)CC1 306261370 345151683 /nfs/dbraw/zinc/15/16/83/345151683.db2.gz WAGHYDOMYGKEEN-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@](O)(CC1CCC1)C1(C#N)CC1 306261371 345151722 /nfs/dbraw/zinc/15/17/22/345151722.db2.gz WAGHYDOMYGKEEN-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H]1CC[C@H]1Nc1ncccc1C#N 306261128 345151831 /nfs/dbraw/zinc/15/18/31/345151831.db2.gz WGEJFVOWFHTTIR-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN CSC1(/C=C(/C)C(C)=O)CC1 306262706 345153068 /nfs/dbraw/zinc/15/30/68/345153068.db2.gz ZAATYDKPOUWCLB-SREVYHEPSA-N 0 0 170.277 2.417 10 30 AEEERN Cc1sccc1[C@H]1CC[C@@H](C=O)O1 306264261 345154272 /nfs/dbraw/zinc/15/42/72/345154272.db2.gz AAFJTRUEYVJGKW-WCBMZHEXSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1sccc1[C@H]1CC[C@H](C=O)O1 306264237 345154326 /nfs/dbraw/zinc/15/43/26/345154326.db2.gz AAFJTRUEYVJGKW-PSASIEDQSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1sccc1[C@@H]1CC[C@H](C=O)O1 306264250 345154330 /nfs/dbraw/zinc/15/43/30/345154330.db2.gz AAFJTRUEYVJGKW-SCZZXKLOSA-N 0 0 196.271 2.476 10 30 AEEERN O=[N+]([O-])c1cccc(CS)c1F 306266703 345156051 /nfs/dbraw/zinc/15/60/51/345156051.db2.gz PWILGVCPPWLMFV-UHFFFAOYSA-N 0 0 187.195 2.164 10 30 AEEERN C=C[C@H](NN)c1csc(Cl)c1 306272966 345160759 /nfs/dbraw/zinc/16/07/59/345160759.db2.gz YPKBGYBUNBNEQF-LURJTMIESA-N 0 0 188.683 2.092 10 30 AEEERN CO[C@]1(C=O)CCCc2sccc21 306272732 345160771 /nfs/dbraw/zinc/16/07/71/345160771.db2.gz YEZKZVCABOWADX-JTQLQIEISA-N 0 0 196.271 2.125 10 30 AEEERN C=C[C@@H](NN)c1csc(Cl)c1 306272967 345160799 /nfs/dbraw/zinc/16/07/99/345160799.db2.gz YPKBGYBUNBNEQF-ZCFIWIBFSA-N 0 0 188.683 2.092 10 30 AEEERN CNc1c(Cl)cc(F)cc1C#N 306273403 345160910 /nfs/dbraw/zinc/16/09/10/345160910.db2.gz ZLBCGWOABQBHRI-UHFFFAOYSA-N 0 0 184.601 2.392 10 30 AEEERN CO[C@@]1(C=O)CCCc2sccc21 306272733 345161007 /nfs/dbraw/zinc/16/10/07/345161007.db2.gz YEZKZVCABOWADX-SNVBAGLBSA-N 0 0 196.271 2.125 10 30 AEEERN C[C@@](O)(c1ccccc1)C1(C#N)CC1 306273858 345161438 /nfs/dbraw/zinc/16/14/38/345161438.db2.gz ABVGNRQQJQUMGP-LLVKDONJSA-N 0 0 187.242 2.198 10 30 AEEERN C[C@](O)(c1ccccc1)C1(C#N)CC1 306273870 345161477 /nfs/dbraw/zinc/16/14/77/345161477.db2.gz ABVGNRQQJQUMGP-NSHDSACASA-N 0 0 187.242 2.198 10 30 AEEERN CC1(C)CC[C@@](C#N)(C2CC2)C1=O 306274603 345162060 /nfs/dbraw/zinc/16/20/60/345162060.db2.gz QCHZSSNDQPEGKV-LLVKDONJSA-N 0 0 177.247 2.295 10 30 AEEERN CC1(C)CC[C@](C#N)(C2CC2)C1=O 306274604 345162302 /nfs/dbraw/zinc/16/23/02/345162302.db2.gz QCHZSSNDQPEGKV-NSHDSACASA-N 0 0 177.247 2.295 10 30 AEEERN Cc1nc(NCCCF)ccc1C#N 306274069 345162322 /nfs/dbraw/zinc/16/23/22/345162322.db2.gz AKVQIPZHTXFBHR-UHFFFAOYSA-N 0 0 193.225 2.033 10 30 AEEERN C[C@@H](CC#N)N1CCC(F)(F)CC1 306277571 345164716 /nfs/dbraw/zinc/16/47/16/345164716.db2.gz FVTKFONKLYHDMQ-QMMMGPOBSA-N 0 0 188.221 2.020 10 30 AEEERN C[C@H](CC#N)N1CCC(F)(F)CC1 306277566 345164819 /nfs/dbraw/zinc/16/48/19/345164819.db2.gz FVTKFONKLYHDMQ-MRVPVSSYSA-N 0 0 188.221 2.020 10 30 AEEERN C=C(c1cncc(N)c1)C(F)(F)F 306278224 345164994 /nfs/dbraw/zinc/16/49/94/345164994.db2.gz PTMXOAMRULVUBD-UHFFFAOYSA-N 0 0 188.152 2.239 10 30 AEEERN C=C(C)C(=O)c1cc(C)cc(N)c1 306282707 345167573 /nfs/dbraw/zinc/16/75/73/345167573.db2.gz AWYOEHBGUIFGFB-UHFFFAOYSA-N 0 0 175.231 2.336 10 30 AEEERN CCC[C@@]1(C=O)CCCS1 306284926 345168691 /nfs/dbraw/zinc/16/86/91/345168691.db2.gz TVZQFRVGLXVERD-QMMMGPOBSA-N 0 0 158.266 2.251 10 30 AEEERN CO[C@@]1(C=O)CCCCC1(C)C 306284652 345168774 /nfs/dbraw/zinc/16/87/74/345168774.db2.gz DLFYNSHFMZZZDW-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN CO[C@]1(C=O)CCCCC1(C)C 306284650 345168787 /nfs/dbraw/zinc/16/87/87/345168787.db2.gz DLFYNSHFMZZZDW-JTQLQIEISA-N 0 0 170.252 2.171 10 30 AEEERN N#Cc1c(F)cccc1C(=O)C(F)F 306284687 345168801 /nfs/dbraw/zinc/16/88/01/345168801.db2.gz JPAKWYWFCJJDBO-UHFFFAOYSA-N 0 0 199.131 2.145 10 30 AEEERN CCC[C@]1(C=O)CCCS1 306284925 345168819 /nfs/dbraw/zinc/16/88/19/345168819.db2.gz TVZQFRVGLXVERD-MRVPVSSYSA-N 0 0 158.266 2.251 10 30 AEEERN CC[C@]1(C=O)CCC[C@@H]1C 306285910 345169655 /nfs/dbraw/zinc/16/96/55/345169655.db2.gz VTLGIKMSLHHYML-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN CC[C@@]1(C=O)CCC[C@@H]1C 306285911 345169892 /nfs/dbraw/zinc/16/98/92/345169892.db2.gz VTLGIKMSLHHYML-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN CC[C@@]1(C=O)CCC[C@H]1C 306285909 345169894 /nfs/dbraw/zinc/16/98/94/345169894.db2.gz VTLGIKMSLHHYML-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN CC[C@]1(C=O)CCC[C@H]1C 306285912 345169946 /nfs/dbraw/zinc/16/99/46/345169946.db2.gz VTLGIKMSLHHYML-RKDXNWHRSA-N 0 0 140.226 2.402 10 30 AEEERN O=C(C1=COCC1)c1ccoc1Cl 306286513 345170127 /nfs/dbraw/zinc/17/01/27/345170127.db2.gz XRMFVWQIIGTHFH-UHFFFAOYSA-N 0 0 198.605 2.420 10 30 AEEERN C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)C[C@H]2C1 306292438 345174371 /nfs/dbraw/zinc/17/43/71/345174371.db2.gz VJCJFHXSPMGNOA-VLEAKVRGSA-N 0 0 166.264 2.360 10 30 AEEERN CNc1cc(C#N)ccc1SC 306293095 345174750 /nfs/dbraw/zinc/17/47/50/345174750.db2.gz TXPIGMZQCGTHSC-UHFFFAOYSA-N 0 0 178.260 2.322 10 30 AEEERN CC1(c2ncc(C#N)c(Cl)n2)CC1 306293063 345174946 /nfs/dbraw/zinc/17/49/46/345174946.db2.gz WJPQEOUQIKPFKP-UHFFFAOYSA-N 0 0 193.637 2.053 10 30 AEEERN CO/N=C(\C)c1ccc(O)cc1C 306293146 345175095 /nfs/dbraw/zinc/17/50/95/345175095.db2.gz WMNHMKYJDSKVCS-DHZHZOJOSA-N 0 0 179.219 2.071 10 30 AEEERN C[C@@H](C#N)C(=O)NC(C)(C)C(C)(C)C 306298697 345179185 /nfs/dbraw/zinc/17/91/85/345179185.db2.gz PDOBDKKUFUJIAI-QMMMGPOBSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@H](C#N)C(=O)NC(C)(C)C(C)(C)C 306298696 345179257 /nfs/dbraw/zinc/17/92/57/345179257.db2.gz PDOBDKKUFUJIAI-MRVPVSSYSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)CNc1ccc(CC#N)cn1 306299005 345179469 /nfs/dbraw/zinc/17/94/69/345179469.db2.gz DSVFRZZAUAUISE-UHFFFAOYSA-N 0 0 189.262 2.216 10 30 AEEERN C#C[C@H](C)OC(=O)c1csc(C)c1 306299282 345179608 /nfs/dbraw/zinc/17/96/08/345179608.db2.gz DXVICMUPZDKVJM-ZETCQYMHSA-N 0 0 194.255 2.235 10 30 AEEERN CC#C[C@@](C)(O)c1ccccc1C 306303430 345183349 /nfs/dbraw/zinc/18/33/49/345183349.db2.gz FCVTYHQUQBSOES-GFCCVEGCSA-N 0 0 174.243 2.226 10 30 AEEERN CC#C[C@](C)(O)c1ccccc1C 306303432 345183546 /nfs/dbraw/zinc/18/35/46/345183546.db2.gz FCVTYHQUQBSOES-LBPRGKRZSA-N 0 0 174.243 2.226 10 30 AEEERN CON(C)c1cccc(Cl)c1C#N 306304796 345184907 /nfs/dbraw/zinc/18/49/07/345184907.db2.gz CHURESLZWBSIGG-UHFFFAOYSA-N 0 0 196.637 2.209 10 30 AEEERN CC1(C(=O)C#Cc2ccccc2)CC1 306305621 345185529 /nfs/dbraw/zinc/18/55/29/345185529.db2.gz IWOVXFXPWYFDJC-UHFFFAOYSA-N 0 0 184.238 2.407 10 30 AEEERN C#CC(=O)[C@H]1CC[C@H](CC)CC1 306308284 345187789 /nfs/dbraw/zinc/18/77/89/345187789.db2.gz WTQVNXKAEOVRLD-MGCOHNPYSA-N 0 0 164.248 2.405 10 30 AEEERN Cc1cncc(C2=CCCC2=O)c1 306308735 345187952 /nfs/dbraw/zinc/18/79/52/345187952.db2.gz QVNFZXHNEQDJDE-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN Cc1cc(C#N)c(N)c(F)c1Cl 306310173 345189492 /nfs/dbraw/zinc/18/94/92/345189492.db2.gz IOQYJYXXOFCPCP-UHFFFAOYSA-N 0 0 184.601 2.241 10 30 AEEERN Cc1ccc(Cl)c(CC=O)c1 306310247 345189661 /nfs/dbraw/zinc/18/96/61/345189661.db2.gz QCMKHTBTJBOIMY-UHFFFAOYSA-N 0 0 168.623 2.390 10 30 AEEERN CC[C@H](C#N)N1CCC(F)(F)CC1 306312674 345191396 /nfs/dbraw/zinc/19/13/96/345191396.db2.gz LJMUEOVMIMTKSM-MRVPVSSYSA-N 0 0 188.221 2.020 10 30 AEEERN Cc1ccc(NCCF)c(C#N)c1 306312171 345191241 /nfs/dbraw/zinc/19/12/41/345191241.db2.gz VRDJYMLRMGMOSR-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN N#CCNCc1c(F)cccc1Cl 306317279 345195190 /nfs/dbraw/zinc/19/51/90/345195190.db2.gz RVFSXISMNSHPRZ-UHFFFAOYSA-N 0 0 198.628 2.092 10 30 AEEERN C=C(C)C(=O)c1cccc(N)c1F 306317273 345195273 /nfs/dbraw/zinc/19/52/73/345195273.db2.gz RUFDWNFTMAXKGD-UHFFFAOYSA-N 0 0 179.194 2.167 10 30 AEEERN C#Cc1cccc(C(=O)CC)c1 306316971 345195370 /nfs/dbraw/zinc/19/53/70/345195370.db2.gz SDAJJLXTFFYSNU-UHFFFAOYSA-N 0 0 158.200 2.261 10 30 AEEERN C=CC(=O)c1ccc(F)c(C#N)c1 306319856 345197656 /nfs/dbraw/zinc/19/76/56/345197656.db2.gz IQYCAPBKTSICJX-UHFFFAOYSA-N 0 0 175.162 2.066 10 30 AEEERN CO[C@]1(C=O)CC[C@@H](C)C[C@H]1C 306320681 345198639 /nfs/dbraw/zinc/19/86/39/345198639.db2.gz LUAVSYUXWUMSNS-BBBLOLIVSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)CC[C@@H](C)C[C@@H]1C 306320683 345198650 /nfs/dbraw/zinc/19/86/50/345198650.db2.gz LUAVSYUXWUMSNS-UTLUCORTSA-N 0 0 170.252 2.027 10 30 AEEERN CC#C[C@@](O)(CC)c1ccccc1 306321382 345198802 /nfs/dbraw/zinc/19/88/02/345198802.db2.gz IZJRNEQEEFBTJG-LBPRGKRZSA-N 0 0 174.243 2.308 10 30 AEEERN CC#C[C@](O)(CC)c1ccccc1 306321381 345198817 /nfs/dbraw/zinc/19/88/17/345198817.db2.gz IZJRNEQEEFBTJG-GFCCVEGCSA-N 0 0 174.243 2.308 10 30 AEEERN CO[C@]1(C=O)CC[C@H](C)C[C@@H]1C 306320682 345198832 /nfs/dbraw/zinc/19/88/32/345198832.db2.gz LUAVSYUXWUMSNS-GUBZILKMSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)CC[C@H](C)C[C@H]1C 306320680 345198878 /nfs/dbraw/zinc/19/88/78/345198878.db2.gz LUAVSYUXWUMSNS-AEJSXWLSSA-N 0 0 170.252 2.027 10 30 AEEERN CCCC(=O)C=C1CCCCN1 306322182 345200137 /nfs/dbraw/zinc/20/01/37/345200137.db2.gz OJEGKDWNMSXKED-HJWRWDBZSA-N 0 0 167.252 2.013 10 30 AEEERN C#CCC(C)(C)NC(=O)OC(C)(C)C 306323356 345200710 /nfs/dbraw/zinc/20/07/10/345200710.db2.gz ZVOUGGBSJKMVLR-UHFFFAOYSA-N 0 0 197.278 2.313 10 30 AEEERN C=C(C(F)(F)F)C1(O)CC(C)C1 306323140 345200767 /nfs/dbraw/zinc/20/07/67/345200767.db2.gz ZBRMOYJTOGKOIJ-UHFFFAOYSA-N 0 0 180.169 2.266 10 30 AEEERN N#CC[C@@H]1CCC[C@@H](C2CC2)O1 306323197 345200805 /nfs/dbraw/zinc/20/08/05/345200805.db2.gz ZLDMRSPNAFISKF-UWVGGRQHSA-N 0 0 165.236 2.248 10 30 AEEERN N#CC[C@H]1CCC[C@@H](C2CC2)O1 306323201 345200918 /nfs/dbraw/zinc/20/09/18/345200918.db2.gz ZLDMRSPNAFISKF-ZJUUUORDSA-N 0 0 165.236 2.248 10 30 AEEERN N#CC[C@@H]1CCC[C@H](C2CC2)O1 306323199 345200954 /nfs/dbraw/zinc/20/09/54/345200954.db2.gz ZLDMRSPNAFISKF-VHSXEESVSA-N 0 0 165.236 2.248 10 30 AEEERN N#CC[C@H]1CCC[C@H](C2CC2)O1 306323195 345201079 /nfs/dbraw/zinc/20/10/79/345201079.db2.gz ZLDMRSPNAFISKF-NXEZZACHSA-N 0 0 165.236 2.248 10 30 AEEERN C/C=C/C(=O)c1cccc(C#N)c1 306323866 345201423 /nfs/dbraw/zinc/20/14/23/345201423.db2.gz KNCNBMZONWNLDI-DUXPYHPUSA-N 0 0 171.199 2.317 10 30 AEEERN C=C[C@H]1CC[C@H](C(=O)OC)CC1 306326713 345204282 /nfs/dbraw/zinc/20/42/82/345204282.db2.gz SJYTWNKXWHNQKI-KYZUINATSA-N 0 0 168.236 2.152 10 30 AEEERN C1CC(C2(C3CCC3)CO2)C1 306329022 345206875 /nfs/dbraw/zinc/20/68/75/345206875.db2.gz ZPRNDQLJEWUNQW-UHFFFAOYSA-N 0 0 152.237 2.356 10 30 AEEERN O=C1C=CO[C@H]([C@H]2CCCSC2)C1 306331057 345207942 /nfs/dbraw/zinc/20/79/42/345207942.db2.gz BWKCKACPNHPOPV-WPRPVWTQSA-N 0 0 198.287 2.001 10 30 AEEERN O=C1C=CO[C@H]([C@@H]2CCCSC2)C1 306331054 345208075 /nfs/dbraw/zinc/20/80/75/345208075.db2.gz BWKCKACPNHPOPV-SCZZXKLOSA-N 0 0 198.287 2.001 10 30 AEEERN O=C1C=CO[C@@H]([C@H]2CCCSC2)C1 306331056 345208199 /nfs/dbraw/zinc/20/81/99/345208199.db2.gz BWKCKACPNHPOPV-WCBMZHEXSA-N 0 0 198.287 2.001 10 30 AEEERN O=C1C=CO[C@@H]([C@@H]2CCCSC2)C1 306331053 345208266 /nfs/dbraw/zinc/20/82/66/345208266.db2.gz BWKCKACPNHPOPV-PSASIEDQSA-N 0 0 198.287 2.001 10 30 AEEERN C=C(C)C(=O)c1ccc(C#N)c(F)c1 306331846 345208521 /nfs/dbraw/zinc/20/85/21/345208521.db2.gz PZXNNUUPINLYFG-UHFFFAOYSA-N 0 0 189.189 2.456 10 30 AEEERN Cc1cc(N[C@H]2C[C@@H]2C)cc(C#N)n1 306331911 345208732 /nfs/dbraw/zinc/20/87/32/345208732.db2.gz QEDDFCWTYUKRJH-CPCISQLKSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(N[C@@H]2C[C@@H]2C)cc(C#N)n1 306331916 345208763 /nfs/dbraw/zinc/20/87/63/345208763.db2.gz QEDDFCWTYUKRJH-WRWORJQWSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(N[C@@H]2C[C@H]2C)cc(C#N)n1 306331914 345208781 /nfs/dbraw/zinc/20/87/81/345208781.db2.gz QEDDFCWTYUKRJH-RDDDGLTNSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cscc1N[C@@H](C)C#N 306332321 345209324 /nfs/dbraw/zinc/20/93/24/345209324.db2.gz CYWZMXUKCIGNOR-ZETCQYMHSA-N 0 0 166.249 2.381 10 30 AEEERN O=C[C@H]1CCC[C@H](c2ccoc2)O1 306334168 345210440 /nfs/dbraw/zinc/21/04/40/345210440.db2.gz FRMPKUSUOKPSTQ-NXEZZACHSA-N 0 0 180.203 2.089 10 30 AEEERN O=C[C@@H]1CCC[C@@H](c2ccoc2)O1 306334170 345210513 /nfs/dbraw/zinc/21/05/13/345210513.db2.gz FRMPKUSUOKPSTQ-UWVGGRQHSA-N 0 0 180.203 2.089 10 30 AEEERN O=C[C@H]1CCC[C@@H](c2ccoc2)O1 306334173 345210527 /nfs/dbraw/zinc/21/05/27/345210527.db2.gz FRMPKUSUOKPSTQ-ZJUUUORDSA-N 0 0 180.203 2.089 10 30 AEEERN O=C[C@@H]1CCC[C@H](c2ccoc2)O1 306334171 345210597 /nfs/dbraw/zinc/21/05/97/345210597.db2.gz FRMPKUSUOKPSTQ-VHSXEESVSA-N 0 0 180.203 2.089 10 30 AEEERN C=C(Cl)CNc1cc(C)c(C)nn1 306335819 345211815 /nfs/dbraw/zinc/21/18/15/345211815.db2.gz TUVVETSKTOYIGR-UHFFFAOYSA-N 0 0 197.669 2.258 10 30 AEEERN COc1cc(Cl)c(N)c(C#N)c1C 306337638 345212912 /nfs/dbraw/zinc/21/29/12/345212912.db2.gz VPGCIWBMGQMQSJ-UHFFFAOYSA-N 0 0 196.637 2.111 10 30 AEEERN C#CCn1ccc(-c2cccs2)n1 306337162 345213222 /nfs/dbraw/zinc/21/32/22/345213222.db2.gz HBIJAVQQBSYGIW-UHFFFAOYSA-N 0 0 188.255 2.245 10 30 AEEERN CC(C)CCNc1ccncc1C#N 306338732 345214006 /nfs/dbraw/zinc/21/40/06/345214006.db2.gz JHHPMGAUIVGORV-UHFFFAOYSA-N 0 0 189.262 2.411 10 30 AEEERN C=C(c1ccc(N)cn1)C(F)(F)F 306338615 345214344 /nfs/dbraw/zinc/21/43/44/345214344.db2.gz XZMJDAWHSGMHGV-UHFFFAOYSA-N 0 0 188.152 2.239 10 30 AEEERN C#CCCNc1nccc(C)c1Cl 306340090 345214743 /nfs/dbraw/zinc/21/47/43/345214743.db2.gz WANCQVQFZQDCMJ-UHFFFAOYSA-N 0 0 194.665 2.479 10 30 AEEERN CO[C@@H](C=O)C1(C)CCCCC1 306343490 345217572 /nfs/dbraw/zinc/21/75/72/345217572.db2.gz MISARNKNMWFTOG-VIFPVBQESA-N 0 0 170.252 2.171 10 30 AEEERN CO[C@H](C=O)C1(C)CCCCC1 306343489 345217938 /nfs/dbraw/zinc/21/79/38/345217938.db2.gz MISARNKNMWFTOG-SECBINFHSA-N 0 0 170.252 2.171 10 30 AEEERN C=CC[C@@H](O)C#Cc1ccc(F)cc1 306344173 345218156 /nfs/dbraw/zinc/21/81/56/345218156.db2.gz CFZADOYWLLPWSS-GFCCVEGCSA-N 0 0 190.217 2.114 10 30 AEEERN C=C(c1ncccc1N)C(F)(F)F 306344280 345218206 /nfs/dbraw/zinc/21/82/06/345218206.db2.gz NFCOTLKZJIRPMI-UHFFFAOYSA-N 0 0 188.152 2.239 10 30 AEEERN CC[C@H](C)Nc1ccc(C)c(C#N)n1 306344314 345218281 /nfs/dbraw/zinc/21/82/81/345218281.db2.gz DHTZKPLNCHYFNF-VIFPVBQESA-N 0 0 189.262 2.472 10 30 AEEERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC#N 306344520 345218714 /nfs/dbraw/zinc/21/87/14/345218714.db2.gz DOASCRTVJBHHBC-OUAUKWLOSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC#N 306344521 345218744 /nfs/dbraw/zinc/21/87/44/345218744.db2.gz DOASCRTVJBHHBC-VWYCJHECSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC#N 306344518 345219036 /nfs/dbraw/zinc/21/90/36/345219036.db2.gz DOASCRTVJBHHBC-GMTAPVOTSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC#N 306344519 345219003 /nfs/dbraw/zinc/21/90/03/345219003.db2.gz DOASCRTVJBHHBC-MXWKQRLJSA-N 0 0 178.279 2.163 10 30 AEEERN C=C(c1ccnc(N)c1)C(F)(F)F 306345637 345219673 /nfs/dbraw/zinc/21/96/73/345219673.db2.gz ORKMNTWDMLUAOX-UHFFFAOYSA-N 0 0 188.152 2.239 10 30 AEEERN CC[C@@H](C)C1(C#N)CC1 306347388 345221349 /nfs/dbraw/zinc/22/13/49/345221349.db2.gz CVFQAPSMRCEBTH-SSDOTTSWSA-N 0 0 123.199 2.336 10 30 AEEERN CC[C@H](C)C1(C#N)CC1 306347389 345221458 /nfs/dbraw/zinc/22/14/58/345221458.db2.gz CVFQAPSMRCEBTH-ZETCQYMHSA-N 0 0 123.199 2.336 10 30 AEEERN O=C[C@H]1CCCC2(CCCCC2)O1 306348272 345221969 /nfs/dbraw/zinc/22/19/69/345221969.db2.gz GJVQQBLGAXRMAS-SNVBAGLBSA-N 0 0 182.263 2.457 10 30 AEEERN CN(C)C(C#N)(C1CCC1)C1CCC1 306351267 345224465 /nfs/dbraw/zinc/22/44/65/345224465.db2.gz XDTUAFGTDPNVMT-UHFFFAOYSA-N 0 0 192.306 2.411 10 30 AEEERN CC1([C@]2(C)CC[C@](C)(C=O)O2)CC1 306354644 345226395 /nfs/dbraw/zinc/22/63/95/345226395.db2.gz RDZLRVWIWMFMFO-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN C[C@H]1CC(=O)C=C(c2ccc[nH]2)C1 306354448 345226399 /nfs/dbraw/zinc/22/63/99/345226399.db2.gz HGXNHJPAKKIBFU-MRVPVSSYSA-N 0 0 175.231 2.397 10 30 AEEERN C[C@@H]1CC(=O)C=C(c2ccc[nH]2)C1 306354450 345226446 /nfs/dbraw/zinc/22/64/46/345226446.db2.gz HGXNHJPAKKIBFU-QMMMGPOBSA-N 0 0 175.231 2.397 10 30 AEEERN CC1([C@@]2(C)CC[C@@](C)(C=O)O2)CC1 306354646 345226457 /nfs/dbraw/zinc/22/64/57/345226457.db2.gz RDZLRVWIWMFMFO-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN CC1([C@]2(C)CC[C@@](C)(C=O)O2)CC1 306354645 345226492 /nfs/dbraw/zinc/22/64/92/345226492.db2.gz RDZLRVWIWMFMFO-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN CC1([C@@]2(C)CC[C@](C)(C=O)O2)CC1 306354643 345226496 /nfs/dbraw/zinc/22/64/96/345226496.db2.gz RDZLRVWIWMFMFO-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN CC=C=CC(=O)c1cncc(Cl)c1 306357047 345228096 /nfs/dbraw/zinc/22/80/96/345228096.db2.gz URSLCXMSXZBCHW-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN Cc1cc(OCC#N)c(Cl)cc1N 306357727 345228927 /nfs/dbraw/zinc/22/89/27/345228927.db2.gz WDUNIGQYOQSZQL-UHFFFAOYSA-N 0 0 196.637 2.133 10 30 AEEERN N#Cc1ccccc1N1CCSC1 306358407 345229236 /nfs/dbraw/zinc/22/92/36/345229236.db2.gz YPSBJZZVSAXSDL-UHFFFAOYSA-N 0 0 190.271 2.069 10 30 AEEERN Cc1cc(C2=CCCC2=O)ccn1 306358341 345229456 /nfs/dbraw/zinc/22/94/56/345229456.db2.gz ZVONDVGYCXRYEH-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN CCC(C=O)=C(O)C1CCC1 306359049 345230029 /nfs/dbraw/zinc/23/00/29/345230029.db2.gz BVFNRLWBMGIXTK-VOTSOKGWSA-N 0 0 154.209 2.208 10 30 AEEERN CC[C@@H]1C[C@H]1Nc1ccncc1C#N 306359174 345230109 /nfs/dbraw/zinc/23/01/09/345230109.db2.gz CMWVWICMDBCZSS-LDYMZIIASA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@]1(C(F)(F)F)CCC[C@H](C=O)O1 306360905 345231180 /nfs/dbraw/zinc/23/11/80/345231180.db2.gz NRSQAWNEZIXPMQ-RQJHMYQMSA-N 0 0 196.168 2.075 10 30 AEEERN C[C@]1(C(F)(F)F)CCC[C@H](C=O)O1 306360904 345231186 /nfs/dbraw/zinc/23/11/86/345231186.db2.gz NRSQAWNEZIXPMQ-RNFRBKRXSA-N 0 0 196.168 2.075 10 30 AEEERN C[C@]1(C(F)(F)F)CCC[C@@H](C=O)O1 306360903 345231362 /nfs/dbraw/zinc/23/13/62/345231362.db2.gz NRSQAWNEZIXPMQ-NKWVEPMBSA-N 0 0 196.168 2.075 10 30 AEEERN C#CC(=O)Nc1ccc(F)cc1Cl 306361217 345231495 /nfs/dbraw/zinc/23/14/95/345231495.db2.gz OPSJPDBICBCWIK-UHFFFAOYSA-N 0 0 197.596 2.051 10 30 AEEERN C[C@@]1(C(F)(F)F)CCC[C@@H](C=O)O1 306360902 345231511 /nfs/dbraw/zinc/23/15/11/345231511.db2.gz NRSQAWNEZIXPMQ-BQBZGAKWSA-N 0 0 196.168 2.075 10 30 AEEERN O=C[C@H]1CCC2(CCCCCC2)O1 306362197 345232429 /nfs/dbraw/zinc/23/24/29/345232429.db2.gz RSIJVGICKYAHPY-SNVBAGLBSA-N 0 0 182.263 2.457 10 30 AEEERN O=C[C@@H]1CCC2(CCCCCC2)O1 306362196 345232434 /nfs/dbraw/zinc/23/24/34/345232434.db2.gz RSIJVGICKYAHPY-JTQLQIEISA-N 0 0 182.263 2.457 10 30 AEEERN CC#C[C@H](O)c1c(F)cccc1F 306363324 345232941 /nfs/dbraw/zinc/23/29/41/345232941.db2.gz XNSROTGMZFKPPB-VIFPVBQESA-N 0 0 182.169 2.022 10 30 AEEERN CC#C[C@@H](O)c1c(F)cccc1F 306363323 345233042 /nfs/dbraw/zinc/23/30/42/345233042.db2.gz XNSROTGMZFKPPB-SECBINFHSA-N 0 0 182.169 2.022 10 30 AEEERN O=C1CCCC=C1c1ccco1 306365556 345235063 /nfs/dbraw/zinc/23/50/63/345235063.db2.gz CUHSVHXIWARPMJ-UHFFFAOYSA-N 0 0 162.188 2.416 10 30 AEEERN C=CCSc1nsnc1Cl 306366744 345236040 /nfs/dbraw/zinc/23/60/40/345236040.db2.gz HBRQYBGGKBEZBE-UHFFFAOYSA-N 0 0 192.696 2.470 10 30 AEEERN N#C[C@]1(c2ccccn2)CCCS1 306370387 345239019 /nfs/dbraw/zinc/23/90/19/345239019.db2.gz LZKLMVAQCOKRSZ-JTQLQIEISA-N 0 0 190.271 2.327 10 30 AEEERN N#C[C@@]1(c2ccccn2)CCCS1 306371063 345239624 /nfs/dbraw/zinc/23/96/24/345239624.db2.gz LZKLMVAQCOKRSZ-SNVBAGLBSA-N 0 0 190.271 2.327 10 30 AEEERN C#Cc1cc(O)cc(C(F)(F)F)c1 306370970 345239646 /nfs/dbraw/zinc/23/96/46/345239646.db2.gz GXAYOCCIIPZCHV-UHFFFAOYSA-N 0 0 186.132 2.392 10 30 AEEERN C#Cc1nc(C2CC2)[nH]c(=S)c1C 306371922 345240532 /nfs/dbraw/zinc/24/05/32/345240532.db2.gz PXJATOKEFFPJBF-UHFFFAOYSA-N 0 0 190.271 2.306 10 30 AEEERN CC(=O)/C=C(\C)[C@@H]1C[C@@H]1C 306373675 345241306 /nfs/dbraw/zinc/24/13/06/345241306.db2.gz OECDXEBTPVFFCW-HVJXYACLSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)/C=C(\C)[C@@H]1C[C@H]1C 306373678 345241406 /nfs/dbraw/zinc/24/14/06/345241406.db2.gz OECDXEBTPVFFCW-VZHGHLCVSA-N 0 0 138.210 2.178 10 30 AEEERN [N-]=[N+]=Nc1nccnc1C(F)F 306375641 345242751 /nfs/dbraw/zinc/24/27/51/345242751.db2.gz MEOWCJGADKDVBJ-UHFFFAOYSA-N 0 0 171.110 2.356 10 30 AEEERN C=C(C)CON=C1CCC1 306376165 345243354 /nfs/dbraw/zinc/24/33/54/345243354.db2.gz VFRLAWNEMHESBN-UHFFFAOYSA-N 0 0 139.198 2.119 10 30 AEEERN C#CCC1(C#N)CCCC1 306376558 345243359 /nfs/dbraw/zinc/24/33/59/345243359.db2.gz ZEFLOIQGMCKYDW-UHFFFAOYSA-N 0 0 133.194 2.094 10 30 AEEERN Cc1cc([C@@H]2CC[C@H](C=O)O2)cs1 306377388 345243653 /nfs/dbraw/zinc/24/36/53/345243653.db2.gz LPXIBGNNWQMRTB-ZJUUUORDSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1cc([C@H]2CC[C@@H](C=O)O2)cs1 306377387 345243678 /nfs/dbraw/zinc/24/36/78/345243678.db2.gz LPXIBGNNWQMRTB-VHSXEESVSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1cc([C@H]2CC[C@H](C=O)O2)cs1 306377383 345243801 /nfs/dbraw/zinc/24/38/01/345243801.db2.gz LPXIBGNNWQMRTB-NXEZZACHSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1cc([C@@H]2CC[C@@H](C=O)O2)cs1 306377385 345243912 /nfs/dbraw/zinc/24/39/12/345243912.db2.gz LPXIBGNNWQMRTB-UWVGGRQHSA-N 0 0 196.271 2.476 10 30 AEEERN C[C@H](C#N)N1CCCC12CCCC2 306377596 345244387 /nfs/dbraw/zinc/24/43/87/345244387.db2.gz XINGRJXOBVJGKM-SNVBAGLBSA-N 0 0 178.279 2.307 10 30 AEEERN C=C(c1ccncc1N)C(F)(F)F 306379037 345245326 /nfs/dbraw/zinc/24/53/26/345245326.db2.gz PPJGZYYMNUSMOF-UHFFFAOYSA-N 0 0 188.152 2.239 10 30 AEEERN CC[C@@](C)(C#N)c1ccc(F)cn1 306379056 345245604 /nfs/dbraw/zinc/24/56/04/345245604.db2.gz PIORCEFGXDLROA-JTQLQIEISA-N 0 0 178.210 2.412 10 30 AEEERN CC[C@](C)(C#N)c1ccc(F)cn1 306379057 345245673 /nfs/dbraw/zinc/24/56/73/345245673.db2.gz PIORCEFGXDLROA-SNVBAGLBSA-N 0 0 178.210 2.412 10 30 AEEERN CC(C)=CC[C@]1(C#N)CCCCN1 306379744 345245955 /nfs/dbraw/zinc/24/59/55/345245955.db2.gz NYSZTWUPJCBTDA-NSHDSACASA-N 0 0 178.279 2.379 10 30 AEEERN CC(C)=CC[C@@]1(C#N)CCCCN1 306379743 345246092 /nfs/dbraw/zinc/24/60/92/345246092.db2.gz NYSZTWUPJCBTDA-LLVKDONJSA-N 0 0 178.279 2.379 10 30 AEEERN C/C=C/CNc1cc(C)nc(C#N)c1 306380093 345246176 /nfs/dbraw/zinc/24/61/76/345246176.db2.gz QUPDRYWENPGBMC-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C=CCNc1cc(C)cc(C#N)c1 306380984 345246842 /nfs/dbraw/zinc/24/68/42/345246842.db2.gz RORQCKDXNPLIJZ-UHFFFAOYSA-N 0 0 172.231 2.465 10 30 AEEERN CC(C)(F)C(=O)C1=CCCC1 306380915 345246881 /nfs/dbraw/zinc/24/68/81/345246881.db2.gz VXRQRTPZGRPDMB-UHFFFAOYSA-N 0 0 156.200 2.414 10 30 AEEERN CC#CCOc1ccc(C)nc1Cl 306381888 345247284 /nfs/dbraw/zinc/24/72/84/345247284.db2.gz AMULDMPKGDARMR-UHFFFAOYSA-N 0 0 195.649 2.446 10 30 AEEERN CC1(C[C@]2(C#N)CCCN2)CCC1 306382055 345247989 /nfs/dbraw/zinc/24/79/89/345247989.db2.gz YNKIZPZYIUONEQ-NSHDSACASA-N 0 0 178.279 2.212 10 30 AEEERN Cc1ncccc1CC1(C#N)CC1 306382447 345248022 /nfs/dbraw/zinc/24/80/22/345248022.db2.gz YWUHACNVXAARRX-UHFFFAOYSA-N 0 0 172.231 2.236 10 30 AEEERN CC1(C[C@@]2(C#N)CCCN2)CCC1 306382053 345248046 /nfs/dbraw/zinc/24/80/46/345248046.db2.gz YNKIZPZYIUONEQ-LLVKDONJSA-N 0 0 178.279 2.212 10 30 AEEERN C=CCSc1ncc(N)s1 306383077 345248480 /nfs/dbraw/zinc/24/84/80/345248480.db2.gz YDWCIIAOKYCJRD-UHFFFAOYSA-N 0 0 172.278 2.003 10 30 AEEERN C[C@H]1CC[C@H]1Nc1cnccc1C#N 306383468 345249008 /nfs/dbraw/zinc/24/90/08/345249008.db2.gz YREVAUCIMHZQLO-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1cnccc1C#N 306383469 345249060 /nfs/dbraw/zinc/24/90/60/345249060.db2.gz YREVAUCIMHZQLO-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CC#CCCSCCCF 306384271 345249554 /nfs/dbraw/zinc/24/95/54/345249554.db2.gz CSQUNXIJQQFSNA-UHFFFAOYSA-N 0 0 160.257 2.493 10 30 AEEERN Cc1ccc(C#N)c(N2CCC2)c1 306384658 345249700 /nfs/dbraw/zinc/24/97/00/345249700.db2.gz ZNBGMVIWAKBWFH-UHFFFAOYSA-N 0 0 172.231 2.077 10 30 AEEERN Cc1cc(C#N)ccc1NCCF 306388257 345251810 /nfs/dbraw/zinc/25/18/10/345251810.db2.gz RNCFGZDWTVIXHO-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN CC1(CNc2ccncc2C#N)CC1 306388200 345252108 /nfs/dbraw/zinc/25/21/08/345252108.db2.gz VAZJQSFHWLAUMX-UHFFFAOYSA-N 0 0 187.246 2.165 10 30 AEEERN C=C(c1cccnc1N)C(F)(F)F 306390401 345253706 /nfs/dbraw/zinc/25/37/06/345253706.db2.gz VIPXHTYCMDSGLK-UHFFFAOYSA-N 0 0 188.152 2.239 10 30 AEEERN CC1(C)CC[C@]12CC[C@@](C)(C=O)O2 306392584 345255054 /nfs/dbraw/zinc/25/50/54/345255054.db2.gz DDLBVIRLRWQNRV-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@@]12CC[C@@](C)(C=O)O2 306392587 345255169 /nfs/dbraw/zinc/25/51/69/345255169.db2.gz DDLBVIRLRWQNRV-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@@]12CC[C@](C)(C=O)O2 306392579 345255217 /nfs/dbraw/zinc/25/52/17/345255217.db2.gz DDLBVIRLRWQNRV-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@]12CC[C@](C)(C=O)O2 306392581 345255456 /nfs/dbraw/zinc/25/54/56/345255456.db2.gz DDLBVIRLRWQNRV-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN C=C(C)CS[C@H](C)C(C)=O 306395915 345257457 /nfs/dbraw/zinc/25/74/57/345257457.db2.gz HGJREXNEQDYCBZ-MRVPVSSYSA-N 0 0 158.266 2.273 10 30 AEEERN C=C(C)CS[C@@H](C)C(C)=O 306395916 345257514 /nfs/dbraw/zinc/25/75/14/345257514.db2.gz HGJREXNEQDYCBZ-QMMMGPOBSA-N 0 0 158.266 2.273 10 30 AEEERN CC=C=CC(=O)c1sccc1F 306395704 345257540 /nfs/dbraw/zinc/25/75/40/345257540.db2.gz HBXOLFWBZQTOFF-UHFFFAOYSA-N 0 0 182.219 2.483 10 30 AEEERN N/N=C/c1c[nH]c2cc(Cl)ccc12 306396260 345258213 /nfs/dbraw/zinc/25/82/13/345258213.db2.gz HITRQIVRSOHTOG-WLRTZDKTSA-N 0 0 193.637 2.114 10 30 AEEERN CC1(C)CC[C@]12CCC[C@@H](C=O)O2 306397466 345258577 /nfs/dbraw/zinc/25/85/77/345258577.db2.gz IGZQJKMIWBVINC-GXSJLCMTSA-N 0 0 182.263 2.313 10 30 AEEERN O=C(C1=COCC1)[C@@H]1CCCCS1 306397316 345258627 /nfs/dbraw/zinc/25/86/27/345258627.db2.gz VSIHWNKHRSGCMV-VIFPVBQESA-N 0 0 198.287 2.145 10 30 AEEERN O=C(C1=COCC1)[C@H]1CCCCS1 306397315 345258755 /nfs/dbraw/zinc/25/87/55/345258755.db2.gz VSIHWNKHRSGCMV-SECBINFHSA-N 0 0 198.287 2.145 10 30 AEEERN CC1(C)CC[C@]12CCC[C@H](C=O)O2 306397479 345259118 /nfs/dbraw/zinc/25/91/18/345259118.db2.gz IGZQJKMIWBVINC-MWLCHTKSSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@@]12CCC[C@H](C=O)O2 306397472 345259123 /nfs/dbraw/zinc/25/91/23/345259123.db2.gz IGZQJKMIWBVINC-KOLCDFICSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC[C@@]12CCC[C@@H](C=O)O2 306397483 345259256 /nfs/dbraw/zinc/25/92/56/345259256.db2.gz IGZQJKMIWBVINC-ONGXEEELSA-N 0 0 182.263 2.313 10 30 AEEERN N#C[C@]1(C/C=C/Cl)CCCC1=O 306398915 345260234 /nfs/dbraw/zinc/26/02/34/345260234.db2.gz KGCLRWJSTLQWFQ-YUWISIADSA-N 0 0 183.638 2.392 10 30 AEEERN N#C[C@@]1(C/C=C/Cl)CCCC1=O 306398910 345260330 /nfs/dbraw/zinc/26/03/30/345260330.db2.gz KGCLRWJSTLQWFQ-BBJBCUTESA-N 0 0 183.638 2.392 10 30 AEEERN C[Si](C)(C)C[C@@]1(C#N)CCCCN1 306401048 345261865 /nfs/dbraw/zinc/26/18/65/345261865.db2.gz PHWYIMUVLLRROR-JTQLQIEISA-N 0 0 196.370 2.360 10 30 AEEERN C[Si](C)(C)C[C@]1(C#N)CCCCN1 306401049 345262302 /nfs/dbraw/zinc/26/23/02/345262302.db2.gz PHWYIMUVLLRROR-SNVBAGLBSA-N 0 0 196.370 2.360 10 30 AEEERN C=CCNc1ncc(Cl)s1 306403962 345263941 /nfs/dbraw/zinc/26/39/41/345263941.db2.gz SQQGCDHAXLUSGW-UHFFFAOYSA-N 0 0 174.656 2.394 10 30 AEEERN CC1(C)CC[C@]1(O)C1(C#N)CCC1 306403682 345264012 /nfs/dbraw/zinc/26/40/12/345264012.db2.gz SJSIXEOQBISJCJ-LLVKDONJSA-N 0 0 179.263 2.231 10 30 AEEERN CC1(C)CC[C@@]1(O)C1(C#N)CCC1 306403683 345264046 /nfs/dbraw/zinc/26/40/46/345264046.db2.gz SJSIXEOQBISJCJ-NSHDSACASA-N 0 0 179.263 2.231 10 30 AEEERN C=CCSc1ccnc(F)c1 306404416 345264423 /nfs/dbraw/zinc/26/44/23/345264423.db2.gz TUJIFSXXCHSDCK-UHFFFAOYSA-N 0 0 169.224 2.499 10 30 AEEERN C=C(C)C(=O)c1cnc(C)c(C)c1 306405075 345265027 /nfs/dbraw/zinc/26/50/27/345265027.db2.gz JFOFVCPJSSPWAI-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN Cc1cnccc1C1=CCCC1=O 306406618 345266162 /nfs/dbraw/zinc/26/61/62/345266162.db2.gz HQSAOZAOVWDPDD-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN C=C(C(=O)/C=C/C)C(F)(F)F 306407523 345267177 /nfs/dbraw/zinc/26/71/77/345267177.db2.gz GHLDKWJFJPKULH-ONEGZZNKSA-N 0 0 164.126 2.250 10 30 AEEERN C=CC(=O)c1cnc(C)c(C)c1 306407518 345267259 /nfs/dbraw/zinc/26/72/59/345267259.db2.gz GGEOQIIHIQGKNM-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN CC1(C(=O)C2=COCC2)CCCC1 306408051 345267844 /nfs/dbraw/zinc/26/78/44/345267844.db2.gz GUKMAEKVJPAIKR-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN C[C@@]1(CO)C[C@@H]1C#Cc1ccccc1 306409349 345268850 /nfs/dbraw/zinc/26/88/50/345268850.db2.gz IQAKJVMAUXXLLQ-STQMWFEESA-N 0 0 186.254 2.057 10 30 AEEERN N#CCN1CCSC12CCCCC2 306411228 345270212 /nfs/dbraw/zinc/27/02/12/345270212.db2.gz KCQCDTNQMLKOMY-UHFFFAOYSA-N 0 0 196.319 2.219 10 30 AEEERN CC(=O)OCC#CC1CCCCC1 306411502 345270946 /nfs/dbraw/zinc/27/09/46/345270946.db2.gz ONTDIMVQBFJSBQ-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN CC#CCCC(=O)C(C)(C)F 306412350 345271644 /nfs/dbraw/zinc/27/16/44/345271644.db2.gz ZUGOMTQKZHTFIA-UHFFFAOYSA-N 0 0 156.200 2.107 10 30 AEEERN CO[C@]1(C=O)C[C@H](C)CC[C@@H]1C 306415398 345273590 /nfs/dbraw/zinc/27/35/90/345273590.db2.gz VILFGIGXCZOUGW-UTLUCORTSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)C[C@@H](C)CC[C@H]1C 306415393 345273753 /nfs/dbraw/zinc/27/37/53/345273753.db2.gz VILFGIGXCZOUGW-AEJSXWLSSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)C[C@@H](C)CC[C@@H]1C 306415396 345273906 /nfs/dbraw/zinc/27/39/06/345273906.db2.gz VILFGIGXCZOUGW-GUBZILKMSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)C[C@H](C)CC[C@H]1C 306415395 345274001 /nfs/dbraw/zinc/27/40/01/345274001.db2.gz VILFGIGXCZOUGW-BBBLOLIVSA-N 0 0 170.252 2.027 10 30 AEEERN CC1CCC2(CC1)CC[C@H](C=O)O2 306416414 345274424 /nfs/dbraw/zinc/27/44/24/345274424.db2.gz RGURWBSXHGBCRI-HSOILSAZSA-N 0 0 182.263 2.313 10 30 AEEERN CC1CCC2(CC1)CC[C@@H](C=O)O2 306416415 345274801 /nfs/dbraw/zinc/27/48/01/345274801.db2.gz RGURWBSXHGBCRI-YVNMAJEFSA-N 0 0 182.263 2.313 10 30 AEEERN CC(C)=NN1Cc2ccccc2C1 306419298 345276702 /nfs/dbraw/zinc/27/67/02/345276702.db2.gz WXLZOYCCKYLDNM-UHFFFAOYSA-N 0 0 174.247 2.398 10 30 AEEERN CO/N=C(/C)c1ccc(O)c(Cl)c1 306419513 345276872 /nfs/dbraw/zinc/27/68/72/345276872.db2.gz VRVAISINLUKPNW-WDZFZDKYSA-N 0 0 199.637 2.416 10 30 AEEERN CC#C[C@H](O)c1ccc(F)c(C)c1 306419962 345277280 /nfs/dbraw/zinc/27/72/80/345277280.db2.gz YKFJQUSIZHOPLF-NSHDSACASA-N 0 0 178.206 2.191 10 30 AEEERN CC#C[C@@H](O)c1ccc(F)c(C)c1 306419961 345277424 /nfs/dbraw/zinc/27/74/24/345277424.db2.gz YKFJQUSIZHOPLF-LLVKDONJSA-N 0 0 178.206 2.191 10 30 AEEERN CC#CCSC[C@@H]1CCCCO1 306420595 345277636 /nfs/dbraw/zinc/27/76/36/345277636.db2.gz GFTJOAODAJCRDK-JTQLQIEISA-N 0 0 184.304 2.312 10 30 AEEERN CC#CCSC[C@H]1CCCCO1 306420596 345277641 /nfs/dbraw/zinc/27/76/41/345277641.db2.gz GFTJOAODAJCRDK-SNVBAGLBSA-N 0 0 184.304 2.312 10 30 AEEERN CC(C)ON[C@H]1CCCCC[C@H]1C#N 306422704 345279516 /nfs/dbraw/zinc/27/95/16/345279516.db2.gz FQEWASMCDDMUGC-QWRGUYRKSA-N 0 0 196.294 2.388 10 30 AEEERN CC(C)ON[C@@H]1CCCCC[C@@H]1C#N 306422690 345279633 /nfs/dbraw/zinc/27/96/33/345279633.db2.gz FQEWASMCDDMUGC-GHMZBOCLSA-N 0 0 196.294 2.388 10 30 AEEERN CC(C)ON[C@H]1CCCCC[C@@H]1C#N 306422696 345279929 /nfs/dbraw/zinc/27/99/29/345279929.db2.gz FQEWASMCDDMUGC-MNOVXSKESA-N 0 0 196.294 2.388 10 30 AEEERN CC(C)ON[C@@H]1CCCCC[C@H]1C#N 306422710 345280073 /nfs/dbraw/zinc/28/00/73/345280073.db2.gz FQEWASMCDDMUGC-WDEREUQCSA-N 0 0 196.294 2.388 10 30 AEEERN C#CCNc1ccc(C(F)F)cn1 306425452 345282137 /nfs/dbraw/zinc/28/21/37/345282137.db2.gz OPOAQRPAELJGQL-UHFFFAOYSA-N 0 0 182.173 2.064 10 30 AEEERN Cc1ccc([C@H]2CC[C@@H](C=O)O2)s1 306425822 345283092 /nfs/dbraw/zinc/28/30/92/345283092.db2.gz QFKBJEHKVCLXKO-DTWKUNHWSA-N 0 0 196.271 2.476 10 30 AEEERN C[C@@H](C1CC1)N(C)C(C)(C)C#N 306425762 345282864 /nfs/dbraw/zinc/28/28/64/345282864.db2.gz JRJFJBDRDUZOHY-QMMMGPOBSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@H](C1CC1)N(C)C(C)(C)C#N 306425761 345283097 /nfs/dbraw/zinc/28/30/97/345283097.db2.gz JRJFJBDRDUZOHY-MRVPVSSYSA-N 0 0 166.268 2.019 10 30 AEEERN Cc1ccc([C@H]2CC[C@H](C=O)O2)s1 306425825 345283121 /nfs/dbraw/zinc/28/31/21/345283121.db2.gz QFKBJEHKVCLXKO-RKDXNWHRSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1ccc([C@@H]2CC[C@H](C=O)O2)s1 306425821 345283350 /nfs/dbraw/zinc/28/33/50/345283350.db2.gz QFKBJEHKVCLXKO-BDAKNGLRSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1ccc([C@@H]2CC[C@@H](C=O)O2)s1 306425823 345283382 /nfs/dbraw/zinc/28/33/82/345283382.db2.gz QFKBJEHKVCLXKO-IUCAKERBSA-N 0 0 196.271 2.476 10 30 AEEERN CO[C@H]1CCC[C@@H]1C(C)(C)C#N 306428508 345285812 /nfs/dbraw/zinc/28/58/12/345285812.db2.gz MRMXBPRJMUNKOZ-IUCAKERBSA-N 0 0 167.252 2.351 10 30 AEEERN CC[C@H](C)Oc1ccc(C#N)c(C)n1 306428633 345285825 /nfs/dbraw/zinc/28/58/25/345285825.db2.gz MZRADWXRVUPUEF-QMMMGPOBSA-N 0 0 190.246 2.439 10 30 AEEERN CO[C@@H]1CCC[C@@H]1C(C)(C)C#N 306428507 345285899 /nfs/dbraw/zinc/28/58/99/345285899.db2.gz MRMXBPRJMUNKOZ-DTWKUNHWSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@H]1CCC[C@H]1C(C)(C)C#N 306428509 345285957 /nfs/dbraw/zinc/28/59/57/345285957.db2.gz MRMXBPRJMUNKOZ-RKDXNWHRSA-N 0 0 167.252 2.351 10 30 AEEERN CC[C@@H](C)Oc1ccc(C#N)c(C)n1 306428632 345286042 /nfs/dbraw/zinc/28/60/42/345286042.db2.gz MZRADWXRVUPUEF-MRVPVSSYSA-N 0 0 190.246 2.439 10 30 AEEERN CO[C@H]1CCC[C@H]1C(C)(C)C#N 306428506 345286051 /nfs/dbraw/zinc/28/60/51/345286051.db2.gz MRMXBPRJMUNKOZ-BDAKNGLRSA-N 0 0 167.252 2.351 10 30 AEEERN C#CCNc1ccc(OC)cc1Cl 306429402 345287461 /nfs/dbraw/zinc/28/74/61/345287461.db2.gz OVZAITXNVMQQQA-UHFFFAOYSA-N 0 0 195.649 2.394 10 30 AEEERN C/C=C/C(=O)c1ccc(C#N)c(F)c1 306429866 345287986 /nfs/dbraw/zinc/28/79/86/345287986.db2.gz PPXMSWLTBHAXKA-NSCUHMNNSA-N 0 0 189.189 2.456 10 30 AEEERN CC(C)COc1csc(N)c1C#N 306430504 345288752 /nfs/dbraw/zinc/28/87/52/345288752.db2.gz QDFUVLXDWHLBLC-UHFFFAOYSA-N 0 0 196.275 2.237 10 30 AEEERN CC(C)(O)CCC1(C#N)CCC1 306430653 345288865 /nfs/dbraw/zinc/28/88/65/345288865.db2.gz QIRXVQBKCFBTAU-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN C#Cc1cc(Cl)c(F)cc1O 306430412 345288938 /nfs/dbraw/zinc/28/89/38/345288938.db2.gz BDGVDAIAOPZNNW-UHFFFAOYSA-N 0 0 170.570 2.166 10 30 AEEERN C#Cc1ccc(C=O)c(Cl)c1 306431082 345289322 /nfs/dbraw/zinc/28/93/22/345289322.db2.gz JTJSTYSWIGQHGG-UHFFFAOYSA-N 0 0 164.591 2.134 10 30 AEEERN C=CC(=O)c1[nH]cc(C)c1C 306431802 345291451 /nfs/dbraw/zinc/29/14/51/345291451.db2.gz VNBLVJKULMDWFA-UHFFFAOYSA-N 0 0 149.193 2.000 10 30 AEEERN CC(C)CN=Nc1cccc(F)n1 306432698 345292004 /nfs/dbraw/zinc/29/20/04/345292004.db2.gz UKGLVVZAIPXZCE-IZZDOVSWSA-N 0 0 181.214 2.274 10 30 AEEERN C[C@H]1CC[C@H]1Nc1ccncc1C#N 306433592 345292955 /nfs/dbraw/zinc/29/29/55/345292955.db2.gz XFECNOSFHTWEPL-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1ccncc1C#N 306433591 345293094 /nfs/dbraw/zinc/29/30/94/345293094.db2.gz XFECNOSFHTWEPL-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1ccncc1C#N 306433593 345293265 /nfs/dbraw/zinc/29/32/65/345293265.db2.gz XFECNOSFHTWEPL-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1ccncc1C#N 306433590 345293339 /nfs/dbraw/zinc/29/33/39/345293339.db2.gz XFECNOSFHTWEPL-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN Cc1ccc(N=NC2CCC2)nc1 306434621 345294501 /nfs/dbraw/zinc/29/45/01/345294501.db2.gz CTUMPXRKFFTVIQ-UHFFFAOYSA-N 0 0 175.235 2.342 10 30 AEEERN CC[C@@H]1CCC[C@@]1(O)C1(C#N)CC1 306435153 345295012 /nfs/dbraw/zinc/29/50/12/345295012.db2.gz BCNFMQAWRQGZBZ-KOLCDFICSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@@H]1CCC[C@]1(O)C1(C#N)CC1 306435154 345295020 /nfs/dbraw/zinc/29/50/20/345295020.db2.gz BCNFMQAWRQGZBZ-MWLCHTKSSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@H]1CCC[C@]1(O)C1(C#N)CC1 306435151 345295065 /nfs/dbraw/zinc/29/50/65/345295065.db2.gz BCNFMQAWRQGZBZ-GXSJLCMTSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@H]1CCC[C@@]1(O)C1(C#N)CC1 306435156 345295267 /nfs/dbraw/zinc/29/52/67/345295267.db2.gz BCNFMQAWRQGZBZ-ONGXEEELSA-N 0 0 179.263 2.231 10 30 AEEERN C=C(C)Cn1ccnc1SC 306435288 345295833 /nfs/dbraw/zinc/29/58/33/345295833.db2.gz BHDYCEGQOJMXMB-UHFFFAOYSA-N 0 0 168.265 2.181 10 30 AEEERN C=C(C)CSc1ccncn1 306435292 345295955 /nfs/dbraw/zinc/29/59/55/345295955.db2.gz BIBRRCDMVJQSDE-UHFFFAOYSA-N 0 0 166.249 2.145 10 30 AEEERN C#CCOc1cc(F)c(N)cc1Cl 306436279 345296533 /nfs/dbraw/zinc/29/65/33/345296533.db2.gz GJVHPXABFBICGJ-UHFFFAOYSA-N 0 0 199.612 2.073 10 30 AEEERN N#CC1(C2CCC2)CCOCC1 306438114 345298378 /nfs/dbraw/zinc/29/83/78/345298378.db2.gz LHNPIGHHMCHDOM-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN C=CCNc1csc(Cl)n1 306439435 345299812 /nfs/dbraw/zinc/29/98/12/345299812.db2.gz NBTOCQMDQXTLSJ-UHFFFAOYSA-N 0 0 174.656 2.394 10 30 AEEERN CC[C@@H]1CCC[C@@]12CC[C@@H](C=O)O2 306440836 345301331 /nfs/dbraw/zinc/30/13/31/345301331.db2.gz RFKCUAWFAMFUFV-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@H]1CCC[C@]12CC[C@@H](C=O)O2 306440837 345301379 /nfs/dbraw/zinc/30/13/79/345301379.db2.gz RFKCUAWFAMFUFV-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@H]1CCC[C@]12CC[C@H](C=O)O2 306440835 345301413 /nfs/dbraw/zinc/30/14/13/345301413.db2.gz RFKCUAWFAMFUFV-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@H]1CCC[C@@]12CC[C@H](C=O)O2 306440834 345301471 /nfs/dbraw/zinc/30/14/71/345301471.db2.gz RFKCUAWFAMFUFV-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN Fc1cccc(N=NC2CCC2)n1 306441358 345302183 /nfs/dbraw/zinc/30/21/83/345302183.db2.gz OQDDUKOIEZLCKJ-UHFFFAOYSA-N 0 0 179.198 2.173 10 30 AEEERN N#CC1(C2(O)CCCCCC2)CC1 306441879 345302681 /nfs/dbraw/zinc/30/26/81/345302681.db2.gz PCBAXHFMANVTKH-UHFFFAOYSA-N 0 0 179.263 2.375 10 30 AEEERN CC(C)=CCNc1ccncc1C#N 306441773 345302713 /nfs/dbraw/zinc/30/27/13/345302713.db2.gz VDUNWIFCWPPPAZ-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN Cc1ccc(N[C@H](C)CCC#N)cn1 306443016 345303738 /nfs/dbraw/zinc/30/37/38/345303738.db2.gz PVSLYQNHTNKYTG-SNVBAGLBSA-N 0 0 189.262 2.494 10 30 AEEERN Cc1ccc(N[C@@H](C)CCC#N)cn1 306443014 345303880 /nfs/dbraw/zinc/30/38/80/345303880.db2.gz PVSLYQNHTNKYTG-JTQLQIEISA-N 0 0 189.262 2.494 10 30 AEEERN C=CCc1noc(C(C)(C)F)n1 306446225 345306363 /nfs/dbraw/zinc/30/63/63/345306363.db2.gz ACOWQAAANMJOHF-UHFFFAOYSA-N 0 0 170.187 2.003 10 30 AEEERN CC(=O)C=C(C)NC1CCCC1 306447375 345307154 /nfs/dbraw/zinc/30/71/54/345307154.db2.gz DTPILQHPVRVBKL-FPLPWBNLSA-N 0 0 167.252 2.011 10 30 AEEERN N#C[C@@]1(C2CC2)CCCCC1=O 306447660 345307625 /nfs/dbraw/zinc/30/76/25/345307625.db2.gz FXTXUZLGOHKHTC-SNVBAGLBSA-N 0 0 163.220 2.049 10 30 AEEERN N#C[C@]1(C2CC2)CCCCC1=O 306447658 345307634 /nfs/dbraw/zinc/30/76/34/345307634.db2.gz FXTXUZLGOHKHTC-JTQLQIEISA-N 0 0 163.220 2.049 10 30 AEEERN C#CCNc1ccsc1Cl 306448141 345308095 /nfs/dbraw/zinc/30/80/95/345308095.db2.gz WMEAUIGZEVMICE-UHFFFAOYSA-N 0 0 171.652 2.447 10 30 AEEERN CCc1nc(C)cc(N=[N+]=[N-])n1 306447961 345308130 /nfs/dbraw/zinc/30/81/30/345308130.db2.gz GWMLQVNLRMTARQ-UHFFFAOYSA-N 0 0 163.184 2.289 10 30 AEEERN CC(C)(C#N)C[C@H](O)C(C)(C)C 306449454 345309532 /nfs/dbraw/zinc/30/95/32/345309532.db2.gz MREHRWSTODHLOI-QMMMGPOBSA-N 0 0 169.268 2.333 10 30 AEEERN CC(C)O[C@]1(C=O)CCC[C@@H]2C[C@@H]21 306449967 345309987 /nfs/dbraw/zinc/30/99/87/345309987.db2.gz BGNDWFMMWNYCRF-VWYCJHECSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@H](NCC#N)c1cc(F)ccc1F 306450052 345310089 /nfs/dbraw/zinc/31/00/89/345310089.db2.gz BQSAQOASWGEHRK-ZETCQYMHSA-N 0 0 196.200 2.139 10 30 AEEERN CC(C)O[C@]1(C=O)CCC[C@H]2C[C@H]21 306449964 345310190 /nfs/dbraw/zinc/31/01/90/345310190.db2.gz BGNDWFMMWNYCRF-AXFHLTTASA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H](NCC#N)c1cc(F)ccc1F 306450051 345310210 /nfs/dbraw/zinc/31/02/10/345310210.db2.gz BQSAQOASWGEHRK-SSDOTTSWSA-N 0 0 196.200 2.139 10 30 AEEERN CO[C@@H](C=O)c1cc(C)sc1C 306450277 345310482 /nfs/dbraw/zinc/31/04/82/345310482.db2.gz CCCCMSGPTUYYDZ-VIFPVBQESA-N 0 0 184.260 2.251 10 30 AEEERN CO[C@H](C=O)c1cc(C)sc1C 306450276 345310576 /nfs/dbraw/zinc/31/05/76/345310576.db2.gz CCCCMSGPTUYYDZ-SECBINFHSA-N 0 0 184.260 2.251 10 30 AEEERN O=C(C1=COCC1)c1sccc1F 306451354 345311621 /nfs/dbraw/zinc/31/16/21/345311621.db2.gz LPXJZSNFYBNWCB-UHFFFAOYSA-N 0 0 198.218 2.374 10 30 AEEERN CC(C)(C#N)CC1(O)CCCC1 306451478 345311768 /nfs/dbraw/zinc/31/17/68/345311768.db2.gz SAUALOPSVDZHDA-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN CC#C[C@]1(O)CCCC[C@@H]1CC 306451971 345312187 /nfs/dbraw/zinc/31/21/87/345312187.db2.gz SZZIZWXSXBHJMX-QWRGUYRKSA-N 0 0 166.264 2.341 10 30 AEEERN CC#C[C@@]1(O)CCCC[C@H]1CC 306451969 345312196 /nfs/dbraw/zinc/31/21/96/345312196.db2.gz SZZIZWXSXBHJMX-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CC#C[C@@]1(O)CCCC[C@@H]1CC 306451972 345312328 /nfs/dbraw/zinc/31/23/28/345312328.db2.gz SZZIZWXSXBHJMX-WDEREUQCSA-N 0 0 166.264 2.341 10 30 AEEERN CC#C[C@]1(O)CCCC[C@H]1CC 306451970 345312357 /nfs/dbraw/zinc/31/23/57/345312357.db2.gz SZZIZWXSXBHJMX-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CC(=O)C1=C(C)N2CCC=C2S1 306452669 345312943 /nfs/dbraw/zinc/31/29/43/345312943.db2.gz VWIKCBUJFHOFRA-UHFFFAOYSA-N 0 0 181.260 2.101 10 30 AEEERN C=C(Cl)CNC(=O)C(F)=C(C)C 306453640 345313593 /nfs/dbraw/zinc/31/35/93/345313593.db2.gz XUFUINMTSQHCHR-UHFFFAOYSA-N 0 0 191.633 2.119 10 30 AEEERN CC(C)(C)C[C@H](O)C1(C#N)CC1 306455538 345315253 /nfs/dbraw/zinc/31/52/53/345315253.db2.gz PHSLYICJBFFMEB-QMMMGPOBSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C)[C@@]1(C#N)CCCC1=O 306455466 345315317 /nfs/dbraw/zinc/31/53/17/345315317.db2.gz OQFCXJVWONUVOH-WPRPVWTQSA-N 0 0 165.236 2.295 10 30 AEEERN CC(C)(C)C[C@@H](O)C1(C#N)CC1 306455537 345315380 /nfs/dbraw/zinc/31/53/80/345315380.db2.gz PHSLYICJBFFMEB-MRVPVSSYSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H](C)[C@]1(C#N)CCCC1=O 306455465 345315444 /nfs/dbraw/zinc/31/54/44/345315444.db2.gz OQFCXJVWONUVOH-WCBMZHEXSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@@H](C)[C@@]1(C#N)CCCC1=O 306455464 345315535 /nfs/dbraw/zinc/31/55/35/345315535.db2.gz OQFCXJVWONUVOH-SCZZXKLOSA-N 0 0 165.236 2.295 10 30 AEEERN CC[C@@H](C)[C@]1(C#N)CCCC1=O 306455463 345315540 /nfs/dbraw/zinc/31/55/40/345315540.db2.gz OQFCXJVWONUVOH-PSASIEDQSA-N 0 0 165.236 2.295 10 30 AEEERN CCOC[C@@]1(C#N)CC[C@H](C)C1 306456509 345315926 /nfs/dbraw/zinc/31/59/26/345315926.db2.gz SYYKPPHNUCVDDX-UWVGGRQHSA-N 0 0 167.252 2.353 10 30 AEEERN CCOC[C@@]1(C#N)CC[C@@H](C)C1 306456513 345316085 /nfs/dbraw/zinc/31/60/85/345316085.db2.gz SYYKPPHNUCVDDX-ZJUUUORDSA-N 0 0 167.252 2.353 10 30 AEEERN CCOC[C@]1(C#N)CC[C@@H](C)C1 306456507 345316134 /nfs/dbraw/zinc/31/61/34/345316134.db2.gz SYYKPPHNUCVDDX-NXEZZACHSA-N 0 0 167.252 2.353 10 30 AEEERN CCOC[C@]1(C#N)CC[C@H](C)C1 306456512 345316241 /nfs/dbraw/zinc/31/62/41/345316241.db2.gz SYYKPPHNUCVDDX-VHSXEESVSA-N 0 0 167.252 2.353 10 30 AEEERN C#CCOc1cc(Cl)cc(C#N)c1 306456746 345316480 /nfs/dbraw/zinc/31/64/80/345316480.db2.gz VLDQWRZXQVHROK-UHFFFAOYSA-N 0 0 191.617 2.224 10 30 AEEERN C=C(c1cccc(=O)[nH]1)C(F)(F)F 306457248 345317166 /nfs/dbraw/zinc/31/71/66/345317166.db2.gz YUXYDHSHGHVIFP-UHFFFAOYSA-N 0 0 189.136 2.363 10 30 AEEERN O=CC1(Cc2ccc(Cl)nc2)CC1 306460018 345319242 /nfs/dbraw/zinc/31/92/42/345319242.db2.gz FHKHQPKLZVIZPI-UHFFFAOYSA-N 0 0 195.649 2.257 10 30 AEEERN C#CCCNc1ccnc(C(C)C)n1 306460005 345319397 /nfs/dbraw/zinc/31/93/97/345319397.db2.gz FGUHUEJSCZPOKB-UHFFFAOYSA-N 0 0 189.262 2.035 10 30 AEEERN CC#CC(=O)Oc1ccc(Cl)cc1 306460469 345319735 /nfs/dbraw/zinc/31/97/35/345319735.db2.gz CJVVFQPTBSAACU-UHFFFAOYSA-N 0 0 194.617 2.269 10 30 AEEERN C#CCCC1(C=O)Cc2ccccc2C1 306460736 345319874 /nfs/dbraw/zinc/31/98/74/345319874.db2.gz FPGPWZSBADFGBT-UHFFFAOYSA-N 0 0 198.265 2.384 10 30 AEEERN CSc1ccc(C#N)cc1[N+](=O)[O-] 306463606 345323512 /nfs/dbraw/zinc/32/35/12/345323512.db2.gz HQHBWUGVJMQFBP-UHFFFAOYSA-N 0 0 194.215 2.188 10 30 AEEERN C[C@@H](NC(C)(C)C#N)c1nccs1 306463801 345324036 /nfs/dbraw/zinc/32/40/36/345324036.db2.gz BXHWHQWXYPSHNK-SSDOTTSWSA-N 0 0 195.291 2.096 10 30 AEEERN C[C@H](NC(C)(C)C#N)c1nccs1 306463802 345324086 /nfs/dbraw/zinc/32/40/86/345324086.db2.gz BXHWHQWXYPSHNK-ZETCQYMHSA-N 0 0 195.291 2.096 10 30 AEEERN C#Cc1cc(=S)[nH]c(C(C)(C)C)n1 306465653 345326077 /nfs/dbraw/zinc/32/60/77/345326077.db2.gz KAGCXULWWUQLJX-UHFFFAOYSA-N 0 0 192.287 2.418 10 30 AEEERN C[C@@H]1C[C@@H]1[C@]1(C)CC[C@](C)(C=O)O1 306466090 345326724 /nfs/dbraw/zinc/32/67/24/345326724.db2.gz FQMPGOQMUNCQJE-YTWAJWBKSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1[C@]1(C)CC[C@@](C)(C=O)O1 306466084 345326801 /nfs/dbraw/zinc/32/68/01/345326801.db2.gz FQMPGOQMUNCQJE-RCWTZXSCSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@]1(C)CC[C@@](C)(C=O)O1 306466087 345326593 /nfs/dbraw/zinc/32/65/93/345326593.db2.gz FQMPGOQMUNCQJE-VPOLOUISSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@@H]1[C@@]1(C)CC[C@](C)(C=O)O1 306466082 345326623 /nfs/dbraw/zinc/32/66/23/345326623.db2.gz FQMPGOQMUNCQJE-LMLFDSFASA-N 0 0 182.263 2.169 10 30 AEEERN Cc1occc1[C@H]1OCC[C@@H]1C#N 306466113 345326755 /nfs/dbraw/zinc/32/67/55/345326755.db2.gz FRLGSKDUPNHKGN-SCZZXKLOSA-N 0 0 177.203 2.189 10 30 AEEERN C=CCSCCC(C)(C)O 306465993 345326885 /nfs/dbraw/zinc/32/68/85/345326885.db2.gz FKPBQOPSTPREJS-UHFFFAOYSA-N 0 0 160.282 2.067 10 30 AEEERN Cc1occc1[C@H]1OCC[C@H]1C#N 306466117 345326889 /nfs/dbraw/zinc/32/68/89/345326889.db2.gz FRLGSKDUPNHKGN-WPRPVWTQSA-N 0 0 177.203 2.189 10 30 AEEERN Cc1occc1[C@@H]1OCC[C@@H]1C#N 306466110 345326917 /nfs/dbraw/zinc/32/69/17/345326917.db2.gz FRLGSKDUPNHKGN-PSASIEDQSA-N 0 0 177.203 2.189 10 30 AEEERN Cc1occc1[C@@H]1OCC[C@H]1C#N 306466115 345326929 /nfs/dbraw/zinc/32/69/29/345326929.db2.gz FRLGSKDUPNHKGN-WCBMZHEXSA-N 0 0 177.203 2.189 10 30 AEEERN CC(=O)[C@@](C)(C#N)C/C=C/Cl 306467519 345328580 /nfs/dbraw/zinc/32/85/80/345328580.db2.gz QYFGTDIAIPHDAF-RYEJSQLPSA-N 0 0 171.627 2.248 10 30 AEEERN CC(=O)[C@](C)(C#N)C/C=C/Cl 306467520 345328583 /nfs/dbraw/zinc/32/85/83/345328583.db2.gz QYFGTDIAIPHDAF-WGAJWPLOSA-N 0 0 171.627 2.248 10 30 AEEERN CC#C[C@@H](O)c1ccc(F)cc1C 306468434 345329657 /nfs/dbraw/zinc/32/96/57/345329657.db2.gz MRVYQDKWMZESOT-LLVKDONJSA-N 0 0 178.206 2.191 10 30 AEEERN N#CCC(=O)Oc1ccc(Cl)cc1 306468169 345329797 /nfs/dbraw/zinc/32/97/97/345329797.db2.gz NKLXXBRCMMKUFP-UHFFFAOYSA-N 0 0 195.605 2.159 10 30 AEEERN CC#C[C@H](O)c1ccc(F)cc1C 306468435 345330003 /nfs/dbraw/zinc/33/00/03/345330003.db2.gz MRVYQDKWMZESOT-NSHDSACASA-N 0 0 178.206 2.191 10 30 AEEERN O=CC1(CC2CCC(O)CC2)CCC1 306468596 345330504 /nfs/dbraw/zinc/33/05/04/345330504.db2.gz OBBKQMQFNCMLDM-UHFFFAOYSA-N 0 0 196.290 2.297 10 30 AEEERN Cc1cc(C#N)ccc1N1CCC1 306468586 345330542 /nfs/dbraw/zinc/33/05/42/345330542.db2.gz NZKHMVCTBIFVEQ-UHFFFAOYSA-N 0 0 172.231 2.077 10 30 AEEERN CC#CCSCc1cc(C)ncn1 306468673 345330664 /nfs/dbraw/zinc/33/06/64/345330664.db2.gz MZDVUANUCOXRRP-UHFFFAOYSA-N 0 0 192.287 2.042 10 30 AEEERN CO[C@]1(C=O)CCC(C)(C)C[C@@H]1C 306468930 345331073 /nfs/dbraw/zinc/33/10/73/345331073.db2.gz OPJKWFQSOJJIRF-ONGXEEELSA-N 0 0 184.279 2.417 10 30 AEEERN CO[C@@]1(C=O)CCC(C)(C)C[C@@H]1C 306468927 345331082 /nfs/dbraw/zinc/33/10/82/345331082.db2.gz OPJKWFQSOJJIRF-GXSJLCMTSA-N 0 0 184.279 2.417 10 30 AEEERN CO[C@]1(C=O)CCC(C)(C)C[C@H]1C 306468928 345331186 /nfs/dbraw/zinc/33/11/86/345331186.db2.gz OPJKWFQSOJJIRF-KOLCDFICSA-N 0 0 184.279 2.417 10 30 AEEERN CO[C@@]1(C=O)CCC(C)(C)C[C@H]1C 306468929 345331189 /nfs/dbraw/zinc/33/11/89/345331189.db2.gz OPJKWFQSOJJIRF-MWLCHTKSSA-N 0 0 184.279 2.417 10 30 AEEERN CCN(C)c1ncc(C#N)cc1Cl 306469493 345332480 /nfs/dbraw/zinc/33/24/80/345332480.db2.gz OREZRVDPIIBSFR-UHFFFAOYSA-N 0 0 195.653 2.063 10 30 AEEERN CC#CCC(=O)C1(CC)CC1 306469877 345332848 /nfs/dbraw/zinc/33/28/48/345332848.db2.gz VVLUHCGQPPFSLE-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CO[C@@]1(C=O)CCC[C@@H](C2CC2)C1 306470055 345332855 /nfs/dbraw/zinc/33/28/55/345332855.db2.gz QHVWXMPTCYFARA-MNOVXSKESA-N 0 0 182.263 2.171 10 30 AEEERN CC#CCC1(C=O)Cc2ccccc2C1 306470034 345332856 /nfs/dbraw/zinc/33/28/56/345332856.db2.gz QFCNSOSPLSNNRR-UHFFFAOYSA-N 0 0 198.265 2.384 10 30 AEEERN CO[C@]1(C=O)CCC[C@@H](C2CC2)C1 306470054 345332882 /nfs/dbraw/zinc/33/28/82/345332882.db2.gz QHVWXMPTCYFARA-GHMZBOCLSA-N 0 0 182.263 2.171 10 30 AEEERN C#CC[C@@H](O)c1ccsc1C 306470539 345333494 /nfs/dbraw/zinc/33/34/94/345333494.db2.gz XPUIPHFZNLRYAM-SECBINFHSA-N 0 0 166.245 2.113 10 30 AEEERN C#CC[C@H](O)c1ccsc1C 306470540 345333646 /nfs/dbraw/zinc/33/36/46/345333646.db2.gz XPUIPHFZNLRYAM-VIFPVBQESA-N 0 0 166.245 2.113 10 30 AEEERN N#CC1(c2ncncc2Cl)CCC1 306472212 345335753 /nfs/dbraw/zinc/33/57/53/345335753.db2.gz BWBNDTAEGKKREU-UHFFFAOYSA-N 0 0 193.637 2.075 10 30 AEEERN CCO[C@@]1(C=O)CCCC12CCC2 306472649 345336177 /nfs/dbraw/zinc/33/61/77/345336177.db2.gz TUXSGEWQQCKBPG-LLVKDONJSA-N 0 0 182.263 2.315 10 30 AEEERN C=CCS[C@@H]1CCCC1=O 306472722 345336326 /nfs/dbraw/zinc/33/63/26/345336326.db2.gz FVGLFNSDZIRSED-MRVPVSSYSA-N 0 0 156.250 2.027 10 30 AEEERN O=C(C1=CCCO1)c1sccc1F 306472544 345336421 /nfs/dbraw/zinc/33/64/21/345336421.db2.gz CACSPRABNKRZEE-UHFFFAOYSA-N 0 0 198.218 2.374 10 30 AEEERN CCO[C@]1(C=O)CCCC12CCC2 306472650 345336507 /nfs/dbraw/zinc/33/65/07/345336507.db2.gz TUXSGEWQQCKBPG-NSHDSACASA-N 0 0 182.263 2.315 10 30 AEEERN CC[C@H](C)Sc1ncncc1C#N 306473406 345337405 /nfs/dbraw/zinc/33/74/05/345337405.db2.gz DJVIMZUGGGTRHH-ZETCQYMHSA-N 0 0 193.275 2.239 10 30 AEEERN CC[C@@H](C)Sc1ncncc1C#N 306473405 345337520 /nfs/dbraw/zinc/33/75/20/345337520.db2.gz DJVIMZUGGGTRHH-SSDOTTSWSA-N 0 0 193.275 2.239 10 30 AEEERN N#CC(Cl)(C1CC1)C1CC1 306474912 345339372 /nfs/dbraw/zinc/33/93/72/345339372.db2.gz ORBKQDZGMILUOE-UHFFFAOYSA-N 0 0 155.628 2.308 10 30 AEEERN CO[C@@H](C=O)c1ccsc1Cl 306476155 345341350 /nfs/dbraw/zinc/34/13/50/345341350.db2.gz XVJUCWCYMXVDBX-LURJTMIESA-N 0 0 190.651 2.288 10 30 AEEERN CO[C@H](C=O)c1ccsc1Cl 306476156 345341675 /nfs/dbraw/zinc/34/16/75/345341675.db2.gz XVJUCWCYMXVDBX-ZCFIWIBFSA-N 0 0 190.651 2.288 10 30 AEEERN O=C1C=COC(C2CC2)(C2CC2)C1 306476791 345342992 /nfs/dbraw/zinc/34/29/92/345342992.db2.gz JYTHNNODEWJEOW-UHFFFAOYSA-N 0 0 178.231 2.048 10 30 AEEERN C=CCCCC1(C=O)CC1 306478811 345345472 /nfs/dbraw/zinc/34/54/72/345345472.db2.gz ZXZPAQKZWODXQC-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN N#CCCCSCC1CC1 306478875 345345655 /nfs/dbraw/zinc/34/56/55/345345655.db2.gz DBICPEJQDFFYHK-UHFFFAOYSA-N 0 0 155.266 2.433 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(c2ncns2)C1 306479329 345346278 /nfs/dbraw/zinc/34/62/78/345346278.db2.gz LTHLCBLNKBUZIV-VXNVDRBHSA-N 0 0 193.275 2.119 10 30 AEEERN C[C@H]1CC[C@@](C#N)(c2ncns2)C1 306479327 345346090 /nfs/dbraw/zinc/34/60/90/345346090.db2.gz LTHLCBLNKBUZIV-IONNQARKSA-N 0 0 193.275 2.119 10 30 AEEERN C[C@H]1CC[C@](C#N)(c2ncns2)C1 306479325 345346114 /nfs/dbraw/zinc/34/61/14/345346114.db2.gz LTHLCBLNKBUZIV-CBAPKCEASA-N 0 0 193.275 2.119 10 30 AEEERN C[C@@H]1CC[C@](C#N)(c2ncns2)C1 306479322 345346199 /nfs/dbraw/zinc/34/61/99/345346199.db2.gz LTHLCBLNKBUZIV-APPZFPTMSA-N 0 0 193.275 2.119 10 30 AEEERN Cc1nccc(C(C#N)C#N)c1Cl 306479438 345346698 /nfs/dbraw/zinc/34/66/98/345346698.db2.gz MHMSVBLJQQEDNR-UHFFFAOYSA-N 0 0 191.621 2.174 10 30 AEEERN C#CCSc1nccn1C(C)(C)C 306479955 345347188 /nfs/dbraw/zinc/34/71/88/345347188.db2.gz IJZRNGKXCIWXDP-UHFFFAOYSA-N 0 0 194.303 2.363 10 30 AEEERN C=CCCSCC(C)(C)O 306479835 345347352 /nfs/dbraw/zinc/34/73/52/345347352.db2.gz BRSZQSHDHBNGOI-UHFFFAOYSA-N 0 0 160.282 2.067 10 30 AEEERN C=C[C@H](C)C1(C#N)CC1 306480233 345347842 /nfs/dbraw/zinc/34/78/42/345347842.db2.gz ILVDZRGWILMEJN-ZETCQYMHSA-N 0 0 121.183 2.112 10 30 AEEERN C=C[C@@H](C)C1(C#N)CC1 306480232 345348095 /nfs/dbraw/zinc/34/80/95/345348095.db2.gz ILVDZRGWILMEJN-SSDOTTSWSA-N 0 0 121.183 2.112 10 30 AEEERN C=C(C)CNC(=O)[C@H]1C=CCCC1 306480382 345348522 /nfs/dbraw/zinc/34/85/22/345348522.db2.gz CCRWVXWIHIMYAT-JTQLQIEISA-N 0 0 179.263 2.035 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@](C)(C=O)O1 306480450 345348526 /nfs/dbraw/zinc/34/85/26/345348526.db2.gz FJMZIKBUQLWAOW-WCBMZHEXSA-N 0 0 170.252 2.169 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1C=CCCC1 306480383 345348657 /nfs/dbraw/zinc/34/86/57/345348657.db2.gz CCRWVXWIHIMYAT-SNVBAGLBSA-N 0 0 179.263 2.035 10 30 AEEERN CC(C)(C)[C@H]1CC[C@](C)(C=O)O1 306480438 345348714 /nfs/dbraw/zinc/34/87/14/345348714.db2.gz FJMZIKBUQLWAOW-PSASIEDQSA-N 0 0 170.252 2.169 10 30 AEEERN C#CCCSc1ncccc1C#N 306480402 345348726 /nfs/dbraw/zinc/34/87/26/345348726.db2.gz CESRGFPWUOTKEE-UHFFFAOYSA-N 0 0 188.255 2.069 10 30 AEEERN Cc1cc(C#N)cc(N2CC[C@@H]2C)c1 306480755 345348762 /nfs/dbraw/zinc/34/87/62/345348762.db2.gz NLMFBOZHGTYQGJ-JTQLQIEISA-N 0 0 186.258 2.465 10 30 AEEERN Cc1cc(C#N)cc(N2CC[C@H]2C)c1 306480756 345348772 /nfs/dbraw/zinc/34/87/72/345348772.db2.gz NLMFBOZHGTYQGJ-SNVBAGLBSA-N 0 0 186.258 2.465 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@@](C)(C=O)O1 306480455 345348790 /nfs/dbraw/zinc/34/87/90/345348790.db2.gz FJMZIKBUQLWAOW-WPRPVWTQSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)(C)[C@H]1CC[C@@](C)(C=O)O1 306480443 345348809 /nfs/dbraw/zinc/34/88/09/345348809.db2.gz FJMZIKBUQLWAOW-SCZZXKLOSA-N 0 0 170.252 2.169 10 30 AEEERN CC1(C)CC[C@@]1(Br)C#N 306480916 345349115 /nfs/dbraw/zinc/34/91/15/345349115.db2.gz JRPTZQRJKDZBTN-SSDOTTSWSA-N 0 0 188.068 2.464 10 30 AEEERN CC#C[C@@](O)(CCC)C1CCC1 306481014 345349157 /nfs/dbraw/zinc/34/91/57/345349157.db2.gz COUAXCWZLHGHHH-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN CC#C[C@](O)(CCC)C1CCC1 306481013 345349215 /nfs/dbraw/zinc/34/92/15/345349215.db2.gz COUAXCWZLHGHHH-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN CC1(C)CC[C@]1(Br)C#N 306480917 345349259 /nfs/dbraw/zinc/34/92/59/345349259.db2.gz JRPTZQRJKDZBTN-ZETCQYMHSA-N 0 0 188.068 2.464 10 30 AEEERN C=CCNc1cc(C)c(N)cc1F 306481512 345349626 /nfs/dbraw/zinc/34/96/26/345349626.db2.gz NYXYYMIJYWNCEB-UHFFFAOYSA-N 0 0 180.226 2.314 10 30 AEEERN Cc1ccc([C@@H]2CC[C@H](C=O)O2)o1 306481509 345349732 /nfs/dbraw/zinc/34/97/32/345349732.db2.gz NYVBEOALSCXZSQ-SCZZXKLOSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1ccc([C@@H]2CC[C@@H](C=O)O2)o1 306481511 345349767 /nfs/dbraw/zinc/34/97/67/345349767.db2.gz NYVBEOALSCXZSQ-WPRPVWTQSA-N 0 0 180.203 2.007 10 30 AEEERN C=C(Cl)C(C)(C)C(=O)NC(C)C 306481357 345349840 /nfs/dbraw/zinc/34/98/40/345349840.db2.gz NTSRQQLGPMQWHL-UHFFFAOYSA-N 0 0 189.686 2.290 10 30 AEEERN O=C(C1=COCC1)C1CCCCC1 306481471 345349924 /nfs/dbraw/zinc/34/99/24/345349924.db2.gz NWOJOADMTHRWHD-UHFFFAOYSA-N 0 0 180.247 2.440 10 30 AEEERN Cc1ccc([C@H]2CC[C@@H](C=O)O2)o1 306481510 345349976 /nfs/dbraw/zinc/34/99/76/345349976.db2.gz NYVBEOALSCXZSQ-WCBMZHEXSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1ccc([C@H]2CC[C@H](C=O)O2)o1 306481508 345349997 /nfs/dbraw/zinc/34/99/97/345349997.db2.gz NYVBEOALSCXZSQ-PSASIEDQSA-N 0 0 180.203 2.007 10 30 AEEERN CC#CCOC(=O)c1ccc(C)s1 306481849 345350534 /nfs/dbraw/zinc/35/05/34/345350534.db2.gz DKUMSQHQSQAGAN-UHFFFAOYSA-N 0 0 194.255 2.237 10 30 AEEERN CC(C)(C#N)CCCF 306482863 345351237 /nfs/dbraw/zinc/35/12/37/345351237.db2.gz OHAAHZAQECEKFL-UHFFFAOYSA-N 0 0 129.178 2.286 10 30 AEEERN CC#CCCOc1cccnc1C 306482637 345351418 /nfs/dbraw/zinc/35/14/18/345351418.db2.gz DWMHSOQAKASOOB-UHFFFAOYSA-N 0 0 175.231 2.182 10 30 AEEERN CC#CCCOc1cccc(C)n1 306482647 345351476 /nfs/dbraw/zinc/35/14/76/345351476.db2.gz DYSDVPXFPYMBKJ-UHFFFAOYSA-N 0 0 175.231 2.182 10 30 AEEERN C[C@@]1(C=O)CC[C@](C)(C(F)(F)F)O1 306483789 345352225 /nfs/dbraw/zinc/35/22/25/345352225.db2.gz PERSGTXSFMVTCD-NKWVEPMBSA-N 0 0 196.168 2.075 10 30 AEEERN C[C@@]1(C(F)(F)F)CC[C@](C)(C=O)O1 306483791 345352270 /nfs/dbraw/zinc/35/22/70/345352270.db2.gz PERSGTXSFMVTCD-RQJHMYQMSA-N 0 0 196.168 2.075 10 30 AEEERN C[C@@]1(C=O)CC[C@@](C)(C(F)(F)F)O1 306483788 345352326 /nfs/dbraw/zinc/35/23/26/345352326.db2.gz PERSGTXSFMVTCD-BQBZGAKWSA-N 0 0 196.168 2.075 10 30 AEEERN C[C@]1(C=O)CC[C@](C)(C(F)(F)F)O1 306483790 345352334 /nfs/dbraw/zinc/35/23/34/345352334.db2.gz PERSGTXSFMVTCD-RNFRBKRXSA-N 0 0 196.168 2.075 10 30 AEEERN C=CCc1noc(-c2ccco2)n1 306483985 345352741 /nfs/dbraw/zinc/35/27/41/345352741.db2.gz FTHXSDCOWVHSDB-UHFFFAOYSA-N 0 0 176.175 2.058 10 30 AEEERN Cc1cc(C(=O)C2=COCC2)co1 306484807 345354157 /nfs/dbraw/zinc/35/41/57/345354157.db2.gz QRRAITZCNKMQRK-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C[C@@H]1CCC[C@@H]1C(=O)C1=COCC1 306485271 345354510 /nfs/dbraw/zinc/35/45/10/345354510.db2.gz RFFFOJBNTYJNNX-SCZZXKLOSA-N 0 0 180.247 2.296 10 30 AEEERN Clc1ccc(N=NC2CCC2)nn1 306484985 345354532 /nfs/dbraw/zinc/35/45/32/345354532.db2.gz NLSKIBAEVNCXLI-UHFFFAOYSA-N 0 0 196.641 2.082 10 30 AEEERN C[C@H]1CCC[C@H]1C(=O)C1=COCC1 306485272 345354610 /nfs/dbraw/zinc/35/46/10/345354610.db2.gz RFFFOJBNTYJNNX-WCBMZHEXSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1CCC[C@H]1C(=O)C1=COCC1 306485270 345354644 /nfs/dbraw/zinc/35/46/44/345354644.db2.gz RFFFOJBNTYJNNX-PSASIEDQSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1CCC[C@@H]1C(=O)C1=COCC1 306485273 345355003 /nfs/dbraw/zinc/35/50/03/345355003.db2.gz RFFFOJBNTYJNNX-WPRPVWTQSA-N 0 0 180.247 2.296 10 30 AEEERN C=CC(=O)c1sccc1F 306485994 345355437 /nfs/dbraw/zinc/35/54/37/345355437.db2.gz VMVJEFNGXGEPON-UHFFFAOYSA-N 0 0 156.181 2.256 10 30 AEEERN Cc1occc1[C@@H]1CC[C@H](C=O)O1 306485804 345355463 /nfs/dbraw/zinc/35/54/63/345355463.db2.gz NSTBCLAMNBDQRA-SCZZXKLOSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1occc1[C@H]1CC[C@H](C=O)O1 306485802 345355717 /nfs/dbraw/zinc/35/57/17/345355717.db2.gz NSTBCLAMNBDQRA-PSASIEDQSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1occc1[C@H]1CC[C@@H](C=O)O1 306485806 345355725 /nfs/dbraw/zinc/35/57/25/345355725.db2.gz NSTBCLAMNBDQRA-WCBMZHEXSA-N 0 0 180.203 2.007 10 30 AEEERN CC(C)(C#N)CCCS 306486568 345356484 /nfs/dbraw/zinc/35/64/84/345356484.db2.gz YBHKIZWMTRSCIV-UHFFFAOYSA-N 0 0 143.255 2.246 10 30 AEEERN O=C(C1=COCC1)c1ccc(Cl)o1 306487112 345357129 /nfs/dbraw/zinc/35/71/29/345357129.db2.gz SXHKRFUPUFHCJL-UHFFFAOYSA-N 0 0 198.605 2.420 10 30 AEEERN CC[C@]1(C2CCC2)CC[C@@H](C=O)O1 306487393 345357604 /nfs/dbraw/zinc/35/76/04/345357604.db2.gz JDHMZAVCRBJQCO-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@]1(C2CCC2)CC[C@H](C=O)O1 306487389 345357618 /nfs/dbraw/zinc/35/76/18/345357618.db2.gz JDHMZAVCRBJQCO-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@]1(C2CCC2)CC[C@@H](C=O)O1 306487391 345357638 /nfs/dbraw/zinc/35/76/38/345357638.db2.gz JDHMZAVCRBJQCO-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@]1(C2CCC2)CC[C@H](C=O)O1 306487387 345357759 /nfs/dbraw/zinc/35/77/59/345357759.db2.gz JDHMZAVCRBJQCO-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN C#CCn1ccc(-c2ccsc2)n1 306487324 345357781 /nfs/dbraw/zinc/35/77/81/345357781.db2.gz IXCXAYOCVYDIJX-UHFFFAOYSA-N 0 0 188.255 2.245 10 30 AEEERN C#CCC(=O)[C@@H]1CC2CCC1CC2 306488286 345358665 /nfs/dbraw/zinc/35/86/65/345358665.db2.gz KBDKPZYENFADJS-VQXHTEKXSA-N 0 0 176.259 2.405 10 30 AEEERN C#CCC(=O)[C@H]1CC2CCC1CC2 306488285 345359009 /nfs/dbraw/zinc/35/90/09/345359009.db2.gz KBDKPZYENFADJS-ILDUYXDCSA-N 0 0 176.259 2.405 10 30 AEEERN C=C1CCCN(c2nnc(C)s2)C1 306488761 345359616 /nfs/dbraw/zinc/35/96/16/345359616.db2.gz LDGMXBUHRDYFIY-UHFFFAOYSA-N 0 0 195.291 2.003 10 30 AEEERN CC(=O)/C=C/c1ccoc1C 306489018 345360167 /nfs/dbraw/zinc/36/01/67/345360167.db2.gz SQLFANBEDQPTRW-ONEGZZNKSA-N 0 0 150.177 2.190 10 30 AEEERN CNc1ccc(/C=C/C(C)=O)cc1 306489847 345361153 /nfs/dbraw/zinc/36/11/53/345361153.db2.gz XXILVBNIVUOKAT-ONEGZZNKSA-N 0 0 175.231 2.331 10 30 AEEERN C=C[C@H](O)C(C)(C)C1CCC1 306489992 345361921 /nfs/dbraw/zinc/36/19/21/345361921.db2.gz MMZSWDPEYMETRB-VIFPVBQESA-N 0 0 154.253 2.360 10 30 AEEERN C=C[C@@H](O)C(C)(C)C1CCC1 306489991 345362113 /nfs/dbraw/zinc/36/21/13/345362113.db2.gz MMZSWDPEYMETRB-SECBINFHSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)(C(=O)C(C#N)C#N)C1CCC1 306490727 345363055 /nfs/dbraw/zinc/36/30/55/345363055.db2.gz NIVITJXPWZBNBI-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN CC(C)C1CC2(CC[C@H](C=O)O2)C1 306490679 345363073 /nfs/dbraw/zinc/36/30/73/345363073.db2.gz ZINKYDCWQWNADE-HSOILSAZSA-N 0 0 182.263 2.169 10 30 AEEERN C=C1CC[NH+](Cc2ccoc2)CC1 306490750 345363121 /nfs/dbraw/zinc/36/31/21/345363121.db2.gz NNIOINMPEQQWJF-UHFFFAOYSA-N 0 0 177.247 2.432 10 30 AEEERN CC(C)C1CC2(CC[C@@H](C=O)O2)C1 306490680 345363128 /nfs/dbraw/zinc/36/31/28/345363128.db2.gz ZINKYDCWQWNADE-YVNMAJEFSA-N 0 0 182.263 2.169 10 30 AEEERN Cc1c(Cl)ccc(C#CCO)c1F 306491323 345363756 /nfs/dbraw/zinc/36/37/56/345363756.db2.gz NLOZBKFWHAXIAB-UHFFFAOYSA-N 0 0 198.624 2.131 10 30 AEEERN CC#CCCSC1CCOCC1 306491567 345364173 /nfs/dbraw/zinc/36/41/73/345364173.db2.gz NTTSAHABPJYLRD-UHFFFAOYSA-N 0 0 184.304 2.312 10 30 AEEERN CC(C)OC(=O)c1cscc1C#N 306491884 345364575 /nfs/dbraw/zinc/36/45/75/345364575.db2.gz OYXKHALOBUSMEJ-UHFFFAOYSA-N 0 0 195.243 2.185 10 30 AEEERN C[C@@H](NC(C)(C)C#N)c1ccoc1 306493511 345366431 /nfs/dbraw/zinc/36/64/31/345366431.db2.gz ZGPOUZWZMHPPCC-MRVPVSSYSA-N 0 0 178.235 2.232 10 30 AEEERN C=C(C)CCn1c(C)c(C)sc1=O 306493903 345367093 /nfs/dbraw/zinc/36/70/93/345367093.db2.gz SVHKVAPRWCJCNQ-UHFFFAOYSA-N 0 0 197.303 2.493 10 30 AEEERN C#CC(=O)Oc1ccc(Cl)cc1C 306494641 345367846 /nfs/dbraw/zinc/36/78/46/345367846.db2.gz PJYWGYDNUYZAPR-UHFFFAOYSA-N 0 0 194.617 2.187 10 30 AEEERN CC#CCNc1sccc1C(C)=O 306496028 345369567 /nfs/dbraw/zinc/36/95/67/345369567.db2.gz REGMHTHSSQPIBQ-UHFFFAOYSA-N 0 0 193.271 2.386 10 30 AEEERN C#CCOc1ccc2cc[nH]c2c1 306496117 345370140 /nfs/dbraw/zinc/37/01/40/345370140.db2.gz XABFWGKFRWBEEO-UHFFFAOYSA-N 0 0 171.199 2.180 10 30 AEEERN C=C(C)CC(=O)N[C@@H]1C=CCCC1 306496103 345370362 /nfs/dbraw/zinc/37/03/62/345370362.db2.gz WWXGACQGUCVQDT-SNVBAGLBSA-N 0 0 179.263 2.178 10 30 AEEERN C=C(C)CC(=O)N[C@H]1C=CCCC1 306496102 345370369 /nfs/dbraw/zinc/37/03/69/345370369.db2.gz WWXGACQGUCVQDT-JTQLQIEISA-N 0 0 179.263 2.178 10 30 AEEERN Cc1cnc(CS)c(C)c1[N+](=O)[O-] 306496924 345371232 /nfs/dbraw/zinc/37/12/32/345371232.db2.gz FPNFQBCCOPNZFC-UHFFFAOYSA-N 0 0 198.247 2.036 10 30 AEEERN N#Cc1cnccc1NC1CC=CC1 306497411 345371604 /nfs/dbraw/zinc/37/16/04/345371604.db2.gz RRUFFHLXPIKXLO-UHFFFAOYSA-N 0 0 185.230 2.084 10 30 AEEERN C#CCNc1cc(C)c(F)cc1C 306497358 345371683 /nfs/dbraw/zinc/37/16/83/345371683.db2.gz FVSPMECBBSFFDY-UHFFFAOYSA-N 0 0 177.222 2.488 10 30 AEEERN C#C[C@H](C)Nc1ccc(C(F)F)cn1 306498349 345372188 /nfs/dbraw/zinc/37/21/88/345372188.db2.gz DVLBPTWCPBIZPI-ZETCQYMHSA-N 0 0 196.200 2.453 10 30 AEEERN C#C[C@@H](C)Nc1ccc(C(F)F)cn1 306498348 345372261 /nfs/dbraw/zinc/37/22/61/345372261.db2.gz DVLBPTWCPBIZPI-SSDOTTSWSA-N 0 0 196.200 2.453 10 30 AEEERN N#CC(C#N)c1nccc2ccsc12 306499790 345373490 /nfs/dbraw/zinc/37/34/90/345373490.db2.gz KSZDUZAERSYRGX-UHFFFAOYSA-N 0 0 199.238 2.427 10 30 AEEERN C[C@@H]1C[C@]2(CCC[C@H](C=O)O2)[C@@H]1C 306500004 345373973 /nfs/dbraw/zinc/37/39/73/345373973.db2.gz XEVGZAAWNNJIHW-GWOFURMSSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@H]1[C@H](C)C[C@]12CCC[C@H](C=O)O2 306500005 345373997 /nfs/dbraw/zinc/37/39/97/345373997.db2.gz XEVGZAAWNNJIHW-LMLFDSFASA-N 0 0 182.263 2.169 10 30 AEEERN CC/C(=N/O)c1cc(F)ccc1O 306500403 345374110 /nfs/dbraw/zinc/37/41/10/345374110.db2.gz XVQZPVMBANASLI-FLIBITNWSA-N 0 0 183.182 2.120 10 30 AEEERN C[C@@H]1C[C@]2(CCC[C@@H](C=O)O2)[C@@H]1C 306500003 345374158 /nfs/dbraw/zinc/37/41/58/345374158.db2.gz XEVGZAAWNNJIHW-CHWFTXMASA-N 0 0 182.263 2.169 10 30 AEEERN C#CC(=O)Nc1cc(F)ccc1Cl 306501276 345375423 /nfs/dbraw/zinc/37/54/23/345375423.db2.gz AACYSWYSRQOBFF-UHFFFAOYSA-N 0 0 197.596 2.051 10 30 AEEERN N#C[C@]1(CC2CCC2)CCOC1 306502319 345376263 /nfs/dbraw/zinc/37/62/63/345376263.db2.gz ATZJLZOBIWJTFS-SNVBAGLBSA-N 0 0 165.236 2.107 10 30 AEEERN C[C@@H](NC1=CC(=O)CCC1)C1CC1 306502391 345376298 /nfs/dbraw/zinc/37/62/98/345376298.db2.gz OOJAGZOCLVRSRC-MRVPVSSYSA-N 0 0 179.263 2.011 10 30 AEEERN N#C[C@@]1(CC2CCC2)CCOC1 306502317 345376329 /nfs/dbraw/zinc/37/63/29/345376329.db2.gz ATZJLZOBIWJTFS-JTQLQIEISA-N 0 0 165.236 2.107 10 30 AEEERN Cc1cc(C2=CCCC2=O)cnc1C 306501973 345376402 /nfs/dbraw/zinc/37/64/02/345376402.db2.gz SSEXAZLLNHYKCA-UHFFFAOYSA-N 0 0 187.242 2.445 10 30 AEEERN C[C@H](NC1=CC(=O)CCC1)C1CC1 306502392 345376549 /nfs/dbraw/zinc/37/65/49/345376549.db2.gz OOJAGZOCLVRSRC-QMMMGPOBSA-N 0 0 179.263 2.011 10 30 AEEERN C=CCCn1ccc(Cl)n1 306502882 345376725 /nfs/dbraw/zinc/37/67/25/345376725.db2.gz HLYYMGPIHZPFDJ-UHFFFAOYSA-N 0 0 156.616 2.113 10 30 AEEERN Cc1cc(C2=CC(=O)CC2)cnc1C 306503581 345377493 /nfs/dbraw/zinc/37/74/93/345377493.db2.gz WQNFXDDOZBQHRN-UHFFFAOYSA-N 0 0 187.242 2.445 10 30 AEEERN C[C@H]1C[C@H](C)CN(C(C)(C)C#N)C1 306508470 345380948 /nfs/dbraw/zinc/38/09/48/345380948.db2.gz AQYPPOLGLRAUBH-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN CC#CCOC(=O)c1occc1Cl 306513987 345384929 /nfs/dbraw/zinc/38/49/29/345384929.db2.gz BIJYBIHOFVWECN-UHFFFAOYSA-N 0 0 198.605 2.113 10 30 AEEERN N#Cc1cnccc1NCCC1CC1 306514617 345385436 /nfs/dbraw/zinc/38/54/36/345385436.db2.gz UXLJTJDETCHOOO-UHFFFAOYSA-N 0 0 187.246 2.165 10 30 AEEERN C=CCN(C)c1ccc(C)c(N)c1 306515153 345385756 /nfs/dbraw/zinc/38/57/56/345385756.db2.gz CMSQHVIRCJYVNL-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN CN[C@H](C#N)C1(C)CCCCC1 306514952 345385859 /nfs/dbraw/zinc/38/58/59/345385859.db2.gz BUUKAQSIFYHEIB-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN C#CCCCn1cc(C)c(C#N)c1 306515120 345386032 /nfs/dbraw/zinc/38/60/32/345386032.db2.gz CJLHXNGTRXPXOY-UHFFFAOYSA-N 0 0 172.231 2.082 10 30 AEEERN CC1([C@H](O)C2(C#N)CC2)CCCC1 306515083 345386044 /nfs/dbraw/zinc/38/60/44/345386044.db2.gz CFSRARCQQUTPJA-VIFPVBQESA-N 0 0 179.263 2.231 10 30 AEEERN CN[C@@H](C#N)C1(C)CCCCC1 306514953 345386097 /nfs/dbraw/zinc/38/60/97/345386097.db2.gz BUUKAQSIFYHEIB-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN CC1([C@@H](O)C2(C#N)CC2)CCCC1 306515081 345386149 /nfs/dbraw/zinc/38/61/49/345386149.db2.gz CFSRARCQQUTPJA-SECBINFHSA-N 0 0 179.263 2.231 10 30 AEEERN C=C[C@H](O)CC(C)(C)SC 306515547 345386407 /nfs/dbraw/zinc/38/64/07/345386407.db2.gz DPUKWEFCVIXPNQ-ZETCQYMHSA-N 0 0 160.282 2.065 10 30 AEEERN C=C[C@@H](O)CC(C)(C)SC 306515546 345386494 /nfs/dbraw/zinc/38/64/94/345386494.db2.gz DPUKWEFCVIXPNQ-SSDOTTSWSA-N 0 0 160.282 2.065 10 30 AEEERN C[C@H](F)CCNc1ccnc(C#N)c1 306517109 345388058 /nfs/dbraw/zinc/38/80/58/345388058.db2.gz ACHGJMRDPSOUHO-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN C[C@@H](F)CCNc1ccnc(C#N)c1 306517103 345388173 /nfs/dbraw/zinc/38/81/73/345388173.db2.gz ACHGJMRDPSOUHO-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)[C@H]1CCC[C@H](CC#N)O1 306517523 345388654 /nfs/dbraw/zinc/38/86/54/345388654.db2.gz AMBPQLRBOOIPOJ-NXEZZACHSA-N 0 0 167.252 2.494 10 30 AEEERN CC(C)[C@H]1CCC[C@@H](CC#N)O1 306517531 345388670 /nfs/dbraw/zinc/38/86/70/345388670.db2.gz AMBPQLRBOOIPOJ-VHSXEESVSA-N 0 0 167.252 2.494 10 30 AEEERN CC(C)[C@@H]1CCC[C@@H](CC#N)O1 306517527 345388960 /nfs/dbraw/zinc/38/89/60/345388960.db2.gz AMBPQLRBOOIPOJ-UWVGGRQHSA-N 0 0 167.252 2.494 10 30 AEEERN C=C([C@@H](O)C(F)(F)F)C(F)(F)F 306518159 345389237 /nfs/dbraw/zinc/38/92/37/345389237.db2.gz BBHKJMSUZSXDKM-GSVOUGTGSA-N 0 0 194.074 2.028 10 30 AEEERN C=C([C@H](O)C(F)(F)F)C(F)(F)F 306518161 345389359 /nfs/dbraw/zinc/38/93/59/345389359.db2.gz BBHKJMSUZSXDKM-VKHMYHEASA-N 0 0 194.074 2.028 10 30 AEEERN C=CCN(C)c1cc(C)ccc1N 306518245 345389879 /nfs/dbraw/zinc/38/98/79/345389879.db2.gz GWDXVQIKVAHDEG-UHFFFAOYSA-N 0 0 176.263 2.199 10 30 AEEERN CCC1(CC)CCC[C@H](C=O)O1 306518722 345390068 /nfs/dbraw/zinc/39/00/68/345390068.db2.gz BWRBTBSQHRJHMQ-SECBINFHSA-N 0 0 170.252 2.313 10 30 AEEERN N#Cc1c(C=O)cccc1C(F)(F)F 306518291 345390078 /nfs/dbraw/zinc/39/00/78/345390078.db2.gz HCKCGYPSDUZZQJ-UHFFFAOYSA-N 0 0 199.131 2.390 10 30 AEEERN CCC1(CC)CCC[C@@H](C=O)O1 306518723 345390126 /nfs/dbraw/zinc/39/01/26/345390126.db2.gz BWRBTBSQHRJHMQ-VIFPVBQESA-N 0 0 170.252 2.313 10 30 AEEERN CC[C@](C)(C#N)[C@@H]1CCC[C@@H]1O 306558567 345434494 /nfs/dbraw/zinc/43/44/94/345434494.db2.gz KOKHILFGQMCXTH-KXUCPTDWSA-N 0 0 167.252 2.087 10 30 AEEERN O=C[C@H]1CC[C@H](c2ccsc2)O1 306520037 345391343 /nfs/dbraw/zinc/39/13/43/345391343.db2.gz DFZSODUCZNLDMH-RKDXNWHRSA-N 0 0 182.244 2.167 10 30 AEEERN O=C[C@@H]1CC[C@H](c2ccsc2)O1 306520035 345391429 /nfs/dbraw/zinc/39/14/29/345391429.db2.gz DFZSODUCZNLDMH-DTWKUNHWSA-N 0 0 182.244 2.167 10 30 AEEERN O=C[C@@H]1CC[C@@H](c2ccsc2)O1 306520036 345391455 /nfs/dbraw/zinc/39/14/55/345391455.db2.gz DFZSODUCZNLDMH-IUCAKERBSA-N 0 0 182.244 2.167 10 30 AEEERN O=C[C@H]1CC[C@@H](c2ccsc2)O1 306520034 345391471 /nfs/dbraw/zinc/39/14/71/345391471.db2.gz DFZSODUCZNLDMH-BDAKNGLRSA-N 0 0 182.244 2.167 10 30 AEEERN C/C=C/c1ccc(N)c(C#N)c1 306521160 345392329 /nfs/dbraw/zinc/39/23/29/345392329.db2.gz FSDPVQAMZGVMIN-NSCUHMNNSA-N 0 0 158.204 2.174 10 30 AEEERN C=C(C)CN(C)c1ccc(F)cc1N 306520986 345392448 /nfs/dbraw/zinc/39/24/48/345392448.db2.gz LYCXUAQGPLYCML-UHFFFAOYSA-N 0 0 194.253 2.420 10 30 AEEERN CCCC[C@](C)(C#N)OC 306521597 345393659 /nfs/dbraw/zinc/39/36/59/345393659.db2.gz NLROOALTCHVHDC-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN CCCC[C@@](C)(C#N)OC 306521598 345393673 /nfs/dbraw/zinc/39/36/73/345393673.db2.gz NLROOALTCHVHDC-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CC#C[C@](O)(CC)[C@@H]1CC1(C)C 306565446 345441636 /nfs/dbraw/zinc/44/16/36/345441636.db2.gz FLBVOUIQRFMXCS-MWLCHTKSSA-N 0 0 166.264 2.197 10 30 AEEERN C=CCN(C)c1cc(F)ccc1N 306522272 345394595 /nfs/dbraw/zinc/39/45/95/345394595.db2.gz PPNGLGLAXGXTTE-UHFFFAOYSA-N 0 0 180.226 2.030 10 30 AEEERN CC1(C)CCCN(C(C)(C)C#N)C1 306523230 345395739 /nfs/dbraw/zinc/39/57/39/345395739.db2.gz NHYJUQJKQALWDY-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C#CCN(CC)c1ccc(N)cc1C 306523598 345396030 /nfs/dbraw/zinc/39/60/30/345396030.db2.gz UBRVAHYJFYOPKP-UHFFFAOYSA-N 0 0 188.274 2.037 10 30 AEEERN Cc1ccsc1[C@H]1CC[C@H](C=O)O1 306526730 345398631 /nfs/dbraw/zinc/39/86/31/345398631.db2.gz VIWWBXMUCOOAPR-RKDXNWHRSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1ccsc1[C@@H]1CC[C@H](C=O)O1 306526727 345398667 /nfs/dbraw/zinc/39/86/67/345398667.db2.gz VIWWBXMUCOOAPR-BDAKNGLRSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1ccsc1[C@H]1CC[C@@H](C=O)O1 306526728 345398845 /nfs/dbraw/zinc/39/88/45/345398845.db2.gz VIWWBXMUCOOAPR-DTWKUNHWSA-N 0 0 196.271 2.476 10 30 AEEERN Cc1ccsc1[C@@H]1CC[C@@H](C=O)O1 306526729 345398886 /nfs/dbraw/zinc/39/88/86/345398886.db2.gz VIWWBXMUCOOAPR-IUCAKERBSA-N 0 0 196.271 2.476 10 30 AEEERN C[C@](C#N)(C1CCC1)N1CCCC1 306531082 345402609 /nfs/dbraw/zinc/40/26/09/345402609.db2.gz HVUVBQAVNJOONK-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN C[C@@](C#N)(C1CCC1)N1CCCC1 306531080 345402756 /nfs/dbraw/zinc/40/27/56/345402756.db2.gz HVUVBQAVNJOONK-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN C#C[C@@H]([NH2+]C)c1csc(Cl)c1 306532365 345404134 /nfs/dbraw/zinc/40/41/34/345404134.db2.gz IYSFFUFHLZXURZ-SSDOTTSWSA-N 0 0 185.679 2.295 10 30 AEEERN C#C[C@H]([NH2+]C)c1csc(Cl)c1 306532370 345404265 /nfs/dbraw/zinc/40/42/65/345404265.db2.gz IYSFFUFHLZXURZ-ZETCQYMHSA-N 0 0 185.679 2.295 10 30 AEEERN CC(C)[C@@H](C)C(=O)C1=COCC1 306533214 345405067 /nfs/dbraw/zinc/40/50/67/345405067.db2.gz NFKJZERKRVIBFR-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN CC(C)[C@H](C)C(=O)C1=COCC1 306533215 345405162 /nfs/dbraw/zinc/40/51/62/345405162.db2.gz NFKJZERKRVIBFR-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN C[C@H](CC#N)NN=C1CCCCC1 306534953 345407477 /nfs/dbraw/zinc/40/74/77/345407477.db2.gz JHDJUEOMQAEPQI-SECBINFHSA-N 0 0 179.267 2.198 10 30 AEEERN C[C@@H](CC#N)NN=C1CCCCC1 306534954 345407625 /nfs/dbraw/zinc/40/76/25/345407625.db2.gz JHDJUEOMQAEPQI-VIFPVBQESA-N 0 0 179.267 2.198 10 30 AEEERN C=C/C=C/C1=C(C)C(=O)CC1 306535076 345407990 /nfs/dbraw/zinc/40/79/90/345407990.db2.gz LRTYDYVFEWJVLC-SNAWJCMRSA-N 0 0 148.205 2.408 10 30 AEEERN O=C1C=C(N2CCC3(CCC3)C2)CC1 306535250 345407996 /nfs/dbraw/zinc/40/79/96/345407996.db2.gz FTNSHLADPMTVCW-UHFFFAOYSA-N 0 0 191.274 2.109 10 30 AEEERN CC=CC(=O)c1cc(C)ns1 306536928 345410224 /nfs/dbraw/zinc/41/02/24/345410224.db2.gz IDROSMHYLYNZDL-UHFFFAOYSA-N 0 0 167.233 2.210 10 30 AEEERN C[C@@H]1CC[C@](O)(C2(C#N)CC2)[C@H](C)C1 306537583 345410464 /nfs/dbraw/zinc/41/04/64/345410464.db2.gz LMXBMSKTKQSGCV-CKYFFXLPSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@]1(O)C1(C#N)CC1 306537589 345410528 /nfs/dbraw/zinc/41/05/28/345410528.db2.gz LMXBMSKTKQSGCV-JFGNBEQYSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@@H]1CC[C@@](O)(C2(C#N)CC2)[C@H](C)C1 306537586 345410543 /nfs/dbraw/zinc/41/05/43/345410543.db2.gz LMXBMSKTKQSGCV-FOGDFJRCSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@H]1C[C@H](C)CC[C@@]1(O)C1(C#N)CC1 306537591 345410665 /nfs/dbraw/zinc/41/06/65/345410665.db2.gz LMXBMSKTKQSGCV-SCVCMEIPSA-N 0 0 193.290 2.477 10 30 AEEERN O=[N+]([O-])c1ccc(F)cc1CS 306538853 345412917 /nfs/dbraw/zinc/41/29/17/345412917.db2.gz UCYKSQQAJQDPFB-UHFFFAOYSA-N 0 0 187.195 2.164 10 30 AEEERN CC[C@@]1(C(C)C)CC[C@H](C=O)O1 306539186 345413168 /nfs/dbraw/zinc/41/31/68/345413168.db2.gz URUGFJPPMSDKHW-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@@]1(C(C)C)CC[C@@H](C=O)O1 306539182 345413184 /nfs/dbraw/zinc/41/31/84/345413184.db2.gz URUGFJPPMSDKHW-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@]1(C(C)C)CC[C@H](C=O)O1 306539180 345413321 /nfs/dbraw/zinc/41/33/21/345413321.db2.gz URUGFJPPMSDKHW-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@]1(C(C)C)CC[C@@H](C=O)O1 306539184 345413325 /nfs/dbraw/zinc/41/33/25/345413325.db2.gz URUGFJPPMSDKHW-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)(C#N)N1CCCC[C@@H](F)C1 306540241 345414253 /nfs/dbraw/zinc/41/42/53/345414253.db2.gz OMUDORGFIWUDJC-SECBINFHSA-N 0 0 184.258 2.113 10 30 AEEERN CC(C)(C#N)N1CCCC[C@H](F)C1 306540242 345414424 /nfs/dbraw/zinc/41/44/24/345414424.db2.gz OMUDORGFIWUDJC-VIFPVBQESA-N 0 0 184.258 2.113 10 30 AEEERN C#C[C@]1(O)C[C@@H](C)c2ccccc21 306540403 345414534 /nfs/dbraw/zinc/41/45/34/345414534.db2.gz WEGUJANIYLBBQX-SKDRFNHKSA-N 0 0 172.227 2.015 10 30 AEEERN C/C=C/C(=O)CC1CC=CC1 306540466 345414637 /nfs/dbraw/zinc/41/46/37/345414637.db2.gz RRANRWPFXHYWME-GORDUTHDSA-N 0 0 150.221 2.488 10 30 AEEERN C#C[C@]1(O)C[C@H](C)c2ccccc21 306540401 345414718 /nfs/dbraw/zinc/41/47/18/345414718.db2.gz WEGUJANIYLBBQX-CABZTGNLSA-N 0 0 172.227 2.015 10 30 AEEERN C#C[C@@]1(O)C[C@H](C)c2ccccc21 306540402 345414809 /nfs/dbraw/zinc/41/48/09/345414809.db2.gz WEGUJANIYLBBQX-JOYOIKCWSA-N 0 0 172.227 2.015 10 30 AEEERN C#C[C@@]1(O)C[C@@H](C)c2ccccc21 306540400 345414906 /nfs/dbraw/zinc/41/49/06/345414906.db2.gz WEGUJANIYLBBQX-BXKDBHETSA-N 0 0 172.227 2.015 10 30 AEEERN O=C[C@@H]1CCCC2(CCCC2)O1 306542158 345415920 /nfs/dbraw/zinc/41/59/20/345415920.db2.gz YRPNDJDMRCYCNV-VIFPVBQESA-N 0 0 168.236 2.067 10 30 AEEERN O=C[C@H]1CCCC2(CCCC2)O1 306542157 345416173 /nfs/dbraw/zinc/41/61/73/345416173.db2.gz YRPNDJDMRCYCNV-SECBINFHSA-N 0 0 168.236 2.067 10 30 AEEERN CCCC[C@]1(C#N)CCCCN1 306542466 345416636 /nfs/dbraw/zinc/41/66/36/345416636.db2.gz YYPKHXSQMBJEFD-SNVBAGLBSA-N 0 0 166.268 2.212 10 30 AEEERN CCCC[C@@]1(C#N)CCCCN1 306542465 345416873 /nfs/dbraw/zinc/41/68/73/345416873.db2.gz YYPKHXSQMBJEFD-JTQLQIEISA-N 0 0 166.268 2.212 10 30 AEEERN CC(C)(C#N)CCn1ccc(Cl)n1 306543183 345417146 /nfs/dbraw/zinc/41/71/46/345417146.db2.gz RUQUUWWOMAUSAW-UHFFFAOYSA-N 0 0 197.669 2.476 10 30 AEEERN N#Cc1cc(F)cc(NCCCF)c1 306543668 345417762 /nfs/dbraw/zinc/41/77/62/345417762.db2.gz STONYGCIWURWJZ-UHFFFAOYSA-N 0 0 196.200 2.469 10 30 AEEERN Cc1cc(N=[N+]=[N-])cc(C#N)n1 306544460 345418753 /nfs/dbraw/zinc/41/87/53/345418753.db2.gz YDRVMXUYTADNNA-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN N#Cc1c(F)cccc1C(=O)C1CC1 306544886 345419436 /nfs/dbraw/zinc/41/94/36/345419436.db2.gz ZNPGYCSMOBGILD-UHFFFAOYSA-N 0 0 189.189 2.290 10 30 AEEERN CC[C@@H](C#N)N1CC(C(C)(C)C)C1 306545769 345419781 /nfs/dbraw/zinc/41/97/81/345419781.db2.gz GBVDHDDDILZGCD-JTQLQIEISA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@H](C#N)N1CC(C(C)(C)C)C1 306545777 345420002 /nfs/dbraw/zinc/42/00/02/345420002.db2.gz GBVDHDDDILZGCD-SNVBAGLBSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@@H]1C[C@H]1C(=O)C1=CCCCO1 306546710 345421413 /nfs/dbraw/zinc/42/14/13/345421413.db2.gz BWQDDBUKISAOJM-RKDXNWHRSA-N 0 0 180.247 2.296 10 30 AEEERN CC(=O)/C=C1/CCC1(C)C 306547075 345421613 /nfs/dbraw/zinc/42/16/13/345421613.db2.gz DROFWZKUEQIMAP-VURMDHGXSA-N 0 0 138.210 2.322 10 30 AEEERN CC(C)CN=Nc1ccc(Cl)nn1 306547004 345421528 /nfs/dbraw/zinc/42/15/28/345421528.db2.gz WWVYSKMZXTZHJP-BJMVGYQFSA-N 0 0 198.657 2.184 10 30 AEEERN Cc1cc(CC[C@H]2CO2)cs1 306547359 345422164 /nfs/dbraw/zinc/42/21/64/345422164.db2.gz CGHYKTUHIFWDBL-VIFPVBQESA-N 0 0 168.261 2.388 10 30 AEEERN C[C@@](O)(c1ccsc1)C1(C#N)CC1 306547347 345422049 /nfs/dbraw/zinc/42/20/49/345422049.db2.gz CEUGMFSFXJGZIP-SECBINFHSA-N 0 0 193.271 2.259 10 30 AEEERN C[C@](O)(c1ccsc1)C1(C#N)CC1 306547348 345422074 /nfs/dbraw/zinc/42/20/74/345422074.db2.gz CEUGMFSFXJGZIP-VIFPVBQESA-N 0 0 193.271 2.259 10 30 AEEERN Cc1cc(CC[C@@H]2CO2)cs1 306547358 345422137 /nfs/dbraw/zinc/42/21/37/345422137.db2.gz CGHYKTUHIFWDBL-SECBINFHSA-N 0 0 168.261 2.388 10 30 AEEERN CC1(C)C[C@@H]1[C@@]1(C)CC[C@H](C=O)O1 306548452 345422891 /nfs/dbraw/zinc/42/28/91/345422891.db2.gz BQECMRSQUFMDBT-WCABBAIRSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@@H]1[C@@]1(C)CC[C@@H](C=O)O1 306548449 345422945 /nfs/dbraw/zinc/42/29/45/345422945.db2.gz BQECMRSQUFMDBT-ATZCPNFKSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@@H]1[C@]1(C)CC[C@H](C=O)O1 306548453 345423086 /nfs/dbraw/zinc/42/30/86/345423086.db2.gz BQECMRSQUFMDBT-YWVKMMECSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@@H]1[C@]1(C)CC[C@@H](C=O)O1 306548450 345423197 /nfs/dbraw/zinc/42/31/97/345423197.db2.gz BQECMRSQUFMDBT-QXEWZRGKSA-N 0 0 182.263 2.169 10 30 AEEERN CCc1ccc([C@@H]2CC[C@@H](C=O)O2)o1 306548626 345423458 /nfs/dbraw/zinc/42/34/58/345423458.db2.gz CVYYWQGLQOBYOH-ONGXEEELSA-N 0 0 194.230 2.261 10 30 AEEERN CCc1ccc([C@H]2CC[C@H](C=O)O2)o1 306548624 345423464 /nfs/dbraw/zinc/42/34/64/345423464.db2.gz CVYYWQGLQOBYOH-MWLCHTKSSA-N 0 0 194.230 2.261 10 30 AEEERN CCc1ccc([C@@H]2CC[C@H](C=O)O2)o1 306548622 345423609 /nfs/dbraw/zinc/42/36/09/345423609.db2.gz CVYYWQGLQOBYOH-KOLCDFICSA-N 0 0 194.230 2.261 10 30 AEEERN CCc1ccc([C@H]2CC[C@@H](C=O)O2)o1 306548620 345423703 /nfs/dbraw/zinc/42/37/03/345423703.db2.gz CVYYWQGLQOBYOH-GXSJLCMTSA-N 0 0 194.230 2.261 10 30 AEEERN CC(C)[C@H](C)C[C@H]1CO1 306551291 345426358 /nfs/dbraw/zinc/42/63/58/345426358.db2.gz AOWKEQVRRFKWEX-SFYZADRCSA-N 0 0 128.215 2.067 10 30 AEEERN C#CCOc1ccc(F)c(F)c1F 306551269 345426472 /nfs/dbraw/zinc/42/64/72/345426472.db2.gz HXLNVSRDBFLFJM-UHFFFAOYSA-N 0 0 186.132 2.116 10 30 AEEERN CC(C)[C@@H](C)C[C@@H]1CO1 306551288 345426562 /nfs/dbraw/zinc/42/65/62/345426562.db2.gz AOWKEQVRRFKWEX-JGVFFNPUSA-N 0 0 128.215 2.067 10 30 AEEERN CC(C)[C@H](C)C[C@@H]1CO1 306551286 345426563 /nfs/dbraw/zinc/42/65/63/345426563.db2.gz AOWKEQVRRFKWEX-HTQZYQBOSA-N 0 0 128.215 2.067 10 30 AEEERN CC(C)[C@@H](C)C[C@H]1CO1 306551293 345426618 /nfs/dbraw/zinc/42/66/18/345426618.db2.gz AOWKEQVRRFKWEX-YUMQZZPRSA-N 0 0 128.215 2.067 10 30 AEEERN CC1CC(Nc2ccncc2C#N)C1 306551617 345427104 /nfs/dbraw/zinc/42/71/04/345427104.db2.gz FYTIETCAIQHHRJ-UHFFFAOYSA-N 0 0 187.246 2.164 10 30 AEEERN Cc1cc(F)cc(CC#N)c1[N+](=O)[O-] 306551598 345427274 /nfs/dbraw/zinc/42/72/74/345427274.db2.gz ANWSSKRHNCJVIJ-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN Cc1ccn(C[C@@H](C#N)C(C)(C)C)n1 306555910 345431531 /nfs/dbraw/zinc/43/15/31/345431531.db2.gz FMJKVRUMYUXRHP-SNVBAGLBSA-N 0 0 191.278 2.377 10 30 AEEERN CCOc1cccnc1C(C)(C)C#N 306556385 345431643 /nfs/dbraw/zinc/43/16/43/345431643.db2.gz ICZAOUPNGWLAOR-UHFFFAOYSA-N 0 0 190.246 2.281 10 30 AEEERN Cc1ccn(C[C@H](C#N)C(C)(C)C)n1 306555908 345431744 /nfs/dbraw/zinc/43/17/44/345431744.db2.gz FMJKVRUMYUXRHP-JTQLQIEISA-N 0 0 191.278 2.377 10 30 AEEERN CCOc1cc(F)c(C#N)cc1OC 306556127 345431799 /nfs/dbraw/zinc/43/17/99/345431799.db2.gz MKOZBTQNPDKPHR-UHFFFAOYSA-N 0 0 195.193 2.105 10 30 AEEERN CCC(C#N)(CC)N1CCCCC1=O 306556598 345432115 /nfs/dbraw/zinc/43/21/15/345432115.db2.gz MWFDWTOOEBKZDJ-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN C#CCSCC1CCC1 306557090 345432844 /nfs/dbraw/zinc/43/28/44/345432844.db2.gz MNSMKIRKHQBYIL-UHFFFAOYSA-N 0 0 140.251 2.153 10 30 AEEERN C=C(C(=O)C(C)(C)F)C(F)(F)F 306557816 345433463 /nfs/dbraw/zinc/43/34/63/345433463.db2.gz JLQPOYMSZDVKBZ-UHFFFAOYSA-N 0 0 184.132 2.422 10 30 AEEERN CC[C@](C)(C#N)[C@H]1CCC[C@H]1O 306558566 345434398 /nfs/dbraw/zinc/43/43/98/345434398.db2.gz KOKHILFGQMCXTH-IVZWLZJFSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@@H]1CCC[C@H]1O 306558569 345434472 /nfs/dbraw/zinc/43/44/72/345434472.db2.gz KOKHILFGQMCXTH-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@H]1CCC[C@@H]1O 306558568 345434557 /nfs/dbraw/zinc/43/45/57/345434557.db2.gz KOKHILFGQMCXTH-LPEHRKFASA-N 0 0 167.252 2.087 10 30 AEEERN N#C[C@@H]1CCCN(CC2=CCCC2)C1 306559511 345435354 /nfs/dbraw/zinc/43/53/54/345435354.db2.gz ANIXFLSJRBUYEC-LBPRGKRZSA-N 0 0 190.290 2.332 10 30 AEEERN N#C[C@H]1CCCN(CC2=CCCC2)C1 306559510 345435433 /nfs/dbraw/zinc/43/54/33/345435433.db2.gz ANIXFLSJRBUYEC-GFCCVEGCSA-N 0 0 190.290 2.332 10 30 AEEERN C=CCCC(=O)C(C)(F)F 306562193 345437950 /nfs/dbraw/zinc/43/79/50/345437950.db2.gz CDGFUJNPLSYYAW-UHFFFAOYSA-N 0 0 148.152 2.177 10 30 AEEERN C=CCS[C@@](C)(CC)CO 306564045 345440088 /nfs/dbraw/zinc/44/00/88/345440088.db2.gz WHPWXCHYIGKQIQ-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN C=CCS[C@](C)(CC)CO 306564044 345440274 /nfs/dbraw/zinc/44/02/74/345440274.db2.gz WHPWXCHYIGKQIQ-MRVPVSSYSA-N 0 0 160.282 2.067 10 30 AEEERN N#Cc1cccn1CC1=CCCC1 306564143 345440278 /nfs/dbraw/zinc/44/02/78/345440278.db2.gz DPIHPXUMTXIWIK-UHFFFAOYSA-N 0 0 172.231 2.470 10 30 AEEERN N#C[C@@]1(C2CCOCC2)CCCS1 306564845 345441035 /nfs/dbraw/zinc/44/10/35/345441035.db2.gz XBODLSMLJPKWNU-SNVBAGLBSA-N 0 0 197.303 2.202 10 30 AEEERN N#C[C@]1(C2CCOCC2)CCCS1 306564844 345441280 /nfs/dbraw/zinc/44/12/80/345441280.db2.gz XBODLSMLJPKWNU-JTQLQIEISA-N 0 0 197.303 2.202 10 30 AEEERN CC#C[C@@](O)(CC)[C@H]1CC1(C)C 306565447 345441795 /nfs/dbraw/zinc/44/17/95/345441795.db2.gz FLBVOUIQRFMXCS-ONGXEEELSA-N 0 0 166.264 2.197 10 30 AEEERN CC#C[C@@](O)(CC)[C@@H]1CC1(C)C 306565445 345441852 /nfs/dbraw/zinc/44/18/52/345441852.db2.gz FLBVOUIQRFMXCS-KOLCDFICSA-N 0 0 166.264 2.197 10 30 AEEERN CC#C[C@](O)(CC)[C@H]1CC1(C)C 306565444 345441935 /nfs/dbraw/zinc/44/19/35/345441935.db2.gz FLBVOUIQRFMXCS-GXSJLCMTSA-N 0 0 166.264 2.197 10 30 AEEERN C=CC(=O)c1cc(F)c(F)c(OC)c1 306567202 345443399 /nfs/dbraw/zinc/44/33/99/345443399.db2.gz ZNOQWBOEQXWMRK-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN CC[C@H]1CC(=O)C=C(NC2CC2)C1 306569085 345445984 /nfs/dbraw/zinc/44/59/84/345445984.db2.gz KKRIEHXHDFDKNT-MRVPVSSYSA-N 0 0 179.263 2.011 10 30 AEEERN CC[C@@H]1CC(=O)C=C(NC2CC2)C1 306569086 345446115 /nfs/dbraw/zinc/44/61/15/345446115.db2.gz KKRIEHXHDFDKNT-QMMMGPOBSA-N 0 0 179.263 2.011 10 30 AEEERN C[C@H]1CCN(C(C)(C)C#N)CCS1 306571917 345449223 /nfs/dbraw/zinc/44/92/23/345449223.db2.gz OKNBCQMXYCXEHG-VIFPVBQESA-N 0 0 198.335 2.116 10 30 AEEERN Cc1ccnn1C[C@@H](C#N)C(C)(C)C 306572553 345449643 /nfs/dbraw/zinc/44/96/43/345449643.db2.gz GXCKXFUICZBZDK-SNVBAGLBSA-N 0 0 191.278 2.377 10 30 AEEERN Cc1ccnn1C[C@H](C#N)C(C)(C)C 306572552 345449802 /nfs/dbraw/zinc/44/98/02/345449802.db2.gz GXCKXFUICZBZDK-JTQLQIEISA-N 0 0 191.278 2.377 10 30 AEEERN CO/N=C(/C)c1cc(C)ccc1O 306573274 345450237 /nfs/dbraw/zinc/45/02/37/345450237.db2.gz QHVIPCIVLOUZLE-FLIBITNWSA-N 0 0 179.219 2.071 10 30 AEEERN Cc1ccc(C2CC(=NN)C2)cc1 306573441 345450826 /nfs/dbraw/zinc/45/08/26/345450826.db2.gz IDZCFAFJGBJVBY-UHFFFAOYSA-N 0 0 174.247 2.187 10 30 AEEERN C/C(=C/N(C)C)C(=O)[C@@H]1CC1(C)C 306574167 345450971 /nfs/dbraw/zinc/45/09/71/345450971.db2.gz HZXSHNHVTUZWJD-FUOZMLNRSA-N 0 0 181.279 2.067 10 30 AEEERN C/C(=C/N(C)C)C(=O)[C@H]1CC1(C)C 306574169 345451498 /nfs/dbraw/zinc/45/14/98/345451498.db2.gz HZXSHNHVTUZWJD-UFGYOYAJSA-N 0 0 181.279 2.067 10 30 AEEERN CC#C[C@@H](O)c1ccc(C)c(F)c1 306574857 345451937 /nfs/dbraw/zinc/45/19/37/345451937.db2.gz RSVVUMDVPWEESP-LLVKDONJSA-N 0 0 178.206 2.191 10 30 AEEERN CC(C)=CC(=O)c1ccns1 306574499 345451998 /nfs/dbraw/zinc/45/19/98/345451998.db2.gz ILBCVWWVPCUCPI-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN CC#C[C@H](O)c1ccc(C)c(F)c1 306574858 345452087 /nfs/dbraw/zinc/45/20/87/345452087.db2.gz RSVVUMDVPWEESP-NSHDSACASA-N 0 0 178.206 2.191 10 30 AEEERN Cc1ncn(C[C@@H](C#N)C(C)C)c1C 306575205 345452427 /nfs/dbraw/zinc/45/24/27/345452427.db2.gz JAMFQOAJOCECQX-LLVKDONJSA-N 0 0 191.278 2.296 10 30 AEEERN Cc1ncn(C[C@H](C#N)C(C)C)c1C 306575206 345452487 /nfs/dbraw/zinc/45/24/87/345452487.db2.gz JAMFQOAJOCECQX-NSHDSACASA-N 0 0 191.278 2.296 10 30 AEEERN C#C[C@@H](C)N[C@H]1CCCCC1(F)F 306578519 345455698 /nfs/dbraw/zinc/45/56/98/345455698.db2.gz MGRAGOKADJEQIN-BDAKNGLRSA-N 0 0 187.233 2.176 10 30 AEEERN C#C[C@H](C)N[C@H]1CCCCC1(F)F 306578521 345455703 /nfs/dbraw/zinc/45/57/03/345455703.db2.gz MGRAGOKADJEQIN-IUCAKERBSA-N 0 0 187.233 2.176 10 30 AEEERN CCCSc1ccncc1C#N 306578202 345455747 /nfs/dbraw/zinc/45/57/47/345455747.db2.gz LZCSAWMYSJVMOO-UHFFFAOYSA-N 0 0 178.260 2.455 10 30 AEEERN C#C[C@@H](C)N[C@@H]1CCCCC1(F)F 306578522 345455778 /nfs/dbraw/zinc/45/57/78/345455778.db2.gz MGRAGOKADJEQIN-RKDXNWHRSA-N 0 0 187.233 2.176 10 30 AEEERN C#C[C@H](C)N[C@@H]1CCCCC1(F)F 306578520 345455853 /nfs/dbraw/zinc/45/58/53/345455853.db2.gz MGRAGOKADJEQIN-DTWKUNHWSA-N 0 0 187.233 2.176 10 30 AEEERN CC#CCCN[C@@H]1CCCC1(F)F 306579040 345456151 /nfs/dbraw/zinc/45/61/51/345456151.db2.gz MQRBPAYFNINPAM-SECBINFHSA-N 0 0 187.233 2.177 10 30 AEEERN CC#CCCN[C@H]1CCCC1(F)F 306579041 345456418 /nfs/dbraw/zinc/45/64/18/345456418.db2.gz MQRBPAYFNINPAM-VIFPVBQESA-N 0 0 187.233 2.177 10 30 AEEERN N#CC1(CC[C@H]2CCOC2)CC1 306583294 345460385 /nfs/dbraw/zinc/46/03/85/345460385.db2.gz PQLZSRDDLNCJEE-VIFPVBQESA-N 0 0 165.236 2.107 10 30 AEEERN N#CC1(CC[C@@H]2CCOC2)CC1 306583293 345460643 /nfs/dbraw/zinc/46/06/43/345460643.db2.gz PQLZSRDDLNCJEE-SECBINFHSA-N 0 0 165.236 2.107 10 30 AEEERN CCCOc1cc(C#N)c(N)cc1C 306583995 345460885 /nfs/dbraw/zinc/46/08/85/345460885.db2.gz FQMNQTRTXSZVKK-UHFFFAOYSA-N 0 0 190.246 2.238 10 30 AEEERN Cc1cc(C)n(C[C@@H](C#N)C(C)C)n1 306584324 345461630 /nfs/dbraw/zinc/46/16/30/345461630.db2.gz RPFJONAPVHAEIL-LLVKDONJSA-N 0 0 191.278 2.296 10 30 AEEERN CCC1(Nc2cc(C#N)ccn2)CC1 306585012 345462301 /nfs/dbraw/zinc/46/23/01/345462301.db2.gz HDPZAVUNWLSWRX-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN N#C[C@@H]1CCCN1CC1=CCCC1 306586114 345463122 /nfs/dbraw/zinc/46/31/22/345463122.db2.gz RCOPBZBDIRPRRM-NSHDSACASA-N 0 0 176.263 2.085 10 30 AEEERN N#C[C@H]1CCCN1CC1=CCCC1 306586113 345463273 /nfs/dbraw/zinc/46/32/73/345463273.db2.gz RCOPBZBDIRPRRM-LLVKDONJSA-N 0 0 176.263 2.085 10 30 AEEERN CC1(C)CCCC[C@]1(O)CCC=O 306593498 345470728 /nfs/dbraw/zinc/47/07/28/345470728.db2.gz DFVREXYCSXBPBM-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN CC1(C)CCCC[C@@]1(O)CCC=O 306593497 345470940 /nfs/dbraw/zinc/47/09/40/345470940.db2.gz DFVREXYCSXBPBM-LLVKDONJSA-N 0 0 184.279 2.297 10 30 AEEERN CC(C)=CCCNC1=CC(=O)CC1 306596030 345472167 /nfs/dbraw/zinc/47/21/67/345472167.db2.gz YJNDHARMJPDFOO-UHFFFAOYSA-N 0 0 179.263 2.179 10 30 AEEERN CC(=O)/C=C1\C[C@H](C)[C@H]1C 306596322 345472893 /nfs/dbraw/zinc/47/28/93/345472893.db2.gz VAHSXOHBKYINQW-SPPRUNBGSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(F)c(CC#N)c1[N+](=O)[O-] 306596876 345473383 /nfs/dbraw/zinc/47/33/83/345473383.db2.gz NFILZQGNDGDEAP-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CCC1(Nc2ccc(C#N)nc2)CC1 306597427 345473776 /nfs/dbraw/zinc/47/37/76/345473776.db2.gz OJJXOJGCTJJRGA-UHFFFAOYSA-N 0 0 187.246 2.308 10 30 AEEERN Cc1ccc([N+](=O)[O-])c(CC#N)c1F 306598627 345475430 /nfs/dbraw/zinc/47/54/30/345475430.db2.gz QBUMWAZQKMLVND-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CC#C[C@@](C)(O)Cc1ccc(F)cc1 306599261 345475629 /nfs/dbraw/zinc/47/56/29/345475629.db2.gz RADRJXHNQSQYTB-GFCCVEGCSA-N 0 0 192.233 2.143 10 30 AEEERN N#C[C@]1(C/C=C/Cl)CCOC1 306599433 345475685 /nfs/dbraw/zinc/47/56/85/345475685.db2.gz HHVVEOOZBDNALS-WTJMVXMFSA-N 0 0 171.627 2.059 10 30 AEEERN CC#C[C@](C)(O)Cc1ccc(F)cc1 306599262 345475804 /nfs/dbraw/zinc/47/58/04/345475804.db2.gz RADRJXHNQSQYTB-LBPRGKRZSA-N 0 0 192.233 2.143 10 30 AEEERN N#C[C@@]1(C/C=C/Cl)CCOC1 306599434 345476013 /nfs/dbraw/zinc/47/60/13/345476013.db2.gz HHVVEOOZBDNALS-YKXFLQSUSA-N 0 0 171.627 2.059 10 30 AEEERN Cc1cncc(C#N)c1C(F)(F)F 306599726 345476441 /nfs/dbraw/zinc/47/64/41/345476441.db2.gz HXRLHEZQXZQJBF-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN CCN(C)N=C1CC(C(C)C)C1 306602399 345478212 /nfs/dbraw/zinc/47/82/12/345478212.db2.gz LJBRNAMGQSRINQ-UHFFFAOYSA-N 0 0 168.284 2.360 10 30 AEEERN NN=C1CCC2(CCCC2)CC1 306603351 345479115 /nfs/dbraw/zinc/47/91/15/345479115.db2.gz MJMJGLGIURRGIQ-UHFFFAOYSA-N 0 0 166.268 2.436 10 30 AEEERN CC(=O)/C(C)=C/c1c(Cl)cnn1C 306603912 345479611 /nfs/dbraw/zinc/47/96/11/345479611.db2.gz YCNHUWABWHRURP-GQCTYLIASA-N 0 0 198.653 2.066 10 30 AEEERN N#Cc1cc(CC2CC2)sc1N 306603899 345479639 /nfs/dbraw/zinc/47/96/39/345479639.db2.gz YBEKZLIWXCGYRP-UHFFFAOYSA-N 0 0 178.260 2.154 10 30 AEEERN [N-]=[N+]=Nc1cnc(Cl)cn1 306608421 345482908 /nfs/dbraw/zinc/48/29/08/345482908.db2.gz JFKPRTUUOGMTGI-UHFFFAOYSA-N 0 0 155.548 2.072 10 30 AEEERN N#Cc1cc(N)c(Cl)c(Cl)c1 306609544 345484003 /nfs/dbraw/zinc/48/40/03/345484003.db2.gz YPTPNGOQVZXLRZ-UHFFFAOYSA-N 0 0 187.029 2.447 10 30 AEEERN CC#CCSc1nnc(C2CC2)o1 306610765 345484502 /nfs/dbraw/zinc/48/45/02/345484502.db2.gz FJLLMIMLKWMDLP-UHFFFAOYSA-N 0 0 194.259 2.062 10 30 AEEERN CC#C[C@H](O)c1sccc1Cl 306611007 345485016 /nfs/dbraw/zinc/48/50/16/345485016.db2.gz FSBRIMHQLOLKJX-ZETCQYMHSA-N 0 0 186.663 2.458 10 30 AEEERN CC#C[C@@H](O)c1sccc1Cl 306611006 345485270 /nfs/dbraw/zinc/48/52/70/345485270.db2.gz FSBRIMHQLOLKJX-SSDOTTSWSA-N 0 0 186.663 2.458 10 30 AEEERN CC(=O)c1cc(F)c(C#N)c(F)c1 306610907 345485282 /nfs/dbraw/zinc/48/52/82/345485282.db2.gz FNJIRKJYCKEXLQ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN C#Cc1nnc(-c2ccccc2)s1 306611280 345485575 /nfs/dbraw/zinc/48/55/75/345485575.db2.gz FYYOZRJNCUMABP-UHFFFAOYSA-N 0 0 186.239 2.186 10 30 AEEERN CC[C@H]1CC[C@@H](C)[N@H+](CCC#N)C1 306612180 345486125 /nfs/dbraw/zinc/48/61/25/345486125.db2.gz IAASXCRTFVOEEP-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC#C[C@]1(O)CCCC(C)(C)C1 306613947 345487413 /nfs/dbraw/zinc/48/74/13/345487413.db2.gz LNLIOXYYFHRCFJ-NSHDSACASA-N 0 0 166.264 2.341 10 30 AEEERN C=CC(=O)c1c(F)ccc(F)c1OC 306614304 345487551 /nfs/dbraw/zinc/48/75/51/345487551.db2.gz LVNMSNUUZUXTBS-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN N#Cc1cc(F)ncc1C(F)(F)F 306613915 345487554 /nfs/dbraw/zinc/48/75/54/345487554.db2.gz LKBPRULHSQWEDT-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN CC#C[C@@]1(O)CCCC(C)(C)C1 306613946 345487569 /nfs/dbraw/zinc/48/75/69/345487569.db2.gz LNLIOXYYFHRCFJ-LLVKDONJSA-N 0 0 166.264 2.341 10 30 AEEERN Cc1cc(C[C@@H](C)C=O)cnc1C 306615180 345488696 /nfs/dbraw/zinc/48/86/96/345488696.db2.gz MYGTUBBPVQRKQV-MRVPVSSYSA-N 0 0 177.247 2.076 10 30 AEEERN C/C=C/CCNc1ccncc1C#N 306615353 345488805 /nfs/dbraw/zinc/48/88/05/345488805.db2.gz NGYWUOLSOCCPHU-NSCUHMNNSA-N 0 0 187.246 2.331 10 30 AEEERN Cc1cc(C[C@H](C)C=O)cnc1C 306615183 345488823 /nfs/dbraw/zinc/48/88/23/345488823.db2.gz MYGTUBBPVQRKQV-QMMMGPOBSA-N 0 0 177.247 2.076 10 30 AEEERN CC(C)=CC(=O)c1coc(C)n1 306616452 345489861 /nfs/dbraw/zinc/48/98/61/345489861.db2.gz OWFASENBGUBHAT-UHFFFAOYSA-N 0 0 165.192 2.132 10 30 AEEERN C[C@@H](CC=O)C1CCC1 306616012 345489900 /nfs/dbraw/zinc/48/99/00/345489900.db2.gz PQWIPGHCJSIYPN-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN CC#CCCN1CCC[C@@H]1C(F)F 306616740 345490727 /nfs/dbraw/zinc/49/07/27/345490727.db2.gz PGWAYMJMSWULKR-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN N#Cc1ccc(NC2CSC2)cc1 306619045 345491610 /nfs/dbraw/zinc/49/16/10/345491610.db2.gz SSKHPEQJBIQISD-UHFFFAOYSA-N 0 0 190.271 2.086 10 30 AEEERN C[C@@H]1CCCC[C@H]1[C@@H]1CO1 306619355 345492218 /nfs/dbraw/zinc/49/22/18/345492218.db2.gz UWFOEFQFOCFROI-HLTSFMKQSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCCC[C@H]1[C@H]1CO1 306619357 345492266 /nfs/dbraw/zinc/49/22/66/345492266.db2.gz UWFOEFQFOCFROI-IWSPIJDZSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCCC[C@@H]1[C@@H]1CO1 306619358 345492340 /nfs/dbraw/zinc/49/23/40/345492340.db2.gz UWFOEFQFOCFROI-VGMNWLOBSA-N 0 0 140.226 2.212 10 30 AEEERN C[C@@H]1CCCC[C@@H]1[C@H]1CO1 306619356 345492363 /nfs/dbraw/zinc/49/23/63/345492363.db2.gz UWFOEFQFOCFROI-HRDYMLBCSA-N 0 0 140.226 2.212 10 30 AEEERN CC#CCSCc1cc(C)no1 306623707 345495344 /nfs/dbraw/zinc/49/53/44/345495344.db2.gz DUJLLCPPMZRXGO-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN Cc1c(F)ccc([N+](=O)[O-])c1CC#N 306623347 345495566 /nfs/dbraw/zinc/49/55/66/345495566.db2.gz BIIDIATYFJXBKR-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C=CCSCCCOCC 306626324 345498243 /nfs/dbraw/zinc/49/82/43/345498243.db2.gz HZMSBOPCYZQXHE-UHFFFAOYSA-N 0 0 160.282 2.332 10 30 AEEERN N#CC1(C[C@@H](O)CF)CCCCC1 306626765 345498316 /nfs/dbraw/zinc/49/83/16/345498316.db2.gz IGCYFRFRSSJKDD-SECBINFHSA-N 0 0 185.242 2.181 10 30 AEEERN N#CC1(C[C@H](O)CF)CCCCC1 306626766 345498351 /nfs/dbraw/zinc/49/83/51/345498351.db2.gz IGCYFRFRSSJKDD-VIFPVBQESA-N 0 0 185.242 2.181 10 30 AEEERN C=C(CC)CSCC(C)=O 306635828 345503648 /nfs/dbraw/zinc/50/36/48/345503648.db2.gz AJHQWKFXCVFKAH-UHFFFAOYSA-N 0 0 158.266 2.275 10 30 AEEERN CC(C)O[C@@H](C#N)[C@H]1CCSC1 306636951 345504903 /nfs/dbraw/zinc/50/49/03/345504903.db2.gz BIAOCFFWRQEUOI-IUCAKERBSA-N 0 0 185.292 2.057 10 30 AEEERN C[C@@H](C#N)[C@H](O)C1(C)CCCCC1 306637042 345504920 /nfs/dbraw/zinc/50/49/20/345504920.db2.gz BBMPUZSCEHQZRX-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)O[C@H](C#N)[C@@H]1CCSC1 306636953 345505000 /nfs/dbraw/zinc/50/50/00/345505000.db2.gz BIAOCFFWRQEUOI-RKDXNWHRSA-N 0 0 185.292 2.057 10 30 AEEERN CC(C)O[C@H](C#N)[C@H]1CCSC1 306636949 345505094 /nfs/dbraw/zinc/50/50/94/345505094.db2.gz BIAOCFFWRQEUOI-DTWKUNHWSA-N 0 0 185.292 2.057 10 30 AEEERN CC(C)O[C@@H](C#N)[C@@H]1CCSC1 306636947 345505101 /nfs/dbraw/zinc/50/51/01/345505101.db2.gz BIAOCFFWRQEUOI-BDAKNGLRSA-N 0 0 185.292 2.057 10 30 AEEERN C[C@@H](C#N)[C@@H](O)C1(C)CCCCC1 306637044 345505621 /nfs/dbraw/zinc/50/56/21/345505621.db2.gz BBMPUZSCEHQZRX-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN N#C[C@]1(CC(F)F)CCCCC1=O 306638359 345506379 /nfs/dbraw/zinc/50/63/79/345506379.db2.gz BUXAOHCXZKXRBB-SECBINFHSA-N 0 0 187.189 2.295 10 30 AEEERN N#C[C@@]1(CC(F)F)CCCCC1=O 306638361 345506415 /nfs/dbraw/zinc/50/64/15/345506415.db2.gz BUXAOHCXZKXRBB-VIFPVBQESA-N 0 0 187.189 2.295 10 30 AEEERN N#CCC(=O)Oc1ccccc1Cl 306638817 345506595 /nfs/dbraw/zinc/50/65/95/345506595.db2.gz CAUYMSKEYBKKAX-UHFFFAOYSA-N 0 0 195.605 2.159 10 30 AEEERN C[C@@H](C#N)N1CCC2(CCCC2)C1 306639359 345507143 /nfs/dbraw/zinc/50/71/43/345507143.db2.gz CQXNYQSAPIQXDZ-JTQLQIEISA-N 0 0 178.279 2.165 10 30 AEEERN CC(C)n1cc(C2=CCCC2=O)cn1 306638966 345507168 /nfs/dbraw/zinc/50/71/68/345507168.db2.gz NSKWQEDSWJLDFR-UHFFFAOYSA-N 0 0 190.246 2.210 10 30 AEEERN C[C@H](C#N)N1CCC2(CCCC2)C1 306639360 345507418 /nfs/dbraw/zinc/50/74/18/345507418.db2.gz CQXNYQSAPIQXDZ-SNVBAGLBSA-N 0 0 178.279 2.165 10 30 AEEERN Cc1cccnc1CC(C)(C)C#N 306639259 345507484 /nfs/dbraw/zinc/50/74/84/345507484.db2.gz CMXLZECJUXSXQP-UHFFFAOYSA-N 0 0 174.247 2.482 10 30 AEEERN Cc1cc(OC(C)(C)C=O)ccc1F 306641109 345509481 /nfs/dbraw/zinc/50/94/81/345509481.db2.gz QCIRUCKVPQDFAZ-UHFFFAOYSA-N 0 0 196.221 2.490 10 30 AEEERN Cc1cccc(OC(C)(C)C=O)c1F 306641285 345509495 /nfs/dbraw/zinc/50/94/95/345509495.db2.gz QGZNSPVCNSIJFH-UHFFFAOYSA-N 0 0 196.221 2.490 10 30 AEEERN CC[C@H](F)Cn1cc(C)c(C#N)c1 306643127 345511524 /nfs/dbraw/zinc/51/15/24/345511524.db2.gz VYGZCWBDXNBSFV-JTQLQIEISA-N 0 0 180.226 2.416 10 30 AEEERN CC[C@@H](F)Cn1cc(C)c(C#N)c1 306643128 345511514 /nfs/dbraw/zinc/51/15/14/345511514.db2.gz VYGZCWBDXNBSFV-SNVBAGLBSA-N 0 0 180.226 2.416 10 30 AEEERN C[N@H+](C1CC(C)(C)C1)C(C)(C)C=O 306643776 345512338 /nfs/dbraw/zinc/51/23/38/345512338.db2.gz XSQTWUGHFKITTB-UHFFFAOYSA-N 0 0 183.295 2.084 10 30 AEEERN CC(C)c1ccccc1[C@@](C)(O)C=O 306645003 345514015 /nfs/dbraw/zinc/51/40/15/345514015.db2.gz FPKANYAMYSQDGK-LBPRGKRZSA-N 0 0 192.258 2.216 10 30 AEEERN CC(C)(C#N)[C@H]1CCCCC[C@H]1O 306645399 345514046 /nfs/dbraw/zinc/51/40/46/345514046.db2.gz ANBHJCAAKQGDPN-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)c1ccccc1[C@](C)(O)C=O 306644994 345514063 /nfs/dbraw/zinc/51/40/63/345514063.db2.gz FPKANYAMYSQDGK-GFCCVEGCSA-N 0 0 192.258 2.216 10 30 AEEERN CC(C)(C#N)[C@H]1CCCCC[C@@H]1O 306644828 345514088 /nfs/dbraw/zinc/51/40/88/345514088.db2.gz ANBHJCAAKQGDPN-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN N#CCN1CCCCc2sccc21 306645433 345514277 /nfs/dbraw/zinc/51/42/77/345514277.db2.gz ANXICTFCHXXMHB-UHFFFAOYSA-N 0 0 192.287 2.414 10 30 AEEERN CC(C)(C#N)[C@@H]1CCCCC[C@@H]1O 306645406 345514280 /nfs/dbraw/zinc/51/42/80/345514280.db2.gz ANBHJCAAKQGDPN-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)[C@@H]1CCCCC[C@H]1O 306644811 345514314 /nfs/dbraw/zinc/51/43/14/345514314.db2.gz ANBHJCAAKQGDPN-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCSCc1ccno1 306646155 345514646 /nfs/dbraw/zinc/51/46/46/345514646.db2.gz BHIZCRVVGNNTEX-UHFFFAOYSA-N 0 0 155.222 2.094 10 30 AEEERN CCC#C[C@H](C)N1CCC(F)(F)C1 306651537 345518457 /nfs/dbraw/zinc/51/84/57/345518457.db2.gz GBTCWHZEWCFNER-VIFPVBQESA-N 0 0 187.233 2.129 10 30 AEEERN CCC#C[C@@H](C)N1CCC(F)(F)C1 306651536 345518608 /nfs/dbraw/zinc/51/86/08/345518608.db2.gz GBTCWHZEWCFNER-SECBINFHSA-N 0 0 187.233 2.129 10 30 AEEERN C#CC[C@H](c1ccccc1)[NH+](C)C 306652291 345519087 /nfs/dbraw/zinc/51/90/87/345519087.db2.gz GKXQWAGMZNATBK-GFCCVEGCSA-N 0 0 173.259 2.313 10 30 AEEERN C=CCNC(=O)C1=CCCC1(C)C 306652822 345519104 /nfs/dbraw/zinc/51/91/04/345519104.db2.gz UPAYRSQZJYFYDR-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C#CC[C@@H](c1ccccc1)[NH+](C)C 306652292 345519187 /nfs/dbraw/zinc/51/91/87/345519187.db2.gz GKXQWAGMZNATBK-LBPRGKRZSA-N 0 0 173.259 2.313 10 30 AEEERN C[C@@]1(C2CCC2)CC(=O)C=CO1 306655181 345521423 /nfs/dbraw/zinc/52/14/23/345521423.db2.gz IEXMVBPHEHQGMV-JTQLQIEISA-N 0 0 166.220 2.048 10 30 AEEERN C=C(C)C(=O)C1CC(F)(F)C1 306657212 345522730 /nfs/dbraw/zinc/52/27/30/345522730.db2.gz JRELWNJXPFJYHS-UHFFFAOYSA-N 0 0 160.163 2.177 10 30 AEEERN CCC(C)N=Nc1ccnc(F)c1 306657830 345523090 /nfs/dbraw/zinc/52/30/90/345523090.db2.gz IFRDMWCQMKABOY-KPKJPENVSA-N 0 0 181.214 2.419 10 30 AEEERN C[C@@H](CS)C1CCC1 306667444 345530054 /nfs/dbraw/zinc/53/00/54/345530054.db2.gz GTCNGHJIJVKHJC-LURJTMIESA-N 0 0 130.256 2.352 10 30 AEEERN C[C@H](CS)C1CCC1 306667445 345530123 /nfs/dbraw/zinc/53/01/23/345530123.db2.gz GTCNGHJIJVKHJC-ZCFIWIBFSA-N 0 0 130.256 2.352 10 30 AEEERN Cc1c(-c2ncco2)ccc(C#N)c1N 306667103 345530330 /nfs/dbraw/zinc/53/03/30/345530330.db2.gz JMVKROJIXSCCQR-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN CC(C)O[C@]1(C#N)CC[C@H]2C[C@H]21 306671858 345533690 /nfs/dbraw/zinc/53/36/90/345533690.db2.gz ZOUSPBDMNHIQHQ-AEJSXWLSSA-N 0 0 165.236 2.104 10 30 AEEERN CC(C)O[C@]1(C#N)CC[C@@H]2C[C@@H]21 306671861 345533770 /nfs/dbraw/zinc/53/37/70/345533770.db2.gz ZOUSPBDMNHIQHQ-UTLUCORTSA-N 0 0 165.236 2.104 10 30 AEEERN CC(C=O)=C(O)C1CCCC1 306672860 345534245 /nfs/dbraw/zinc/53/42/45/345534245.db2.gz BJERIEFVZQRSCH-VOTSOKGWSA-N 0 0 154.209 2.208 10 30 AEEERN C/C=C/C[C@](C)(C#N)C(C)=O 306675115 345536933 /nfs/dbraw/zinc/53/69/33/345536933.db2.gz RVKUYRLCXZEXDH-XNPJLODASA-N 0 0 151.209 2.071 10 30 AEEERN C/C=C/C[C@@](C)(C#N)C(C)=O 306675114 345537097 /nfs/dbraw/zinc/53/70/97/345537097.db2.gz RVKUYRLCXZEXDH-MOVJSRMASA-N 0 0 151.209 2.071 10 30 AEEERN N#Cc1cc(Cl)ccc1NO 306675943 345537938 /nfs/dbraw/zinc/53/79/38/345537938.db2.gz UVGDGQSCZMPASG-UHFFFAOYSA-N 0 0 168.583 2.013 10 30 AEEERN C=CCSc1cc(Cl)ncn1 306676577 345538666 /nfs/dbraw/zinc/53/86/66/345538666.db2.gz WMXFFJYLRRNBKD-UHFFFAOYSA-N 0 0 186.667 2.408 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)C[C@@H](C)[C@@H]1C 306677655 345539446 /nfs/dbraw/zinc/53/94/46/345539446.db2.gz ZKEWDSRQWJLGPP-YTWAJWBKSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)C[C@H](C)[C@@H]1C 306677613 345539490 /nfs/dbraw/zinc/53/94/90/345539490.db2.gz ZKEWDSRQWJLGPP-MMWGEVLESA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)C[C@@H](C)[C@H]1C 306677612 345539555 /nfs/dbraw/zinc/53/95/55/345539555.db2.gz ZKEWDSRQWJLGPP-DBIOUOCHSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)C[C@H](C)[C@H]1C 306677656 345539604 /nfs/dbraw/zinc/53/96/04/345539604.db2.gz ZKEWDSRQWJLGPP-ZDCRXTMVSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@@H](C#N)[C@]1(O)CC2CCC1CC2 306679130 345540893 /nfs/dbraw/zinc/54/08/93/345540893.db2.gz HVUVQEFOYSPMPQ-POSLAHMBSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@H](C#N)[C@@]1(O)CC2CCC1CC2 306679134 345540902 /nfs/dbraw/zinc/54/09/02/345540902.db2.gz HVUVQEFOYSPMPQ-RSJDFQLWSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@H](C#N)[C@]1(O)CC2CCC1CC2 306679138 345541130 /nfs/dbraw/zinc/54/11/30/345541130.db2.gz HVUVQEFOYSPMPQ-RUJICJSRSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@@H](C#N)[C@@]1(O)CC2CCC1CC2 306679125 345541139 /nfs/dbraw/zinc/54/11/39/345541139.db2.gz HVUVQEFOYSPMPQ-ADPBJBESSA-N 0 0 193.290 2.477 10 30 AEEERN N#CC1([C@]2(O)CC3CCC2CC3)CC1 306679579 345541422 /nfs/dbraw/zinc/54/14/22/345541422.db2.gz IPVWFVSTOZOYAK-CBINBANVSA-N 0 0 191.274 2.231 10 30 AEEERN N#CC1([C@@]2(O)CC3CCC2CC3)CC1 306679580 345541709 /nfs/dbraw/zinc/54/17/09/345541709.db2.gz IPVWFVSTOZOYAK-RTYFJBAXSA-N 0 0 191.274 2.231 10 30 AEEERN CC[C@@](C)(C#N)OC(C)C 306680478 345542405 /nfs/dbraw/zinc/54/24/05/345542405.db2.gz KZMQZVBHBPFRJT-QMMMGPOBSA-N 0 0 141.214 2.104 10 30 AEEERN CC[C@](C)(C#N)OC(C)C 306680477 345542424 /nfs/dbraw/zinc/54/24/24/345542424.db2.gz KZMQZVBHBPFRJT-MRVPVSSYSA-N 0 0 141.214 2.104 10 30 AEEERN CC(C)=CC(=O)c1ccsn1 306682082 345543349 /nfs/dbraw/zinc/54/33/49/345543349.db2.gz PZTBIGHAQVCBPZ-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN CC(C)O[C@](C)(C#N)C1(C)CC1 306681865 345543396 /nfs/dbraw/zinc/54/33/96/345543396.db2.gz PAVFKFCXRXCCEA-SNVBAGLBSA-N 0 0 167.252 2.494 10 30 AEEERN CC(C)O[C@@](C)(C#N)C1(C)CC1 306681864 345543474 /nfs/dbraw/zinc/54/34/74/345543474.db2.gz PAVFKFCXRXCCEA-JTQLQIEISA-N 0 0 167.252 2.494 10 30 AEEERN C#C[C@](C)(CC)Nc1nnc(C)s1 306683003 345544474 /nfs/dbraw/zinc/54/44/74/345544474.db2.gz UGHVCULVOZHPHQ-SECBINFHSA-N 0 0 195.291 2.060 10 30 AEEERN C#C[C@@](C)(CC)Nc1nnc(C)s1 306683004 345544708 /nfs/dbraw/zinc/54/47/08/345544708.db2.gz UGHVCULVOZHPHQ-VIFPVBQESA-N 0 0 195.291 2.060 10 30 AEEERN CCN[C@]1(C#N)CC2CCC1CC2 306684413 345545542 /nfs/dbraw/zinc/54/55/42/345545542.db2.gz ZXVMMERTWPDFKR-ILDUYXDCSA-N 0 0 178.279 2.068 10 30 AEEERN CCN[C@@]1(C#N)CC2CCC1CC2 306684414 345545590 /nfs/dbraw/zinc/54/55/90/345545590.db2.gz ZXVMMERTWPDFKR-VQXHTEKXSA-N 0 0 178.279 2.068 10 30 AEEERN CC(C)[C@]1(C)CCC[C@@H](C=O)O1 306684549 345545760 /nfs/dbraw/zinc/54/57/60/345545760.db2.gz CYUGWZMZQWYUMJ-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN C#C[C@@](C)(CC)Nc1nc(C)ns1 306684205 345545777 /nfs/dbraw/zinc/54/57/77/345545777.db2.gz YZECANWIAHWERX-VIFPVBQESA-N 0 0 195.291 2.060 10 30 AEEERN CC(C)[C@@]1(C)CCC[C@H](C=O)O1 306684548 345545790 /nfs/dbraw/zinc/54/57/90/345545790.db2.gz CYUGWZMZQWYUMJ-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN C#C[C@](C)(CC)Nc1nc(C)ns1 306684204 345545802 /nfs/dbraw/zinc/54/58/02/345545802.db2.gz YZECANWIAHWERX-SECBINFHSA-N 0 0 195.291 2.060 10 30 AEEERN CC(C)[C@@]1(C)CCC[C@@H](C=O)O1 306684550 345545805 /nfs/dbraw/zinc/54/58/05/345545805.db2.gz CYUGWZMZQWYUMJ-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN C#Cc1cccc(NC2CSC2)c1 306685996 345546876 /nfs/dbraw/zinc/54/68/76/345546876.db2.gz JRQVFPNRISBSFA-UHFFFAOYSA-N 0 0 189.283 2.195 10 30 AEEERN C=C(C)CCSCCOC 306687611 345547685 /nfs/dbraw/zinc/54/76/85/345547685.db2.gz HUSZOJAWDLNJJC-UHFFFAOYSA-N 0 0 160.282 2.332 10 30 AEEERN C=C[C@@H](C)[C@@]1(C#N)CCCC1=O 306692380 345550482 /nfs/dbraw/zinc/55/04/82/345550482.db2.gz PREDJUYQGQHZHT-SCZZXKLOSA-N 0 0 163.220 2.071 10 30 AEEERN C=C[C@@H](C)[C@]1(C#N)CCCC1=O 306692372 345550541 /nfs/dbraw/zinc/55/05/41/345550541.db2.gz PREDJUYQGQHZHT-PSASIEDQSA-N 0 0 163.220 2.071 10 30 AEEERN C=C[C@H](C)[C@]1(C#N)CCCC1=O 306692387 345550553 /nfs/dbraw/zinc/55/05/53/345550553.db2.gz PREDJUYQGQHZHT-WCBMZHEXSA-N 0 0 163.220 2.071 10 30 AEEERN C=C[C@H](C)[C@@]1(C#N)CCCC1=O 306692394 345550578 /nfs/dbraw/zinc/55/05/78/345550578.db2.gz PREDJUYQGQHZHT-WPRPVWTQSA-N 0 0 163.220 2.071 10 30 AEEERN CCCNc1cc(C)nc(C#N)c1 306697738 345553469 /nfs/dbraw/zinc/55/34/69/345553469.db2.gz CSYDHEHIKUGGPI-UHFFFAOYSA-N 0 0 175.235 2.084 10 30 AEEERN N#Cc1c([C@@H]2CCCO2)csc1N 306697908 345553626 /nfs/dbraw/zinc/55/36/26/345553626.db2.gz XAWJCIGLJINYFE-QMMMGPOBSA-N 0 0 194.259 2.053 10 30 AEEERN C[C@H]1CCC[C@@](O)(C2(C#N)CC2)C1 306698265 345553672 /nfs/dbraw/zinc/55/36/72/345553672.db2.gz DFFSIDKEASHGNQ-ONGXEEELSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H]1CCC[C@](O)(C2(C#N)CC2)C1 306698251 345553770 /nfs/dbraw/zinc/55/37/70/345553770.db2.gz DFFSIDKEASHGNQ-GXSJLCMTSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H]1CCC[C@](O)(C2(C#N)CC2)C1 306698258 345553824 /nfs/dbraw/zinc/55/38/24/345553824.db2.gz DFFSIDKEASHGNQ-MWLCHTKSSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H]1CCC[C@@](O)(C2(C#N)CC2)C1 306698252 345553899 /nfs/dbraw/zinc/55/38/99/345553899.db2.gz DFFSIDKEASHGNQ-KOLCDFICSA-N 0 0 179.263 2.231 10 30 AEEERN N#Cc1c([C@H]2CCCO2)csc1N 306697902 345553970 /nfs/dbraw/zinc/55/39/70/345553970.db2.gz XAWJCIGLJINYFE-MRVPVSSYSA-N 0 0 194.259 2.053 10 30 AEEERN C#CCON[C@@H]1CCCC12CCCC2 306698484 345554242 /nfs/dbraw/zinc/55/42/42/345554242.db2.gz CVCOZSVZBCKCDS-LLVKDONJSA-N 0 0 193.290 2.254 10 30 AEEERN C#CCON[C@H]1CCCC12CCCC2 306698486 345554243 /nfs/dbraw/zinc/55/42/43/345554243.db2.gz CVCOZSVZBCKCDS-NSHDSACASA-N 0 0 193.290 2.254 10 30 AEEERN CC[C@@H](C)C1(C#N)CCOCC1 306698929 345554263 /nfs/dbraw/zinc/55/42/63/345554263.db2.gz DNHWWGPOKQDTDF-SECBINFHSA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@H](C)C1(C#N)CCOCC1 306698935 345554438 /nfs/dbraw/zinc/55/44/38/345554438.db2.gz DNHWWGPOKQDTDF-VIFPVBQESA-N 0 0 167.252 2.353 10 30 AEEERN C=C(C)C(=O)c1cc(N)ccc1F 306699027 345554473 /nfs/dbraw/zinc/55/44/73/345554473.db2.gz DVFNTPZHGRXJBQ-UHFFFAOYSA-N 0 0 179.194 2.167 10 30 AEEERN CSC(C)(C)C(=O)C1=CCCO1 306701066 345555960 /nfs/dbraw/zinc/55/59/60/345555960.db2.gz GGBWVIQNMBVXFS-UHFFFAOYSA-N 0 0 186.276 2.001 10 30 AEEERN CC1(C)OCC[C@]12CC[C@@H](CC#N)O2 306701781 345556298 /nfs/dbraw/zinc/55/62/98/345556298.db2.gz LHKSOXDMTYLZFD-GXSJLCMTSA-N 0 0 195.262 2.017 10 30 AEEERN CC1(C)OCC[C@@]12CC[C@H](CC#N)O2 306701782 345556322 /nfs/dbraw/zinc/55/63/22/345556322.db2.gz LHKSOXDMTYLZFD-KOLCDFICSA-N 0 0 195.262 2.017 10 30 AEEERN CC1(C)OCC[C@@]12CC[C@@H](CC#N)O2 306701784 345556387 /nfs/dbraw/zinc/55/63/87/345556387.db2.gz LHKSOXDMTYLZFD-ONGXEEELSA-N 0 0 195.262 2.017 10 30 AEEERN CC1(C)OCC[C@]12CC[C@H](CC#N)O2 306701783 345556637 /nfs/dbraw/zinc/55/66/37/345556637.db2.gz LHKSOXDMTYLZFD-MWLCHTKSSA-N 0 0 195.262 2.017 10 30 AEEERN Cc1c(F)cc(CC#N)cc1[N+](=O)[O-] 306705118 345558875 /nfs/dbraw/zinc/55/88/75/345558875.db2.gz OIKORCXFSQPVLH-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN Cc1cc(N)c(C#N)cc1NC1CC1 306705175 345559059 /nfs/dbraw/zinc/55/90/59/345559059.db2.gz KJAYPKDDUVKAMT-UHFFFAOYSA-N 0 0 187.246 2.023 10 30 AEEERN Cc1cnc(C#N)cc1N[C@@H]1C[C@@H]1C 306706556 345559820 /nfs/dbraw/zinc/55/98/20/345559820.db2.gz IZKLOKYJSPAFLF-OIBJUYFYSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cnc(C#N)cc1N[C@@H]1C[C@H]1C 306706554 345559867 /nfs/dbraw/zinc/55/98/67/345559867.db2.gz IZKLOKYJSPAFLF-GMSGAONNSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cnc(C#N)cc1N[C@H]1C[C@@H]1C 306706561 345559911 /nfs/dbraw/zinc/55/99/11/345559911.db2.gz IZKLOKYJSPAFLF-XVKPBYJWSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cnc(C#N)cc1N[C@H]1C[C@H]1C 306706559 345560223 /nfs/dbraw/zinc/56/02/23/345560223.db2.gz IZKLOKYJSPAFLF-XCBNKYQSSA-N 0 0 187.246 2.082 10 30 AEEERN C[C@@H]1CCC[C@]12CC[C@](C)(C=O)O2 306708289 345561745 /nfs/dbraw/zinc/56/17/45/345561745.db2.gz KPTNDYSDEJHMRN-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@@]12CC[C@](C)(C=O)O2 306708288 345561756 /nfs/dbraw/zinc/56/17/56/345561756.db2.gz KPTNDYSDEJHMRN-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@]12CC[C@@](C)(C=O)O2 306708291 345561786 /nfs/dbraw/zinc/56/17/86/345561786.db2.gz KPTNDYSDEJHMRN-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@@]12CC[C@@](C)(C=O)O2 306708290 345561788 /nfs/dbraw/zinc/56/17/88/345561788.db2.gz KPTNDYSDEJHMRN-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN CC(C)(C#N)c1nccnc1C(F)F 306709330 345562462 /nfs/dbraw/zinc/56/24/62/345562462.db2.gz PFIHGODRRWAHNT-UHFFFAOYSA-N 0 0 197.188 2.215 10 30 AEEERN N#Cc1c(F)cncc1C(F)(F)F 306710206 345563562 /nfs/dbraw/zinc/56/35/62/345563562.db2.gz VVOREDYQYNUNHP-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN Cc1cc([N+](=O)[O-])cc(F)c1CC#N 306711792 345564628 /nfs/dbraw/zinc/56/46/28/345564628.db2.gz YDFONEJKZZZSKD-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN O=CCC[C@@]1(O)CCCC12CCCC2 306712428 345565068 /nfs/dbraw/zinc/56/50/68/345565068.db2.gz UCHSDMYDGGWITE-LBPRGKRZSA-N 0 0 196.290 2.441 10 30 AEEERN C=CCCSC(C)(C)CO 306712057 345565057 /nfs/dbraw/zinc/56/50/57/345565057.db2.gz SRNOJZKPAZGILB-UHFFFAOYSA-N 0 0 160.282 2.067 10 30 AEEERN CC[C@@H](C#N)N[C@H]1CCCC1(F)F 306712283 345565135 /nfs/dbraw/zinc/56/51/35/345565135.db2.gz ORZHGNMNWFZJEC-YUMQZZPRSA-N 0 0 188.221 2.066 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1CCCC1(F)F 306712271 345565176 /nfs/dbraw/zinc/56/51/76/345565176.db2.gz ORZHGNMNWFZJEC-JGVFFNPUSA-N 0 0 188.221 2.066 10 30 AEEERN O=CCC[C@]1(O)CCCC12CCCC2 306712427 345565276 /nfs/dbraw/zinc/56/52/76/345565276.db2.gz UCHSDMYDGGWITE-GFCCVEGCSA-N 0 0 196.290 2.441 10 30 AEEERN C=C(C)C(=O)C(C)(C)SC 306714404 345566031 /nfs/dbraw/zinc/56/60/31/345566031.db2.gz WXNYFBUSJSUYML-UHFFFAOYSA-N 0 0 158.266 2.273 10 30 AEEERN CC[C@H](NC1=CC(=O)CC1)C1CCC1 306714730 345566736 /nfs/dbraw/zinc/56/67/36/345566736.db2.gz XGKNHSCYPKCSOW-LBPRGKRZSA-N 0 0 193.290 2.402 10 30 AEEERN N#Cc1cnc(F)cc1C(F)(F)F 306714621 345566932 /nfs/dbraw/zinc/56/69/32/345566932.db2.gz FKDJVLHWHJFKEQ-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN C#CC(=O)Nc1ccc(C)cc1Cl 306715170 345567420 /nfs/dbraw/zinc/56/74/20/345567420.db2.gz RSRGNONVIXDEGJ-UHFFFAOYSA-N 0 0 193.633 2.220 10 30 AEEERN Cc1cc(O)cc(CC#N)c1C 306715946 345568141 /nfs/dbraw/zinc/56/81/41/345568141.db2.gz FRQDBSBSYYWKMW-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN CCC(CC)[C@@]1(C#N)CCOC1 306718924 345570318 /nfs/dbraw/zinc/57/03/18/345570318.db2.gz WWNHWUZILDAXKG-SNVBAGLBSA-N 0 0 167.252 2.353 10 30 AEEERN CCC(CC)[C@]1(C#N)CCOC1 306718922 345570329 /nfs/dbraw/zinc/57/03/29/345570329.db2.gz WWNHWUZILDAXKG-JTQLQIEISA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@@H]1CC[C@@]2(CC[C@H](C=O)O2)C1 306719676 345570796 /nfs/dbraw/zinc/57/07/96/345570796.db2.gz YHMKKCTXRIGZJI-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@H]1CC[C@]2(CC[C@@H](C=O)O2)C1 306719679 345571123 /nfs/dbraw/zinc/57/11/23/345571123.db2.gz YHMKKCTXRIGZJI-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@H]1CC[C@@]2(CC[C@@H](C=O)O2)C1 306719678 345571160 /nfs/dbraw/zinc/57/11/60/345571160.db2.gz YHMKKCTXRIGZJI-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@@H]1CC[C@]2(CC[C@H](C=O)O2)C1 306719677 345571169 /nfs/dbraw/zinc/57/11/69/345571169.db2.gz YHMKKCTXRIGZJI-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@H](O)C[C@]1(C=O)CCCC[C@@H]1C 306720634 345571939 /nfs/dbraw/zinc/57/19/39/345571939.db2.gz CXMIQWSVHPRZNQ-DCAQKATOSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H](O)C[C@@]1(C=O)CCCC[C@H]1C 306720638 345572069 /nfs/dbraw/zinc/57/20/69/345572069.db2.gz CXMIQWSVHPRZNQ-OUAUKWLOSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H](O)C[C@@]1(C=O)CCCC[C@@H]1C 306720636 345572167 /nfs/dbraw/zinc/57/21/67/345572167.db2.gz CXMIQWSVHPRZNQ-GARJFASQSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H](O)C[C@]1(C=O)CCCC[C@H]1C 306720640 345572269 /nfs/dbraw/zinc/57/22/69/345572269.db2.gz CXMIQWSVHPRZNQ-VWYCJHECSA-N 0 0 184.279 2.153 10 30 AEEERN CC(=O)/C=C/c1ncc(C)s1 306720719 345572301 /nfs/dbraw/zinc/57/23/01/345572301.db2.gz NRNRWYYYIBZNOA-ONEGZZNKSA-N 0 0 167.233 2.054 10 30 AEEERN N#Cc1ccc(NCc2ccco2)o1 306722245 345573055 /nfs/dbraw/zinc/57/30/55/345573055.db2.gz FOOMPNUCTVXZGZ-UHFFFAOYSA-N 0 0 188.186 2.356 10 30 AEEERN N#C[C@@]1(CCC2CC2)CCCOC1 306722999 345573327 /nfs/dbraw/zinc/57/33/27/345573327.db2.gz GGPZXJHUOFPUHT-NSHDSACASA-N 0 0 179.263 2.497 10 30 AEEERN N#C[C@]1(CCC2CC2)CCCOC1 306722998 345573444 /nfs/dbraw/zinc/57/34/44/345573444.db2.gz GGPZXJHUOFPUHT-LLVKDONJSA-N 0 0 179.263 2.497 10 30 AEEERN C#CCNc1nc2cc(F)ccc2o1 306723732 345573674 /nfs/dbraw/zinc/57/36/74/345573674.db2.gz HMBJDTXCJHWPFG-UHFFFAOYSA-N 0 0 190.177 2.012 10 30 AEEERN Cc1cc(NCCF)ccc1C#N 306723144 345573683 /nfs/dbraw/zinc/57/36/83/345573683.db2.gz GLWLTSPUVJDEBB-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN C#C[C@H](O)[C@H]1CCC[C@H](CC)C1 306723689 345573686 /nfs/dbraw/zinc/57/36/86/345573686.db2.gz SIWPHLZDNSHBCU-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@H](O)[C@@H]1CCC[C@H](CC)C1 306723688 345573738 /nfs/dbraw/zinc/57/37/38/345573738.db2.gz SIWPHLZDNSHBCU-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@H](O)[C@H]1CCC[C@@H](CC)C1 306723691 345573769 /nfs/dbraw/zinc/57/37/69/345573769.db2.gz SIWPHLZDNSHBCU-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@H](O)[C@@H]1CCC[C@@H](CC)C1 306723690 345574136 /nfs/dbraw/zinc/57/41/36/345574136.db2.gz SIWPHLZDNSHBCU-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN C#Cc1cc(=S)[nH]c(C(C)C)n1 306723946 345574688 /nfs/dbraw/zinc/57/46/88/345574688.db2.gz HYBVBCBHBRWSPN-UHFFFAOYSA-N 0 0 178.260 2.244 10 30 AEEERN C#CCCC(=O)c1ccc2c(n1)CCC2 306723948 345574886 /nfs/dbraw/zinc/57/48/86/345574886.db2.gz HYPCYGLITRNFNC-UHFFFAOYSA-N 0 0 199.253 2.166 10 30 AEEERN Cc1cc(CC#N)c(F)c([N+](=O)[O-])c1 306724278 345574915 /nfs/dbraw/zinc/57/49/15/345574915.db2.gz UPJUJIFYPFFZJP-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CC#C[C@@H](O)c1ccc(C)cc1C 306724357 345574971 /nfs/dbraw/zinc/57/49/71/345574971.db2.gz IOTNWSDWOJOGBR-GFCCVEGCSA-N 0 0 174.243 2.360 10 30 AEEERN CC#C[C@H](O)c1ccc(C)cc1C 306724358 345575002 /nfs/dbraw/zinc/57/50/02/345575002.db2.gz IOTNWSDWOJOGBR-LBPRGKRZSA-N 0 0 174.243 2.360 10 30 AEEERN C[C@H](F)CCNc1cccnc1C#N 306724568 345575116 /nfs/dbraw/zinc/57/51/16/345575116.db2.gz IWYYHIJSQHUNCN-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN C[C@@H](F)CCNc1cccnc1C#N 306724567 345575405 /nfs/dbraw/zinc/57/54/05/345575405.db2.gz IWYYHIJSQHUNCN-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN C[C@@H](Nc1cccc(C#N)n1)C(F)F 306725928 345575798 /nfs/dbraw/zinc/57/57/98/345575798.db2.gz YGHSOHTUZCHQRF-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN C[C@H](Nc1cccc(C#N)n1)C(F)F 306725927 345575803 /nfs/dbraw/zinc/57/58/03/345575803.db2.gz YGHSOHTUZCHQRF-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN C=C(C)C(=O)[C@@H]1C[C@H]1CC 306726232 345576461 /nfs/dbraw/zinc/57/64/61/345576461.db2.gz YWAZTCOPUQVTPN-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN N#C[C@]1([C@@H]2C=CCCC2)CCOC1 306726001 345576597 /nfs/dbraw/zinc/57/65/97/345576597.db2.gz LNWQNTOCYBYYEN-GHMZBOCLSA-N 0 0 177.247 2.273 10 30 AEEERN N#C[C@]1([C@H]2C=CCCC2)CCOC1 306726005 345576635 /nfs/dbraw/zinc/57/66/35/345576635.db2.gz LNWQNTOCYBYYEN-WDEREUQCSA-N 0 0 177.247 2.273 10 30 AEEERN N#C[C@@]1([C@@H]2C=CCCC2)CCOC1 306726002 345576683 /nfs/dbraw/zinc/57/66/83/345576683.db2.gz LNWQNTOCYBYYEN-MNOVXSKESA-N 0 0 177.247 2.273 10 30 AEEERN C#CCCC[C@@]1(C#N)CCCC1=O 306726509 345576770 /nfs/dbraw/zinc/57/67/70/345576770.db2.gz MAYSMFVMIHCTDF-NSHDSACASA-N 0 0 175.231 2.053 10 30 AEEERN C#CCCC[C@]1(C#N)CCCC1=O 306726508 345576872 /nfs/dbraw/zinc/57/68/72/345576872.db2.gz MAYSMFVMIHCTDF-LLVKDONJSA-N 0 0 175.231 2.053 10 30 AEEERN N#C[C@@]1([C@H]2C=CCCC2)CCOC1 306726004 345576924 /nfs/dbraw/zinc/57/69/24/345576924.db2.gz LNWQNTOCYBYYEN-QWRGUYRKSA-N 0 0 177.247 2.273 10 30 AEEERN C=C(C)CC(=O)C(C)(C)F 306726610 345576945 /nfs/dbraw/zinc/57/69/45/345576945.db2.gz ZOMYDORDSDPSIN-UHFFFAOYSA-N 0 0 144.189 2.270 10 30 AEEERN Cc1cc(F)cc([N+](=O)[O-])c1CC#N 306727341 345577212 /nfs/dbraw/zinc/57/72/12/345577212.db2.gz ATFHVBUOGKVXAM-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN N#C[C@H]1CC[C@H](Nc2ccccn2)C1 306729703 345578431 /nfs/dbraw/zinc/57/84/31/345578431.db2.gz OUFPKHWOQZQLJF-UWVGGRQHSA-N 0 0 187.246 2.186 10 30 AEEERN N#C[C@H]1CC[C@@H](Nc2ccccn2)C1 306729704 345578730 /nfs/dbraw/zinc/57/87/30/345578730.db2.gz OUFPKHWOQZQLJF-VHSXEESVSA-N 0 0 187.246 2.186 10 30 AEEERN N#C[C@@H]1CC[C@@H](Nc2ccccn2)C1 306729702 345578739 /nfs/dbraw/zinc/57/87/39/345578739.db2.gz OUFPKHWOQZQLJF-NXEZZACHSA-N 0 0 187.246 2.186 10 30 AEEERN C[C@H](F)CCNc1cnccc1C#N 306730504 345579246 /nfs/dbraw/zinc/57/92/46/345579246.db2.gz PLKHJHYCINBVLT-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN Cc1cc(CC=O)c(F)cc1F 306730437 345579281 /nfs/dbraw/zinc/57/92/81/345579281.db2.gz LBEODGFLOJRTAC-UHFFFAOYSA-N 0 0 170.158 2.015 10 30 AEEERN C[C@@H](F)CCNc1cnccc1C#N 306730503 345579292 /nfs/dbraw/zinc/57/92/92/345579292.db2.gz PLKHJHYCINBVLT-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN C[C@@H]1CCC[C@](C=O)([C@@H]2CCOC2)C1 306733967 345581558 /nfs/dbraw/zinc/58/15/58/345581558.db2.gz UCAQUXRLLQDGTA-UTUOFQBUSA-N 0 0 196.290 2.418 10 30 AEEERN CSC1([C@H](O)C(C)(C)C#N)CCC1 306734130 345581601 /nfs/dbraw/zinc/58/16/01/345581601.db2.gz UIKAVOFGOIREGZ-MRVPVSSYSA-N 0 0 199.319 2.183 10 30 AEEERN CSC1([C@@H](O)C(C)(C)C#N)CCC1 306734131 345581605 /nfs/dbraw/zinc/58/16/05/345581605.db2.gz UIKAVOFGOIREGZ-QMMMGPOBSA-N 0 0 199.319 2.183 10 30 AEEERN C[C@@H]1CCC[C@@](C=O)([C@@H]2CCOC2)C1 306733966 345581696 /nfs/dbraw/zinc/58/16/96/345581696.db2.gz UCAQUXRLLQDGTA-IJLUTSLNSA-N 0 0 196.290 2.418 10 30 AEEERN C[C@@H]1CCC[C@@](C=O)([C@H]2CCOC2)C1 306733965 345581708 /nfs/dbraw/zinc/58/17/08/345581708.db2.gz UCAQUXRLLQDGTA-GRYCIOLGSA-N 0 0 196.290 2.418 10 30 AEEERN CSC1([C@H]2CC(=O)C=CO2)CCC1 306734333 345581957 /nfs/dbraw/zinc/58/19/57/345581957.db2.gz UTDMJLZBGPDODE-SECBINFHSA-N 0 0 198.287 2.144 10 30 AEEERN C[C@@H]1CCC[C@](C=O)([C@H]2CCOC2)C1 306733968 345581971 /nfs/dbraw/zinc/58/19/71/345581971.db2.gz UCAQUXRLLQDGTA-WOPDTQHZSA-N 0 0 196.290 2.418 10 30 AEEERN O=C[C@@]1(CCF)CCc2ccccc21 306735192 345582449 /nfs/dbraw/zinc/58/24/49/345582449.db2.gz VXAJZEFUHFXCLS-LBPRGKRZSA-N 0 0 192.233 2.429 10 30 AEEERN CC1(C)CC[C@@](O)(C2(C#N)CC2)C1 306737245 345584023 /nfs/dbraw/zinc/58/40/23/345584023.db2.gz YQYMBOAXPYHPLN-NSHDSACASA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H]1CCC[C@]1(C=O)C1CCOCC1 306737456 345584119 /nfs/dbraw/zinc/58/41/19/345584119.db2.gz YZSPUQKYAIMWLL-ZYHUDNBSSA-N 0 0 196.290 2.418 10 30 AEEERN C[C@@H]1CCC[C@@]1(C=O)C1CCOCC1 306737454 345584125 /nfs/dbraw/zinc/58/41/25/345584125.db2.gz YZSPUQKYAIMWLL-PWSUYJOCSA-N 0 0 196.290 2.418 10 30 AEEERN N#Cc1ccc(NCC2(F)CC2)cc1 306737279 345584139 /nfs/dbraw/zinc/58/41/39/345584139.db2.gz YTJVJHJHPCAVQU-UHFFFAOYSA-N 0 0 190.221 2.472 10 30 AEEERN CC1(C)CC[C@](O)(C2(C#N)CC2)C1 306737244 345584245 /nfs/dbraw/zinc/58/42/45/345584245.db2.gz YQYMBOAXPYHPLN-LLVKDONJSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H]1CCC[C@@]1(C=O)C1CCOCC1 306737452 345584252 /nfs/dbraw/zinc/58/42/52/345584252.db2.gz YZSPUQKYAIMWLL-JQWIXIFHSA-N 0 0 196.290 2.418 10 30 AEEERN C[C@H]1CCC[C@]1(C=O)C1CCOCC1 306737450 345584294 /nfs/dbraw/zinc/58/42/94/345584294.db2.gz YZSPUQKYAIMWLL-CMPLNLGQSA-N 0 0 196.290 2.418 10 30 AEEERN CC#C[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 306737930 345584702 /nfs/dbraw/zinc/58/47/02/345584702.db2.gz ZUEBQVPTAPLBNR-USWWRNFRSA-N 0 0 178.275 2.363 10 30 AEEERN CCC(C)(C)[C@H]1CC(=O)C=CO1 306737735 345584804 /nfs/dbraw/zinc/58/48/04/345584804.db2.gz RNLROCWLIZOTRX-SECBINFHSA-N 0 0 168.236 2.294 10 30 AEEERN CC#C[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 306737929 345584939 /nfs/dbraw/zinc/58/49/39/345584939.db2.gz ZUEBQVPTAPLBNR-JLLWLGSASA-N 0 0 178.275 2.363 10 30 AEEERN CCC(C)(C)[C@@H]1CC(=O)C=CO1 306737736 345584946 /nfs/dbraw/zinc/58/49/46/345584946.db2.gz RNLROCWLIZOTRX-VIFPVBQESA-N 0 0 168.236 2.294 10 30 AEEERN CC#C[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1 306737928 345584948 /nfs/dbraw/zinc/58/49/48/345584948.db2.gz ZUEBQVPTAPLBNR-DLOVCJGASA-N 0 0 178.275 2.363 10 30 AEEERN CC#C[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 306737931 345584962 /nfs/dbraw/zinc/58/49/62/345584962.db2.gz ZUEBQVPTAPLBNR-WCQGTBRESA-N 0 0 178.275 2.363 10 30 AEEERN C=C(C)[C@H](O)c1ccc(Cl)nc1 306744639 345588100 /nfs/dbraw/zinc/58/81/00/345588100.db2.gz YJFDEGVLSRAVPN-VIFPVBQESA-N 0 0 183.638 2.345 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(Cl)nc1 306744638 345588317 /nfs/dbraw/zinc/58/83/17/345588317.db2.gz YJFDEGVLSRAVPN-SECBINFHSA-N 0 0 183.638 2.345 10 30 AEEERN C[C@@H]1C[C@]2(CC[C@](C)(C=O)O2)[C@@H]1C 306747835 345589537 /nfs/dbraw/zinc/58/95/37/345589537.db2.gz FCARLLMPKJZATC-GWOFURMSSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1C[C@]2(CC[C@@](C)(C=O)O2)[C@@H]1C 306747826 345589598 /nfs/dbraw/zinc/58/95/98/345589598.db2.gz FCARLLMPKJZATC-CHWFTXMASA-N 0 0 182.263 2.169 10 30 AEEERN C[C@H]1[C@H](C)C[C@]12CC[C@](C)(C=O)O2 306747838 345589756 /nfs/dbraw/zinc/58/97/56/345589756.db2.gz FCARLLMPKJZATC-LMLFDSFASA-N 0 0 182.263 2.169 10 30 AEEERN C[C@H]1[C@H](C)C[C@]12CC[C@@](C)(C=O)O2 306747841 345589909 /nfs/dbraw/zinc/58/99/09/345589909.db2.gz FCARLLMPKJZATC-VPOLOUISSA-N 0 0 182.263 2.169 10 30 AEEERN C=C[C@@H](C)SC1=NCCS1 306751515 345591422 /nfs/dbraw/zinc/59/14/22/345591422.db2.gz HWWIZGARMMPBBD-ZCFIWIBFSA-N 0 0 173.306 2.397 10 30 AEEERN C#CCOc1c(N)cc(Cl)cc1F 306751815 345591534 /nfs/dbraw/zinc/59/15/34/345591534.db2.gz KNGDHHMUGODKLO-UHFFFAOYSA-N 0 0 199.612 2.073 10 30 AEEERN C=C[C@H](C)SC1=NCCS1 306751514 345591611 /nfs/dbraw/zinc/59/16/11/345591611.db2.gz HWWIZGARMMPBBD-LURJTMIESA-N 0 0 173.306 2.397 10 30 AEEERN CC(O)=CC(=O)c1ccccc1[O-] 306754515 345592874 /nfs/dbraw/zinc/59/28/74/345592874.db2.gz NXBNQFDLCYYLHC-SREVYHEPSA-N 0 0 178.187 2.037 10 30 AEEERN N#Cc1ccc(N2CCSC2)cc1 306755171 345593235 /nfs/dbraw/zinc/59/32/35/345593235.db2.gz KUVQPKKYQQTIIL-UHFFFAOYSA-N 0 0 190.271 2.069 10 30 AEEERN CC(C)=CC(=O)c1ccc[nH]1 306757632 345594237 /nfs/dbraw/zinc/59/42/37/345594237.db2.gz NMOJBYFABMKEKF-UHFFFAOYSA-N 0 0 149.193 2.164 10 30 AEEERN CC/C=C/C(=O)c1ccc[nH]1 306759221 345595141 /nfs/dbraw/zinc/59/51/41/345595141.db2.gz PEJBGJXBFZGZEI-ZZXKWVIFSA-N 0 0 149.193 2.164 10 30 AEEERN C=C(C)C(=O)c1cc(C)cc(C)n1 306759530 345595841 /nfs/dbraw/zinc/59/58/41/345595841.db2.gz WNOGYKWOZXENKC-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN CSc1ccnc(N=[N+]=[N-])n1 306759445 345595858 /nfs/dbraw/zinc/59/58/58/345595858.db2.gz VHXXOKBYUPXFAL-UHFFFAOYSA-N 0 0 167.197 2.140 10 30 AEEERN C=C(C)[C@@H](O)c1cc(F)ccc1N 306759756 345596047 /nfs/dbraw/zinc/59/60/47/345596047.db2.gz VQVFKNVFHMSBOS-SNVBAGLBSA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)[C@H](O)c1cc(F)ccc1N 306759755 345596079 /nfs/dbraw/zinc/59/60/79/345596079.db2.gz VQVFKNVFHMSBOS-JTQLQIEISA-N 0 0 181.210 2.017 10 30 AEEERN SCCc1csc(C2CC2)n1 306761974 345598107 /nfs/dbraw/zinc/59/81/07/345598107.db2.gz GWZRWHCLKXDARY-UHFFFAOYSA-N 0 0 185.317 2.493 10 30 AEEERN CC/C=C/C(=O)c1cscn1 306762721 345598661 /nfs/dbraw/zinc/59/86/61/345598661.db2.gz FBQKZZDEBKZMSN-ONEGZZNKSA-N 0 0 167.233 2.292 10 30 AEEERN CSCSc1ccc(C#N)cn1 306762663 345598745 /nfs/dbraw/zinc/59/87/45/345598745.db2.gz DUFZIXDLWYTNBW-UHFFFAOYSA-N 0 0 196.300 2.366 10 30 AEEERN Cc1cc(F)cc(C#N)c1C 306763980 345599711 /nfs/dbraw/zinc/59/97/11/345599711.db2.gz GUZAOVITNPSXKC-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN Cc1ccc(C(F)(F)F)nc1C#N 306764933 345599821 /nfs/dbraw/zinc/59/98/21/345599821.db2.gz LCWXFPBYZNDSED-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN N#Cc1ccc(C(F)(F)F)nc1F 306765769 345600345 /nfs/dbraw/zinc/60/03/45/345600345.db2.gz LXQFWRGXKGVWQI-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN CC1(C)CC[C@@](C#N)(CCF)C1=O 306765825 345600385 /nfs/dbraw/zinc/60/03/85/345600385.db2.gz AFHBPHUNNKSTHC-JTQLQIEISA-N 0 0 183.226 2.245 10 30 AEEERN CC1(C)CC[C@](C#N)(CCF)C1=O 306765835 345600516 /nfs/dbraw/zinc/60/05/16/345600516.db2.gz AFHBPHUNNKSTHC-SNVBAGLBSA-N 0 0 183.226 2.245 10 30 AEEERN C#CCC(=O)c1cccc(F)c1C 306766661 345601307 /nfs/dbraw/zinc/60/13/07/345601307.db2.gz BOWJDKICIINXNH-UHFFFAOYSA-N 0 0 176.190 2.340 10 30 AEEERN C#C[C@@](C)(CC)Nc1nccs1 306770884 345603964 /nfs/dbraw/zinc/60/39/64/345603964.db2.gz QWLLLIQGWIANBV-VIFPVBQESA-N 0 0 180.276 2.357 10 30 AEEERN C#C[C@](C)(CC)Nc1nccs1 306770883 345604045 /nfs/dbraw/zinc/60/40/45/345604045.db2.gz QWLLLIQGWIANBV-SECBINFHSA-N 0 0 180.276 2.357 10 30 AEEERN C=C(C)CC(=O)[C@@]1(C)C[C@H]1F 306773184 345605548 /nfs/dbraw/zinc/60/55/48/345605548.db2.gz IMQXMNOOKWNOJG-APPZFPTMSA-N 0 0 156.200 2.270 10 30 AEEERN CN[C@@H](C#N)C1(C)CCCCCC1 306773257 345605532 /nfs/dbraw/zinc/60/55/32/345605532.db2.gz UICDUEQFZIAJJK-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN C=C(C)CC(=O)[C@]1(C)C[C@@H]1F 306773188 345605554 /nfs/dbraw/zinc/60/55/54/345605554.db2.gz IMQXMNOOKWNOJG-IONNQARKSA-N 0 0 156.200 2.270 10 30 AEEERN C=C(C)CC(=O)[C@@]1(C)C[C@@H]1F 306773186 345605568 /nfs/dbraw/zinc/60/55/68/345605568.db2.gz IMQXMNOOKWNOJG-CBAPKCEASA-N 0 0 156.200 2.270 10 30 AEEERN C=C(C)CC(=O)[C@]1(C)C[C@H]1F 306773190 345605663 /nfs/dbraw/zinc/60/56/63/345605663.db2.gz IMQXMNOOKWNOJG-VXNVDRBHSA-N 0 0 156.200 2.270 10 30 AEEERN CN[C@H](C#N)C1(C)CCCCCC1 306773258 345605756 /nfs/dbraw/zinc/60/57/56/345605756.db2.gz UICDUEQFZIAJJK-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN C[C@H](Nc1cc(C#N)ccn1)C(F)F 306774174 345606143 /nfs/dbraw/zinc/60/61/43/345606143.db2.gz VICXWYNIWPFSLW-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN C[C@@H](Nc1cc(C#N)ccn1)C(F)F 306774175 345606154 /nfs/dbraw/zinc/60/61/54/345606154.db2.gz VICXWYNIWPFSLW-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@@H]2CCOC2)C1 306779327 345608941 /nfs/dbraw/zinc/60/89/41/345608941.db2.gz VUAVVQKNSJCPTN-MXWKQRLJSA-N 0 0 179.263 2.353 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@H]2CCOC2)C1 306779328 345608985 /nfs/dbraw/zinc/60/89/85/345608985.db2.gz VUAVVQKNSJCPTN-OUAUKWLOSA-N 0 0 179.263 2.353 10 30 AEEERN C[C@@H]1CC[C@](C#N)([C@H]2CCOC2)C1 306779329 345608995 /nfs/dbraw/zinc/60/89/95/345608995.db2.gz VUAVVQKNSJCPTN-VWYCJHECSA-N 0 0 179.263 2.353 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@@H]2CCOC2)C1 306779326 345609226 /nfs/dbraw/zinc/60/92/26/345609226.db2.gz VUAVVQKNSJCPTN-GMTAPVOTSA-N 0 0 179.263 2.353 10 30 AEEERN CC[C@@](C)(C#N)N1CC(C(C)C)C1 306781493 345610008 /nfs/dbraw/zinc/61/00/08/345610008.db2.gz FFQRRLKBDYRQQH-NSHDSACASA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@](C)(C#N)N1CC(C(C)C)C1 306781491 345610017 /nfs/dbraw/zinc/61/00/17/345610017.db2.gz FFQRRLKBDYRQQH-LLVKDONJSA-N 0 0 180.295 2.266 10 30 AEEERN CC1(C(=O)C2=CCCC2)CC1 306783812 345611801 /nfs/dbraw/zinc/61/18/01/345611801.db2.gz GXKXOOSCOPDLNF-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN CC(=O)C=C1CC(C)(C)C1 306784766 345612742 /nfs/dbraw/zinc/61/27/42/345612742.db2.gz MPVVEJJQEIQCBQ-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H](F)CCNc1cc(C#N)ccn1 306785851 345613242 /nfs/dbraw/zinc/61/32/42/345613242.db2.gz OKZUPSFVSSQKDU-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN CC1=C(C)CN(C2=CC(=O)CC2)CC1 306785563 345613276 /nfs/dbraw/zinc/61/32/76/345613276.db2.gz NUXWJFWJXYSIHF-UHFFFAOYSA-N 0 0 191.274 2.275 10 30 AEEERN C=C1CCCN(c2nc(C)ns2)C1 306786623 345613383 /nfs/dbraw/zinc/61/33/83/345613383.db2.gz PFDFMCADZGEJQC-UHFFFAOYSA-N 0 0 195.291 2.003 10 30 AEEERN C#C[C@](O)(CCC)C(C)(C)C 306787193 345614037 /nfs/dbraw/zinc/61/40/37/345614037.db2.gz QGJADVKYOQMDGW-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN C#C[C@@](O)(CCC)C(C)(C)C 306787195 345614073 /nfs/dbraw/zinc/61/40/73/345614073.db2.gz QGJADVKYOQMDGW-SNVBAGLBSA-N 0 0 154.253 2.197 10 30 AEEERN C=CC(=O)c1cccc(F)c1C#N 306787306 345614450 /nfs/dbraw/zinc/61/44/50/345614450.db2.gz MPUCDUWKVHSQCF-UHFFFAOYSA-N 0 0 175.162 2.066 10 30 AEEERN C=CC(=O)[C@H](C)C(C)(C)C 306788217 345614959 /nfs/dbraw/zinc/61/49/59/345614959.db2.gz WYZQMULXQIDNID-ZETCQYMHSA-N 0 0 140.226 2.424 10 30 AEEERN C=CC(=O)[C@@H](C)C(C)(C)C 306788216 345614975 /nfs/dbraw/zinc/61/49/75/345614975.db2.gz WYZQMULXQIDNID-SSDOTTSWSA-N 0 0 140.226 2.424 10 30 AEEERN COC[C@]1(C#N)CCc2ccccc21 306790265 345616184 /nfs/dbraw/zinc/61/61/84/345616184.db2.gz VCXHGUSTXRPXNV-GFCCVEGCSA-N 0 0 187.242 2.041 10 30 AEEERN COC[C@@]1(C#N)CCc2ccccc21 306790266 345616215 /nfs/dbraw/zinc/61/62/15/345616215.db2.gz VCXHGUSTXRPXNV-LBPRGKRZSA-N 0 0 187.242 2.041 10 30 AEEERN CC[C@@]1(c2ccco2)CC[C@@H](C=O)O1 306791477 345617411 /nfs/dbraw/zinc/61/74/11/345617411.db2.gz XSPDJCNIJIEDIU-ONGXEEELSA-N 0 0 194.230 2.263 10 30 AEEERN CC[C@]1(c2ccco2)CC[C@H](C=O)O1 306791476 345617416 /nfs/dbraw/zinc/61/74/16/345617416.db2.gz XSPDJCNIJIEDIU-MWLCHTKSSA-N 0 0 194.230 2.263 10 30 AEEERN CC[C@]1(c2ccco2)CC[C@@H](C=O)O1 306791474 345617431 /nfs/dbraw/zinc/61/74/31/345617431.db2.gz XSPDJCNIJIEDIU-GXSJLCMTSA-N 0 0 194.230 2.263 10 30 AEEERN CC[C@@]1(c2ccco2)CC[C@H](C=O)O1 306791475 345617577 /nfs/dbraw/zinc/61/75/77/345617577.db2.gz XSPDJCNIJIEDIU-KOLCDFICSA-N 0 0 194.230 2.263 10 30 AEEERN C[C@]1(c2cccs2)CC[C@@H](C=O)O1 306791915 345618015 /nfs/dbraw/zinc/61/80/15/345618015.db2.gz ZFENJJDGGFFNGU-WCBMZHEXSA-N 0 0 196.271 2.341 10 30 AEEERN CC1(C)CC(O)(C2(C#N)CCC2)C1 306791778 345618034 /nfs/dbraw/zinc/61/80/34/345618034.db2.gz YZNZKSBANGYKTR-UHFFFAOYSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@]1(c2cccs2)CC[C@H](C=O)O1 306791913 345618039 /nfs/dbraw/zinc/61/80/39/345618039.db2.gz ZFENJJDGGFFNGU-PSASIEDQSA-N 0 0 196.271 2.341 10 30 AEEERN C[C@@]1(c2cccs2)CC[C@H](C=O)O1 306791914 345618054 /nfs/dbraw/zinc/61/80/54/345618054.db2.gz ZFENJJDGGFFNGU-SCZZXKLOSA-N 0 0 196.271 2.341 10 30 AEEERN C[C@@]1(c2cccs2)CC[C@@H](C=O)O1 306791916 345618057 /nfs/dbraw/zinc/61/80/57/345618057.db2.gz ZFENJJDGGFFNGU-WPRPVWTQSA-N 0 0 196.271 2.341 10 30 AEEERN CC(C)CNC1(C#N)CC(C)(C)C1 306791657 345618194 /nfs/dbraw/zinc/61/81/94/345618194.db2.gz YNAQNMGSWUURJQ-UHFFFAOYSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCC1=CC(=O)C[C@H](C)C1 306793300 345619093 /nfs/dbraw/zinc/61/90/93/345619093.db2.gz RPTYHRDLLZYPRU-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCC1=CC(=O)C[C@@H](C)C1 306793301 345619420 /nfs/dbraw/zinc/61/94/20/345619420.db2.gz RPTYHRDLLZYPRU-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)CN=Nc1ccnc(F)c1 306794823 345619737 /nfs/dbraw/zinc/61/97/37/345619737.db2.gz UBXJZFLSQGSMJR-WUXMJOGZSA-N 0 0 181.214 2.274 10 30 AEEERN Cc1cc(C2(C#N)CCC2)nc(C)n1 306797324 345621363 /nfs/dbraw/zinc/62/13/63/345621363.db2.gz KJKZEWLLTNBHJL-UHFFFAOYSA-N 0 0 187.246 2.039 10 30 AEEERN C=CC(=O)c1cccc(F)c1OC 306798216 345622247 /nfs/dbraw/zinc/62/22/47/345622247.db2.gz BYJQOJMVPMSXOJ-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN CC1(C)CCC(C#N)(CCO)CC1 306803623 345625118 /nfs/dbraw/zinc/62/51/18/345625118.db2.gz WBLCTKCAFLPTRX-UHFFFAOYSA-N 0 0 181.279 2.479 10 30 AEEERN O=C1CCC=C1[C@H]1CCc2cccnc21 306806138 345626106 /nfs/dbraw/zinc/62/61/06/345626106.db2.gz ITZZPUNEADFHNR-LLVKDONJSA-N 0 0 199.253 2.401 10 30 AEEERN C[C@@](O)(C1CCC1)C1(C#N)CCC1 306805377 345626122 /nfs/dbraw/zinc/62/61/22/345626122.db2.gz AHXBMBVNXHPNKB-SNVBAGLBSA-N 0 0 179.263 2.231 10 30 AEEERN O=C1CCC=C1[C@@H]1CCc2cccnc21 306806139 345626258 /nfs/dbraw/zinc/62/62/58/345626258.db2.gz ITZZPUNEADFHNR-NSHDSACASA-N 0 0 199.253 2.401 10 30 AEEERN C[C@](O)(C1CCC1)C1(C#N)CCC1 306805375 345626315 /nfs/dbraw/zinc/62/63/15/345626315.db2.gz AHXBMBVNXHPNKB-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN C=CCC(=O)c1cocc1C 306806491 345626917 /nfs/dbraw/zinc/62/69/17/345626917.db2.gz JVXHAHHHKGMWAS-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN C=CC[C@@H](O)c1cocc1C 306808500 345627671 /nfs/dbraw/zinc/62/76/71/345627671.db2.gz PFTIUTAGRPARHF-SECBINFHSA-N 0 0 152.193 2.198 10 30 AEEERN C=CC[C@H](O)c1cocc1C 306808501 345627846 /nfs/dbraw/zinc/62/78/46/345627846.db2.gz PFTIUTAGRPARHF-VIFPVBQESA-N 0 0 152.193 2.198 10 30 AEEERN Cc1cocc1C1=CCCC1=O 306809371 345629094 /nfs/dbraw/zinc/62/90/94/345629094.db2.gz RUWJGZXULQKOIS-UHFFFAOYSA-N 0 0 162.188 2.334 10 30 AEEERN Cc1c(CC#N)ccc([N+](=O)[O-])c1C 306814361 345631747 /nfs/dbraw/zinc/63/17/47/345631747.db2.gz AWLJVNNOCFYIES-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN C=C(c1cc(=O)cc[nH]1)C(F)(F)F 306815228 345632374 /nfs/dbraw/zinc/63/23/74/345632374.db2.gz DDBNUGLMCMMTEV-UHFFFAOYSA-N 0 0 189.136 2.363 10 30 AEEERN O=C1CCCC=C1c1ccncc1F 306815746 345632397 /nfs/dbraw/zinc/63/23/97/345632397.db2.gz DBWFTWNTGPGNSB-UHFFFAOYSA-N 0 0 191.205 2.357 10 30 AEEERN CCn1ccnc1C1=CCCCC1=O 306818892 345634267 /nfs/dbraw/zinc/63/42/67/345634267.db2.gz FZQQZDXOPPXQBY-UHFFFAOYSA-N 0 0 190.246 2.039 10 30 AEEERN N#Cc1cc(N)cc(Cl)c1Cl 306819539 345635009 /nfs/dbraw/zinc/63/50/09/345635009.db2.gz LIUOYVFPMFTZAY-UHFFFAOYSA-N 0 0 187.029 2.447 10 30 AEEERN CCn1cnc(C2=CC(=O)CCC2)c1 306822630 345637281 /nfs/dbraw/zinc/63/72/81/345637281.db2.gz NOAJVUJCOGREOL-UHFFFAOYSA-N 0 0 190.246 2.039 10 30 AEEERN Cc1cc(C2=CCCC2=O)cc(C)n1 306822654 345637296 /nfs/dbraw/zinc/63/72/96/345637296.db2.gz NRDWVZRDJVDISD-UHFFFAOYSA-N 0 0 187.242 2.445 10 30 AEEERN Cc1ncc(C(=O)C2=CCCC2)n1C 306823805 345638742 /nfs/dbraw/zinc/63/87/42/345638742.db2.gz RMEYCGQSRWCNSS-UHFFFAOYSA-N 0 0 190.246 2.022 10 30 AEEERN N#Cc1ccc(C(F)(F)F)cc1C=O 306824594 345639569 /nfs/dbraw/zinc/63/95/69/345639569.db2.gz WFVBMAFJGPYVLP-UHFFFAOYSA-N 0 0 199.131 2.390 10 30 AEEERN N#Cc1cnc(F)c(C(F)(F)F)c1 306824874 345639584 /nfs/dbraw/zinc/63/95/84/345639584.db2.gz WUHIJCWFMXUSAT-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN CC(C)(C#N)N[C@@H]1CCCC1(C)C 306826214 345640542 /nfs/dbraw/zinc/64/05/42/345640542.db2.gz ZEMYACOOMZFSQD-SECBINFHSA-N 0 0 180.295 2.457 10 30 AEEERN CC(C)(C#N)N[C@H]1CCCC1(C)C 306826215 345640702 /nfs/dbraw/zinc/64/07/02/345640702.db2.gz ZEMYACOOMZFSQD-VIFPVBQESA-N 0 0 180.295 2.457 10 30 AEEERN C#CCCNc1noc2ccccc12 306825871 345640844 /nfs/dbraw/zinc/64/08/44/345640844.db2.gz YGJOXESAMWUPSF-UHFFFAOYSA-N 0 0 186.214 2.263 10 30 AEEERN N#CC(C#N)c1nccc2sccc12 306826565 345641120 /nfs/dbraw/zinc/64/11/20/345641120.db2.gz ZYEWKHPTMKNNKO-UHFFFAOYSA-N 0 0 199.238 2.427 10 30 AEEERN Cc1nc(C2=CC(=O)CC2)cs1 306829771 345643185 /nfs/dbraw/zinc/64/31/85/345643185.db2.gz KHJMKVAIELAVKY-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN Cc1c(F)ccc(F)c1CC#N 306834345 345646574 /nfs/dbraw/zinc/64/65/74/345646574.db2.gz PQCIXEFWGOWFAQ-UHFFFAOYSA-N 0 0 167.158 2.339 10 30 AEEERN CC#CCC(=O)[C@@H]1C[C@@H]1CC 306835416 345646790 /nfs/dbraw/zinc/64/67/90/345646790.db2.gz SKLVWTXEKJYJMG-DTWKUNHWSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@@H]1C[C@H]1CC 306835418 345647032 /nfs/dbraw/zinc/64/70/32/345647032.db2.gz SKLVWTXEKJYJMG-RKDXNWHRSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@H]1C[C@@H]1CC 306835417 345646996 /nfs/dbraw/zinc/64/69/96/345646996.db2.gz SKLVWTXEKJYJMG-IUCAKERBSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@H]1C[C@H]1CC 306835415 345647261 /nfs/dbraw/zinc/64/72/61/345647261.db2.gz SKLVWTXEKJYJMG-BDAKNGLRSA-N 0 0 150.221 2.015 10 30 AEEERN N#CCc1ccc(CS)cc1 306836723 345647569 /nfs/dbraw/zinc/64/75/69/345647569.db2.gz UFWMTKZLGSDHKW-UHFFFAOYSA-N 0 0 163.245 2.182 10 30 AEEERN CC(C)CN[C@@]1(C#N)CCC1(C)C 306836549 345647586 /nfs/dbraw/zinc/64/75/86/345647586.db2.gz TXTLYIDYOYXPGB-LLVKDONJSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)CN[C@]1(C#N)CCC1(C)C 306836556 345647665 /nfs/dbraw/zinc/64/76/65/345647665.db2.gz TXTLYIDYOYXPGB-NSHDSACASA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@]1(C)C[C@@H]1NC1=CC(=O)CC1 306839019 345649164 /nfs/dbraw/zinc/64/91/64/345649164.db2.gz YDERGJMGARWHBS-WDEREUQCSA-N 0 0 179.263 2.011 10 30 AEEERN CC1(C)C[C@@H]1[C@]1(C)CC(=O)C=CO1 306839879 345649215 /nfs/dbraw/zinc/64/92/15/345649215.db2.gz ZTZXWYJBHAMQBL-ONGXEEELSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(C)C(=O)[C@H]1C[C@@H]1CC 306839689 345649264 /nfs/dbraw/zinc/64/92/64/345649264.db2.gz YWAZTCOPUQVTPN-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@@]1(C)C[C@H]1NC1=CC(=O)CC1 306839017 345649279 /nfs/dbraw/zinc/64/92/79/345649279.db2.gz YDERGJMGARWHBS-MNOVXSKESA-N 0 0 179.263 2.011 10 30 AEEERN C=C(C)C(=O)[C@H]1C[C@H]1CC 306839688 345649296 /nfs/dbraw/zinc/64/92/96/345649296.db2.gz YWAZTCOPUQVTPN-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)C[C@H]1[C@@]1(C)CC(=O)C=CO1 306839878 345649322 /nfs/dbraw/zinc/64/93/22/345649322.db2.gz ZTZXWYJBHAMQBL-MWLCHTKSSA-N 0 0 180.247 2.294 10 30 AEEERN CC1(C)C[C@@H]1[C@@]1(C)CC(=O)C=CO1 306839876 345649353 /nfs/dbraw/zinc/64/93/53/345649353.db2.gz ZTZXWYJBHAMQBL-GXSJLCMTSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(C)C(=O)[C@@H]1C[C@@H]1CC 306839687 345649360 /nfs/dbraw/zinc/64/93/60/345649360.db2.gz YWAZTCOPUQVTPN-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CC[C@@]1(C)C[C@@H]1NC1=CC(=O)CC1 306839018 345649412 /nfs/dbraw/zinc/64/94/12/345649412.db2.gz YDERGJMGARWHBS-QWRGUYRKSA-N 0 0 179.263 2.011 10 30 AEEERN CC1(C)C[C@H]1[C@]1(C)CC(=O)C=CO1 306839877 345649478 /nfs/dbraw/zinc/64/94/78/345649478.db2.gz ZTZXWYJBHAMQBL-KOLCDFICSA-N 0 0 180.247 2.294 10 30 AEEERN CC[C@]1(C)C[C@H]1NC1=CC(=O)CC1 306839016 345649483 /nfs/dbraw/zinc/64/94/83/345649483.db2.gz YDERGJMGARWHBS-GHMZBOCLSA-N 0 0 179.263 2.011 10 30 AEEERN O=C1CCCC=C1c1cscn1 306839937 345649854 /nfs/dbraw/zinc/64/98/54/345649854.db2.gz ZFALUQGWDBWVTR-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN C=CCSc1cnc(Cl)cn1 306842366 345651572 /nfs/dbraw/zinc/65/15/72/345651572.db2.gz CBTVRSWKBNFQEO-UHFFFAOYSA-N 0 0 186.667 2.408 10 30 AEEERN C=C(COC)C1(O)C[C@@H](C)C[C@H](C)C1 306843469 345652291 /nfs/dbraw/zinc/65/22/91/345652291.db2.gz CJNFHDTULVEXBR-UWVGGRQHSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(COC)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 306843468 345652519 /nfs/dbraw/zinc/65/25/19/345652519.db2.gz CJNFHDTULVEXBR-PEGIJTEDSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(COC)C1(O)C[C@H](C)C[C@@H](C)C1 306843467 345652584 /nfs/dbraw/zinc/65/25/84/345652584.db2.gz CJNFHDTULVEXBR-NXEZZACHSA-N 0 0 198.306 2.376 10 30 AEEERN Cc1cc(C(=O)[C@@H](C)C#N)cs1 306845919 345653557 /nfs/dbraw/zinc/65/35/57/345653557.db2.gz JLIXWYXWHDMPHT-LURJTMIESA-N 0 0 179.244 2.399 10 30 AEEERN C#Cc1cc(F)cc(Cl)c1N 306847346 345654890 /nfs/dbraw/zinc/65/48/90/345654890.db2.gz LDDLEGFCABHNQX-UHFFFAOYSA-N 0 0 169.586 2.043 10 30 AEEERN C#C[C@H]([NH3+])c1cc(F)ccc1Cl 306849315 345656084 /nfs/dbraw/zinc/65/60/84/345656084.db2.gz NPMARPDBRPYGAY-VIFPVBQESA-N 0 0 183.613 2.112 10 30 AEEERN C#C[C@@H]([NH3+])c1cc(F)ccc1Cl 306849314 345656321 /nfs/dbraw/zinc/65/63/21/345656321.db2.gz NPMARPDBRPYGAY-SECBINFHSA-N 0 0 183.613 2.112 10 30 AEEERN CC1(C)CC2(CC(=O)C=CO2)C1 306852625 345657709 /nfs/dbraw/zinc/65/77/09/345657709.db2.gz SBMQDODQTLXVRF-UHFFFAOYSA-N 0 0 166.220 2.048 10 30 AEEERN CC[C@]1([C@@H]2CC2(C)C)CO1 306860339 345663365 /nfs/dbraw/zinc/66/33/65/345663365.db2.gz DSVSOMTYDJQPCL-VXNVDRBHSA-N 0 0 140.226 2.212 10 30 AEEERN CC[C@]1([C@H]2CC2(C)C)CO1 306860338 345663513 /nfs/dbraw/zinc/66/35/13/345663513.db2.gz DSVSOMTYDJQPCL-IONNQARKSA-N 0 0 140.226 2.212 10 30 AEEERN CC[C@@]1([C@@H]2CC2(C)C)CO1 306860336 345663529 /nfs/dbraw/zinc/66/35/29/345663529.db2.gz DSVSOMTYDJQPCL-APPZFPTMSA-N 0 0 140.226 2.212 10 30 AEEERN CC[C@@]1([C@H]2CC2(C)C)CO1 306860337 345663547 /nfs/dbraw/zinc/66/35/47/345663547.db2.gz DSVSOMTYDJQPCL-CBAPKCEASA-N 0 0 140.226 2.212 10 30 AEEERN CC1CCC(N=NC2CC2)CC1 306861245 345664782 /nfs/dbraw/zinc/66/47/82/345664782.db2.gz FLIURBKHPWPNFV-UHFFFAOYSA-N 0 0 166.268 2.305 10 30 AEEERN C=C(C)[C@@H](O)c1cc(C)nc(C)c1 306862099 345665169 /nfs/dbraw/zinc/66/51/69/345665169.db2.gz GDFNIOZCNGTNCI-LLVKDONJSA-N 0 0 177.247 2.308 10 30 AEEERN C=C(C)[C@H](O)c1cc(C)nc(C)c1 306862100 345665324 /nfs/dbraw/zinc/66/53/24/345665324.db2.gz GDFNIOZCNGTNCI-NSHDSACASA-N 0 0 177.247 2.308 10 30 AEEERN CC[C@H](C)C[C@]1(C#N)CCCCN1 306866064 345667369 /nfs/dbraw/zinc/66/73/69/345667369.db2.gz MZESFWYYCZRKHO-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H](C)C[C@@]1(C#N)CCCCN1 306866062 345667479 /nfs/dbraw/zinc/66/74/79/345667479.db2.gz MZESFWYYCZRKHO-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H](C)C[C@]1(C#N)CCCCN1 306866063 345667595 /nfs/dbraw/zinc/66/75/95/345667595.db2.gz MZESFWYYCZRKHO-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@H](C)C[C@@]1(C#N)CCCCN1 306866065 345667639 /nfs/dbraw/zinc/66/76/39/345667639.db2.gz MZESFWYYCZRKHO-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN C#CCC(=O)[C@H](C)C(C)(C)C 306867758 345668358 /nfs/dbraw/zinc/66/83/58/345668358.db2.gz PYXYMQOVUKETBE-QMMMGPOBSA-N 0 0 152.237 2.261 10 30 AEEERN C#CCC(=O)[C@@H](C)C(C)(C)C 306867757 345668504 /nfs/dbraw/zinc/66/85/04/345668504.db2.gz PYXYMQOVUKETBE-MRVPVSSYSA-N 0 0 152.237 2.261 10 30 AEEERN C#CC(=O)c1csc(C)c1C 306867775 345668673 /nfs/dbraw/zinc/66/86/73/345668673.db2.gz QBDATOCUFXMWME-UHFFFAOYSA-N 0 0 164.229 2.181 10 30 AEEERN N#CC1(Cc2csnn2)CCCC1 306871934 345671094 /nfs/dbraw/zinc/67/10/94/345671094.db2.gz YSJHNHNOGUSSPU-UHFFFAOYSA-N 0 0 193.275 2.165 10 30 AEEERN O=C1C=C(C[C@H]2CCOC2)CCC1 306873052 345671789 /nfs/dbraw/zinc/67/17/89/345671789.db2.gz WRJCGYZSYXTCAD-SNVBAGLBSA-N 0 0 180.247 2.092 10 30 AEEERN C=C(C)CSc1nc(C)no1 306875700 345673164 /nfs/dbraw/zinc/67/31/64/345673164.db2.gz HAQHYXIKEGDFAT-UHFFFAOYSA-N 0 0 170.237 2.046 10 30 AEEERN C[C@@H](C#N)NC[C@H]1CCCC1(C)C 306877816 345674202 /nfs/dbraw/zinc/67/42/02/345674202.db2.gz ICTXOVWAASRQGR-VHSXEESVSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H](C#N)NC[C@@H]1CCCC1(C)C 306877819 345674257 /nfs/dbraw/zinc/67/42/57/345674257.db2.gz ICTXOVWAASRQGR-ZJUUUORDSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H](C#N)NC[C@@H]1CCCC1(C)C 306877814 345674424 /nfs/dbraw/zinc/67/44/24/345674424.db2.gz ICTXOVWAASRQGR-UWVGGRQHSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H](C#N)NC[C@H]1CCCC1(C)C 306877807 345674525 /nfs/dbraw/zinc/67/45/25/345674525.db2.gz ICTXOVWAASRQGR-NXEZZACHSA-N 0 0 180.295 2.314 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@@H](C)C[C@@H]1C 306878480 345674778 /nfs/dbraw/zinc/67/47/78/345674778.db2.gz IQVQLHUMFDUEBE-SCVCMEIPSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@H](C)C[C@@H]1C 306878479 345674782 /nfs/dbraw/zinc/67/47/82/345674782.db2.gz IQVQLHUMFDUEBE-NHCYSSNCSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@H](C)C[C@H]1C 306878481 345674861 /nfs/dbraw/zinc/67/48/61/345674861.db2.gz IQVQLHUMFDUEBE-UMNHJUIQSA-N 0 0 198.306 2.376 10 30 AEEERN C=C(COC)[C@]1(O)CC[C@@H](C)C[C@H]1C 306878478 345674939 /nfs/dbraw/zinc/67/49/39/345674939.db2.gz IQVQLHUMFDUEBE-FOGDFJRCSA-N 0 0 198.306 2.376 10 30 AEEERN CC[C@@](C)(C#N)c1ncc(C)c(C)n1 306879257 345675440 /nfs/dbraw/zinc/67/54/40/345675440.db2.gz JJAQEKVPWPCCFE-NSHDSACASA-N 0 0 189.262 2.285 10 30 AEEERN C[C@H](C#N)NCC1CCCCCC1 306879285 345675452 /nfs/dbraw/zinc/67/54/52/345675452.db2.gz JKPWNECHHUHHSH-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@](C)(C#N)c1ncc(C)c(C)n1 306879256 345675692 /nfs/dbraw/zinc/67/56/92/345675692.db2.gz JJAQEKVPWPCCFE-LLVKDONJSA-N 0 0 189.262 2.285 10 30 AEEERN C[C@@H](C#N)NCC1CCCCCC1 306879284 345675753 /nfs/dbraw/zinc/67/57/53/345675753.db2.gz JKPWNECHHUHHSH-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN Clc1cncnc1N=NC1CCC1 306880209 345677237 /nfs/dbraw/zinc/67/72/37/345677237.db2.gz KKTLXPNGOKFAOF-UHFFFAOYSA-N 0 0 196.641 2.082 10 30 AEEERN C=C(C)[C@H](O)c1ccncc1CC 306882194 345678754 /nfs/dbraw/zinc/67/87/54/345678754.db2.gz NBQBASMTBDKGAX-NSHDSACASA-N 0 0 177.247 2.254 10 30 AEEERN C=C(C)[C@@H](O)c1ccncc1CC 306882193 345678974 /nfs/dbraw/zinc/67/89/74/345678974.db2.gz NBQBASMTBDKGAX-LLVKDONJSA-N 0 0 177.247 2.254 10 30 AEEERN C=C(C)[C@H](O)c1ccc2c(n1)CCC2 306883238 345680214 /nfs/dbraw/zinc/68/02/14/345680214.db2.gz ORGXGNJOOAQSKE-LBPRGKRZSA-N 0 0 189.258 2.180 10 30 AEEERN C=C(C)[C@@H](O)c1ccc2c(n1)CCC2 306883237 345680171 /nfs/dbraw/zinc/68/01/71/345680171.db2.gz ORGXGNJOOAQSKE-GFCCVEGCSA-N 0 0 189.258 2.180 10 30 AEEERN Cc1ccc(C(=O)C2=COCC2)o1 306884919 345681029 /nfs/dbraw/zinc/68/10/29/345681029.db2.gz MOLKZZVKADMCPM-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C=C[C@H](O)[C@@H]1CCc2ccccc21 306885765 345681819 /nfs/dbraw/zinc/68/18/19/345681819.db2.gz RRLNFVKRLHFOAW-NEPJUHHUSA-N 0 0 174.243 2.263 10 30 AEEERN C=C[C@@H](O)[C@H]1CCc2ccccc21 306885766 345681884 /nfs/dbraw/zinc/68/18/84/345681884.db2.gz RRLNFVKRLHFOAW-NWDGAFQWSA-N 0 0 174.243 2.263 10 30 AEEERN C=C[C@H](O)[C@H]1CCc2ccccc21 306885767 345681913 /nfs/dbraw/zinc/68/19/13/345681913.db2.gz RRLNFVKRLHFOAW-RYUDHWBXSA-N 0 0 174.243 2.263 10 30 AEEERN C=C[C@@H](O)[C@@H]1CCc2ccccc21 306885768 345681959 /nfs/dbraw/zinc/68/19/59/345681959.db2.gz RRLNFVKRLHFOAW-VXGBXAGGSA-N 0 0 174.243 2.263 10 30 AEEERN C=C(COC)[C@]1(O)CCCC[C@H]1C 306886360 345682491 /nfs/dbraw/zinc/68/24/91/345682491.db2.gz SLCFGTHTTBIWQP-KOLCDFICSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(COC)[C@]1(O)CCCC[C@@H]1C 306886362 345682559 /nfs/dbraw/zinc/68/25/59/345682559.db2.gz SLCFGTHTTBIWQP-ONGXEEELSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(COC)[C@@]1(O)CCCC[C@@H]1C 306886359 345682627 /nfs/dbraw/zinc/68/26/27/345682627.db2.gz SLCFGTHTTBIWQP-GXSJLCMTSA-N 0 0 184.279 2.130 10 30 AEEERN C=C(COC)[C@@]1(O)CCCC[C@H]1C 306886361 345682656 /nfs/dbraw/zinc/68/26/56/345682656.db2.gz SLCFGTHTTBIWQP-MWLCHTKSSA-N 0 0 184.279 2.130 10 30 AEEERN C=C[C@@H](O)Cc1cc(C)cc(C)c1 306886822 345683165 /nfs/dbraw/zinc/68/31/65/345683165.db2.gz SZPIXPHQZIDRCZ-GFCCVEGCSA-N 0 0 176.259 2.393 10 30 AEEERN C=C[C@H](O)Cc1cc(C)cc(C)c1 306886823 345683241 /nfs/dbraw/zinc/68/32/41/345683241.db2.gz SZPIXPHQZIDRCZ-LBPRGKRZSA-N 0 0 176.259 2.393 10 30 AEEERN C=C(C)CCNc1ccc(N)c(N)c1 306886820 345683378 /nfs/dbraw/zinc/68/33/78/345683378.db2.gz SZECGIZLPCLYRQ-UHFFFAOYSA-N 0 0 191.278 2.229 10 30 AEEERN C=CC(=O)C=C1CCCC1 306890984 345687684 /nfs/dbraw/zinc/68/76/84/345687684.db2.gz WGEGIZWAEUHGHG-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN CC/C=C/C(=O)c1ccsn1 306895923 345689382 /nfs/dbraw/zinc/68/93/82/345689382.db2.gz OGVBAOJPXMTAOO-ONEGZZNKSA-N 0 0 167.233 2.292 10 30 AEEERN C#CCCSCC(=C)C 306897416 345690392 /nfs/dbraw/zinc/69/03/92/345690392.db2.gz SZPBGFDLUKSRRT-UHFFFAOYSA-N 0 0 140.251 2.319 10 30 AEEERN C=CC(=O)c1cc(F)c(F)cc1OC 306899545 345690814 /nfs/dbraw/zinc/69/08/14/345690814.db2.gz JYTNRDFBDSGIDU-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN Cc1cc(C#N)nc(C(F)(F)F)c1 306901228 345691144 /nfs/dbraw/zinc/69/11/44/345691144.db2.gz NLXAMUILZLZOOE-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C=C[C@H](C)Nc1cnc(Cl)cn1 306904670 345693017 /nfs/dbraw/zinc/69/30/17/345693017.db2.gz UYUPGKPIEGRIGR-LURJTMIESA-N 0 0 183.642 2.116 10 30 AEEERN C=C[C@@H](C)Nc1cnc(Cl)cn1 306904671 345693108 /nfs/dbraw/zinc/69/31/08/345693108.db2.gz UYUPGKPIEGRIGR-ZCFIWIBFSA-N 0 0 183.642 2.116 10 30 AEEERN CC#CCN[C@H]1CCCCC1(F)F 306905865 345693713 /nfs/dbraw/zinc/69/37/13/345693713.db2.gz LTMWMHKRWVUQEX-VIFPVBQESA-N 0 0 187.233 2.177 10 30 AEEERN CC#CCN[C@@H]1CCCCC1(F)F 306905864 345693869 /nfs/dbraw/zinc/69/38/69/345693869.db2.gz LTMWMHKRWVUQEX-SECBINFHSA-N 0 0 187.233 2.177 10 30 AEEERN Cc1cc(C)c(CC#N)c([N+](=O)[O-])c1 306910249 345694816 /nfs/dbraw/zinc/69/48/16/345694816.db2.gz ICUSLXXLYCDKFZ-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN Cc1ccc(CC#N)c(F)c1[N+](=O)[O-] 306912864 345696011 /nfs/dbraw/zinc/69/60/11/345696011.db2.gz NUJKGOYOWXPJER-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN Cc1cc(C#N)c(Cl)c([N+](=O)[O-])c1 306913866 345696539 /nfs/dbraw/zinc/69/65/39/345696539.db2.gz PZHPEZACILSPOT-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN CC1([C@@H]2CC[C@H](C=O)O2)CCCC1 306916739 345697301 /nfs/dbraw/zinc/69/73/01/345697301.db2.gz XWLXIQMNFHVECQ-ZJUUUORDSA-N 0 0 182.263 2.313 10 30 AEEERN CC1([C@H]2CC[C@@H](C=O)O2)CCCC1 306916738 345697522 /nfs/dbraw/zinc/69/75/22/345697522.db2.gz XWLXIQMNFHVECQ-VHSXEESVSA-N 0 0 182.263 2.313 10 30 AEEERN CC1([C@@H]2CC[C@@H](C=O)O2)CCCC1 306916737 345697525 /nfs/dbraw/zinc/69/75/25/345697525.db2.gz XWLXIQMNFHVECQ-UWVGGRQHSA-N 0 0 182.263 2.313 10 30 AEEERN CC1([C@H]2CC[C@H](C=O)O2)CCCC1 306916736 345697612 /nfs/dbraw/zinc/69/76/12/345697612.db2.gz XWLXIQMNFHVECQ-NXEZZACHSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@H]1CCCC[C@]1(O)C1(C#N)CC1 306919283 345698449 /nfs/dbraw/zinc/69/84/49/345698449.db2.gz DKEWNOPEOYKNLR-GXSJLCMTSA-N 0 0 179.263 2.231 10 30 AEEERN Cc1ccc([N+](=O)[O-])c(C#N)c1Cl 306918955 345698543 /nfs/dbraw/zinc/69/85/43/345698543.db2.gz JEOVYNFWMZNKCY-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C[C@@H]1CCCC[C@@]1(O)C1(C#N)CC1 306919287 345698559 /nfs/dbraw/zinc/69/85/59/345698559.db2.gz DKEWNOPEOYKNLR-KOLCDFICSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H]1CCCC[C@@]1(O)C1(C#N)CC1 306919291 345698647 /nfs/dbraw/zinc/69/86/47/345698647.db2.gz DKEWNOPEOYKNLR-ONGXEEELSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H]1CCCC[C@]1(O)C1(C#N)CC1 306919289 345698676 /nfs/dbraw/zinc/69/86/76/345698676.db2.gz DKEWNOPEOYKNLR-MWLCHTKSSA-N 0 0 179.263 2.231 10 30 AEEERN CCC(C)N=Nc1cncc(Cl)n1 306919660 345698911 /nfs/dbraw/zinc/69/89/11/345698911.db2.gz FBXHCBWSKWQJPB-WUXMJOGZSA-N 0 0 198.657 2.328 10 30 AEEERN Cc1ccc([N+](=O)[O-])c(C)c1CC#N 306921000 345699383 /nfs/dbraw/zinc/69/93/83/345699383.db2.gz OTVIVRQSQVTWSA-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN N#Cc1ccc(C(F)(F)F)c(C=O)c1 306921081 345699514 /nfs/dbraw/zinc/69/95/14/345699514.db2.gz PCOYOVOAFNROPM-UHFFFAOYSA-N 0 0 199.131 2.390 10 30 AEEERN CO/N=C/c1c(O)cccc1Cl 306923728 345700053 /nfs/dbraw/zinc/70/00/53/345700053.db2.gz GNYWGSUYQQGUEQ-BJMVGYQFSA-N 0 0 185.610 2.026 10 30 AEEERN C1CC[C@H](ON=C2CCCC2)OC1 306923735 345700292 /nfs/dbraw/zinc/70/02/92/345700292.db2.gz GPHMAJJQPBDMQD-JTQLQIEISA-N 0 0 183.251 2.460 10 30 AEEERN C1CC[C@@H](ON=C2CCCC2)OC1 306923736 345700375 /nfs/dbraw/zinc/70/03/75/345700375.db2.gz GPHMAJJQPBDMQD-SNVBAGLBSA-N 0 0 183.251 2.460 10 30 AEEERN C/C(=N/n1cccc1)c1ccc[nH]1 306927271 345702757 /nfs/dbraw/zinc/70/27/57/345702757.db2.gz STTXRVURAQIDMX-XFXZXTDPSA-N 0 0 173.219 2.089 10 30 AEEERN O=[N+]([O-])c1cc(F)cc(CS)c1 306927930 345703344 /nfs/dbraw/zinc/70/33/44/345703344.db2.gz WELCRUKRWSFUQL-UHFFFAOYSA-N 0 0 187.195 2.164 10 30 AEEERN NN=C1CC(c2ccc(F)cc2)C1 306928306 345703408 /nfs/dbraw/zinc/70/34/08/345703408.db2.gz XSJFKWUIPDWMOH-UHFFFAOYSA-N 0 0 178.210 2.018 10 30 AEEERN N#CCC1(CNc2ccccn2)CC1 306932143 345705312 /nfs/dbraw/zinc/70/53/12/345705312.db2.gz CLTQRSVTJDMMCZ-UHFFFAOYSA-N 0 0 187.246 2.187 10 30 AEEERN Cc1ccc(C#N)nc1C(F)(F)F 306937835 345707808 /nfs/dbraw/zinc/70/78/08/345707808.db2.gz LVKWALWDVANACZ-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C=C(Cl)CNc1nc(C)co1 306937159 345707843 /nfs/dbraw/zinc/70/78/43/345707843.db2.gz FQPSYHYMIFRBPT-UHFFFAOYSA-N 0 0 172.615 2.147 10 30 AEEERN Cc1ccc(F)c([N+](=O)[O-])c1CC#N 306937051 345708122 /nfs/dbraw/zinc/70/81/22/345708122.db2.gz KHTCWCNYAWNZNY-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CC[C@H](C)Nc1ccncc1C#N 306942037 345709954 /nfs/dbraw/zinc/70/99/54/345709954.db2.gz IEJVYGGEIPXUKT-QMMMGPOBSA-N 0 0 175.235 2.164 10 30 AEEERN CCCN(C)c1cc(C)ncc1C#N 306941939 345710080 /nfs/dbraw/zinc/71/00/80/345710080.db2.gz HYYAFAVDPCADHQ-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN Cc1cc(C)c([N+](=O)[O-])cc1CC#N 306942248 345710179 /nfs/dbraw/zinc/71/01/79/345710179.db2.gz SEMBZIYANRISKL-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN CC[C@@H](C)Nc1ccncc1C#N 306942036 345710207 /nfs/dbraw/zinc/71/02/07/345710207.db2.gz IEJVYGGEIPXUKT-MRVPVSSYSA-N 0 0 175.235 2.164 10 30 AEEERN Cc1cc(C#N)cc([N+](=O)[O-])c1Cl 306943789 345710556 /nfs/dbraw/zinc/71/05/56/345710556.db2.gz WGNAOTRLHWDKTM-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN Cc1cc(CC#N)cc([N+](=O)[O-])c1C 306944899 345711172 /nfs/dbraw/zinc/71/11/72/345711172.db2.gz ZDBXQPBVHRIIOL-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1[C@@H](N)C#N 306945752 345711777 /nfs/dbraw/zinc/71/17/77/345711777.db2.gz LHKMWOQBGGBYRG-UTLUCORTSA-N 0 0 166.268 2.054 10 30 AEEERN C#C[C@](C)(CC)Nc1ccccn1 306945587 345711784 /nfs/dbraw/zinc/71/17/84/345711784.db2.gz KPEIXCVWUNBAGW-LLVKDONJSA-N 0 0 174.247 2.295 10 30 AEEERN CC[C@@H]1CCCC[C@H]1[C@H](N)C#N 306945751 345711844 /nfs/dbraw/zinc/71/18/44/345711844.db2.gz LHKMWOQBGGBYRG-OPRDCNLKSA-N 0 0 166.268 2.054 10 30 AEEERN C#C[C@@](C)(CC)Nc1ccccn1 306945588 345711870 /nfs/dbraw/zinc/71/18/70/345711870.db2.gz KPEIXCVWUNBAGW-NSHDSACASA-N 0 0 174.247 2.295 10 30 AEEERN CC[C@@H]1CCCC[C@H]1[C@@H](N)C#N 306945749 345711883 /nfs/dbraw/zinc/71/18/83/345711883.db2.gz LHKMWOQBGGBYRG-BBBLOLIVSA-N 0 0 166.268 2.054 10 30 AEEERN C=CC(=O)c1cc(F)cc(F)c1OC 306945375 345712096 /nfs/dbraw/zinc/71/20/96/345712096.db2.gz AJTMQGJTZOENTE-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1[C@H](N)C#N 306945750 345711934 /nfs/dbraw/zinc/71/19/34/345711934.db2.gz LHKMWOQBGGBYRG-KXUCPTDWSA-N 0 0 166.268 2.054 10 30 AEEERN Cc1cc(NC(C)C)c(C#N)cn1 306945861 345712124 /nfs/dbraw/zinc/71/21/24/345712124.db2.gz KRJOYHFLFVWVEM-UHFFFAOYSA-N 0 0 175.235 2.082 10 30 AEEERN Cc1cc(C2=CC(=O)CC2)sn1 306947489 345713307 /nfs/dbraw/zinc/71/33/07/345713307.db2.gz PTMLQNTYUQWDPR-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN O=C[C@@H]1CCCC12CCC2 306951532 345715478 /nfs/dbraw/zinc/71/54/78/345715478.db2.gz CNQOJRDGZZGJQV-QMMMGPOBSA-N 0 0 138.210 2.156 10 30 AEEERN O=C[C@H]1CCCC12CCC2 306951529 345715480 /nfs/dbraw/zinc/71/54/80/345715480.db2.gz CNQOJRDGZZGJQV-MRVPVSSYSA-N 0 0 138.210 2.156 10 30 AEEERN CC#CCSCc1ccnc(C)n1 306953015 345715828 /nfs/dbraw/zinc/71/58/28/345715828.db2.gz HONHKRDDKBWSGH-UHFFFAOYSA-N 0 0 192.287 2.042 10 30 AEEERN CCCNc1cc(C)ncc1C#N 306954163 345716751 /nfs/dbraw/zinc/71/67/51/345716751.db2.gz NPBLAMNVGBOWBY-UHFFFAOYSA-N 0 0 175.235 2.084 10 30 AEEERN C[C@@H]1CC[C@H](C(=O)C2=COCC2)C1 306954456 345716946 /nfs/dbraw/zinc/71/69/46/345716946.db2.gz OESNMABWIWXLQA-BDAKNGLRSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1CC[C@H](C(=O)C2=COCC2)C1 306954458 345716962 /nfs/dbraw/zinc/71/69/62/345716962.db2.gz OESNMABWIWXLQA-IUCAKERBSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1CC[C@@H](C(=O)C2=COCC2)C1 306954457 345717130 /nfs/dbraw/zinc/71/71/30/345717130.db2.gz OESNMABWIWXLQA-DTWKUNHWSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1CC[C@@H](C(=O)C2=COCC2)C1 306954459 345717308 /nfs/dbraw/zinc/71/73/08/345717308.db2.gz OESNMABWIWXLQA-RKDXNWHRSA-N 0 0 180.247 2.296 10 30 AEEERN C/C(=C\Cl)C[C@@]1(C#N)CCCN1 306959942 345719413 /nfs/dbraw/zinc/71/94/13/345719413.db2.gz AMJSTBVREFFUQG-BNICOGTQSA-N 0 0 184.670 2.165 10 30 AEEERN C/C(=C\Cl)C[C@]1(C#N)CCCN1 306959943 345719445 /nfs/dbraw/zinc/71/94/45/345719445.db2.gz AMJSTBVREFFUQG-ORZBULNSSA-N 0 0 184.670 2.165 10 30 AEEERN FC1(F)CCC[C@H]1CS 306960997 345720161 /nfs/dbraw/zinc/72/01/61/345720161.db2.gz ZZOAQXDVRZPXHJ-YFKPBYRVSA-N 0 0 152.209 2.352 10 30 AEEERN FC1(F)CCC[C@@H]1CS 306960996 345720163 /nfs/dbraw/zinc/72/01/63/345720163.db2.gz ZZOAQXDVRZPXHJ-RXMQYKEDSA-N 0 0 152.209 2.352 10 30 AEEERN O=C[C@H]1CC[C@@H](c2ccccc2F)O1 306961224 345720430 /nfs/dbraw/zinc/72/04/30/345720430.db2.gz BHTXCBZFWQCROD-KCJUWKMLSA-N 0 0 194.205 2.245 10 30 AEEERN O=C[C@@H]1CC[C@H](c2ccccc2F)O1 306961217 345720550 /nfs/dbraw/zinc/72/05/50/345720550.db2.gz BHTXCBZFWQCROD-GZMMTYOYSA-N 0 0 194.205 2.245 10 30 AEEERN O=C[C@@H]1CC[C@@H](c2ccccc2F)O1 306961233 345720560 /nfs/dbraw/zinc/72/05/60/345720560.db2.gz BHTXCBZFWQCROD-KWQFWETISA-N 0 0 194.205 2.245 10 30 AEEERN O=C1C=C(c2ccns2)CCC1 306965066 345722771 /nfs/dbraw/zinc/72/27/71/345722771.db2.gz JPVATPPOSWZBJV-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN C#Cc1ccc(Cl)c(O)c1 306965035 345722975 /nfs/dbraw/zinc/72/29/75/345722975.db2.gz NEVQGGRZNWFUME-UHFFFAOYSA-N 0 0 152.580 2.027 10 30 AEEERN N#CCC(=O)[C@@H]1CC2CCC1CC2 306965845 345723407 /nfs/dbraw/zinc/72/34/07/345723407.db2.gz NVXMZUQMRCFAMD-UDNWOFFPSA-N 0 0 177.247 2.295 10 30 AEEERN N#CCC(=O)[C@H]1CC2CCC1CC2 306965839 345723521 /nfs/dbraw/zinc/72/35/21/345723521.db2.gz NVXMZUQMRCFAMD-RTBKNWGFSA-N 0 0 177.247 2.295 10 30 AEEERN CC1([C@@H]2CC(=O)C=CO2)CCCC1 306971550 345726140 /nfs/dbraw/zinc/72/61/40/345726140.db2.gz KIQVHMVPDFHPRP-JTQLQIEISA-N 0 0 180.247 2.438 10 30 AEEERN CC1([C@H]2CC(=O)C=CO2)CCCC1 306971551 345726322 /nfs/dbraw/zinc/72/63/22/345726322.db2.gz KIQVHMVPDFHPRP-SNVBAGLBSA-N 0 0 180.247 2.438 10 30 AEEERN C[C@@]1([C@@H]2CC(=O)C=CO2)CCCS1 306974766 345728320 /nfs/dbraw/zinc/72/83/20/345728320.db2.gz MPWUHJQSNMMKBZ-UWVGGRQHSA-N 0 0 198.287 2.144 10 30 AEEERN C[C@]1([C@H]2CC(=O)C=CO2)CCCS1 306974765 345728325 /nfs/dbraw/zinc/72/83/25/345728325.db2.gz MPWUHJQSNMMKBZ-NXEZZACHSA-N 0 0 198.287 2.144 10 30 AEEERN CC#C[C@@](C)(O)c1ccc(C)c(F)c1 306975783 345728898 /nfs/dbraw/zinc/72/88/98/345728898.db2.gz YQIHFPUMELGXGG-GFCCVEGCSA-N 0 0 192.233 2.365 10 30 AEEERN CC#C[C@](C)(O)c1ccc(C)c(F)c1 306975789 345728914 /nfs/dbraw/zinc/72/89/14/345728914.db2.gz YQIHFPUMELGXGG-LBPRGKRZSA-N 0 0 192.233 2.365 10 30 AEEERN C=C(C)C[C@H]([NH3+])c1cccc(F)c1[O-] 306985062 345734720 /nfs/dbraw/zinc/73/47/20/345734720.db2.gz MWDHIUQJTKQHDN-JTQLQIEISA-N 0 0 195.237 2.497 10 30 AEEERN N#C[C@@H]1O[C@]12CCCC21CCC1 306985272 345734732 /nfs/dbraw/zinc/73/47/32/345734732.db2.gz NDFHINZFMNEJPH-WCBMZHEXSA-N 0 0 163.220 2.002 10 30 AEEERN C=C(C)C[C@@H]([NH3+])c1cccc(F)c1[O-] 306985063 345734879 /nfs/dbraw/zinc/73/48/79/345734879.db2.gz MWDHIUQJTKQHDN-SNVBAGLBSA-N 0 0 195.237 2.497 10 30 AEEERN N#C[C@H]1O[C@]12CCCC21CCC1 306985270 345734884 /nfs/dbraw/zinc/73/48/84/345734884.db2.gz NDFHINZFMNEJPH-PSASIEDQSA-N 0 0 163.220 2.002 10 30 AEEERN N#C[C@@H]1O[C@@]12CCCC21CCC1 306985274 345734902 /nfs/dbraw/zinc/73/49/02/345734902.db2.gz NDFHINZFMNEJPH-WPRPVWTQSA-N 0 0 163.220 2.002 10 30 AEEERN N#C[C@H]1O[C@@]12CCCC21CCC1 306985271 345734938 /nfs/dbraw/zinc/73/49/38/345734938.db2.gz NDFHINZFMNEJPH-SCZZXKLOSA-N 0 0 163.220 2.002 10 30 AEEERN C#CCNc1cccc2c1OCCC2 306989297 345737036 /nfs/dbraw/zinc/73/70/36/345737036.db2.gz GZJCTEHBOBFBLV-UHFFFAOYSA-N 0 0 187.242 2.057 10 30 AEEERN CC[C@H](C#N)[C@H](O)c1cnc(C)s1 306990408 345737694 /nfs/dbraw/zinc/73/76/94/345737694.db2.gz IUEWIHLNUCQRTG-APPZFPTMSA-N 0 0 196.275 2.035 10 30 AEEERN CC[C@H](C#N)[C@@H](O)c1cnc(C)s1 306990411 345737875 /nfs/dbraw/zinc/73/78/75/345737875.db2.gz IUEWIHLNUCQRTG-VXNVDRBHSA-N 0 0 196.275 2.035 10 30 AEEERN CC[C@@H](C#N)[C@@H](O)c1cnc(C)s1 306990410 345737906 /nfs/dbraw/zinc/73/79/06/345737906.db2.gz IUEWIHLNUCQRTG-IONNQARKSA-N 0 0 196.275 2.035 10 30 AEEERN CC[C@@H](C#N)[C@H](O)c1cnc(C)s1 306990409 345737915 /nfs/dbraw/zinc/73/79/15/345737915.db2.gz IUEWIHLNUCQRTG-CBAPKCEASA-N 0 0 196.275 2.035 10 30 AEEERN C=C(C)CNc1c(N)cccc1F 306990959 345738245 /nfs/dbraw/zinc/73/82/45/345738245.db2.gz JRXYUKBGEMGBCS-UHFFFAOYSA-N 0 0 180.226 2.396 10 30 AEEERN C=C[C@H](O)c1ccc(N)cc1Cl 306995181 345740529 /nfs/dbraw/zinc/74/05/29/345740529.db2.gz PQSIZIXEQVKIPM-VIFPVBQESA-N 0 0 183.638 2.142 10 30 AEEERN C=CCNc1cc(F)c(F)cc1N 306995859 345741136 /nfs/dbraw/zinc/74/11/36/345741136.db2.gz REBYBYAFTMFRTJ-UHFFFAOYSA-N 0 0 184.189 2.145 10 30 AEEERN C/C=C/C(=O)c1cocc1C 306999934 345743165 /nfs/dbraw/zinc/74/31/65/345743165.db2.gz BPAWKNDQKGRVQK-ONEGZZNKSA-N 0 0 150.177 2.347 10 30 AEEERN Cc1cc([C@@H]2CO2)cs1 306999921 345743342 /nfs/dbraw/zinc/74/33/42/345743342.db2.gz ADJACOGVCQLTKY-ZETCQYMHSA-N 0 0 140.207 2.128 10 30 AEEERN COc1cccc(CC(C)(C)C#N)n1 307001048 345743980 /nfs/dbraw/zinc/74/39/80/345743980.db2.gz AYGIDSAJCCCTHP-UHFFFAOYSA-N 0 0 190.246 2.182 10 30 AEEERN Cc1ccoc1[C@H]1CC[C@@H](C=O)O1 307001943 345744340 /nfs/dbraw/zinc/74/43/40/345744340.db2.gz BFBKGNOTXRGSOS-DTWKUNHWSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1ccoc1[C@@H]1CC[C@H](C=O)O1 307001942 345744385 /nfs/dbraw/zinc/74/43/85/345744385.db2.gz BFBKGNOTXRGSOS-BDAKNGLRSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1ccoc1[C@@H]1CC[C@@H](C=O)O1 307001945 345744407 /nfs/dbraw/zinc/74/44/07/345744407.db2.gz BFBKGNOTXRGSOS-IUCAKERBSA-N 0 0 180.203 2.007 10 30 AEEERN Cc1ccoc1[C@H]1CC[C@H](C=O)O1 307001947 345744486 /nfs/dbraw/zinc/74/44/86/345744486.db2.gz BFBKGNOTXRGSOS-RKDXNWHRSA-N 0 0 180.203 2.007 10 30 AEEERN CSCCn1cc(C)c(C#N)c1 307002460 345744807 /nfs/dbraw/zinc/74/48/07/345744807.db2.gz CCMHYRPURLNUPC-UHFFFAOYSA-N 0 0 180.276 2.031 10 30 AEEERN C[C@@H](Nc1ncccc1C#N)C(F)F 307002425 345744944 /nfs/dbraw/zinc/74/49/44/345744944.db2.gz FRALGMOQBVVIRZ-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN C[C@H](Nc1ncccc1C#N)C(F)F 307002423 345745085 /nfs/dbraw/zinc/74/50/85/345745085.db2.gz FRALGMOQBVVIRZ-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN CCOc1c(F)ccc(F)c1C#N 307005220 345746999 /nfs/dbraw/zinc/74/69/99/345746999.db2.gz DKFNDIOBOYCWPS-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN CC#CCOC(=O)c1ccc(Cl)o1 307006536 345747909 /nfs/dbraw/zinc/74/79/09/345747909.db2.gz GEPWURRQXLLAPF-UHFFFAOYSA-N 0 0 198.605 2.113 10 30 AEEERN C=CCCCSCCOC 307007112 345748028 /nfs/dbraw/zinc/74/80/28/345748028.db2.gz GPACPYGFWMWHQI-UHFFFAOYSA-N 0 0 160.282 2.332 10 30 AEEERN O=C(C1=COCC1)c1ccsc1 307008106 345748705 /nfs/dbraw/zinc/74/87/05/345748705.db2.gz GOSAGFRKFLKSKK-UHFFFAOYSA-N 0 0 180.228 2.235 10 30 AEEERN C#CC(=O)C(C)(C)C(C)(C)C 307010597 345750656 /nfs/dbraw/zinc/75/06/56/345750656.db2.gz JVQLVHREORDWBF-UHFFFAOYSA-N 0 0 152.237 2.261 10 30 AEEERN C=C(C)CN(C)c1ccnc(Cl)n1 307012961 345752122 /nfs/dbraw/zinc/75/21/22/345752122.db2.gz LHOVTYRNZAQDDU-UHFFFAOYSA-N 0 0 197.669 2.142 10 30 AEEERN CC(=O)[C@@](C)(C#N)C1CCCC1 307015037 345753712 /nfs/dbraw/zinc/75/37/12/345753712.db2.gz PSGGJMQEKLNGNT-SNVBAGLBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1cccc(C#N)n1 307015346 345753735 /nfs/dbraw/zinc/75/37/35/345753735.db2.gz UBRATKNGAFGWEF-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CC(=O)[C@](C)(C#N)C1CCCC1 307015035 345753868 /nfs/dbraw/zinc/75/38/68/345753868.db2.gz PSGGJMQEKLNGNT-JTQLQIEISA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CC[C@H]1Nc1cccc(C#N)n1 307015345 345754023 /nfs/dbraw/zinc/75/40/23/345754023.db2.gz UBRATKNGAFGWEF-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN CC[C@@H](C#N)N1CC[C@@H](C2CC2)C1 307016153 345754138 /nfs/dbraw/zinc/75/41/38/345754138.db2.gz OOAAODXMAPRPNY-MNOVXSKESA-N 0 0 178.279 2.020 10 30 AEEERN CC[C@H](C#N)N1CC[C@H](C2CC2)C1 307016155 345754189 /nfs/dbraw/zinc/75/41/89/345754189.db2.gz OOAAODXMAPRPNY-WDEREUQCSA-N 0 0 178.279 2.020 10 30 AEEERN CC[C@@H](C#N)N1CC[C@H](C2CC2)C1 307016154 345754406 /nfs/dbraw/zinc/75/44/06/345754406.db2.gz OOAAODXMAPRPNY-QWRGUYRKSA-N 0 0 178.279 2.020 10 30 AEEERN CC[C@H](C#N)N1CC[C@@H](C2CC2)C1 307016152 345754542 /nfs/dbraw/zinc/75/45/42/345754542.db2.gz OOAAODXMAPRPNY-GHMZBOCLSA-N 0 0 178.279 2.020 10 30 AEEERN C=C(C)[C@@H](O)c1ncc(C)s1 307016834 345754859 /nfs/dbraw/zinc/75/48/59/345754859.db2.gz PJNDNMFDFOBGCT-SSDOTTSWSA-N 0 0 169.249 2.061 10 30 AEEERN C=C(C)[C@H](O)c1ncc(C)s1 307016835 345754914 /nfs/dbraw/zinc/75/49/14/345754914.db2.gz PJNDNMFDFOBGCT-ZETCQYMHSA-N 0 0 169.249 2.061 10 30 AEEERN C[C@@H](Nc1ccc(C#N)nc1)C(F)F 307017628 345755565 /nfs/dbraw/zinc/75/55/65/345755565.db2.gz QATWWVDCYNJKKH-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN C[C@H](Nc1ccc(C#N)nc1)C(F)F 307017616 345755681 /nfs/dbraw/zinc/75/56/81/345755681.db2.gz QATWWVDCYNJKKH-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN CCNC(=O)ON=C1CCCCC1 307017170 345755852 /nfs/dbraw/zinc/75/58/52/345755852.db2.gz PQQWNGVXBNBBLH-UHFFFAOYSA-N 0 0 184.239 2.053 10 30 AEEERN C#CCCC1(C#N)CCC1 307018257 345756433 /nfs/dbraw/zinc/75/64/33/345756433.db2.gz TURMRXKIFQMGEY-UHFFFAOYSA-N 0 0 133.194 2.094 10 30 AEEERN CO/N=C/c1cc(Cl)cc(C)c1O 307018579 345756718 /nfs/dbraw/zinc/75/67/18/345756718.db2.gz RBQXAYZJCPBNMK-VZUCSPMQSA-N 0 0 199.637 2.334 10 30 AEEERN CC(=O)/C(C)=C/c1ncc(C)s1 307019326 345757296 /nfs/dbraw/zinc/75/72/96/345757296.db2.gz YEKGHPPSJMCQRZ-GQCTYLIASA-N 0 0 181.260 2.444 10 30 AEEERN C#C[C@H](C)Nc1cscc1C 307021022 345758688 /nfs/dbraw/zinc/75/86/88/345758688.db2.gz UBEQWZFDPZMFBP-QMMMGPOBSA-N 0 0 165.261 2.490 10 30 AEEERN C#C[C@@H](C)Nc1cscc1C 307021017 345758728 /nfs/dbraw/zinc/75/87/28/345758728.db2.gz UBEQWZFDPZMFBP-MRVPVSSYSA-N 0 0 165.261 2.490 10 30 AEEERN Cc1ccc(C#N)c(Cl)c1[N+](=O)[O-] 307021977 345759313 /nfs/dbraw/zinc/75/93/13/345759313.db2.gz BTLPENYSSABMPD-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN CC(C)=CCSCC#N 307023010 345759517 /nfs/dbraw/zinc/75/95/17/345759517.db2.gz FIYZPGFRDHJPLT-UHFFFAOYSA-N 0 0 141.239 2.209 10 30 AEEERN COc1cc(CC#N)c(C)cc1C 307023005 345759626 /nfs/dbraw/zinc/75/96/26/345759626.db2.gz XPYICJMWDUOINT-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN CCOc1cc(F)c(C#N)cc1F 307025134 345761732 /nfs/dbraw/zinc/76/17/32/345761732.db2.gz GSKZLJBNNOXYQU-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN CO[C@]1(C=O)CC(C)(C)C[C@H]1C 307025566 345762221 /nfs/dbraw/zinc/76/22/21/345762221.db2.gz JSVOIEUUJWOTHY-SCZZXKLOSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)CC(C)(C)C[C@@H]1C 307025568 345762441 /nfs/dbraw/zinc/76/24/41/345762441.db2.gz JSVOIEUUJWOTHY-WPRPVWTQSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@@]1(C=O)CC(C)(C)C[C@@H]1C 307025567 345762448 /nfs/dbraw/zinc/76/24/48/345762448.db2.gz JSVOIEUUJWOTHY-WCBMZHEXSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@@]1(C=O)CC(C)(C)C[C@H]1C 307025565 345762618 /nfs/dbraw/zinc/76/26/18/345762618.db2.gz JSVOIEUUJWOTHY-PSASIEDQSA-N 0 0 170.252 2.027 10 30 AEEERN CC(C)(C)Sc1ccc(C#N)nn1 307026976 345762885 /nfs/dbraw/zinc/76/28/85/345762885.db2.gz ZACCUYHRFBDCHC-UHFFFAOYSA-N 0 0 193.275 2.239 10 30 AEEERN C[C@@H](C#N)NC1CCC(F)(F)CC1 307029815 345765632 /nfs/dbraw/zinc/76/56/32/345765632.db2.gz CSNBKVNTQSPAOZ-ZETCQYMHSA-N 0 0 188.221 2.066 10 30 AEEERN Cc1c(C#N)ccnc1C(F)(F)F 307029722 345765781 /nfs/dbraw/zinc/76/57/81/345765781.db2.gz ORFTXUUVSQGLQY-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C[C@H](C#N)NC1CCC(F)(F)CC1 307029813 345765811 /nfs/dbraw/zinc/76/58/11/345765811.db2.gz CSNBKVNTQSPAOZ-SSDOTTSWSA-N 0 0 188.221 2.066 10 30 AEEERN CC1(C)CC(NC2=CC(=O)CC2)C1 307031727 345766610 /nfs/dbraw/zinc/76/66/10/345766610.db2.gz PHMDVRNOJOUGFJ-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN C#CC(=O)c1csc(Cl)c1 307031128 345766659 /nfs/dbraw/zinc/76/66/59/345766659.db2.gz DYSAICKJXASERA-UHFFFAOYSA-N 0 0 170.620 2.217 10 30 AEEERN COc1cc(C)c(C)c(CC#N)c1 307032382 345767235 /nfs/dbraw/zinc/76/72/35/345767235.db2.gz RNTMLPMBTUKIKP-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN CC(C)(C)OCC1(C#N)CCOCC1 307034351 345768219 /nfs/dbraw/zinc/76/82/19/345768219.db2.gz VLOSITOAKJHQSH-UHFFFAOYSA-N 0 0 197.278 2.122 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1cc(C#N)ccn1 307038324 345770469 /nfs/dbraw/zinc/77/04/69/345770469.db2.gz GYRBNKCHJTVIMN-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H]1CC[C@H]1Nc1cc(C#N)ccn1 307038323 345770683 /nfs/dbraw/zinc/77/06/83/345770683.db2.gz GYRBNKCHJTVIMN-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN Cc1cc([N+](=O)[O-])cc(CC#N)c1F 307040020 345771621 /nfs/dbraw/zinc/77/16/21/345771621.db2.gz HWGORAYFWWNECR-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C[C@H](F)CCNc1ccc(C#N)nc1 307039737 345771917 /nfs/dbraw/zinc/77/19/17/345771917.db2.gz QGCGBVZOJYCNOF-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)[C@H](C)[C@@]1(C#N)CCCCN1 307040478 345772188 /nfs/dbraw/zinc/77/21/88/345772188.db2.gz JHNLFHFHYCLNAD-QWRGUYRKSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@@H](C)[C@]1(C#N)CCCCN1 307040476 345772253 /nfs/dbraw/zinc/77/22/53/345772253.db2.gz JHNLFHFHYCLNAD-GHMZBOCLSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@@H](C)[C@@]1(C#N)CCCCN1 307040477 345772317 /nfs/dbraw/zinc/77/23/17/345772317.db2.gz JHNLFHFHYCLNAD-MNOVXSKESA-N 0 0 180.295 2.314 10 30 AEEERN C/C=C(/CC)C(=O)/C=C/C 307040763 345772430 /nfs/dbraw/zinc/77/24/30/345772430.db2.gz QWTGISIKZYWHGE-NIQPXEJBSA-N 0 0 138.210 2.488 10 30 AEEERN CC(C)[C@H](C)[C@]1(C#N)CCCCN1 307040479 345772656 /nfs/dbraw/zinc/77/26/56/345772656.db2.gz JHNLFHFHYCLNAD-WDEREUQCSA-N 0 0 180.295 2.314 10 30 AEEERN O=CC=C(O)[C@H]1CC2CCC1CC2 307041406 345773030 /nfs/dbraw/zinc/77/30/30/345773030.db2.gz RLUHRGIONWNFLE-IJTZMFMRSA-N 0 0 180.247 2.454 10 30 AEEERN O=CC=C(O)[C@@H]1CC2CCC1CC2 307041405 345773167 /nfs/dbraw/zinc/77/31/67/345773167.db2.gz RLUHRGIONWNFLE-GQWPKEPPSA-N 0 0 180.247 2.454 10 30 AEEERN CCC1(CC=O)CCC1 307041806 345773274 /nfs/dbraw/zinc/77/32/74/345773274.db2.gz QLYVEJSNFSUZJT-UHFFFAOYSA-N 0 0 126.199 2.156 10 30 AEEERN C=C(C)[C@H](O)c1ccnc(Cl)c1 307045522 345776298 /nfs/dbraw/zinc/77/62/98/345776298.db2.gz VXPUJYPLSXYCHD-VIFPVBQESA-N 0 0 183.638 2.345 10 30 AEEERN C=C(C)[C@@H](O)c1ccnc(Cl)c1 307045521 345776352 /nfs/dbraw/zinc/77/63/52/345776352.db2.gz VXPUJYPLSXYCHD-SECBINFHSA-N 0 0 183.638 2.345 10 30 AEEERN Cc1ccc(CC#N)c(C)c1[N+](=O)[O-] 307049834 345778616 /nfs/dbraw/zinc/77/86/16/345778616.db2.gz LBKYWRWWYQGKHD-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN CC[C@H](C)[C@@H]1CC[C@](C)(C=O)O1 307092130 345805424 /nfs/dbraw/zinc/80/54/24/345805424.db2.gz ADCCPGWRGNTVHY-LPEHRKFASA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@H](C)[C@H]1CC[C@](C)(C=O)O1 307092129 345805449 /nfs/dbraw/zinc/80/54/49/345805449.db2.gz ADCCPGWRGNTVHY-IVZWLZJFSA-N 0 0 170.252 2.169 10 30 AEEERN CCOc1cc(F)cc(F)c1C#N 307055382 345781819 /nfs/dbraw/zinc/78/18/19/345781819.db2.gz TWHVYHPKHZICDL-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN C[C@H]1C[C@@]2(CO2)c2ccccc21 307060572 345785503 /nfs/dbraw/zinc/78/55/03/345785503.db2.gz JRQMECHVBYZFLE-GZMMTYOYSA-N 0 0 160.216 2.419 10 30 AEEERN C[C@@H]1C[C@]2(CO2)c2ccccc21 307060573 345785656 /nfs/dbraw/zinc/78/56/56/345785656.db2.gz JRQMECHVBYZFLE-KCJUWKMLSA-N 0 0 160.216 2.419 10 30 AEEERN C[C@H]1C[C@]2(CO2)c2ccccc21 307060574 345785719 /nfs/dbraw/zinc/78/57/19/345785719.db2.gz JRQMECHVBYZFLE-KWQFWETISA-N 0 0 160.216 2.419 10 30 AEEERN C[C@@H]1C[C@@]2(CO2)c2ccccc21 307060575 345786514 /nfs/dbraw/zinc/78/65/14/345786514.db2.gz JRQMECHVBYZFLE-LDYMZIIASA-N 0 0 160.216 2.419 10 30 AEEERN N#Cc1cccc(C=O)c1C(F)(F)F 307061584 345787196 /nfs/dbraw/zinc/78/71/96/345787196.db2.gz LOYAOLHRSVZVHC-UHFFFAOYSA-N 0 0 199.131 2.390 10 30 AEEERN C=CC[C@@H]([NH3+])c1sccc1F 307065431 345788881 /nfs/dbraw/zinc/78/88/81/345788881.db2.gz RCAIXTPXOQWYTN-SSDOTTSWSA-N 0 0 171.240 2.463 10 30 AEEERN C=CC[C@H]([NH3+])c1sccc1F 307065433 345789192 /nfs/dbraw/zinc/78/91/92/345789192.db2.gz RCAIXTPXOQWYTN-ZETCQYMHSA-N 0 0 171.240 2.463 10 30 AEEERN CCc1cc([C@@](C)(C#N)CC)ncn1 307065317 345789221 /nfs/dbraw/zinc/78/92/21/345789221.db2.gz QXLKSAOWXMVGON-LLVKDONJSA-N 0 0 189.262 2.230 10 30 AEEERN Fc1cccc(N=NCC2CC2)n1 307066229 345789742 /nfs/dbraw/zinc/78/97/42/345789742.db2.gz TUJIBSZHZZXHGI-IZZDOVSWSA-N 0 0 179.198 2.028 10 30 AEEERN CSc1cc(C#N)c(N)cc1C 307068164 345790972 /nfs/dbraw/zinc/79/09/72/345790972.db2.gz VUVOJDLTVJVJQI-UHFFFAOYSA-N 0 0 178.260 2.171 10 30 AEEERN C=C(C)C(=O)C1(CC)CC1 307068615 345791191 /nfs/dbraw/zinc/79/11/91/345791191.db2.gz XABGHBBKMGZKSP-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN O=C(C1=CCCC1)c1ccns1 307068635 345791311 /nfs/dbraw/zinc/79/13/11/345791311.db2.gz XDMIGYSABFQTDB-UHFFFAOYSA-N 0 0 179.244 2.436 10 30 AEEERN Cc1cnc(C(F)(F)F)cc1C#N 307069733 345791868 /nfs/dbraw/zinc/79/18/68/345791868.db2.gz DCGPDUSJWMDCIV-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C[C@@H](Nc1ccc(C#N)cn1)C(F)F 307071632 345792915 /nfs/dbraw/zinc/79/29/15/345792915.db2.gz GWTAOGJGRPSNTJ-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN C[C@H](Nc1ccc(C#N)cn1)C(F)F 307071631 345792937 /nfs/dbraw/zinc/79/29/37/345792937.db2.gz GWTAOGJGRPSNTJ-LURJTMIESA-N 0 0 197.188 2.019 10 30 AEEERN CC#CCOc1ccc(F)c(F)c1 307073898 345794524 /nfs/dbraw/zinc/79/45/24/345794524.db2.gz AGIRBMRZKHTHEN-UHFFFAOYSA-N 0 0 182.169 2.367 10 30 AEEERN C#Cc1nc[nH]c(=S)c1C(C)C 307073767 345794557 /nfs/dbraw/zinc/79/45/57/345794557.db2.gz DDGGVDATWPSRHD-UHFFFAOYSA-N 0 0 178.260 2.244 10 30 AEEERN CC(=O)c1cc(C#N)cc(F)c1F 307075326 345795294 /nfs/dbraw/zinc/79/52/94/345795294.db2.gz KKGJMZLPOSRRJC-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CC(C)=CC(=O)[C@@]1(C)C[C@@H]1F 307079956 345798030 /nfs/dbraw/zinc/79/80/30/345798030.db2.gz GCLUZSZIRMQHDC-CBAPKCEASA-N 0 0 156.200 2.270 10 30 AEEERN CC(C)=CC(=O)[C@]1(C)C[C@H]1F 307079967 345798053 /nfs/dbraw/zinc/79/80/53/345798053.db2.gz GCLUZSZIRMQHDC-VXNVDRBHSA-N 0 0 156.200 2.270 10 30 AEEERN CC(C)=CC(=O)[C@@]1(C)C[C@H]1F 307079951 345798321 /nfs/dbraw/zinc/79/83/21/345798321.db2.gz GCLUZSZIRMQHDC-APPZFPTMSA-N 0 0 156.200 2.270 10 30 AEEERN CC(C)=CC(=O)[C@]1(C)C[C@@H]1F 307079962 345798356 /nfs/dbraw/zinc/79/83/56/345798356.db2.gz GCLUZSZIRMQHDC-IONNQARKSA-N 0 0 156.200 2.270 10 30 AEEERN C[C@@H]1CC(=O)C=C(C2CC2)C1 307080757 345798777 /nfs/dbraw/zinc/79/87/77/345798777.db2.gz IVEPHFAFAVNLJM-ZETCQYMHSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H]1CC(=O)C=C(C2CC2)C1 307080754 345798815 /nfs/dbraw/zinc/79/88/15/345798815.db2.gz IVEPHFAFAVNLJM-SSDOTTSWSA-N 0 0 150.221 2.322 10 30 AEEERN O=CC[C@H](O)c1sccc1Cl 307082028 345799426 /nfs/dbraw/zinc/79/94/26/345799426.db2.gz PTQLORGOWSSYLQ-LURJTMIESA-N 0 0 190.651 2.024 10 30 AEEERN O=CC[C@@H](O)c1sccc1Cl 307082029 345799508 /nfs/dbraw/zinc/79/95/08/345799508.db2.gz PTQLORGOWSSYLQ-ZCFIWIBFSA-N 0 0 190.651 2.024 10 30 AEEERN Cc1cc(CC#N)cc(F)c1[N+](=O)[O-] 307083663 345800212 /nfs/dbraw/zinc/80/02/12/345800212.db2.gz QWTCZTAZJIYZPS-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CO/N=C(/C)c1ccc(Cl)c(N)c1 307084934 345800547 /nfs/dbraw/zinc/80/05/47/345800547.db2.gz WUZVJPYFSDMMEH-SDQBBNPISA-N 0 0 198.653 2.293 10 30 AEEERN C=C(Cl)CNc1ncc(C)c(C)n1 307085218 345801169 /nfs/dbraw/zinc/80/11/69/345801169.db2.gz XEZUXRNOENWSTN-UHFFFAOYSA-N 0 0 197.669 2.258 10 30 AEEERN C[C@](N)(C#N)[C@@H]1CC2CCC1CC2 307085320 345801250 /nfs/dbraw/zinc/80/12/50/345801250.db2.gz XJTTUFJKTIUPQI-LXKPXOPUSA-N 0 0 178.279 2.054 10 30 AEEERN C[C@](N)(C#N)[C@H]1CC2CCC1CC2 307085322 345801346 /nfs/dbraw/zinc/80/13/46/345801346.db2.gz XJTTUFJKTIUPQI-TVUZUIDESA-N 0 0 178.279 2.054 10 30 AEEERN C#CC(=O)C(C)(C)C1CCC1 307085877 345801759 /nfs/dbraw/zinc/80/17/59/345801759.db2.gz MXESBPFXXQHVSD-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN N#Cc1cnoc1NCc1ccccc1 307085921 345801931 /nfs/dbraw/zinc/80/19/31/345801931.db2.gz YDLOMUIBBAJKAZ-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN Cc1c([N+](=O)[O-])ccc(F)c1CC#N 307087349 345802179 /nfs/dbraw/zinc/80/21/79/345802179.db2.gz RLMRJJDGSKHXBF-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN O=C(C1=CCCC1)c1ccsn1 307091056 345804512 /nfs/dbraw/zinc/80/45/12/345804512.db2.gz WXGHOWRATASJRA-UHFFFAOYSA-N 0 0 179.244 2.436 10 30 AEEERN CC[C@H](C)[C@@H]1CC[C@@](C)(C=O)O1 307092128 345805337 /nfs/dbraw/zinc/80/53/37/345805337.db2.gz ADCCPGWRGNTVHY-GUBZILKMSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@H](C)[C@H]1CC[C@@](C)(C=O)O1 307092127 345805432 /nfs/dbraw/zinc/80/54/32/345805432.db2.gz ADCCPGWRGNTVHY-AEJSXWLSSA-N 0 0 170.252 2.169 10 30 AEEERN CCOc1cc(C#N)c(F)cc1F 307092700 345805949 /nfs/dbraw/zinc/80/59/49/345805949.db2.gz BHTCFMVZZXVIND-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN Cc1ccnc(C#N)c1C(F)(F)F 307093740 345806548 /nfs/dbraw/zinc/80/65/48/345806548.db2.gz DIIOVEJUGDYLNN-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN Cc1cnc(CCS)c(C)c1 307095654 345806838 /nfs/dbraw/zinc/80/68/38/345806838.db2.gz CVILCXCCGYSGME-UHFFFAOYSA-N 0 0 167.277 2.171 10 30 AEEERN Cc1ccc(F)c(F)c1CC#N 307103109 345811340 /nfs/dbraw/zinc/81/13/40/345811340.db2.gz DCDZKGRDEDQSJY-UHFFFAOYSA-N 0 0 167.158 2.339 10 30 AEEERN C#CCCC1=CC(=O)C[C@H](C)C1 307104249 345811882 /nfs/dbraw/zinc/81/18/82/345811882.db2.gz WXRAGEHHFNWRJU-SECBINFHSA-N 0 0 162.232 2.325 10 30 AEEERN C#CCCC1=CC(=O)C[C@@H](C)C1 307104254 345811919 /nfs/dbraw/zinc/81/19/19/345811919.db2.gz WXRAGEHHFNWRJU-VIFPVBQESA-N 0 0 162.232 2.325 10 30 AEEERN C#C[C@@H](C)N(C)c1ccnc(Cl)c1 307105245 345812242 /nfs/dbraw/zinc/81/22/42/345812242.db2.gz CVIFAWLISFKAIF-MRVPVSSYSA-N 0 0 194.665 2.193 10 30 AEEERN C#C[C@H](C)N(C)c1ccnc(Cl)c1 307105246 345812435 /nfs/dbraw/zinc/81/24/35/345812435.db2.gz CVIFAWLISFKAIF-QMMMGPOBSA-N 0 0 194.665 2.193 10 30 AEEERN Cc1nc(N=[N+]=[N-])ccc1C#N 307105328 345812552 /nfs/dbraw/zinc/81/25/52/345812552.db2.gz XRNFOVHTXANUIW-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN C#CC(=O)[C@H]1CC2CCC1CC2 307105898 345812864 /nfs/dbraw/zinc/81/28/64/345812864.db2.gz JPJRQWLTSFBCHT-RTBKNWGFSA-N 0 0 162.232 2.015 10 30 AEEERN C#CC(=O)[C@@H]1CC2CCC1CC2 307105900 345812935 /nfs/dbraw/zinc/81/29/35/345812935.db2.gz JPJRQWLTSFBCHT-UDNWOFFPSA-N 0 0 162.232 2.015 10 30 AEEERN C=CCSc1cccnc1C#N 307106097 345812969 /nfs/dbraw/zinc/81/29/69/345812969.db2.gz DLWJHRXAERAUAA-UHFFFAOYSA-N 0 0 176.244 2.231 10 30 AEEERN N#C[C@]1(CC2=CCCC2)CCCN1 307107916 345813737 /nfs/dbraw/zinc/81/37/37/345813737.db2.gz LLYNMKLAPWQATI-LLVKDONJSA-N 0 0 176.263 2.133 10 30 AEEERN N#C[C@@]1(CC2=CCCC2)CCCN1 307107917 345813757 /nfs/dbraw/zinc/81/37/57/345813757.db2.gz LLYNMKLAPWQATI-NSHDSACASA-N 0 0 176.263 2.133 10 30 AEEERN CC[C@@](C)(C#N)c1ncncc1Cl 307111410 345816170 /nfs/dbraw/zinc/81/61/70/345816170.db2.gz ONRVBZVTPFUTFE-VIFPVBQESA-N 0 0 195.653 2.321 10 30 AEEERN Cc1cc(Cl)cc(CC=O)c1 307112142 345816236 /nfs/dbraw/zinc/81/62/36/345816236.db2.gz OUFVPTXRRFMOPU-UHFFFAOYSA-N 0 0 168.623 2.390 10 30 AEEERN C/C=C/C(=O)c1ccc2c(c1)OCC2 307111964 345816354 /nfs/dbraw/zinc/81/63/54/345816354.db2.gz OQQRFEQSOFHWAZ-NSCUHMNNSA-N 0 0 188.226 2.380 10 30 AEEERN CC[C@](C)(C#N)c1ncncc1Cl 307111408 345816373 /nfs/dbraw/zinc/81/63/73/345816373.db2.gz ONRVBZVTPFUTFE-SECBINFHSA-N 0 0 195.653 2.321 10 30 AEEERN C=CCC(=O)C(C)(C)SC 307112775 345816762 /nfs/dbraw/zinc/81/67/62/345816762.db2.gz QQRDMVBXGLFAKA-UHFFFAOYSA-N 0 0 158.266 2.273 10 30 AEEERN CCOc1cc(F)c(CC#N)cc1F 307114118 345817456 /nfs/dbraw/zinc/81/74/56/345817456.db2.gz SIMGQLHRFLHLIQ-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN Cc1c(C#N)ccc([N+](=O)[O-])c1Cl 307117916 345819744 /nfs/dbraw/zinc/81/97/44/345819744.db2.gz VNXBGOZPWGBOAM-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C#CC(=O)c1csc2c1CCCC2 307119058 345820271 /nfs/dbraw/zinc/82/02/71/345820271.db2.gz YIZVGUFSOHRIIK-UHFFFAOYSA-N 0 0 190.267 2.443 10 30 AEEERN Cc1c([N+](=O)[O-])ccc(CC#N)c1F 307118947 345820068 /nfs/dbraw/zinc/82/00/68/345820068.db2.gz YFWGMKJIAAABCV-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CCOc1cc(F)c(F)c(C#N)c1 307119836 345820191 /nfs/dbraw/zinc/82/01/91/345820191.db2.gz HKABVCBTNUUJQL-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN N#Cc1ccccc1NC1CSC1 307121605 345821395 /nfs/dbraw/zinc/82/13/95/345821395.db2.gz JRJWWFUDNDLQHT-UHFFFAOYSA-N 0 0 190.271 2.086 10 30 AEEERN C=CCSCc1ccon1 307125825 345824204 /nfs/dbraw/zinc/82/42/04/345824204.db2.gz AYQNMEOVLGBDSR-UHFFFAOYSA-N 0 0 155.222 2.094 10 30 AEEERN C#CCNc1nccc2ccsc12 307127760 345825603 /nfs/dbraw/zinc/82/56/03/345825603.db2.gz CNNHUUQCSZULAT-UHFFFAOYSA-N 0 0 188.255 2.341 10 30 AEEERN CC(C=O)=C(O)C(C)(C)C 307129646 345826981 /nfs/dbraw/zinc/82/69/81/345826981.db2.gz FAKORHUAFMVMMJ-AATRIKPKSA-N 0 0 142.198 2.063 10 30 AEEERN Cc1cnc(C)c(C2(C#N)CCC2)n1 307130432 345827354 /nfs/dbraw/zinc/82/73/54/345827354.db2.gz GAWAGQPPBSVXAX-UHFFFAOYSA-N 0 0 187.246 2.039 10 30 AEEERN CC(C)O[C@]1(C#N)CCC[C@@H]2C[C@@H]21 307132262 345828456 /nfs/dbraw/zinc/82/84/56/345828456.db2.gz LOTMTMDNKRBDSG-VWYCJHECSA-N 0 0 179.263 2.494 10 30 AEEERN C/C=C/C(=O)c1ccc(F)c(C#N)c1 307132595 345828703 /nfs/dbraw/zinc/82/87/03/345828703.db2.gz HCGJRQYRXASXTO-NSCUHMNNSA-N 0 0 189.189 2.456 10 30 AEEERN CC(C)O[C@]1(C#N)CCC[C@H]2C[C@H]21 307131902 345828945 /nfs/dbraw/zinc/82/89/45/345828945.db2.gz LOTMTMDNKRBDSG-AXFHLTTASA-N 0 0 179.263 2.494 10 30 AEEERN CC(C=O)=C(O)[C@@H]1CC1(C)C 307133676 345829309 /nfs/dbraw/zinc/82/93/09/345829309.db2.gz XWXGAKVLJKRSMT-XPPMVYLVSA-N 0 0 154.209 2.063 10 30 AEEERN CC(C=O)=C(O)[C@H]1CC1(C)C 307133674 345829519 /nfs/dbraw/zinc/82/95/19/345829519.db2.gz XWXGAKVLJKRSMT-WEWAHIQMSA-N 0 0 154.209 2.063 10 30 AEEERN C#CC[NH2+]Cc1csc(Cl)c1 307133653 345829583 /nfs/dbraw/zinc/82/95/83/345829583.db2.gz NBXMCDGCFTUAEJ-UHFFFAOYSA-N 0 0 185.679 2.124 10 30 AEEERN CCCc1nsc(C2(C#N)CC2)n1 307133495 345829612 /nfs/dbraw/zinc/82/96/12/345829612.db2.gz XWBIKZSJBMYBLA-UHFFFAOYSA-N 0 0 193.275 2.046 10 30 AEEERN C[C@H](F)CCNc1cccc(C#N)n1 307134224 345830147 /nfs/dbraw/zinc/83/01/47/345830147.db2.gz NRTFYNZJPLURMP-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN C[C@@H](F)CCNc1cccc(C#N)n1 307134223 345830223 /nfs/dbraw/zinc/83/02/23/345830223.db2.gz NRTFYNZJPLURMP-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN C/C=C/CNc1cc(C#N)cc(C)n1 307135521 345830714 /nfs/dbraw/zinc/83/07/14/345830714.db2.gz RFPBJYQANPADKA-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C[C@]1(C=O)CC[C@](C)(C2CCC2)O1 307136179 345831332 /nfs/dbraw/zinc/83/13/32/345831332.db2.gz TVTUTGYGRUZGHM-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@]1(C2CCC2)CC[C@](C)(C=O)O1 307136180 345831465 /nfs/dbraw/zinc/83/14/65/345831465.db2.gz TVTUTGYGRUZGHM-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@]1(C=O)CC[C@](C)(C2CCC2)O1 307136182 345831501 /nfs/dbraw/zinc/83/15/01/345831501.db2.gz TVTUTGYGRUZGHM-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@]1(C=O)CC[C@@](C)(C2CCC2)O1 307136181 345831510 /nfs/dbraw/zinc/83/15/10/345831510.db2.gz TVTUTGYGRUZGHM-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@H](C#N)N[C@@H]1CC12CCCCC2 307138246 345832420 /nfs/dbraw/zinc/83/24/20/345832420.db2.gz ZISWVFWKNPWKOV-NXEZZACHSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H](C#N)N[C@H]1CC12CCCCC2 307138249 345832429 /nfs/dbraw/zinc/83/24/29/345832429.db2.gz ZISWVFWKNPWKOV-ZJUUUORDSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CC12CCCCC2 307138248 345832460 /nfs/dbraw/zinc/83/24/60/345832460.db2.gz ZISWVFWKNPWKOV-VHSXEESVSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H](C#N)N[C@H]1CC12CCCCC2 307138247 345832731 /nfs/dbraw/zinc/83/27/31/345832731.db2.gz ZISWVFWKNPWKOV-UWVGGRQHSA-N 0 0 178.279 2.211 10 30 AEEERN C#C[C@@H](O)[C@H]1CC[C@H](CC)CC1 307139223 345832984 /nfs/dbraw/zinc/83/29/84/345832984.db2.gz CKKQMLDTFZBMIV-GMTAPVOTSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@H](O)[C@H]1CC[C@H](CC)CC1 307139221 345833433 /nfs/dbraw/zinc/83/34/33/345833433.db2.gz CKKQMLDTFZBMIV-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN C[C@@H]1CC(=O)C=C(c2cccnc2)C1 307141676 345835149 /nfs/dbraw/zinc/83/51/49/345835149.db2.gz DINJDFRZOWMQOD-VIFPVBQESA-N 0 0 187.242 2.464 10 30 AEEERN C[C@H]1CC(=O)C=C(c2cccnc2)C1 307141674 345835219 /nfs/dbraw/zinc/83/52/19/345835219.db2.gz DINJDFRZOWMQOD-SECBINFHSA-N 0 0 187.242 2.464 10 30 AEEERN CC(C)N=Nc1cccc(C#N)c1 307142845 345836282 /nfs/dbraw/zinc/83/62/82/345836282.db2.gz FEVLORZXNBBPLE-UHFFFAOYSA-N 0 0 173.219 2.366 10 30 AEEERN CC(C)Cc1cc(C#N)c(N)s1 307143038 345836397 /nfs/dbraw/zinc/83/63/97/345836397.db2.gz KIHMWXVPKJOJJJ-UHFFFAOYSA-N 0 0 180.276 2.400 10 30 AEEERN Cc1cccc(C#N)c1NCCF 307143291 345836929 /nfs/dbraw/zinc/83/69/29/345836929.db2.gz KXJIDGKZVMPWMD-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN CC[C@@]1(C2CCC2)CC(=O)C=CO1 307144479 345837596 /nfs/dbraw/zinc/83/75/96/345837596.db2.gz LVMKZJRMAOHMSS-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN CC[C@]1(C2CCC2)CC(=O)C=CO1 307144478 345837614 /nfs/dbraw/zinc/83/76/14/345837614.db2.gz LVMKZJRMAOHMSS-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN Cc1cc([C@H]2CO2)cs1 307144429 345837691 /nfs/dbraw/zinc/83/76/91/345837691.db2.gz ADJACOGVCQLTKY-SSDOTTSWSA-N 0 0 140.207 2.128 10 30 AEEERN CC1([C@H](N)C#N)CCCCCC1 307145064 345838080 /nfs/dbraw/zinc/83/80/80/345838080.db2.gz AUALFFXIIMBXHQ-SECBINFHSA-N 0 0 166.268 2.198 10 30 AEEERN CC1([C@@H](N)C#N)CCCCCC1 307145065 345838206 /nfs/dbraw/zinc/83/82/06/345838206.db2.gz AUALFFXIIMBXHQ-VIFPVBQESA-N 0 0 166.268 2.198 10 30 AEEERN CC(C)CN[C@]1(C#N)CCC[C@@H]2C[C@@H]21 307145675 345838787 /nfs/dbraw/zinc/83/87/87/345838787.db2.gz NCCAVXMJLMCALU-WOPDTQHZSA-N 0 0 192.306 2.314 10 30 AEEERN CC(C)CN[C@]1(C#N)CCC[C@H]2C[C@H]21 307145673 345838997 /nfs/dbraw/zinc/83/89/97/345838997.db2.gz NCCAVXMJLMCALU-TUAOUCFPSA-N 0 0 192.306 2.314 10 30 AEEERN C=C(Cl)C[S@@](=O)C/C=C/C 307145948 345839385 /nfs/dbraw/zinc/83/93/85/345839385.db2.gz GREHVDRNAKFRLM-FSIBCCDJSA-N 0 0 178.684 2.064 10 30 AEEERN C=C(Cl)C[S@](=O)C/C=C/C 307145949 345839582 /nfs/dbraw/zinc/83/95/82/345839582.db2.gz GREHVDRNAKFRLM-HMDXOVGESA-N 0 0 178.684 2.064 10 30 AEEERN C=C(C)CC(=O)NC1(C)CCC1 307146276 345839644 /nfs/dbraw/zinc/83/96/44/345839644.db2.gz NGGCGNSEQUCIJV-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN Cc1ccc(C#N)c([N+](=O)[O-])c1Cl 307147012 345839964 /nfs/dbraw/zinc/83/99/64/345839964.db2.gz HMTODOXCDHSZPG-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN N#Cc1ccccc1C(=O)C(F)F 307148542 345841491 /nfs/dbraw/zinc/84/14/91/345841491.db2.gz PNVQXWRFTJITHA-UHFFFAOYSA-N 0 0 181.141 2.006 10 30 AEEERN C=CC(=O)c1ccc(F)cc1OC 307151331 345843474 /nfs/dbraw/zinc/84/34/74/345843474.db2.gz CXBCBPHCCUFQME-UHFFFAOYSA-N 0 0 180.178 2.203 10 30 AEEERN N#Cc1cc(C(=O)C(F)F)ccc1F 307155232 345847196 /nfs/dbraw/zinc/84/71/96/345847196.db2.gz DRMKBUJMVPLJDV-UHFFFAOYSA-N 0 0 199.131 2.145 10 30 AEEERN C=CC(=O)c1cnc(C)cc1C 307155833 345847799 /nfs/dbraw/zinc/84/77/99/345847799.db2.gz WDMKXDVKHZNJRU-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN CC[C@H](O)C[C@]1(C#N)CC[C@@H](C)C1 307158096 345849438 /nfs/dbraw/zinc/84/94/38/345849438.db2.gz YWGKQTKRMAPCCE-VWYCJHECSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)C[C@@]1(C#N)CC[C@@H](C)C1 307158095 345849515 /nfs/dbraw/zinc/84/95/15/345849515.db2.gz YWGKQTKRMAPCCE-OUAUKWLOSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)C[C@@]1(C#N)CC[C@H](C)C1 307158094 345849845 /nfs/dbraw/zinc/84/98/45/345849845.db2.gz YWGKQTKRMAPCCE-GARJFASQSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@H](O)C[C@]1(C#N)CC[C@H](C)C1 307158093 345849861 /nfs/dbraw/zinc/84/98/61/345849861.db2.gz YWGKQTKRMAPCCE-DCAQKATOSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1occc1[C@H]1CC(=O)C=CO1 307158194 345850400 /nfs/dbraw/zinc/85/04/00/345850400.db2.gz RUTJOKQUFATZFE-SNVBAGLBSA-N 0 0 178.187 2.132 10 30 AEEERN Cc1occc1[C@@H]1CC(=O)C=CO1 307158193 345850571 /nfs/dbraw/zinc/85/05/71/345850571.db2.gz RUTJOKQUFATZFE-JTQLQIEISA-N 0 0 178.187 2.132 10 30 AEEERN N#CC1(C[C@@H]2CCC[C@H](O)C2)CC1 307160876 345853310 /nfs/dbraw/zinc/85/33/10/345853310.db2.gz KDSPQHUMXMYFFG-ZJUUUORDSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1(C[C@H]2CCC[C@@H](O)C2)CC1 307160875 345853472 /nfs/dbraw/zinc/85/34/72/345853472.db2.gz KDSPQHUMXMYFFG-VHSXEESVSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1(C[C@@H]2CCC[C@@H](O)C2)CC1 307160873 345853476 /nfs/dbraw/zinc/85/34/76/345853476.db2.gz KDSPQHUMXMYFFG-NXEZZACHSA-N 0 0 179.263 2.231 10 30 AEEERN N#CC1(C[C@H]2CCC[C@H](O)C2)CC1 307160874 345853491 /nfs/dbraw/zinc/85/34/91/345853491.db2.gz KDSPQHUMXMYFFG-UWVGGRQHSA-N 0 0 179.263 2.231 10 30 AEEERN O=C1CCC=C1c1cccs1 307163002 345854755 /nfs/dbraw/zinc/85/47/55/345854755.db2.gz IBTPZSDLCDQEBX-UHFFFAOYSA-N 0 0 164.229 2.494 10 30 AEEERN O=C1CCCC=C1c1ccncc1 307165945 345857842 /nfs/dbraw/zinc/85/78/42/345857842.db2.gz NRAJQOHIUWHAOF-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C=C(C)C[C@H](O)C1CC(F)(F)C1 307166517 345858179 /nfs/dbraw/zinc/85/81/79/345858179.db2.gz PDBSVEHAXGKTNA-QMMMGPOBSA-N 0 0 176.206 2.359 10 30 AEEERN CC#CCCSc1nccc(C)n1 307166372 345858332 /nfs/dbraw/zinc/85/83/32/345858332.db2.gz OXCDRSCYYWRJJS-UHFFFAOYSA-N 0 0 192.287 2.291 10 30 AEEERN C=C(C)C[C@@H](O)C1CC(F)(F)C1 307166516 345858492 /nfs/dbraw/zinc/85/84/92/345858492.db2.gz PDBSVEHAXGKTNA-MRVPVSSYSA-N 0 0 176.206 2.359 10 30 AEEERN N#CC1(CCC2CC2)CCOCC1 307166884 345859322 /nfs/dbraw/zinc/85/93/22/345859322.db2.gz QEYPRNIYGFFSFP-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN C[C@H](CC#N)N1CC(C2CCC2)C1 307167491 345859546 /nfs/dbraw/zinc/85/95/46/345859546.db2.gz RRYSQFBDLXCWGT-SECBINFHSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@@H](CC#N)N1CC(C2CCC2)C1 307167492 345859655 /nfs/dbraw/zinc/85/96/55/345859655.db2.gz RRYSQFBDLXCWGT-VIFPVBQESA-N 0 0 178.279 2.020 10 30 AEEERN C#C[C@@H](C)Nc1ncc(C)cc1C 307167552 345859856 /nfs/dbraw/zinc/85/98/56/345859856.db2.gz RXZLMKAMTGXURW-SNVBAGLBSA-N 0 0 174.247 2.132 10 30 AEEERN N#CC1([C@@]2(O)CCCC23CCC3)CC1 307167961 345860247 /nfs/dbraw/zinc/86/02/47/345860247.db2.gz SXWREXIPWHPCLX-GFCCVEGCSA-N 0 0 191.274 2.375 10 30 AEEERN N#CC1([C@]2(O)CCCC23CCC3)CC1 307167962 345860270 /nfs/dbraw/zinc/86/02/70/345860270.db2.gz SXWREXIPWHPCLX-LBPRGKRZSA-N 0 0 191.274 2.375 10 30 AEEERN COCOc1cc(Cl)cc(C#N)c1 307167935 345860429 /nfs/dbraw/zinc/86/04/29/345860429.db2.gz SVSXVSGBFXCZNG-UHFFFAOYSA-N 0 0 197.621 2.194 10 30 AEEERN C[C@H](C#N)[C@@]1(O)CCCC12CCC2 307168795 345860929 /nfs/dbraw/zinc/86/09/29/345860929.db2.gz VZFRHLXARLPZRA-KOLCDFICSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCCC12CCC2 307168797 345860938 /nfs/dbraw/zinc/86/09/38/345860938.db2.gz VZFRHLXARLPZRA-ONGXEEELSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H](C#N)[C@]1(O)CCCC12CCC2 307168794 345861086 /nfs/dbraw/zinc/86/10/86/345861086.db2.gz VZFRHLXARLPZRA-GXSJLCMTSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCCC12CCC2 307168796 345861237 /nfs/dbraw/zinc/86/12/37/345861237.db2.gz VZFRHLXARLPZRA-MWLCHTKSSA-N 0 0 179.263 2.231 10 30 AEEERN CC(C)N=Nc1nnc(C2CC2)s1 307169018 345861703 /nfs/dbraw/zinc/86/17/03/345861703.db2.gz WSYXJOHWDNUODM-UHFFFAOYSA-N 0 0 196.279 2.223 10 30 AEEERN C#Cc1ccnn1CCC(C)(C)C 307169519 345862116 /nfs/dbraw/zinc/86/21/16/345862116.db2.gz YJKHULAEBSJAOY-UHFFFAOYSA-N 0 0 176.263 2.301 10 30 AEEERN CC#C[C@H](O)[C@H]1CCCC[C@@H]1C 307169280 345862150 /nfs/dbraw/zinc/86/21/50/345862150.db2.gz XRDIETZSKYPHKN-DCAQKATOSA-N 0 0 166.264 2.197 10 30 AEEERN CC#C[C@H](O)[C@H]1CCCC[C@H]1C 307169282 345862429 /nfs/dbraw/zinc/86/24/29/345862429.db2.gz XRDIETZSKYPHKN-VWYCJHECSA-N 0 0 166.264 2.197 10 30 AEEERN CC#C[C@H](O)[C@@H]1CCCC[C@@H]1C 307169279 345862441 /nfs/dbraw/zinc/86/24/41/345862441.db2.gz XRDIETZSKYPHKN-AXFHLTTASA-N 0 0 166.264 2.197 10 30 AEEERN CC#C[C@H](O)[C@@H]1CCCC[C@H]1C 307169281 345862461 /nfs/dbraw/zinc/86/24/61/345862461.db2.gz XRDIETZSKYPHKN-MXWKQRLJSA-N 0 0 166.264 2.197 10 30 AEEERN Cc1ccc(NCC2CC2)nc1C#N 307170301 345862985 /nfs/dbraw/zinc/86/29/85/345862985.db2.gz APMURDSLPLKPRH-UHFFFAOYSA-N 0 0 187.246 2.084 10 30 AEEERN C[C@@H](F)CCNc1ccncc1C#N 307172070 345864388 /nfs/dbraw/zinc/86/43/88/345864388.db2.gz HMLZDWPPUFQDJA-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN C=CCSc1cnccc1C#N 307171941 345864454 /nfs/dbraw/zinc/86/44/54/345864454.db2.gz HJGGPPBNTXORCL-UHFFFAOYSA-N 0 0 176.244 2.231 10 30 AEEERN C[C@H](F)CCNc1ccncc1C#N 307172080 345864456 /nfs/dbraw/zinc/86/44/56/345864456.db2.gz HMLZDWPPUFQDJA-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)=CC(=O)C(C)(F)F 307173401 345864616 /nfs/dbraw/zinc/86/46/16/345864616.db2.gz RHMJDMNFBCNWCI-UHFFFAOYSA-N 0 0 148.152 2.177 10 30 AEEERN C=C(C)C(=O)c1ccc(C)cn1 307175982 345866955 /nfs/dbraw/zinc/86/69/55/345866955.db2.gz GNDQLTDMGFCEGB-UHFFFAOYSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(C)CC1(C#N)CC1 307177076 345867293 /nfs/dbraw/zinc/86/72/93/345867293.db2.gz ZRMBBFFEYOOGMV-UHFFFAOYSA-N 0 0 121.183 2.256 10 30 AEEERN C[C@H](C#N)[C@@H](C)Nc1cccnc1 307179271 345868956 /nfs/dbraw/zinc/86/89/56/345868956.db2.gz IDYFULSFVFKQFT-RKDXNWHRSA-N 0 0 175.235 2.042 10 30 AEEERN C[C@H](Nc1cccnc1)[C@@H](C)C#N 307179270 345868960 /nfs/dbraw/zinc/86/89/60/345868960.db2.gz IDYFULSFVFKQFT-IUCAKERBSA-N 0 0 175.235 2.042 10 30 AEEERN C[C@@H](C#N)[C@@H](C)Nc1cccnc1 307179269 345868971 /nfs/dbraw/zinc/86/89/71/345868971.db2.gz IDYFULSFVFKQFT-DTWKUNHWSA-N 0 0 175.235 2.042 10 30 AEEERN C[C@H](C#N)[C@H](C)Nc1cccnc1 307179268 345869077 /nfs/dbraw/zinc/86/90/77/345869077.db2.gz IDYFULSFVFKQFT-BDAKNGLRSA-N 0 0 175.235 2.042 10 30 AEEERN CCOc1c(F)ccc(F)c1CC#N 307179267 345869292 /nfs/dbraw/zinc/86/92/92/345869292.db2.gz IDXUOBWFODFAIP-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN C[C@]1(O)CCC[C@@H]1C1(C#N)CCC1 307180352 345869603 /nfs/dbraw/zinc/86/96/03/345869603.db2.gz OBNKPQUKAMFHHB-UWVGGRQHSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@]1(C=O)CC[C@@H](C2CCCC2)O1 307180615 345869606 /nfs/dbraw/zinc/86/96/06/345869606.db2.gz OMWAHPNFAGEFAY-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@]1(C=O)CC[C@H](C2CCCC2)O1 307180609 345869638 /nfs/dbraw/zinc/86/96/38/345869638.db2.gz OMWAHPNFAGEFAY-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@]1(O)CCC[C@@H]1C1(C#N)CCC1 307180354 345869643 /nfs/dbraw/zinc/86/96/43/345869643.db2.gz OBNKPQUKAMFHHB-VHSXEESVSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@]1(O)CCC[C@H]1C1(C#N)CCC1 307180355 345869654 /nfs/dbraw/zinc/86/96/54/345869654.db2.gz OBNKPQUKAMFHHB-ZJUUUORDSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@]1(O)CCC[C@H]1C1(C#N)CCC1 307180351 345869984 /nfs/dbraw/zinc/86/99/84/345869984.db2.gz OBNKPQUKAMFHHB-NXEZZACHSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@]1(C=O)CC[C@@H](C2CCCC2)O1 307180613 345869997 /nfs/dbraw/zinc/86/99/97/345869997.db2.gz OMWAHPNFAGEFAY-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@]1(C=O)CC[C@H](C2CCCC2)O1 307180611 345870001 /nfs/dbraw/zinc/87/00/01/345870001.db2.gz OMWAHPNFAGEFAY-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN O=C(C[C@H]1CCOC1)C1=CCCC1 307180906 345870322 /nfs/dbraw/zinc/87/03/22/345870322.db2.gz MAIXCBKWTGXFSE-SECBINFHSA-N 0 0 180.247 2.092 10 30 AEEERN O=C(C[C@@H]1CCOC1)C1=CCCC1 307180907 345870645 /nfs/dbraw/zinc/87/06/45/345870645.db2.gz MAIXCBKWTGXFSE-VIFPVBQESA-N 0 0 180.247 2.092 10 30 AEEERN N#C[C@@]1(CCF)CCCS1 307181475 345870877 /nfs/dbraw/zinc/87/08/77/345870877.db2.gz RNJYTYQMOVAFRX-ZETCQYMHSA-N 0 0 159.229 2.135 10 30 AEEERN Cc1c(F)cc([N+](=O)[O-])cc1CC#N 307182043 345871081 /nfs/dbraw/zinc/87/10/81/345871081.db2.gz SOARNIRHKVWQTA-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN N#C[C@]1(CCF)CCCS1 307181474 345871143 /nfs/dbraw/zinc/87/11/43/345871143.db2.gz RNJYTYQMOVAFRX-SSDOTTSWSA-N 0 0 159.229 2.135 10 30 AEEERN O=C(C1=CCCC1)c1ccc[nH]1 307182098 345871303 /nfs/dbraw/zinc/87/13/03/345871303.db2.gz SWMWHOJBMNIWRL-UHFFFAOYSA-N 0 0 161.204 2.308 10 30 AEEERN CC#CCNc1ccc(C#N)cc1C 307182442 345871596 /nfs/dbraw/zinc/87/15/96/345871596.db2.gz OCLTZOFBWFZVQL-UHFFFAOYSA-N 0 0 184.242 2.302 10 30 AEEERN C[C@@H]1CC[C@]12CC[C@@H](CC#N)O2 307184664 345873067 /nfs/dbraw/zinc/87/30/67/345873067.db2.gz FQBWCRRXBPDKHJ-UTLUCORTSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CC[C@@]12CC[C@H](CC#N)O2 307184663 345873148 /nfs/dbraw/zinc/87/31/48/345873148.db2.gz FQBWCRRXBPDKHJ-OPRDCNLKSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CC[C@]12CC[C@H](CC#N)O2 307184661 345873196 /nfs/dbraw/zinc/87/31/96/345873196.db2.gz FQBWCRRXBPDKHJ-BBBLOLIVSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CC[C@@]12CC[C@@H](CC#N)O2 307184662 345873239 /nfs/dbraw/zinc/87/32/39/345873239.db2.gz FQBWCRRXBPDKHJ-KXUCPTDWSA-N 0 0 165.236 2.248 10 30 AEEERN C/C(=C\Cl)C[C@@]1(C#N)CCOC1 307185594 345873605 /nfs/dbraw/zinc/87/36/05/345873605.db2.gz SGYNUMQRNWCZIG-WHXYTISESA-N 0 0 185.654 2.449 10 30 AEEERN O=C1CCCC=C1c1ccsn1 307185724 345873649 /nfs/dbraw/zinc/87/36/49/345873649.db2.gz JUAPEBYYSNBNDL-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN CC(=O)c1cc(F)c(F)cc1C#N 307185326 345873658 /nfs/dbraw/zinc/87/36/58/345873658.db2.gz IAYPISWRLCUVDJ-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN O=C[C@H]1CC[C@@H](c2cccs2)O1 307186028 345873679 /nfs/dbraw/zinc/87/36/79/345873679.db2.gz KTDCHPVWABYNOW-SFYZADRCSA-N 0 0 182.244 2.167 10 30 AEEERN O=C[C@@H]1CC[C@@H](c2cccs2)O1 307186029 345873787 /nfs/dbraw/zinc/87/37/87/345873787.db2.gz KTDCHPVWABYNOW-YUMQZZPRSA-N 0 0 182.244 2.167 10 30 AEEERN C/C(=C\Cl)C[C@]1(C#N)CCOC1 307185593 345873791 /nfs/dbraw/zinc/87/37/91/345873791.db2.gz SGYNUMQRNWCZIG-QRJSTWQJSA-N 0 0 185.654 2.449 10 30 AEEERN O=C[C@@H]1CC[C@H](c2cccs2)O1 307186027 345873895 /nfs/dbraw/zinc/87/38/95/345873895.db2.gz KTDCHPVWABYNOW-JGVFFNPUSA-N 0 0 182.244 2.167 10 30 AEEERN O=C[C@H]1CC[C@H](c2cccs2)O1 307186026 345873907 /nfs/dbraw/zinc/87/39/07/345873907.db2.gz KTDCHPVWABYNOW-HTQZYQBOSA-N 0 0 182.244 2.167 10 30 AEEERN Cc1cc(CS)cc(Cl)n1 307186540 345874423 /nfs/dbraw/zinc/87/44/23/345874423.db2.gz MFKWSEYRDUZTBF-UHFFFAOYSA-N 0 0 173.668 2.473 10 30 AEEERN CC#C[C@@H](O)c1cc2ccccc2o1 307188149 345874885 /nfs/dbraw/zinc/87/48/85/345874885.db2.gz AXYBZXPQJJNXPJ-SNVBAGLBSA-N 0 0 186.210 2.490 10 30 AEEERN Cc1ccc(Cl)c([C@](C)(O)C=O)c1 307187547 345874926 /nfs/dbraw/zinc/87/49/26/345874926.db2.gz PPESKHGNKZVDOL-SNVBAGLBSA-N 0 0 198.649 2.055 10 30 AEEERN Cc1ccc(Cl)c([C@@](C)(O)C=O)c1 307187546 345875119 /nfs/dbraw/zinc/87/51/19/345875119.db2.gz PPESKHGNKZVDOL-JTQLQIEISA-N 0 0 198.649 2.055 10 30 AEEERN N#C[C@@H]1O[C@@]12CCCC21CCCC1 307189158 345876078 /nfs/dbraw/zinc/87/60/78/345876078.db2.gz XTLWWRIEVYEMCL-ONGXEEELSA-N 0 0 177.247 2.392 10 30 AEEERN N#C[C@@H]1O[C@]12CCCC21CCCC1 307189155 345876082 /nfs/dbraw/zinc/87/60/82/345876082.db2.gz XTLWWRIEVYEMCL-GXSJLCMTSA-N 0 0 177.247 2.392 10 30 AEEERN C[C@@]1(C(=O)C2=COCC2)CCCS1 307189165 345876129 /nfs/dbraw/zinc/87/61/29/345876129.db2.gz XVBAMZKELIQWGQ-JTQLQIEISA-N 0 0 198.287 2.145 10 30 AEEERN C[C@]1(C(=O)C2=COCC2)CCCS1 307189166 345876198 /nfs/dbraw/zinc/87/61/98/345876198.db2.gz XVBAMZKELIQWGQ-SNVBAGLBSA-N 0 0 198.287 2.145 10 30 AEEERN N#C[C@H]1O[C@@]12CCCC21CCCC1 307189156 345876213 /nfs/dbraw/zinc/87/62/13/345876213.db2.gz XTLWWRIEVYEMCL-KOLCDFICSA-N 0 0 177.247 2.392 10 30 AEEERN N#C[C@H]1O[C@]12CCCC21CCCC1 307189157 345876240 /nfs/dbraw/zinc/87/62/40/345876240.db2.gz XTLWWRIEVYEMCL-MWLCHTKSSA-N 0 0 177.247 2.392 10 30 AEEERN Cc1ccc(CC#N)c([N+](=O)[O-])c1C 307190478 345876553 /nfs/dbraw/zinc/87/65/53/345876553.db2.gz XRRZRSWPAQRBRQ-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN C#Cc1n[nH]c(=S)c2ccccc12 307190930 345876688 /nfs/dbraw/zinc/87/66/88/345876688.db2.gz AHPACBGMGSVFRF-UHFFFAOYSA-N 0 0 186.239 2.274 10 30 AEEERN O=C1CCCC=C1Cc1nccs1 307191265 345877320 /nfs/dbraw/zinc/87/73/20/345877320.db2.gz ZFUOLVKGHZNYSK-UHFFFAOYSA-N 0 0 193.271 2.365 10 30 AEEERN CC(C)n1ccc(CC2(C#N)CC2)n1 307191849 345878060 /nfs/dbraw/zinc/87/80/60/345878060.db2.gz BUUMOEGDTJWWHP-UHFFFAOYSA-N 0 0 189.262 2.310 10 30 AEEERN C#C[C@H](C)Nc1noc2ccccc12 307192898 345878482 /nfs/dbraw/zinc/87/84/82/345878482.db2.gz DQAQLZPLRPESIN-QMMMGPOBSA-N 0 0 186.214 2.261 10 30 AEEERN O=C1CCCC=C1c1ccccn1 307192544 345878496 /nfs/dbraw/zinc/87/84/96/345878496.db2.gz DEDKPPSSWQEIPH-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN C#C[C@@H](C)Nc1noc2ccccc12 307192896 345878704 /nfs/dbraw/zinc/87/87/04/345878704.db2.gz DQAQLZPLRPESIN-MRVPVSSYSA-N 0 0 186.214 2.261 10 30 AEEERN N#Cc1cccc(NCC2(F)CC2)c1 307194427 345879852 /nfs/dbraw/zinc/87/98/52/345879852.db2.gz PNEBJPNBDOCZCX-UHFFFAOYSA-N 0 0 190.221 2.472 10 30 AEEERN N#CCNc1ccc(Cl)c(C#N)c1 307194329 345880039 /nfs/dbraw/zinc/88/00/39/345880039.db2.gz PCDVIXCWBKXZFJ-UHFFFAOYSA-N 0 0 191.621 2.147 10 30 AEEERN CC(C)(NC1=CC(=O)CC1)C1CCC1 307193807 345880077 /nfs/dbraw/zinc/88/00/77/345880077.db2.gz HDHBKQJYRXKFMZ-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN CSC(C)(C)C(=O)C1=COCC1 307195147 345881169 /nfs/dbraw/zinc/88/11/69/345881169.db2.gz LHMVNKNVVOZNQQ-UHFFFAOYSA-N 0 0 186.276 2.001 10 30 AEEERN Cc1cnn(C)c1C(=O)C1=CCCC1 307195615 345881179 /nfs/dbraw/zinc/88/11/79/345881179.db2.gz MQNQJSVYEBUXQV-UHFFFAOYSA-N 0 0 190.246 2.022 10 30 AEEERN C=C(C)C(=O)c1ccc(F)c(C#N)c1 307195819 345881421 /nfs/dbraw/zinc/88/14/21/345881421.db2.gz SDJXIPRQIQLNAF-UHFFFAOYSA-N 0 0 189.189 2.456 10 30 AEEERN Cc1cc(CN(C)[C@H](C)C#N)cs1 307198708 345884248 /nfs/dbraw/zinc/88/42/48/345884248.db2.gz YKGSIKNOJOQTEA-MRVPVSSYSA-N 0 0 194.303 2.400 10 30 AEEERN Cc1cc(CN(C)[C@@H](C)C#N)cs1 307198709 345884631 /nfs/dbraw/zinc/88/46/31/345884631.db2.gz YKGSIKNOJOQTEA-QMMMGPOBSA-N 0 0 194.303 2.400 10 30 AEEERN C#CCNc1ccc2ccoc2c1 307200406 345885703 /nfs/dbraw/zinc/88/57/03/345885703.db2.gz DBXNTLZCDCLZKI-UHFFFAOYSA-N 0 0 171.199 2.478 10 30 AEEERN C=C(C(=O)C1CC1)C(F)(F)F 307201854 345886311 /nfs/dbraw/zinc/88/63/11/345886311.db2.gz DGPHMFNYWIGJDG-UHFFFAOYSA-N 0 0 164.126 2.084 10 30 AEEERN C=C(Cl)CNc1ccncc1C#N 307202976 345887664 /nfs/dbraw/zinc/88/76/64/345887664.db2.gz DPTHIGDYXZPKSF-UHFFFAOYSA-N 0 0 193.637 2.118 10 30 AEEERN C=C(C)C(=O)c1cnc(C)cc1C 307207640 345891467 /nfs/dbraw/zinc/89/14/67/345891467.db2.gz JMNNBFLLZRUHKV-UHFFFAOYSA-N 0 0 175.231 2.457 10 30 AEEERN C[C@H]1CCCC[C@@H]1NC(C)(C)C#N 307209463 345892577 /nfs/dbraw/zinc/89/25/77/345892577.db2.gz PFVYCUQHRMWSKB-UWVGGRQHSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H]1CCCC[C@H]1NC(C)(C)C#N 307209457 345892579 /nfs/dbraw/zinc/89/25/79/345892579.db2.gz PFVYCUQHRMWSKB-NXEZZACHSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1CCCC[C@H]1NC(C)(C)C#N 307209471 345892805 /nfs/dbraw/zinc/89/28/05/345892805.db2.gz PFVYCUQHRMWSKB-VHSXEESVSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@@H]1CCCC[C@@H]1NC(C)(C)C#N 307209489 345892882 /nfs/dbraw/zinc/89/28/82/345892882.db2.gz PFVYCUQHRMWSKB-ZJUUUORDSA-N 0 0 180.295 2.457 10 30 AEEERN N#Cc1cncc(C2=CCCCC2=O)c1 307209828 345893532 /nfs/dbraw/zinc/89/35/32/345893532.db2.gz PQUOKWNLMRYKLK-UHFFFAOYSA-N 0 0 198.225 2.090 10 30 AEEERN CC(C)(C)[C@H](O)CC1(C#N)CCC1 307212194 345894817 /nfs/dbraw/zinc/89/48/17/345894817.db2.gz VDCXTOXNZGRXBO-SECBINFHSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C)[C@@H](O)CC1(C#N)CCC1 307212197 345895183 /nfs/dbraw/zinc/89/51/83/345895183.db2.gz VDCXTOXNZGRXBO-VIFPVBQESA-N 0 0 181.279 2.477 10 30 AEEERN C1CCN(N=C2CCCC2)CC1 307213793 345896260 /nfs/dbraw/zinc/89/62/60/345896260.db2.gz YPOVGGZQKXJFKQ-UHFFFAOYSA-N 0 0 166.268 2.402 10 30 AEEERN Cc1ccc(NC2CCC2)nc1C#N 307216446 345897931 /nfs/dbraw/zinc/89/79/31/345897931.db2.gz FMNUPBXVKZOJNJ-UHFFFAOYSA-N 0 0 187.246 2.226 10 30 AEEERN C=CCC(=O)C1CC(F)(F)C1 307220354 345900408 /nfs/dbraw/zinc/90/04/08/345900408.db2.gz HSBBRRHEMVRCEF-UHFFFAOYSA-N 0 0 160.163 2.177 10 30 AEEERN CN[C@@]1(C#N)CCCC12CCCC2 307223684 345902194 /nfs/dbraw/zinc/90/21/94/345902194.db2.gz ZXYONTJUQOFFFQ-LLVKDONJSA-N 0 0 178.279 2.212 10 30 AEEERN C#C[C@@H](O)[C@H]1CCC[C@H](CC)C1 307224147 345902269 /nfs/dbraw/zinc/90/22/69/345902269.db2.gz SIWPHLZDNSHBCU-GARJFASQSA-N 0 0 166.264 2.197 10 30 AEEERN C#C[C@@H](O)[C@@H]1CCC[C@@H](CC)C1 307224148 345902272 /nfs/dbraw/zinc/90/22/72/345902272.db2.gz SIWPHLZDNSHBCU-GMTAPVOTSA-N 0 0 166.264 2.197 10 30 AEEERN CN[C@]1(C#N)CCCC12CCCC2 307223685 345902351 /nfs/dbraw/zinc/90/23/51/345902351.db2.gz ZXYONTJUQOFFFQ-NSHDSACASA-N 0 0 178.279 2.212 10 30 AEEERN C#Cc1nc[nH]c(=S)c1CCC 307223241 345902438 /nfs/dbraw/zinc/90/24/38/345902438.db2.gz ROGPUJVQRDPEKA-UHFFFAOYSA-N 0 0 178.260 2.073 10 30 AEEERN C#C[C@@H](O)[C@@H]1CCC[C@H](CC)C1 307224149 345902434 /nfs/dbraw/zinc/90/24/34/345902434.db2.gz SIWPHLZDNSHBCU-HBNTYKKESA-N 0 0 166.264 2.197 10 30 AEEERN CN[C@H](C#N)c1ccsc1Cl 307224858 345902869 /nfs/dbraw/zinc/90/28/69/345902869.db2.gz BZAXEHUEYVEXIN-ZCFIWIBFSA-N 0 0 186.667 2.186 10 30 AEEERN CN[C@@H](C#N)c1ccsc1Cl 307224857 345902899 /nfs/dbraw/zinc/90/28/99/345902899.db2.gz BZAXEHUEYVEXIN-LURJTMIESA-N 0 0 186.667 2.186 10 30 AEEERN C=C(CC)C[C@H]1COC(C)(C)C1=O 307224281 345902955 /nfs/dbraw/zinc/90/29/55/345902955.db2.gz SKQWQCHLZQXWAO-VIFPVBQESA-N 0 0 182.263 2.337 10 30 AEEERN N#Cc1cccc(NC2CSC2)c1 307224452 345902994 /nfs/dbraw/zinc/90/29/94/345902994.db2.gz SRNNGNYDTFVJEO-UHFFFAOYSA-N 0 0 190.271 2.086 10 30 AEEERN C=C(CC)C[C@@H]1COC(C)(C)C1=O 307224280 345902992 /nfs/dbraw/zinc/90/29/92/345902992.db2.gz SKQWQCHLZQXWAO-SECBINFHSA-N 0 0 182.263 2.337 10 30 AEEERN C#CCOc1c(C)ccnc1Cl 307225254 345903488 /nfs/dbraw/zinc/90/34/88/345903488.db2.gz UEMFQTFFHLUXFT-UHFFFAOYSA-N 0 0 181.622 2.055 10 30 AEEERN C=C(C)C(=O)c1cccc(C#N)c1 307226246 345903926 /nfs/dbraw/zinc/90/39/26/345903926.db2.gz VMCJFWWYMZORMS-UHFFFAOYSA-N 0 0 171.199 2.317 10 30 AEEERN C/C=C/C(=O)c1cc(F)ncc1F 307226846 345904208 /nfs/dbraw/zinc/90/42/08/345904208.db2.gz GHWGCCMFMPAESD-NSCUHMNNSA-N 0 0 183.157 2.119 10 30 AEEERN C=CCSc1cncc(Cl)n1 307227027 345904789 /nfs/dbraw/zinc/90/47/89/345904789.db2.gz CHMVQAVTDXGNJP-UHFFFAOYSA-N 0 0 186.667 2.408 10 30 AEEERN CC/C=C/C(=O)c1ccns1 307229913 345906889 /nfs/dbraw/zinc/90/68/89/345906889.db2.gz AOGRXWNISFMCHD-ONEGZZNKSA-N 0 0 167.233 2.292 10 30 AEEERN Cc1cc(N[C@@H]2C[C@H]2C)c(C#N)cn1 307229899 345907266 /nfs/dbraw/zinc/90/72/66/345907266.db2.gz AKUWTMDPXRCYIT-GMSGAONNSA-N 0 0 187.246 2.082 10 30 AEEERN [N-]=[N+]=Nc1ncc(F)cc1[N+](=O)[O-] 307230358 345907387 /nfs/dbraw/zinc/90/73/87/345907387.db2.gz NCZIHERQDAZWTG-UHFFFAOYSA-N 0 0 183.102 2.071 10 30 AEEERN Cc1cc(N[C@H]2C[C@H]2C)c(C#N)cn1 307229907 345907394 /nfs/dbraw/zinc/90/73/94/345907394.db2.gz AKUWTMDPXRCYIT-XCBNKYQSSA-N 0 0 187.246 2.082 10 30 AEEERN CSCOc1ccc(C#N)cc1F 307231866 345909105 /nfs/dbraw/zinc/90/91/05/345909105.db2.gz DJWLFXVIBWDWAT-UHFFFAOYSA-N 0 0 197.234 2.397 10 30 AEEERN C/C=C/C(=O)c1csc(C)n1 307233548 345910541 /nfs/dbraw/zinc/91/05/41/345910541.db2.gz DYOXCXWNZCYAPL-ONEGZZNKSA-N 0 0 167.233 2.210 10 30 AEEERN C=CC(C)(C)CNc1cccnn1 307234389 345911027 /nfs/dbraw/zinc/91/10/27/345911027.db2.gz FHLPTJITDYPVDT-UHFFFAOYSA-N 0 0 177.251 2.101 10 30 AEEERN CSCC1CCC(=NO)CC1 307234958 345911671 /nfs/dbraw/zinc/91/16/71/345911671.db2.gz MUESBNKJRGKFHL-UHFFFAOYSA-N 0 0 173.281 2.370 10 30 AEEERN CCC(C=O)=C(O)C(C)(C)C 307236403 345912462 /nfs/dbraw/zinc/91/24/62/345912462.db2.gz DUNVRUFCDOAJGB-VOTSOKGWSA-N 0 0 156.225 2.454 10 30 AEEERN SC[C@H]1Cc2ccccc21 307237907 345913495 /nfs/dbraw/zinc/91/34/95/345913495.db2.gz YCWHUVQVDRPAME-MRVPVSSYSA-N 0 0 150.246 2.256 10 30 AEEERN O=CCC[C@H]1CCCC1(F)F 307237242 345913533 /nfs/dbraw/zinc/91/35/33/345913533.db2.gz WTVDOANKOXERGF-SSDOTTSWSA-N 0 0 162.179 2.401 10 30 AEEERN O=CCC[C@@H]1CCCC1(F)F 307237243 345913602 /nfs/dbraw/zinc/91/36/02/345913602.db2.gz WTVDOANKOXERGF-ZETCQYMHSA-N 0 0 162.179 2.401 10 30 AEEERN O=C1C=CO[C@@H](CC2CCCC2)C1 307239256 345914688 /nfs/dbraw/zinc/91/46/88/345914688.db2.gz PHZRTMLBKZFULY-NSHDSACASA-N 0 0 180.247 2.438 10 30 AEEERN O=C1C=CO[C@H](CC2CCCC2)C1 307239248 345914808 /nfs/dbraw/zinc/91/48/08/345914808.db2.gz PHZRTMLBKZFULY-LLVKDONJSA-N 0 0 180.247 2.438 10 30 AEEERN CC(C)N[C@]1(C#N)CCC1(C)C 307239814 345915250 /nfs/dbraw/zinc/91/52/50/345915250.db2.gz GOUIDRMFQKTIHI-JTQLQIEISA-N 0 0 166.268 2.067 10 30 AEEERN CC(C)N[C@@]1(C#N)CCC1(C)C 307239815 345915265 /nfs/dbraw/zinc/91/52/65/345915265.db2.gz GOUIDRMFQKTIHI-SNVBAGLBSA-N 0 0 166.268 2.067 10 30 AEEERN CC(=O)/C(C)=C/c1ccncc1C 307242846 345917020 /nfs/dbraw/zinc/91/70/20/345917020.db2.gz JQEOSOZXFNSRSJ-SOFGYWHQSA-N 0 0 175.231 2.382 10 30 AEEERN CO[C@H](C#N)c1cccc(C)c1F 307244489 345918245 /nfs/dbraw/zinc/91/82/45/345918245.db2.gz LHHRPNFCOQKPBI-SECBINFHSA-N 0 0 179.194 2.345 10 30 AEEERN C[C@H]1CCCC[C@]1(C#N)CCCO 307244943 345918751 /nfs/dbraw/zinc/91/87/51/345918751.db2.gz LVGNXVBETBIMPD-WDEREUQCSA-N 0 0 181.279 2.479 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)CCCO 307244939 345918846 /nfs/dbraw/zinc/91/88/46/345918846.db2.gz LVGNXVBETBIMPD-GHMZBOCLSA-N 0 0 181.279 2.479 10 30 AEEERN C[C@H]1CCCC[C@@]1(C#N)CCCO 307244942 345918899 /nfs/dbraw/zinc/91/88/99/345918899.db2.gz LVGNXVBETBIMPD-QWRGUYRKSA-N 0 0 181.279 2.479 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)CCCO 307244941 345918931 /nfs/dbraw/zinc/91/89/31/345918931.db2.gz LVGNXVBETBIMPD-MNOVXSKESA-N 0 0 181.279 2.479 10 30 AEEERN CCN(C)N=C1CC(C)(C)C1 307244903 345918944 /nfs/dbraw/zinc/91/89/44/345918944.db2.gz LUBLBDPEUPZCCH-UHFFFAOYSA-N 0 0 154.257 2.114 10 30 AEEERN C=C(C)C(=O)c1cc(F)ncc1F 307247131 345919665 /nfs/dbraw/zinc/91/96/65/345919665.db2.gz ZJEASWRLOZVGDC-UHFFFAOYSA-N 0 0 183.157 2.119 10 30 AEEERN CC[C@H](C#N)N1CCC[C@H](SC)C1 307247420 345919707 /nfs/dbraw/zinc/91/97/07/345919707.db2.gz MRQSOPFECJQHSQ-ZJUUUORDSA-N 0 0 198.335 2.116 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@@H](SC)C1 307247418 345919777 /nfs/dbraw/zinc/91/97/77/345919777.db2.gz MRQSOPFECJQHSQ-VHSXEESVSA-N 0 0 198.335 2.116 10 30 AEEERN CC[C@@H](C#N)N1CCC[C@H](SC)C1 307247416 345919816 /nfs/dbraw/zinc/91/98/16/345919816.db2.gz MRQSOPFECJQHSQ-UWVGGRQHSA-N 0 0 198.335 2.116 10 30 AEEERN CC[C@H](C#N)N1CCC[C@@H](SC)C1 307247414 345919910 /nfs/dbraw/zinc/91/99/10/345919910.db2.gz MRQSOPFECJQHSQ-NXEZZACHSA-N 0 0 198.335 2.116 10 30 AEEERN CC#CCNc1cscc1C 307247299 345919924 /nfs/dbraw/zinc/91/99/24/345919924.db2.gz ZTVDGCAIKUVEED-UHFFFAOYSA-N 0 0 165.261 2.492 10 30 AEEERN C/C=C/CNc1nc(C)ccc1C#N 307248880 345920821 /nfs/dbraw/zinc/92/08/21/345920821.db2.gz NNWDQVIQPIIZDU-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C#CCC(=O)c1ccc(N)cc1Cl 307248320 345920932 /nfs/dbraw/zinc/92/09/32/345920932.db2.gz HNHPANWRWBNQDJ-UHFFFAOYSA-N 0 0 193.633 2.128 10 30 AEEERN C[C@H]1CCCC[C@@]1(C#N)CCO 307249499 345921359 /nfs/dbraw/zinc/92/13/59/345921359.db2.gz OLTSBNZHRMCOQQ-UWVGGRQHSA-N 0 0 167.252 2.089 10 30 AEEERN C[C@H]1CCCC[C@]1(C#N)CCO 307249500 345921380 /nfs/dbraw/zinc/92/13/80/345921380.db2.gz OLTSBNZHRMCOQQ-VHSXEESVSA-N 0 0 167.252 2.089 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)CCO 307249501 345921591 /nfs/dbraw/zinc/92/15/91/345921591.db2.gz OLTSBNZHRMCOQQ-ZJUUUORDSA-N 0 0 167.252 2.089 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)CCO 307249498 345921725 /nfs/dbraw/zinc/92/17/25/345921725.db2.gz OLTSBNZHRMCOQQ-NXEZZACHSA-N 0 0 167.252 2.089 10 30 AEEERN C[C@@H]1CCC[C@H](C(=O)CC#N)C1 307252798 345924007 /nfs/dbraw/zinc/92/40/07/345924007.db2.gz TVBAVICBHYTYJM-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@H]1CCC[C@H](C(=O)CC#N)C1 307252800 345924097 /nfs/dbraw/zinc/92/40/97/345924097.db2.gz TVBAVICBHYTYJM-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN C=CC(C)(C)CNc1nncs1 307252340 345924142 /nfs/dbraw/zinc/92/41/42/345924142.db2.gz RXMXTEBQOCSJFI-UHFFFAOYSA-N 0 0 183.280 2.162 10 30 AEEERN C[C@H]1CCC[C@@H](C(=O)CC#N)C1 307252799 345924185 /nfs/dbraw/zinc/92/41/85/345924185.db2.gz TVBAVICBHYTYJM-DTWKUNHWSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1CCC[C@@H](C(=O)CC#N)C1 307252801 345924248 /nfs/dbraw/zinc/92/42/48/345924248.db2.gz TVBAVICBHYTYJM-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN C/C=C/CNc1nccc(C)c1C#N 307253610 345925313 /nfs/dbraw/zinc/92/53/13/345925313.db2.gz VRTQCRJFIFNDTH-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C[C@H]1CC[C@H](O)[C@@]2(C)CCC(=O)C=C12 307254878 345926003 /nfs/dbraw/zinc/92/60/03/345926003.db2.gz YQGUTFZWRXJOLH-UWJYBYFXSA-N 0 0 194.274 2.073 10 30 AEEERN Cc1cc(C#N)cc(NCCF)c1 307255278 345926709 /nfs/dbraw/zinc/92/67/09/345926709.db2.gz AKWNGKCVNSVIRV-UHFFFAOYSA-N 0 0 178.210 2.248 10 30 AEEERN CC(C)(O)CC1(C#N)CCCC1 307255925 345927416 /nfs/dbraw/zinc/92/74/16/345927416.db2.gz HZPLOLLXCYLAIG-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN C/C=C/C[C@]1(C#N)CCCOC1 307256953 345928345 /nfs/dbraw/zinc/92/83/45/345928345.db2.gz AXRGUFJUOWYYGW-VMZHVLLKSA-N 0 0 165.236 2.273 10 30 AEEERN C/C=C/C[C@@]1(C#N)CCCOC1 307256950 345928584 /nfs/dbraw/zinc/92/85/84/345928584.db2.gz AXRGUFJUOWYYGW-PBKGFPTLSA-N 0 0 165.236 2.273 10 30 AEEERN N#CCCNc1csc(Cl)n1 307257039 345928686 /nfs/dbraw/zinc/92/86/86/345928686.db2.gz ASOOUPARWQNQGP-UHFFFAOYSA-N 0 0 187.655 2.122 10 30 AEEERN C=CCNc1ncc(CC)s1 307258040 345929250 /nfs/dbraw/zinc/92/92/50/345929250.db2.gz BKECPZBMZUJIKR-UHFFFAOYSA-N 0 0 168.265 2.303 10 30 AEEERN CC(C)(C#N)Cc1ccnc(Cl)n1 307258059 345929318 /nfs/dbraw/zinc/92/93/18/345929318.db2.gz BLLUTJUQAUAQTM-UHFFFAOYSA-N 0 0 195.653 2.222 10 30 AEEERN C=C(C)CSCCCOC 307258734 345929847 /nfs/dbraw/zinc/92/98/47/345929847.db2.gz CWSFGOJOYMFJTH-UHFFFAOYSA-N 0 0 160.282 2.332 10 30 AEEERN [N-]=[N+]=Nc1ncnc2scnc12 307259214 345930419 /nfs/dbraw/zinc/93/04/19/345930419.db2.gz QWHJFUFUINYTCH-UHFFFAOYSA-N 0 0 178.180 2.028 10 30 AEEERN CC1=CC(=O)CC[C@]2(C)[C@H](O)CC[C@H]12 307260620 345931274 /nfs/dbraw/zinc/93/12/74/345931274.db2.gz NHKZVDPNINAOKJ-UTUOFQBUSA-N 0 0 194.274 2.073 10 30 AEEERN CC1=CC(=O)CC[C@]2(C)[C@@H](O)CC[C@H]12 307260621 345931277 /nfs/dbraw/zinc/93/12/77/345931277.db2.gz NHKZVDPNINAOKJ-WOPDTQHZSA-N 0 0 194.274 2.073 10 30 AEEERN CC(C)[C@@](C)(O)CC(C)(C)C#N 307261063 345931396 /nfs/dbraw/zinc/93/13/96/345931396.db2.gz OPDNYQGKJYUGAK-JTQLQIEISA-N 0 0 169.268 2.333 10 30 AEEERN CC1=CC(=O)CC[C@]2(C)[C@@H](O)CC[C@@H]12 307260618 345931529 /nfs/dbraw/zinc/93/15/29/345931529.db2.gz NHKZVDPNINAOKJ-SRVKXCTJSA-N 0 0 194.274 2.073 10 30 AEEERN CC1=CC(=O)CC[C@@]2(C)[C@H]1CC[C@H]2O 307260619 345931533 /nfs/dbraw/zinc/93/15/33/345931533.db2.gz NHKZVDPNINAOKJ-TUAOUCFPSA-N 0 0 194.274 2.073 10 30 AEEERN CC(C)[C@](C)(O)CC(C)(C)C#N 307261064 345931617 /nfs/dbraw/zinc/93/16/17/345931617.db2.gz OPDNYQGKJYUGAK-SNVBAGLBSA-N 0 0 169.268 2.333 10 30 AEEERN C#CCC[C@@]1(C#N)CCCCC1=O 307261302 345931639 /nfs/dbraw/zinc/93/16/39/345931639.db2.gz PGCUDFFHMOAFGH-NSHDSACASA-N 0 0 175.231 2.053 10 30 AEEERN C#CCC[C@]1(C#N)CCCCC1=O 307261301 345931644 /nfs/dbraw/zinc/93/16/44/345931644.db2.gz PGCUDFFHMOAFGH-LLVKDONJSA-N 0 0 175.231 2.053 10 30 AEEERN N#CCOc1cccc(C=O)c1Cl 307262012 345932218 /nfs/dbraw/zinc/93/22/18/345932218.db2.gz WAORUHHVPABPAN-UHFFFAOYSA-N 0 0 195.605 2.055 10 30 AEEERN CO[C@H](C#N)[C@@H](C)C(C)(C)C 307263991 345933718 /nfs/dbraw/zinc/93/37/18/345933718.db2.gz ZRFAFAJETBCRMV-HTQZYQBOSA-N 0 0 155.241 2.207 10 30 AEEERN CO[C@H](C#N)[C@H](C)C(C)(C)C 307263992 345933734 /nfs/dbraw/zinc/93/37/34/345933734.db2.gz ZRFAFAJETBCRMV-JGVFFNPUSA-N 0 0 155.241 2.207 10 30 AEEERN CO[C@@H](C#N)[C@@H](C)C(C)(C)C 307263993 345933757 /nfs/dbraw/zinc/93/37/57/345933757.db2.gz ZRFAFAJETBCRMV-SFYZADRCSA-N 0 0 155.241 2.207 10 30 AEEERN CO[C@@H](C#N)[C@H](C)C(C)(C)C 307263994 345934052 /nfs/dbraw/zinc/93/40/52/345934052.db2.gz ZRFAFAJETBCRMV-YUMQZZPRSA-N 0 0 155.241 2.207 10 30 AEEERN CCc1c(F)ccc(C#N)c1F 307270409 345937613 /nfs/dbraw/zinc/93/76/13/345937613.db2.gz PYMCXZAGOTYXTA-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN Cc1c(C#N)ccc(Cl)c1[N+](=O)[O-] 307271089 345938390 /nfs/dbraw/zinc/93/83/90/345938390.db2.gz QYSNGDCYGJHANI-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN S[C@@H]1CCOC2(CCCC2)C1 307270986 345938501 /nfs/dbraw/zinc/93/85/01/345938501.db2.gz AXJHWTBGJPLEHR-MRVPVSSYSA-N 0 0 172.293 2.408 10 30 AEEERN C#CCc1ccc2ncccc2c1 307274939 345941195 /nfs/dbraw/zinc/94/11/95/345941195.db2.gz OZERLXAECXKGFY-UHFFFAOYSA-N 0 0 167.211 2.411 10 30 AEEERN C[C@@H]1CC[C@@]2(CCC[C@H](C=O)O2)C1 307276235 345942208 /nfs/dbraw/zinc/94/22/08/345942208.db2.gz VGPANEQRRUJFEB-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CC[C@@]2(CCC[C@@H](C=O)O2)C1 307276237 345942285 /nfs/dbraw/zinc/94/22/85/345942285.db2.gz VGPANEQRRUJFEB-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CC[C@]2(CCC[C@@H](C=O)O2)C1 307276236 345942431 /nfs/dbraw/zinc/94/24/31/345942431.db2.gz VGPANEQRRUJFEB-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CC[C@]2(CCC[C@H](C=O)O2)C1 307276234 345942478 /nfs/dbraw/zinc/94/24/78/345942478.db2.gz VGPANEQRRUJFEB-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC2(CCC[C@@H](C=O)O2)C1 307279239 345943450 /nfs/dbraw/zinc/94/34/50/345943450.db2.gz WNMRHMXRUIIQNZ-VIFPVBQESA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC2(CCC[C@H](C=O)O2)C1 307279238 345943792 /nfs/dbraw/zinc/94/37/92/345943792.db2.gz WNMRHMXRUIIQNZ-SECBINFHSA-N 0 0 182.263 2.313 10 30 AEEERN CC#C[C@](O)(CC)Cc1ccccc1 307283571 345946455 /nfs/dbraw/zinc/94/64/55/345946455.db2.gz KFOXFYWCPHHUPC-CYBMUJFWSA-N 0 0 188.270 2.394 10 30 AEEERN CC#C[C@@](O)(CC)Cc1ccccc1 307283572 345946624 /nfs/dbraw/zinc/94/66/24/345946624.db2.gz KFOXFYWCPHHUPC-ZDUSSCGKSA-N 0 0 188.270 2.394 10 30 AEEERN Cc1ccc(C2(C#N)CCCC2)nn1 307285060 345947232 /nfs/dbraw/zinc/94/72/32/345947232.db2.gz NURMCGZZWDFNDN-UHFFFAOYSA-N 0 0 187.246 2.120 10 30 AEEERN Cc1sccc1[C@@H](C#N)NC1CC1 307285679 345947642 /nfs/dbraw/zinc/94/76/42/345947642.db2.gz OYRGAANPBCQBND-SNVBAGLBSA-N 0 0 192.287 2.373 10 30 AEEERN Cc1sccc1[C@H](C#N)NC1CC1 307285678 345947693 /nfs/dbraw/zinc/94/76/93/345947693.db2.gz OYRGAANPBCQBND-JTQLQIEISA-N 0 0 192.287 2.373 10 30 AEEERN CCN(OC)[C@@H]1C[C@H](C)CC[C@@H]1C#N 307288647 345949145 /nfs/dbraw/zinc/94/91/45/345949145.db2.gz XKENKOMZIDTAEV-GMTAPVOTSA-N 0 0 196.294 2.198 10 30 AEEERN CCN(OC)[C@@H]1C[C@H](C)CC[C@H]1C#N 307288649 345949216 /nfs/dbraw/zinc/94/92/16/345949216.db2.gz XKENKOMZIDTAEV-OUAUKWLOSA-N 0 0 196.294 2.198 10 30 AEEERN CCN(OC)[C@@H]1C[C@@H](C)CC[C@@H]1C#N 307288648 345949280 /nfs/dbraw/zinc/94/92/80/345949280.db2.gz XKENKOMZIDTAEV-HBNTYKKESA-N 0 0 196.294 2.198 10 30 AEEERN CCN(OC)[C@@H]1C[C@@H](C)CC[C@H]1C#N 307288646 345949360 /nfs/dbraw/zinc/94/93/60/345949360.db2.gz XKENKOMZIDTAEV-GARJFASQSA-N 0 0 196.294 2.198 10 30 AEEERN C#Cc1nc(NCC=C)sc1C 307289335 345949900 /nfs/dbraw/zinc/94/99/00/345949900.db2.gz YLPOIWNZYOYWJC-UHFFFAOYSA-N 0 0 178.260 2.031 10 30 AEEERN C[C@H](NCC#N)[C@H]1CC2CCC1CC2 307290398 345950177 /nfs/dbraw/zinc/95/01/77/345950177.db2.gz BMCYYOUQJYZCKP-WNYYMSAVSA-N 0 0 192.306 2.314 10 30 AEEERN C=CC(=O)c1cc(F)cc(F)c1F 307290057 345950239 /nfs/dbraw/zinc/95/02/39/345950239.db2.gz ZTYOEPJMKSLKFD-UHFFFAOYSA-N 0 0 186.132 2.473 10 30 AEEERN C[C@@H](NCC#N)[C@@H]1CC2CCC1CC2 307290405 345950373 /nfs/dbraw/zinc/95/03/73/345950373.db2.gz BMCYYOUQJYZCKP-YYJSSNLHSA-N 0 0 192.306 2.314 10 30 AEEERN C[C@H](NCC#N)[C@@H]1CC2CCC1CC2 307290402 345950429 /nfs/dbraw/zinc/95/04/29/345950429.db2.gz BMCYYOUQJYZCKP-XKGSQUFQSA-N 0 0 192.306 2.314 10 30 AEEERN C[C@@H](NCC#N)[C@H]1CC2CCC1CC2 307290395 345950492 /nfs/dbraw/zinc/95/04/92/345950492.db2.gz BMCYYOUQJYZCKP-HBIQZDMRSA-N 0 0 192.306 2.314 10 30 AEEERN O=C[C@H]1CCC[C@H](C2CCCC2)O1 307292494 345951316 /nfs/dbraw/zinc/95/13/16/345951316.db2.gz CIXPGOIHPTZOAW-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN O=C[C@@H]1CCC[C@@H](C2CCCC2)O1 307292501 345951364 /nfs/dbraw/zinc/95/13/64/345951364.db2.gz CIXPGOIHPTZOAW-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN O=C[C@H]1CCC[C@@H](C2CCCC2)O1 307292498 345951457 /nfs/dbraw/zinc/95/14/57/345951457.db2.gz CIXPGOIHPTZOAW-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN O=C[C@@H]1CCC[C@H](C2CCCC2)O1 307292505 345951459 /nfs/dbraw/zinc/95/14/59/345951459.db2.gz CIXPGOIHPTZOAW-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN CC(C)OC1(C#N)CCSCC1 307293955 345951984 /nfs/dbraw/zinc/95/19/84/345951984.db2.gz CEXSNLPJVYRDIB-UHFFFAOYSA-N 0 0 185.292 2.201 10 30 AEEERN C[C@@H]1CCC[C@@]2(CC[C@H](C=O)O2)C1 307294267 345952346 /nfs/dbraw/zinc/95/23/46/345952346.db2.gz FWBAOTGNLSKHJP-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C[N@@H+]2CCC[C@H](C#N)C2)CCC1 307294361 345952375 /nfs/dbraw/zinc/95/23/75/345952375.db2.gz GKLLPWTXLBSDJE-LLVKDONJSA-N 0 0 192.306 2.412 10 30 AEEERN C[C@@H]1CCC[C@]2(CC[C@H](C=O)O2)C1 307294268 345952460 /nfs/dbraw/zinc/95/24/60/345952460.db2.gz FWBAOTGNLSKHJP-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@@]2(CC[C@@H](C=O)O2)C1 307294269 345952505 /nfs/dbraw/zinc/95/25/05/345952505.db2.gz FWBAOTGNLSKHJP-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@]2(CC[C@@H](C=O)O2)C1 307294270 345952576 /nfs/dbraw/zinc/95/25/76/345952576.db2.gz FWBAOTGNLSKHJP-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C[N@@H+]2CCC[C@@H](C#N)C2)CCC1 307294362 345952600 /nfs/dbraw/zinc/95/26/00/345952600.db2.gz GKLLPWTXLBSDJE-NSHDSACASA-N 0 0 192.306 2.412 10 30 AEEERN Cc1cc(CC#N)cc([N+](=O)[O-])c1F 307295394 345952773 /nfs/dbraw/zinc/95/27/73/345952773.db2.gz HIBKILGOUSBMDU-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CCC1(CC)CC[C@@](C)(C=O)O1 307296795 345953435 /nfs/dbraw/zinc/95/34/35/345953435.db2.gz OYXURWWZARWQRF-VIFPVBQESA-N 0 0 170.252 2.313 10 30 AEEERN CCC1(CC)CC[C@](C)(C=O)O1 307296793 345953474 /nfs/dbraw/zinc/95/34/74/345953474.db2.gz OYXURWWZARWQRF-SECBINFHSA-N 0 0 170.252 2.313 10 30 AEEERN C#CCOc1cc(C)c(N)cc1Cl 307299885 345955331 /nfs/dbraw/zinc/95/53/31/345955331.db2.gz ZEGCJMCZXNWCGS-UHFFFAOYSA-N 0 0 195.649 2.243 10 30 AEEERN Cc1occc1C(=O)C1=COCC1 307302527 345957109 /nfs/dbraw/zinc/95/71/09/345957109.db2.gz NONQORBCCGUKKK-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C=C(C1=CCCC1=O)C(F)(F)F 307304484 345958292 /nfs/dbraw/zinc/95/82/92/345958292.db2.gz GZZKTSHMGDHPPW-UHFFFAOYSA-N 0 0 176.137 2.394 10 30 AEEERN C#CCC(=O)c1csc(C)c1 307305826 345959257 /nfs/dbraw/zinc/95/92/57/345959257.db2.gz CVFDIOWVMFTCRL-UHFFFAOYSA-N 0 0 164.229 2.263 10 30 AEEERN C/C=C/C(=O)c1cc(C)ns1 307305691 345959412 /nfs/dbraw/zinc/95/94/12/345959412.db2.gz RXVDAPJKPSNLTQ-ONEGZZNKSA-N 0 0 167.233 2.210 10 30 AEEERN CCSCCOCCCS 307307103 345959861 /nfs/dbraw/zinc/95/98/61/345959861.db2.gz YQEDSZCPVRXQRE-UHFFFAOYSA-N 0 0 180.338 2.076 10 30 AEEERN CO/N=C/c1cc(C)nc(Cl)c1 307306490 345960051 /nfs/dbraw/zinc/96/00/51/345960051.db2.gz XZUWDTXTSSZONL-BJMVGYQFSA-N 0 0 184.626 2.024 10 30 AEEERN N#CCN[C@@H]1CCC12CCCCC2 307307948 345960478 /nfs/dbraw/zinc/96/04/78/345960478.db2.gz ZKQVYOMCNNAEHA-SNVBAGLBSA-N 0 0 178.279 2.212 10 30 AEEERN N#CCN[C@H]1CCC12CCCCC2 307307947 345960628 /nfs/dbraw/zinc/96/06/28/345960628.db2.gz ZKQVYOMCNNAEHA-JTQLQIEISA-N 0 0 178.279 2.212 10 30 AEEERN CC(C)[C@]1(C)CC[C@@](C)(C=O)O1 307308321 345961215 /nfs/dbraw/zinc/96/12/15/345961215.db2.gz AACQFZWTQXKZEX-UWVGGRQHSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)[C@@]1(C)CC[C@](C)(C=O)O1 307308319 345961225 /nfs/dbraw/zinc/96/12/25/345961225.db2.gz AACQFZWTQXKZEX-NXEZZACHSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)[C@@]1(C)CC[C@@](C)(C=O)O1 307308323 345961296 /nfs/dbraw/zinc/96/12/96/345961296.db2.gz AACQFZWTQXKZEX-VHSXEESVSA-N 0 0 170.252 2.169 10 30 AEEERN CC(C)[C@]1(C)CC[C@](C)(C=O)O1 307308325 345961335 /nfs/dbraw/zinc/96/13/35/345961335.db2.gz AACQFZWTQXKZEX-ZJUUUORDSA-N 0 0 170.252 2.169 10 30 AEEERN C#C[C@H](C)N(C)c1cccc(Cl)n1 307311056 345962985 /nfs/dbraw/zinc/96/29/85/345962985.db2.gz BWOYGABHDKSROQ-QMMMGPOBSA-N 0 0 194.665 2.193 10 30 AEEERN C[C@H](C#N)Oc1ccc(Cl)c(N)c1 307315046 345965644 /nfs/dbraw/zinc/96/56/44/345965644.db2.gz WSYRIOIYTKXZKA-ZCFIWIBFSA-N 0 0 196.637 2.213 10 30 AEEERN C[C@@H](C#N)Oc1ccc(Cl)c(N)c1 307315045 345965746 /nfs/dbraw/zinc/96/57/46/345965746.db2.gz WSYRIOIYTKXZKA-LURJTMIESA-N 0 0 196.637 2.213 10 30 AEEERN C#CCOc1cccc2[nH]ccc12 307315942 345966263 /nfs/dbraw/zinc/96/62/63/345966263.db2.gz MXZWOQKUFBNKGQ-UHFFFAOYSA-N 0 0 171.199 2.180 10 30 AEEERN CC[C@@H]1CCCC[C@H]1[C@H](C#N)NC 307318183 345967919 /nfs/dbraw/zinc/96/79/19/345967919.db2.gz LVCKHBWCSVGOLA-MXWKQRLJSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)NC 307318185 345967934 /nfs/dbraw/zinc/96/79/34/345967934.db2.gz LVCKHBWCSVGOLA-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H]1CCCC[C@H]1[C@@H](C#N)NC 307318181 345967975 /nfs/dbraw/zinc/96/79/75/345967975.db2.gz LVCKHBWCSVGOLA-GMTAPVOTSA-N 0 0 180.295 2.314 10 30 AEEERN N#Cc1cnccc1NCC1CCC1 307319077 345968275 /nfs/dbraw/zinc/96/82/75/345968275.db2.gz NBWPQOBJTKVKSW-UHFFFAOYSA-N 0 0 187.246 2.165 10 30 AEEERN C=CC[C@@H](O)C(C)(C)SC 307393178 346013729 /nfs/dbraw/zinc/01/37/29/346013729.db2.gz BAOOLUWEGYINRK-SSDOTTSWSA-N 0 0 160.282 2.065 10 30 AEEERN CC(C)c1cc(C2(C#N)CC2)ncn1 307320333 345968830 /nfs/dbraw/zinc/96/88/30/345968830.db2.gz OTUJZQXFZBLERD-UHFFFAOYSA-N 0 0 187.246 2.155 10 30 AEEERN CC#C[C@@H](O)c1cc(F)cc(F)c1 307320042 345968856 /nfs/dbraw/zinc/96/88/56/345968856.db2.gz OGRYETKDFCKAPM-SNVBAGLBSA-N 0 0 182.169 2.022 10 30 AEEERN CC#C[C@H](O)c1cc(F)cc(F)c1 307320041 345968993 /nfs/dbraw/zinc/96/89/93/345968993.db2.gz OGRYETKDFCKAPM-JTQLQIEISA-N 0 0 182.169 2.022 10 30 AEEERN CN[C@H](C#N)c1cc(C)cc(Cl)c1 307319865 345968998 /nfs/dbraw/zinc/96/89/98/345968998.db2.gz UCFNUXCFVSQZSA-SNVBAGLBSA-N 0 0 194.665 2.433 10 30 AEEERN CN[C@@H](C#N)c1cc(C)cc(Cl)c1 307319864 345968999 /nfs/dbraw/zinc/96/89/99/345968999.db2.gz UCFNUXCFVSQZSA-JTQLQIEISA-N 0 0 194.665 2.433 10 30 AEEERN CC(C)(C)CNc1oncc1C#N 307321042 345969491 /nfs/dbraw/zinc/96/94/91/345969491.db2.gz WJQGUXMGQLVFMT-UHFFFAOYSA-N 0 0 179.223 2.004 10 30 AEEERN CC(C)CN=Nc1cncc(Cl)n1 307321285 345969545 /nfs/dbraw/zinc/96/95/45/345969545.db2.gz QCVFYQMDMRACFW-QDEBKDIKSA-N 0 0 198.657 2.184 10 30 AEEERN C=C(C)CNc1cc(C)c(C)nn1 307323710 345971002 /nfs/dbraw/zinc/97/10/02/345971002.db2.gz JGCRNGYQAFLALR-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C=CCC(=O)c1cccc(N)c1F 307326377 345972724 /nfs/dbraw/zinc/97/27/24/345972724.db2.gz HOVKOHPHWTVKJX-UHFFFAOYSA-N 0 0 179.194 2.167 10 30 AEEERN C[C@@H]1CCC[C@]12CCC[C@H](C=O)O2 307327981 345973826 /nfs/dbraw/zinc/97/38/26/345973826.db2.gz VDQVZBONHPKHJG-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@@]12CCC[C@H](C=O)O2 307327627 345973927 /nfs/dbraw/zinc/97/39/27/345973927.db2.gz VDQVZBONHPKHJG-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@@]12CCC[C@@H](C=O)O2 307327987 345974037 /nfs/dbraw/zinc/97/40/37/345974037.db2.gz VDQVZBONHPKHJG-OUAUKWLOSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCC[C@]12CCC[C@@H](C=O)O2 307327992 345974051 /nfs/dbraw/zinc/97/40/51/345974051.db2.gz VDQVZBONHPKHJG-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN CC#CCNc1ncc(C)cc1C 307329815 345974911 /nfs/dbraw/zinc/97/49/11/345974911.db2.gz MPLNRLGQRXZNOS-UHFFFAOYSA-N 0 0 174.247 2.134 10 30 AEEERN C=C[C@H](O)c1ccc2c(n1)CCCC2 307329254 345974958 /nfs/dbraw/zinc/97/49/58/345974958.db2.gz LFJNIVJOWNNAQD-LBPRGKRZSA-N 0 0 189.258 2.180 10 30 AEEERN C=C[C@@H](O)c1ccc2c(n1)CCCC2 307329253 345975004 /nfs/dbraw/zinc/97/50/04/345975004.db2.gz LFJNIVJOWNNAQD-GFCCVEGCSA-N 0 0 189.258 2.180 10 30 AEEERN Cc1cc([N+](=O)[O-])cc(CC#N)c1C 307332045 345976140 /nfs/dbraw/zinc/97/61/40/345976140.db2.gz KPLCZFWHWSJEJV-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN O=C1C=C(c2cscn2)CCC1 307332772 345977083 /nfs/dbraw/zinc/97/70/83/345977083.db2.gz QCTAVAMCXOHGTQ-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN C=C[C@@H](C)[C@@]1(C#N)CCCCC1=O 307335494 345978086 /nfs/dbraw/zinc/97/80/86/345978086.db2.gz RMSZJPBTDPFBBX-KOLCDFICSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@H](C)[C@]1(C#N)CCCCC1=O 307335490 345978254 /nfs/dbraw/zinc/97/82/54/345978254.db2.gz RMSZJPBTDPFBBX-GXSJLCMTSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@@H](C)[C@]1(C#N)CCCCC1=O 307335505 345978413 /nfs/dbraw/zinc/97/84/13/345978413.db2.gz RMSZJPBTDPFBBX-MWLCHTKSSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@H](C)[C@@]1(C#N)CCCCC1=O 307335517 345978528 /nfs/dbraw/zinc/97/85/28/345978528.db2.gz RMSZJPBTDPFBBX-ONGXEEELSA-N 0 0 177.247 2.462 10 30 AEEERN C=CCNc1ncc2ccsc2n1 307339362 345981120 /nfs/dbraw/zinc/98/11/20/345981120.db2.gz IBONXSUQAIJXRA-UHFFFAOYSA-N 0 0 191.259 2.289 10 30 AEEERN N#Cc1cc(N)c(Cl)cc1Cl 307341130 345981993 /nfs/dbraw/zinc/98/19/93/345981993.db2.gz VAJFUXZWHHDKMB-UHFFFAOYSA-N 0 0 187.029 2.447 10 30 AEEERN C=C[C@H](O)c1ccc(Cl)cc1N 307343601 345983893 /nfs/dbraw/zinc/98/38/93/345983893.db2.gz IZCHSVXLEZVLSC-VIFPVBQESA-N 0 0 183.638 2.142 10 30 AEEERN CC(C)(C#N)CCC1(O)CCC1 307346472 345985504 /nfs/dbraw/zinc/98/55/04/345985504.db2.gz PBXFERRZDJVIAK-UHFFFAOYSA-N 0 0 167.252 2.231 10 30 AEEERN CC(C)C1(NC2=CC(=O)CC2)CC1 307346623 345985531 /nfs/dbraw/zinc/98/55/31/345985531.db2.gz WRLQESIDZBBGOC-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN Cc1cc(F)c(C[C@H]2CO2)c(F)c1 307352661 345989515 /nfs/dbraw/zinc/98/95/15/345989515.db2.gz VJHPUVTUBRMVLQ-ZETCQYMHSA-N 0 0 184.185 2.215 10 30 AEEERN Cc1cc(F)c(C[C@@H]2CO2)c(F)c1 307352660 345989520 /nfs/dbraw/zinc/98/95/20/345989520.db2.gz VJHPUVTUBRMVLQ-SSDOTTSWSA-N 0 0 184.185 2.215 10 30 AEEERN C#CCON[C@H]1CCC[C@@H](C)CC1 307356133 345991125 /nfs/dbraw/zinc/99/11/25/345991125.db2.gz XKMHKHVUHJMAQQ-MNOVXSKESA-N 0 0 181.279 2.110 10 30 AEEERN C#CCON[C@@H]1CCC[C@H](C)CC1 307356135 345991283 /nfs/dbraw/zinc/99/12/83/345991283.db2.gz XKMHKHVUHJMAQQ-WDEREUQCSA-N 0 0 181.279 2.110 10 30 AEEERN C#CCON[C@H]1CCC[C@H](C)CC1 307356134 345991291 /nfs/dbraw/zinc/99/12/91/345991291.db2.gz XKMHKHVUHJMAQQ-QWRGUYRKSA-N 0 0 181.279 2.110 10 30 AEEERN C=C(C)CC(=O)C(C)(F)F 307356063 345991324 /nfs/dbraw/zinc/99/13/24/345991324.db2.gz WUIJRNULEUKHEW-UHFFFAOYSA-N 0 0 148.152 2.177 10 30 AEEERN C#CCON[C@@H]1CCC[C@@H](C)CC1 307356132 345991328 /nfs/dbraw/zinc/99/13/28/345991328.db2.gz XKMHKHVUHJMAQQ-GHMZBOCLSA-N 0 0 181.279 2.110 10 30 AEEERN Cc1cscc1NCCC#N 307359515 345993237 /nfs/dbraw/zinc/99/32/37/345993237.db2.gz DFSJBJKYXFQHNZ-UHFFFAOYSA-N 0 0 166.249 2.382 10 30 AEEERN C#Cc1cc(Cl)ccc1C=O 307359253 345993402 /nfs/dbraw/zinc/99/34/02/345993402.db2.gz CWCVYSVRRZTTPS-UHFFFAOYSA-N 0 0 164.591 2.134 10 30 AEEERN C#Cc1cc(=S)[nH]c(CCC)n1 307358900 345993538 /nfs/dbraw/zinc/99/35/38/345993538.db2.gz ZSKAZYMVNRDLOZ-UHFFFAOYSA-N 0 0 178.260 2.073 10 30 AEEERN C=CC[C@@H](O)c1ccc2c(c1)OCC2 307361469 345994345 /nfs/dbraw/zinc/99/43/45/345994345.db2.gz HLPKGMRKPZKSCN-LLVKDONJSA-N 0 0 190.242 2.231 10 30 AEEERN C=CC[C@H](O)c1ccc2c(c1)OCC2 307361470 345994342 /nfs/dbraw/zinc/99/43/42/345994342.db2.gz HLPKGMRKPZKSCN-NSHDSACASA-N 0 0 190.242 2.231 10 30 AEEERN CC1(C)CCC(C/C(N)=N/O)CC1 307361767 345994619 /nfs/dbraw/zinc/99/46/19/345994619.db2.gz HVUZMPSZLRAZIX-UHFFFAOYSA-N 0 0 184.283 2.339 10 30 AEEERN Cc1cccc([C@@H]2CO2)c1F 307361914 345995240 /nfs/dbraw/zinc/99/52/40/345995240.db2.gz FOQHYBDIWWKTIN-QMMMGPOBSA-N 0 0 152.168 2.205 10 30 AEEERN Cc1cccc([C@H]2CO2)c1F 307361912 345995266 /nfs/dbraw/zinc/99/52/66/345995266.db2.gz FOQHYBDIWWKTIN-MRVPVSSYSA-N 0 0 152.168 2.205 10 30 AEEERN Cc1cc(NC(C)C)cc(C#N)n1 307362101 345995277 /nfs/dbraw/zinc/99/52/77/345995277.db2.gz IIOQXQRCXKFVLT-UHFFFAOYSA-N 0 0 175.235 2.082 10 30 AEEERN C#Cc1cccc(O)c1Cl 307455450 346051070 /nfs/dbraw/zinc/05/10/70/346051070.db2.gz CXZXEFXDRUWAAZ-UHFFFAOYSA-N 0 0 152.580 2.027 10 30 AEEERN CC(C)O[C@@H](C#N)c1cncs1 307362915 345995741 /nfs/dbraw/zinc/99/57/41/345995741.db2.gz GYXZWXJVAMOQSD-ZETCQYMHSA-N 0 0 182.248 2.133 10 30 AEEERN CC(C)O[C@H](C#N)c1cncs1 307362914 345995770 /nfs/dbraw/zinc/99/57/70/345995770.db2.gz GYXZWXJVAMOQSD-SSDOTTSWSA-N 0 0 182.248 2.133 10 30 AEEERN [N-]=[N+]=Nc1cnc2c(n1)CCCC2 307365362 345996966 /nfs/dbraw/zinc/99/69/66/345996966.db2.gz LUNWOCOSGXAXGP-UHFFFAOYSA-N 0 0 175.195 2.297 10 30 AEEERN SC[C@@H]1C[C@@H]2CCCC[C@H]2O1 307366196 345997469 /nfs/dbraw/zinc/99/74/69/345997469.db2.gz KQCULHWXDCLNLV-XHNCKOQMSA-N 0 0 172.293 2.264 10 30 AEEERN SC[C@@H]1C[C@H]2CCCC[C@@H]2O1 307366195 345997549 /nfs/dbraw/zinc/99/75/49/345997549.db2.gz KQCULHWXDCLNLV-VGMNWLOBSA-N 0 0 172.293 2.264 10 30 AEEERN SC[C@@H]1C[C@@H]2CCCC[C@@H]2O1 307366193 345997556 /nfs/dbraw/zinc/99/75/56/345997556.db2.gz KQCULHWXDCLNLV-CIUDSAMLSA-N 0 0 172.293 2.264 10 30 AEEERN SC[C@@H]1C[C@H]2CCCC[C@H]2O1 307366194 345997594 /nfs/dbraw/zinc/99/75/94/345997594.db2.gz KQCULHWXDCLNLV-HRDYMLBCSA-N 0 0 172.293 2.264 10 30 AEEERN CO[C@]1(C=O)CCC[C@@H](C)[C@H]1C 307366895 345997990 /nfs/dbraw/zinc/99/79/90/345997990.db2.gz NRVKSNYDKUNINE-BBBLOLIVSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)CCC[C@H](C)[C@@H]1C 307366896 345997992 /nfs/dbraw/zinc/99/79/92/345997992.db2.gz NRVKSNYDKUNINE-GUBZILKMSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)CCC[C@@H](C)[C@@H]1C 307366897 345998015 /nfs/dbraw/zinc/99/80/15/345998015.db2.gz NRVKSNYDKUNINE-UTLUCORTSA-N 0 0 170.252 2.027 10 30 AEEERN CO[C@]1(C=O)CCC[C@H](C)[C@H]1C 307366894 345998041 /nfs/dbraw/zinc/99/80/41/345998041.db2.gz NRVKSNYDKUNINE-AEJSXWLSSA-N 0 0 170.252 2.027 10 30 AEEERN Cc1csc(C(=O)[C@@H](C)C#N)c1 307369287 345999676 /nfs/dbraw/zinc/99/96/76/345999676.db2.gz NYBDKBWDJUMPIQ-ZETCQYMHSA-N 0 0 179.244 2.399 10 30 AEEERN Cc1csc(C(=O)[C@H](C)C#N)c1 307369286 345999794 /nfs/dbraw/zinc/99/97/94/345999794.db2.gz NYBDKBWDJUMPIQ-SSDOTTSWSA-N 0 0 179.244 2.399 10 30 AEEERN Cc1nc(C)c(N=[N+]=[N-])nc1C 307372243 346001447 /nfs/dbraw/zinc/00/14/47/346001447.db2.gz QWYJKQWZZNKILU-UHFFFAOYSA-N 0 0 163.184 2.344 10 30 AEEERN N#Cc1ccc(F)nc1C(F)(F)F 307373682 346002540 /nfs/dbraw/zinc/00/25/40/346002540.db2.gz SCYWXDPUITWFQP-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN Cc1cc(F)c(CC=O)c(F)c1 307374506 346002757 /nfs/dbraw/zinc/00/27/57/346002757.db2.gz SYWYSPLHIRGCQE-UHFFFAOYSA-N 0 0 170.158 2.015 10 30 AEEERN C=C(C)CNc1ccc(N(C)C)nc1 307376784 346004221 /nfs/dbraw/zinc/00/42/21/346004221.db2.gz BSKLGNLLXUSUQW-UHFFFAOYSA-N 0 0 191.278 2.136 10 30 AEEERN C#CCOc1cnc(Cl)cc1C 307377179 346004376 /nfs/dbraw/zinc/00/43/76/346004376.db2.gz CAMVWCAUHDLGNR-UHFFFAOYSA-N 0 0 181.622 2.055 10 30 AEEERN Cc1ccc(Cl)c(C#N)c1[N+](=O)[O-] 307391420 346012499 /nfs/dbraw/zinc/01/24/99/346012499.db2.gz WFGUYPIWXTXGQK-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C=CCC[C@]1(O)CCOC(C)(C)C1 307393397 346013450 /nfs/dbraw/zinc/01/34/50/346013450.db2.gz LGEVWARKMRCDCM-NSHDSACASA-N 0 0 184.279 2.273 10 30 AEEERN C=CCC[C@@]1(O)CCOC(C)(C)C1 307393387 346013461 /nfs/dbraw/zinc/01/34/61/346013461.db2.gz LGEVWARKMRCDCM-LLVKDONJSA-N 0 0 184.279 2.273 10 30 AEEERN C=CC[C@H](O)C(C)(C)SC 307393179 346013557 /nfs/dbraw/zinc/01/35/57/346013557.db2.gz BAOOLUWEGYINRK-ZETCQYMHSA-N 0 0 160.282 2.065 10 30 AEEERN C#C[C@H](CC)N[C@H]1CCCC1(F)F 307394166 346014149 /nfs/dbraw/zinc/01/41/49/346014149.db2.gz NATSIGFLSRUMQV-BDAKNGLRSA-N 0 0 187.233 2.176 10 30 AEEERN CO[C@]1(C=O)CCC[C@@H](C)CC1 307394328 346013998 /nfs/dbraw/zinc/01/39/98/346013998.db2.gz DGAQCSNUGYBEFW-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN CO[C@]1(C=O)CCC[C@H](C)CC1 307394330 346014049 /nfs/dbraw/zinc/01/40/49/346014049.db2.gz DGAQCSNUGYBEFW-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN C#C[C@@H](CC)N[C@H]1CCCC1(F)F 307394168 346014079 /nfs/dbraw/zinc/01/40/79/346014079.db2.gz NATSIGFLSRUMQV-IUCAKERBSA-N 0 0 187.233 2.176 10 30 AEEERN CO[C@@]1(C=O)CCC[C@H](C)CC1 307394329 346014109 /nfs/dbraw/zinc/01/41/09/346014109.db2.gz DGAQCSNUGYBEFW-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN C#C[C@H](CC)N[C@@H]1CCCC1(F)F 307394169 346014140 /nfs/dbraw/zinc/01/41/40/346014140.db2.gz NATSIGFLSRUMQV-RKDXNWHRSA-N 0 0 187.233 2.176 10 30 AEEERN CO[C@@]1(C=O)CCC[C@@H](C)CC1 307394331 346014184 /nfs/dbraw/zinc/01/41/84/346014184.db2.gz DGAQCSNUGYBEFW-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN C#C[C@@H](CC)N[C@@H]1CCCC1(F)F 307394167 346014228 /nfs/dbraw/zinc/01/42/28/346014228.db2.gz NATSIGFLSRUMQV-DTWKUNHWSA-N 0 0 187.233 2.176 10 30 AEEERN N#Cc1cc(C=O)ccc1C(F)(F)F 307395385 346015085 /nfs/dbraw/zinc/01/50/85/346015085.db2.gz HFGQLXCDZIYFJF-UHFFFAOYSA-N 0 0 199.131 2.390 10 30 AEEERN C[C@](O)(CC#N)[C@@H]1CC2CCC1CC2 307395332 346015087 /nfs/dbraw/zinc/01/50/87/346015087.db2.gz NMWHVFQWJAWGKT-HCWSGVFWSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@@](O)(CC#N)[C@@H]1CC2CCC1CC2 307395333 346015115 /nfs/dbraw/zinc/01/51/15/346015115.db2.gz NMWHVFQWJAWGKT-KIDURHIOSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@@](O)(CC#N)[C@H]1CC2CCC1CC2 307395334 346015267 /nfs/dbraw/zinc/01/52/67/346015267.db2.gz NMWHVFQWJAWGKT-MMVSWEMESA-N 0 0 193.290 2.477 10 30 AEEERN C#CCC1(O)CCC(CSC)CC1 307398046 346016984 /nfs/dbraw/zinc/01/69/84/346016984.db2.gz SHUUYYPGSNCUTM-UHFFFAOYSA-N 0 0 198.331 2.294 10 30 AEEERN C=CCSc1cccn1C 307400036 346018514 /nfs/dbraw/zinc/01/85/14/346018514.db2.gz YLSRVTOMSTYXCW-UHFFFAOYSA-N 0 0 153.250 2.303 10 30 AEEERN CC[C@@H]1CC[C@@](C=O)([C@@H]2CCOC2)C1 307404431 346021767 /nfs/dbraw/zinc/02/17/67/346021767.db2.gz DFRFCXVAMQRKSL-IJLUTSLNSA-N 0 0 196.290 2.418 10 30 AEEERN CC[C@@H]1CC[C@@](C=O)([C@H]2CCOC2)C1 307404430 346021818 /nfs/dbraw/zinc/02/18/18/346021818.db2.gz DFRFCXVAMQRKSL-GRYCIOLGSA-N 0 0 196.290 2.418 10 30 AEEERN CC[C@@H]1CC[C@](C=O)([C@@H]2CCOC2)C1 307404433 346022002 /nfs/dbraw/zinc/02/20/02/346022002.db2.gz DFRFCXVAMQRKSL-UTUOFQBUSA-N 0 0 196.290 2.418 10 30 AEEERN CC[C@@H]1CC[C@](C=O)([C@H]2CCOC2)C1 307404434 346022016 /nfs/dbraw/zinc/02/20/16/346022016.db2.gz DFRFCXVAMQRKSL-WOPDTQHZSA-N 0 0 196.290 2.418 10 30 AEEERN CC(C)C[C@@]1(C=O)CCCS1 307406329 346023003 /nfs/dbraw/zinc/02/30/03/346023003.db2.gz FJSLMMSJLHNCNO-SECBINFHSA-N 0 0 172.293 2.497 10 30 AEEERN CC(C)C[C@]1(C=O)CCCS1 307406331 346023147 /nfs/dbraw/zinc/02/31/47/346023147.db2.gz FJSLMMSJLHNCNO-VIFPVBQESA-N 0 0 172.293 2.497 10 30 AEEERN N#CC1(Nc2ccccc2)CSC1 307407015 346023514 /nfs/dbraw/zinc/02/35/14/346023514.db2.gz GOJRCTXBMCWKST-UHFFFAOYSA-N 0 0 190.271 2.108 10 30 AEEERN CC(C)[C@H]1CC[C@H](CC#N)O1 307407445 346023562 /nfs/dbraw/zinc/02/35/62/346023562.db2.gz DPAIFEDZOCWKIK-RKDXNWHRSA-N 0 0 153.225 2.104 10 30 AEEERN CC(C)[C@H]1CC[C@@H](CC#N)O1 307407440 346023594 /nfs/dbraw/zinc/02/35/94/346023594.db2.gz DPAIFEDZOCWKIK-DTWKUNHWSA-N 0 0 153.225 2.104 10 30 AEEERN CC(=O)/C=C1/COc2ccccc2C1 307406513 346023825 /nfs/dbraw/zinc/02/38/25/346023825.db2.gz KOIYHACZHBXBGN-UXBLZVDNSA-N 0 0 188.226 2.137 10 30 AEEERN CC(C)[C@@H]1CC[C@@H](CC#N)O1 307407442 346023877 /nfs/dbraw/zinc/02/38/77/346023877.db2.gz DPAIFEDZOCWKIK-IUCAKERBSA-N 0 0 153.225 2.104 10 30 AEEERN CC(C)[C@@H]1CC[C@H](CC#N)O1 307407437 346023909 /nfs/dbraw/zinc/02/39/09/346023909.db2.gz DPAIFEDZOCWKIK-BDAKNGLRSA-N 0 0 153.225 2.104 10 30 AEEERN C#CCC(=O)c1cc(CC)ccc1N 307408372 346024735 /nfs/dbraw/zinc/02/47/35/346024735.db2.gz FBCPDIJSNFGBJZ-UHFFFAOYSA-N 0 0 187.242 2.037 10 30 AEEERN Cc1cc(CC#N)c([N+](=O)[O-])cc1C 307409001 346025470 /nfs/dbraw/zinc/02/54/70/346025470.db2.gz IBTZQGPVMCXBIR-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN C=CC(=O)c1ccc(C#N)c(F)c1 307413407 346027866 /nfs/dbraw/zinc/02/78/66/346027866.db2.gz JBQKGINHNZKJIY-UHFFFAOYSA-N 0 0 175.162 2.066 10 30 AEEERN C=C1C[C@@H](O)c2cc(F)ccc21 307414041 346028544 /nfs/dbraw/zinc/02/85/44/346028544.db2.gz IVZFRABCAWYRQI-SNVBAGLBSA-N 0 0 164.179 2.276 10 30 AEEERN C#CCCNc1cscc1C 307414828 346029154 /nfs/dbraw/zinc/02/91/54/346029154.db2.gz KDPFDKYPJZHDOU-UHFFFAOYSA-N 0 0 165.261 2.492 10 30 AEEERN O=C1CCC=C1C1=CCCC1 307417039 346029963 /nfs/dbraw/zinc/02/99/63/346029963.db2.gz FSXVENUHDFDBCT-UHFFFAOYSA-N 0 0 148.205 2.386 10 30 AEEERN C[C@@H](C#N)Nc1ccc(C#N)c(F)c1 307417486 346030668 /nfs/dbraw/zinc/03/06/68/346030668.db2.gz GAJNOKATUPLIEY-ZETCQYMHSA-N 0 0 189.193 2.021 10 30 AEEERN C[C@H](C#N)Nc1ccc(C#N)c(F)c1 307417483 346030717 /nfs/dbraw/zinc/03/07/17/346030717.db2.gz GAJNOKATUPLIEY-SSDOTTSWSA-N 0 0 189.193 2.021 10 30 AEEERN CC(C)(C#N)Cc1cncc(F)c1 307419970 346031484 /nfs/dbraw/zinc/03/14/84/346031484.db2.gz YLMAGXDKJZYKHX-UHFFFAOYSA-N 0 0 178.210 2.313 10 30 AEEERN O=CC[C@@H]1CCCC1(F)F 307420357 346031525 /nfs/dbraw/zinc/03/15/25/346031525.db2.gz NQXZLFMZGMVBHO-LURJTMIESA-N 0 0 148.152 2.011 10 30 AEEERN O=CC[C@H]1CCCC1(F)F 307420358 346031755 /nfs/dbraw/zinc/03/17/55/346031755.db2.gz NQXZLFMZGMVBHO-ZCFIWIBFSA-N 0 0 148.152 2.011 10 30 AEEERN C[C@@H]1CCC[C@](C#N)([C@@H](C)CO)C1 307420813 346031990 /nfs/dbraw/zinc/03/19/90/346031990.db2.gz ZRFPHDRYPJGBAI-VWYCJHECSA-N 0 0 181.279 2.335 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)([C@@H](C)CO)C1 307420810 346032018 /nfs/dbraw/zinc/03/20/18/346032018.db2.gz ZRFPHDRYPJGBAI-OUAUKWLOSA-N 0 0 181.279 2.335 10 30 AEEERN C[C@H](CO)[C@]1(C#N)CCC[C@@H](C)C1 307420802 346032079 /nfs/dbraw/zinc/03/20/79/346032079.db2.gz ZRFPHDRYPJGBAI-GMTAPVOTSA-N 0 0 181.279 2.335 10 30 AEEERN C[C@H](CO)[C@@]1(C#N)CCC[C@@H](C)C1 307420807 346032097 /nfs/dbraw/zinc/03/20/97/346032097.db2.gz ZRFPHDRYPJGBAI-MXWKQRLJSA-N 0 0 181.279 2.335 10 30 AEEERN N#CC1(c2cccnn2)CCCCC1 307421045 346032123 /nfs/dbraw/zinc/03/21/23/346032123.db2.gz RIRKOZNSMAGHAC-UHFFFAOYSA-N 0 0 187.246 2.202 10 30 AEEERN C[C@H](F)CCNc1ncccc1C#N 307421171 346032194 /nfs/dbraw/zinc/03/21/94/346032194.db2.gz MIWJBZLDEHUUDX-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN CC1([C@]2(C)CCC[C@@H](C=O)O2)CC1 307422607 346032557 /nfs/dbraw/zinc/03/25/57/346032557.db2.gz CBOLHHHUHVWDRH-ONGXEEELSA-N 0 0 182.263 2.313 10 30 AEEERN N#C[C@@]1(C2CCC2)CCCCC1=O 307422424 346032544 /nfs/dbraw/zinc/03/25/44/346032544.db2.gz MWJJAIKHWUVFKJ-LLVKDONJSA-N 0 0 177.247 2.440 10 30 AEEERN CC1([C@@]2(C)CCC[C@@H](C=O)O2)CC1 307422603 346032562 /nfs/dbraw/zinc/03/25/62/346032562.db2.gz CBOLHHHUHVWDRH-GXSJLCMTSA-N 0 0 182.263 2.313 10 30 AEEERN N#C[C@]1(C2CCC2)CCCCC1=O 307422431 346032570 /nfs/dbraw/zinc/03/25/70/346032570.db2.gz MWJJAIKHWUVFKJ-NSHDSACASA-N 0 0 177.247 2.440 10 30 AEEERN CC1([C@]2(C)CCC[C@H](C=O)O2)CC1 307422604 346032713 /nfs/dbraw/zinc/03/27/13/346032713.db2.gz CBOLHHHUHVWDRH-KOLCDFICSA-N 0 0 182.263 2.313 10 30 AEEERN CC1([C@@]2(C)CCC[C@H](C=O)O2)CC1 307422606 346032727 /nfs/dbraw/zinc/03/27/27/346032727.db2.gz CBOLHHHUHVWDRH-MWLCHTKSSA-N 0 0 182.263 2.313 10 30 AEEERN C#CCCC[C@]1(C#N)CCCCC1=O 307423376 346032998 /nfs/dbraw/zinc/03/29/98/346032998.db2.gz PIKSJBYGHTYILU-GFCCVEGCSA-N 0 0 189.258 2.443 10 30 AEEERN C#CCCC[C@@]1(C#N)CCCCC1=O 307423380 346033185 /nfs/dbraw/zinc/03/31/85/346033185.db2.gz PIKSJBYGHTYILU-LBPRGKRZSA-N 0 0 189.258 2.443 10 30 AEEERN CCc1c(F)ccc(F)c1C#N 307423895 346033253 /nfs/dbraw/zinc/03/32/53/346033253.db2.gz CSJLPKBMBWJVNK-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN COc1cc(C)cc(C#N)c1C 307427018 346034659 /nfs/dbraw/zinc/03/46/59/346034659.db2.gz GHLFNVNARKJCKM-UHFFFAOYSA-N 0 0 161.204 2.184 10 30 AEEERN Cc1ccc(Cl)c([N+](=O)[O-])c1C#N 307427868 346034804 /nfs/dbraw/zinc/03/48/04/346034804.db2.gz HDWGYMOXBKSQIV-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN O=C1C=CO[C@]2(CCC[C@H]3C[C@H]32)C1 307427688 346034824 /nfs/dbraw/zinc/03/48/24/346034824.db2.gz RTJRXRXIMMBRAO-JMJZKYOTSA-N 0 0 178.231 2.048 10 30 AEEERN O=C1C=CO[C@]2(CCC[C@@H]3C[C@@H]32)C1 307427683 346034858 /nfs/dbraw/zinc/03/48/58/346034858.db2.gz RTJRXRXIMMBRAO-DVVUODLYSA-N 0 0 178.231 2.048 10 30 AEEERN C=C(C)[C@@H](O)[C@@H]1CCCSC1 307428759 346035253 /nfs/dbraw/zinc/03/52/53/346035253.db2.gz AUIUUHFPYUAEFX-RKDXNWHRSA-N 0 0 172.293 2.067 10 30 AEEERN N#C[C@@]1([C@@H]2CCCOC2)CCCS1 307428321 346035043 /nfs/dbraw/zinc/03/50/43/346035043.db2.gz SJFSOQRGXLKJHD-NXEZZACHSA-N 0 0 197.303 2.202 10 30 AEEERN C=C(C)[C@@H](O)[C@H]1CCCSC1 307428757 346035072 /nfs/dbraw/zinc/03/50/72/346035072.db2.gz AUIUUHFPYUAEFX-DTWKUNHWSA-N 0 0 172.293 2.067 10 30 AEEERN Cc1c(F)ccc(CC#N)c1[N+](=O)[O-] 307429034 346035079 /nfs/dbraw/zinc/03/50/79/346035079.db2.gz SYHVWEIRFYYMRX-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN C=C(C)[C@H](O)[C@@H]1CCCSC1 307428756 346035136 /nfs/dbraw/zinc/03/51/36/346035136.db2.gz AUIUUHFPYUAEFX-BDAKNGLRSA-N 0 0 172.293 2.067 10 30 AEEERN N#C[C@]1([C@@H]2CCCOC2)CCCS1 307428345 346035196 /nfs/dbraw/zinc/03/51/96/346035196.db2.gz SJFSOQRGXLKJHD-ZJUUUORDSA-N 0 0 197.303 2.202 10 30 AEEERN N#C[C@]1([C@H]2CCCOC2)CCCS1 307428329 346035277 /nfs/dbraw/zinc/03/52/77/346035277.db2.gz SJFSOQRGXLKJHD-UWVGGRQHSA-N 0 0 197.303 2.202 10 30 AEEERN C=C(C)[C@H](O)[C@H]1CCCSC1 307428758 346035289 /nfs/dbraw/zinc/03/52/89/346035289.db2.gz AUIUUHFPYUAEFX-IUCAKERBSA-N 0 0 172.293 2.067 10 30 AEEERN N#C[C@@]1([C@H]2CCCOC2)CCCS1 307428337 346035382 /nfs/dbraw/zinc/03/53/82/346035382.db2.gz SJFSOQRGXLKJHD-VHSXEESVSA-N 0 0 197.303 2.202 10 30 AEEERN CC#CCSCC1CCOCC1 307430364 346035736 /nfs/dbraw/zinc/03/57/36/346035736.db2.gz VNZOZDKFAPKUEN-UHFFFAOYSA-N 0 0 184.304 2.170 10 30 AEEERN CC[C@@H]1CCC[C@@H]([C@H](N)C#N)C1 307432546 346036720 /nfs/dbraw/zinc/03/67/20/346036720.db2.gz MXBDUOFXMMDEBH-OPRDCNLKSA-N 0 0 166.268 2.054 10 30 AEEERN CC[C@@H]1CCC[C@H]([C@H](N)C#N)C1 307432545 346036858 /nfs/dbraw/zinc/03/68/58/346036858.db2.gz MXBDUOFXMMDEBH-KXUCPTDWSA-N 0 0 166.268 2.054 10 30 AEEERN CC[C@@H]1CCC[C@H]([C@@H](N)C#N)C1 307432547 346036862 /nfs/dbraw/zinc/03/68/62/346036862.db2.gz MXBDUOFXMMDEBH-UTLUCORTSA-N 0 0 166.268 2.054 10 30 AEEERN CC[C@@H]1CCC[C@@H]([C@@H](N)C#N)C1 307432544 346036878 /nfs/dbraw/zinc/03/68/78/346036878.db2.gz MXBDUOFXMMDEBH-BBBLOLIVSA-N 0 0 166.268 2.054 10 30 AEEERN C/C=C/CNc1ccc(C#N)c(C)n1 307433104 346037390 /nfs/dbraw/zinc/03/73/90/346037390.db2.gz JFFGLEFEEHHESX-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN CC(C)(C)OCn1cccc1C#N 307438513 346040267 /nfs/dbraw/zinc/04/02/67/346040267.db2.gz MQIHBAYBFQJNKN-UHFFFAOYSA-N 0 0 178.235 2.132 10 30 AEEERN CCc1cc(F)cc(C#N)c1F 307439698 346041425 /nfs/dbraw/zinc/04/14/25/346041425.db2.gz VRUJNBRLQAYFGK-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN CC#CCS[C@H](C)c1cnccn1 307441361 346041764 /nfs/dbraw/zinc/04/17/64/346041764.db2.gz ACDKFBKCEUUNIQ-SECBINFHSA-N 0 0 192.287 2.294 10 30 AEEERN C=C=CC(=O)c1sccc1F 307441365 346041788 /nfs/dbraw/zinc/04/17/88/346041788.db2.gz AMCAKLCMKQZALB-UHFFFAOYSA-N 0 0 168.192 2.093 10 30 AEEERN COc1cc(C)cc(CC#N)c1C 307441170 346041866 /nfs/dbraw/zinc/04/18/66/346041866.db2.gz YZGJKGXNEGOUKR-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN CC#CCS[C@@H](C)c1cnccn1 307441364 346041880 /nfs/dbraw/zinc/04/18/80/346041880.db2.gz ACDKFBKCEUUNIQ-VIFPVBQESA-N 0 0 192.287 2.294 10 30 AEEERN C=C(C)CSCCOCC 307441368 346041919 /nfs/dbraw/zinc/04/19/19/346041919.db2.gz ACLBDDVVFJTNTQ-UHFFFAOYSA-N 0 0 160.282 2.332 10 30 AEEERN C=C(C)CNc1cnc(Cl)cn1 307442453 346043141 /nfs/dbraw/zinc/04/31/41/346043141.db2.gz ADZPYJTXUCNUPD-UHFFFAOYSA-N 0 0 183.642 2.118 10 30 AEEERN CN(CC#N)CC1(C)CCCC1 307444439 346044055 /nfs/dbraw/zinc/04/40/55/346044055.db2.gz OQUVPEYRFNNGJC-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN CC[C@@H](C#N)N[C@@H]1[C@H]2CCCC[C@H]21 307445963 346045063 /nfs/dbraw/zinc/04/50/63/346045063.db2.gz GFASAYCGOWYZQF-UKKRHICBSA-N 0 0 178.279 2.067 10 30 AEEERN CC[C@H](C#N)N[C@@H]1[C@H]2CCCC[C@H]21 307445966 346045182 /nfs/dbraw/zinc/04/51/82/346045182.db2.gz GFASAYCGOWYZQF-ZNSHCXBVSA-N 0 0 178.279 2.067 10 30 AEEERN Cc1cc(Cl)c([N+](=O)[O-])c(C#N)c1 307446738 346045767 /nfs/dbraw/zinc/04/57/67/346045767.db2.gz XBWAUTREZUPSCR-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN Cc1cc([N+](=O)[O-])c(CC#N)cc1F 307449205 346047061 /nfs/dbraw/zinc/04/70/61/346047061.db2.gz NHXHQSMGRBVLLG-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CC(=O)c1cc(F)cc(F)c1C#N 307450882 346048182 /nfs/dbraw/zinc/04/81/82/346048182.db2.gz QNBGKDJPHDYIIT-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN O=[N+]([O-])c1ccc(CS)cc1F 307450727 346048250 /nfs/dbraw/zinc/04/82/50/346048250.db2.gz CAFTUUXFTACDJV-UHFFFAOYSA-N 0 0 187.195 2.164 10 30 AEEERN CCOc1cc(F)cc(C#N)c1F 307453067 346049233 /nfs/dbraw/zinc/04/92/33/346049233.db2.gz YZKHFFOVLUDHTO-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN C[C@@H]1CC[C@@]1(C#N)NC1CCCC1 307455276 346050881 /nfs/dbraw/zinc/05/08/81/346050881.db2.gz XDNHRHGNNSPYHZ-KOLCDFICSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H]1CC[C@]1(C#N)NC1CCCC1 307455274 346051049 /nfs/dbraw/zinc/05/10/49/346051049.db2.gz XDNHRHGNNSPYHZ-GXSJLCMTSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H]1CC[C@]1(C#N)NC1CCCC1 307455278 346051134 /nfs/dbraw/zinc/05/11/34/346051134.db2.gz XDNHRHGNNSPYHZ-MWLCHTKSSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H]1CC[C@@]1(C#N)NC1CCCC1 307455280 346051177 /nfs/dbraw/zinc/05/11/77/346051177.db2.gz XDNHRHGNNSPYHZ-ONGXEEELSA-N 0 0 178.279 2.211 10 30 AEEERN CCNc1c(Cl)nsc1C#N 307456207 346051503 /nfs/dbraw/zinc/05/15/03/346051503.db2.gz DKJQCEPXPFSUPC-UHFFFAOYSA-N 0 0 187.655 2.100 10 30 AEEERN CC1(C)CC[C@H]1NC1=CC(=O)CC1 307457059 346052230 /nfs/dbraw/zinc/05/22/30/346052230.db2.gz FGYSHWQWFSSRKP-SNVBAGLBSA-N 0 0 179.263 2.011 10 30 AEEERN CC1(C)CC[C@@H]1NC1=CC(=O)CC1 307457057 346052379 /nfs/dbraw/zinc/05/23/79/346052379.db2.gz FGYSHWQWFSSRKP-JTQLQIEISA-N 0 0 179.263 2.011 10 30 AEEERN C#CCS[C@@H](C)c1cnc(C)cn1 307458224 346052757 /nfs/dbraw/zinc/05/27/57/346052757.db2.gz ACSVJXPAKACJDP-VIFPVBQESA-N 0 0 192.287 2.212 10 30 AEEERN N#Cc1ccc(C(=O)C2CC2)cc1F 307461227 346054537 /nfs/dbraw/zinc/05/45/37/346054537.db2.gz FOHXDZQUUFQIJZ-UHFFFAOYSA-N 0 0 189.189 2.290 10 30 AEEERN CC[C@H]1CC[C@H](C=O)CC1 307462271 346054996 /nfs/dbraw/zinc/05/49/96/346054996.db2.gz GJRARBLKMCCJFO-KYZUINATSA-N 0 0 140.226 2.402 10 30 AEEERN CC(C)[C@@H](C)[C@H](C#N)N1CCCC1 307466583 346057568 /nfs/dbraw/zinc/05/75/68/346057568.db2.gz ODIXXCAMLBLMDQ-MNOVXSKESA-N 0 0 180.295 2.266 10 30 AEEERN CC(C)[C@H](C)[C@@H](C#N)N1CCCC1 307466585 346057703 /nfs/dbraw/zinc/05/77/03/346057703.db2.gz ODIXXCAMLBLMDQ-WDEREUQCSA-N 0 0 180.295 2.266 10 30 AEEERN CC(C)[C@@H](C)[C@@H](C#N)N1CCCC1 307466582 346057748 /nfs/dbraw/zinc/05/77/48/346057748.db2.gz ODIXXCAMLBLMDQ-GHMZBOCLSA-N 0 0 180.295 2.266 10 30 AEEERN CC(C)[C@H](C)[C@H](C#N)N1CCCC1 307466584 346057825 /nfs/dbraw/zinc/05/78/25/346057825.db2.gz ODIXXCAMLBLMDQ-QWRGUYRKSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@H](C)[C@@]1(C)CC[C@H](C=O)O1 307468716 346058622 /nfs/dbraw/zinc/05/86/22/346058622.db2.gz MZLHISWJTGLGFN-IVZWLZJFSA-N 0 0 170.252 2.169 10 30 AEEERN CC[C@H](C)[C@@]1(C)CC[C@@H](C=O)O1 307468718 346058795 /nfs/dbraw/zinc/05/87/95/346058795.db2.gz MZLHISWJTGLGFN-LPEHRKFASA-N 0 0 170.252 2.169 10 30 AEEERN Cc1cc(O)c(C)c(CC#N)c1 307468681 346058799 /nfs/dbraw/zinc/05/87/99/346058799.db2.gz RTFNFYPPMBAGDW-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN CC[C@H](C)[C@]1(C)CC[C@@H](C=O)O1 307468715 346058809 /nfs/dbraw/zinc/05/88/09/346058809.db2.gz MZLHISWJTGLGFN-GUBZILKMSA-N 0 0 170.252 2.169 10 30 AEEERN CCCn1ccnc1C1=CCCC1=O 307469009 346058819 /nfs/dbraw/zinc/05/88/19/346058819.db2.gz SHAWRRKBPBNQEY-UHFFFAOYSA-N 0 0 190.246 2.039 10 30 AEEERN C[C@H]1[C@H](O)CCC2=CC(=O)CC[C@@]21C 307472368 346060938 /nfs/dbraw/zinc/06/09/38/346060938.db2.gz QONBEUKACKFSSU-XXILOJSOSA-N 0 0 194.274 2.073 10 30 AEEERN C=C[C@H](O)CSC(C)(C)C 307477383 346064073 /nfs/dbraw/zinc/06/40/73/346064073.db2.gz CYPARTHIFAYEGD-ZETCQYMHSA-N 0 0 160.282 2.065 10 30 AEEERN C=C[C@@H](O)CSC(C)(C)C 307477382 346064115 /nfs/dbraw/zinc/06/41/15/346064115.db2.gz CYPARTHIFAYEGD-SSDOTTSWSA-N 0 0 160.282 2.065 10 30 AEEERN CC1(C)CC2(CC[C@@](C)(C=O)O2)C1 307476940 346064123 /nfs/dbraw/zinc/06/41/23/346064123.db2.gz VDIRZMAYMKDSNY-JTQLQIEISA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CC2(CC[C@](C)(C=O)O2)C1 307476941 346064189 /nfs/dbraw/zinc/06/41/89/346064189.db2.gz VDIRZMAYMKDSNY-SNVBAGLBSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@](C)(C#N)N1CC(C)(C)C1 307479124 346065160 /nfs/dbraw/zinc/06/51/60/346065160.db2.gz FOOQHGAEEWOOHP-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@](C)(C#N)N1CC(C)(C)C1 307479122 346065423 /nfs/dbraw/zinc/06/54/23/346065423.db2.gz FOOQHGAEEWOOHP-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN C=CC(=O)c1ccc2c(n1)CCCC2 307484153 346068535 /nfs/dbraw/zinc/06/85/35/346068535.db2.gz AYISSWUPPVNASD-UHFFFAOYSA-N 0 0 187.242 2.329 10 30 AEEERN O=C1CCCC=C1c1ccns1 307487397 346069820 /nfs/dbraw/zinc/06/98/20/346069820.db2.gz CNOORIASQGKMBR-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN Cc1ccc(C2=CCCC2=O)cn1 307488989 346070574 /nfs/dbraw/zinc/07/05/74/346070574.db2.gz FWMAWZKTWQKSDK-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN C[C@@]1(C2CCC2)CCC[C@H](C=O)O1 307492082 346072189 /nfs/dbraw/zinc/07/21/89/346072189.db2.gz PXOBSSPWQDRDMV-MNOVXSKESA-N 0 0 182.263 2.313 10 30 AEEERN Cc1cnc(C#N)cc1C(F)(F)F 307491700 346072196 /nfs/dbraw/zinc/07/21/96/346072196.db2.gz IEKMXCNFVZXHTP-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C[C@@]1(C2CCC2)CCC[C@@H](C=O)O1 307492084 346072198 /nfs/dbraw/zinc/07/21/98/346072198.db2.gz PXOBSSPWQDRDMV-QWRGUYRKSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@]1(C2CCC2)CCC[C@H](C=O)O1 307492081 346072271 /nfs/dbraw/zinc/07/22/71/346072271.db2.gz PXOBSSPWQDRDMV-GHMZBOCLSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@]1(C2CCC2)CCC[C@@H](C=O)O1 307492085 346072466 /nfs/dbraw/zinc/07/24/66/346072466.db2.gz PXOBSSPWQDRDMV-WDEREUQCSA-N 0 0 182.263 2.313 10 30 AEEERN C=CCS[C@@H](C)CC(C)=O 307497480 346075486 /nfs/dbraw/zinc/07/54/86/346075486.db2.gz DEMBDPXFSSGDHA-QMMMGPOBSA-N 0 0 158.266 2.273 10 30 AEEERN C=CCS[C@H](C)CC(C)=O 307497478 346075506 /nfs/dbraw/zinc/07/55/06/346075506.db2.gz DEMBDPXFSSGDHA-MRVPVSSYSA-N 0 0 158.266 2.273 10 30 AEEERN C[C@@H]1CN([C@@H](C)C#N)C(C)(C)C1 307498477 346075992 /nfs/dbraw/zinc/07/59/92/346075992.db2.gz KMNYXZKCIXWEOY-IUCAKERBSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H](C#N)N1C[C@H](C)CC1(C)C 307498473 346076035 /nfs/dbraw/zinc/07/60/35/346076035.db2.gz KMNYXZKCIXWEOY-BDAKNGLRSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H]1CN([C@H](C)C#N)C(C)(C)C1 307498475 346076081 /nfs/dbraw/zinc/07/60/81/346076081.db2.gz KMNYXZKCIXWEOY-DTWKUNHWSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@H]1CN([C@H](C)C#N)C(C)(C)C1 307498482 346076093 /nfs/dbraw/zinc/07/60/93/346076093.db2.gz KMNYXZKCIXWEOY-RKDXNWHRSA-N 0 0 166.268 2.019 10 30 AEEERN C=C(C)CNc1ncc(C)c(C)n1 307501783 346077824 /nfs/dbraw/zinc/07/78/24/346077824.db2.gz VEZRZZWWOFYBTL-UHFFFAOYSA-N 0 0 177.251 2.081 10 30 AEEERN C#CCNc1nsc2ccccc12 307503893 346079058 /nfs/dbraw/zinc/07/90/58/346079058.db2.gz WMRHYXCURASPEN-UHFFFAOYSA-N 0 0 188.255 2.341 10 30 AEEERN N/N=C/c1c(Cl)[nH]c2ccccc12 307504561 346079395 /nfs/dbraw/zinc/07/93/95/346079395.db2.gz WUZDQJFTGNCDRM-LFYBBSHMSA-N 0 0 193.637 2.114 10 30 AEEERN C[C@@H]1CCC[C@@](O)(CCC=O)[C@@H]1C 307504654 346079486 /nfs/dbraw/zinc/07/94/86/346079486.db2.gz YNIIVZLGUCVFLM-GMTAPVOTSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@@]1(O)CCC=O 307504658 346079503 /nfs/dbraw/zinc/07/95/03/346079503.db2.gz YNIIVZLGUCVFLM-OUAUKWLOSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H]1CCC[C@](O)(CCC=O)[C@@H]1C 307504657 346079522 /nfs/dbraw/zinc/07/95/22/346079522.db2.gz YNIIVZLGUCVFLM-MXWKQRLJSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@H]1[C@H](C)CCC[C@]1(O)CCC=O 307504659 346079527 /nfs/dbraw/zinc/07/95/27/346079527.db2.gz YNIIVZLGUCVFLM-VWYCJHECSA-N 0 0 184.279 2.153 10 30 AEEERN CC1(C)CC(C)(C)C(C=O)=C1O 307506481 346079819 /nfs/dbraw/zinc/07/98/19/346079819.db2.gz YHJDOFKPSBIPDI-ALCCZGGFSA-N 0 0 168.236 2.454 10 30 AEEERN N#CC1([C@H]2CCOC2)CCCC1 307510863 346082365 /nfs/dbraw/zinc/08/23/65/346082365.db2.gz CWLYDKCZSSNSER-VIFPVBQESA-N 0 0 165.236 2.107 10 30 AEEERN C=C(C)CCSCC(C)=O 307510517 346082392 /nfs/dbraw/zinc/08/23/92/346082392.db2.gz VYHNMZFLTXMSGK-UHFFFAOYSA-N 0 0 158.266 2.275 10 30 AEEERN CC(C)NC1(C#N)CC(C)(C)C1 307510550 346082449 /nfs/dbraw/zinc/08/24/49/346082449.db2.gz OMLCNJXRSBOYML-UHFFFAOYSA-N 0 0 166.268 2.067 10 30 AEEERN N#CC1([C@@H]2CCOC2)CCCC1 307510856 346082617 /nfs/dbraw/zinc/08/26/17/346082617.db2.gz CWLYDKCZSSNSER-SECBINFHSA-N 0 0 165.236 2.107 10 30 AEEERN C#C[C@@H](NC)c1cc(F)ccc1Cl 307512556 346083394 /nfs/dbraw/zinc/08/33/94/346083394.db2.gz MPNJRUKONIEOJX-SNVBAGLBSA-N 0 0 197.640 2.373 10 30 AEEERN C#C[C@H](NC)c1cc(F)ccc1Cl 307512555 346083626 /nfs/dbraw/zinc/08/36/26/346083626.db2.gz MPNJRUKONIEOJX-JTQLQIEISA-N 0 0 197.640 2.373 10 30 AEEERN C=CCNc1cc(OC)c(N)cc1C 307515476 346085594 /nfs/dbraw/zinc/08/55/94/346085594.db2.gz MUQXYWDOFIGIRE-UHFFFAOYSA-N 0 0 192.262 2.184 10 30 AEEERN Cc1ccc([C@@H]2CCC[C@H](C=O)O2)o1 307516407 346086159 /nfs/dbraw/zinc/08/61/59/346086159.db2.gz GVCVTKFODROAFY-ZJUUUORDSA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccc([C@H]2CCC[C@@H](C=O)O2)o1 307516406 346086168 /nfs/dbraw/zinc/08/61/68/346086168.db2.gz GVCVTKFODROAFY-VHSXEESVSA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccc([C@@H]2CCC[C@@H](C=O)O2)o1 307516405 346086280 /nfs/dbraw/zinc/08/62/80/346086280.db2.gz GVCVTKFODROAFY-UWVGGRQHSA-N 0 0 194.230 2.397 10 30 AEEERN Cc1ccc([C@H]2CCC[C@H](C=O)O2)o1 307516404 346086300 /nfs/dbraw/zinc/08/63/00/346086300.db2.gz GVCVTKFODROAFY-NXEZZACHSA-N 0 0 194.230 2.397 10 30 AEEERN CC#CCC[C@@]1(C#N)CCCC1=O 307516782 346086828 /nfs/dbraw/zinc/08/68/28/346086828.db2.gz HNWGZRQPHSIIGF-NSHDSACASA-N 0 0 175.231 2.053 10 30 AEEERN CCCOc1ccc(C#N)c(C)n1 307518678 346087820 /nfs/dbraw/zinc/08/78/20/346087820.db2.gz LLQMRUWNGDAAAV-UHFFFAOYSA-N 0 0 176.219 2.051 10 30 AEEERN CC[C@H](O)CC1(C#N)CCCC1 307519138 346087870 /nfs/dbraw/zinc/08/78/70/346087870.db2.gz ZZHJJPNNBGWRPK-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@@H](O)CC1(C#N)CCCC1 307519137 346087971 /nfs/dbraw/zinc/08/79/71/346087971.db2.gz ZZHJJPNNBGWRPK-SECBINFHSA-N 0 0 167.252 2.231 10 30 AEEERN C=C(C)CC1(C#N)CCOCC1 307519056 346088003 /nfs/dbraw/zinc/08/80/03/346088003.db2.gz MBIUZSYNHIXZBQ-UHFFFAOYSA-N 0 0 165.236 2.273 10 30 AEEERN N#Cc1cc(F)cc(NCCF)c1 307519727 346088559 /nfs/dbraw/zinc/08/85/59/346088559.db2.gz OFJYCIZKPRBEBF-UHFFFAOYSA-N 0 0 182.173 2.079 10 30 AEEERN C#CCCCC(C)(C)C#N 307520026 346088858 /nfs/dbraw/zinc/08/88/58/346088858.db2.gz PGPKMICFXYGDCL-UHFFFAOYSA-N 0 0 135.210 2.340 10 30 AEEERN C[C@@H]1C[C@H]1CNc1ccncc1C#N 307523132 346090324 /nfs/dbraw/zinc/09/03/24/346090324.db2.gz YTINMONIASHUED-BDAKNGLRSA-N 0 0 187.246 2.021 10 30 AEEERN Cc1ccoc1C(=O)C1=COCC1 307523085 346090404 /nfs/dbraw/zinc/09/04/04/346090404.db2.gz DFFNSSYKPSGQQO-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C[C@H]1C[C@@H]1CNc1ccncc1C#N 307523133 346090464 /nfs/dbraw/zinc/09/04/64/346090464.db2.gz YTINMONIASHUED-DTWKUNHWSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@@H]1C[C@@H]1CNc1ccncc1C#N 307523135 346090469 /nfs/dbraw/zinc/09/04/69/346090469.db2.gz YTINMONIASHUED-RKDXNWHRSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@H]1CNc1ccncc1C#N 307523134 346090471 /nfs/dbraw/zinc/09/04/71/346090471.db2.gz YTINMONIASHUED-IUCAKERBSA-N 0 0 187.246 2.021 10 30 AEEERN Fc1cc(N=NC2CCC2)ccn1 307523763 346090821 /nfs/dbraw/zinc/09/08/21/346090821.db2.gz ZKZGFEHUIGCIBG-UHFFFAOYSA-N 0 0 179.198 2.173 10 30 AEEERN CC(C)(C)CNc1ccncc1C#N 307525592 346092217 /nfs/dbraw/zinc/09/22/17/346092217.db2.gz JIONHTFTBPPBEK-UHFFFAOYSA-N 0 0 189.262 2.411 10 30 AEEERN Cc1c([N+](=O)[O-])ccc(C#N)c1Cl 307526715 346092578 /nfs/dbraw/zinc/09/25/78/346092578.db2.gz ILVNZXYYBCWBLT-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C[C@]1(C=O)CCC2(CCCC2)O1 307529213 346093663 /nfs/dbraw/zinc/09/36/63/346093663.db2.gz UJPGEHFPIZJWJB-SECBINFHSA-N 0 0 168.236 2.067 10 30 AEEERN C[C@@]1(C=O)CCC2(CCCC2)O1 307529214 346093765 /nfs/dbraw/zinc/09/37/65/346093765.db2.gz UJPGEHFPIZJWJB-VIFPVBQESA-N 0 0 168.236 2.067 10 30 AEEERN C#CCNCc1ccsc1Cl 307530190 346094474 /nfs/dbraw/zinc/09/44/74/346094474.db2.gz VLMZVTHMZSKDGZ-UHFFFAOYSA-N 0 0 185.679 2.124 10 30 AEEERN COc1cc(C)c(C)c(C#N)c1 307534185 346097186 /nfs/dbraw/zinc/09/71/86/346097186.db2.gz PGSPRTWZSIVBIE-UHFFFAOYSA-N 0 0 161.204 2.184 10 30 AEEERN C=C[C@H](C)NC(=O)Nc1cccs1 307535023 346097629 /nfs/dbraw/zinc/09/76/29/346097629.db2.gz NGSMMOQKBSQYHP-ZETCQYMHSA-N 0 0 196.275 2.444 10 30 AEEERN C=C[C@@H](C)NC(=O)Nc1cccs1 307535009 346097630 /nfs/dbraw/zinc/09/76/30/346097630.db2.gz NGSMMOQKBSQYHP-SSDOTTSWSA-N 0 0 196.275 2.444 10 30 AEEERN Cc1cc([N+](=O)[O-])cc(C)c1CC#N 307535709 346097705 /nfs/dbraw/zinc/09/77/05/346097705.db2.gz PBAVITMWZSVMQG-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN N#C[C@]1(C2CCCC2)CCCOC1 307537193 346098549 /nfs/dbraw/zinc/09/85/49/346098549.db2.gz OLMQWFWNCWAYAX-LLVKDONJSA-N 0 0 179.263 2.497 10 30 AEEERN C=C[C@H](C)Nc1c(N)cccc1F 307536643 346098588 /nfs/dbraw/zinc/09/85/88/346098588.db2.gz PVZOYUDVZSXRDU-ZETCQYMHSA-N 0 0 180.226 2.394 10 30 AEEERN C=C[C@@H](C)Nc1c(N)cccc1F 307536641 346098794 /nfs/dbraw/zinc/09/87/94/346098794.db2.gz PVZOYUDVZSXRDU-SSDOTTSWSA-N 0 0 180.226 2.394 10 30 AEEERN N#C[C@@]1(C2CCCC2)CCCOC1 307537197 346098835 /nfs/dbraw/zinc/09/88/35/346098835.db2.gz OLMQWFWNCWAYAX-NSHDSACASA-N 0 0 179.263 2.497 10 30 AEEERN C[C@@H]1CCC[C@@H](C[C@@](C)(O)C=O)C1 307538019 346099004 /nfs/dbraw/zinc/09/90/04/346099004.db2.gz PEDPKNGEDPAWFB-GMTAPVOTSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@H]1CCC[C@H](C[C@](C)(O)C=O)C1 307538048 346099026 /nfs/dbraw/zinc/09/90/26/346099026.db2.gz PEDPKNGEDPAWFB-VWYCJHECSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@]1(C=O)CC[C@@H](c2ccoc2)O1 307537577 346099042 /nfs/dbraw/zinc/09/90/42/346099042.db2.gz OVTPSGZWHLFNHU-VHSXEESVSA-N 0 0 180.203 2.089 10 30 AEEERN C[C@]1(C=O)CC[C@H](c2ccoc2)O1 307537575 346099063 /nfs/dbraw/zinc/09/90/63/346099063.db2.gz OVTPSGZWHLFNHU-NXEZZACHSA-N 0 0 180.203 2.089 10 30 AEEERN Cc1nccc(C#N)c1C(F)(F)F 307537696 346099079 /nfs/dbraw/zinc/09/90/79/346099079.db2.gz VXWVKEGMYYSWCT-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C[C@@]1(C=O)CC[C@H](c2ccoc2)O1 307537578 346099135 /nfs/dbraw/zinc/09/91/35/346099135.db2.gz OVTPSGZWHLFNHU-ZJUUUORDSA-N 0 0 180.203 2.089 10 30 AEEERN C[C@@H]1CCC[C@@H](C[C@](C)(O)C=O)C1 307538035 346099165 /nfs/dbraw/zinc/09/91/65/346099165.db2.gz PEDPKNGEDPAWFB-MXWKQRLJSA-N 0 0 184.279 2.153 10 30 AEEERN C[C@@]1(C=O)CC[C@@H](c2ccoc2)O1 307537576 346099279 /nfs/dbraw/zinc/09/92/79/346099279.db2.gz OVTPSGZWHLFNHU-UWVGGRQHSA-N 0 0 180.203 2.089 10 30 AEEERN C[C@@H]1CCC[C@H](C[C@@](C)(O)C=O)C1 307538047 346099385 /nfs/dbraw/zinc/09/93/85/346099385.db2.gz PEDPKNGEDPAWFB-OUAUKWLOSA-N 0 0 184.279 2.153 10 30 AEEERN Cc1ccc(C)c([N+](=O)[O-])c1CC#N 307539018 346099888 /nfs/dbraw/zinc/09/98/88/346099888.db2.gz SUTVEQTYOHDWAA-UHFFFAOYSA-N 0 0 190.202 2.278 10 30 AEEERN Cc1c(C#N)cncc1C(F)(F)F 307539945 346100252 /nfs/dbraw/zinc/10/02/52/346100252.db2.gz ZSQKVWYNVAFIBI-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN C#CCCC(=O)c1cccc(N)c1F 307542148 346102018 /nfs/dbraw/zinc/10/20/18/346102018.db2.gz YWKTYLGNUOYJMW-UHFFFAOYSA-N 0 0 191.205 2.004 10 30 AEEERN N#Cc1ccc(F)c(C(F)(F)F)n1 307544641 346103444 /nfs/dbraw/zinc/10/34/44/346103444.db2.gz HWYZZAGOJNWJHC-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN N#CCc1cccc(NC2CC2)c1 307544562 346103573 /nfs/dbraw/zinc/10/35/73/346103573.db2.gz HNPOUEPVHOEGQR-UHFFFAOYSA-N 0 0 172.231 2.327 10 30 AEEERN N#C[C@]1(C2CCCC2)CCCC1=O 307547514 346104979 /nfs/dbraw/zinc/10/49/79/346104979.db2.gz BCITYWCSVGUDSP-NSHDSACASA-N 0 0 177.247 2.440 10 30 AEEERN N#C[C@@]1(C2CCCC2)CCCC1=O 307547513 346105196 /nfs/dbraw/zinc/10/51/96/346105196.db2.gz BCITYWCSVGUDSP-LLVKDONJSA-N 0 0 177.247 2.440 10 30 AEEERN N#Cc1ccc(C(=O)C(F)F)cc1F 307547118 346105353 /nfs/dbraw/zinc/10/53/53/346105353.db2.gz LDYDLNKLECZLHO-UHFFFAOYSA-N 0 0 199.131 2.145 10 30 AEEERN CC#CCC(=O)CC1(C)CC1 307549171 346106311 /nfs/dbraw/zinc/10/63/11/346106311.db2.gz WJCBDTFEVIVNBZ-UHFFFAOYSA-N 0 0 150.221 2.159 10 30 AEEERN CC1CN(Cc2cc(C#N)cs2)C1 307550374 346107396 /nfs/dbraw/zinc/10/73/96/346107396.db2.gz OPOYGIUEGIIVTA-UHFFFAOYSA-N 0 0 192.287 2.071 10 30 AEEERN C=CCSc1nccnc1Cl 307551477 346107690 /nfs/dbraw/zinc/10/76/90/346107690.db2.gz ZEGXSHGUKWESRO-UHFFFAOYSA-N 0 0 186.667 2.408 10 30 AEEERN C/C=C/C(=O)CCCCF 307552880 346108317 /nfs/dbraw/zinc/10/83/17/346108317.db2.gz QUEIHUVGWGMAHX-GORDUTHDSA-N 0 0 144.189 2.271 10 30 AEEERN C#CCCNc1nc(C)ccc1Cl 307557216 346111225 /nfs/dbraw/zinc/11/12/25/346111225.db2.gz BMIXHMUESTUDNL-UHFFFAOYSA-N 0 0 194.665 2.479 10 30 AEEERN C=C[C@H](C)Nc1cc(C)c(C)nn1 307558003 346111670 /nfs/dbraw/zinc/11/16/70/346111670.db2.gz VOYNHNQXRPAFMH-QMMMGPOBSA-N 0 0 177.251 2.080 10 30 AEEERN C=C[C@@H](C)Nc1cc(C)c(C)nn1 307558000 346111754 /nfs/dbraw/zinc/11/17/54/346111754.db2.gz VOYNHNQXRPAFMH-MRVPVSSYSA-N 0 0 177.251 2.080 10 30 AEEERN C=CCSCC1CCOCC1 307558686 346112287 /nfs/dbraw/zinc/11/22/87/346112287.db2.gz DMROVDGWALEDTA-UHFFFAOYSA-N 0 0 172.293 2.332 10 30 AEEERN N#Cc1ccc(C2=CCCC2=O)s1 307560509 346112591 /nfs/dbraw/zinc/11/25/91/346112591.db2.gz QNQYTDXGURJPDW-UHFFFAOYSA-N 0 0 189.239 2.366 10 30 AEEERN CC[C@H](C)[C@@]1(C#N)CCCCN1 307560258 346112597 /nfs/dbraw/zinc/11/25/97/346112597.db2.gz HMBLGKZTQULHDJ-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H](C)[C@@]1(C#N)CCCCN1 307560261 346112686 /nfs/dbraw/zinc/11/26/86/346112686.db2.gz HMBLGKZTQULHDJ-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H](C)[C@]1(C#N)CCCCN1 307560257 346112819 /nfs/dbraw/zinc/11/28/19/346112819.db2.gz HMBLGKZTQULHDJ-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@H](C)[C@]1(C#N)CCCCN1 307560260 346112863 /nfs/dbraw/zinc/11/28/63/346112863.db2.gz HMBLGKZTQULHDJ-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN N#Cc1cc(C(F)(F)F)ncc1F 307563317 346114426 /nfs/dbraw/zinc/11/44/26/346114426.db2.gz XDPFFPIGRFEJQT-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN COc1cc(C#N)c(C)cc1C 307564705 346115824 /nfs/dbraw/zinc/11/58/24/346115824.db2.gz ZNRKAGCHMCFDLR-UHFFFAOYSA-N 0 0 161.204 2.184 10 30 AEEERN C=C(C)CSCc1ccno1 307565480 346116071 /nfs/dbraw/zinc/11/60/71/346116071.db2.gz MPHBKAYPGMGRHH-UHFFFAOYSA-N 0 0 169.249 2.484 10 30 AEEERN CC1(C)CCC[C@](O)(CCC=O)C1 307565405 346116212 /nfs/dbraw/zinc/11/62/12/346116212.db2.gz RJTSKFVJYSPFPA-NSHDSACASA-N 0 0 184.279 2.297 10 30 AEEERN CC(C)OC1(C#N)CCCC1 307568810 346118535 /nfs/dbraw/zinc/11/85/35/346118535.db2.gz UMGASCFRBCSZHK-UHFFFAOYSA-N 0 0 153.225 2.248 10 30 AEEERN N#C[C@]1(NC2CCCC2)CC[C@@H]2C[C@@H]21 307569361 346118669 /nfs/dbraw/zinc/11/86/69/346118669.db2.gz XIWSWEVHPPENKG-ADEWGFFLSA-N 0 0 190.290 2.211 10 30 AEEERN N#C[C@]1(NC2CCCC2)CC[C@H]2C[C@H]21 307569362 346118744 /nfs/dbraw/zinc/11/87/44/346118744.db2.gz XIWSWEVHPPENKG-MVWJERBFSA-N 0 0 190.290 2.211 10 30 AEEERN CC(C)O[C@H](C#N)c1nccs1 307571652 346120697 /nfs/dbraw/zinc/12/06/97/346120697.db2.gz YBWSKQIGCDWODI-SSDOTTSWSA-N 0 0 182.248 2.133 10 30 AEEERN C#CCC(=O)[C@@H]1CCCC[C@@H]1C 307571930 346120738 /nfs/dbraw/zinc/12/07/38/346120738.db2.gz DMTVBFXJSJFZPR-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)[C@H]1CCCC[C@@H]1C 307571928 346120779 /nfs/dbraw/zinc/12/07/79/346120779.db2.gz DMTVBFXJSJFZPR-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN C#CCC(=O)[C@H]1CCCC[C@H]1C 307571931 346120834 /nfs/dbraw/zinc/12/08/34/346120834.db2.gz DMTVBFXJSJFZPR-ZJUUUORDSA-N 0 0 164.248 2.405 10 30 AEEERN Cc1ccc(NCC(C)C)nc1C#N 307572213 346120863 /nfs/dbraw/zinc/12/08/63/346120863.db2.gz YOTJQOKXAKDCTC-UHFFFAOYSA-N 0 0 189.262 2.330 10 30 AEEERN CC(C)O[C@@H](C#N)c1nccs1 307571653 346120892 /nfs/dbraw/zinc/12/08/92/346120892.db2.gz YBWSKQIGCDWODI-ZETCQYMHSA-N 0 0 182.248 2.133 10 30 AEEERN C#CCC(=O)[C@@H]1CCCC[C@H]1C 307571926 346121079 /nfs/dbraw/zinc/12/10/79/346121079.db2.gz DMTVBFXJSJFZPR-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C=C([C@@H](O)C1(C)CC1)C(F)(F)F 307580381 346126176 /nfs/dbraw/zinc/12/61/76/346126176.db2.gz XDFHJMBSQKXXBI-ZCFIWIBFSA-N 0 0 180.169 2.266 10 30 AEEERN C=C([C@H](O)C1(C)CC1)C(F)(F)F 307580380 346126303 /nfs/dbraw/zinc/12/63/03/346126303.db2.gz XDFHJMBSQKXXBI-LURJTMIESA-N 0 0 180.169 2.266 10 30 AEEERN CC#CCC[C@@]1(C#N)CCCCC1=O 307581176 346126701 /nfs/dbraw/zinc/12/67/01/346126701.db2.gz FMWAHTQEOMKNHB-LBPRGKRZSA-N 0 0 189.258 2.443 10 30 AEEERN CC#CCC[C@]1(C#N)CCCCC1=O 307581175 346126719 /nfs/dbraw/zinc/12/67/19/346126719.db2.gz FMWAHTQEOMKNHB-GFCCVEGCSA-N 0 0 189.258 2.443 10 30 AEEERN CCC(C#N)(CC)N1CC(C)C1 307582328 346127141 /nfs/dbraw/zinc/12/71/41/346127141.db2.gz UWALNURPQUAPJF-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1cc(C2=CCCC2=O)sn1 307583437 346128215 /nfs/dbraw/zinc/12/82/15/346128215.db2.gz YNIIRAIGJHHCJY-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN C[C@@H](F)CCNc1ccc(C#N)cn1 307584406 346128543 /nfs/dbraw/zinc/12/85/43/346128543.db2.gz IGQLVBFZTUZEBU-MRVPVSSYSA-N 0 0 193.225 2.113 10 30 AEEERN C[C@H](F)CCNc1ccc(C#N)cn1 307584407 346128730 /nfs/dbraw/zinc/12/87/30/346128730.db2.gz IGQLVBFZTUZEBU-QMMMGPOBSA-N 0 0 193.225 2.113 10 30 AEEERN Fc1cc(F)c(F)c(C[C@@H]2CO2)c1 307585154 346129422 /nfs/dbraw/zinc/12/94/22/346129422.db2.gz KQGYURJQTXTFNI-SSDOTTSWSA-N 0 0 188.148 2.045 10 30 AEEERN N#CCNc1ccsc1Cl 307587518 346130806 /nfs/dbraw/zinc/13/08/06/346130806.db2.gz UJXAGRWJUFUPPR-UHFFFAOYSA-N 0 0 172.640 2.337 10 30 AEEERN CC1(C)CC(O)(C(C)(C)C#N)C1 307587649 346131095 /nfs/dbraw/zinc/13/10/95/346131095.db2.gz UUKFSNZIQSEAQO-UHFFFAOYSA-N 0 0 167.252 2.087 10 30 AEEERN C=C(C)C(=O)c1cncc(Cl)c1 307589214 346132222 /nfs/dbraw/zinc/13/22/22/346132222.db2.gz ZWEWLPTWHCWBPB-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN C/C=C/CNc1cc(N)c(C#N)s1 307589528 346132681 /nfs/dbraw/zinc/13/26/81/346132681.db2.gz FVHYWHFMNWYZMZ-NSCUHMNNSA-N 0 0 193.275 2.190 10 30 AEEERN Cc1csc2c(N)c(C#N)cnc12 307590542 346133052 /nfs/dbraw/zinc/13/30/52/346133052.db2.gz GNOAJTMGGVFITA-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN CC[C@@]1(C2CCCC2)CO1 307595153 346135737 /nfs/dbraw/zinc/13/57/37/346135737.db2.gz JWNAOPHFOXNHDC-VIFPVBQESA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@]1(C2CCCC2)CO1 307595152 346135883 /nfs/dbraw/zinc/13/58/83/346135883.db2.gz JWNAOPHFOXNHDC-SECBINFHSA-N 0 0 140.226 2.356 10 30 AEEERN CC(=O)/C=C(/C)C1CCC1 307595947 346136416 /nfs/dbraw/zinc/13/64/16/346136416.db2.gz LWQCJHFQHMRJNM-SREVYHEPSA-N 0 0 138.210 2.322 10 30 AEEERN COC1CCC(C#N)(OC(C)C)CC1 307596562 346136887 /nfs/dbraw/zinc/13/68/87/346136887.db2.gz MGWWOEDVJAPZBO-UHFFFAOYSA-N 0 0 197.278 2.263 10 30 AEEERN C=CCN(C)c1cc(C)c(F)cc1N 307599074 346138560 /nfs/dbraw/zinc/13/85/60/346138560.db2.gz QHAPILHHBBSTQW-UHFFFAOYSA-N 0 0 194.253 2.339 10 30 AEEERN CC#CCC(=O)C1CC(F)(F)C1 307600382 346138945 /nfs/dbraw/zinc/13/89/45/346138945.db2.gz QXAZAKDMYWNIMN-UHFFFAOYSA-N 0 0 172.174 2.014 10 30 AEEERN C=CC[C@@H](C)Nc1ncc(C)c(C)n1 307599703 346139033 /nfs/dbraw/zinc/13/90/33/346139033.db2.gz RJHIEXUNWXQGOQ-SECBINFHSA-N 0 0 191.278 2.470 10 30 AEEERN C=CC[C@H](C)Nc1ncc(C)c(C)n1 307599704 346139177 /nfs/dbraw/zinc/13/91/77/346139177.db2.gz RJHIEXUNWXQGOQ-VIFPVBQESA-N 0 0 191.278 2.470 10 30 AEEERN O=CC1=C(O)C2(CCCC2)CC1 307600554 346139440 /nfs/dbraw/zinc/13/94/40/346139440.db2.gz SPRHWGPZVSGKTM-FPLPWBNLSA-N 0 0 166.220 2.352 10 30 AEEERN C=C(C)C(=O)c1cocc1C 307604885 346141814 /nfs/dbraw/zinc/14/18/14/346141814.db2.gz XERWZEXPDUVDTI-UHFFFAOYSA-N 0 0 150.177 2.347 10 30 AEEERN Cc1cc(CN[C@H](C)C#N)cs1 307605107 346142420 /nfs/dbraw/zinc/14/24/20/346142420.db2.gz XSCFUBGDECCSLP-SSDOTTSWSA-N 0 0 180.276 2.058 10 30 AEEERN O=C1CCC=C1c1ccsc1 307607977 346143842 /nfs/dbraw/zinc/14/38/42/346143842.db2.gz DAFQOVLATQGDAG-UHFFFAOYSA-N 0 0 164.229 2.494 10 30 AEEERN O=C(C1=CCCCC1)C1=COCC1 307608147 346144141 /nfs/dbraw/zinc/14/41/41/346144141.db2.gz CRNOVQNEADGSQV-UHFFFAOYSA-N 0 0 178.231 2.360 10 30 AEEERN Cc1c(CC#N)ccc(F)c1[N+](=O)[O-] 307609651 346145204 /nfs/dbraw/zinc/14/52/04/346145204.db2.gz FPBYSFJLBHGUED-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CC(=O)/C=C/[C@]1(C)CCCS1 307612000 346146499 /nfs/dbraw/zinc/14/64/99/346146499.db2.gz KAGOPCANWBGJLX-DNQSNQRASA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)/C=C/[C@@]1(C)CCCS1 307612001 346146519 /nfs/dbraw/zinc/14/65/19/346146519.db2.gz KAGOPCANWBGJLX-OTQAPUNGSA-N 0 0 170.277 2.417 10 30 AEEERN N#C[C@]1(CCC2CC2)CCOC1 307612352 346146539 /nfs/dbraw/zinc/14/65/39/346146539.db2.gz KRRGILVANCCJFL-JTQLQIEISA-N 0 0 165.236 2.107 10 30 AEEERN C=C(C(F)(F)F)[C@]1(O)CC[C@H]2C[C@H]21 307613905 346147268 /nfs/dbraw/zinc/14/72/68/346147268.db2.gz KFYYOAFPLACISL-XLPZGREQSA-N 0 0 192.180 2.266 10 30 AEEERN C=C(C(F)(F)F)[C@]1(O)CC[C@@H]2C[C@@H]21 307613904 346147560 /nfs/dbraw/zinc/14/75/60/346147560.db2.gz KFYYOAFPLACISL-GJMOJQLCSA-N 0 0 192.180 2.266 10 30 AEEERN CC(C)[N@H+](C)Cc1cc(C#N)cs1 307619322 346151430 /nfs/dbraw/zinc/15/14/30/346151430.db2.gz XCVBCDCQJXHCSE-UHFFFAOYSA-N 0 0 194.303 2.460 10 30 AEEERN N#Cc1ccc(C(F)(F)F)c(F)n1 307620873 346152534 /nfs/dbraw/zinc/15/25/34/346152534.db2.gz ISALKWHUEAIWDD-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN O=C1CCCC2=C1SC1=CCCN12 307625357 346154825 /nfs/dbraw/zinc/15/48/25/346154825.db2.gz SPFKQIRDSNPBDM-UHFFFAOYSA-N 0 0 193.271 2.245 10 30 AEEERN [N-]=[N+]=Nc1nnc(C(F)F)s1 307625906 346155235 /nfs/dbraw/zinc/15/52/35/346155235.db2.gz PQHGQNMYHIDEJP-UHFFFAOYSA-N 0 0 177.139 2.418 10 30 AEEERN CCc1nn(C)c(CS)c1Cl 307626077 346155264 /nfs/dbraw/zinc/15/52/64/346155264.db2.gz QACBTPKFLMJXNQ-UHFFFAOYSA-N 0 0 190.699 2.066 10 30 AEEERN C=CCSC1=CC(=O)CC1 307627444 346155708 /nfs/dbraw/zinc/15/57/08/346155708.db2.gz JAWXAZYGXJRRHP-UHFFFAOYSA-N 0 0 154.234 2.152 10 30 AEEERN C=C[C@H](C)Sc1ncc[nH]1 307628725 346156915 /nfs/dbraw/zinc/15/69/15/346156915.db2.gz WXGUVKVWGNXYTK-LURJTMIESA-N 0 0 154.238 2.076 10 30 AEEERN CC(C)[C@]1(C#N)CCCCC1=O 307629102 346157027 /nfs/dbraw/zinc/15/70/27/346157027.db2.gz XEUFCDFFTVUKKH-SNVBAGLBSA-N 0 0 165.236 2.295 10 30 AEEERN C=C[C@@H](C)Sc1ncc[nH]1 307629041 346157129 /nfs/dbraw/zinc/15/71/29/346157129.db2.gz WXGUVKVWGNXYTK-ZCFIWIBFSA-N 0 0 154.238 2.076 10 30 AEEERN CO/N=C(/C)c1ccc(O)cc1C 307628637 346157145 /nfs/dbraw/zinc/15/71/45/346157145.db2.gz WMNHMKYJDSKVCS-FLIBITNWSA-N 0 0 179.219 2.071 10 30 AEEERN CC(C)[C@@]1(C#N)CCCCC1=O 307629101 346157146 /nfs/dbraw/zinc/15/71/46/346157146.db2.gz XEUFCDFFTVUKKH-JTQLQIEISA-N 0 0 165.236 2.295 10 30 AEEERN Cc1cc(C#N)cc(NC2CC2)c1 307629147 346157472 /nfs/dbraw/zinc/15/74/72/346157472.db2.gz VBCSVZQBRQBDOJ-UHFFFAOYSA-N 0 0 172.231 2.441 10 30 AEEERN C[C@@]1(C=O)CCC2(CCCCC2)O1 307632118 346158847 /nfs/dbraw/zinc/15/88/47/346158847.db2.gz PPHYOMGYWDSTHG-JTQLQIEISA-N 0 0 182.263 2.457 10 30 AEEERN C=CCCSC1CCOCC1 307633191 346159259 /nfs/dbraw/zinc/15/92/59/346159259.db2.gz NQLOQNHMHGRKEX-UHFFFAOYSA-N 0 0 172.293 2.475 10 30 AEEERN CC(C)=CC(=O)C(C)(C)F 307633074 346159411 /nfs/dbraw/zinc/15/94/11/346159411.db2.gz NEKWTXFMQOSXTN-UHFFFAOYSA-N 0 0 144.189 2.270 10 30 AEEERN C[C@]1(C=O)CCC2(CCCCC2)O1 307632121 346159423 /nfs/dbraw/zinc/15/94/23/346159423.db2.gz PPHYOMGYWDSTHG-SNVBAGLBSA-N 0 0 182.263 2.457 10 30 AEEERN C[C@@H]1CCC[C@@]1(C#N)c1ncns1 307633593 346159675 /nfs/dbraw/zinc/15/96/75/346159675.db2.gz RMCXCFVMPAGQGC-APPZFPTMSA-N 0 0 193.275 2.119 10 30 AEEERN C[C@H]1CCC[C@]1(C#N)c1ncns1 307633595 346159862 /nfs/dbraw/zinc/15/98/62/346159862.db2.gz RMCXCFVMPAGQGC-IONNQARKSA-N 0 0 193.275 2.119 10 30 AEEERN C[C@H]1CCC[C@@]1(C#N)c1ncns1 307633594 346159910 /nfs/dbraw/zinc/15/99/10/346159910.db2.gz RMCXCFVMPAGQGC-CBAPKCEASA-N 0 0 193.275 2.119 10 30 AEEERN C[C@@H]1CCC[C@]1(C#N)c1ncns1 307633596 346160094 /nfs/dbraw/zinc/16/00/94/346160094.db2.gz RMCXCFVMPAGQGC-VXNVDRBHSA-N 0 0 193.275 2.119 10 30 AEEERN Clc1cnccc1NC1=NCCC1 307634598 346160258 /nfs/dbraw/zinc/16/02/58/346160258.db2.gz TYSIMSFBBALBPR-UHFFFAOYSA-N 0 0 195.653 2.148 10 30 AEEERN CCc1cc(F)cc(F)c1C#N 307644022 346164825 /nfs/dbraw/zinc/16/48/25/346164825.db2.gz RMQZWTJZKFGLRJ-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN C=C(c1cnc(N)s1)C(F)(F)F 307644909 346165241 /nfs/dbraw/zinc/16/52/41/346165241.db2.gz WEPNRAOKIZDYEQ-UHFFFAOYSA-N 0 0 194.181 2.301 10 30 AEEERN C=CC(=O)CC1(C)CCC1 307645542 346165313 /nfs/dbraw/zinc/16/53/13/346165313.db2.gz ZCPQTZDAGPNVOS-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C(C)CNC(=O)Nc1cccs1 307651510 346166890 /nfs/dbraw/zinc/16/68/90/346166890.db2.gz RTTPDEQNCOGBEZ-UHFFFAOYSA-N 0 0 196.275 2.446 10 30 AEEERN C=C(C)C(=O)c1ccccc1C#N 307653494 346167337 /nfs/dbraw/zinc/16/73/37/346167337.db2.gz UNRUMZIGJGDEOB-UHFFFAOYSA-N 0 0 171.199 2.317 10 30 AEEERN CC(C)Sc1ccncc1C#N 307656598 346168257 /nfs/dbraw/zinc/16/82/57/346168257.db2.gz YUFQBWFGFVQMBS-UHFFFAOYSA-N 0 0 178.260 2.454 10 30 AEEERN Cc1ccc(CC#N)c([N+](=O)[O-])c1F 307660115 346169750 /nfs/dbraw/zinc/16/97/50/346169750.db2.gz UCWRADXYHMYEMF-UHFFFAOYSA-N 0 0 194.165 2.108 10 30 AEEERN CCC(C)N=Nc1cccc(F)n1 307661549 346170223 /nfs/dbraw/zinc/17/02/23/346170223.db2.gz GRVDWJWNQIRXJF-KPKJPENVSA-N 0 0 181.214 2.419 10 30 AEEERN CO/N=C(/C)c1c(O)cccc1Cl 307661578 346170273 /nfs/dbraw/zinc/17/02/73/346170273.db2.gz GTSRJRWYLRTOOS-WDZFZDKYSA-N 0 0 199.637 2.416 10 30 AEEERN CC1(C)C[C@H]1Nc1ccncc1C#N 307662706 346170818 /nfs/dbraw/zinc/17/08/18/346170818.db2.gz HWGDMXCXYIVRLF-SNVBAGLBSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCCC1(F)F 307667103 346172647 /nfs/dbraw/zinc/17/26/47/346172647.db2.gz OHVJHFMKJXWSMC-HTQZYQBOSA-N 0 0 188.221 2.066 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCCC1(F)F 307667104 346172656 /nfs/dbraw/zinc/17/26/56/346172656.db2.gz OHVJHFMKJXWSMC-JGVFFNPUSA-N 0 0 188.221 2.066 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCCC1(F)F 307667106 346172675 /nfs/dbraw/zinc/17/26/75/346172675.db2.gz OHVJHFMKJXWSMC-YUMQZZPRSA-N 0 0 188.221 2.066 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCCC1(F)F 307667105 346172931 /nfs/dbraw/zinc/17/29/31/346172931.db2.gz OHVJHFMKJXWSMC-SFYZADRCSA-N 0 0 188.221 2.066 10 30 AEEERN C#CCCNc1ccc(C(F)F)cn1 307672987 346175603 /nfs/dbraw/zinc/17/56/03/346175603.db2.gz ZSCVGXANMNXKNL-UHFFFAOYSA-N 0 0 196.200 2.454 10 30 AEEERN CC1(C)CC[C@]12CC(=O)C=CO2 307674462 346176357 /nfs/dbraw/zinc/17/63/57/346176357.db2.gz CPNCYEOACDSBOI-JTQLQIEISA-N 0 0 166.220 2.048 10 30 AEEERN CC1(C)CC[C@@]12CC(=O)C=CO2 307674463 346176482 /nfs/dbraw/zinc/17/64/82/346176482.db2.gz CPNCYEOACDSBOI-SNVBAGLBSA-N 0 0 166.220 2.048 10 30 AEEERN C=CC(=O)c1cc(C)cc(C)n1 307681712 346180355 /nfs/dbraw/zinc/18/03/55/346180355.db2.gz YKYFNUMYSUHINI-UHFFFAOYSA-N 0 0 161.204 2.067 10 30 AEEERN C#CCCNc1csc(Cl)n1 307682803 346181037 /nfs/dbraw/zinc/18/10/37/346181037.db2.gz SDVIDUJHISCNNG-UHFFFAOYSA-N 0 0 186.667 2.232 10 30 AEEERN Cc1ccc(N[C@H]2C[C@@H]2C)nc1C#N 307683665 346181466 /nfs/dbraw/zinc/18/14/66/346181466.db2.gz UUEBYJMTJNIXQM-IUCAKERBSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1ccc(N[C@@H]2C[C@@H]2C)nc1C#N 307683664 346181553 /nfs/dbraw/zinc/18/15/53/346181553.db2.gz UUEBYJMTJNIXQM-DTWKUNHWSA-N 0 0 187.246 2.082 10 30 AEEERN C[C@@]1(c2ccsc2)CC[C@H](C=O)O1 307687160 346183315 /nfs/dbraw/zinc/18/33/15/346183315.db2.gz DNLHURCLAXQAPJ-ZJUUUORDSA-N 0 0 196.271 2.341 10 30 AEEERN C[C@]1(c2ccsc2)CC[C@H](C=O)O1 307687156 346183409 /nfs/dbraw/zinc/18/34/09/346183409.db2.gz DNLHURCLAXQAPJ-NXEZZACHSA-N 0 0 196.271 2.341 10 30 AEEERN C=C(CC)C[C@@]1(C#N)CCCCN1 307686914 346183421 /nfs/dbraw/zinc/18/34/21/346183421.db2.gz DESGYGSHIVSFIJ-LLVKDONJSA-N 0 0 178.279 2.379 10 30 AEEERN O=C(C1=COCC1)c1ccccc1F 307687339 346183491 /nfs/dbraw/zinc/18/34/91/346183491.db2.gz DRNIAOYQUWAMFF-UHFFFAOYSA-N 0 0 192.189 2.313 10 30 AEEERN C[C@]1(c2ccsc2)CC[C@@H](C=O)O1 307687159 346183588 /nfs/dbraw/zinc/18/35/88/346183588.db2.gz DNLHURCLAXQAPJ-VHSXEESVSA-N 0 0 196.271 2.341 10 30 AEEERN Cc1[nH]c(=S)c(Cl)cc1C#N 307686800 346183635 /nfs/dbraw/zinc/18/36/35/346183635.db2.gz BWGYGZKFPPPYDS-UHFFFAOYSA-N 0 0 184.651 2.204 10 30 AEEERN C[C@@]1(c2ccsc2)CC[C@@H](C=O)O1 307687157 346183640 /nfs/dbraw/zinc/18/36/40/346183640.db2.gz DNLHURCLAXQAPJ-UWVGGRQHSA-N 0 0 196.271 2.341 10 30 AEEERN C#CCCC(=O)c1cnc(C)cc1C 307689630 346185196 /nfs/dbraw/zinc/18/51/96/346185196.db2.gz KMLGVPVURXDPPW-UHFFFAOYSA-N 0 0 187.242 2.295 10 30 AEEERN CC(C)(C)CC[C@](C)(N)C#N 307693915 346187644 /nfs/dbraw/zinc/18/76/44/346187644.db2.gz YLWQHWLRRHKGRF-VIFPVBQESA-N 0 0 154.257 2.054 10 30 AEEERN CC(C)(C)CC[C@@](C)(N)C#N 307693914 346187799 /nfs/dbraw/zinc/18/77/99/346187799.db2.gz YLWQHWLRRHKGRF-SECBINFHSA-N 0 0 154.257 2.054 10 30 AEEERN C[C@@H](C#N)NC(C)(C)C(C)(C)C 307694288 346188092 /nfs/dbraw/zinc/18/80/92/346188092.db2.gz WAUMRZNPJNURJB-QMMMGPOBSA-N 0 0 168.284 2.313 10 30 AEEERN C[C@H](C#N)NC(C)(C)C(C)(C)C 307694287 346188186 /nfs/dbraw/zinc/18/81/86/346188186.db2.gz WAUMRZNPJNURJB-MRVPVSSYSA-N 0 0 168.284 2.313 10 30 AEEERN Cc1ccc(Cl)c(NCCC#N)n1 307695232 346188830 /nfs/dbraw/zinc/18/88/30/346188830.db2.gz ZYBQHHBJHFQBAZ-UHFFFAOYSA-N 0 0 195.653 2.369 10 30 AEEERN N#CC1(CCc2ccncc2)CC1 307698205 346190809 /nfs/dbraw/zinc/19/08/09/346190809.db2.gz HSNHTBVUALQIBA-UHFFFAOYSA-N 0 0 172.231 2.318 10 30 AEEERN Fc1cc(N=NCC2CC2)ccn1 307701563 346192293 /nfs/dbraw/zinc/19/22/93/346192293.db2.gz NOPFCEZNTFNNSM-WUXMJOGZSA-N 0 0 179.198 2.028 10 30 AEEERN CC1(C)CCC[C@]12CC[C@@H](C=O)O2 307703093 346193049 /nfs/dbraw/zinc/19/30/49/346193049.db2.gz QKXFCVMKNMEVKM-ONGXEEELSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CCC[C@@]12CC[C@H](C=O)O2 307703092 346192827 /nfs/dbraw/zinc/19/28/27/346192827.db2.gz QKXFCVMKNMEVKM-MWLCHTKSSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CCC[C@@]12CC[C@@H](C=O)O2 307703090 346192977 /nfs/dbraw/zinc/19/29/77/346192977.db2.gz QKXFCVMKNMEVKM-GXSJLCMTSA-N 0 0 182.263 2.313 10 30 AEEERN CC1(C)CCC[C@]12CC[C@H](C=O)O2 307703091 346193036 /nfs/dbraw/zinc/19/30/36/346193036.db2.gz QKXFCVMKNMEVKM-KOLCDFICSA-N 0 0 182.263 2.313 10 30 AEEERN CC[C@](C)(C#N)C[C@@H]1CCOC1 307703979 346193453 /nfs/dbraw/zinc/19/34/53/346193453.db2.gz SIWPYJFHXAFYBB-UWVGGRQHSA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@](C)(C#N)C[C@H]1CCOC1 307703981 346193556 /nfs/dbraw/zinc/19/35/56/346193556.db2.gz SIWPYJFHXAFYBB-ZJUUUORDSA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@@](C)(C#N)C[C@H]1CCOC1 307703978 346193632 /nfs/dbraw/zinc/19/36/32/346193632.db2.gz SIWPYJFHXAFYBB-NXEZZACHSA-N 0 0 167.252 2.353 10 30 AEEERN CC[C@@](C)(C#N)C[C@@H]1CCOC1 307703980 346193773 /nfs/dbraw/zinc/19/37/73/346193773.db2.gz SIWPYJFHXAFYBB-VHSXEESVSA-N 0 0 167.252 2.353 10 30 AEEERN C#CC[C@@H](C)Nc1ncc(C)s1 307704913 346193992 /nfs/dbraw/zinc/19/39/92/346193992.db2.gz XIOWTJIUKUJGMD-SSDOTTSWSA-N 0 0 180.276 2.275 10 30 AEEERN C#CC[C@H](C)Nc1ncc(C)s1 307704914 346194290 /nfs/dbraw/zinc/19/42/90/346194290.db2.gz XIOWTJIUKUJGMD-ZETCQYMHSA-N 0 0 180.276 2.275 10 30 AEEERN C[C@@H]1C[C@@H](NCC#N)CC(C)(C)C1 307707549 346195177 /nfs/dbraw/zinc/19/51/77/346195177.db2.gz ZNBGNJGDBHBJLH-NXEZZACHSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1C[C@@H](NCC#N)CC(C)(C)C1 307707551 346195205 /nfs/dbraw/zinc/19/52/05/346195205.db2.gz ZNBGNJGDBHBJLH-VHSXEESVSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@H]1C[C@H](NCC#N)CC(C)(C)C1 307707550 346195211 /nfs/dbraw/zinc/19/52/11/346195211.db2.gz ZNBGNJGDBHBJLH-UWVGGRQHSA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H]1C[C@H](NCC#N)CC(C)(C)C1 307707552 346195301 /nfs/dbraw/zinc/19/53/01/346195301.db2.gz ZNBGNJGDBHBJLH-ZJUUUORDSA-N 0 0 180.295 2.314 10 30 AEEERN C#CCNc1ccc(CC)c(F)c1 307726581 346205295 /nfs/dbraw/zinc/20/52/95/346205295.db2.gz CGLVFEYTLNUNLN-UHFFFAOYSA-N 0 0 177.222 2.433 10 30 AEEERN C[C@H]1CC[C@H]1Nc1ccc(C#N)cn1 307727066 346205688 /nfs/dbraw/zinc/20/56/88/346205688.db2.gz CWQCORPAYYUURO-WCBMZHEXSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H]1CC[C@@H]1Nc1ccc(C#N)cn1 307727069 346205745 /nfs/dbraw/zinc/20/57/45/346205745.db2.gz CWQCORPAYYUURO-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CC#CCSCc1nccs1 307728020 346206042 /nfs/dbraw/zinc/20/60/42/346206042.db2.gz FRBRRYOLEWJCIA-UHFFFAOYSA-N 0 0 183.301 2.400 10 30 AEEERN CC#CCC[C@]1(O)CCC[C@H]2C[C@H]21 307728721 346206792 /nfs/dbraw/zinc/20/67/92/346206792.db2.gz FKSVBDIDLVLCEV-TUAOUCFPSA-N 0 0 178.275 2.341 10 30 AEEERN CC#CCC[C@]1(O)CCC[C@@H]2C[C@@H]21 307728727 346206807 /nfs/dbraw/zinc/20/68/07/346206807.db2.gz FKSVBDIDLVLCEV-WOPDTQHZSA-N 0 0 178.275 2.341 10 30 AEEERN C=CCC[C@@]1(C#N)CCCC1=O 307731452 346208178 /nfs/dbraw/zinc/20/81/78/346208178.db2.gz MWENAXAVCQLKEZ-JTQLQIEISA-N 0 0 163.220 2.216 10 30 AEEERN C=CCC[C@]1(C#N)CCCC1=O 307731454 346208244 /nfs/dbraw/zinc/20/82/44/346208244.db2.gz MWENAXAVCQLKEZ-SNVBAGLBSA-N 0 0 163.220 2.216 10 30 AEEERN C#CCC[C@@H](O)c1cc(C)cc(C)n1 307734896 346210377 /nfs/dbraw/zinc/21/03/77/346210377.db2.gz PREUXQBQMUWYSI-GFCCVEGCSA-N 0 0 189.258 2.145 10 30 AEEERN C#CCC[C@H](O)c1cc(C)cc(C)n1 307734897 346210581 /nfs/dbraw/zinc/21/05/81/346210581.db2.gz PREUXQBQMUWYSI-LBPRGKRZSA-N 0 0 189.258 2.145 10 30 AEEERN CCCCNc1ccncc1C#N 307741653 346213212 /nfs/dbraw/zinc/21/32/12/346213212.db2.gz JHQKSXGRCFLONZ-UHFFFAOYSA-N 0 0 175.235 2.165 10 30 AEEERN CC(C)[C@@H](C)[C@@H]1CC(=O)C=CO1 307742557 346213897 /nfs/dbraw/zinc/21/38/97/346213897.db2.gz KRYLNFYSLAHYJB-SCZZXKLOSA-N 0 0 168.236 2.150 10 30 AEEERN CC(C)[C@@H](C)[C@H]1CC(=O)C=CO1 307742556 346213945 /nfs/dbraw/zinc/21/39/45/346213945.db2.gz KRYLNFYSLAHYJB-PSASIEDQSA-N 0 0 168.236 2.150 10 30 AEEERN CC(C)[C@H](C)[C@H]1CC(=O)C=CO1 307742558 346214036 /nfs/dbraw/zinc/21/40/36/346214036.db2.gz KRYLNFYSLAHYJB-WCBMZHEXSA-N 0 0 168.236 2.150 10 30 AEEERN CC(C)[C@H](C)[C@@H]1CC(=O)C=CO1 307742559 346214105 /nfs/dbraw/zinc/21/41/05/346214105.db2.gz KRYLNFYSLAHYJB-WPRPVWTQSA-N 0 0 168.236 2.150 10 30 AEEERN C[C@H]1CC[C@H](C)C1NC(C)(C)C#N 307743806 346214565 /nfs/dbraw/zinc/21/45/65/346214565.db2.gz NAPBISPQCNIEBF-IUCAKERBSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@@H]1CC[C@@H](C)C1NC(C)(C)C#N 307743808 346214615 /nfs/dbraw/zinc/21/46/15/346214615.db2.gz NAPBISPQCNIEBF-RKDXNWHRSA-N 0 0 180.295 2.313 10 30 AEEERN C[C@H]1CC[C@@H](C)[C@@H]1NC(C)(C)C#N 307743807 346214624 /nfs/dbraw/zinc/21/46/24/346214624.db2.gz NAPBISPQCNIEBF-MYJAWHEDSA-N 0 0 180.295 2.313 10 30 AEEERN CC1(NCC#N)CCCCCC1 307746578 346216294 /nfs/dbraw/zinc/21/62/94/346216294.db2.gz VWFWJZUMMNSBID-UHFFFAOYSA-N 0 0 166.268 2.212 10 30 AEEERN N#C[C@]1(C2CCC2)CCCC1=O 307746394 346216581 /nfs/dbraw/zinc/21/65/81/346216581.db2.gz VFDODZBURGPDMZ-JTQLQIEISA-N 0 0 163.220 2.049 10 30 AEEERN N#C[C@@]1(C2CCC2)CCCC1=O 307746395 346216673 /nfs/dbraw/zinc/21/66/73/346216673.db2.gz VFDODZBURGPDMZ-SNVBAGLBSA-N 0 0 163.220 2.049 10 30 AEEERN C[C@H](C#N)Sc1ccc(Cl)nn1 307748246 346218260 /nfs/dbraw/zinc/21/82/60/346218260.db2.gz BBTQNLFSGOHJCI-RXMQYKEDSA-N 0 0 199.666 2.134 10 30 AEEERN CCCSCCC[C@H]1CO1 307748528 346218334 /nfs/dbraw/zinc/21/83/34/346218334.db2.gz CBFNAZKPACGXTR-QMMMGPOBSA-N 0 0 160.282 2.309 10 30 AEEERN C[C@@H](C#N)Sc1ccc(Cl)nn1 307748247 346218341 /nfs/dbraw/zinc/21/83/41/346218341.db2.gz BBTQNLFSGOHJCI-YFKPBYRVSA-N 0 0 199.666 2.134 10 30 AEEERN CCCSCCC[C@@H]1CO1 307748527 346218438 /nfs/dbraw/zinc/21/84/38/346218438.db2.gz CBFNAZKPACGXTR-MRVPVSSYSA-N 0 0 160.282 2.309 10 30 AEEERN CC#CCSCc1ccccn1 307749093 346219059 /nfs/dbraw/zinc/21/90/59/346219059.db2.gz FHJWNOYMANSGFS-UHFFFAOYSA-N 0 0 177.272 2.338 10 30 AEEERN C[C@@H]1CCCC[C@]12CC[C@H](C=O)O2 307750462 346219409 /nfs/dbraw/zinc/21/94/09/346219409.db2.gz KDYYOZGEDYPXJT-MXWKQRLJSA-N 0 0 182.263 2.313 10 30 AEEERN C[C@@H]1CCCC[C@@]12CC[C@H](C=O)O2 307750461 346219530 /nfs/dbraw/zinc/21/95/30/346219530.db2.gz KDYYOZGEDYPXJT-GMTAPVOTSA-N 0 0 182.263 2.313 10 30 AEEERN CCC(CC)[S@@](=O)CCCC#N 307971435 346244756 /nfs/dbraw/zinc/24/47/56/346244756.db2.gz HMGVEIAJWRRLNJ-LBPRGKRZSA-N 0 0 187.308 2.227 10 30 AEEERN C[C@@H]1CCCC[C@]12CC[C@@H](C=O)O2 307750464 346219707 /nfs/dbraw/zinc/21/97/07/346219707.db2.gz KDYYOZGEDYPXJT-VWYCJHECSA-N 0 0 182.263 2.313 10 30 AEEERN C=C(C)C(=O)c1cccc(F)c1C#N 307751711 346220925 /nfs/dbraw/zinc/22/09/25/346220925.db2.gz OZZHDYFQSQVKRX-UHFFFAOYSA-N 0 0 189.189 2.456 10 30 AEEERN C/C=C/C(=O)c1cnc(C)c(C)c1 307752325 346221552 /nfs/dbraw/zinc/22/15/52/346221552.db2.gz REAJZRILIBBDFO-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN C=CC(=O)Cc1csc(C)c1 307753460 346222323 /nfs/dbraw/zinc/22/23/23/346222323.db2.gz VVJHJBHNXKIDRB-UHFFFAOYSA-N 0 0 166.245 2.354 10 30 AEEERN N#C[C@]1(CCCF)CCCCC1=O 307753760 346222840 /nfs/dbraw/zinc/22/28/40/346222840.db2.gz XANOKZTXFPYZKB-SNVBAGLBSA-N 0 0 183.226 2.389 10 30 AEEERN CC[C@@](C)(C#N)c1ncccc1OC 307754047 346222858 /nfs/dbraw/zinc/22/28/58/346222858.db2.gz XZOAHKLJPOBGHR-NSHDSACASA-N 0 0 190.246 2.281 10 30 AEEERN CC[C@](C)(C#N)c1ncccc1OC 307754046 346223066 /nfs/dbraw/zinc/22/30/66/346223066.db2.gz XZOAHKLJPOBGHR-LLVKDONJSA-N 0 0 190.246 2.281 10 30 AEEERN N#C[C@@]1(CCCF)CCCCC1=O 307753759 346223141 /nfs/dbraw/zinc/22/31/41/346223141.db2.gz XANOKZTXFPYZKB-JTQLQIEISA-N 0 0 183.226 2.389 10 30 AEEERN CC(=O)/C=C1/CCC[C@H]2C[C@@H]12 307754520 346223530 /nfs/dbraw/zinc/22/35/30/346223530.db2.gz ZQPJVCSQBXPSRT-VAJAEUGUSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)/C=C1/CCC[C@@H]2C[C@H]12 307754519 346223667 /nfs/dbraw/zinc/22/36/67/346223667.db2.gz ZQPJVCSQBXPSRT-MMIMJOASSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCSCc1cc(C)on1 307754720 346223852 /nfs/dbraw/zinc/22/38/52/346223852.db2.gz BEVNXUXHBLHUNS-UHFFFAOYSA-N 0 0 169.249 2.402 10 30 AEEERN C=CCSCc1cc(C)no1 307755585 346224300 /nfs/dbraw/zinc/22/43/00/346224300.db2.gz FBFPABIHGXMHLE-UHFFFAOYSA-N 0 0 169.249 2.402 10 30 AEEERN N#C[C@@]1(CC(F)(F)F)CCCC1=O 307758056 346225130 /nfs/dbraw/zinc/22/51/30/346225130.db2.gz NJJWPUAFMSOHGC-ZETCQYMHSA-N 0 0 191.152 2.202 10 30 AEEERN Cc1nc(C2=CCCC2=O)cs1 307757640 346225207 /nfs/dbraw/zinc/22/52/07/346225207.db2.gz LXJBNEWQMOXSSY-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN N#C[C@]1(CC(F)(F)F)CCCC1=O 307758055 346225385 /nfs/dbraw/zinc/22/53/85/346225385.db2.gz NJJWPUAFMSOHGC-SSDOTTSWSA-N 0 0 191.152 2.202 10 30 AEEERN N#Cc1snc(Cl)c1NC1CC1 307758818 346225955 /nfs/dbraw/zinc/22/59/55/346225955.db2.gz PWLBTRATNDIOPS-UHFFFAOYSA-N 0 0 199.666 2.242 10 30 AEEERN CC[C@@](C)(C#N)c1ncnc(C)c1F 307759577 346226266 /nfs/dbraw/zinc/22/62/66/346226266.db2.gz SEYWJJWQVMSSDH-JTQLQIEISA-N 0 0 193.225 2.115 10 30 AEEERN CC[C@](C)(C#N)c1ncnc(C)c1F 307759578 346226724 /nfs/dbraw/zinc/22/67/24/346226724.db2.gz SEYWJJWQVMSSDH-SNVBAGLBSA-N 0 0 193.225 2.115 10 30 AEEERN CC#C[C@@H](O)c1cc(C)ccc1C 307760427 346226903 /nfs/dbraw/zinc/22/69/03/346226903.db2.gz VUBSKUJCTFXFKJ-GFCCVEGCSA-N 0 0 174.243 2.360 10 30 AEEERN CC#C[C@H](O)c1cc(C)ccc1C 307760428 346227169 /nfs/dbraw/zinc/22/71/69/346227169.db2.gz VUBSKUJCTFXFKJ-LBPRGKRZSA-N 0 0 174.243 2.360 10 30 AEEERN CC(=O)/C=C1/CCS[C@@H]1C 307818132 346229084 /nfs/dbraw/zinc/22/90/84/346229084.db2.gz VRUKCVTUHAOMKN-BESBCXERSA-N 0 0 156.250 2.027 10 30 AEEERN CC#CCSC/C=C\C 307807896 346229120 /nfs/dbraw/zinc/22/91/20/346229120.db2.gz IDMXXQDWBCBOBM-HYXAFXHYSA-N 0 0 140.251 2.319 10 30 AEEERN CC(CC1CCCC1)=NO 307814456 346229219 /nfs/dbraw/zinc/22/92/19/346229219.db2.gz SENQARBEVHDHBS-UHFFFAOYSA-N 0 0 141.214 2.417 10 30 AEEERN CC(=O)/C=C1/CCS[C@H]1C 307818134 346229291 /nfs/dbraw/zinc/22/92/91/346229291.db2.gz VRUKCVTUHAOMKN-BJMRUTCWSA-N 0 0 156.250 2.027 10 30 AEEERN C=CCSCCOC1CCC1 307854606 346230569 /nfs/dbraw/zinc/23/05/69/346230569.db2.gz CXPJOULZVMCFDP-UHFFFAOYSA-N 0 0 172.293 2.475 10 30 AEEERN CC#CCCSCCOCC 307857670 346230860 /nfs/dbraw/zinc/23/08/60/346230860.db2.gz DDQKFVLWZFOQER-UHFFFAOYSA-N 0 0 172.293 2.170 10 30 AEEERN CCC(Cc1ccccc1)=NO 307865454 346231311 /nfs/dbraw/zinc/23/13/11/346231311.db2.gz UBQQQMMMFFWYGN-UHFFFAOYSA-N 0 0 163.220 2.469 10 30 AEEERN C=C(CC)CSCC(C)(C)O 307861829 346231385 /nfs/dbraw/zinc/23/13/85/346231385.db2.gz HLZBQMNNDYISLK-UHFFFAOYSA-N 0 0 174.309 2.457 10 30 AEEERN C=C(C)[C@@H](CO)SCC1CC1 307872924 346231397 /nfs/dbraw/zinc/23/13/97/346231397.db2.gz MLAGFBXPQOCKOT-SECBINFHSA-N 0 0 172.293 2.067 10 30 AEEERN C=C(C)[C@H](CO)SCC1CC1 307872928 346231450 /nfs/dbraw/zinc/23/14/50/346231450.db2.gz MLAGFBXPQOCKOT-VIFPVBQESA-N 0 0 172.293 2.067 10 30 AEEERN C=CCCCSCC(C)(C)O 307861126 346231545 /nfs/dbraw/zinc/23/15/45/346231545.db2.gz HCIFFRMCBUONTR-UHFFFAOYSA-N 0 0 174.309 2.457 10 30 AEEERN CC(=O)[C@@](C)(C#N)C/C=C\Cl 307879998 346231946 /nfs/dbraw/zinc/23/19/46/346231946.db2.gz QYFGTDIAIPHDAF-QIUOEGRZSA-N 0 0 171.627 2.248 10 30 AEEERN CC[C@@H]1CC[C@H](C)CC1=NN 307874932 346232048 /nfs/dbraw/zinc/23/20/48/346232048.db2.gz NFCFSCAFSLKVQY-JGVFFNPUSA-N 0 0 154.257 2.147 10 30 AEEERN CC[C@H]1CC[C@H](C)CC1=NN 307874934 346232077 /nfs/dbraw/zinc/23/20/77/346232077.db2.gz NFCFSCAFSLKVQY-YUMQZZPRSA-N 0 0 154.257 2.147 10 30 AEEERN CC[C@H]1CC[C@@H](C)CC1=NN 307874933 346232132 /nfs/dbraw/zinc/23/21/32/346232132.db2.gz NFCFSCAFSLKVQY-SFYZADRCSA-N 0 0 154.257 2.147 10 30 AEEERN CC(=O)[C@](C)(C#N)C/C=C\Cl 307879997 346232148 /nfs/dbraw/zinc/23/21/48/346232148.db2.gz QYFGTDIAIPHDAF-NHLYECAPSA-N 0 0 171.627 2.248 10 30 AEEERN CC[C@@H]1CC[C@@H](C)CC1=NN 307874931 346232152 /nfs/dbraw/zinc/23/21/52/346232152.db2.gz NFCFSCAFSLKVQY-HTQZYQBOSA-N 0 0 154.257 2.147 10 30 AEEERN C=CCCSC[C@H]1CCOC1 307893837 346233009 /nfs/dbraw/zinc/23/30/09/346233009.db2.gz GZUCLEPWLRVOLP-VIFPVBQESA-N 0 0 172.293 2.332 10 30 AEEERN C=CCCSC[C@@H]1CCOC1 307893831 346233310 /nfs/dbraw/zinc/23/33/10/346233310.db2.gz GZUCLEPWLRVOLP-SECBINFHSA-N 0 0 172.293 2.332 10 30 AEEERN CC(=O)/C(C)=C\c1cncs1 307894359 346233338 /nfs/dbraw/zinc/23/33/38/346233338.db2.gz JBLAQNOOGNIWOS-UTCJRWHESA-N 0 0 167.233 2.135 10 30 AEEERN CC=CC(=O)Cc1cccs1 307904900 346234356 /nfs/dbraw/zinc/23/43/56/346234356.db2.gz ZUQGGCDYWHEVEJ-RQOWECAXSA-N 0 0 166.245 2.436 10 30 AEEERN N#CC1(CSCCCF)CC1 307917652 346234876 /nfs/dbraw/zinc/23/48/76/346234876.db2.gz CJZQAYGIFBTIMG-UHFFFAOYSA-N 0 0 173.256 2.383 10 30 AEEERN CC(=O)/C=C\c1ncc(Cl)s1 307918323 346234909 /nfs/dbraw/zinc/23/49/09/346234909.db2.gz DNHKIVQBVKYGIQ-IHWYPQMZSA-N 0 0 187.651 2.399 10 30 AEEERN CON=C1CC[C@@H](C2CC2)C1 307917576 346234966 /nfs/dbraw/zinc/23/49/66/346234966.db2.gz CELLGQDDXZKUST-MRVPVSSYSA-N 0 0 153.225 2.199 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1CCSC1 307920411 346235387 /nfs/dbraw/zinc/23/53/87/346235387.db2.gz JQWWGNWGOVUNJW-PGBBXKAQSA-N 0 0 170.277 2.275 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1CCSC1 307920412 346235549 /nfs/dbraw/zinc/23/55/49/346235549.db2.gz JQWWGNWGOVUNJW-WILPJHFFSA-N 0 0 170.277 2.275 10 30 AEEERN C=CCCCn1c(C)csc1=O 307928360 346236101 /nfs/dbraw/zinc/23/61/01/346236101.db2.gz BLWREUFBVUQPSF-UHFFFAOYSA-N 0 0 183.276 2.184 10 30 AEEERN CC(=O)/C(C)=C\c1cnc(C)s1 307929619 346236537 /nfs/dbraw/zinc/23/65/37/346236537.db2.gz ATXQETCOKXNYHY-XQRVVYSFSA-N 0 0 181.260 2.444 10 30 AEEERN CNN=C(C)c1ccc(Cl)cc1 307942015 346238345 /nfs/dbraw/zinc/23/83/45/346238345.db2.gz ZGGYVAAPUUCUPE-UHFFFAOYSA-N 0 0 182.654 2.283 10 30 AEEERN C=CCCC[C@@H](C)N(C)CC#N 307944723 346238820 /nfs/dbraw/zinc/23/88/20/346238820.db2.gz HHCBDEAEJDEKQM-SNVBAGLBSA-N 0 0 166.268 2.187 10 30 AEEERN C[C@@H](CN(C)CC#N)C(C)(C)C 307943965 346238883 /nfs/dbraw/zinc/23/88/83/346238883.db2.gz GGFUDFOOEPSBQV-VIFPVBQESA-N 0 0 168.284 2.124 10 30 AEEERN C=CCCC[C@H](C)N(C)CC#N 307944722 346238922 /nfs/dbraw/zinc/23/89/22/346238922.db2.gz HHCBDEAEJDEKQM-JTQLQIEISA-N 0 0 166.268 2.187 10 30 AEEERN CCC#C[C@H](C)SC[C@H](C)CO 307944279 346239015 /nfs/dbraw/zinc/23/90/15/346239015.db2.gz GRXKVKKREXRBJT-ZJUUUORDSA-N 0 0 186.320 2.150 10 30 AEEERN CCC#C[C@H](C)SC[C@@H](C)CO 307944276 346239054 /nfs/dbraw/zinc/23/90/54/346239054.db2.gz GRXKVKKREXRBJT-UWVGGRQHSA-N 0 0 186.320 2.150 10 30 AEEERN CCC#C[C@@H](C)SC[C@H](C)CO 307944274 346239067 /nfs/dbraw/zinc/23/90/67/346239067.db2.gz GRXKVKKREXRBJT-NXEZZACHSA-N 0 0 186.320 2.150 10 30 AEEERN CCC#C[C@@H](C)SC[C@@H](C)CO 307944277 346239117 /nfs/dbraw/zinc/23/91/17/346239117.db2.gz GRXKVKKREXRBJT-VHSXEESVSA-N 0 0 186.320 2.150 10 30 AEEERN C[C@H](CN(C)CC#N)C(C)(C)C 307943964 346239118 /nfs/dbraw/zinc/23/91/18/346239118.db2.gz GGFUDFOOEPSBQV-SECBINFHSA-N 0 0 168.284 2.124 10 30 AEEERN CO[C@@H]1CCCC/C1=C/C(C)=O 307951770 346240732 /nfs/dbraw/zinc/24/07/32/346240732.db2.gz VJTBWMAJCSDAOR-UJICNMFASA-N 0 0 168.236 2.091 10 30 AEEERN C=C(C)CSCc1ncccn1 307956049 346240781 /nfs/dbraw/zinc/24/07/81/346240781.db2.gz FPLHREIAKYYYFR-UHFFFAOYSA-N 0 0 180.276 2.286 10 30 AEEERN CCN(C)N=C[C@@]1(C)CCCS1 307953587 346240789 /nfs/dbraw/zinc/24/07/89/346240789.db2.gz PUSPELWNSPGEBE-SECBINFHSA-N 0 0 186.324 2.210 10 30 AEEERN CCN(C)N=C[C@]1(C)CCCS1 307953588 346240868 /nfs/dbraw/zinc/24/08/68/346240868.db2.gz PUSPELWNSPGEBE-VIFPVBQESA-N 0 0 186.324 2.210 10 30 AEEERN COc1ccc(C)cc1C(C)=NO 307956455 346240875 /nfs/dbraw/zinc/24/08/75/346240875.db2.gz UAUXZLBYGWFHAR-UHFFFAOYSA-N 0 0 179.219 2.202 10 30 AEEERN C=CCCSCCn1cccn1 307958098 346241503 /nfs/dbraw/zinc/24/15/03/346241503.db2.gz HWSIKWVCVIFUJL-UHFFFAOYSA-N 0 0 182.292 2.192 10 30 AEEERN C=CCCN(C)Cc1cscn1 307967431 346243981 /nfs/dbraw/zinc/24/39/81/346243981.db2.gz DDQBPYGZBRAMQO-UHFFFAOYSA-N 0 0 182.292 2.151 10 30 AEEERN C=CCCSCc1ncccn1 307969739 346244417 /nfs/dbraw/zinc/24/44/17/346244417.db2.gz WDONGQRZWXZNEO-UHFFFAOYSA-N 0 0 180.276 2.286 10 30 AEEERN C=CCCC(=O)N[C@@H](C)CCC 307971153 346244821 /nfs/dbraw/zinc/24/48/21/346244821.db2.gz HDQNAABBFDVSTB-VIFPVBQESA-N 0 0 169.268 2.257 10 30 AEEERN CCC(CC)[S@](=O)CCCC#N 307971432 346244900 /nfs/dbraw/zinc/24/49/00/346244900.db2.gz HMGVEIAJWRRLNJ-GFCCVEGCSA-N 0 0 187.308 2.227 10 30 AEEERN C=CCCC(=O)NCCCCC 307971187 346244946 /nfs/dbraw/zinc/24/49/46/346244946.db2.gz HFBISZNAWODLBL-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN CCN(C)N=Cc1ccc(C)s1 307970411 346244980 /nfs/dbraw/zinc/24/49/80/346244980.db2.gz GSHCHJKOQZRUJG-UHFFFAOYSA-N 0 0 182.292 2.342 10 30 AEEERN C=CC[N@@H+](CCSCC)C1CC1 307972571 346245055 /nfs/dbraw/zinc/24/50/55/346245055.db2.gz IEEOJSSSVZSECV-UHFFFAOYSA-N 0 0 185.336 2.390 10 30 AEEERN C=CCCC(=O)N[C@H](C)CCC 307971151 346245084 /nfs/dbraw/zinc/24/50/84/346245084.db2.gz HDQNAABBFDVSTB-SECBINFHSA-N 0 0 169.268 2.257 10 30 AEEERN C/C=C\C[S@@](=O)CCCCC#N 308001751 346249291 /nfs/dbraw/zinc/24/92/91/346249291.db2.gz BGURMTGUUYCWCU-ZZKXABKFSA-N 0 0 185.292 2.005 10 30 AEEERN C/C=C\C[S@](=O)CCCCC#N 308001733 346249563 /nfs/dbraw/zinc/24/95/63/346249563.db2.gz BGURMTGUUYCWCU-DLGQBQFBSA-N 0 0 185.292 2.005 10 30 AEEERN C/C=C/C[S@@](=O)CCCCC#N 308001745 346249608 /nfs/dbraw/zinc/24/96/08/346249608.db2.gz BGURMTGUUYCWCU-QAVQXKDTSA-N 0 0 185.292 2.005 10 30 AEEERN C/C=C/C[S@](=O)CCCCC#N 308001738 346249690 /nfs/dbraw/zinc/24/96/90/346249690.db2.gz BGURMTGUUYCWCU-JDGPPOGSSA-N 0 0 185.292 2.005 10 30 AEEERN C=CCSCc1nccn1CC 308004151 346249693 /nfs/dbraw/zinc/24/96/93/346249693.db2.gz DJSBNIIHTBBHSB-UHFFFAOYSA-N 0 0 182.292 2.322 10 30 AEEERN CCN(C)N=Cc1sccc1C 308015268 346250519 /nfs/dbraw/zinc/25/05/19/346250519.db2.gz PHKMRWZCZDFPKQ-UHFFFAOYSA-N 0 0 182.292 2.342 10 30 AEEERN C=CCCSCC(=O)OC(C)C 308010723 346250826 /nfs/dbraw/zinc/25/08/26/346250826.db2.gz FWNCFYSQQVLFHU-UHFFFAOYSA-N 0 0 188.292 2.247 10 30 AEEERN CC(C)[C@H](C)NN=C1CCSC1 308059905 346252846 /nfs/dbraw/zinc/25/28/46/346252846.db2.gz VXUWEHARQAIXGW-QMMMGPOBSA-N 0 0 186.324 2.113 10 30 AEEERN CC(C)[C@@H](C)NN=C1CCSC1 308059904 346252876 /nfs/dbraw/zinc/25/28/76/346252876.db2.gz VXUWEHARQAIXGW-MRVPVSSYSA-N 0 0 186.324 2.113 10 30 AEEERN CCCN(CCCC#N)CC(F)F 308054356 346253062 /nfs/dbraw/zinc/25/30/62/346253062.db2.gz BBABIRPRXZKOPQ-UHFFFAOYSA-N 0 0 190.237 2.267 10 30 AEEERN C=CCCSCc1ccnn1C 308068636 346253320 /nfs/dbraw/zinc/25/33/20/346253320.db2.gz AGXPHRJNRUNDPN-UHFFFAOYSA-N 0 0 182.292 2.229 10 30 AEEERN CCON=C(C)c1scnc1C 308068441 346253585 /nfs/dbraw/zinc/25/35/85/346253585.db2.gz AAEQAGLAWXSQKC-UHFFFAOYSA-N 0 0 184.264 2.212 10 30 AEEERN C=C(C)CSCc1nc(C)no1 308073022 346253941 /nfs/dbraw/zinc/25/39/41/346253941.db2.gz CFVRUXJBQTTYRB-UHFFFAOYSA-N 0 0 184.264 2.187 10 30 AEEERN CC#CCSCC(=O)C(C)(C)C 308071378 346254145 /nfs/dbraw/zinc/25/41/45/346254145.db2.gz BNSNGGRXHJSMDP-UHFFFAOYSA-N 0 0 184.304 2.358 10 30 AEEERN CC[C@@H](CC(C)C)C(=O)N(C)CC#N 308084345 346254637 /nfs/dbraw/zinc/25/46/37/346254637.db2.gz CWBHHRZOAVUMJW-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN CC[C@H](CC(C)C)C(=O)N(C)CC#N 308084346 346254641 /nfs/dbraw/zinc/25/46/41/346254641.db2.gz CWBHHRZOAVUMJW-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN CC[C@H](CC(C)C)C(=O)N[C@H](C)C#N 308086344 346255184 /nfs/dbraw/zinc/25/51/84/346255184.db2.gz IMOJTTDRLHKVGC-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@H](CC(C)C)C(=O)N[C@H](C)C#N 308086347 346255326 /nfs/dbraw/zinc/25/53/26/346255326.db2.gz IMOJTTDRLHKVGC-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN C=C(C)CCS[C@H](C)C(=O)OC 308093426 346255883 /nfs/dbraw/zinc/25/58/83/346255883.db2.gz VTCMZWQJOYGEEA-MRVPVSSYSA-N 0 0 188.292 2.247 10 30 AEEERN C=C(C)CCS[C@@H](C)C(=O)OC 308093427 346255766 /nfs/dbraw/zinc/25/57/66/346255766.db2.gz VTCMZWQJOYGEEA-QMMMGPOBSA-N 0 0 188.292 2.247 10 30 AEEERN CCOc1ccc(C(Cl)=N[O-])cc1 308117659 346257006 /nfs/dbraw/zinc/25/70/06/346257006.db2.gz CPKIZIAWOUQFDE-UHFFFAOYSA-N 0 0 199.637 2.460 10 30 AEEERN C=CCCC(=O)N[C@@H](C)C(C)C 308135088 346258863 /nfs/dbraw/zinc/25/88/63/346258863.db2.gz ZLJZFSQJAHWEJO-VIFPVBQESA-N 0 0 169.268 2.113 10 30 AEEERN C=CCCC(=O)N[C@H](C)C(C)C 308135076 346258968 /nfs/dbraw/zinc/25/89/68/346258968.db2.gz ZLJZFSQJAHWEJO-SECBINFHSA-N 0 0 169.268 2.113 10 30 AEEERN CC(C)(C)CCN(CC#N)C1CC1 308138630 346259654 /nfs/dbraw/zinc/25/96/54/346259654.db2.gz GWNCKBUKHAVQLC-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)ON=CC1CCOCC1 308137702 346259757 /nfs/dbraw/zinc/25/97/57/346259757.db2.gz GIYVUPNDFZBMHP-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN CCOCCSCCCCC#N 308141059 346260059 /nfs/dbraw/zinc/26/00/59/346260059.db2.gz HLAWKGXVVSEVEA-UHFFFAOYSA-N 0 0 187.308 2.450 10 30 AEEERN C=CCCSCc1nnc(C)o1 308140042 346260301 /nfs/dbraw/zinc/26/03/01/346260301.db2.gz GVJCALSKOZZZQK-UHFFFAOYSA-N 0 0 184.264 2.187 10 30 AEEERN C=CCN(CC=C)CC(F)(F)F 308142772 346261002 /nfs/dbraw/zinc/26/10/02/346261002.db2.gz IFYZJPNHQDQRBQ-UHFFFAOYSA-N 0 0 179.185 2.223 10 30 AEEERN CC(=NNC(C)(C)C)c1cscn1 308151348 346261834 /nfs/dbraw/zinc/26/18/34/346261834.db2.gz ONOBPKGRUVVPSC-UHFFFAOYSA-N 0 0 197.307 2.255 10 30 AEEERN C/C=C\C(=O)c1cccc(C#N)c1 308152456 346262478 /nfs/dbraw/zinc/26/24/78/346262478.db2.gz KNCNBMZONWNLDI-RQOWECAXSA-N 0 0 171.199 2.317 10 30 AEEERN N#CCN(CCCCCF)C1CC1 308155443 346262898 /nfs/dbraw/zinc/26/28/98/346262898.db2.gz AMNNHEPLVRWDGQ-UHFFFAOYSA-N 0 0 184.258 2.114 10 30 AEEERN C=CCSCc1ccnc(C)n1 308167242 346265149 /nfs/dbraw/zinc/26/51/49/346265149.db2.gz VCWKBGFLEZYUIS-UHFFFAOYSA-N 0 0 180.276 2.204 10 30 AEEERN C=CCSCc1nc(C2CC2)no1 308167807 346265309 /nfs/dbraw/zinc/26/53/09/346265309.db2.gz AKXHPZRWHKNRQK-UHFFFAOYSA-N 0 0 196.275 2.366 10 30 AEEERN CCOc1c(Cl)cccc1C=NN 308166807 346265520 /nfs/dbraw/zinc/26/55/20/346265520.db2.gz ACNSJDDJQZGMTA-UHFFFAOYSA-N 0 0 198.653 2.031 10 30 AEEERN C=C[C@@H]1CC[C@@H](O)[C@H](OCCC)C1 308171767 346266195 /nfs/dbraw/zinc/26/61/95/346266195.db2.gz WBKSXWUCPDFXMN-GMTAPVOTSA-N 0 0 184.279 2.129 10 30 AEEERN N#CCCCSCC1CCOCC1 308193291 346268208 /nfs/dbraw/zinc/26/82/08/346268208.db2.gz PYWWIUMPPAOVPE-UHFFFAOYSA-N 0 0 199.319 2.450 10 30 AEEERN CC(C)CCCn1cc(C#N)cn1 308214051 346270334 /nfs/dbraw/zinc/27/03/34/346270334.db2.gz YILVCXWFDYGQAS-UHFFFAOYSA-N 0 0 177.251 2.191 10 30 AEEERN C=CCCC(=O)N(CC)CC(=C)C 308213544 346270586 /nfs/dbraw/zinc/27/05/86/346270586.db2.gz HUNWBHAODLHWGN-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN COCCCCSCC1(C#N)CC1 308218871 346271241 /nfs/dbraw/zinc/27/12/41/346271241.db2.gz BJWGYRBHYDOFPZ-UHFFFAOYSA-N 0 0 199.319 2.450 10 30 AEEERN C=CCCSCc1nnc(CC)o1 308219905 346271839 /nfs/dbraw/zinc/27/18/39/346271839.db2.gz BYNGMHOTSKTPCS-UHFFFAOYSA-N 0 0 198.291 2.441 10 30 AEEERN C[C@H](C#N)C[NH2+][C@H](C)[C@@H]1CC1(C)C 308226243 346272094 /nfs/dbraw/zinc/27/20/94/346272094.db2.gz DWSJKZXXPHKENB-BBBLOLIVSA-N 0 0 180.295 2.170 10 30 AEEERN C[C@H](C#N)C[NH2+][C@H](C)[C@H]1CC1(C)C 308226246 346272326 /nfs/dbraw/zinc/27/23/26/346272326.db2.gz DWSJKZXXPHKENB-OPRDCNLKSA-N 0 0 180.295 2.170 10 30 AEEERN C[C@H](C#N)C[NH2+][C@@H](C)[C@H]1CC1(C)C 308226245 346272494 /nfs/dbraw/zinc/27/24/94/346272494.db2.gz DWSJKZXXPHKENB-KXUCPTDWSA-N 0 0 180.295 2.170 10 30 AEEERN C[C@H](C#N)C[NH2+][C@@H](C)[C@@H]1CC1(C)C 308226248 346272541 /nfs/dbraw/zinc/27/25/41/346272541.db2.gz DWSJKZXXPHKENB-UTLUCORTSA-N 0 0 180.295 2.170 10 30 AEEERN C=CCCCN(C)C(=O)[C@H](C)CC 308252405 346276660 /nfs/dbraw/zinc/27/66/60/346276660.db2.gz BXPVGQPIDZJJAC-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCN(C)C(=O)[C@@H](C)CC 308252404 346276731 /nfs/dbraw/zinc/27/67/31/346276731.db2.gz BXPVGQPIDZJJAC-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCC(=O)N(C)c1nccs1 308251873 346276988 /nfs/dbraw/zinc/27/69/88/346276988.db2.gz GACUIYKOORGRHK-UHFFFAOYSA-N 0 0 196.275 2.072 10 30 AEEERN C=C(CC)CSCc1nncn1C 308253722 346277558 /nfs/dbraw/zinc/27/75/58/346277558.db2.gz CRLDRUOEWAAJTB-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN C=CCCCN(C)c1nc(C)ns1 308265090 346278573 /nfs/dbraw/zinc/27/85/73/346278573.db2.gz OXQIIMJKTVSEDP-UHFFFAOYSA-N 0 0 197.307 2.249 10 30 AEEERN C=CCCCN(C)c1ccccn1 308264668 346279003 /nfs/dbraw/zinc/27/90/03/346279003.db2.gz OLUOQQIABKDUJP-UHFFFAOYSA-N 0 0 176.263 2.484 10 30 AEEERN CC(C)(C)NN=Cc1ccccc1 308275580 346280235 /nfs/dbraw/zinc/28/02/35/346280235.db2.gz UXBFYWACIZHAMU-UHFFFAOYSA-N 0 0 176.263 2.409 10 30 AEEERN C/C=C\CNc1cc(C)nc(C#N)c1 308280066 346280723 /nfs/dbraw/zinc/28/07/23/346280723.db2.gz QUPDRYWENPGBMC-ARJAWSKDSA-N 0 0 187.246 2.250 10 30 AEEERN CC1(CN(CC#N)C2CC2)CCC1 308288482 346281908 /nfs/dbraw/zinc/28/19/08/346281908.db2.gz FQAWLVALTBUADK-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN CCON=C1C[C@](C)(OC)C1(C)C 308289616 346282820 /nfs/dbraw/zinc/28/28/20/346282820.db2.gz CWMVDNGEZGVOSJ-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN CCON=C1C[C@@](C)(OC)C1(C)C 308289617 346282895 /nfs/dbraw/zinc/28/28/95/346282895.db2.gz CWMVDNGEZGVOSJ-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN C=CCSCCn1nc(C)cc1C 308289209 346282903 /nfs/dbraw/zinc/28/29/03/346282903.db2.gz COGCGNHWNOSHGS-UHFFFAOYSA-N 0 0 196.319 2.419 10 30 AEEERN CCON=Cc1cc(C)n(C)c1C 308291594 346282998 /nfs/dbraw/zinc/28/29/98/346282998.db2.gz FFWOMVYOHZMMHN-UHFFFAOYSA-N 0 0 180.251 2.012 10 30 AEEERN C=C(C)CS[C@@H](C)c1nncn1C 308292430 346283302 /nfs/dbraw/zinc/28/33/02/346283302.db2.gz IAHXZCFGEKFTRS-QMMMGPOBSA-N 0 0 197.307 2.185 10 30 AEEERN C=C(C)CS[C@H](C)c1nncn1C 308292428 346283510 /nfs/dbraw/zinc/28/35/10/346283510.db2.gz IAHXZCFGEKFTRS-MRVPVSSYSA-N 0 0 197.307 2.185 10 30 AEEERN C=C(C)CCSCc1cn(C)nn1 308320640 346288364 /nfs/dbraw/zinc/28/83/64/346288364.db2.gz AYAAKJXWSGZZOJ-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN C=CCCCN(C)C(=O)[C@@H]1C[C@@H]1C 308320383 346288483 /nfs/dbraw/zinc/28/84/83/346288483.db2.gz YDQOZOHUVGSNHK-VHSXEESVSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCCN(C)C(=O)[C@H]1C[C@H]1C 308320385 346288489 /nfs/dbraw/zinc/28/84/89/346288489.db2.gz YDQOZOHUVGSNHK-ZJUUUORDSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCCN(C)C(=O)[C@@H]1C[C@H]1C 308320380 346288492 /nfs/dbraw/zinc/28/84/92/346288492.db2.gz YDQOZOHUVGSNHK-NXEZZACHSA-N 0 0 181.279 2.067 10 30 AEEERN CC=NOC(=O)Nc1ccccc1 308321431 346288590 /nfs/dbraw/zinc/28/85/90/346288590.db2.gz YUWQCAUPCSDCNP-UHFFFAOYSA-N 0 0 178.191 2.241 10 30 AEEERN C=CCCCN(C)C(=O)[C@H]1C[C@@H]1C 308320382 346288646 /nfs/dbraw/zinc/28/86/46/346288646.db2.gz YDQOZOHUVGSNHK-UWVGGRQHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCc1nc(CC(C)C)no1 308325793 346289921 /nfs/dbraw/zinc/28/99/21/346289921.db2.gz FUQIEZOSJVFBIF-UHFFFAOYSA-N 0 0 180.251 2.387 10 30 AEEERN CC(=NN)[C@@H]1C[C@@H]1c1ccccc1 308333027 346290404 /nfs/dbraw/zinc/29/04/04/346290404.db2.gz LYKZLDAJKIPAGA-WDEREUQCSA-N 0 0 174.247 2.125 10 30 AEEERN C1CCC(NN=C2CCSC2)CC1 308331913 346290495 /nfs/dbraw/zinc/29/04/95/346290495.db2.gz LFLCWWCYKSZJEF-UHFFFAOYSA-N 0 0 198.335 2.402 10 30 AEEERN CC(=NN)[C@H]1C[C@@H]1c1ccccc1 308333016 346290546 /nfs/dbraw/zinc/29/05/46/346290546.db2.gz LYKZLDAJKIPAGA-GHMZBOCLSA-N 0 0 174.247 2.125 10 30 AEEERN CC(=NN)[C@@H]1C[C@H]1c1ccccc1 308333022 346290569 /nfs/dbraw/zinc/29/05/69/346290569.db2.gz LYKZLDAJKIPAGA-QWRGUYRKSA-N 0 0 174.247 2.125 10 30 AEEERN CC(=NN)[C@H]1C[C@H]1c1ccccc1 308333019 346290699 /nfs/dbraw/zinc/29/06/99/346290699.db2.gz LYKZLDAJKIPAGA-MNOVXSKESA-N 0 0 174.247 2.125 10 30 AEEERN C=C(C)CCSCc1cnnn1C 308336241 346291087 /nfs/dbraw/zinc/29/10/87/346291087.db2.gz OBHQLJNDXCPXNY-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN CC#CCCSCc1cnn(C)c1 308334966 346291122 /nfs/dbraw/zinc/29/11/22/346291122.db2.gz NHLYYQYIYNSZCQ-UHFFFAOYSA-N 0 0 194.303 2.067 10 30 AEEERN C=C(C)CCSCc1nncn1C 308337645 346291193 /nfs/dbraw/zinc/29/11/93/346291193.db2.gz OXDOQMVBRRTJTP-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN C=CCCC(=O)NC[C@@H](C)C(C)C 308351625 346291455 /nfs/dbraw/zinc/29/14/55/346291455.db2.gz YSBVHBDEXWBZPJ-SNVBAGLBSA-N 0 0 183.295 2.361 10 30 AEEERN C=CCCC(=O)NC[C@H](C)C(C)C 308351624 346291657 /nfs/dbraw/zinc/29/16/57/346291657.db2.gz YSBVHBDEXWBZPJ-JTQLQIEISA-N 0 0 183.295 2.361 10 30 AEEERN C=C(C)CCSCc1ncnn1C 308351082 346291671 /nfs/dbraw/zinc/29/16/71/346291671.db2.gz YKCNYWAWDWQAAS-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN N#CCN(CC1CCC1)CC1CC1 308354717 346291777 /nfs/dbraw/zinc/29/17/77/346291777.db2.gz AJANGJSSCMVWLM-UHFFFAOYSA-N 0 0 178.279 2.022 10 30 AEEERN COc1ccc2c(c1)CC(=NO)CC2 308368381 346293341 /nfs/dbraw/zinc/29/33/41/346293341.db2.gz NEMOWGVHPDJJRU-UHFFFAOYSA-N 0 0 191.230 2.014 10 30 AEEERN C/C=C\CCNc1cccnc1C#N 308384214 346295093 /nfs/dbraw/zinc/29/50/93/346295093.db2.gz FELVYHVUGAHZMX-IHWYPQMZSA-N 0 0 187.246 2.331 10 30 AEEERN C=CCSCc1nc(CCC)no1 308396186 346297395 /nfs/dbraw/zinc/29/73/95/346297395.db2.gz DIKAZPGKXPNSTG-UHFFFAOYSA-N 0 0 198.291 2.441 10 30 AEEERN CO[C@@H]1C/C(=C/C(C)=O)C12CCC2 308411779 346300198 /nfs/dbraw/zinc/30/01/98/346300198.db2.gz HKSDRLCMNCNQIJ-ABRRARGCSA-N 0 0 180.247 2.091 10 30 AEEERN CO[C@H]1C/C(=C/C(C)=O)C12CCC2 308411780 346300305 /nfs/dbraw/zinc/30/03/05/346300305.db2.gz HKSDRLCMNCNQIJ-MBACFSSFSA-N 0 0 180.247 2.091 10 30 AEEERN C=CCCCN(C)C(=O)CCC=C 308422326 346300930 /nfs/dbraw/zinc/30/09/30/346300930.db2.gz PCCCLPHZZRYUTL-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C/C=C(\CC)C(=O)c1cccnc1N 308429130 346302785 /nfs/dbraw/zinc/30/27/85/346302785.db2.gz BXPMHZLJQYMXLK-FPYGCLRLSA-N 0 0 190.246 2.203 10 30 AEEERN C/C=C\COc1cc(C#N)cc(C)n1 308435662 346303395 /nfs/dbraw/zinc/30/33/95/346303395.db2.gz MSFHWGOGSJXNIX-ARJAWSKDSA-N 0 0 188.230 2.217 10 30 AEEERN C/C=C\C(=O)c1cccc(F)c1C#N 308452290 346304752 /nfs/dbraw/zinc/30/47/52/346304752.db2.gz GRSSOPOROVWTRK-RQOWECAXSA-N 0 0 189.189 2.456 10 30 AEEERN N#Cc1cc(F)cc(OCCCF)c1 308466668 346305392 /nfs/dbraw/zinc/30/53/92/346305392.db2.gz HMPWUXICGFPHRI-UHFFFAOYSA-N 0 0 197.184 2.436 10 30 AEEERN C/C=C\C(=O)c1ccc(C#N)c(F)c1 308459716 346305423 /nfs/dbraw/zinc/30/54/23/346305423.db2.gz PPXMSWLTBHAXKA-IHWYPQMZSA-N 0 0 189.189 2.456 10 30 AEEERN N#Cc1cccc(NCCCCF)n1 308475696 346305785 /nfs/dbraw/zinc/30/57/85/346305785.db2.gz JHDLFRXNLBIDJU-UHFFFAOYSA-N 0 0 193.225 2.115 10 30 AEEERN N#Cc1ccc(NCCCCF)cn1 308476818 346305979 /nfs/dbraw/zinc/30/59/79/346305979.db2.gz JUKWSFMIHMGMHP-UHFFFAOYSA-N 0 0 193.225 2.115 10 30 AEEERN C=CCCCNc1ccncc1C#N 308490767 346307416 /nfs/dbraw/zinc/30/74/16/346307416.db2.gz BMOUKKKAPHAGKN-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN C=CCC[C@@H](O)C[C@H](O)c1ccco1 308494604 346308064 /nfs/dbraw/zinc/30/80/64/346308064.db2.gz UTICEIYKQHXDOE-ZJUUUORDSA-N 0 0 196.246 2.030 10 30 AEEERN C#CCON[C@H]1C=CCCCCC1 308503548 346309020 /nfs/dbraw/zinc/30/90/20/346309020.db2.gz YCCOQUFJWRLCTF-NSHDSACASA-N 0 0 179.263 2.030 10 30 AEEERN C#CCON[C@@H]1C=CCCCCC1 308503547 346309190 /nfs/dbraw/zinc/30/91/90/346309190.db2.gz YCCOQUFJWRLCTF-LLVKDONJSA-N 0 0 179.263 2.030 10 30 AEEERN C=CCCN(C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 308514469 346309882 /nfs/dbraw/zinc/30/98/82/346309882.db2.gz DPSDLQWZELBQCK-JGPRNRPPSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCCNc1cnccc1C#N 308511068 346309889 /nfs/dbraw/zinc/30/98/89/346309889.db2.gz BZOOHMDJGFSQJJ-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN N#Cc1ccncc1NCCCCF 308544988 346311365 /nfs/dbraw/zinc/31/13/65/346311365.db2.gz VHUJSRMDTSOVMO-UHFFFAOYSA-N 0 0 193.225 2.115 10 30 AEEERN C/C=C\C(=O)c1ccc2c(c1)OCC2 308548003 346311209 /nfs/dbraw/zinc/31/12/09/346311209.db2.gz OQQRFEQSOFHWAZ-IHWYPQMZSA-N 0 0 188.226 2.380 10 30 AEEERN N#Cc1ccnc(NCCCCF)c1 308542361 346311313 /nfs/dbraw/zinc/31/13/13/346311313.db2.gz ULTQNICKWPRTOI-UHFFFAOYSA-N 0 0 193.225 2.115 10 30 AEEERN C=CCCCNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 308561421 346312057 /nfs/dbraw/zinc/31/20/57/346312057.db2.gz WEMQUNVRXXTZLA-JGPRNRPPSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCCNc1ccnc(C#N)c1 308554644 346312302 /nfs/dbraw/zinc/31/23/02/346312302.db2.gz RPJHSQOLEKDROX-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN N#Cc1ncccc1NCCCCF 308550235 346312306 /nfs/dbraw/zinc/31/23/06/346312306.db2.gz XFKYLVAAJIMNSI-UHFFFAOYSA-N 0 0 193.225 2.115 10 30 AEEERN C=CCCCNc1cccc(C#N)n1 308564132 346312339 /nfs/dbraw/zinc/31/23/39/346312339.db2.gz XOKNNXOWBHLKMT-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN C=CCCC(=O)C[C@H](O)c1ccco1 308570350 346313012 /nfs/dbraw/zinc/31/30/12/346313012.db2.gz DQLZRCIOEHCOIA-JTQLQIEISA-N 0 0 194.230 2.238 10 30 AEEERN C=CCCCNc1ccc(C#N)cn1 308569041 346313105 /nfs/dbraw/zinc/31/31/05/346313105.db2.gz ZYPCKSNCJCCLJN-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN O=C(C=CO)c1cc2ccccc2[nH]1 308631157 346315956 /nfs/dbraw/zinc/31/59/56/346315956.db2.gz UWALQQDEPMMSKC-WAYWQWQTSA-N 0 0 187.198 2.422 10 30 AEEERN CC(C)C[C@H](C)Cn1cc(C#N)cn1 308653877 346316527 /nfs/dbraw/zinc/31/65/27/346316527.db2.gz MFDXEYWWARYYJT-JTQLQIEISA-N 0 0 191.278 2.437 10 30 AEEERN CC(C)C[C@@H](C)Cn1cc(C#N)cn1 308653878 346316854 /nfs/dbraw/zinc/31/68/54/346316854.db2.gz MFDXEYWWARYYJT-SNVBAGLBSA-N 0 0 191.278 2.437 10 30 AEEERN CN(CC#N)C(=O)C(C)(C)C(C)(C)C 308733283 346318377 /nfs/dbraw/zinc/31/83/77/346318377.db2.gz KKXCXISQKKQYAJ-UHFFFAOYSA-N 0 0 196.294 2.041 10 30 AEEERN N#Cc1cccc(NCc2cocn2)c1 308872423 346319009 /nfs/dbraw/zinc/31/90/09/346319009.db2.gz KUIQDBHQRFAURZ-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN N#Cc1cccnc1N[C@@H]1[C@H]2CCC[C@H]21 308867909 346319177 /nfs/dbraw/zinc/31/91/77/346319177.db2.gz HCAGDLIVYFLOJY-URLYPYJESA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cnccc1NCc1ccoc1 308867892 346319243 /nfs/dbraw/zinc/31/92/43/346319243.db2.gz GZFGQGPVXATGRH-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN N#Cc1cnccc1N[C@@H]1C[C@H]1C1CC1 308856346 346319327 /nfs/dbraw/zinc/31/93/27/346319327.db2.gz PXUXVOIOOGSVOU-CMPLNLGQSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cccc(N[C@@H]2[C@H]3CCC[C@H]32)n1 308926935 346319749 /nfs/dbraw/zinc/31/97/49/346319749.db2.gz KXBFJMCEUMUHNU-IAZYJMLFSA-N 0 0 199.257 2.164 10 30 AEEERN Cc1nc(N2CC=CCC2)ccc1C#N 309032541 346319844 /nfs/dbraw/zinc/31/98/44/346319844.db2.gz CPKCBNFLQYBHSB-UHFFFAOYSA-N 0 0 199.257 2.028 10 30 AEEERN Cc1ccc(NC2CC=CC2)nc1C#N 309164989 346319985 /nfs/dbraw/zinc/31/99/85/346319985.db2.gz IQWIIMKFHJBKGL-UHFFFAOYSA-N 0 0 199.257 2.392 10 30 AEEERN N#Cc1cnccc1N[C@@H]1[C@H]2CCC[C@H]21 308891135 346320120 /nfs/dbraw/zinc/32/01/20/346320120.db2.gz WXGTVLOXSIKGFQ-IAZYJMLFSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cnccc1N[C@H]1[C@H]2CCC[C@H]21 308891137 346320216 /nfs/dbraw/zinc/32/02/16/346320216.db2.gz WXGTVLOXSIKGFQ-PEGIJTEDSA-N 0 0 199.257 2.164 10 30 AEEERN N#Cc1cccc(N[C@H]2[C@H]3CCC[C@H]32)n1 308926944 346320321 /nfs/dbraw/zinc/32/03/21/346320321.db2.gz KXBFJMCEUMUHNU-PEGIJTEDSA-N 0 0 199.257 2.164 10 30 AEEERN C/C=C\C(=O)c1cc(C)ns1 312042009 346321038 /nfs/dbraw/zinc/32/10/38/346321038.db2.gz RXVDAPJKPSNLTQ-ARJAWSKDSA-N 0 0 167.233 2.210 10 30 AEEERN C=C(CC)CNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 313536277 346322026 /nfs/dbraw/zinc/32/20/26/346322026.db2.gz MLVUQTGDHGJJNO-JGPRNRPPSA-N 0 0 193.290 2.115 10 30 AEEERN Cc1ccnc(N[C@H]2CC23CC3)c1C#N 335107819 346378488 /nfs/dbraw/zinc/37/84/88/346378488.db2.gz KPCJEOVRGHBMIG-JTQLQIEISA-N 0 0 199.257 2.226 10 30 AEEERN C[C@H]1C[C@H]1N(CC#N)c1ccccc1 335175415 346381665 /nfs/dbraw/zinc/38/16/65/346381665.db2.gz MBZMCQQKZDOZFC-CMPLNLGQSA-N 0 0 186.258 2.425 10 30 AEEERN C[C@H]1C[C@@H]1N(CC#N)c1ccccc1 335175416 346382311 /nfs/dbraw/zinc/38/23/11/346382311.db2.gz MBZMCQQKZDOZFC-JQWIXIFHSA-N 0 0 186.258 2.425 10 30 AEEERN C[C@H]1CC(C)(C)CN1C(C)(C)C#N 335187406 346382688 /nfs/dbraw/zinc/38/26/88/346382688.db2.gz FEAPUBBMDPVJAJ-VIFPVBQESA-N 0 0 180.295 2.409 10 30 AEEERN Cc1cccc(Cn2cc(C#N)cn2)c1 335569327 346406004 /nfs/dbraw/zinc/40/60/04/346406004.db2.gz ULXOPCJCYBRFJX-UHFFFAOYSA-N 0 0 197.241 2.112 10 30 AEEERN CC1(C)CCCN1C(=O)CCCC#N 335728138 346416477 /nfs/dbraw/zinc/41/64/77/346416477.db2.gz FSHDEGMHFDMPFY-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN CCCN(C)c1ccc(C)c(C#N)n1 336047934 346436153 /nfs/dbraw/zinc/43/61/53/346436153.db2.gz QOMXXIZNGPZJST-UHFFFAOYSA-N 0 0 189.262 2.108 10 30 AEEERN C=CCCC(=O)NC(C)(C)CC 379313142 346493531 /nfs/dbraw/zinc/49/35/31/346493531.db2.gz FJCFMMWAQXDFRF-UHFFFAOYSA-N 0 0 169.268 2.257 10 30 AEEERN CO[C@@H](C)CSCCCCC#N 379331398 346500078 /nfs/dbraw/zinc/50/00/78/346500078.db2.gz CVSFKOCCRVEEHQ-VIFPVBQESA-N 0 0 187.308 2.448 10 30 AEEERN C=C(C)CCc1noc(CSC)n1 349603896 346481585 /nfs/dbraw/zinc/48/15/85/346481585.db2.gz NCTYIQUNEITNEL-UHFFFAOYSA-N 0 0 198.291 2.441 10 30 AEEERN C=CCCc1nc(CCC)no1 349604017 346481640 /nfs/dbraw/zinc/48/16/40/346481640.db2.gz QAHRBGHLXIDDDT-UHFFFAOYSA-N 0 0 166.224 2.141 10 30 AEEERN C=CCOCc1nc(C(C)(C)C)no1 349794466 346482288 /nfs/dbraw/zinc/48/22/88/346482288.db2.gz DBBFLAAMOUMWFX-UHFFFAOYSA-N 0 0 196.250 2.070 10 30 AEEERN C=CCCc1noc(CSC)n1 351132828 346482757 /nfs/dbraw/zinc/48/27/57/346482757.db2.gz PYBHDRXCXJDMHH-UHFFFAOYSA-N 0 0 184.264 2.051 10 30 AEEERN C=CCCc1noc(CCSC)n1 351129880 346483152 /nfs/dbraw/zinc/48/31/52/346483152.db2.gz MCQXKPRPKVFSCJ-UHFFFAOYSA-N 0 0 198.291 2.094 10 30 AEEERN C=CCCc1noc(CCCC#N)n1 351130105 346483200 /nfs/dbraw/zinc/48/32/00/346483200.db2.gz IAVIAGACMSLTHY-UHFFFAOYSA-N 0 0 191.234 2.034 10 30 AEEERN CON=C1CC[C@@H](C(C)C)C1 378788592 346484693 /nfs/dbraw/zinc/48/46/93/346484693.db2.gz LGDLOGXCCYFUAR-MRVPVSSYSA-N 0 0 155.241 2.445 10 30 AEEERN CON=C1CC[C@H](C(C)C)C1 378788593 346484740 /nfs/dbraw/zinc/48/47/40/346484740.db2.gz LGDLOGXCCYFUAR-QMMMGPOBSA-N 0 0 155.241 2.445 10 30 AEEERN C[C@@H]1CCC(=NNC[C@H]2C[C@H]2C)C1 378859714 346485046 /nfs/dbraw/zinc/48/50/46/346485046.db2.gz NSVWLSIIXBYIQO-OPRDCNLKSA-N 0 0 180.295 2.408 10 30 AEEERN C[C@H]1C[C@H]1CNN=C1CC[C@@H](C)C1 378859715 346485161 /nfs/dbraw/zinc/48/51/61/346485161.db2.gz NSVWLSIIXBYIQO-UTLUCORTSA-N 0 0 180.295 2.408 10 30 AEEERN C[C@H]1C[C@@H]1CNN=C1CC[C@@H](C)C1 378859713 346485206 /nfs/dbraw/zinc/48/52/06/346485206.db2.gz NSVWLSIIXBYIQO-KXUCPTDWSA-N 0 0 180.295 2.408 10 30 AEEERN C[C@@H]1CCC(=NNC[C@@H]2C[C@H]2C)C1 378859712 346485449 /nfs/dbraw/zinc/48/54/49/346485449.db2.gz NSVWLSIIXBYIQO-BBBLOLIVSA-N 0 0 180.295 2.408 10 30 AEEERN CC[C@H](C)NN=C1CCCSC1 378875490 346486166 /nfs/dbraw/zinc/48/61/66/346486166.db2.gz ZFMIWFSYJAKKTL-QMMMGPOBSA-N 0 0 186.324 2.258 10 30 AEEERN CC[C@@H](C)NN=C1CCCSC1 378875489 346486186 /nfs/dbraw/zinc/48/61/86/346486186.db2.gz ZFMIWFSYJAKKTL-MRVPVSSYSA-N 0 0 186.324 2.258 10 30 AEEERN C=CCCSCc1ccno1 379176309 346489124 /nfs/dbraw/zinc/48/91/24/346489124.db2.gz NHUKOLLWGCIMGQ-UHFFFAOYSA-N 0 0 169.249 2.484 10 30 AEEERN C=C(C)CCSCC(C)(C)O 379223499 346489802 /nfs/dbraw/zinc/48/98/02/346489802.db2.gz LASMMNMPPFJTBT-UHFFFAOYSA-N 0 0 174.309 2.457 10 30 AEEERN C=CCSCCOCC1CC1 379248269 346490917 /nfs/dbraw/zinc/49/09/17/346490917.db2.gz CQSTUZZLUACMQY-UHFFFAOYSA-N 0 0 172.293 2.332 10 30 AEEERN C=CCNC(=O)CC(C)(C)CC 379311163 346492144 /nfs/dbraw/zinc/49/21/44/346492144.db2.gz HTFDVGUBESXDGN-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN CCC(C)(C)CCN(C)CC#N 379312576 346492721 /nfs/dbraw/zinc/49/27/21/346492721.db2.gz AZRFCYLPELFQOZ-UHFFFAOYSA-N 0 0 168.284 2.268 10 30 AEEERN CCCCCN(CC#N)C1CC1 379313428 346493489 /nfs/dbraw/zinc/49/34/89/346493489.db2.gz HKNJGECRWIWFMO-UHFFFAOYSA-N 0 0 166.268 2.165 10 30 AEEERN CCN(CC#N)CC1(C)CCC1 379322618 346496367 /nfs/dbraw/zinc/49/63/67/346496367.db2.gz KFNVGLJNFHVVSO-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN C=CCCCSCC(=O)OCC 379325470 346496773 /nfs/dbraw/zinc/49/67/73/346496773.db2.gz CKEDHFJMQLHACT-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN CCCCCN1CC(C)(C#N)C1 379325501 346497027 /nfs/dbraw/zinc/49/70/27/346497027.db2.gz CORLEWXORJVZBJ-UHFFFAOYSA-N 0 0 166.268 2.022 10 30 AEEERN COCCS[C@@H]1CC[C@@H](C#N)C1 379325726 346497504 /nfs/dbraw/zinc/49/75/04/346497504.db2.gz DOTLGPLDDOBGIK-RKDXNWHRSA-N 0 0 185.292 2.058 10 30 AEEERN COCCS[C@@H]1CC[C@H](C#N)C1 379325724 346497561 /nfs/dbraw/zinc/49/75/61/346497561.db2.gz DOTLGPLDDOBGIK-DTWKUNHWSA-N 0 0 185.292 2.058 10 30 AEEERN COCCS[C@H]1CC[C@H](C#N)C1 379325725 346497588 /nfs/dbraw/zinc/49/75/88/346497588.db2.gz DOTLGPLDDOBGIK-IUCAKERBSA-N 0 0 185.292 2.058 10 30 AEEERN COCCS[C@H]1CC[C@@H](C#N)C1 379325723 346497635 /nfs/dbraw/zinc/49/76/35/346497635.db2.gz DOTLGPLDDOBGIK-BDAKNGLRSA-N 0 0 185.292 2.058 10 30 AEEERN C=C(C)CSCc1cnn(C)c1 379327562 346497971 /nfs/dbraw/zinc/49/79/71/346497971.db2.gz LDJVSXJODHMORI-UHFFFAOYSA-N 0 0 182.292 2.229 10 30 AEEERN C=CCCSc1ncc(C)cn1 379326762 346498096 /nfs/dbraw/zinc/49/80/96/346498096.db2.gz ATUXRYXADGXACU-UHFFFAOYSA-N 0 0 180.276 2.453 10 30 AEEERN C/C=C\C[C@@]1(C#N)CCCOC1 379326840 346498102 /nfs/dbraw/zinc/49/81/02/346498102.db2.gz AXRGUFJUOWYYGW-ZMWSMAPVSA-N 0 0 165.236 2.273 10 30 AEEERN C/C=C\C[C@]1(C#N)CCCOC1 379326832 346498197 /nfs/dbraw/zinc/49/81/97/346498197.db2.gz AXRGUFJUOWYYGW-MXQLGCADSA-N 0 0 165.236 2.273 10 30 AEEERN C=CCCSCc1ccn(C)n1 379328979 346498753 /nfs/dbraw/zinc/49/87/53/346498753.db2.gz RXIXSMVMOPHVIX-UHFFFAOYSA-N 0 0 182.292 2.229 10 30 AEEERN CO[C@H](C)CSCCCCC#N 379331397 346500133 /nfs/dbraw/zinc/50/01/33/346500133.db2.gz CVSFKOCCRVEEHQ-SECBINFHSA-N 0 0 187.308 2.448 10 30 AEEERN C=CCN(C)Cc1scnc1C 379331807 346500453 /nfs/dbraw/zinc/50/04/53/346500453.db2.gz FDTJEENYGHWOMH-UHFFFAOYSA-N 0 0 182.292 2.069 10 30 AEEERN C=CCCOc1ccc(C)nc1 379332936 346500523 /nfs/dbraw/zinc/50/05/23/346500523.db2.gz JZDDIXSOTKIGGH-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN N#CC1(COCC2CC2)CCC1 379336022 346501579 /nfs/dbraw/zinc/50/15/79/346501579.db2.gz YIQRRCXJOQTZBT-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN CON=C(C)c1c(C)c[nH]c1C 379336629 346502220 /nfs/dbraw/zinc/50/22/20/346502220.db2.gz RNCNBRHGDBXUCP-UHFFFAOYSA-N 0 0 166.224 2.002 10 30 AEEERN C=CCSCCn1cc(C)cn1 379338334 346502844 /nfs/dbraw/zinc/50/28/44/346502844.db2.gz IVAJNDRCPGJBDD-UHFFFAOYSA-N 0 0 182.292 2.111 10 30 AEEERN CCN(CC#N)Cc1csc(C)c1 379345847 346504046 /nfs/dbraw/zinc/50/40/46/346504046.db2.gz DGUZVSNOKSLYDI-UHFFFAOYSA-N 0 0 194.303 2.402 10 30 AEEERN C=CCCCn1cc(C(C)=O)cn1 379351364 346504159 /nfs/dbraw/zinc/50/41/59/346504159.db2.gz ACLIQNQGOGLLMS-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN C=CCN(CCC#N)CCSCC 379352332 346504475 /nfs/dbraw/zinc/50/44/75/346504475.db2.gz AZXCKWTWAUFJOK-UHFFFAOYSA-N 0 0 198.335 2.141 10 30 AEEERN C=C(C)CN(CC)Cc1ccon1 379354000 346505215 /nfs/dbraw/zinc/50/52/15/346505215.db2.gz HDGWMJDJVHMKKH-UHFFFAOYSA-N 0 0 180.251 2.073 10 30 AEEERN CC1(C#N)CCN(C/C=C\Cl)CC1 379364024 346507075 /nfs/dbraw/zinc/50/70/75/346507075.db2.gz HGUXHEDQLYOWKC-DJWKRKHSSA-N 0 0 198.697 2.365 10 30 AEEERN C=CCSCc1ccnc(C#N)c1 379369223 346508088 /nfs/dbraw/zinc/50/80/88/346508088.db2.gz PLKRMDGFWSWIRH-UHFFFAOYSA-N 0 0 190.271 2.372 10 30 AEEERN N#CCCCCN1CCC(F)(F)C1 379371554 346508840 /nfs/dbraw/zinc/50/88/40/346508840.db2.gz IDXJKBWJWVXPOI-UHFFFAOYSA-N 0 0 188.221 2.021 10 30 AEEERN N#CCCCCSc1cccnn1 379376759 346509340 /nfs/dbraw/zinc/50/93/40/346509340.db2.gz UZFVWEMVIRPEJG-UHFFFAOYSA-N 0 0 193.275 2.263 10 30 AEEERN C=CCCC(=O)N(C)C1CCCC1 379379611 346509995 /nfs/dbraw/zinc/50/99/95/346509995.db2.gz BECPGBBPKHAQRF-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN C=C(CC)CSCc1cn(C)nn1 379379822 346510690 /nfs/dbraw/zinc/51/06/90/346510690.db2.gz BKJGOUHFYSDCSD-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN C=CCCC(=O)N(C)[C@@H](C)C1CC1 379381977 346511083 /nfs/dbraw/zinc/51/10/83/346511083.db2.gz HSOLPXJYTGONHL-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=CCCC(=O)N(C)[C@H](C)C1CC1 379381974 346511184 /nfs/dbraw/zinc/51/11/84/346511184.db2.gz HSOLPXJYTGONHL-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCN(CC#N)Cc1cccs1 379382283 346511210 /nfs/dbraw/zinc/51/12/10/346511210.db2.gz DWAZUMUCHNQJNL-UHFFFAOYSA-N 0 0 192.287 2.260 10 30 AEEERN C=C(C)CSCc1nnc(CC)o1 379387625 346512924 /nfs/dbraw/zinc/51/29/24/346512924.db2.gz HVIMDQNLYDWECL-UHFFFAOYSA-N 0 0 198.291 2.441 10 30 AEEERN C=CCCCN(C)c1nnc(C)s1 379395484 346515952 /nfs/dbraw/zinc/51/59/52/346515952.db2.gz ZQXPMJAFQJLZMF-UHFFFAOYSA-N 0 0 197.307 2.249 10 30 AEEERN C=CCCOc1nc(C(C)C)no1 379398476 346516555 /nfs/dbraw/zinc/51/65/55/346516555.db2.gz FRUPFXZUMKMXOG-UHFFFAOYSA-N 0 0 182.223 2.148 10 30 AEEERN C=C(C)[C@H](CO)SCc1ccco1 379405050 346518933 /nfs/dbraw/zinc/51/89/33/346518933.db2.gz SKEAJLCWEDLBLJ-JTQLQIEISA-N 0 0 198.287 2.450 10 30 AEEERN C=CCSCc1nnc(C)n1CC 379405726 346519047 /nfs/dbraw/zinc/51/90/47/346519047.db2.gz USYRSNJUVVQZND-UHFFFAOYSA-N 0 0 197.307 2.026 10 30 AEEERN C=C(C)[C@@H](CO)SCc1ccco1 379405051 346519199 /nfs/dbraw/zinc/51/91/99/346519199.db2.gz SKEAJLCWEDLBLJ-SNVBAGLBSA-N 0 0 198.287 2.450 10 30 AEEERN C=CCCC(=O)N(C)CCC(C)C 379408179 346520059 /nfs/dbraw/zinc/52/00/59/346520059.db2.gz APSPUVJULIDZFA-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCN(C)C(=O)CC(C)C 379410003 346520778 /nfs/dbraw/zinc/52/07/78/346520778.db2.gz FETPVNYAKKHVRU-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCNC(=O)NC(C)(C)CCC 379413374 346521658 /nfs/dbraw/zinc/52/16/58/346521658.db2.gz LUHDRNQTKQYFTR-UHFFFAOYSA-N 0 0 184.283 2.050 10 30 AEEERN C=CCCCNc1ccc(C#N)nc1 379510731 346524210 /nfs/dbraw/zinc/52/42/10/346524210.db2.gz RKRDCFXFOYEVLF-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN C=CCCCNc1ncccc1C#N 381636016 346530198 /nfs/dbraw/zinc/53/01/98/346530198.db2.gz BTECGGWPTLFDDF-UHFFFAOYSA-N 0 0 187.246 2.331 10 30 AEEERN CC[C@H](C)NN=C1C[C@@H](C)[C@H]1C 382106185 346532175 /nfs/dbraw/zinc/53/21/75/346532175.db2.gz INCOSORVZMRILK-HRDYMLBCSA-N 0 0 168.284 2.406 10 30 AEEERN CC[C@H](C)NN=C1C[C@H](C)[C@@H]1C 382106183 346532181 /nfs/dbraw/zinc/53/21/81/346532181.db2.gz INCOSORVZMRILK-CIUDSAMLSA-N 0 0 168.284 2.406 10 30 AEEERN CC[C@H](C)NN=C1C[C@@H](C)[C@@H]1C 382106187 346532444 /nfs/dbraw/zinc/53/24/44/346532444.db2.gz INCOSORVZMRILK-VGMNWLOBSA-N 0 0 168.284 2.406 10 30 AEEERN CC[C@H](C)NN=C1C[C@H](C)[C@H]1C 382106189 346532550 /nfs/dbraw/zinc/53/25/50/346532550.db2.gz INCOSORVZMRILK-XHNCKOQMSA-N 0 0 168.284 2.406 10 30 AEEERN C[C@H]1CCC(=NN[C@@H](C)CC#N)C1 382385214 346534560 /nfs/dbraw/zinc/53/45/60/346534560.db2.gz KPAGKOCVCDLQAG-IUCAKERBSA-N 0 0 179.267 2.054 10 30 AEEERN C=CCOCCSCC1CC1 382346917 346534932 /nfs/dbraw/zinc/53/49/32/346534932.db2.gz FLXGAXCTCXHXON-UHFFFAOYSA-N 0 0 172.293 2.332 10 30 AEEERN C[C@H]1CCC(=NN[C@H](C)CC#N)C1 382385205 346534933 /nfs/dbraw/zinc/53/49/33/346534933.db2.gz KPAGKOCVCDLQAG-DTWKUNHWSA-N 0 0 179.267 2.054 10 30 AEEERN C[C@@H]1CCC(=NN[C@H](C)CC#N)C1 382385216 346534988 /nfs/dbraw/zinc/53/49/88/346534988.db2.gz KPAGKOCVCDLQAG-RKDXNWHRSA-N 0 0 179.267 2.054 10 30 AEEERN C[C@@H](CC#N)NN=C1CC[C@@H](C)C1 382385177 346535017 /nfs/dbraw/zinc/53/50/17/346535017.db2.gz KPAGKOCVCDLQAG-BDAKNGLRSA-N 0 0 179.267 2.054 10 30 AEEERN CC(COc1ccc(C)cc1)=NO 382630402 346535490 /nfs/dbraw/zinc/53/54/90/346535490.db2.gz ABTAWBJKKODWSR-UHFFFAOYSA-N 0 0 179.219 2.224 10 30 AEEERN C/C=C\CNC(=O)C(C#N)(CC)CC 385012376 346541568 /nfs/dbraw/zinc/54/15/68/346541568.db2.gz NMFCKUWDSGNQJW-DAXSKMNVSA-N 0 0 194.278 2.009 10 30 AEEERN C/C=C/CNC(=O)C(C#N)(CC)CC 385012378 346541643 /nfs/dbraw/zinc/54/16/43/346541643.db2.gz NMFCKUWDSGNQJW-QPJJXVBHSA-N 0 0 194.278 2.009 10 30 AEEERN C=C(C)CCNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 386786324 346545040 /nfs/dbraw/zinc/54/50/40/346545040.db2.gz NKVQFRGHAIKUGL-JGPRNRPPSA-N 0 0 193.290 2.115 10 30 AEEERN CO[C@H](C)CSCCCC#N 388115625 346546426 /nfs/dbraw/zinc/54/64/26/346546426.db2.gz GOQWUBHOYVZTQH-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN CO[C@@H](C)CSCCCC#N 388115642 346546554 /nfs/dbraw/zinc/54/65/54/346546554.db2.gz GOQWUBHOYVZTQH-QMMMGPOBSA-N 0 0 173.281 2.058 10 30 AEEERN C=CCN(CCC#N)C[C@H]1C[C@@H]1C 388330550 346550403 /nfs/dbraw/zinc/55/04/03/346550403.db2.gz DWHYAFWHQQEUPI-WDEREUQCSA-N 0 0 178.279 2.044 10 30 AEEERN C=CCN(CCC#N)C[C@H]1C[C@H]1C 388330547 346550427 /nfs/dbraw/zinc/55/04/27/346550427.db2.gz DWHYAFWHQQEUPI-GHMZBOCLSA-N 0 0 178.279 2.044 10 30 AEEERN C=CCN(CCC#N)C[C@@H]1C[C@@H]1C 388330549 346550441 /nfs/dbraw/zinc/55/04/41/346550441.db2.gz DWHYAFWHQQEUPI-QWRGUYRKSA-N 0 0 178.279 2.044 10 30 AEEERN C=CCN(CCC#N)C[C@@H]1C[C@H]1C 388330548 346550480 /nfs/dbraw/zinc/55/04/80/346550480.db2.gz DWHYAFWHQQEUPI-MNOVXSKESA-N 0 0 178.279 2.044 10 30 AEEERN C=CCSCc1cc(C)ncn1 388402777 346552935 /nfs/dbraw/zinc/55/29/35/346552935.db2.gz PMZBIIXPLHKSFE-UHFFFAOYSA-N 0 0 180.276 2.204 10 30 AEEERN C=C(C)CSCc1noc(C)n1 388418734 346553588 /nfs/dbraw/zinc/55/35/88/346553588.db2.gz GNRRMDSBUVYBBW-UHFFFAOYSA-N 0 0 184.264 2.187 10 30 AEEERN CC#CCCCC(=O)OC(C)C 388487541 346556505 /nfs/dbraw/zinc/55/65/05/346556505.db2.gz DEJMSFOAZWGSAN-UHFFFAOYSA-N 0 0 168.236 2.132 10 30 AEEERN C=CCSCC(=O)OC(C)(C)C 388491034 346557194 /nfs/dbraw/zinc/55/71/94/346557194.db2.gz HBYOMDLAFHAAKZ-UHFFFAOYSA-N 0 0 188.292 2.247 10 30 AEEERN C=CCSCC(C)(C)C(=O)OC 388519404 346558047 /nfs/dbraw/zinc/55/80/47/346558047.db2.gz WHDIPJLJDDQDAZ-UHFFFAOYSA-N 0 0 188.292 2.105 10 30 AEEERN C=CCSc1nncn1C(C)(C)C 388575266 346559022 /nfs/dbraw/zinc/55/90/22/346559022.db2.gz ARBBQGHMQDUNKY-UHFFFAOYSA-N 0 0 197.307 2.311 10 30 AEEERN C=CCCCN(C)C(=O)CC1CC1 388680254 346563989 /nfs/dbraw/zinc/56/39/89/346563989.db2.gz INHVUBAUKCYDBJ-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCN(C)C(=O)C1CCC1 388713876 346564794 /nfs/dbraw/zinc/56/47/94/346564794.db2.gz QELOXHRQTLQPJB-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCCCn1cc(C#N)cn1 388738761 346565646 /nfs/dbraw/zinc/56/56/46/346565646.db2.gz XIYVLBFYVHREBE-UHFFFAOYSA-N 0 0 175.235 2.111 10 30 AEEERN CC(C)CC[C@H]1CCCN1CC#N 388774998 346566062 /nfs/dbraw/zinc/56/60/62/346566062.db2.gz HTMSJAMSHGZEJK-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)CC[C@@H]1CCCN1CC#N 388775015 346566463 /nfs/dbraw/zinc/56/64/63/346566463.db2.gz HTMSJAMSHGZEJK-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN C=CCCCNC(=O)[C@](C)(C#N)CC 388975281 346569801 /nfs/dbraw/zinc/56/98/01/346569801.db2.gz LZCWZJHICBWLCO-NSHDSACASA-N 0 0 194.278 2.009 10 30 AEEERN C=CCCCNC(=O)[C@@](C)(C#N)CC 388975280 346569805 /nfs/dbraw/zinc/56/98/05/346569805.db2.gz LZCWZJHICBWLCO-LLVKDONJSA-N 0 0 194.278 2.009 10 30 AEEERN Cc1cc(CNC[C@@H](C)C#N)cs1 392803567 346573871 /nfs/dbraw/zinc/57/38/71/346573871.db2.gz VAMIJECIYIUMNB-QMMMGPOBSA-N 0 0 194.303 2.306 10 30 AEEERN Cc1cc(CNC[C@H](C)C#N)cs1 392803566 346574376 /nfs/dbraw/zinc/57/43/76/346574376.db2.gz VAMIJECIYIUMNB-MRVPVSSYSA-N 0 0 194.303 2.306 10 30 AEEERN CCN(C)N=C(C)c1ccsc1 393346168 346576108 /nfs/dbraw/zinc/57/61/08/346576108.db2.gz BOLGJGHIWLHKMB-UHFFFAOYSA-N 0 0 182.292 2.424 10 30 AEEERN C=CCCSCc1cnn(C)c1 393338928 346576360 /nfs/dbraw/zinc/57/63/60/346576360.db2.gz QQYDEDUVOQYUGY-UHFFFAOYSA-N 0 0 182.292 2.229 10 30 AEEERN CCON=C1CCC[C@H](C#N)C1 393446254 346577515 /nfs/dbraw/zinc/57/75/15/346577515.db2.gz ARBKOBCPMCUNDT-QMMMGPOBSA-N 0 0 166.224 2.093 10 30 AEEERN CCON=C1CCC[C@@H](C#N)C1 393446253 346577613 /nfs/dbraw/zinc/57/76/13/346577613.db2.gz ARBKOBCPMCUNDT-MRVPVSSYSA-N 0 0 166.224 2.093 10 30 AEEERN C=C(C)CSCc1ccn(C)n1 393376559 346577741 /nfs/dbraw/zinc/57/77/41/346577741.db2.gz WCOSRUVDWDYYAL-UHFFFAOYSA-N 0 0 182.292 2.229 10 30 AEEERN C=CCN(C)Cc1csc(CC)n1 393552216 346578758 /nfs/dbraw/zinc/57/87/58/346578758.db2.gz HSGYUFXRUXDXFX-UHFFFAOYSA-N 0 0 196.319 2.323 10 30 AEEERN C1CCN(N=C2CCCSC2)CC1 393572076 346579628 /nfs/dbraw/zinc/57/96/28/346579628.db2.gz SWJCOVQCPUFIBL-UHFFFAOYSA-N 0 0 198.335 2.355 10 30 AEEERN C=CCNCc1nc2ccccc2o1 393673045 346580476 /nfs/dbraw/zinc/58/04/76/346580476.db2.gz NRFVYUNCTBHIKO-UHFFFAOYSA-N 0 0 188.230 2.103 10 30 AEEERN C#CCON=C1CCC12CCCC2 393709105 346581999 /nfs/dbraw/zinc/58/19/99/346581999.db2.gz DLGOTXZSHZBYTF-UHFFFAOYSA-N 0 0 177.247 2.346 10 30 AEEERN CC(C)CCC(Cl)=NO 394040009 346583973 /nfs/dbraw/zinc/58/39/73/346583973.db2.gz XSNAWDCTCKMOHA-UHFFFAOYSA-N 0 0 149.621 2.449 10 30 AEEERN C[C@H]1CC(=NNCC(F)(F)F)[C@@H]1C 393974816 346584016 /nfs/dbraw/zinc/58/40/16/346584016.db2.gz UWJNSVGQLUBOSC-NTSWFWBYSA-N 0 0 194.200 2.170 10 30 AEEERN C[C@H]1CC(=NNCC(F)(F)F)[C@H]1C 393974819 346584260 /nfs/dbraw/zinc/58/42/60/346584260.db2.gz UWJNSVGQLUBOSC-WDSKDSINSA-N 0 0 194.200 2.170 10 30 AEEERN C[C@@H]1CC(=NNCC(F)(F)F)[C@@H]1C 393974817 346584304 /nfs/dbraw/zinc/58/43/04/346584304.db2.gz UWJNSVGQLUBOSC-PHDIDXHHSA-N 0 0 194.200 2.170 10 30 AEEERN C[C@@H]1C(=NNCC(F)(F)F)C[C@H]1C 393974818 346584335 /nfs/dbraw/zinc/58/43/35/346584335.db2.gz UWJNSVGQLUBOSC-RITPCOANSA-N 0 0 194.200 2.170 10 30 AEEERN CC#CCSCCCCOC 394318825 346584989 /nfs/dbraw/zinc/58/49/89/346584989.db2.gz CFIJCLGDTCKHDX-UHFFFAOYSA-N 0 0 172.293 2.170 10 30 AEEERN C=CC[C@H](CO)CC(F)(F)F 396887270 346591051 /nfs/dbraw/zinc/59/10/51/346591051.db2.gz MVTBZXYUONJMKG-LURJTMIESA-N 0 0 168.158 2.123 10 30 AEEERN C=CC[C@@H](CO)CC(F)(F)F 396887271 346591243 /nfs/dbraw/zinc/59/12/43/346591243.db2.gz MVTBZXYUONJMKG-ZCFIWIBFSA-N 0 0 168.158 2.123 10 30 AEEERN ON=Cc1cccc(OC2CC2)c1F 398296944 346595703 /nfs/dbraw/zinc/59/57/03/346595703.db2.gz KBYDIMMEHZNASO-UHFFFAOYSA-N 0 0 195.193 2.175 10 30 AEEERN CCN(CC#N)C(=O)[C@@H](C)C(C)(C)C 399051415 346597915 /nfs/dbraw/zinc/59/79/15/346597915.db2.gz IEKZJCMNIXLAPP-SECBINFHSA-N 0 0 196.294 2.041 10 30 AEEERN CCN(CC#N)C(=O)[C@H](C)C(C)(C)C 399051418 346598069 /nfs/dbraw/zinc/59/80/69/346598069.db2.gz IEKZJCMNIXLAPP-VIFPVBQESA-N 0 0 196.294 2.041 10 30 AEEERN C=C1CCN(c2ccncc2C#N)CC1 399416866 346598808 /nfs/dbraw/zinc/59/88/08/346598808.db2.gz DGIYNQVBQBFYDV-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C[C@@H](CN(C)C(=O)CC#N)C(C)(C)C 399636950 346599365 /nfs/dbraw/zinc/59/93/65/346599365.db2.gz XGGDRVVNURBKBT-VIFPVBQESA-N 0 0 196.294 2.041 10 30 AEEERN Cc1scc(CNCCC#N)c1C 399983542 346599535 /nfs/dbraw/zinc/59/95/35/346599535.db2.gz IMCMZVMADFGKOA-UHFFFAOYSA-N 0 0 194.303 2.368 10 30 AEEERN C[C@H](CN(C)C(=O)CC#N)C(C)(C)C 399636949 346599667 /nfs/dbraw/zinc/59/96/67/346599667.db2.gz XGGDRVVNURBKBT-SECBINFHSA-N 0 0 196.294 2.041 10 30 AEEERN CCN(CCC#N)CC1=CCCC1 401015630 346602110 /nfs/dbraw/zinc/60/21/10/346602110.db2.gz DHMDSVONKATFQX-UHFFFAOYSA-N 0 0 178.279 2.332 10 30 AEEERN c1cc(C[C@@H]2CO2)c2sncc2c1 402935631 346633276 /nfs/dbraw/zinc/63/32/76/346633276.db2.gz KJSQZFINYKQSOI-SECBINFHSA-N 0 0 191.255 2.238 10 30 AEEERN O=CCc1cccc2cnsc12 402946501 346633319 /nfs/dbraw/zinc/63/33/19/346633319.db2.gz NQBOOYZJDKIGCW-UHFFFAOYSA-N 0 0 177.228 2.038 10 30 AEEERN FC(F)(Cl)CCS 402931702 346633336 /nfs/dbraw/zinc/63/33/36/346633336.db2.gz KRGAIFNRBQIBLI-UHFFFAOYSA-N 0 0 146.589 2.138 10 30 AEEERN Fc1cccc(F)c1CCS 402957355 346633340 /nfs/dbraw/zinc/63/33/40/346633340.db2.gz SWGJBTKPVPKMMB-UHFFFAOYSA-N 0 0 174.215 2.437 10 30 AEEERN c1cc(C[C@H]2CO2)c2sncc2c1 402935634 346633531 /nfs/dbraw/zinc/63/35/31/346633531.db2.gz KJSQZFINYKQSOI-VIFPVBQESA-N 0 0 191.255 2.238 10 30 AEEERN CCN(CC#N)C[C@@H]1CC[C@H]2C[C@H]2C1 403229645 346634322 /nfs/dbraw/zinc/63/43/22/346634322.db2.gz YJEAMJDJMZCVAZ-GRYCIOLGSA-N 0 0 192.306 2.268 10 30 AEEERN CCN(CC#N)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403229647 346634414 /nfs/dbraw/zinc/63/44/14/346634414.db2.gz YJEAMJDJMZCVAZ-UTUOFQBUSA-N 0 0 192.306 2.268 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403317825 346634674 /nfs/dbraw/zinc/63/46/74/346634674.db2.gz GUYTUUSIBHQSMD-RGOKHQFPSA-N 0 0 177.247 2.151 10 30 AEEERN CC(C)S[C@H]1CCC[C@](N)(C#N)C1 403320426 346634645 /nfs/dbraw/zinc/63/46/45/346634645.db2.gz JXMOTTHJEATZRO-VHSXEESVSA-N 0 0 198.335 2.292 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403317827 346634725 /nfs/dbraw/zinc/63/47/25/346634725.db2.gz GUYTUUSIBHQSMD-ZYUZMQFOSA-N 0 0 177.247 2.151 10 30 AEEERN CC(C)S[C@@H]1CCC[C@](N)(C#N)C1 403320424 346634791 /nfs/dbraw/zinc/63/47/91/346634791.db2.gz JXMOTTHJEATZRO-NXEZZACHSA-N 0 0 198.335 2.292 10 30 AEEERN CC(C)S[C@@H]1CCC[C@@](N)(C#N)C1 403320427 346634813 /nfs/dbraw/zinc/63/48/13/346634813.db2.gz JXMOTTHJEATZRO-ZJUUUORDSA-N 0 0 198.335 2.292 10 30 AEEERN CC(C)S[C@H]1CCC[C@@](N)(C#N)C1 403320425 346634825 /nfs/dbraw/zinc/63/48/25/346634825.db2.gz JXMOTTHJEATZRO-UWVGGRQHSA-N 0 0 198.335 2.292 10 30 AEEERN C=CCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403399272 346635849 /nfs/dbraw/zinc/63/58/49/346635849.db2.gz UFMINEHETWCEOI-AXFHLTTASA-N 0 0 193.290 2.115 10 30 AEEERN SC1C[C@@H]2CC[C@H](C1)S2 403671432 346638227 /nfs/dbraw/zinc/63/82/27/346638227.db2.gz DZMMQRNGOCARPQ-DGUCWDHESA-N 0 0 160.307 2.343 10 30 AEEERN C#CCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403737563 346638495 /nfs/dbraw/zinc/63/84/95/346638495.db2.gz LRQHSEQYGRBXHO-OPRDCNLKSA-N 0 0 162.232 2.015 10 30 AEEERN C#CCC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403737558 346638549 /nfs/dbraw/zinc/63/85/49/346638549.db2.gz LRQHSEQYGRBXHO-AEJSXWLSSA-N 0 0 162.232 2.015 10 30 AEEERN C=CC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403742416 346638596 /nfs/dbraw/zinc/63/85/96/346638596.db2.gz MQVJFTHYZKVFKR-IWSPIJDZSA-N 0 0 150.221 2.178 10 30 AEEERN C=CC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403742417 346638677 /nfs/dbraw/zinc/63/86/77/346638677.db2.gz MQVJFTHYZKVFKR-YIZRAAEISA-N 0 0 150.221 2.178 10 30 AEEERN CC#CCC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403778618 346638964 /nfs/dbraw/zinc/63/89/64/346638964.db2.gz XBHZUVFRAXPNSF-AXFHLTTASA-N 0 0 176.259 2.405 10 30 AEEERN CC#CCC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403778619 346639017 /nfs/dbraw/zinc/63/90/17/346639017.db2.gz XBHZUVFRAXPNSF-GMTAPVOTSA-N 0 0 176.259 2.405 10 30 AEEERN CC(=O)/C=C/c1ccc(O)cc1F 404004788 346639482 /nfs/dbraw/zinc/63/94/82/346639482.db2.gz OAAINRBSUUSHCM-NSCUHMNNSA-N 0 0 180.178 2.134 10 30 AEEERN CC(=O)/C(C)=C/c1ccns1 404439935 346642360 /nfs/dbraw/zinc/64/23/60/346642360.db2.gz GEWTXQWSMBUVFV-AATRIKPKSA-N 0 0 167.233 2.135 10 30 AEEERN CC(=O)/C(C)=C\c1ccns1 404439936 346642542 /nfs/dbraw/zinc/64/25/42/346642542.db2.gz GEWTXQWSMBUVFV-WAYWQWQTSA-N 0 0 167.233 2.135 10 30 AEEERN O=C1C=C(N2CCC=C(Cl)C2)CC1 404461309 346643645 /nfs/dbraw/zinc/64/36/45/346643645.db2.gz INGYISVGKXRLNY-UHFFFAOYSA-N 0 0 197.665 2.062 10 30 AEEERN CC(=O)/C(C)=C\c1cc(C)ns1 404478262 346644854 /nfs/dbraw/zinc/64/48/54/346644854.db2.gz ULDHQLBILQZIFF-XQRVVYSFSA-N 0 0 181.260 2.444 10 30 AEEERN CC(=O)/C=C/c1cc(C)ns1 404477121 346644891 /nfs/dbraw/zinc/64/48/91/346644891.db2.gz SKZOTWZIFNARHL-ONEGZZNKSA-N 0 0 167.233 2.054 10 30 AEEERN O=C(C1=CCCC1)c1cnsc1 404584825 346647075 /nfs/dbraw/zinc/64/70/75/346647075.db2.gz BSIAXBFLICIVGE-UHFFFAOYSA-N 0 0 179.244 2.436 10 30 AEEERN CN[C@@H](C#N)c1ccc(C)cc1Cl 404585301 346647229 /nfs/dbraw/zinc/64/72/29/346647229.db2.gz UBLYRUKPFZOWER-JTQLQIEISA-N 0 0 194.665 2.433 10 30 AEEERN CN[C@H](C#N)c1ccc(C)cc1Cl 404585302 346647249 /nfs/dbraw/zinc/64/72/49/346647249.db2.gz UBLYRUKPFZOWER-SNVBAGLBSA-N 0 0 194.665 2.433 10 30 AEEERN O=C1CCCC=C1c1cnsc1 404710551 346649876 /nfs/dbraw/zinc/64/98/76/346649876.db2.gz DFPIUNOLAOHDHH-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN O=C1C=C(c2cnsc2)CCC1 404707005 346650007 /nfs/dbraw/zinc/65/00/07/346650007.db2.gz BGBBHBGIUPHVRK-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN CC/C=C/C(=O)c1cnsc1 404782049 346650999 /nfs/dbraw/zinc/65/09/99/346650999.db2.gz GWGXBLJQLBSIHV-ONEGZZNKSA-N 0 0 167.233 2.292 10 30 AEEERN CC(C)=CC(=O)c1cnsc1 404812601 346651935 /nfs/dbraw/zinc/65/19/35/346651935.db2.gz ZHUUXWOUUBRAGB-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN C=C(C)CN1Cc2cccc(C#N)c2C1 405048496 346656597 /nfs/dbraw/zinc/65/65/97/346656597.db2.gz IHFXJJYNVLPZEH-UHFFFAOYSA-N 0 0 198.269 2.450 10 30 AEEERN C=CCCN1Cc2cccc(C#N)c2C1 405067945 346656677 /nfs/dbraw/zinc/65/66/77/346656677.db2.gz ZAJWTCCIHSIVKC-UHFFFAOYSA-N 0 0 198.269 2.450 10 30 AEEERN N#Cc1cccc2c1CN(CC1CC1)C2 405062258 346656700 /nfs/dbraw/zinc/65/67/00/346656700.db2.gz SBODFZFIZYDQRW-UHFFFAOYSA-N 0 0 198.269 2.284 10 30 AEEERN CC(C)(C)C#CCC(=O)C1CSC1 405106710 346657566 /nfs/dbraw/zinc/65/75/66/346657566.db2.gz ZBEFDKUFQGOBRV-UHFFFAOYSA-N 0 0 196.315 2.358 10 30 AEEERN C=CCN1Cc2cccc(C#N)c2C1 405121994 346658263 /nfs/dbraw/zinc/65/82/63/346658263.db2.gz LBALLKSPHQGUPQ-UHFFFAOYSA-N 0 0 184.242 2.060 10 30 AEEERN O=CC1([C@H]2CCSC2)CCC1 405236352 346660330 /nfs/dbraw/zinc/66/03/30/346660330.db2.gz DUEZTKUEXJXOPO-QMMMGPOBSA-N 0 0 170.277 2.109 10 30 AEEERN O=CC1([C@H]2CCSC2)CCCC1 405238400 346660821 /nfs/dbraw/zinc/66/08/21/346660821.db2.gz GGSWZRZAECDSPD-VIFPVBQESA-N 0 0 184.304 2.499 10 30 AEEERN CC[C@@](C)(C=O)[C@@H]1CCSC1 405239683 346660864 /nfs/dbraw/zinc/66/08/64/346660864.db2.gz GWIMQWAFRIFYBW-BDAKNGLRSA-N 0 0 172.293 2.355 10 30 AEEERN CC[C@](C)(C=O)[C@H]1CCSC1 405239684 346660875 /nfs/dbraw/zinc/66/08/75/346660875.db2.gz GWIMQWAFRIFYBW-DTWKUNHWSA-N 0 0 172.293 2.355 10 30 AEEERN O=CC1([C@@H]2CCSC2)CCCC1 405238396 346660907 /nfs/dbraw/zinc/66/09/07/346660907.db2.gz GGSWZRZAECDSPD-SECBINFHSA-N 0 0 184.304 2.499 10 30 AEEERN CC[C@](C)(C=O)[C@@H]1CCSC1 405239686 346661133 /nfs/dbraw/zinc/66/11/33/346661133.db2.gz GWIMQWAFRIFYBW-RKDXNWHRSA-N 0 0 172.293 2.355 10 30 AEEERN N#CC1(CS)CCCC1 405293246 346662706 /nfs/dbraw/zinc/66/27/06/346662706.db2.gz JCCCHLXVDCHXJX-UHFFFAOYSA-N 0 0 141.239 2.000 10 30 AEEERN N#C[C@]1([C@@H]2CCSC2)CCCC1=O 405422797 346665923 /nfs/dbraw/zinc/66/59/23/346665923.db2.gz QDCKLXDBXUKKDV-SCZZXKLOSA-N 0 0 195.287 2.002 10 30 AEEERN N#C[C@@]1([C@H]2CCSC2)CCCC1=O 405422804 346665999 /nfs/dbraw/zinc/66/59/99/346665999.db2.gz QDCKLXDBXUKKDV-WCBMZHEXSA-N 0 0 195.287 2.002 10 30 AEEERN N#C[C@]1([C@H]2CCSC2)CCCC1=O 405422809 346666114 /nfs/dbraw/zinc/66/61/14/346666114.db2.gz QDCKLXDBXUKKDV-WPRPVWTQSA-N 0 0 195.287 2.002 10 30 AEEERN N#C[C@@]1([C@@H]2CCSC2)CCCC1=O 405422789 346666236 /nfs/dbraw/zinc/66/62/36/346666236.db2.gz QDCKLXDBXUKKDV-PSASIEDQSA-N 0 0 195.287 2.002 10 30 AEEERN C#CC(=O)CC(C)(C)C1CC1 405852388 346676569 /nfs/dbraw/zinc/67/65/69/346676569.db2.gz YQIOXSRJUWXOTH-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN CN(CC#N)CCC(C)(C)C1CC1 406031328 346677511 /nfs/dbraw/zinc/67/75/11/346677511.db2.gz KOWSLRXAKGBOGP-UHFFFAOYSA-N 0 0 180.295 2.268 10 30 AEEERN C=CCN(CC=C)c1ccnc(F)c1 409430750 346690819 /nfs/dbraw/zinc/69/08/19/346690819.db2.gz WPPUVNUFYBIULF-UHFFFAOYSA-N 0 0 192.237 2.399 10 30 AEEERN C=CC1(C(OCC)OCC)CC1 409431967 346693039 /nfs/dbraw/zinc/69/30/39/346693039.db2.gz MWGUCYXHWDUHTL-UHFFFAOYSA-N 0 0 170.252 2.352 10 30 AEEERN C=CCCc1cc(=O)[nH]c(C2CC2)n1 409431989 346693460 /nfs/dbraw/zinc/69/34/60/346693460.db2.gz SHLYJZQZBFQZSW-UHFFFAOYSA-N 0 0 190.246 2.178 10 30 AEEERN C=CC1(CNC(=O)OC(C)(C)C)CC1 409432412 346694114 /nfs/dbraw/zinc/69/41/14/346694114.db2.gz NVFMOXBHYQYOOZ-UHFFFAOYSA-N 0 0 197.278 2.477 10 30 AEEERN O=Cc1ccc(C#CC2CC2)cc1 409433783 346696426 /nfs/dbraw/zinc/69/64/26/346696426.db2.gz SWAKBFQSENFDMR-UHFFFAOYSA-N 0 0 170.211 2.261 10 30 AEEERN Cc1cccc(-c2cc(C#N)ncn2)c1 409436546 346699884 /nfs/dbraw/zinc/69/98/84/346699884.db2.gz HLGFYWUJHCDRCP-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CCC(CC)c1cc(C#N)ncn1 409436551 346699938 /nfs/dbraw/zinc/69/99/38/346699938.db2.gz HULZFAZRZOMOME-UHFFFAOYSA-N 0 0 175.235 2.252 10 30 AEEERN N#Cc1cc(-c2ccsc2)ncn1 409436482 346699967 /nfs/dbraw/zinc/69/99/67/346699967.db2.gz AKFFIUALCMUNAO-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1ccccc1-c1cc(C#N)ncn1 409436582 346700017 /nfs/dbraw/zinc/70/00/17/346700017.db2.gz KWAQNVIBKKHOKT-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1cc(-c2cccs2)ncn1 409436684 346700035 /nfs/dbraw/zinc/70/00/35/346700035.db2.gz UXQPVMUCWZPKJD-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#Cc1cc(-c2ccccc2F)ncn1 409436525 346700066 /nfs/dbraw/zinc/70/00/66/346700066.db2.gz FECYFGMPIQOVJO-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CCCc1cc(C#N)nc(C2CC2)n1 409437000 346700618 /nfs/dbraw/zinc/70/06/18/346700618.db2.gz AWWKVPOLWVFCRT-UHFFFAOYSA-N 0 0 187.246 2.178 10 30 AEEERN Cc1ccc(-c2cc(C#N)ncn2)cc1 409436738 346700633 /nfs/dbraw/zinc/70/06/33/346700633.db2.gz ZATNAHAMQZMORD-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN Cc1nc(C#N)cc(CC(C)(C)C)n1 409437042 346700672 /nfs/dbraw/zinc/70/06/72/346700672.db2.gz BVDMTBKUMZHZFD-UHFFFAOYSA-N 0 0 189.262 2.245 10 30 AEEERN Cc1[nH]nc(C2CCC2)c1CCC#N 409437845 346701820 /nfs/dbraw/zinc/70/18/20/346701820.db2.gz ANTYGQOZTKLCDB-UHFFFAOYSA-N 0 0 189.262 2.442 10 30 AEEERN C#CCn1cc(-c2cccs2)cn1 409438078 346701825 /nfs/dbraw/zinc/70/18/25/346701825.db2.gz JXXLSDVGUHFERQ-UHFFFAOYSA-N 0 0 188.255 2.245 10 30 AEEERN Cn1cc(C#N)c(-c2ccsc2)n1 409438181 346701986 /nfs/dbraw/zinc/70/19/86/346701986.db2.gz KLJFYWBHNYZFSW-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN C#CCn1ccn2nc(C3CCC3)cc12 409438800 346702361 /nfs/dbraw/zinc/70/23/61/346702361.db2.gz OXSQOLVCSURZJI-UHFFFAOYSA-N 0 0 199.257 2.037 10 30 AEEERN C#CCn1nc(C2CC2)cc1C1CC1 409438342 346702519 /nfs/dbraw/zinc/70/25/19/346702519.db2.gz CXAYGHJIKLFAHT-UHFFFAOYSA-N 0 0 186.258 2.271 10 30 AEEERN Cc1[nH]nc(-c2cccs2)c1C#N 409438709 346702561 /nfs/dbraw/zinc/70/25/61/346702561.db2.gz FHCATFZHEPYKOP-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN N#Cc1cc(CC2CC2)nc(C2CC2)n1 409438460 346702629 /nfs/dbraw/zinc/70/26/29/346702629.db2.gz MYBOKFMHTXMFFH-UHFFFAOYSA-N 0 0 199.257 2.178 10 30 AEEERN C#CCn1cc(-c2ccsc2)cn1 409438485 346702640 /nfs/dbraw/zinc/70/26/40/346702640.db2.gz LODWYJXTTYHSJB-UHFFFAOYSA-N 0 0 188.255 2.245 10 30 AEEERN CCc1n[nH]c(CC(C)C)c1C#N 409439285 346703140 /nfs/dbraw/zinc/70/31/40/346703140.db2.gz HUSGLXKRYXSPHZ-UHFFFAOYSA-N 0 0 177.251 2.042 10 30 AEEERN Cc1[nH]nc(C(C)C)c1CCC#N 409439195 346703264 /nfs/dbraw/zinc/70/32/64/346703264.db2.gz HNIKYRAXHYTPDZ-UHFFFAOYSA-N 0 0 177.251 2.298 10 30 AEEERN N#Cc1cc(C(F)F)nc(C2CC2)n1 409439117 346703364 /nfs/dbraw/zinc/70/33/64/346703364.db2.gz PTMGRPKEEQBXJA-UHFFFAOYSA-N 0 0 195.172 2.163 10 30 AEEERN CCc1[nH]nc(C2CCC2)c1C#N 409439456 346703823 /nfs/dbraw/zinc/70/38/23/346703823.db2.gz HYJVHXHQOAFCND-UHFFFAOYSA-N 0 0 175.235 2.111 10 30 AEEERN Cc1[nH]nc(CC(C)C)c1CCC#N 409439857 346704051 /nfs/dbraw/zinc/70/40/51/346704051.db2.gz JXTSQAWULUZQSB-UHFFFAOYSA-N 0 0 191.278 2.373 10 30 AEEERN N#Cc1c(-c2ccoc2)n[nH]c1C1CC1 409439916 346704309 /nfs/dbraw/zinc/70/43/09/346704309.db2.gz KVNBSSLUWRLGJJ-UHFFFAOYSA-N 0 0 199.213 2.419 10 30 AEEERN N#Cc1c(C2CC2)n[nH]c1C1CC1 409440311 346704496 /nfs/dbraw/zinc/70/44/96/346704496.db2.gz MHLYWGRHERCORL-UHFFFAOYSA-N 0 0 173.219 2.036 10 30 AEEERN CC[C@H](C)c1cc(C#N)nc(C)n1 409440167 346704642 /nfs/dbraw/zinc/70/46/42/346704642.db2.gz WBXMRUFHDJSSRN-ZETCQYMHSA-N 0 0 175.235 2.170 10 30 AEEERN CC[C@@H](C)c1cc(C#N)nc(C)n1 409440156 346704687 /nfs/dbraw/zinc/70/46/87/346704687.db2.gz WBXMRUFHDJSSRN-SSDOTTSWSA-N 0 0 175.235 2.170 10 30 AEEERN N#Cc1c(-c2ccco2)n[nH]c1C1CC1 409440285 346704720 /nfs/dbraw/zinc/70/47/20/346704720.db2.gz LZWHBXFPJNTFOF-UHFFFAOYSA-N 0 0 199.213 2.419 10 30 AEEERN Cc1[nH]nc(C2CCCC2)c1C#N 409440685 346705057 /nfs/dbraw/zinc/70/50/57/346705057.db2.gz NVOHETQAOJXRIK-UHFFFAOYSA-N 0 0 175.235 2.247 10 30 AEEERN N#Cc1cc(C2CCC2)nc(C2CC2)n1 409440648 346705221 /nfs/dbraw/zinc/70/52/21/346705221.db2.gz YERCNXDKDBICIG-UHFFFAOYSA-N 0 0 199.257 2.493 10 30 AEEERN CC(C)Cc1[nH]nc(C2CC2)c1C#N 409441237 346705776 /nfs/dbraw/zinc/70/57/76/346705776.db2.gz QIICWEOAXUOVDG-UHFFFAOYSA-N 0 0 189.262 2.357 10 30 AEEERN CC(C)c1n[nH]c(C2CC2)c1C#N 409441062 346705860 /nfs/dbraw/zinc/70/58/60/346705860.db2.gz PSLXUXHGBRGKPC-UHFFFAOYSA-N 0 0 175.235 2.282 10 30 AEEERN N#Cc1c(C2CCC2)n[nH]c1C1CC1 409441054 346705999 /nfs/dbraw/zinc/70/59/99/346705999.db2.gz PQKFYUDUTYUPLS-UHFFFAOYSA-N 0 0 187.246 2.426 10 30 AEEERN N#CCn1nc(C2CC2)cc1C1CC1 409441332 346706042 /nfs/dbraw/zinc/70/60/42/346706042.db2.gz RCVBWMTUSTZXQH-UHFFFAOYSA-N 0 0 187.246 2.161 10 30 AEEERN N#CCc1c[nH]nc1-c1ccsc1 409441400 346706112 /nfs/dbraw/zinc/70/61/12/346706112.db2.gz XLWYDDMMFCEZCQ-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN CCc1[nH]nc(C2CC2)c1CCC#N 409440999 346706157 /nfs/dbraw/zinc/70/61/57/346706157.db2.gz PABVQDKYEUNZRT-UHFFFAOYSA-N 0 0 189.262 2.306 10 30 AEEERN Cc1[nH]nc(-c2ccsc2)c1C#N 409441727 346706592 /nfs/dbraw/zinc/70/65/92/346706592.db2.gz SXJSMQCIPCPGLM-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN N#CCn1cc(-c2cccs2)cn1 409441665 346706788 /nfs/dbraw/zinc/70/67/88/346706788.db2.gz ZFSSBNSQDXHFJS-UHFFFAOYSA-N 0 0 189.243 2.135 10 30 AEEERN N#CCn1cc(-c2ccsc2)cn1 409441489 346706840 /nfs/dbraw/zinc/70/68/40/346706840.db2.gz YMVVXVJIWBRBNR-UHFFFAOYSA-N 0 0 189.243 2.135 10 30 AEEERN CCn1cc(C#N)c(-c2ccccc2)n1 409441695 346706866 /nfs/dbraw/zinc/70/68/66/346706866.db2.gz ZLMUABLLOXTGDL-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN N#CCCc1c[nH]nc1-c1ccco1 409441941 346706932 /nfs/dbraw/zinc/70/69/32/346706932.db2.gz VJERIVKXXXVWKU-UHFFFAOYSA-N 0 0 187.202 2.126 10 30 AEEERN Cc1[nH]nc(C2CC2)c1CCC#N 409441867 346707055 /nfs/dbraw/zinc/70/70/55/346707055.db2.gz UGZDRNKEDVQKNI-UHFFFAOYSA-N 0 0 175.235 2.052 10 30 AEEERN CCc1[nH]nc(-c2ccoc2)c1C#N 409442200 346707475 /nfs/dbraw/zinc/70/74/75/346707475.db2.gz XMWZSLJDVHBEFY-UHFFFAOYSA-N 0 0 187.202 2.104 10 30 AEEERN CCc1[nH]nc(-c2ccco2)c1C#N 409442417 346707493 /nfs/dbraw/zinc/70/74/93/346707493.db2.gz ZSCBKYQZCLXFOT-UHFFFAOYSA-N 0 0 187.202 2.104 10 30 AEEERN N#Cc1cc(-c2ccsc2)n[nH]1 409442997 346708239 /nfs/dbraw/zinc/70/82/39/346708239.db2.gz FGUIZJRBLGTKPE-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN CCn1nc(-c2ccccc2)cc1C#N 409443019 346708253 /nfs/dbraw/zinc/70/82/53/346708253.db2.gz FPQCLLFEJJRNHX-UHFFFAOYSA-N 0 0 197.241 2.442 10 30 AEEERN Cn1nc(-c2cccs2)cc1C#N 409443211 346708326 /nfs/dbraw/zinc/70/83/26/346708326.db2.gz IZMYQIIKQRLKHU-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN N#CCc1cc(-c2ccsc2)n[nH]1 409442856 346708336 /nfs/dbraw/zinc/70/83/36/346708336.db2.gz CCLQIIKPNOUJSQ-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN Cn1nc(-c2ccsc2)cc1C#N 409442902 346708403 /nfs/dbraw/zinc/70/84/03/346708403.db2.gz CVFFZMYVCQETKY-UHFFFAOYSA-N 0 0 189.243 2.020 10 30 AEEERN N#Cc1ccccc1-c1ncc(F)cn1 498035718 346708969 /nfs/dbraw/zinc/70/89/69/346708969.db2.gz DTSXIICPMIVSLW-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN Cn1nc(-c2ccccc2)cc1CC#N 409443981 346709068 /nfs/dbraw/zinc/70/90/68/346709068.db2.gz XTHPGNDTSQRHPA-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN C#CCc1cccc2cccnc12 498035863 346709104 /nfs/dbraw/zinc/70/91/04/346709104.db2.gz OTIOLUNXYCVRMB-UHFFFAOYSA-N 0 0 167.211 2.411 10 30 AEEERN C=CCOc1ccccc1F 575154757 346713684 /nfs/dbraw/zinc/71/36/84/346713684.db2.gz JDYFEHQYYJQGEY-UHFFFAOYSA-N 0 0 151.160 2.299 10 30 AEEERN C=CCOc1cccc(C)c1 575154753 346713616 /nfs/dbraw/zinc/71/36/16/346713616.db2.gz IZISPASBFKEULT-UHFFFAOYSA-N 0 0 147.197 2.392 10 30 AEEERN C=CCCOCc1ccccc1 575154928 346713932 /nfs/dbraw/zinc/71/39/32/346713932.db2.gz LIYRDRDSJPDKRF-UHFFFAOYSA-N 0 0 161.224 2.435 10 30 AEEERN C=CCOc1ccccc1 575154923 346714075 /nfs/dbraw/zinc/71/40/75/346714075.db2.gz ZYTLFYXSYAEXRZ-UHFFFAOYSA-N 0 0 133.170 2.002 10 30 AEEERN C=CCOCc1ccccc1 575154931 346714591 /nfs/dbraw/zinc/71/45/91/346714591.db2.gz WTDPSKPUIUUHEK-UHFFFAOYSA-N 0 0 147.197 2.045 10 30 AEEERN CC(C)(C=O)C[C@H]1CCCOC1 575623523 346718239 /nfs/dbraw/zinc/71/82/39/346718239.db2.gz WWWIULOYSVXQDP-SECBINFHSA-N 0 0 170.252 2.028 10 30 AEEERN CC(C)(C=O)C[C@@H]1CCCOC1 575623524 346718276 /nfs/dbraw/zinc/71/82/76/346718276.db2.gz WWWIULOYSVXQDP-VIFPVBQESA-N 0 0 170.252 2.028 10 30 AEEERN Cc1noc(C)c1CC(C)(C)C=O 575623540 346718355 /nfs/dbraw/zinc/71/83/55/346718355.db2.gz YQTZAODFQINWDH-UHFFFAOYSA-N 0 0 181.235 2.059 10 30 AEEERN C=CCOC(=O)C1=C(O)CCCC1 584591481 346718873 /nfs/dbraw/zinc/71/88/73/346718873.db2.gz JCLDJWUIMFCNAY-UHFFFAOYSA-N 0 0 182.219 2.102 10 30 AEEERN C#Cc1ccccc1NC(C)C 584592536 346719254 /nfs/dbraw/zinc/71/92/54/346719254.db2.gz JZLYVRXZGCWQJH-UHFFFAOYSA-N 0 0 159.232 2.488 10 30 AEEERN C=CCc1ccc([N+](=O)[O-])cc1F 584593318 346719324 /nfs/dbraw/zinc/71/93/24/346719324.db2.gz FOOMFHJLIFUIGG-UHFFFAOYSA-N 0 0 181.166 2.462 10 30 AEEERN C=C(c1ccccc1)[C@@H]1CCOC1=O 584591732 346719451 /nfs/dbraw/zinc/71/94/51/346719451.db2.gz XCJAQOZEEYLCHU-NSHDSACASA-N 0 0 188.226 2.263 10 30 AEEERN C=CCc1ccc([N+](=O)[O-])cc1OC 584593312 346719523 /nfs/dbraw/zinc/71/95/23/346719523.db2.gz FJDRAIGJSJNKGW-UHFFFAOYSA-N 0 0 193.202 2.332 10 30 AEEERN C=CCOc1cc(F)cc(F)c1N 584591875 346719550 /nfs/dbraw/zinc/71/95/50/346719550.db2.gz CUIPHTFROPWSTM-UHFFFAOYSA-N 0 0 185.173 2.112 10 30 AEEERN C=C(c1ccccc1)[C@H]1CCOC1=O 584591731 346719563 /nfs/dbraw/zinc/71/95/63/346719563.db2.gz XCJAQOZEEYLCHU-LLVKDONJSA-N 0 0 188.226 2.263 10 30 AEEERN C#C[C@](CCC)(OC)C1(C#N)CCC1 584600168 346719706 /nfs/dbraw/zinc/71/97/06/346719706.db2.gz AFMRKDFNPWVZNH-GFCCVEGCSA-N 0 0 191.274 2.499 10 30 AEEERN CC(C)c1cc(C#N)ccc1CO 584599233 346719781 /nfs/dbraw/zinc/71/97/81/346719781.db2.gz ZBIKPWDANKITND-UHFFFAOYSA-N 0 0 175.231 2.174 10 30 AEEERN C=CCCOC(=O)Cc1ccccc1 584600072 346719812 /nfs/dbraw/zinc/71/98/12/346719812.db2.gz JRPSCLNRPYCNNZ-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN COCc1c(C#N)ccc(OC)c1C 584599581 346719818 /nfs/dbraw/zinc/71/98/18/346719818.db2.gz IMBYNEXAMVOOGL-UHFFFAOYSA-N 0 0 191.230 2.022 10 30 AEEERN C#C[C@@](CCC)(OC)C1(C#N)CCC1 584600171 346719863 /nfs/dbraw/zinc/71/98/63/346719863.db2.gz AFMRKDFNPWVZNH-LBPRGKRZSA-N 0 0 191.274 2.499 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)C1CCC1 584600491 346720264 /nfs/dbraw/zinc/72/02/64/346720264.db2.gz NSCVANJDQMJOIG-PSASIEDQSA-N 0 0 154.253 2.360 10 30 AEEERN CC(C)(C)[C@H]1C[C@H](C=O)C1 584600637 346720283 /nfs/dbraw/zinc/72/02/83/346720283.db2.gz UXRISOWAQODXNN-ZKCHVHJHSA-N 0 0 140.226 2.258 10 30 AEEERN C=CC[C@H](C)[C@H](O)C1CCC1 584600498 346720355 /nfs/dbraw/zinc/72/03/55/346720355.db2.gz NSCVANJDQMJOIG-WPRPVWTQSA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@](O)(C(C)(C)C)C1(C#N)CCC1 584600221 346720386 /nfs/dbraw/zinc/72/03/86/346720386.db2.gz CIQDRLOPRJPKNJ-LBPRGKRZSA-N 0 0 191.274 2.091 10 30 AEEERN C#C[C@](OC)(C1CC1)C1(C#N)CCC1 584600259 346720469 /nfs/dbraw/zinc/72/04/69/346720469.db2.gz FEVKKHALTGTFCH-LBPRGKRZSA-N 0 0 189.258 2.109 10 30 AEEERN C=CC[C@H](C)[C@@H](O)C1CCC1 584600497 346720480 /nfs/dbraw/zinc/72/04/80/346720480.db2.gz NSCVANJDQMJOIG-WCBMZHEXSA-N 0 0 154.253 2.360 10 30 AEEERN C=CC[C@@H](C)[C@H](O)C1CCC1 584600495 346720487 /nfs/dbraw/zinc/72/04/87/346720487.db2.gz NSCVANJDQMJOIG-SCZZXKLOSA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@@](O)(C(C)(C)C)C1(C#N)CCC1 584600217 346720523 /nfs/dbraw/zinc/72/05/23/346720523.db2.gz CIQDRLOPRJPKNJ-GFCCVEGCSA-N 0 0 191.274 2.091 10 30 AEEERN C#C[C@@](OC)(C1CC1)C1(C#N)CCC1 584600255 346720548 /nfs/dbraw/zinc/72/05/48/346720548.db2.gz FEVKKHALTGTFCH-GFCCVEGCSA-N 0 0 189.258 2.109 10 30 AEEERN C#C[C@]1(O)c2ccccc2[C@H]2CCC[C@H]21 584601332 346720926 /nfs/dbraw/zinc/72/09/26/346720926.db2.gz CVKSBQAUWKKEHS-BNOWGMLFSA-N 0 0 198.265 2.405 10 30 AEEERN C#C[C@]1(O)c2ccccc2[C@@H]2CCC[C@@H]21 584601333 346720955 /nfs/dbraw/zinc/72/09/55/346720955.db2.gz CVKSBQAUWKKEHS-UBHSHLNASA-N 0 0 198.265 2.405 10 30 AEEERN C#C[C@]1(O)c2ccccc2[C@H]2CCC[C@@H]21 584601334 346721040 /nfs/dbraw/zinc/72/10/40/346721040.db2.gz CVKSBQAUWKKEHS-XBFCOCLRSA-N 0 0 198.265 2.405 10 30 AEEERN CC(=O)SCC1CC(C)(C#N)C1 584601923 346721096 /nfs/dbraw/zinc/72/10/96/346721096.db2.gz SIMLJQSYWZDIKR-UHFFFAOYSA-N 0 0 183.276 2.206 10 30 AEEERN C#C[C@]1(O)c2ccccc2[C@@H]2CCC[C@H]21 584601335 346721140 /nfs/dbraw/zinc/72/11/40/346721140.db2.gz CVKSBQAUWKKEHS-YUTCNCBUSA-N 0 0 198.265 2.405 10 30 AEEERN CC(=O)SCC1(C)CC(C#N)C1 584601867 346721177 /nfs/dbraw/zinc/72/11/77/346721177.db2.gz QEZKSNLNRMNQFW-UHFFFAOYSA-N 0 0 183.276 2.206 10 30 AEEERN CCCC#CCOC(=O)C(C)(C)C 584604969 346722172 /nfs/dbraw/zinc/72/21/72/346722172.db2.gz SAKWBFLSNGVZBE-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C#C[Si](C)(C)C#C[Si](C)(C)C=C 584604104 346722195 /nfs/dbraw/zinc/72/21/95/346722195.db2.gz NICKFCRDIOQZJN-UHFFFAOYSA-N 0 0 192.410 2.383 10 30 AEEERN CCC#CC[C@@H]1C[C@H]1C(C)=O 584603575 346722270 /nfs/dbraw/zinc/72/22/70/346722270.db2.gz GVHYGPPCHXHLES-ZJUUUORDSA-N 0 0 150.221 2.015 10 30 AEEERN C=CC[C@H](C(C)=O)C(=S)SC 584606716 346722514 /nfs/dbraw/zinc/72/25/14/346722514.db2.gz KAVCPMBWPVCQBO-SSDOTTSWSA-N 0 0 188.317 2.458 10 30 AEEERN CC(C#N)(C#N)c1c[nH]c2ccccc12 584605755 346722548 /nfs/dbraw/zinc/72/25/48/346722548.db2.gz FRUZBQQJZXKHEL-UHFFFAOYSA-N 0 0 195.225 2.473 10 30 AEEERN CCCCC#CC#CCCC(=O)OC 584606684 346722608 /nfs/dbraw/zinc/72/26/08/346722608.db2.gz VZURDMTZRAUSHJ-UHFFFAOYSA-N 0 0 192.258 2.137 10 30 AEEERN C=C(C)c1cc(C(=O)OC)c(C)o1 584606603 346722727 /nfs/dbraw/zinc/72/27/27/346722727.db2.gz FRXFSSIEIHCBOO-UHFFFAOYSA-N 0 0 180.203 2.408 10 30 AEEERN CC(C)=Nc1cc[nH]c1 584606094 346722741 /nfs/dbraw/zinc/72/27/41/346722741.db2.gz BAKCFFSIORXGTB-UHFFFAOYSA-N 0 0 122.171 2.127 10 30 AEEERN CCCCC#CC(=O)OCC(C)C 584605770 346722793 /nfs/dbraw/zinc/72/27/93/346722793.db2.gz GSPMQQCJUZLVHH-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C=CC[C@@H](C(C)=O)C(=S)SC 584606718 346722959 /nfs/dbraw/zinc/72/29/59/346722959.db2.gz KAVCPMBWPVCQBO-ZETCQYMHSA-N 0 0 188.317 2.458 10 30 AEEERN C#CCCCCCCC#CC(=O)OC 584607081 346723227 /nfs/dbraw/zinc/72/32/27/346723227.db2.gz ZIXIQUXZIFEVGZ-UHFFFAOYSA-N 0 0 192.258 2.137 10 30 AEEERN CC[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C#N 584607302 346723316 /nfs/dbraw/zinc/72/33/16/346723316.db2.gz VXIKRQMVHSKPRB-QCLAVDOMSA-N 0 0 147.221 2.358 10 30 AEEERN C=C(C)[C@@H]1CC[C@](C)(OC)[C@@H](O)C1 584607235 346723329 /nfs/dbraw/zinc/72/33/29/346723329.db2.gz JRCHSXVIZPLETA-VWYCJHECSA-N 0 0 184.279 2.129 10 30 AEEERN C=CCC[C@H](CC)O/C=C/C(=O)OC 584606852 346723355 /nfs/dbraw/zinc/72/33/55/346723355.db2.gz FBBLYATUOZJKAG-DDXVTDLHSA-N 0 0 198.262 2.435 10 30 AEEERN C=C(C)[C@@H]1CCC[C@H]1C=O 584607246 346723367 /nfs/dbraw/zinc/72/33/67/346723367.db2.gz KKIWVMOTXRGWGL-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(c1ccccc1)[C@H](C)NC(C)=O 584607124 346723369 /nfs/dbraw/zinc/72/33/69/346723369.db2.gz ISJYLMGFTYKYIZ-JTQLQIEISA-N 0 0 189.258 2.224 10 30 AEEERN C=C(c1ccccc1)[C@@H](C)NC(C)=O 584607125 346723424 /nfs/dbraw/zinc/72/34/24/346723424.db2.gz ISJYLMGFTYKYIZ-SNVBAGLBSA-N 0 0 189.258 2.224 10 30 AEEERN C=CC1(NC=O)CCCCCC1 584607214 346723469 /nfs/dbraw/zinc/72/34/69/346723469.db2.gz POJYTZFNWSOAMC-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN C=CCC[C@@H](CC)O/C=C/C(=O)OC 584606851 346723535 /nfs/dbraw/zinc/72/35/35/346723535.db2.gz FBBLYATUOZJKAG-AAXQSMANSA-N 0 0 198.262 2.435 10 30 AEEERN CC(=O)c1ccccc1N=CN(C)C 584607765 346723830 /nfs/dbraw/zinc/72/38/30/346723830.db2.gz AJJPUQQUMMYULG-XYOKQWHBSA-N 0 0 190.246 2.111 10 30 AEEERN C#CCO[C@@H]1C=C(C(=C)C)CC1 584607439 346723868 /nfs/dbraw/zinc/72/38/68/346723868.db2.gz ICWMMSYTCXONPM-NSHDSACASA-N 0 0 162.232 2.301 10 30 AEEERN C#C[C@]12CCCC[C@H]1C2 584607609 346723881 /nfs/dbraw/zinc/72/38/81/346723881.db2.gz TWQOOHVCHKXMRI-DTWKUNHWSA-N 0 0 120.195 2.200 10 30 AEEERN C#CCO[C@H]1C=C(/C=C/C)CC1 584607590 346723938 /nfs/dbraw/zinc/72/39/38/346723938.db2.gz PYWZFIKDKFYKNU-JOAKQRRISA-N 0 0 162.232 2.301 10 30 AEEERN C#CCO[C@H]1C=C(C(=C)C)CC1 584607437 346723971 /nfs/dbraw/zinc/72/39/71/346723971.db2.gz ICWMMSYTCXONPM-LLVKDONJSA-N 0 0 162.232 2.301 10 30 AEEERN C=C(C)CC(C)(C)CNC#N 584607912 346723979 /nfs/dbraw/zinc/72/39/79/346723979.db2.gz QXHUULRJFIUJHS-UHFFFAOYSA-N 0 0 152.241 2.049 10 30 AEEERN C#CCO[C@@H]1C=C(/C=C/C)CC1 584607591 346723991 /nfs/dbraw/zinc/72/39/91/346723991.db2.gz PYWZFIKDKFYKNU-TZNOJPMFSA-N 0 0 162.232 2.301 10 30 AEEERN C#C[C@@]12CCCC[C@@H]1C2 584607608 346724085 /nfs/dbraw/zinc/72/40/85/346724085.db2.gz TWQOOHVCHKXMRI-BDAKNGLRSA-N 0 0 120.195 2.200 10 30 AEEERN C=C[C@@]1(c2ccccc2)CO[C@@H](C)O1 584608702 346724330 /nfs/dbraw/zinc/72/43/30/346724330.db2.gz FXIBQAWVNXIQME-PWSUYJOCSA-N 0 0 190.242 2.461 10 30 AEEERN C=C[C@H](C)CP(=O)(OC)OC 584608376 346724476 /nfs/dbraw/zinc/72/44/76/346724476.db2.gz GEQSVWRBRKDJCJ-ZETCQYMHSA-N 0 0 178.168 2.294 10 30 AEEERN CC(=O)N(O)c1cc(C)cc(C)c1 584608444 346724546 /nfs/dbraw/zinc/72/45/46/346724546.db2.gz RZKNPKWJFIDKDB-UHFFFAOYSA-N 0 0 179.219 2.046 10 30 AEEERN Cc1ccc(N(CC#N)CC#N)cc1C 584608454 346724558 /nfs/dbraw/zinc/72/45/58/346724558.db2.gz SVYLLNUZTSVAMF-UHFFFAOYSA-N 0 0 199.257 2.157 10 30 AEEERN C/C=C(CC)/C(C)=N/OC 584607983 346724582 /nfs/dbraw/zinc/72/45/82/346724582.db2.gz AGACQSZFLPWQBJ-OCIXRKKMSA-N 0 0 141.214 2.365 10 30 AEEERN C=C[C@@H](C)CP(=O)(OC)OC 584608374 346724621 /nfs/dbraw/zinc/72/46/21/346724621.db2.gz GEQSVWRBRKDJCJ-SSDOTTSWSA-N 0 0 178.168 2.294 10 30 AEEERN C=C1CCC[C@]2(O)CCC[C@@H]12 584609051 346724910 /nfs/dbraw/zinc/72/49/10/346724910.db2.gz GBSDTZMANHTVAG-UWVGGRQHSA-N 0 0 152.237 2.258 10 30 AEEERN C=C(C#Cc1ccccc1)COC 584608759 346724932 /nfs/dbraw/zinc/72/49/32/346724932.db2.gz AQXUVHWWINORJK-UHFFFAOYSA-N 0 0 172.227 2.241 10 30 AEEERN CC(=O)OCC/C=C\C/C=C\CC=O 584609104 346724968 /nfs/dbraw/zinc/72/49/68/346724968.db2.gz OTSRNLJBKIYFOC-GLIMQPGKSA-N 0 0 196.246 2.031 10 30 AEEERN C=C[C@@]1(c2ccccc2)CO[C@H](C)O1 584608772 346725005 /nfs/dbraw/zinc/72/50/05/346725005.db2.gz FXIBQAWVNXIQME-JQWIXIFHSA-N 0 0 190.242 2.461 10 30 AEEERN CCOC(=O)/C=N/c1ccc(F)cc1 584609084 346725071 /nfs/dbraw/zinc/72/50/71/346725071.db2.gz KVVBHGXOLFGBEA-KPKJPENVSA-N 0 0 195.193 2.091 10 30 AEEERN CCO/C=C/C(=O)C(F)(F)CC 584609228 346725161 /nfs/dbraw/zinc/72/51/61/346725161.db2.gz AOARUXNBKYAJEP-AATRIKPKSA-N 0 0 178.178 2.151 10 30 AEEERN CCO[C@H](C#CC1CC1)OC(C)C 584609117 346725168 /nfs/dbraw/zinc/72/51/68/346725168.db2.gz QLFXRRWFTQQZRF-NSHDSACASA-N 0 0 182.263 2.187 10 30 AEEERN CCO[C@@H](C#CC1CC1)OC(C)C 584609114 346725171 /nfs/dbraw/zinc/72/51/71/346725171.db2.gz QLFXRRWFTQQZRF-LLVKDONJSA-N 0 0 182.263 2.187 10 30 AEEERN C[Si](C)(C)C/N=C/c1ccncc1 584609306 346725560 /nfs/dbraw/zinc/72/55/60/346725560.db2.gz HRQUKDRFMNKYKT-XYOKQWHBSA-N 0 0 192.338 2.378 10 30 AEEERN C/N=C(\C)c1ccc(OC)cc1OC 584609242 346725571 /nfs/dbraw/zinc/72/55/71/346725571.db2.gz BIHBHIPDYTYRSG-XYOKQWHBSA-N 0 0 193.246 2.143 10 30 AEEERN C[Si](C)(C)C/N=C/c1nccs1 584609314 346725578 /nfs/dbraw/zinc/72/55/78/346725578.db2.gz IDAGCENEPWBCAU-RMKNXTFCSA-N 0 0 198.367 2.439 10 30 AEEERN C#C/C(=C\c1ccccc1)C(C)=O 584609792 346725776 /nfs/dbraw/zinc/72/57/76/346725776.db2.gz VFOUFWNRRNCTGY-FMIVXFBMSA-N 0 0 170.211 2.292 10 30 AEEERN C=CC[C@H](/C=C/C)C[N+](=O)[O-] 584609666 346725817 /nfs/dbraw/zinc/72/58/17/346725817.db2.gz VIJHHSNFTCXGKR-YZCDNWJKSA-N 0 0 155.197 2.032 10 30 AEEERN C/C(C#Cc1ccccc1)=C\[N+](=O)[O-] 584609693 346725824 /nfs/dbraw/zinc/72/58/24/346725824.db2.gz WRRJPVNKTFEZQZ-MDZDMXLPSA-N 0 0 187.198 2.219 10 30 AEEERN COc1ccc([C@H](C)/C=N/O)cc1 584609623 346725840 /nfs/dbraw/zinc/72/58/40/346725840.db2.gz RTRMGTCSIGSBAS-XAPLUZPNSA-N 0 0 179.219 2.259 10 30 AEEERN C=CC[C@@H](/C=C/C)C[N+](=O)[O-] 584609664 346725842 /nfs/dbraw/zinc/72/58/42/346725842.db2.gz VIJHHSNFTCXGKR-JQTRYQTASA-N 0 0 155.197 2.032 10 30 AEEERN COc1ccc([C@@H](C)/C=N/O)cc1 584609620 346725845 /nfs/dbraw/zinc/72/58/45/346725845.db2.gz RTRMGTCSIGSBAS-LBTPYSACSA-N 0 0 179.219 2.259 10 30 AEEERN C#CCC/C=C/C(=O)n1cccc1 584609676 346725909 /nfs/dbraw/zinc/72/59/09/346725909.db2.gz WDCFPHKBGAWPJO-VMPITWQZSA-N 0 0 173.215 2.098 10 30 AEEERN N#CC/N=C/C1CCCCC1 584609736 346725916 /nfs/dbraw/zinc/72/59/16/346725916.db2.gz XZHAHGSLXPXRTD-DHZHZOJOSA-N 0 0 150.225 2.161 10 30 AEEERN C[Si](C)(C)C/N=C/c1cccnc1 584609649 346725933 /nfs/dbraw/zinc/72/59/33/346725933.db2.gz VLUKMEISIFVWGL-XYOKQWHBSA-N 0 0 192.338 2.378 10 30 AEEERN O=C1CC/C1=C\c1ccco1 584609875 346725968 /nfs/dbraw/zinc/72/59/68/346725968.db2.gz KCBJNOWWMWOMNQ-VOTSOKGWSA-N 0 0 148.161 2.026 10 30 AEEERN C#C/C=C/c1cccs1 584609734 346726037 /nfs/dbraw/zinc/72/60/37/346726037.db2.gz XVUNSAMLXKTPAN-HWKANZROSA-N 0 0 134.203 2.395 10 30 AEEERN CC(=O)O/C=C/c1ccc(C#N)cc1 584609708 346726051 /nfs/dbraw/zinc/72/60/51/346726051.db2.gz QBENLEYUESHAKS-VOTSOKGWSA-N 0 0 187.198 2.092 10 30 AEEERN Oc1cccc(C#C/C=C/Cl)c1 584609918 346726083 /nfs/dbraw/zinc/72/60/83/346726083.db2.gz QRRCUGMKHOBLCL-FARCUNLSSA-N 0 0 178.618 2.496 10 30 AEEERN C=CC(=O)C=CCCCC 584610334 346726323 /nfs/dbraw/zinc/72/63/23/346726323.db2.gz ABUFPYWEZYFYOU-VOTSOKGWSA-N 0 0 138.210 2.488 10 30 AEEERN C=CCn1cccc1/C=[NH+]/CC 584610126 346726333 /nfs/dbraw/zinc/72/63/33/346726333.db2.gz JYLJZFZNWWZYLC-PKNBQFBNSA-N 0 0 162.236 2.113 10 30 AEEERN CC#CCCC/C=C/C(C)=O 584610004 346726352 /nfs/dbraw/zinc/72/63/52/346726352.db2.gz HWMIEBJGKIBWJR-CMDGGOBGSA-N 0 0 150.221 2.325 10 30 AEEERN C=CC/N=C(\C)c1ccco1 584610117 346726454 /nfs/dbraw/zinc/72/64/54/346726454.db2.gz ISPDDPJAYCVVEI-CSKARUKUSA-N 0 0 149.193 2.275 10 30 AEEERN C=CC/N=C(\C)c1cccnc1 584610036 346726460 /nfs/dbraw/zinc/72/64/60/346726460.db2.gz CRGHPNLAFGNQFN-FMIVXFBMSA-N 0 0 160.220 2.077 10 30 AEEERN CC#CCCC/C=C/C(=O)OCC 584610113 346726472 /nfs/dbraw/zinc/72/64/72/346726472.db2.gz INHYZTUWXACPDG-MDZDMXLPSA-N 0 0 180.247 2.299 10 30 AEEERN C#C/C(=C\C(C)=O)c1ccccc1 584610168 346726491 /nfs/dbraw/zinc/72/64/91/346726491.db2.gz UBIRPOVEEAJMER-PKNBQFBNSA-N 0 0 170.211 2.292 10 30 AEEERN CC(C)C/C=C/C(=O)c1nccn1C 584610046 346726514 /nfs/dbraw/zinc/72/65/14/346726514.db2.gz LBNDSSFTMKXTCQ-GQCTYLIASA-N 0 0 192.262 2.205 10 30 AEEERN C/C=C/c1cc2c(cc1C#N)OCO2 584610057 346726619 /nfs/dbraw/zinc/72/66/19/346726619.db2.gz MIQAEBBTQSIUDG-NSCUHMNNSA-N 0 0 187.198 2.320 10 30 AEEERN CC(C)=CCOC[C@H](C)CC=O 584610635 346727130 /nfs/dbraw/zinc/72/71/30/346727130.db2.gz XHEOZQIOLMUDCS-SNVBAGLBSA-N 0 0 170.252 2.194 10 30 AEEERN C=C[C@@]1(c2ccccc2)COCO1 584610582 346727057 /nfs/dbraw/zinc/72/70/57/346727057.db2.gz LWOKRIZBRRHRSR-NSHDSACASA-N 0 0 176.215 2.072 10 30 AEEERN C=CC1=CCC[C@@H](C)C1=O 584610552 346727094 /nfs/dbraw/zinc/72/70/94/346727094.db2.gz HLDQYMRJLCYFDA-SSDOTTSWSA-N 0 0 136.194 2.098 10 30 AEEERN C=C[C@@H](C[N+](=O)[O-])c1ccccc1 584610399 346727114 /nfs/dbraw/zinc/72/71/14/346727114.db2.gz SPTLWTYCKGCRFY-VIFPVBQESA-N 0 0 177.203 2.233 10 30 AEEERN C=C[C@@]1(c2ccsc2)COCO1 584610514 346727119 /nfs/dbraw/zinc/72/71/19/346727119.db2.gz BHACBWKLTOBLMZ-VIFPVBQESA-N 0 0 182.244 2.134 10 30 AEEERN C=C[C@@]1(c2ccc(C)cc2)COCO1 584610516 346727212 /nfs/dbraw/zinc/72/72/12/346727212.db2.gz BHSXYNKGPOJEIN-LBPRGKRZSA-N 0 0 190.242 2.381 10 30 AEEERN CC1=CC[C@H](/C(C)=C/[N+](=O)[O-])CC1=O 584610894 346727479 /nfs/dbraw/zinc/72/74/79/346727479.db2.gz BELDMQSXBHLKOV-ORZBULNSSA-N 0 0 195.218 2.092 10 30 AEEERN C=C/C=C\C[C@@H](C)CC=O 584611059 346727524 /nfs/dbraw/zinc/72/75/24/346727524.db2.gz BLRSRYZYQCFGMX-XRVBUDJMSA-N 0 0 138.210 2.344 10 30 AEEERN C/N=C(/C)c1ccc(OC)cc1OC 584610896 346727716 /nfs/dbraw/zinc/72/77/16/346727716.db2.gz BIHBHIPDYTYRSG-WQLSENKSSA-N 0 0 193.246 2.143 10 30 AEEERN C=C/C=C\C[C@H](C)CC=O 584611058 346727761 /nfs/dbraw/zinc/72/77/61/346727761.db2.gz BLRSRYZYQCFGMX-WBSSQXGSSA-N 0 0 138.210 2.344 10 30 AEEERN C=C[C@@]1(Cc2ccccc2)COCO1 584610778 346727797 /nfs/dbraw/zinc/72/77/97/346727797.db2.gz VUAPUIJACJHENR-GFCCVEGCSA-N 0 0 190.242 2.158 10 30 AEEERN CC1=CC[C@H](/C(C)=C\[N+](=O)[O-])CC1=O 584610895 346727817 /nfs/dbraw/zinc/72/78/17/346727817.db2.gz BELDMQSXBHLKOV-XZLDQRQTSA-N 0 0 195.218 2.092 10 30 AEEERN C=C[C@]1(c2ccccc2)COCO1 584610726 346727823 /nfs/dbraw/zinc/72/78/23/346727823.db2.gz LWOKRIZBRRHRSR-LLVKDONJSA-N 0 0 176.215 2.072 10 30 AEEERN C/C=C\OC(=O)c1ccc(C#N)cc1 584611492 346728105 /nfs/dbraw/zinc/72/81/05/346728105.db2.gz IXKCJDWBGGOTEA-UQCOIBPSSA-N 0 0 187.198 2.249 10 30 AEEERN C=CC(=O)C=CCCCC 584611428 346728121 /nfs/dbraw/zinc/72/81/21/346728121.db2.gz ABUFPYWEZYFYOU-SREVYHEPSA-N 0 0 138.210 2.488 10 30 AEEERN Oc1cccc(C#C/C=C\Cl)c1 584611229 346728124 /nfs/dbraw/zinc/72/81/24/346728124.db2.gz QRRCUGMKHOBLCL-UQCOIBPSSA-N 0 0 178.618 2.496 10 30 AEEERN C=CC/N=C(/C)c1ccco1 584611563 346728131 /nfs/dbraw/zinc/72/81/31/346728131.db2.gz ISPDDPJAYCVVEI-NTMALXAHSA-N 0 0 149.193 2.275 10 30 AEEERN C=C[C@@H](CCC)/C(=C/OC)C(=O)OC 584611508 346728137 /nfs/dbraw/zinc/72/81/37/346728137.db2.gz JHEZNIBQGRNCLV-CUQRQBARSA-N 0 0 198.262 2.292 10 30 AEEERN COc1ccc([C@@H](C)/C=N\O)cc1 584611241 346728166 /nfs/dbraw/zinc/72/81/66/346728166.db2.gz RTRMGTCSIGSBAS-CLUBXZQOSA-N 0 0 179.219 2.259 10 30 AEEERN C=C[C@H](CCC)/C(=C/OC)C(=O)OC 584611510 346728259 /nfs/dbraw/zinc/72/82/59/346728259.db2.gz JHEZNIBQGRNCLV-URLRMUCDSA-N 0 0 198.262 2.292 10 30 AEEERN COc1ccc([C@H](C)/C=N\O)cc1 584611242 346728283 /nfs/dbraw/zinc/72/82/83/346728283.db2.gz RTRMGTCSIGSBAS-XNYAHFKXSA-N 0 0 179.219 2.259 10 30 AEEERN C=C[C@H](C)/C(=C/OCCC)C(=O)OC 584611911 346728287 /nfs/dbraw/zinc/72/82/87/346728287.db2.gz PJFZOEPXAMZRCH-CUQRQBARSA-N 0 0 198.262 2.292 10 30 AEEERN C=C[C@@H](C)/C(=C/OCCC)C(=O)OC 584611912 346728295 /nfs/dbraw/zinc/72/82/95/346728295.db2.gz PJFZOEPXAMZRCH-URLRMUCDSA-N 0 0 198.262 2.292 10 30 AEEERN CC#CCCC/C=C\C(C)=O 584611454 346728308 /nfs/dbraw/zinc/72/83/08/346728308.db2.gz HWMIEBJGKIBWJR-HJWRWDBZSA-N 0 0 150.221 2.325 10 30 AEEERN C=C[C@@H](CCC)n1ccccc1=O 584612675 346728325 /nfs/dbraw/zinc/72/83/25/346728325.db2.gz BXIHSWNCNBRFPP-JTQLQIEISA-N 0 0 177.247 2.376 10 30 AEEERN O/N=C1\CCCc2cc(F)c(F)cc21 584612952 346728488 /nfs/dbraw/zinc/72/84/88/346728488.db2.gz YKOGCZVXEFIYLW-JLHYYAGUSA-N 0 0 197.184 2.479 10 30 AEEERN C=C1CN(c2ccc(Cl)cc2)C1=O 584613436 346728517 /nfs/dbraw/zinc/72/85/17/346728517.db2.gz QQWVSURFYKIHMF-UHFFFAOYSA-N 0 0 193.633 2.243 10 30 AEEERN C=C[C@H](CCC)n1ccccc1=O 584612676 346728521 /nfs/dbraw/zinc/72/85/21/346728521.db2.gz BXIHSWNCNBRFPP-SNVBAGLBSA-N 0 0 177.247 2.376 10 30 AEEERN CCC=C=CC(=O)c1ccccc1N 584613026 346728526 /nfs/dbraw/zinc/72/85/26/346728526.db2.gz KRACLWWLIBFAFE-UHFFFAOYSA-N 0 0 187.242 2.255 10 30 AEEERN CCC#CCOC=C(C)C 584613517 346728540 /nfs/dbraw/zinc/72/85/40/346728540.db2.gz ORMHIQQFVPOVRK-UHFFFAOYSA-N 0 0 138.210 2.340 10 30 AEEERN O=CC1(C#Cc2ccc(F)cc2)CC1 584612851 346728575 /nfs/dbraw/zinc/72/85/75/346728575.db2.gz QIXWAIQRNLRUBS-UHFFFAOYSA-N 0 0 188.201 2.156 10 30 AEEERN C=CC/C(=N/O)c1ccccc1OC 584613573 346728599 /nfs/dbraw/zinc/72/85/99/346728599.db2.gz WFQOGZRCPIAUGA-BENRWUELSA-N 0 0 191.230 2.450 10 30 AEEERN CC(=O)n1cc(C#N)c2cc(C)ccc21 584616546 346729848 /nfs/dbraw/zinc/72/98/48/346729848.db2.gz AEKYODADPCUOIT-UHFFFAOYSA-N 0 0 198.225 2.482 10 30 AEEERN CCCC(=O)C=C(N)c1ccccc1 584616572 346729898 /nfs/dbraw/zinc/72/98/98/346729898.db2.gz DRHPXVNCUAWHMJ-XFXZXTDPSA-N 0 0 189.258 2.355 10 30 AEEERN C#CSc1ccc(OC)cc1 584616625 346729909 /nfs/dbraw/zinc/72/99/09/346729909.db2.gz RRQCHIRTATUURC-UHFFFAOYSA-N 0 0 164.229 2.378 10 30 AEEERN CC(=O)n1c(C#N)cc2cc(C)ccc21 584616573 346729978 /nfs/dbraw/zinc/72/99/78/346729978.db2.gz DZPTWHPOBPAXRS-UHFFFAOYSA-N 0 0 198.225 2.482 10 30 AEEERN N#CCCCCCN1CC(F)(F)C1 584616717 346730038 /nfs/dbraw/zinc/73/00/38/346730038.db2.gz VOBFBMCKYOGBNZ-UHFFFAOYSA-N 0 0 188.221 2.021 10 30 AEEERN C=C(C#Cc1ccc(F)cc1)COC 584616664 346730142 /nfs/dbraw/zinc/73/01/42/346730142.db2.gz VOODNDQDWYJFCP-UHFFFAOYSA-N 0 0 190.217 2.380 10 30 AEEERN COCCC#Cc1ccc(OC)cc1 584619959 346730730 /nfs/dbraw/zinc/73/07/30/346730730.db2.gz POHHDHGMKCFSKX-UHFFFAOYSA-N 0 0 190.242 2.083 10 30 AEEERN CCCC[C@H](CCC=O)OC(C)=O 584620375 346731256 /nfs/dbraw/zinc/73/12/56/346731256.db2.gz KZXMTFFNLHNZEH-SNVBAGLBSA-N 0 0 186.251 2.087 10 30 AEEERN CCCC[C@@H](CCC=O)OC(C)=O 584620369 346731279 /nfs/dbraw/zinc/73/12/79/346731279.db2.gz KZXMTFFNLHNZEH-JTQLQIEISA-N 0 0 186.251 2.087 10 30 AEEERN Fc1cccc(C#C[C@H]2CCCO2)c1 584621894 346731516 /nfs/dbraw/zinc/73/15/16/346731516.db2.gz UUKVNPBIPXSMPC-GFCCVEGCSA-N 0 0 190.217 2.356 10 30 AEEERN Fc1cccc(C#C[C@@H]2CCCO2)c1 584621895 346731528 /nfs/dbraw/zinc/73/15/28/346731528.db2.gz UUKVNPBIPXSMPC-LBPRGKRZSA-N 0 0 190.217 2.356 10 30 AEEERN N#C[C@]12CCCc3cccc(c31)C(=O)C2 584624058 346732043 /nfs/dbraw/zinc/73/20/43/346732043.db2.gz ZJRWJMQERVWNNX-CYBMUJFWSA-N 0 0 197.237 2.371 10 30 AEEERN N#C[C@@]12CCCc3cccc(c31)C(=O)C2 584624059 346732077 /nfs/dbraw/zinc/73/20/77/346732077.db2.gz ZJRWJMQERVWNNX-ZDUSSCGKSA-N 0 0 197.237 2.371 10 30 AEEERN C#Cc1ccccc1SCOC 584625115 346732141 /nfs/dbraw/zinc/73/21/41/346732141.db2.gz BXNBBJQLLOEVLP-UHFFFAOYSA-N 0 0 178.256 2.364 10 30 AEEERN CC(=O)[C@@](Cl)(C#N)c1ccccc1 584624612 346732153 /nfs/dbraw/zinc/73/21/53/346732153.db2.gz NCJYCRLJKJJMPI-JTQLQIEISA-N 0 0 193.633 2.233 10 30 AEEERN C=CC[C@H](C)O[C@@H]1CCCCO1 584624254 346732179 /nfs/dbraw/zinc/73/21/79/346732179.db2.gz MLUPGBRAJCTFIA-VHSXEESVSA-N 0 0 170.252 2.494 10 30 AEEERN Cc1c(C#N)oc2cc(C=O)ccc12 584624849 346732226 /nfs/dbraw/zinc/73/22/26/346732226.db2.gz DPXXIEIKWOPNIY-UHFFFAOYSA-N 0 0 185.182 2.425 10 30 AEEERN CC(=O)[C@](Cl)(C#N)c1ccccc1 584624613 346732287 /nfs/dbraw/zinc/73/22/87/346732287.db2.gz NCJYCRLJKJJMPI-SNVBAGLBSA-N 0 0 193.633 2.233 10 30 AEEERN C=CCC(=O)C(C)(C)Cl 584624620 346732293 /nfs/dbraw/zinc/73/22/93/346732293.db2.gz PRTKMVUQMXYFEZ-UHFFFAOYSA-N 0 0 146.617 2.149 10 30 AEEERN Cc1c(C#N)oc2cc(CO)ccc12 584624863 346732385 /nfs/dbraw/zinc/73/23/85/346732385.db2.gz GEPHPDPQJIOPDZ-UHFFFAOYSA-N 0 0 187.198 2.105 10 30 AEEERN C=CC[C@H](C)O[C@H]1CCCCO1 584624253 346732410 /nfs/dbraw/zinc/73/24/10/346732410.db2.gz MLUPGBRAJCTFIA-UWVGGRQHSA-N 0 0 170.252 2.494 10 30 AEEERN C#CCn1ccnc1C1CCCC1 584625086 346732429 /nfs/dbraw/zinc/73/24/29/346732429.db2.gz ATNGFXGQDSZZLA-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C/C(=N\C(C)C)C(F)F 584627176 346733032 /nfs/dbraw/zinc/73/30/32/346733032.db2.gz NICRTVVFOCBIKC-WEVVVXLNSA-N 0 0 135.157 2.121 10 30 AEEERN C=CCC(C)(C)OCC(=C)C(=O)OC 584627604 346733168 /nfs/dbraw/zinc/73/31/68/346733168.db2.gz UUFCMJQHPGHCMU-UHFFFAOYSA-N 0 0 198.262 2.087 10 30 AEEERN CC(C)(C#N)[S@@](=O)c1ccccc1 584626609 346733286 /nfs/dbraw/zinc/73/32/86/346733286.db2.gz PQCZAKMALAXNNX-ZDUSSCGKSA-N 0 0 193.271 2.096 10 30 AEEERN C=C(C[Si](C)(C)C)[C@@H]1CO1 584627021 346733305 /nfs/dbraw/zinc/73/33/05/346733305.db2.gz DWMLRIQJLSSVFH-QMMMGPOBSA-N 0 0 156.301 2.280 10 30 AEEERN CC(C)(C#N)[S@](=O)c1ccccc1 584626606 346733320 /nfs/dbraw/zinc/73/33/20/346733320.db2.gz PQCZAKMALAXNNX-CYBMUJFWSA-N 0 0 193.271 2.096 10 30 AEEERN C/C(=N\N=C(/C)C(F)F)C(F)F 584627812 346733350 /nfs/dbraw/zinc/73/33/50/346733350.db2.gz FZTAZMSABBMEKG-HMMKTVFPSA-N 0 0 184.136 2.353 10 30 AEEERN C=C(C[Si](C)(C)C)[C@H]1CO1 584627020 346733396 /nfs/dbraw/zinc/73/33/96/346733396.db2.gz DWMLRIQJLSSVFH-MRVPVSSYSA-N 0 0 156.301 2.280 10 30 AEEERN C=C[C@](O)(CC)c1ccc(OC)cc1 584629633 346734369 /nfs/dbraw/zinc/73/43/69/346734369.db2.gz MHNFOBJFHBRPDJ-LBPRGKRZSA-N 0 0 192.258 2.479 10 30 AEEERN C=C[C@@](O)(CC)c1ccc(OC)cc1 584629632 346734409 /nfs/dbraw/zinc/73/44/09/346734409.db2.gz MHNFOBJFHBRPDJ-GFCCVEGCSA-N 0 0 192.258 2.479 10 30 AEEERN C=C(OC(=O)N(C)C)C(C)(C)C 584630606 346734770 /nfs/dbraw/zinc/73/47/70/346734770.db2.gz BPBLNNAWZYYVPZ-UHFFFAOYSA-N 0 0 171.240 2.244 10 30 AEEERN C=C[C@](C)(OC(=O)OC)C(C)C 584630789 346735292 /nfs/dbraw/zinc/73/52/92/346735292.db2.gz YSNWZAGIZWJVQK-VIFPVBQESA-N 0 0 172.224 2.370 10 30 AEEERN C=C[C@@](C)(OC(=O)OC)C(C)C 584630787 346735388 /nfs/dbraw/zinc/73/53/88/346735388.db2.gz YSNWZAGIZWJVQK-SECBINFHSA-N 0 0 172.224 2.370 10 30 AEEERN C[C@H]1Cc2ccccc2[C@H](C#N)O1 584631505 346735767 /nfs/dbraw/zinc/73/57/67/346735767.db2.gz AHNWWQAHCMOKQN-KWQFWETISA-N 0 0 173.215 2.212 10 30 AEEERN C[C@@H]1Cc2ccccc2[C@H](C#N)O1 584631504 346735882 /nfs/dbraw/zinc/73/58/82/346735882.db2.gz AHNWWQAHCMOKQN-KCJUWKMLSA-N 0 0 173.215 2.212 10 30 AEEERN C=C[C@H]1N=C1c1ccccc1 584631751 346735896 /nfs/dbraw/zinc/73/58/96/346735896.db2.gz SOODTNXNCJUEIF-SECBINFHSA-N 0 0 143.189 2.044 10 30 AEEERN C#C[C@H](OCCC#N)c1ccccc1 584631448 346735926 /nfs/dbraw/zinc/73/59/26/346735926.db2.gz XYPMKHMHBDSBPV-LBPRGKRZSA-N 0 0 185.226 2.291 10 30 AEEERN C=C1C(=O)OC[C@@H]1C[Si](C)(C)C 584631539 346735955 /nfs/dbraw/zinc/73/59/55/346735955.db2.gz JZXAVIONAGKZSA-MRVPVSSYSA-N 0 0 184.311 2.054 10 30 AEEERN C[C@@H]1Cc2ccccc2[C@@H](C#N)O1 584631506 346735965 /nfs/dbraw/zinc/73/59/65/346735965.db2.gz AHNWWQAHCMOKQN-LDYMZIIASA-N 0 0 173.215 2.212 10 30 AEEERN C=C1C(=O)OC[C@H]1C[Si](C)(C)C 584631540 346735972 /nfs/dbraw/zinc/73/59/72/346735972.db2.gz JZXAVIONAGKZSA-QMMMGPOBSA-N 0 0 184.311 2.054 10 30 AEEERN C#C[C@@H](OCCC#N)c1ccccc1 584631447 346736009 /nfs/dbraw/zinc/73/60/09/346736009.db2.gz XYPMKHMHBDSBPV-GFCCVEGCSA-N 0 0 185.226 2.291 10 30 AEEERN C[C@H]1Cc2ccccc2[C@@H](C#N)O1 584631503 346736016 /nfs/dbraw/zinc/73/60/16/346736016.db2.gz AHNWWQAHCMOKQN-GZMMTYOYSA-N 0 0 173.215 2.212 10 30 AEEERN CC[C@@H](CC#N)CCC#N 584632560 346736377 /nfs/dbraw/zinc/73/63/77/346736377.db2.gz XTINMUXXCHZROO-MRVPVSSYSA-N 0 0 136.198 2.230 10 30 AEEERN N#Cc1ccc([C@@H]2C=COC2)cc1 584633407 346736415 /nfs/dbraw/zinc/73/64/15/346736415.db2.gz APXRZFXEQKPVHK-LLVKDONJSA-N 0 0 171.199 2.186 10 30 AEEERN C=C1Cc2ccc(OC)cc21 584632179 346736444 /nfs/dbraw/zinc/73/64/44/346736444.db2.gz OTURXKQMAUBSCI-UHFFFAOYSA-N 0 0 146.189 2.265 10 30 AEEERN N#Cc1ccc([C@H]2C=COC2)cc1 584633408 346736432 /nfs/dbraw/zinc/73/64/32/346736432.db2.gz APXRZFXEQKPVHK-NSHDSACASA-N 0 0 171.199 2.186 10 30 AEEERN C=C(SCC)C(C)(C)O 584632431 346736447 /nfs/dbraw/zinc/73/64/47/346736447.db2.gz PXBMBMAPIXDLLH-UHFFFAOYSA-N 0 0 146.255 2.024 10 30 AEEERN CC[C@H](CC#N)CCC#N 584632561 346736480 /nfs/dbraw/zinc/73/64/80/346736480.db2.gz XTINMUXXCHZROO-QMMMGPOBSA-N 0 0 136.198 2.230 10 30 AEEERN N#Cc1ccc(C#CC(F)(F)F)cc1 584633526 346736532 /nfs/dbraw/zinc/73/65/32/346736532.db2.gz VMYQDPYQSMHQJL-UHFFFAOYSA-N 0 0 195.143 2.472 10 30 AEEERN O=Cc1ccc(C#CCl)cc1 584634423 346736855 /nfs/dbraw/zinc/73/68/55/346736855.db2.gz AAPQLNNMTCQCAB-UHFFFAOYSA-N 0 0 164.591 2.047 10 30 AEEERN O/N=C/c1cccc2occc12 584635515 346737245 /nfs/dbraw/zinc/73/72/45/346737245.db2.gz QRHGBNXDZVDHMH-UXBLZVDNSA-N 0 0 161.160 2.241 10 30 AEEERN C[Si](C)(C)C#CC#Cc1ccncc1 584635764 346737378 /nfs/dbraw/zinc/73/73/78/346737378.db2.gz RYUFQHNPSVEYLA-UHFFFAOYSA-N 0 0 199.329 2.314 10 30 AEEERN C[C@@H]1CO[C@@H](C#N)c2ccccc21 584635987 346737387 /nfs/dbraw/zinc/73/73/87/346737387.db2.gz CNWGGPOGBZKVDM-KCJUWKMLSA-N 0 0 173.215 2.385 10 30 AEEERN C[C@H]1CO[C@H](C#N)c2ccccc21 584635986 346737403 /nfs/dbraw/zinc/73/74/03/346737403.db2.gz CNWGGPOGBZKVDM-GZMMTYOYSA-N 0 0 173.215 2.385 10 30 AEEERN Cc1ccc(C)c2c1CC/C2=N\O 584635704 346737454 /nfs/dbraw/zinc/73/74/54/346737454.db2.gz DYFKLHMSIAOYKF-ZRDIBKRKSA-N 0 0 175.231 2.428 10 30 AEEERN Cc1cc(CS)nc(CS)c1 584636143 346737483 /nfs/dbraw/zinc/73/74/83/346737483.db2.gz BYTSSKYPOXFJBJ-UHFFFAOYSA-N 0 0 185.317 2.250 10 30 AEEERN C[C@@H]1CO[C@H](C#N)c2ccccc21 584635989 346737600 /nfs/dbraw/zinc/73/76/00/346737600.db2.gz CNWGGPOGBZKVDM-LDYMZIIASA-N 0 0 173.215 2.385 10 30 AEEERN CC(=O)/C=C/N(C)c1ccccc1F 584635810 346737661 /nfs/dbraw/zinc/73/76/61/346737661.db2.gz YJTXRYGSGVCFBC-BQYQJAHWSA-N 0 0 193.221 2.365 10 30 AEEERN C[C@H]1CO[C@@H](C#N)c2ccccc21 584635988 346737683 /nfs/dbraw/zinc/73/76/83/346737683.db2.gz CNWGGPOGBZKVDM-KWQFWETISA-N 0 0 173.215 2.385 10 30 AEEERN C=C[C@H](O)C#CSc1ccccc1 584636522 346737906 /nfs/dbraw/zinc/73/79/06/346737906.db2.gz BBYKDARFWWSOIA-JTQLQIEISA-N 0 0 190.267 2.287 10 30 AEEERN C=C1C(=O)OC[C@]1(C)c1ccccc1 584636219 346738053 /nfs/dbraw/zinc/73/80/53/346738053.db2.gz YMJJXUGLMJPANV-LBPRGKRZSA-N 0 0 188.226 2.057 10 30 AEEERN C=C[C@@H](O)C#CSc1ccccc1 584636523 346738072 /nfs/dbraw/zinc/73/80/72/346738072.db2.gz BBYKDARFWWSOIA-SNVBAGLBSA-N 0 0 190.267 2.287 10 30 AEEERN C=C1C(=O)OC[C@@]1(C)c1ccccc1 584636218 346738077 /nfs/dbraw/zinc/73/80/77/346738077.db2.gz YMJJXUGLMJPANV-GFCCVEGCSA-N 0 0 188.226 2.057 10 30 AEEERN N#CCCCC(=O)Cc1ccccc1 584638483 346738282 /nfs/dbraw/zinc/73/82/82/346738282.db2.gz DFFVCJNVJDLRGS-UHFFFAOYSA-N 0 0 187.242 2.492 10 30 AEEERN C=CCCC(=O)CCCCOC(C)=O 584638724 346738327 /nfs/dbraw/zinc/73/83/27/346738327.db2.gz VBMGOQFEWYCMNS-UHFFFAOYSA-N 0 0 198.262 2.255 10 30 AEEERN C=CCc1ccc2c(cnn2C)c1 584637557 346738468 /nfs/dbraw/zinc/73/84/68/346738468.db2.gz FGAYEFHGFFAOHD-UHFFFAOYSA-N 0 0 172.231 2.302 10 30 AEEERN C#Cc1cc2c(cc1C=C)OCO2 584638393 346738499 /nfs/dbraw/zinc/73/84/99/346738499.db2.gz RTDLPZMXGURCLB-UHFFFAOYSA-N 0 0 172.183 2.040 10 30 AEEERN CC(C)(O)CCC#C[Si](C)(C)C 584638966 346738849 /nfs/dbraw/zinc/73/88/49/346738849.db2.gz OROXGTCZQFPVRS-UHFFFAOYSA-N 0 0 184.355 2.418 10 30 AEEERN C=C1CC[C@@]2(C=CC(OC)=CC2=O)C1 584640858 346739157 /nfs/dbraw/zinc/73/91/57/346739157.db2.gz CHATULONBMPTNT-GFCCVEGCSA-N 0 0 190.242 2.382 10 30 AEEERN C[Si](C)(C)C#CC#CC1CC1 584641168 346739205 /nfs/dbraw/zinc/73/92/05/346739205.db2.gz LWRJMAOUCBBCPO-UHFFFAOYSA-N 0 0 162.308 2.281 10 30 AEEERN C=C1CC[C@]2(C=CC(OC)=CC2=O)C1 584640859 346739351 /nfs/dbraw/zinc/73/93/51/346739351.db2.gz CHATULONBMPTNT-LBPRGKRZSA-N 0 0 190.242 2.382 10 30 AEEERN C/N=C(\C)c1ccc(OC)c(OC)c1 584644158 346739931 /nfs/dbraw/zinc/73/99/31/346739931.db2.gz CSJQKTVQHNPYMU-XYOKQWHBSA-N 0 0 193.246 2.143 10 30 AEEERN C(=N/C1CCCC1)\c1ccccn1 584643265 346739974 /nfs/dbraw/zinc/73/99/74/346739974.db2.gz BQSCCJHDFILGMF-UKTHLTGXSA-N 0 0 174.247 2.443 10 30 AEEERN CC(C)c1cc(C#N)ccc1C=O 584643902 346739978 /nfs/dbraw/zinc/73/99/78/346739978.db2.gz WHWUTENJHNUYHL-UHFFFAOYSA-N 0 0 173.215 2.494 10 30 AEEERN C#CCOC(=O)c1ccc(C=C)cc1 584643269 346740081 /nfs/dbraw/zinc/74/00/81/346740081.db2.gz FHZVRXVAVNTXRY-UHFFFAOYSA-N 0 0 186.210 2.120 10 30 AEEERN CCCN=Nc1cc(Cl)nc(C)n1 584647229 346741243 /nfs/dbraw/zinc/74/12/43/346741243.db2.gz MMUFTUHMURRCEM-ONNFQVAWSA-N 0 0 198.657 2.246 10 30 AEEERN C#C[C@](C)(O)CCC[C@](C)(CC)OC 584647117 346741253 /nfs/dbraw/zinc/74/12/53/346741253.db2.gz IAUZGBUZGWSRQW-RYUDHWBXSA-N 0 0 198.306 2.356 10 30 AEEERN C#C[C@@](C)(O)CCC[C@@](C)(CC)OC 584647118 346741271 /nfs/dbraw/zinc/74/12/71/346741271.db2.gz IAUZGBUZGWSRQW-VXGBXAGGSA-N 0 0 198.306 2.356 10 30 AEEERN C#C[C@@](C)(O)CCC[C@](C)(CC)OC 584647114 346741303 /nfs/dbraw/zinc/74/13/03/346741303.db2.gz IAUZGBUZGWSRQW-NEPJUHHUSA-N 0 0 198.306 2.356 10 30 AEEERN C#C[C@](C)(O)CCC[C@@](C)(CC)OC 584647116 346741314 /nfs/dbraw/zinc/74/13/14/346741314.db2.gz IAUZGBUZGWSRQW-NWDGAFQWSA-N 0 0 198.306 2.356 10 30 AEEERN C=C1OC(=NCC)Nc2ccccc21 584647293 346741385 /nfs/dbraw/zinc/74/13/85/346741385.db2.gz BNLRIUWSMFCJQC-UHFFFAOYSA-N 0 0 188.230 2.475 10 30 AEEERN N#C[C@@H](CC1CC1)c1cccnc1 584647101 346741498 /nfs/dbraw/zinc/74/14/98/346741498.db2.gz HOQNIWROXLENRL-LLVKDONJSA-N 0 0 172.231 2.489 10 30 AEEERN N#C[C@H](CC1CC1)c1cccnc1 584647104 346741520 /nfs/dbraw/zinc/74/15/20/346741520.db2.gz HOQNIWROXLENRL-NSHDSACASA-N 0 0 172.231 2.489 10 30 AEEERN C[Si](C)(C)c1ccccc1/C=N/O 584649886 346741797 /nfs/dbraw/zinc/74/17/97/346741797.db2.gz VGGHIAMCBGBSHN-DHZHZOJOSA-N 0 0 193.322 2.040 10 30 AEEERN Cc1cc(CO)c(C(C)C)cc1C#N 584648026 346741991 /nfs/dbraw/zinc/74/19/91/346741991.db2.gz URWCYEGBCUCQQN-UHFFFAOYSA-N 0 0 189.258 2.482 10 30 AEEERN N#CCCSC(=O)c1ccccc1 584650579 346742393 /nfs/dbraw/zinc/74/23/93/346742393.db2.gz ZFQKMHHRJPJKNF-UHFFFAOYSA-N 0 0 191.255 2.474 10 30 AEEERN O/N=C/c1ccccc1C#CC1CC1 584656672 346742965 /nfs/dbraw/zinc/74/29/65/346742965.db2.gz STLVZAPYEWSYHV-UKTHLTGXSA-N 0 0 185.226 2.256 10 30 AEEERN C=C[C@]1(C(=O)OC)[C@H]2CCCC[C@H]21 584652113 346743002 /nfs/dbraw/zinc/74/30/02/346743002.db2.gz AABDPCCZRNGKKV-DOFRTFSJSA-N 0 0 180.247 2.152 10 30 AEEERN C#C/C=C/COCc1ccccc1 584652716 346743014 /nfs/dbraw/zinc/74/30/14/346743014.db2.gz VMORBDLUBPYAJR-XVNBXDOJSA-N 0 0 172.227 2.393 10 30 AEEERN CC/N=C(\c1ccccc1)C(C)(C)O 584656854 346743250 /nfs/dbraw/zinc/74/32/50/346743250.db2.gz LDLFOTOIRVUGSQ-ACCUITESSA-N 0 0 191.274 2.267 10 30 AEEERN C=C(C)CC(=O)N1CCCCC1=S 584656944 346743316 /nfs/dbraw/zinc/74/33/16/346743316.db2.gz VZTMHHPSYCDVPJ-UHFFFAOYSA-N 0 0 197.303 2.293 10 30 AEEERN O/N=C/CCCCCC/C=N/O 584656915 346743571 /nfs/dbraw/zinc/74/35/71/346743571.db2.gz SXBMGGUMXXBHPC-FIFLTTCUSA-N 0 0 172.228 2.247 10 30 AEEERN O/N=C1/C=C(Cl)CCC1 584657339 346743839 /nfs/dbraw/zinc/74/38/39/346743839.db2.gz BCEPBTVQXJZQLR-SOFGYWHQSA-N 0 0 145.589 2.123 10 30 AEEERN C#Cc1ncccc1/C=C/C 584657116 346743845 /nfs/dbraw/zinc/74/38/45/346743845.db2.gz MDFXGUULUNNKKE-ZZXKWVIFSA-N 0 0 143.189 2.096 10 30 AEEERN C=CC[C@@H](C(=O)CCC)C(=O)OCC 584657338 346743880 /nfs/dbraw/zinc/74/38/80/346743880.db2.gz BBDXOKZBITYVJY-VIFPVBQESA-N 0 0 198.262 2.111 10 30 AEEERN C=CC[C@H](C(=O)CCC)C(=O)OCC 584657337 346744014 /nfs/dbraw/zinc/74/40/14/346744014.db2.gz BBDXOKZBITYVJY-SECBINFHSA-N 0 0 198.262 2.111 10 30 AEEERN C=CC[C@@H]1CC(=O)C=C2CCC(=O)[C@@H]21 584657447 346744416 /nfs/dbraw/zinc/74/44/16/346744416.db2.gz GRUISVXIYNBMQI-PRHODGIISA-N 0 0 190.242 2.057 10 30 AEEERN Cc1ccc(C#N)c(-c2ncccn2)c1 584657482 346744427 /nfs/dbraw/zinc/74/44/27/346744427.db2.gz NKDQBMORUMAZHB-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC(C)=C=CCC/C=N/O 584657426 346744442 /nfs/dbraw/zinc/74/44/42/346744442.db2.gz BLIYCTVVDQFQMM-VQHVLOKHSA-N 0 0 139.198 2.348 10 30 AEEERN C=CCN/N=C(\C)c1ccccc1 584657513 346744468 /nfs/dbraw/zinc/74/44/68/346744468.db2.gz SCYAXVHMQMHUMC-JLHYYAGUSA-N 0 0 174.247 2.186 10 30 AEEERN C=C(C)[C@@H](CC)OC(=O)CC 584657570 346744474 /nfs/dbraw/zinc/74/44/74/346744474.db2.gz GRGDDXFXYNIHDW-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN C=CCOCCCC/C=C/C(=O)OC 584657476 346744574 /nfs/dbraw/zinc/74/45/74/346744574.db2.gz LNWHWJNFCLVEBA-SOFGYWHQSA-N 0 0 198.262 2.089 10 30 AEEERN C=CC[C@@H]1CC(=O)C=C2CCC(=O)[C@H]21 584657446 346744575 /nfs/dbraw/zinc/74/45/75/346744575.db2.gz GRUISVXIYNBMQI-PELKAZGASA-N 0 0 190.242 2.057 10 30 AEEERN CCC/C=N/OC(OCC)OCC 584657741 346744906 /nfs/dbraw/zinc/74/49/06/346744906.db2.gz JMEPZJBDJSIYCE-CSKARUKUSA-N 0 0 189.255 2.146 10 30 AEEERN CSC(=O)/C=C(\C)C(C)C 584658141 346745587 /nfs/dbraw/zinc/74/55/87/346745587.db2.gz ILLZYGVLMRABOM-FNORWQNLSA-N 0 0 158.266 2.478 10 30 AEEERN C=C(C)/C=C/CC1OCCCO1 584660677 346745824 /nfs/dbraw/zinc/74/58/24/346745824.db2.gz AGAPEEMULUVHFE-HWKANZROSA-N 0 0 168.236 2.272 10 30 AEEERN C=C(F)C[C@H](O)Cc1ccco1 584659470 346745897 /nfs/dbraw/zinc/74/58/97/346745897.db2.gz PQEDORBFIDWPHC-QMMMGPOBSA-N 0 0 170.183 2.056 10 30 AEEERN C=C(C)CC[C@@H]1CCOC(=O)C1 584660721 346746401 /nfs/dbraw/zinc/74/64/01/346746401.db2.gz JCFZFUWSBNRCGQ-SECBINFHSA-N 0 0 168.236 2.296 10 30 AEEERN CCCCC#C[C@H]1CCCOC1=O 584660745 346746404 /nfs/dbraw/zinc/74/64/04/346746404.db2.gz LJUBFPMCUVHRRP-JTQLQIEISA-N 0 0 180.247 2.133 10 30 AEEERN C#Cc1ccccc1[C@H](C)OC 584660691 346746440 /nfs/dbraw/zinc/74/64/40/346746440.db2.gz CUJKLXAGKKGZDM-VIFPVBQESA-N 0 0 160.216 2.375 10 30 AEEERN C#Cc1ccccc1[C@@H](C)OC 584660690 346746650 /nfs/dbraw/zinc/74/66/50/346746650.db2.gz CUJKLXAGKKGZDM-SECBINFHSA-N 0 0 160.216 2.375 10 30 AEEERN C=CCCCCC1OCCCO1 584660940 346746688 /nfs/dbraw/zinc/74/66/88/346746688.db2.gz WYRUOFZNURRRQI-UHFFFAOYSA-N 0 0 170.252 2.496 10 30 AEEERN O=C[C@@H]1[C@H]2CCCO[C@@H]2C12CCCC2 584880529 346747566 /nfs/dbraw/zinc/74/75/66/346747566.db2.gz FJFBBUJRKBOAAF-MXWKQRLJSA-N 0 0 194.274 2.171 10 30 AEEERN O=C[C@@H]1[C@H]2CCCO[C@H]2C12CCCC2 584880527 346747733 /nfs/dbraw/zinc/74/77/33/346747733.db2.gz FJFBBUJRKBOAAF-GMTAPVOTSA-N 0 0 194.274 2.171 10 30 AEEERN O=C[C@@H]1[C@@H]2CCCO[C@@H]2C12CCCC2 584880523 346747854 /nfs/dbraw/zinc/74/78/54/346747854.db2.gz FJFBBUJRKBOAAF-AXFHLTTASA-N 0 0 194.274 2.171 10 30 AEEERN O=C[C@@H]1[C@@H]2CCCO[C@H]2C12CCCC2 584880528 346747880 /nfs/dbraw/zinc/74/78/80/346747880.db2.gz FJFBBUJRKBOAAF-HBNTYKKESA-N 0 0 194.274 2.171 10 30 AEEERN C#CC(C)(C)OCc1ccccn1 584882449 346749634 /nfs/dbraw/zinc/74/96/34/346749634.db2.gz IPXIYFPEBZYSBC-UHFFFAOYSA-N 0 0 175.231 2.010 10 30 AEEERN C#CC(C)(C)OCc1ccncc1 584882402 346749916 /nfs/dbraw/zinc/74/99/16/346749916.db2.gz GMZHQHAUIRMONN-UHFFFAOYSA-N 0 0 175.231 2.010 10 30 AEEERN C#CC(C)(C)OCC(C)C 584882649 346750489 /nfs/dbraw/zinc/75/04/89/346750489.db2.gz UMKDKLKUIRERDL-UHFFFAOYSA-N 0 0 140.226 2.071 10 30 AEEERN Cc1cccc(C)c1OC/C=N/O 585138885 346752965 /nfs/dbraw/zinc/75/29/65/346752965.db2.gz MSXJMZYXQPWIDJ-IZZDOVSWSA-N 0 0 179.219 2.142 10 30 AEEERN C#CC(C)(C)CC#CC 585142583 346754041 /nfs/dbraw/zinc/75/40/41/346754041.db2.gz LXVFOHYFIZGNHC-UHFFFAOYSA-N 0 0 120.195 2.059 10 30 AEEERN C=CCCCn1cc(C=C)cn1 585142711 346754361 /nfs/dbraw/zinc/75/43/61/346754361.db2.gz HGAPJRMOJPOBFP-UHFFFAOYSA-N 0 0 162.236 2.492 10 30 AEEERN C#Cc1cnn(CC2CC(C)(C)C2)c1 585142745 346754692 /nfs/dbraw/zinc/75/46/92/346754692.db2.gz AOXKPVQKFIGMPJ-UHFFFAOYSA-N 0 0 188.274 2.301 10 30 AEEERN C=Cc1cnn(CC(=C)C)c1 585142864 346754809 /nfs/dbraw/zinc/75/48/09/346754809.db2.gz GCRIUKWHUVOMDW-UHFFFAOYSA-N 0 0 148.209 2.102 10 30 AEEERN C=CCCn1cc(C=C)cn1 585142890 346754921 /nfs/dbraw/zinc/75/49/21/346754921.db2.gz GZXYDBWAEBZBHY-UHFFFAOYSA-N 0 0 148.209 2.102 10 30 AEEERN C#Cc1cnn(CCc2ccccc2)c1 585142893 346755047 /nfs/dbraw/zinc/75/50/47/346755047.db2.gz HEXHRFWUFWGORG-UHFFFAOYSA-N 0 0 196.253 2.107 10 30 AEEERN C#CC(C)(C)C[C@@H]1CCOC1 585143240 346755621 /nfs/dbraw/zinc/75/56/21/346755621.db2.gz NGLIBIQCCCRFKZ-VIFPVBQESA-N 0 0 152.237 2.072 10 30 AEEERN C#CC(C)(C)C[C@H]1CCCOC1 585143280 346755640 /nfs/dbraw/zinc/75/56/40/346755640.db2.gz STCZROCAQXQAKD-SNVBAGLBSA-N 0 0 166.264 2.463 10 30 AEEERN C#CCCC(C)(C)C#C 585143242 346755688 /nfs/dbraw/zinc/75/56/88/346755688.db2.gz NJARXTGDJFCBCM-UHFFFAOYSA-N 0 0 120.195 2.059 10 30 AEEERN CC(C)(C#N)C[C@H]1CCCOC1 585143306 346755717 /nfs/dbraw/zinc/75/57/17/346755717.db2.gz ZEGKMHNZMCFWSN-SECBINFHSA-N 0 0 167.252 2.353 10 30 AEEERN C#CC(C)(C)CC(F)F 585143263 346755730 /nfs/dbraw/zinc/75/57/30/346755730.db2.gz QSSSMTDHODNTMO-UHFFFAOYSA-N 0 0 132.153 2.301 10 30 AEEERN C#CC(C)(C)C[C@@H]1CCCOC1 585143279 346755788 /nfs/dbraw/zinc/75/57/88/346755788.db2.gz STCZROCAQXQAKD-JTQLQIEISA-N 0 0 166.264 2.463 10 30 AEEERN C#CC(C)(C)C[C@H]1CCOC1 585143239 346755795 /nfs/dbraw/zinc/75/57/95/346755795.db2.gz NGLIBIQCCCRFKZ-SECBINFHSA-N 0 0 152.237 2.072 10 30 AEEERN C#CC(C)(C)Cc1c(C)noc1C 585143312 346755815 /nfs/dbraw/zinc/75/58/15/346755815.db2.gz ZRVCZBDRPFVQEC-UHFFFAOYSA-N 0 0 177.247 2.493 10 30 AEEERN Cc1nccnc1C#CC(C)(C)C 585143489 346755821 /nfs/dbraw/zinc/75/58/21/346755821.db2.gz AJYBBPTXHGITQL-UHFFFAOYSA-N 0 0 174.247 2.183 10 30 AEEERN O=Cc1cc(C#CC2CC2)cs1 585143599 346755824 /nfs/dbraw/zinc/75/58/24/346755824.db2.gz CQPWBSIWLPJTFC-UHFFFAOYSA-N 0 0 176.240 2.322 10 30 AEEERN C#CC(C)(C)CC1CCOCC1 585143291 346755835 /nfs/dbraw/zinc/75/58/35/346755835.db2.gz VHAYYEPQYHAFTI-UHFFFAOYSA-N 0 0 166.264 2.463 10 30 AEEERN Cc1cc(C#CC2CC2)ncc1F 585143622 346755840 /nfs/dbraw/zinc/75/58/40/346755840.db2.gz DDSNBKGTBIWGPC-UHFFFAOYSA-N 0 0 175.206 2.291 10 30 AEEERN CC(C)(C#N)C[C@@H]1CCCOC1 585143307 346755852 /nfs/dbraw/zinc/75/58/52/346755852.db2.gz ZEGKMHNZMCFWSN-VIFPVBQESA-N 0 0 167.252 2.353 10 30 AEEERN C#CC(C)(C)C1CCOCC1 585143243 346755861 /nfs/dbraw/zinc/75/58/61/346755861.db2.gz NRIFWPNHCOIZEJ-UHFFFAOYSA-N 0 0 152.237 2.072 10 30 AEEERN O=Cc1cc(C#CC2CC2)ccc1F 585143543 346755884 /nfs/dbraw/zinc/75/58/84/346755884.db2.gz BWFGERPQDXSCBW-UHFFFAOYSA-N 0 0 188.201 2.400 10 30 AEEERN Cc1ccncc1C#CC1CC1 585143679 346756163 /nfs/dbraw/zinc/75/61/63/346756163.db2.gz GFBAMBAVJYJWJP-UHFFFAOYSA-N 0 0 157.216 2.152 10 30 AEEERN CC(C)(C)C#Cc1ncccc1C=O 585143858 346756445 /nfs/dbraw/zinc/75/64/45/346756445.db2.gz QLWRWKRIBAWSDB-UHFFFAOYSA-N 0 0 187.242 2.292 10 30 AEEERN Cc1ccnc(C#CC(C)(C)C)n1 585143881 346756502 /nfs/dbraw/zinc/75/65/02/346756502.db2.gz RILXCUXIWUALJI-UHFFFAOYSA-N 0 0 174.247 2.183 10 30 AEEERN Cc1cnc(C#CC2CC2)c(F)c1 585143838 346756515 /nfs/dbraw/zinc/75/65/15/346756515.db2.gz PIZZERRFXPVIKM-UHFFFAOYSA-N 0 0 175.206 2.291 10 30 AEEERN Cc1ncnc(C#CC(C)(C)C)c1C 585143896 346756526 /nfs/dbraw/zinc/75/65/26/346756526.db2.gz RQZYNONQGBEUET-UHFFFAOYSA-N 0 0 188.274 2.491 10 30 AEEERN Cc1nccc(C#CC(C)(C)C)n1 585143862 346756552 /nfs/dbraw/zinc/75/65/52/346756552.db2.gz QOFWGNALQAXTJA-UHFFFAOYSA-N 0 0 174.247 2.183 10 30 AEEERN Cc1cc(C#CC2CC2)nc(C2CC2)n1 585143889 346756560 /nfs/dbraw/zinc/75/65/60/346756560.db2.gz RNQXTTRBQMOOQC-UHFFFAOYSA-N 0 0 198.269 2.424 10 30 AEEERN Cc1nc(C#CC2CC2)ccc1F 585143849 346756613 /nfs/dbraw/zinc/75/66/13/346756613.db2.gz QAYQFYPYLADQIL-UHFFFAOYSA-N 0 0 175.206 2.291 10 30 AEEERN Cc1cc(C#CC(C)(C)C)ncn1 585143905 346756622 /nfs/dbraw/zinc/75/66/22/346756622.db2.gz SDHNLWSVWQYCOB-UHFFFAOYSA-N 0 0 174.247 2.183 10 30 AEEERN CC(C)(C)C#Cc1ccc(C#N)cn1 585143999 346757138 /nfs/dbraw/zinc/75/71/38/346757138.db2.gz YEOIYCJUZCICRI-UHFFFAOYSA-N 0 0 184.242 2.351 10 30 AEEERN C#Cc1ccc(-c2cncn2C)s1 585144085 346757141 /nfs/dbraw/zinc/75/71/41/346757141.db2.gz BBPOVZUOUCDRJB-UHFFFAOYSA-N 0 0 188.255 2.130 10 30 AEEERN CC(C)(C)C#Cc1ncnc2[nH]ccc12 585144000 346757209 /nfs/dbraw/zinc/75/72/09/346757209.db2.gz YHOTZULXJBIEOY-UHFFFAOYSA-N 0 0 199.257 2.307 10 30 AEEERN Cc1ccc(C#CC2CC2)nc1 585144002 346757257 /nfs/dbraw/zinc/75/72/57/346757257.db2.gz YNBLYQIQUOLYDF-UHFFFAOYSA-N 0 0 157.216 2.152 10 30 AEEERN CC(C)(C)C#Cc1ccc(N)cn1 585144019 346757279 /nfs/dbraw/zinc/75/72/79/346757279.db2.gz ZOZAXFAZXZVMIL-UHFFFAOYSA-N 0 0 174.247 2.061 10 30 AEEERN C#Cc1cc(-c2ccnn2C)cs1 585144121 346757293 /nfs/dbraw/zinc/75/72/93/346757293.db2.gz CWCQPIWPPHZIJG-UHFFFAOYSA-N 0 0 188.255 2.130 10 30 AEEERN CC(C)(C)C#Cc1ccc2nccn2n1 585144003 346757298 /nfs/dbraw/zinc/75/72/98/346757298.db2.gz YNUVOAWUJPCYRE-UHFFFAOYSA-N 0 0 199.257 2.127 10 30 AEEERN Cc1cccc(C#CC2CC2)n1 585143995 346757317 /nfs/dbraw/zinc/75/73/17/346757317.db2.gz YBFLPQMLTLSESV-UHFFFAOYSA-N 0 0 157.216 2.152 10 30 AEEERN C#Cc1ccc(-c2ccnn2C)s1 585144258 346757640 /nfs/dbraw/zinc/75/76/40/346757640.db2.gz JGTDRUGHOFCHMC-UHFFFAOYSA-N 0 0 188.255 2.130 10 30 AEEERN C#Cc1cc(-c2cnn(C)c2)cs1 585144230 346757649 /nfs/dbraw/zinc/75/76/49/346757649.db2.gz IGLKPUSOMXMNPA-UHFFFAOYSA-N 0 0 188.255 2.130 10 30 AEEERN C#Cc1ccc(-c2cncn2C)cc1 585144505 346757677 /nfs/dbraw/zinc/75/76/77/346757677.db2.gz SSJWSPBTOOTDNQ-UHFFFAOYSA-N 0 0 182.226 2.068 10 30 AEEERN C#Cc1ccc(-c2ccnn2C)cc1 585144386 346757861 /nfs/dbraw/zinc/75/78/61/346757861.db2.gz MVAUBFOKFNYGOZ-UHFFFAOYSA-N 0 0 182.226 2.068 10 30 AEEERN C#Cc1ccc(-c2cncnc2)s1 585144405 346757897 /nfs/dbraw/zinc/75/78/97/346757897.db2.gz NNGOVPXIYDUYPA-UHFFFAOYSA-N 0 0 186.239 2.186 10 30 AEEERN Cc1ccnc(C#Cc2ccccc2)n1 585144798 346758830 /nfs/dbraw/zinc/75/88/30/346758830.db2.gz GLALDTDZICUATC-UHFFFAOYSA-N 0 0 194.237 2.185 10 30 AEEERN C#Cc1ncnc2ccc(Cl)cc12 585145406 346760232 /nfs/dbraw/zinc/76/02/32/346760232.db2.gz ROYJCINVHNPCBB-UHFFFAOYSA-N 0 0 188.617 2.265 10 30 AEEERN CN(CC#N)C(C)(C)c1ccccc1 585754609 346762268 /nfs/dbraw/zinc/76/22/68/346762268.db2.gz SJSCTTHIRCWLSR-UHFFFAOYSA-N 0 0 188.274 2.377 10 30 AEEERN N#Cc1ncccc1OCCCCF 586194158 346762921 /nfs/dbraw/zinc/76/29/21/346762921.db2.gz VSXPQADQIAPQDO-UHFFFAOYSA-N 0 0 194.209 2.082 10 30 AEEERN C=C(C)CCn1cc(C)c([N+](=O)[O-])n1 586194155 346762925 /nfs/dbraw/zinc/76/29/25/346762925.db2.gz PBZLWDCOVAOQQJ-UHFFFAOYSA-N 0 0 195.222 2.066 10 30 AEEERN CC[C@@H](C)CCC(=O)N(C)CCC#N 586752818 346763141 /nfs/dbraw/zinc/76/31/41/346763141.db2.gz FPLRSEHKAGCPNN-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CC[C@H](C)CCC(=O)N(C)CCC#N 586752817 346763225 /nfs/dbraw/zinc/76/32/25/346763225.db2.gz FPLRSEHKAGCPNN-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN C=CCCC(=O)N(C)Cc1ccoc1 588032419 346764616 /nfs/dbraw/zinc/76/46/16/346764616.db2.gz DRRIJENNKZXMKE-UHFFFAOYSA-N 0 0 193.246 2.204 10 30 AEEERN N#CCCCCCC(=O)N1CCCC1 588148001 346766053 /nfs/dbraw/zinc/76/60/53/346766053.db2.gz CVQQQQDVEYMNJS-UHFFFAOYSA-N 0 0 194.278 2.083 10 30 AEEERN CCN(CC)C(=O)CCCCCC#N 588249342 346766794 /nfs/dbraw/zinc/76/67/94/346766794.db2.gz CUYWNUHPHBOFJV-UHFFFAOYSA-N 0 0 196.294 2.329 10 30 AEEERN C=CCN(C)C(=O)CCCCCC#N 588690378 346767852 /nfs/dbraw/zinc/76/78/52/346767852.db2.gz AHNJPKCWWZKWQG-UHFFFAOYSA-N 0 0 194.278 2.105 10 30 AEEERN CN(C(=O)CCCC#N)C1CCCC1 589683624 346770782 /nfs/dbraw/zinc/77/07/82/346770782.db2.gz FRSDBXNEZRKAGN-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN CCCCN(CC)C(=O)CCCC#N 589684758 346770819 /nfs/dbraw/zinc/77/08/19/346770819.db2.gz CNLHSNBHQGGXOO-UHFFFAOYSA-N 0 0 196.294 2.329 10 30 AEEERN CCC[C@H](C)N(C)C(=O)CCCC#N 589690529 346770934 /nfs/dbraw/zinc/77/09/34/346770934.db2.gz ABTLLQZMBFVSGT-JTQLQIEISA-N 0 0 196.294 2.327 10 30 AEEERN CCN(CC(C)C)C(=O)CCCC#N 589689334 346771041 /nfs/dbraw/zinc/77/10/41/346771041.db2.gz HOMJLAPXBCUFSE-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC[C@@H]1CCCN1C(=O)CCCC#N 589698117 346771470 /nfs/dbraw/zinc/77/14/70/346771470.db2.gz GHRZVWYOSIAUPC-SNVBAGLBSA-N 0 0 194.278 2.081 10 30 AEEERN CC(C)[C@H](C)CNC(=O)CCCC#N 589703722 346771585 /nfs/dbraw/zinc/77/15/85/346771585.db2.gz HNAOKHZOXZSXLO-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN CCC[C@@H](C)N(C)C(=O)CCCC#N 589690537 346771593 /nfs/dbraw/zinc/77/15/93/346771593.db2.gz ABTLLQZMBFVSGT-SNVBAGLBSA-N 0 0 196.294 2.327 10 30 AEEERN C=CCCCN(C)C(=O)CCCC#N 589703563 346771627 /nfs/dbraw/zinc/77/16/27/346771627.db2.gz KKVGQUDZLLUKOA-UHFFFAOYSA-N 0 0 194.278 2.105 10 30 AEEERN CC(C)[C@@H](C)CNC(=O)CCCC#N 589703718 346771710 /nfs/dbraw/zinc/77/17/10/346771710.db2.gz HNAOKHZOXZSXLO-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@H]1CCCN1C(=O)CCCC#N 589698116 346771718 /nfs/dbraw/zinc/77/17/18/346771718.db2.gz GHRZVWYOSIAUPC-JTQLQIEISA-N 0 0 194.278 2.081 10 30 AEEERN CCC1(NC(=O)CCCC#N)CCC1 589781991 346772519 /nfs/dbraw/zinc/77/25/19/346772519.db2.gz LURIMGUGIWDWNL-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN CCC(C)(CC)NC(=O)CCCC#N 589774323 346772749 /nfs/dbraw/zinc/77/27/49/346772749.db2.gz BWNKULNOEXSKOD-UHFFFAOYSA-N 0 0 196.294 2.375 10 30 AEEERN Cc1nn(C)cc1-c1ccccc1C#N 589963654 346774811 /nfs/dbraw/zinc/77/48/11/346774811.db2.gz KNNFASPNWDLFBQ-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN CC#CC[N@H+](C)CCCC(C)(C)C#N 590209306 346778905 /nfs/dbraw/zinc/77/89/05/346778905.db2.gz ALTOTDWBCWFMQH-UHFFFAOYSA-N 0 0 192.306 2.271 10 30 AEEERN CC(C)CCCC(=O)N[C@H](C)CC#N 590626671 346785056 /nfs/dbraw/zinc/78/50/56/346785056.db2.gz GHEBDHJVFJOAON-SNVBAGLBSA-N 0 0 196.294 2.231 10 30 AEEERN CCN(CC#N)C(=O)CCCC(C)C 590624724 346785170 /nfs/dbraw/zinc/78/51/70/346785170.db2.gz PCWHQUBNQIKFEG-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC[C@H](C#N)NC(=O)CCCC(C)C 590627932 346785224 /nfs/dbraw/zinc/78/52/24/346785224.db2.gz ISAAFSYCVRMRHQ-SNVBAGLBSA-N 0 0 196.294 2.231 10 30 AEEERN CC(C)CCCC(=O)NC(C)(C)C#N 590634019 346785283 /nfs/dbraw/zinc/78/52/83/346785283.db2.gz HTPGRKZGBNCIBU-UHFFFAOYSA-N 0 0 196.294 2.231 10 30 AEEERN CC(C)CCCC(=O)N[C@@H](C)CC#N 590626670 346785539 /nfs/dbraw/zinc/78/55/39/346785539.db2.gz GHEBDHJVFJOAON-JTQLQIEISA-N 0 0 196.294 2.231 10 30 AEEERN CC[C@@H](C#N)NC(=O)CCCC(C)C 590627931 346785608 /nfs/dbraw/zinc/78/56/08/346785608.db2.gz ISAAFSYCVRMRHQ-JTQLQIEISA-N 0 0 196.294 2.231 10 30 AEEERN CC(C)CCCC(=O)N(C)CCC#N 590625225 346785613 /nfs/dbraw/zinc/78/56/13/346785613.db2.gz LXMBAWMAEFJALH-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC(C)CCCC(=O)NC[C@H](C)C#N 590635320 346785996 /nfs/dbraw/zinc/78/59/96/346785996.db2.gz CNUHLKGNEABEIV-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN CC(C)CCCC(=O)NC[C@@H](C)C#N 590635319 346786089 /nfs/dbraw/zinc/78/60/89/346786089.db2.gz CNUHLKGNEABEIV-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN C=CCCCCN(CC)CC#N 590690328 346787513 /nfs/dbraw/zinc/78/75/13/346787513.db2.gz IBKCGQUGQIEPFL-UHFFFAOYSA-N 0 0 166.268 2.188 10 30 AEEERN C=CCCCCN(CC#N)C1CC1 590690313 346788016 /nfs/dbraw/zinc/78/80/16/346788016.db2.gz AYMQJMIEBKQILI-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN CC(C)CCCC(=O)NCCCC#N 590703672 346788175 /nfs/dbraw/zinc/78/81/75/346788175.db2.gz JZEXWMDNWNBWEP-UHFFFAOYSA-N 0 0 196.294 2.233 10 30 AEEERN C=C(C)[C@H](CO)SCC(C)C 590709446 346788689 /nfs/dbraw/zinc/78/86/89/346788689.db2.gz OBOCDHAIYBABQH-VIFPVBQESA-N 0 0 174.309 2.313 10 30 AEEERN C=C(C)[C@@H](CO)SCC(C)C 590709439 346788961 /nfs/dbraw/zinc/78/89/61/346788961.db2.gz OBOCDHAIYBABQH-SECBINFHSA-N 0 0 174.309 2.313 10 30 AEEERN C=CCCCCSCC(=O)OC 590713024 346788992 /nfs/dbraw/zinc/78/89/92/346788992.db2.gz DYKDFHOHWLWRRK-UHFFFAOYSA-N 0 0 188.292 2.249 10 30 AEEERN CCC#C[C@H](C)S[C@@H](C)[C@@H](C)O 590726889 346790123 /nfs/dbraw/zinc/79/01/23/346790123.db2.gz GDFIHRSPLQHPIE-AEJSXWLSSA-N 0 0 186.320 2.291 10 30 AEEERN CCC#C[C@H](C)S[C@@H](C)[C@H](C)O 590726890 346790134 /nfs/dbraw/zinc/79/01/34/346790134.db2.gz GDFIHRSPLQHPIE-GUBZILKMSA-N 0 0 186.320 2.291 10 30 AEEERN CCC#C[C@H](C)S[C@H](C)[C@@H](C)O 590726891 346790239 /nfs/dbraw/zinc/79/02/39/346790239.db2.gz GDFIHRSPLQHPIE-IVZWLZJFSA-N 0 0 186.320 2.291 10 30 AEEERN CCC#C[C@H](C)S[C@H](C)[C@H](C)O 590726892 346790241 /nfs/dbraw/zinc/79/02/41/346790241.db2.gz GDFIHRSPLQHPIE-LPEHRKFASA-N 0 0 186.320 2.291 10 30 AEEERN C=CCCCCn1ccnc1C#N 590733689 346791065 /nfs/dbraw/zinc/79/10/65/346791065.db2.gz HGMFAANUEFAKIB-UHFFFAOYSA-N 0 0 175.235 2.111 10 30 AEEERN C=CCOCCSC1CCC1 590739620 346791610 /nfs/dbraw/zinc/79/16/10/346791610.db2.gz DFDMBEHUWVUZAC-UHFFFAOYSA-N 0 0 172.293 2.475 10 30 AEEERN C=C(C)[C@@H](CO)SC1CCC1 590740074 346792179 /nfs/dbraw/zinc/79/21/79/346792179.db2.gz WLGPRRGEVHKITJ-SECBINFHSA-N 0 0 172.293 2.209 10 30 AEEERN C=C(C)[C@H](CO)SC1CCC1 590740075 346792409 /nfs/dbraw/zinc/79/24/09/346792409.db2.gz WLGPRRGEVHKITJ-VIFPVBQESA-N 0 0 172.293 2.209 10 30 AEEERN CC/C=C/CNC(=O)CC(C)(C)C#N 590772841 346794524 /nfs/dbraw/zinc/79/45/24/346794524.db2.gz GHZKFRPGZUEHFK-AATRIKPKSA-N 0 0 194.278 2.009 10 30 AEEERN CC/C=C\CNC(=O)CC(C)(C)C#N 590772842 346794618 /nfs/dbraw/zinc/79/46/18/346794618.db2.gz GHZKFRPGZUEHFK-WAYWQWQTSA-N 0 0 194.278 2.009 10 30 AEEERN C=CCC1(C(=O)N(C)C#N)CCCC1 590990534 346798579 /nfs/dbraw/zinc/79/85/79/346798579.db2.gz CEAMPYFILKFSAW-UHFFFAOYSA-N 0 0 192.262 2.062 10 30 AEEERN CC(C)C[C@H](C)C(=O)N(C)[C@@H](C)C#N 590994034 346799285 /nfs/dbraw/zinc/79/92/85/346799285.db2.gz CRWRYKWZWNQWCV-UWVGGRQHSA-N 0 0 196.294 2.039 10 30 AEEERN CC(C)C[C@H](C)C(=O)N(C)[C@H](C)C#N 590994035 346799347 /nfs/dbraw/zinc/79/93/47/346799347.db2.gz CRWRYKWZWNQWCV-VHSXEESVSA-N 0 0 196.294 2.039 10 30 AEEERN CC(C)C[C@@H](C)C(=O)N(C)[C@@H](C)C#N 590994036 346799393 /nfs/dbraw/zinc/79/93/93/346799393.db2.gz CRWRYKWZWNQWCV-ZJUUUORDSA-N 0 0 196.294 2.039 10 30 AEEERN CC(C)C[C@@H](C)C(=O)N(C)[C@H](C)C#N 590994033 346799402 /nfs/dbraw/zinc/79/94/02/346799402.db2.gz CRWRYKWZWNQWCV-NXEZZACHSA-N 0 0 196.294 2.039 10 30 AEEERN CC(C)CCCC(=O)N(C)[C@H](C)C#N 590994291 346800007 /nfs/dbraw/zinc/80/00/07/346800007.db2.gz IRTBNPWSQXKOPG-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN CCC(C)(C)CC(=O)N(C)[C@H](C)C#N 590994982 346800081 /nfs/dbraw/zinc/80/00/81/346800081.db2.gz FVUSCZBWNDLSIJ-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC(C)(C)CC(=O)N(C)[C@@H](C)C#N 590994983 346800152 /nfs/dbraw/zinc/80/01/52/346800152.db2.gz FVUSCZBWNDLSIJ-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN C[C@@H](CCC#N)[N@@H+]1CCCSCC1 591020562 346800624 /nfs/dbraw/zinc/80/06/24/346800624.db2.gz OQAZRCADFGNYHQ-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN C[C@H](CCC#N)[N@@H+]1CCCSCC1 591020567 346800838 /nfs/dbraw/zinc/80/08/38/346800838.db2.gz OQAZRCADFGNYHQ-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN N#CCCSCCc1cncs1 591132962 346807079 /nfs/dbraw/zinc/80/70/79/346807079.db2.gz HKZPSTGXDYHIQR-UHFFFAOYSA-N 0 0 198.316 2.332 10 30 AEEERN N#CCCSCCc1cscn1 591132943 346807164 /nfs/dbraw/zinc/80/71/64/346807164.db2.gz ASYULWCYDNYZQY-UHFFFAOYSA-N 0 0 198.316 2.332 10 30 AEEERN CCOC1CC(CSCCC#N)C1 591132942 346807166 /nfs/dbraw/zinc/80/71/66/346807166.db2.gz AOAGMEXXWDHDPG-UHFFFAOYSA-N 0 0 199.319 2.448 10 30 AEEERN COCCCCSCCC#N 591132947 346807210 /nfs/dbraw/zinc/80/72/10/346807210.db2.gz BMXJGTHYUOJBRR-UHFFFAOYSA-N 0 0 173.281 2.060 10 30 AEEERN N#CCCSCCC1CCOCC1 591132955 346807327 /nfs/dbraw/zinc/80/73/27/346807327.db2.gz DUCXUEIJQRTDIA-UHFFFAOYSA-N 0 0 199.319 2.450 10 30 AEEERN CCC#C[C@H](C)SCCC#N 591133711 346807700 /nfs/dbraw/zinc/80/77/00/346807700.db2.gz ACLDOTPUULCLHY-VIFPVBQESA-N 0 0 167.277 2.435 10 30 AEEERN CCC#C[C@@H](C)SCCC#N 591133710 346807710 /nfs/dbraw/zinc/80/77/10/346807710.db2.gz ACLDOTPUULCLHY-SECBINFHSA-N 0 0 167.277 2.435 10 30 AEEERN N#CCCSCC[C@@H]1CCCO1 591133715 346807712 /nfs/dbraw/zinc/80/77/12/346807712.db2.gz AOZOJSCDLDGOIH-VIFPVBQESA-N 0 0 185.292 2.202 10 30 AEEERN C[C@H]1C[C@H](CSCCC#N)CCO1 591133718 346807726 /nfs/dbraw/zinc/80/77/26/346807726.db2.gz BRHYOMGSPCYOAL-VHSXEESVSA-N 0 0 199.319 2.448 10 30 AEEERN N#CCCSCC1CC1 591133726 346807734 /nfs/dbraw/zinc/80/77/34/346807734.db2.gz CSUWAQQVZYKNRO-UHFFFAOYSA-N 0 0 141.239 2.043 10 30 AEEERN CC(C)OCCSCCC#N 591133721 346807743 /nfs/dbraw/zinc/80/77/43/346807743.db2.gz CDMGBYKQEDDSNU-UHFFFAOYSA-N 0 0 173.281 2.058 10 30 AEEERN N#CCCSCCC1CC1 591133720 346807748 /nfs/dbraw/zinc/80/77/48/346807748.db2.gz CCDUIQNWWHZVHG-UHFFFAOYSA-N 0 0 155.266 2.433 10 30 AEEERN C[C@@H]1C[C@@H](CSCCC#N)CCO1 591133719 346807760 /nfs/dbraw/zinc/80/77/60/346807760.db2.gz BRHYOMGSPCYOAL-ZJUUUORDSA-N 0 0 199.319 2.448 10 30 AEEERN C[C@@H]1C[C@H](CSCCC#N)CCO1 591133716 346807776 /nfs/dbraw/zinc/80/77/76/346807776.db2.gz BRHYOMGSPCYOAL-NXEZZACHSA-N 0 0 199.319 2.448 10 30 AEEERN CC(C)(C)OCCSCCC#N 591133743 346807782 /nfs/dbraw/zinc/80/77/82/346807782.db2.gz HVGALIMKMRJVDM-UHFFFAOYSA-N 0 0 187.308 2.448 10 30 AEEERN N#CCCSCC[C@H]1CCCO1 591133714 346807790 /nfs/dbraw/zinc/80/77/90/346807790.db2.gz AOZOJSCDLDGOIH-SECBINFHSA-N 0 0 185.292 2.202 10 30 AEEERN COC(C)(C)CCSCCC#N 591133745 346807801 /nfs/dbraw/zinc/80/78/01/346807801.db2.gz JHANSWIMVRTLNM-UHFFFAOYSA-N 0 0 187.308 2.448 10 30 AEEERN C[C@H]1C[C@@H](CSCCC#N)CCO1 591133717 346807805 /nfs/dbraw/zinc/80/78/05/346807805.db2.gz BRHYOMGSPCYOAL-UWVGGRQHSA-N 0 0 199.319 2.448 10 30 AEEERN N#CCCSCC(F)(F)F 591134183 346808511 /nfs/dbraw/zinc/80/85/11/346808511.db2.gz BJLWTLCPFBBDRM-UHFFFAOYSA-N 0 0 169.171 2.196 10 30 AEEERN CCc1cc(SCCC#N)ncn1 591184027 346809120 /nfs/dbraw/zinc/80/91/20/346809120.db2.gz AUOUZPHEDQNBLF-UHFFFAOYSA-N 0 0 193.275 2.045 10 30 AEEERN CC(C)(C#N)CC[S@](=O)C1CCC1 591249800 346810044 /nfs/dbraw/zinc/81/00/44/346810044.db2.gz GFAKDCVDXZOLEF-ZDUSSCGKSA-N 0 0 199.319 2.227 10 30 AEEERN CC(C)(C)C[S@@](=O)CCCC#N 591248179 346810116 /nfs/dbraw/zinc/81/01/16/346810116.db2.gz DGFACRRPXJOORT-LBPRGKRZSA-N 0 0 187.308 2.085 10 30 AEEERN CC(C)(C)C[S@](=O)CCCC#N 591248178 346810279 /nfs/dbraw/zinc/81/02/79/346810279.db2.gz DGFACRRPXJOORT-GFCCVEGCSA-N 0 0 187.308 2.085 10 30 AEEERN CC(C)(C#N)CC[S@@](=O)C1CCC1 591249799 346810326 /nfs/dbraw/zinc/81/03/26/346810326.db2.gz GFAKDCVDXZOLEF-CYBMUJFWSA-N 0 0 199.319 2.227 10 30 AEEERN CC[C@@H](CSCCC#N)OC 591338774 346810841 /nfs/dbraw/zinc/81/08/41/346810841.db2.gz HVHYEXCMGGWXOB-QMMMGPOBSA-N 0 0 173.281 2.058 10 30 AEEERN CC[C@H](CSCCC#N)OC 591338773 346810967 /nfs/dbraw/zinc/81/09/67/346810967.db2.gz HVHYEXCMGGWXOB-MRVPVSSYSA-N 0 0 173.281 2.058 10 30 AEEERN C=CCSCc1cn(C)nc1C 591382696 346813937 /nfs/dbraw/zinc/81/39/37/346813937.db2.gz HEYFNVPHWAYACE-UHFFFAOYSA-N 0 0 182.292 2.148 10 30 AEEERN C=CCSCc1nc(C#N)cs1 591382717 346814073 /nfs/dbraw/zinc/81/40/73/346814073.db2.gz WMFAWEXNDTUZCH-UHFFFAOYSA-N 0 0 196.300 2.434 10 30 AEEERN C=CCSCCc1cnn(CC)c1 591382686 346814100 /nfs/dbraw/zinc/81/41/00/346814100.db2.gz BJMSULVEPGTVLE-UHFFFAOYSA-N 0 0 196.319 2.365 10 30 AEEERN C=C(C)CSCc1cnnn1CC 591385780 346814426 /nfs/dbraw/zinc/81/44/26/346814426.db2.gz YFEJYMLXTSJURO-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN COC[C@@H](C)SCC1(C#N)CCC1 591385753 346814492 /nfs/dbraw/zinc/81/44/92/346814492.db2.gz BXQZLARBSIEPRP-SECBINFHSA-N 0 0 199.319 2.448 10 30 AEEERN COC[C@H](C)SCC1(C#N)CCC1 591385754 346814528 /nfs/dbraw/zinc/81/45/28/346814528.db2.gz BXQZLARBSIEPRP-VIFPVBQESA-N 0 0 199.319 2.448 10 30 AEEERN C=CCCSCc1cnnn1CC 591385801 346814706 /nfs/dbraw/zinc/81/47/06/346814706.db2.gz MGUDHDLVIBRDNP-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN C=C(C)CCS[C@@H]1CCOC1 591391830 346814988 /nfs/dbraw/zinc/81/49/88/346814988.db2.gz WDTWEDAIGHMZFF-SECBINFHSA-N 0 0 172.293 2.475 10 30 AEEERN CO[C@H](C)CSCC1(C#N)CCC1 591388970 346815146 /nfs/dbraw/zinc/81/51/46/346815146.db2.gz HXIAIHBGHFDSIQ-SECBINFHSA-N 0 0 199.319 2.448 10 30 AEEERN C=C(C)CCS[C@H]1CCOC1 591391831 346815156 /nfs/dbraw/zinc/81/51/56/346815156.db2.gz WDTWEDAIGHMZFF-VIFPVBQESA-N 0 0 172.293 2.475 10 30 AEEERN CO[C@@H](C)CSCC1(C#N)CCC1 591388971 346815207 /nfs/dbraw/zinc/81/52/07/346815207.db2.gz HXIAIHBGHFDSIQ-VIFPVBQESA-N 0 0 199.319 2.448 10 30 AEEERN C=CCSC[C@@H](OC)C1CC1 591622976 346817997 /nfs/dbraw/zinc/81/79/97/346817997.db2.gz ROKVKWSHHNODJC-SECBINFHSA-N 0 0 172.293 2.331 10 30 AEEERN CO[C@@H](CSCCCC#N)C1CC1 591624499 346818165 /nfs/dbraw/zinc/81/81/65/346818165.db2.gz HPNIEWIHMYBTBW-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN CC#CCSC[C@@H](OC)C1CC1 591624935 346818215 /nfs/dbraw/zinc/81/82/15/346818215.db2.gz VJQWMYIDRBMCAI-SNVBAGLBSA-N 0 0 184.304 2.168 10 30 AEEERN CO[C@H](CSCCCC#N)C1CC1 591624526 346818277 /nfs/dbraw/zinc/81/82/77/346818277.db2.gz HPNIEWIHMYBTBW-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN C=CCSC[C@H](OC)C1CC1 591622978 346818295 /nfs/dbraw/zinc/81/82/95/346818295.db2.gz ROKVKWSHHNODJC-VIFPVBQESA-N 0 0 172.293 2.331 10 30 AEEERN CC#CCSC[C@H](OC)C1CC1 591624934 346818426 /nfs/dbraw/zinc/81/84/26/346818426.db2.gz VJQWMYIDRBMCAI-JTQLQIEISA-N 0 0 184.304 2.168 10 30 AEEERN N#CCN1CCCC[C@H]1C1CCC1 592197661 346828247 /nfs/dbraw/zinc/82/82/47/346828247.db2.gz GUQURXQVBVKOGE-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN N#CCN1CCCC[C@@H]1C1CCC1 592197659 346828496 /nfs/dbraw/zinc/82/84/96/346828496.db2.gz GUQURXQVBVKOGE-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN CO[C@H](CSCCC#N)C1CC1 592355188 346829590 /nfs/dbraw/zinc/82/95/90/346829590.db2.gz XJUFJYAHMIRESM-SECBINFHSA-N 0 0 185.292 2.058 10 30 AEEERN N#CCCSCCC[C@H]1CCOC1 592355194 346829612 /nfs/dbraw/zinc/82/96/12/346829612.db2.gz YKYFSUQFQWQUID-JTQLQIEISA-N 0 0 199.319 2.450 10 30 AEEERN N#CCCSCCC[C@@H]1CCOC1 592355195 346829694 /nfs/dbraw/zinc/82/96/94/346829694.db2.gz YKYFSUQFQWQUID-SNVBAGLBSA-N 0 0 199.319 2.450 10 30 AEEERN CO[C@@H](CSCCC#N)C1CC1 592355189 346829917 /nfs/dbraw/zinc/82/99/17/346829917.db2.gz XJUFJYAHMIRESM-VIFPVBQESA-N 0 0 185.292 2.058 10 30 AEEERN N#CCCOc1cccc2c1CCC2 592446501 346831431 /nfs/dbraw/zinc/83/14/31/346831431.db2.gz BFOOCAVWLNVMHB-UHFFFAOYSA-N 0 0 187.242 2.468 10 30 AEEERN C=CCSCCCc1nc(C)no1 592452206 346832037 /nfs/dbraw/zinc/83/20/37/346832037.db2.gz HCZPNBTVLTYVAM-UHFFFAOYSA-N 0 0 198.291 2.230 10 30 AEEERN CCc1cccc(CNCCC#N)c1 592997890 346834869 /nfs/dbraw/zinc/83/48/69/346834869.db2.gz LOLPUGBOWGBPSN-UHFFFAOYSA-N 0 0 188.274 2.252 10 30 AEEERN CCCC(C)(C)C(=O)N(CC)CC#N 593038074 346835803 /nfs/dbraw/zinc/83/58/03/346835803.db2.gz HRAHQBVIHAHDIO-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC[C@H](NCC#N)c1ccccc1F 593062391 346837243 /nfs/dbraw/zinc/83/72/43/346837243.db2.gz BXOIUQRANACLOQ-NSHDSACASA-N 0 0 192.237 2.390 10 30 AEEERN C[C@@H](NC(=O)CCCC#N)C(C)(C)C 593341071 346838768 /nfs/dbraw/zinc/83/87/68/346838768.db2.gz JCHPZCUEWQKCMX-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN C=C(C)COc1nc(C(C)(C)C)no1 593615109 346841059 /nfs/dbraw/zinc/84/10/59/346841059.db2.gz BDEGBQGXYZHAHZ-UHFFFAOYSA-N 0 0 196.250 2.322 10 30 AEEERN N#CC1(CNCC2(F)CC2)CCCC1 593654611 346841310 /nfs/dbraw/zinc/84/13/10/346841310.db2.gz KONWLOKKUVJCOH-UHFFFAOYSA-N 0 0 196.269 2.162 10 30 AEEERN CCN(C(=O)CCCCC#N)C1CC1 593957222 346842890 /nfs/dbraw/zinc/84/28/90/346842890.db2.gz KVRTWLLCYGROEO-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN CCCN(CC)C(=O)CCCCC#N 593960046 346842961 /nfs/dbraw/zinc/84/29/61/346842961.db2.gz KNOMXMZTWAJMKS-UHFFFAOYSA-N 0 0 196.294 2.329 10 30 AEEERN CCC(C)(C)NC(=O)CCCCC#N 593942186 346842975 /nfs/dbraw/zinc/84/29/75/346842975.db2.gz KEOUPAVWBNSMGV-UHFFFAOYSA-N 0 0 196.294 2.375 10 30 AEEERN CC(C)CCNC(=O)CCCCC#N 593937577 346842995 /nfs/dbraw/zinc/84/29/95/346842995.db2.gz RGUKKUCBXXFGLN-UHFFFAOYSA-N 0 0 196.294 2.233 10 30 AEEERN N#CCCCCC(=O)NC1CCCC1 593940161 346843021 /nfs/dbraw/zinc/84/30/21/346843021.db2.gz LVLBVQKLEHKIMA-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN CCCCCNC(=O)CCCCC#N 593933598 346843036 /nfs/dbraw/zinc/84/30/36/346843036.db2.gz FUUXYBGLQXNWJT-UHFFFAOYSA-N 0 0 196.294 2.377 10 30 AEEERN CCC[C@@H](C)NC(=O)CCCCC#N 593940038 346843095 /nfs/dbraw/zinc/84/30/95/346843095.db2.gz FINMFSHPVMIFRO-SNVBAGLBSA-N 0 0 196.294 2.375 10 30 AEEERN CCC[C@H](C)NC(=O)CCCCC#N 593940037 346843111 /nfs/dbraw/zinc/84/31/11/346843111.db2.gz FINMFSHPVMIFRO-JTQLQIEISA-N 0 0 196.294 2.375 10 30 AEEERN CCCCN(C)C(=O)CCCCC#N 593958688 346843172 /nfs/dbraw/zinc/84/31/72/346843172.db2.gz MHESRRFBOUXDMD-UHFFFAOYSA-N 0 0 196.294 2.329 10 30 AEEERN CC(C)CN(C)C(=O)CCCCC#N 593960189 346843256 /nfs/dbraw/zinc/84/32/56/346843256.db2.gz OIMSKYHFKSQVOM-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN CC[C@@H](C)N(C)C(=O)CCCCC#N 593960351 346843262 /nfs/dbraw/zinc/84/32/62/346843262.db2.gz WJMNUPYOZIUZGY-SNVBAGLBSA-N 0 0 196.294 2.327 10 30 AEEERN CCC(CC)NC(=O)CCCCC#N 593939241 346843312 /nfs/dbraw/zinc/84/33/12/346843312.db2.gz FBCIJFUXJJAGAA-UHFFFAOYSA-N 0 0 196.294 2.375 10 30 AEEERN CC[C@H](C)N(C)C(=O)CCCCC#N 593960350 346843316 /nfs/dbraw/zinc/84/33/16/346843316.db2.gz WJMNUPYOZIUZGY-JTQLQIEISA-N 0 0 196.294 2.327 10 30 AEEERN CC(C)(C)CNC(=O)CCCCC#N 593967432 346843336 /nfs/dbraw/zinc/84/33/36/346843336.db2.gz RVBNTVVSGBWZLJ-UHFFFAOYSA-N 0 0 196.294 2.233 10 30 AEEERN CCC[C@H](C)N1CC(C)(C#N)C1 593980461 346843664 /nfs/dbraw/zinc/84/36/64/346843664.db2.gz HGBBEFIFNMGTPG-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN CCC[C@@H](C)N1CC(C)(C#N)C1 593980460 346843906 /nfs/dbraw/zinc/84/39/06/346843906.db2.gz HGBBEFIFNMGTPG-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CN(C(=O)CCCCC#N)C1CCC1 593985648 346844376 /nfs/dbraw/zinc/84/43/76/346844376.db2.gz JDXSBTUPLQOHCF-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN C=C(C)CN(C)C(=O)CCCCC#N 594000658 346844506 /nfs/dbraw/zinc/84/45/06/346844506.db2.gz GFTOZUGDGHSHHL-UHFFFAOYSA-N 0 0 194.278 2.105 10 30 AEEERN C[C@@H]1CCCN1C(=O)CCCCC#N 593987510 346844631 /nfs/dbraw/zinc/84/46/31/346844631.db2.gz VLTJIKRFTYDUCB-SNVBAGLBSA-N 0 0 194.278 2.081 10 30 AEEERN C[C@H]1CCCN1C(=O)CCCCC#N 593987509 346844892 /nfs/dbraw/zinc/84/48/92/346844892.db2.gz VLTJIKRFTYDUCB-JTQLQIEISA-N 0 0 194.278 2.081 10 30 AEEERN CC(C)=CCNC(=O)CCCCC#N 594010320 346845092 /nfs/dbraw/zinc/84/50/92/346845092.db2.gz IMUISWLNKGJPNO-UHFFFAOYSA-N 0 0 194.278 2.153 10 30 AEEERN CN(C(=O)CCCCC#N)C(C)(C)C 594056044 346845694 /nfs/dbraw/zinc/84/56/94/346845694.db2.gz RSDAGGGGCNUJSG-UHFFFAOYSA-N 0 0 196.294 2.327 10 30 AEEERN CC[C@H](C#N)N(C)C(=O)C(C)(C)CC 594093540 346845759 /nfs/dbraw/zinc/84/57/59/346845759.db2.gz BYQCLTUUTXMJOF-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H](C#N)N(C)C(=O)C(C)(C)CC 594093541 346846006 /nfs/dbraw/zinc/84/60/06/346846006.db2.gz BYQCLTUUTXMJOF-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H](C#N)N(C)C(=O)CC(C)(C)C 594100565 346846400 /nfs/dbraw/zinc/84/64/00/346846400.db2.gz IFTHFTDWTBJBFT-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN CCC(CC)C(=O)N(C)[C@H](C#N)CC 594100536 346846432 /nfs/dbraw/zinc/84/64/32/346846432.db2.gz HQSTYHRFEGFQLF-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@H](C#N)N(C)C(=O)CC(C)(C)C 594100564 346846520 /nfs/dbraw/zinc/84/65/20/346846520.db2.gz IFTHFTDWTBJBFT-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC(CC)C(=O)N(C)[C@@H](C#N)CC 594100537 346846570 /nfs/dbraw/zinc/84/65/70/346846570.db2.gz HQSTYHRFEGFQLF-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN C[C@@H]1C[C@@H](C)N1C(=O)CCCCC#N 594350634 346846966 /nfs/dbraw/zinc/84/69/66/346846966.db2.gz JXZCKNWPJIMFRQ-NXEZZACHSA-N 0 0 194.278 2.080 10 30 AEEERN C=CC[C@H](C)NC(=O)CCCCC#N 594293221 346846986 /nfs/dbraw/zinc/84/69/86/346846986.db2.gz BXPQPPPANADCAI-JTQLQIEISA-N 0 0 194.278 2.151 10 30 AEEERN C=CC[C@@H](C)NC(=O)CCCCC#N 594293222 346847035 /nfs/dbraw/zinc/84/70/35/346847035.db2.gz BXPQPPPANADCAI-SNVBAGLBSA-N 0 0 194.278 2.151 10 30 AEEERN CC1(NC(=O)CCCCC#N)CCC1 594329870 346847042 /nfs/dbraw/zinc/84/70/42/346847042.db2.gz QVUFKMHZFJMBQH-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN C[C@H]1C[C@H](C)N1C(=O)CCCCC#N 594350635 346847335 /nfs/dbraw/zinc/84/73/35/346847335.db2.gz JXZCKNWPJIMFRQ-UWVGGRQHSA-N 0 0 194.278 2.080 10 30 AEEERN C[C@H]1C[C@@H](C)N1C(=O)CCCCC#N 594350628 346847515 /nfs/dbraw/zinc/84/75/15/346847515.db2.gz JXZCKNWPJIMFRQ-AOOOYVTPSA-N 0 0 194.278 2.080 10 30 AEEERN C=CCCCCCNC(=O)[C@H](C)C#N 594403995 346848189 /nfs/dbraw/zinc/84/81/89/346848189.db2.gz PGEUHAHPOIRGBK-SNVBAGLBSA-N 0 0 194.278 2.009 10 30 AEEERN C=CCCCCCNC(=O)[C@@H](C)C#N 594403991 346848312 /nfs/dbraw/zinc/84/83/12/346848312.db2.gz PGEUHAHPOIRGBK-JTQLQIEISA-N 0 0 194.278 2.009 10 30 AEEERN CC(C)c1noc(CCCCC#N)n1 594532288 346848686 /nfs/dbraw/zinc/84/86/86/346848686.db2.gz MAPZDKDMINZTTC-UHFFFAOYSA-N 0 0 193.250 2.429 10 30 AEEERN N#Cc1ncccc1SCCF 594450526 346848878 /nfs/dbraw/zinc/84/88/78/346848878.db2.gz ATJZSANRUCHKSZ-UHFFFAOYSA-N 0 0 182.223 2.015 10 30 AEEERN C=C(C)CSCCC(C)(C)O 594454363 346848968 /nfs/dbraw/zinc/84/89/68/346848968.db2.gz BNYMMFVIUSNUJF-UHFFFAOYSA-N 0 0 174.309 2.457 10 30 AEEERN CCc1cnn(CC2(C#N)CCC2)c1 594493356 346849011 /nfs/dbraw/zinc/84/90/11/346849011.db2.gz FHNRUBFIPQEGQE-UHFFFAOYSA-N 0 0 189.262 2.139 10 30 AEEERN N#CCCCCc1nc(C2CC2)no1 594533895 346849031 /nfs/dbraw/zinc/84/90/31/346849031.db2.gz RUWDOYQEMSKDAQ-UHFFFAOYSA-N 0 0 191.234 2.183 10 30 AEEERN C=CCCn1cc(CSCC)nn1 594556021 346849432 /nfs/dbraw/zinc/84/94/32/346849432.db2.gz JKCGQBCUTZTEGX-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN C=CCSCc1coc(C)n1 594559734 346849511 /nfs/dbraw/zinc/84/95/11/346849511.db2.gz VIXHMFOHGGDSSN-UHFFFAOYSA-N 0 0 169.249 2.402 10 30 AEEERN CC#CCSCc1coc(C)n1 594569661 346849589 /nfs/dbraw/zinc/84/95/89/346849589.db2.gz FPAHTEFZMXDAOK-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN CC(C)Cc1noc([C@H](C)CC#N)n1 594731558 346851033 /nfs/dbraw/zinc/85/10/33/346851033.db2.gz FCTIGPXIDPOHHQ-MRVPVSSYSA-N 0 0 193.250 2.285 10 30 AEEERN CC(C)Cc1noc([C@@H](C)CC#N)n1 594731559 346851241 /nfs/dbraw/zinc/85/12/41/346851241.db2.gz FCTIGPXIDPOHHQ-QMMMGPOBSA-N 0 0 193.250 2.285 10 30 AEEERN C[C@H](CC#N)c1nc(C(C)(C)C)no1 594732571 346851320 /nfs/dbraw/zinc/85/13/20/346851320.db2.gz RIVJWMMMHDSQCC-SSDOTTSWSA-N 0 0 193.250 2.384 10 30 AEEERN C[C@@H](CC#N)c1nc(CC2CC2)no1 594732080 346851340 /nfs/dbraw/zinc/85/13/40/346851340.db2.gz NRTXAEUWJAJAHW-ZETCQYMHSA-N 0 0 191.234 2.039 10 30 AEEERN C[C@@H](CC#N)c1nc(C(C)(C)C)no1 594732572 346851397 /nfs/dbraw/zinc/85/13/97/346851397.db2.gz RIVJWMMMHDSQCC-ZETCQYMHSA-N 0 0 193.250 2.384 10 30 AEEERN C[C@H](CC#N)c1nc([C@H]2C[C@H]2C)no1 594734424 346851428 /nfs/dbraw/zinc/85/14/28/346851428.db2.gz ZNYNEGLINQIYJG-PRJMDXOYSA-N 0 0 191.234 2.210 10 30 AEEERN C[C@H]1C[C@H]1c1noc([C@H](C)CC#N)n1 594734423 346851508 /nfs/dbraw/zinc/85/15/08/346851508.db2.gz ZNYNEGLINQIYJG-GJMOJQLCSA-N 0 0 191.234 2.210 10 30 AEEERN C[C@H](CC#N)c1nc(CC2CC2)no1 594732079 346851521 /nfs/dbraw/zinc/85/15/21/346851521.db2.gz NRTXAEUWJAJAHW-SSDOTTSWSA-N 0 0 191.234 2.039 10 30 AEEERN C[C@H]1C[C@@H]1c1noc([C@H](C)CC#N)n1 594734422 346851529 /nfs/dbraw/zinc/85/15/29/346851529.db2.gz ZNYNEGLINQIYJG-CSMHCCOUSA-N 0 0 191.234 2.210 10 30 AEEERN CC(C)c1noc([C@H](C)CC#N)n1 594734242 346851546 /nfs/dbraw/zinc/85/15/46/346851546.db2.gz UIVMFWAKNDFQGT-SSDOTTSWSA-N 0 0 179.223 2.210 10 30 AEEERN C[C@H](CC#N)c1nc([C@@H]2C[C@H]2C)no1 594734421 346851562 /nfs/dbraw/zinc/85/15/62/346851562.db2.gz ZNYNEGLINQIYJG-BWZBUEFSSA-N 0 0 191.234 2.210 10 30 AEEERN CSCC(C)(C)CC#N 594885534 346852859 /nfs/dbraw/zinc/85/28/59/346852859.db2.gz HHRGCSOYCYSNEJ-UHFFFAOYSA-N 0 0 143.255 2.289 10 30 AEEERN N#Cc1nccn1CCCC1CCC1 594893646 346853471 /nfs/dbraw/zinc/85/34/71/346853471.db2.gz GSVNRQPFWYLSOM-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN CC(=O)CSCC1(CC#N)CC1 594894759 346853484 /nfs/dbraw/zinc/85/34/84/346853484.db2.gz FJDUNUAYAFCSDC-UHFFFAOYSA-N 0 0 183.276 2.002 10 30 AEEERN CC(=O)CSCC(C)(C)CC#N 594894979 346853555 /nfs/dbraw/zinc/85/35/55/346853555.db2.gz GRVDKZIKDZZVKG-UHFFFAOYSA-N 0 0 185.292 2.248 10 30 AEEERN CC(C)=CCCn1cc(C#N)cn1 594899718 346853844 /nfs/dbraw/zinc/85/38/44/346853844.db2.gz RUQYMMAMWPNBTR-UHFFFAOYSA-N 0 0 175.235 2.111 10 30 AEEERN Cc1nc(CSCCC#N)co1 594903761 346854536 /nfs/dbraw/zinc/85/45/36/346854536.db2.gz QGQNAGDLLCEALR-UHFFFAOYSA-N 0 0 182.248 2.130 10 30 AEEERN N#CCCSCC1(CC#N)CC1 594903400 346854595 /nfs/dbraw/zinc/85/45/95/346854595.db2.gz BSEGWWXSBAHRCC-UHFFFAOYSA-N 0 0 180.276 2.327 10 30 AEEERN CC1(C)C[C@@H](SCCC#N)CO1 594903788 346854664 /nfs/dbraw/zinc/85/46/64/346854664.db2.gz RKIFSPREVZCZOE-MRVPVSSYSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@@H](CSCCC#N)C1CCC1 594903356 346854750 /nfs/dbraw/zinc/85/47/50/346854750.db2.gz AGNQSZPWCHWQCX-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN CC1(C)C[C@H](SCCC#N)CO1 594903789 346854787 /nfs/dbraw/zinc/85/47/87/346854787.db2.gz RKIFSPREVZCZOE-QMMMGPOBSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@H](CSCCC#N)C1CCC1 594903357 346854820 /nfs/dbraw/zinc/85/48/20/346854820.db2.gz AGNQSZPWCHWQCX-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN N#CCCSCc1cncs1 594903410 346854827 /nfs/dbraw/zinc/85/48/27/346854827.db2.gz CASGCLUVBDLTAJ-UHFFFAOYSA-N 0 0 184.289 2.290 10 30 AEEERN N#Cc1cnccc1SCCF 594906832 346855227 /nfs/dbraw/zinc/85/52/27/346855227.db2.gz AWRVYNDCVNKMII-UHFFFAOYSA-N 0 0 182.223 2.015 10 30 AEEERN N#Cc1cnccc1SCC1CC1 594907917 346855330 /nfs/dbraw/zinc/85/53/30/346855330.db2.gz KZRDROUEOCTCDI-UHFFFAOYSA-N 0 0 190.271 2.455 10 30 AEEERN N#Cc1cnccc1SCCCF 594907962 346855333 /nfs/dbraw/zinc/85/53/33/346855333.db2.gz NKFXIDVRHNARPW-UHFFFAOYSA-N 0 0 196.250 2.405 10 30 AEEERN N#CC1(C[NH2+]CC2CC2)CCCCC1 594981180 346856081 /nfs/dbraw/zinc/85/60/81/346856081.db2.gz JKZMJVNTFXMUQQ-UHFFFAOYSA-N 0 0 192.306 2.460 10 30 AEEERN N#CCN(C[C@H]1C[C@@H]2C[C@@H]2C1)C1CC1 595300646 346857321 /nfs/dbraw/zinc/85/73/21/346857321.db2.gz DOTOSROAGFLJTG-JGPRNRPPSA-N 0 0 190.290 2.020 10 30 AEEERN N#CCN(CCC1CCC1)C1CC1 595300385 346857370 /nfs/dbraw/zinc/85/73/70/346857370.db2.gz BRTIDUHUMBLBBV-UHFFFAOYSA-N 0 0 178.279 2.165 10 30 AEEERN CCN(CC#N)CCC=C(C)C 595300378 346857456 /nfs/dbraw/zinc/85/74/56/346857456.db2.gz BMFINKHXFUDHEB-UHFFFAOYSA-N 0 0 166.268 2.188 10 30 AEEERN CC[C@H](CC(F)F)CN(C)CC#N 595304755 346858066 /nfs/dbraw/zinc/85/80/66/346858066.db2.gz GIYLRXAWGAPKFK-MRVPVSSYSA-N 0 0 190.237 2.123 10 30 AEEERN CC[C@@H](CC(F)F)CN(C)CC#N 595304757 346858259 /nfs/dbraw/zinc/85/82/59/346858259.db2.gz GIYLRXAWGAPKFK-QMMMGPOBSA-N 0 0 190.237 2.123 10 30 AEEERN CC(C)=CCCN(C)CCC#N 595342671 346858841 /nfs/dbraw/zinc/85/88/41/346858841.db2.gz GBYLUWVALVGSOR-UHFFFAOYSA-N 0 0 166.268 2.188 10 30 AEEERN C=CC[C@@H]1CCCC[C@@H]1NCC#N 595603920 346861139 /nfs/dbraw/zinc/86/11/39/346861139.db2.gz QZXLNLCRDLUULW-MNOVXSKESA-N 0 0 178.279 2.234 10 30 AEEERN C=CC[C@H]1CCCC[C@@H]1NCC#N 595603921 346861285 /nfs/dbraw/zinc/86/12/85/346861285.db2.gz QZXLNLCRDLUULW-QWRGUYRKSA-N 0 0 178.279 2.234 10 30 AEEERN C=CC[C@H]1CCCC[C@H]1NCC#N 595603922 346861298 /nfs/dbraw/zinc/86/12/98/346861298.db2.gz QZXLNLCRDLUULW-WDEREUQCSA-N 0 0 178.279 2.234 10 30 AEEERN N#CCN1CCC(C2CCC2)CC1 595659135 346861318 /nfs/dbraw/zinc/86/13/18/346861318.db2.gz LAGYLENIPYRZFB-UHFFFAOYSA-N 0 0 178.279 2.022 10 30 AEEERN C=CC[C@@H]1CCCC[C@H]1NCC#N 595603919 346861424 /nfs/dbraw/zinc/86/14/24/346861424.db2.gz QZXLNLCRDLUULW-GHMZBOCLSA-N 0 0 178.279 2.234 10 30 AEEERN CC[C@H](C)CN(C1CC1)[C@H](C)C#N 595708994 346862028 /nfs/dbraw/zinc/86/20/28/346862028.db2.gz AZFVFELVOSJSLQ-VHSXEESVSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@@H](C)CN(C1CC1)[C@H](C)C#N 595708992 346862096 /nfs/dbraw/zinc/86/20/96/346862096.db2.gz AZFVFELVOSJSLQ-NXEZZACHSA-N 0 0 180.295 2.409 10 30 AEEERN N#CCCN1CCC(C2CCC2)CC1 595660997 346862214 /nfs/dbraw/zinc/86/22/14/346862214.db2.gz VHZJRIBYBCBONK-UHFFFAOYSA-N 0 0 192.306 2.412 10 30 AEEERN CC[C@@H](C)CN(C1CC1)[C@@H](C)C#N 595708995 346862230 /nfs/dbraw/zinc/86/22/30/346862230.db2.gz AZFVFELVOSJSLQ-ZJUUUORDSA-N 0 0 180.295 2.409 10 30 AEEERN CC[C@H](C)CN(C1CC1)[C@@H](C)C#N 595708993 346862375 /nfs/dbraw/zinc/86/23/75/346862375.db2.gz AZFVFELVOSJSLQ-UWVGGRQHSA-N 0 0 180.295 2.409 10 30 AEEERN CCCCCN(CC)[C@H](C)C#N 595811744 346864193 /nfs/dbraw/zinc/86/41/93/346864193.db2.gz AEDBBNMYRBZPTL-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN CCN(CCCCCOC)[C@@H](C)C#N 595811771 346864247 /nfs/dbraw/zinc/86/42/47/346864247.db2.gz AKPPRIWNONPCOZ-NSHDSACASA-N 0 0 198.310 2.037 10 30 AEEERN CCN(CCCCCOC)[C@H](C)C#N 595811770 346864360 /nfs/dbraw/zinc/86/43/60/346864360.db2.gz AKPPRIWNONPCOZ-LLVKDONJSA-N 0 0 198.310 2.037 10 30 AEEERN CCN(CC1CCCC1)[C@H](C)C#N 595811545 346864411 /nfs/dbraw/zinc/86/44/11/346864411.db2.gz DNCHKHIDSNNOLA-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CCN(CC1CCCC1)[C@@H](C)C#N 595811544 346864506 /nfs/dbraw/zinc/86/45/06/346864506.db2.gz DNCHKHIDSNNOLA-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CCCCCN(CC)[C@@H](C)C#N 595811743 346864545 /nfs/dbraw/zinc/86/45/45/346864545.db2.gz AEDBBNMYRBZPTL-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN CCN(CCC(F)(F)F)[C@H](C)C#N 595811762 346864621 /nfs/dbraw/zinc/86/46/21/346864621.db2.gz AIJYPVTXFYDBPO-SSDOTTSWSA-N 0 0 194.200 2.173 10 30 AEEERN CCN(CCC(F)(F)F)[C@@H](C)C#N 595811763 346864693 /nfs/dbraw/zinc/86/46/93/346864693.db2.gz AIJYPVTXFYDBPO-ZETCQYMHSA-N 0 0 194.200 2.173 10 30 AEEERN CCN(CCOC(C)(C)C)[C@@H](C)C#N 595812314 346864942 /nfs/dbraw/zinc/86/49/42/346864942.db2.gz DPALXBATCDJSSL-JTQLQIEISA-N 0 0 198.310 2.035 10 30 AEEERN CCN(CCCOC(C)C)[C@@H](C)C#N 595812435 346864952 /nfs/dbraw/zinc/86/49/52/346864952.db2.gz FCRQKFVMIPVYIN-NSHDSACASA-N 0 0 198.310 2.035 10 30 AEEERN CCN(CCOC(C)(C)C)[C@H](C)C#N 595812323 346864979 /nfs/dbraw/zinc/86/49/79/346864979.db2.gz DPALXBATCDJSSL-SNVBAGLBSA-N 0 0 198.310 2.035 10 30 AEEERN CCN(CCCOC(C)C)[C@H](C)C#N 595812434 346865063 /nfs/dbraw/zinc/86/50/63/346865063.db2.gz FCRQKFVMIPVYIN-LLVKDONJSA-N 0 0 198.310 2.035 10 30 AEEERN C[C@H](NCC#N)C1CCC(F)CC1 595818058 346865409 /nfs/dbraw/zinc/86/54/09/346865409.db2.gz DDENMRVSOFVKNV-IDKOKCKLSA-N 0 0 184.258 2.016 10 30 AEEERN C[C@@H](NCC#N)C1CCC(F)CC1 595818059 346865487 /nfs/dbraw/zinc/86/54/87/346865487.db2.gz DDENMRVSOFVKNV-XNWIYYODSA-N 0 0 184.258 2.016 10 30 AEEERN CCN(CC1(C)CCC1)[C@H](C)C#N 595820578 346865906 /nfs/dbraw/zinc/86/59/06/346865906.db2.gz MVADMJKAICYIQJ-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CCN(CC1(C)CCC1)[C@@H](C)C#N 595820577 346866288 /nfs/dbraw/zinc/86/62/88/346866288.db2.gz MVADMJKAICYIQJ-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)=CCN1CC[C@@](C)(C#N)C1 595836142 346866866 /nfs/dbraw/zinc/86/68/66/346866866.db2.gz WIYTVYXQRLIXOD-NSHDSACASA-N 0 0 178.279 2.188 10 30 AEEERN N#CCN1CCC[C@@H](C2CCC2)C1 595832919 346867160 /nfs/dbraw/zinc/86/71/60/346867160.db2.gz KDIONFNVFOHYQU-LLVKDONJSA-N 0 0 178.279 2.022 10 30 AEEERN CC(C)=CCN1CC[C@](C)(C#N)C1 595836141 346867448 /nfs/dbraw/zinc/86/74/48/346867448.db2.gz WIYTVYXQRLIXOD-LLVKDONJSA-N 0 0 178.279 2.188 10 30 AEEERN N#CCN1CCC[C@H](C2CCC2)C1 595832920 346867577 /nfs/dbraw/zinc/86/75/77/346867577.db2.gz KDIONFNVFOHYQU-NSHDSACASA-N 0 0 178.279 2.022 10 30 AEEERN N#CCN(CCC1CC1)CC1CC1 595872407 346869840 /nfs/dbraw/zinc/86/98/40/346869840.db2.gz XVYKILLRNIEODK-UHFFFAOYSA-N 0 0 178.279 2.022 10 30 AEEERN N#CCN1CC2CC1(c1ccccc1)C2 595910494 346870794 /nfs/dbraw/zinc/87/07/94/346870794.db2.gz IMYWRYVAQJQLJE-UHFFFAOYSA-N 0 0 198.269 2.131 10 30 AEEERN CC(C)(C)C(F)(F)CNCCC#N 596069552 346872299 /nfs/dbraw/zinc/87/22/99/346872299.db2.gz MJFGZXCZDSIAPW-UHFFFAOYSA-N 0 0 190.237 2.171 10 30 AEEERN N#Cc1ccn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1 596266964 346874514 /nfs/dbraw/zinc/87/45/14/346874514.db2.gz WWPJLWJWFJLDPT-ZSBIGDGJSA-N 0 0 186.258 2.406 10 30 AEEERN C=CCSCCO[C@@H]1CC1(F)F 596338540 346875468 /nfs/dbraw/zinc/87/54/68/346875468.db2.gz STMYFOTWSCTVJL-SSDOTTSWSA-N 0 0 194.246 2.330 10 30 AEEERN C=CCS[C@@H]1COC(C)(C)C1 596338810 346875477 /nfs/dbraw/zinc/87/54/77/346875477.db2.gz YDOISSCIEYARSH-QMMMGPOBSA-N 0 0 172.293 2.473 10 30 AEEERN C=CCS[C@H]1COC(C)(C)C1 596338809 346875539 /nfs/dbraw/zinc/87/55/39/346875539.db2.gz YDOISSCIEYARSH-MRVPVSSYSA-N 0 0 172.293 2.473 10 30 AEEERN C=CCSCCO[C@H]1CC1(F)F 596338541 346875597 /nfs/dbraw/zinc/87/55/97/346875597.db2.gz STMYFOTWSCTVJL-ZETCQYMHSA-N 0 0 194.246 2.330 10 30 AEEERN C=C(C)CSCC1(C)COC1 596345223 346876179 /nfs/dbraw/zinc/87/61/79/346876179.db2.gz ALFXWFULOHPBRZ-UHFFFAOYSA-N 0 0 172.293 2.332 10 30 AEEERN C=C(C)CCSCC[C@@H](C)O 596360326 346876624 /nfs/dbraw/zinc/87/66/24/346876624.db2.gz JOSRJEDYJVHPFN-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN C=C(C)CCSCC[C@H](C)O 596360329 346876948 /nfs/dbraw/zinc/87/69/48/346876948.db2.gz JOSRJEDYJVHPFN-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C[C@@H](CC#N)c1nc(C2CCC2)no1 596582264 346878351 /nfs/dbraw/zinc/87/83/51/346878351.db2.gz GBXAYOIOMKGJRF-ZETCQYMHSA-N 0 0 191.234 2.354 10 30 AEEERN C[C@@H](CC#N)c1nc(C2(C)CC2)no1 596601242 346878447 /nfs/dbraw/zinc/87/84/47/346878447.db2.gz QCUGTMFWAQNMMM-ZETCQYMHSA-N 0 0 191.234 2.138 10 30 AEEERN C=CCCc1noc([C@@H](C)CC#N)n1 596600935 346878458 /nfs/dbraw/zinc/87/84/58/346878458.db2.gz DCINFAKLIXGOTN-QMMMGPOBSA-N 0 0 191.234 2.205 10 30 AEEERN C=CCCc1noc([C@H](C)CC#N)n1 596600934 346878494 /nfs/dbraw/zinc/87/84/94/346878494.db2.gz DCINFAKLIXGOTN-MRVPVSSYSA-N 0 0 191.234 2.205 10 30 AEEERN CCCN(CCC)C(=O)[C@@H](C)CC#N 596622648 346878512 /nfs/dbraw/zinc/87/85/12/346878512.db2.gz FNEPHZCDZSDGNC-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN C[C@H](CC#N)c1nc(C2(C)CC2)no1 596601241 346878596 /nfs/dbraw/zinc/87/85/96/346878596.db2.gz QCUGTMFWAQNMMM-SSDOTTSWSA-N 0 0 191.234 2.138 10 30 AEEERN CCCN(CCC)C(=O)[C@H](C)CC#N 596622649 346878602 /nfs/dbraw/zinc/87/86/02/346878602.db2.gz FNEPHZCDZSDGNC-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CCCCN(CC)C(=O)[C@@H](C)CC#N 596633433 346879605 /nfs/dbraw/zinc/87/96/05/346879605.db2.gz GXSRXSLBYQEHNX-JTQLQIEISA-N 0 0 196.294 2.185 10 30 AEEERN C[C@H](CC#N)c1nc(C2CCC2)no1 596582263 346878815 /nfs/dbraw/zinc/87/88/15/346878815.db2.gz GBXAYOIOMKGJRF-SSDOTTSWSA-N 0 0 191.234 2.354 10 30 AEEERN CCCCN(CC)C(=O)[C@H](C)CC#N 596633434 346879229 /nfs/dbraw/zinc/87/92/29/346879229.db2.gz GXSRXSLBYQEHNX-SNVBAGLBSA-N 0 0 196.294 2.185 10 30 AEEERN CC(C)[C@H](C)N(C)C(=O)[C@H](C)CC#N 596734881 346879795 /nfs/dbraw/zinc/87/97/95/346879795.db2.gz CCUYSRFACBVPSD-ZJUUUORDSA-N 0 0 196.294 2.039 10 30 AEEERN CCC[C@@H](C)N(C)C(=O)[C@H](C)CC#N 596793920 346879828 /nfs/dbraw/zinc/87/98/28/346879828.db2.gz RGPAGNYBOFWFJV-NXEZZACHSA-N 0 0 196.294 2.183 10 30 AEEERN CC(C)CCN(C)C(=O)[C@H](C)CC#N 596765939 346879921 /nfs/dbraw/zinc/87/99/21/346879921.db2.gz OFUOGJOQWPQHER-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN C[C@@H](CC#N)C(=O)NCCC(C)(C)C 596787705 346879974 /nfs/dbraw/zinc/87/99/74/346879974.db2.gz KATQJRAVYRDZMR-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN CC(C)CCN(C)C(=O)[C@@H](C)CC#N 596765938 346879982 /nfs/dbraw/zinc/87/99/82/346879982.db2.gz OFUOGJOQWPQHER-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)CC#N 596734880 346879996 /nfs/dbraw/zinc/87/99/96/346879996.db2.gz CCUYSRFACBVPSD-VHSXEESVSA-N 0 0 196.294 2.039 10 30 AEEERN CC(C)[C@H](C)N(C)C(=O)[C@@H](C)CC#N 596734878 346880035 /nfs/dbraw/zinc/88/00/35/346880035.db2.gz CCUYSRFACBVPSD-UWVGGRQHSA-N 0 0 196.294 2.039 10 30 AEEERN CCC[C@H](C)N(C)C(=O)[C@@H](C)CC#N 596793921 346880076 /nfs/dbraw/zinc/88/00/76/346880076.db2.gz RGPAGNYBOFWFJV-UWVGGRQHSA-N 0 0 196.294 2.183 10 30 AEEERN CCN(CC(C)C)C(=O)[C@H](C)CC#N 596764366 346880095 /nfs/dbraw/zinc/88/00/95/346880095.db2.gz FEWJLFIRXIBZRS-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)CCCNC(=O)[C@H](C)CC#N 596752974 346880112 /nfs/dbraw/zinc/88/01/12/346880112.db2.gz MHCSURLDUPQSGL-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN CC(C)[C@@H](C)N(C)C(=O)[C@H](C)CC#N 596734877 346880135 /nfs/dbraw/zinc/88/01/35/346880135.db2.gz CCUYSRFACBVPSD-NXEZZACHSA-N 0 0 196.294 2.039 10 30 AEEERN CCN(CC(C)C)C(=O)[C@@H](C)CC#N 596764364 346880221 /nfs/dbraw/zinc/88/02/21/346880221.db2.gz FEWJLFIRXIBZRS-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)CCCNC(=O)[C@@H](C)CC#N 596752967 346880264 /nfs/dbraw/zinc/88/02/64/346880264.db2.gz MHCSURLDUPQSGL-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN C[C@H](CC#N)C(=O)NCCC(C)(C)C 596787704 346880310 /nfs/dbraw/zinc/88/03/10/346880310.db2.gz KATQJRAVYRDZMR-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN CCC[C@@H](C)N(C)C(=O)[C@@H](C)CC#N 596793922 346880527 /nfs/dbraw/zinc/88/05/27/346880527.db2.gz RGPAGNYBOFWFJV-VHSXEESVSA-N 0 0 196.294 2.183 10 30 AEEERN CCC[C@H](C)N(C)C(=O)[C@H](C)CC#N 596793923 346880662 /nfs/dbraw/zinc/88/06/62/346880662.db2.gz RGPAGNYBOFWFJV-ZJUUUORDSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)CC#N 596920983 346881330 /nfs/dbraw/zinc/88/13/30/346881330.db2.gz DGPJHBLELNJENL-AEJSXWLSSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C)CC#N 596920986 346881361 /nfs/dbraw/zinc/88/13/61/346881361.db2.gz DGPJHBLELNJENL-LPEHRKFASA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](C)[C@H](C)NC(=O)[C@@H](C)CC#N 596920984 346881407 /nfs/dbraw/zinc/88/14/07/346881407.db2.gz DGPJHBLELNJENL-GUBZILKMSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)CC#N 596920985 346881529 /nfs/dbraw/zinc/88/15/29/346881529.db2.gz DGPJHBLELNJENL-IVZWLZJFSA-N 0 0 196.294 2.087 10 30 AEEERN CCCC(C)(C)NC(=O)[C@H](C)CC#N 597008575 346881865 /nfs/dbraw/zinc/88/18/65/346881865.db2.gz MHAVNKWBWSXGGX-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@@H](CC)NC(=O)[C@H](C)CC#N 596973245 346881869 /nfs/dbraw/zinc/88/18/69/346881869.db2.gz OVEXSIWHVXFDCX-NXEZZACHSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@H](CC)NC(=O)[C@H](C)CC#N 596973248 346881886 /nfs/dbraw/zinc/88/18/86/346881886.db2.gz OVEXSIWHVXFDCX-ZJUUUORDSA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@H](CC)NC(=O)[C@@H](C)CC#N 596973246 346882172 /nfs/dbraw/zinc/88/21/72/346882172.db2.gz OVEXSIWHVXFDCX-UWVGGRQHSA-N 0 0 196.294 2.231 10 30 AEEERN CCCC(C)(C)NC(=O)[C@@H](C)CC#N 597008576 346882203 /nfs/dbraw/zinc/88/22/03/346882203.db2.gz MHAVNKWBWSXGGX-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN CCC[C@@H](CC)NC(=O)[C@@H](C)CC#N 596973247 346882240 /nfs/dbraw/zinc/88/22/40/346882240.db2.gz OVEXSIWHVXFDCX-VHSXEESVSA-N 0 0 196.294 2.231 10 30 AEEERN CC(C)C(C)(C)NC(=O)[C@@H](C)CC#N 597121819 346883183 /nfs/dbraw/zinc/88/31/83/346883183.db2.gz QUGDCVHAJIWXNC-VIFPVBQESA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C(C)(C)NC(=O)[C@H](C)CC#N 597121818 346883456 /nfs/dbraw/zinc/88/34/56/346883456.db2.gz QUGDCVHAJIWXNC-SECBINFHSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@H](CC#N)C(=O)N(C)CC(C)(C)C 597079305 346883613 /nfs/dbraw/zinc/88/36/13/346883613.db2.gz FSZQIZCLEJALSB-SECBINFHSA-N 0 0 196.294 2.041 10 30 AEEERN C[C@@H](CC#N)C(=O)N(C)CC(C)(C)C 597079306 346883716 /nfs/dbraw/zinc/88/37/16/346883716.db2.gz FSZQIZCLEJALSB-VIFPVBQESA-N 0 0 196.294 2.041 10 30 AEEERN CCC(CC)CNC(=O)[C@@H](C)CC#N 597159883 346884058 /nfs/dbraw/zinc/88/40/58/346884058.db2.gz SNMNQBWLPQRWAR-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN CCC(CC)CNC(=O)[C@H](C)CC#N 597159882 346884242 /nfs/dbraw/zinc/88/42/42/346884242.db2.gz SNMNQBWLPQRWAR-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN N#CCC1CN(Cc2cccs2)C1 597193949 346884787 /nfs/dbraw/zinc/88/47/87/346884787.db2.gz LJWLNGZUJBHJIK-UHFFFAOYSA-N 0 0 192.287 2.094 10 30 AEEERN N#CCC1CN(Cc2ccsc2)C1 597192797 346884876 /nfs/dbraw/zinc/88/48/76/346884876.db2.gz NFKLIGIVNFZPKM-UHFFFAOYSA-N 0 0 192.287 2.094 10 30 AEEERN CC[C@H](C)CN(C)C(=O)[C@@H](C)CC#N 597211633 346885339 /nfs/dbraw/zinc/88/53/39/346885339.db2.gz YTSNRIIOEXZKPX-UWVGGRQHSA-N 0 0 196.294 2.041 10 30 AEEERN CC[C@@H](C)CN(C)C(=O)[C@@H](C)CC#N 597211635 346885427 /nfs/dbraw/zinc/88/54/27/346885427.db2.gz YTSNRIIOEXZKPX-ZJUUUORDSA-N 0 0 196.294 2.041 10 30 AEEERN C[C@]1(C#N)CCN(Cc2ccco2)C1 597229473 346885441 /nfs/dbraw/zinc/88/54/41/346885441.db2.gz LJSYOVCXUYOBCO-LLVKDONJSA-N 0 0 190.246 2.015 10 30 AEEERN CCC(C)(CC)NC(=O)[C@H](C)CC#N 597229873 346885466 /nfs/dbraw/zinc/88/54/66/346885466.db2.gz KKKVWJHOGYDZBC-SECBINFHSA-N 0 0 196.294 2.231 10 30 AEEERN CC[C@H](C)CN(C)C(=O)[C@H](C)CC#N 597211634 346885478 /nfs/dbraw/zinc/88/54/78/346885478.db2.gz YTSNRIIOEXZKPX-VHSXEESVSA-N 0 0 196.294 2.041 10 30 AEEERN CCC(C)(CC)NC(=O)[C@@H](C)CC#N 597229874 346885527 /nfs/dbraw/zinc/88/55/27/346885527.db2.gz KKKVWJHOGYDZBC-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN CC[C@@H](C)CN(C)C(=O)[C@H](C)CC#N 597211632 346885613 /nfs/dbraw/zinc/88/56/13/346885613.db2.gz YTSNRIIOEXZKPX-NXEZZACHSA-N 0 0 196.294 2.041 10 30 AEEERN C[C@@H](CC#N)C(=O)Nc1ccsc1 597259895 346886073 /nfs/dbraw/zinc/88/60/73/346886073.db2.gz KWVPCMNMTMLSND-ZETCQYMHSA-N 0 0 194.259 2.236 10 30 AEEERN C[C@H](CC#N)C(=O)Nc1ccsc1 597259894 346886125 /nfs/dbraw/zinc/88/61/25/346886125.db2.gz KWVPCMNMTMLSND-SSDOTTSWSA-N 0 0 194.259 2.236 10 30 AEEERN CCC(C)(C)N(C)C(=O)[C@H](C)CC#N 597264373 346886135 /nfs/dbraw/zinc/88/61/35/346886135.db2.gz CSOLVQGQELTKQX-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC(C)(C)N(C)C(=O)[C@@H](C)CC#N 597264374 346886181 /nfs/dbraw/zinc/88/61/81/346886181.db2.gz CSOLVQGQELTKQX-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN CC(C)C[C@H](C)NC(=O)[C@@H](C)CC#N 597429264 346887238 /nfs/dbraw/zinc/88/72/38/346887238.db2.gz YXDRDPZGZZQQGV-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@@H](C)NC(=O)[C@@H](C)CC#N 597429265 346887320 /nfs/dbraw/zinc/88/73/20/346887320.db2.gz YXDRDPZGZZQQGV-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@@H](C)NC(=O)[C@H](C)CC#N 597429263 346887344 /nfs/dbraw/zinc/88/73/44/346887344.db2.gz YXDRDPZGZZQQGV-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@H](C)NC(=O)[C@H](C)CC#N 597429266 346887426 /nfs/dbraw/zinc/88/74/26/346887426.db2.gz YXDRDPZGZZQQGV-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN C=CCCCCNC(=O)[C@@H](C)CC#N 597523160 346888293 /nfs/dbraw/zinc/88/82/93/346888293.db2.gz KKMRUTUTTIOSBZ-JTQLQIEISA-N 0 0 194.278 2.009 10 30 AEEERN C=CCCCCNC(=O)[C@H](C)CC#N 597523161 346888392 /nfs/dbraw/zinc/88/83/92/346888392.db2.gz KKMRUTUTTIOSBZ-SNVBAGLBSA-N 0 0 194.278 2.009 10 30 AEEERN C=CC[C@@H](CC)NC(=O)[C@H](C)CC#N 597613921 346888960 /nfs/dbraw/zinc/88/89/60/346888960.db2.gz XWXNYDXUHDZNJO-NXEZZACHSA-N 0 0 194.278 2.007 10 30 AEEERN C=CC[C@H](CC)NC(=O)[C@@H](C)CC#N 597613922 346888965 /nfs/dbraw/zinc/88/89/65/346888965.db2.gz XWXNYDXUHDZNJO-UWVGGRQHSA-N 0 0 194.278 2.007 10 30 AEEERN CC(C)=CCCNC(=O)[C@@H](C)CC#N 597556304 346888981 /nfs/dbraw/zinc/88/89/81/346888981.db2.gz ZBPIKCGZQQIQLM-JTQLQIEISA-N 0 0 194.278 2.009 10 30 AEEERN C=CC[C@H](CC)NC(=O)[C@H](C)CC#N 597613924 346888996 /nfs/dbraw/zinc/88/89/96/346888996.db2.gz XWXNYDXUHDZNJO-ZJUUUORDSA-N 0 0 194.278 2.007 10 30 AEEERN CCC(C)(C)CNC(=O)[C@@H](C)CC#N 597560250 346889063 /nfs/dbraw/zinc/88/90/63/346889063.db2.gz SAURMSWZJMEVJL-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN CC(C)=CCCNC(=O)[C@H](C)CC#N 597556305 346889092 /nfs/dbraw/zinc/88/90/92/346889092.db2.gz ZBPIKCGZQQIQLM-SNVBAGLBSA-N 0 0 194.278 2.009 10 30 AEEERN CCC(C)(C)CNC(=O)[C@H](C)CC#N 597560249 346889157 /nfs/dbraw/zinc/88/91/57/346889157.db2.gz SAURMSWZJMEVJL-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN C=CC[C@@H](CC)NC(=O)[C@@H](C)CC#N 597613923 346889172 /nfs/dbraw/zinc/88/91/72/346889172.db2.gz XWXNYDXUHDZNJO-VHSXEESVSA-N 0 0 194.278 2.007 10 30 AEEERN CCCN(C(=O)[C@H](C)CC#N)C(C)C 597826245 346892687 /nfs/dbraw/zinc/89/26/87/346892687.db2.gz NDBRDUZJQFUMFB-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN C[C@H](CC#N)C(=O)N[C@H](C)C(C)(C)C 597819486 346892860 /nfs/dbraw/zinc/89/28/60/346892860.db2.gz DSGFJVZSBKVNND-RKDXNWHRSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@@H](CC#N)C(=O)N[C@H](C)C(C)(C)C 597819480 346893027 /nfs/dbraw/zinc/89/30/27/346893027.db2.gz DSGFJVZSBKVNND-DTWKUNHWSA-N 0 0 196.294 2.087 10 30 AEEERN CCCN(C(=O)[C@@H](C)CC#N)C(C)C 597826244 346893037 /nfs/dbraw/zinc/89/30/37/346893037.db2.gz NDBRDUZJQFUMFB-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@H](C)N(CC)C(=O)[C@H](C)CC#N 597854703 346893477 /nfs/dbraw/zinc/89/34/77/346893477.db2.gz FOFZBGIPCAUYJN-ZJUUUORDSA-N 0 0 196.294 2.183 10 30 AEEERN CCC(C)(C)[C@H](C)NC(=O)[C@@H](C)C#N 597952372 346893486 /nfs/dbraw/zinc/89/34/86/346893486.db2.gz RGPMONASQNEOLR-IUCAKERBSA-N 0 0 196.294 2.087 10 30 AEEERN CCC(C)(C)[C@H](C)NC(=O)[C@H](C)C#N 597952370 346893531 /nfs/dbraw/zinc/89/35/31/346893531.db2.gz RGPMONASQNEOLR-BDAKNGLRSA-N 0 0 196.294 2.087 10 30 AEEERN CCC(C)(C)[C@@H](C)NC(=O)[C@@H](C)C#N 597952371 346893616 /nfs/dbraw/zinc/89/36/16/346893616.db2.gz RGPMONASQNEOLR-DTWKUNHWSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](C)N(CC)C(=O)[C@@H](C)CC#N 597854701 346893645 /nfs/dbraw/zinc/89/36/45/346893645.db2.gz FOFZBGIPCAUYJN-UWVGGRQHSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H](C)N(CC)C(=O)[C@@H](C)CC#N 597854702 346893657 /nfs/dbraw/zinc/89/36/57/346893657.db2.gz FOFZBGIPCAUYJN-VHSXEESVSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H](C)N(CC)C(=O)[C@H](C)CC#N 597854700 346893725 /nfs/dbraw/zinc/89/37/25/346893725.db2.gz FOFZBGIPCAUYJN-NXEZZACHSA-N 0 0 196.294 2.183 10 30 AEEERN CCC(C)(C)[C@@H](C)NC(=O)[C@H](C)C#N 597952373 346893774 /nfs/dbraw/zinc/89/37/74/346893774.db2.gz RGPMONASQNEOLR-RKDXNWHRSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](C)CCNC(=O)[C@@H](C)CC#N 597978260 346893980 /nfs/dbraw/zinc/89/39/80/346893980.db2.gz OMUGHJAQJCEGRI-UWVGGRQHSA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@@H](C)CCNC(=O)[C@H](C)CC#N 597978259 346894181 /nfs/dbraw/zinc/89/41/81/346894181.db2.gz OMUGHJAQJCEGRI-NXEZZACHSA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@@H](C)CCNC(=O)[C@@H](C)CC#N 597978262 346894304 /nfs/dbraw/zinc/89/43/04/346894304.db2.gz OMUGHJAQJCEGRI-ZJUUUORDSA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@H](C)CCNC(=O)[C@H](C)CC#N 597978261 346894313 /nfs/dbraw/zinc/89/43/13/346894313.db2.gz OMUGHJAQJCEGRI-VHSXEESVSA-N 0 0 196.294 2.089 10 30 AEEERN CCCCC(=O)N(C1CC1)[C@H](C)C#N 598125141 346894854 /nfs/dbraw/zinc/89/48/54/346894854.db2.gz HHSNODGDCDLBOB-SECBINFHSA-N 0 0 194.278 2.080 10 30 AEEERN CCCCC(=O)N(C1CC1)[C@@H](C)C#N 598125142 346895056 /nfs/dbraw/zinc/89/50/56/346895056.db2.gz HHSNODGDCDLBOB-VIFPVBQESA-N 0 0 194.278 2.080 10 30 AEEERN CCN(C(=O)[C@@H](C)C(C)C)[C@@H](C)C#N 598357636 346896714 /nfs/dbraw/zinc/89/67/14/346896714.db2.gz AOIZIKJVLNKIBL-UWVGGRQHSA-N 0 0 196.294 2.039 10 30 AEEERN CCN(C(=O)[C@@H](C)C(C)C)[C@H](C)C#N 598357639 346896767 /nfs/dbraw/zinc/89/67/67/346896767.db2.gz AOIZIKJVLNKIBL-ZJUUUORDSA-N 0 0 196.294 2.039 10 30 AEEERN CCN(C(=O)CCC(C)C)[C@@H](C)C#N 598352386 346896813 /nfs/dbraw/zinc/89/68/13/346896813.db2.gz ASGKEIOXEPFEKU-JTQLQIEISA-N 0 0 196.294 2.183 10 30 AEEERN CCN(C(=O)[C@H](C)C(C)C)[C@@H](C)C#N 598357637 346896832 /nfs/dbraw/zinc/89/68/32/346896832.db2.gz AOIZIKJVLNKIBL-VHSXEESVSA-N 0 0 196.294 2.039 10 30 AEEERN CCN(C(=O)[C@H](C)C(C)C)[C@H](C)C#N 598357634 346896925 /nfs/dbraw/zinc/89/69/25/346896925.db2.gz AOIZIKJVLNKIBL-NXEZZACHSA-N 0 0 196.294 2.039 10 30 AEEERN CCN(C(=O)CCC(C)C)[C@H](C)C#N 598352387 346896992 /nfs/dbraw/zinc/89/69/92/346896992.db2.gz ASGKEIOXEPFEKU-SNVBAGLBSA-N 0 0 196.294 2.183 10 30 AEEERN CC[C@@H]1CCC[C@H](C)N1C(=O)CC#N 598461125 346898332 /nfs/dbraw/zinc/89/83/32/346898332.db2.gz FUTGJJWEXGDFEM-VHSXEESVSA-N 0 0 194.278 2.080 10 30 AEEERN C=CCCOCc1nc(C2CC2)no1 598644725 346899233 /nfs/dbraw/zinc/89/92/33/346899233.db2.gz DJBAMGMVKKJMTJ-UHFFFAOYSA-N 0 0 194.234 2.040 10 30 AEEERN CC(C)N(C(=O)[C@H](C)CC#N)C(C)C 598810239 346900438 /nfs/dbraw/zinc/90/04/38/346900438.db2.gz KYAYBYVDWDKXNS-SNVBAGLBSA-N 0 0 196.294 2.182 10 30 AEEERN CC(C)N(C(=O)[C@@H](C)CC#N)C(C)C 598810237 346900630 /nfs/dbraw/zinc/90/06/30/346900630.db2.gz KYAYBYVDWDKXNS-JTQLQIEISA-N 0 0 196.294 2.182 10 30 AEEERN C/C=C\CNc1snc(C)c1C#N 599172372 346901739 /nfs/dbraw/zinc/90/17/39/346901739.db2.gz NJMKXAIMCPXFFU-ARJAWSKDSA-N 0 0 193.275 2.311 10 30 AEEERN C/C=C\CNc1nc(C#N)ccc1C 599172483 346901781 /nfs/dbraw/zinc/90/17/81/346901781.db2.gz OJFHJLCGODXDKI-ARJAWSKDSA-N 0 0 187.246 2.250 10 30 AEEERN C/C=C/CNc1nc(C#N)ccc1C 599172489 346901873 /nfs/dbraw/zinc/90/18/73/346901873.db2.gz OJFHJLCGODXDKI-ONEGZZNKSA-N 0 0 187.246 2.250 10 30 AEEERN C/C=C/CNc1snc(C)c1C#N 599172373 346901876 /nfs/dbraw/zinc/90/18/76/346901876.db2.gz NJMKXAIMCPXFFU-ONEGZZNKSA-N 0 0 193.275 2.311 10 30 AEEERN C[C@@H](C#N)N(C[C@@H]1C[C@H]1C)C1CC1 599469613 346903649 /nfs/dbraw/zinc/90/36/49/346903649.db2.gz JJBBPZVVURGZGN-UTLUCORTSA-N 0 0 178.279 2.019 10 30 AEEERN C[C@@H](C#N)N(C[C@H]1C[C@H]1C)C1CC1 599469611 346903822 /nfs/dbraw/zinc/90/38/22/346903822.db2.gz JJBBPZVVURGZGN-KXUCPTDWSA-N 0 0 178.279 2.019 10 30 AEEERN C[C@@H]1C[C@@H]1CN(C1CC1)[C@H](C)C#N 599469612 346903960 /nfs/dbraw/zinc/90/39/60/346903960.db2.gz JJBBPZVVURGZGN-OPRDCNLKSA-N 0 0 178.279 2.019 10 30 AEEERN C[C@@H]1C[C@H]1CN(C1CC1)[C@H](C)C#N 599469610 346904029 /nfs/dbraw/zinc/90/40/29/346904029.db2.gz JJBBPZVVURGZGN-BBBLOLIVSA-N 0 0 178.279 2.019 10 30 AEEERN C=CC1CCN(C(=O)C2CCC2)CC1 599686108 346905377 /nfs/dbraw/zinc/90/53/77/346905377.db2.gz BTHSVMKWLFAHJI-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C/C=C/C[C@H]1CCCN(CC#N)C1 599692357 346905501 /nfs/dbraw/zinc/90/55/01/346905501.db2.gz VJNMTQQYCJWEQJ-VUDBWIFFSA-N 0 0 178.279 2.188 10 30 AEEERN C/C=C/C[C@@H]1CCCN(CC#N)C1 599692354 346905607 /nfs/dbraw/zinc/90/56/07/346905607.db2.gz VJNMTQQYCJWEQJ-KXMPLOMGSA-N 0 0 178.279 2.188 10 30 AEEERN C/C=C\C[C@@H]1CCCN(CC#N)C1 599692355 346905733 /nfs/dbraw/zinc/90/57/33/346905733.db2.gz VJNMTQQYCJWEQJ-OTDNITJGSA-N 0 0 178.279 2.188 10 30 AEEERN C/C=C\C[C@H]1CCCN(CC#N)C1 599692356 346905785 /nfs/dbraw/zinc/90/57/85/346905785.db2.gz VJNMTQQYCJWEQJ-QUCGXOGASA-N 0 0 178.279 2.188 10 30 AEEERN CC1(C)Cc2ccccc2N1CC#N 599660908 346905912 /nfs/dbraw/zinc/90/59/12/346905912.db2.gz PWLWQPZWRQRGIU-UHFFFAOYSA-N 0 0 186.258 2.351 10 30 AEEERN C/C=C\CNC(=O)CCCCCC#N 600489442 346908536 /nfs/dbraw/zinc/90/85/36/346908536.db2.gz GNAXTJVDCLDQKS-IHWYPQMZSA-N 0 0 194.278 2.153 10 30 AEEERN C/C=C/CNC(=O)CCCCCC#N 600489443 346908616 /nfs/dbraw/zinc/90/86/16/346908616.db2.gz GNAXTJVDCLDQKS-NSCUHMNNSA-N 0 0 194.278 2.153 10 30 AEEERN C[C@@H]1C[C@@H]1CSCCC#N 600554746 346910068 /nfs/dbraw/zinc/91/00/68/346910068.db2.gz GRMZQWZPXAPSPC-HTQZYQBOSA-N 0 0 155.266 2.289 10 30 AEEERN C[C@H]1C[C@@H]1CSCCC#N 600554756 346910201 /nfs/dbraw/zinc/91/02/01/346910201.db2.gz GRMZQWZPXAPSPC-JGVFFNPUSA-N 0 0 155.266 2.289 10 30 AEEERN C[C@H]1C[C@H]1CSCCC#N 600554758 346910258 /nfs/dbraw/zinc/91/02/58/346910258.db2.gz GRMZQWZPXAPSPC-YUMQZZPRSA-N 0 0 155.266 2.289 10 30 AEEERN C[C@@H]1C[C@H]1CSCCC#N 600554757 346910395 /nfs/dbraw/zinc/91/03/95/346910395.db2.gz GRMZQWZPXAPSPC-SFYZADRCSA-N 0 0 155.266 2.289 10 30 AEEERN C[C@H](C#N)SCc1ccccn1 600575768 346910693 /nfs/dbraw/zinc/91/06/93/346910693.db2.gz XUKMPSLOYOHZHW-MRVPVSSYSA-N 0 0 178.260 2.227 10 30 AEEERN CCO[C@@H](CSCCC#N)C1CC1 600555387 346910722 /nfs/dbraw/zinc/91/07/22/346910722.db2.gz KBMDSQBMOVLUFR-JTQLQIEISA-N 0 0 199.319 2.448 10 30 AEEERN C[C@@H](C#N)S[C@@H]1COC(C)(C)C1 600572989 346910923 /nfs/dbraw/zinc/91/09/23/346910923.db2.gz RAJLAENNTXEVDY-YUMQZZPRSA-N 0 0 185.292 2.199 10 30 AEEERN C[C@@H](C#N)S[C@H]1COC(C)(C)C1 600572986 346910960 /nfs/dbraw/zinc/91/09/60/346910960.db2.gz RAJLAENNTXEVDY-JGVFFNPUSA-N 0 0 185.292 2.199 10 30 AEEERN C[C@H](C#N)S[C@H]1COC(C)(C)C1 600572984 346910974 /nfs/dbraw/zinc/91/09/74/346910974.db2.gz RAJLAENNTXEVDY-HTQZYQBOSA-N 0 0 185.292 2.199 10 30 AEEERN CCO[C@H](CSCCC#N)C1CC1 600555389 346911033 /nfs/dbraw/zinc/91/10/33/346911033.db2.gz KBMDSQBMOVLUFR-SNVBAGLBSA-N 0 0 199.319 2.448 10 30 AEEERN CC#CCS[C@@H]1COC(C)(C)C1 600574147 346911082 /nfs/dbraw/zinc/91/10/82/346911082.db2.gz UNPGWNDFUQSGHN-VIFPVBQESA-N 0 0 184.304 2.310 10 30 AEEERN Cc1nc(CSCCC#N)c(C)o1 600559256 346911101 /nfs/dbraw/zinc/91/11/01/346911101.db2.gz ZYDLVFJMWIKVSW-UHFFFAOYSA-N 0 0 196.275 2.438 10 30 AEEERN C[C@H](C#N)S[C@@H]1COC(C)(C)C1 600572988 346911104 /nfs/dbraw/zinc/91/11/04/346911104.db2.gz RAJLAENNTXEVDY-SFYZADRCSA-N 0 0 185.292 2.199 10 30 AEEERN CC#CCS[C@H]1COC(C)(C)C1 600574143 346911108 /nfs/dbraw/zinc/91/11/08/346911108.db2.gz UNPGWNDFUQSGHN-SECBINFHSA-N 0 0 184.304 2.310 10 30 AEEERN C[C@@H](C#N)SCc1ccccn1 600575769 346911513 /nfs/dbraw/zinc/91/15/13/346911513.db2.gz XUKMPSLOYOHZHW-QMMMGPOBSA-N 0 0 178.260 2.227 10 30 AEEERN N#CCSC[C@H]1C[C@@H]2C[C@@H]2C1 600581593 346911766 /nfs/dbraw/zinc/91/17/66/346911766.db2.gz UMBSYSWXAWHKFK-AYMMMOKOSA-N 0 0 167.277 2.289 10 30 AEEERN CC#CCSC[C@@H]1C[C@H]1C 600647197 346914148 /nfs/dbraw/zinc/91/41/48/346914148.db2.gz PDOXROWAEFIZDP-BDAKNGLRSA-N 0 0 154.278 2.399 10 30 AEEERN CC#CCSC[C@@H]1C[C@@H]1C 600647199 346914199 /nfs/dbraw/zinc/91/41/99/346914199.db2.gz PDOXROWAEFIZDP-IUCAKERBSA-N 0 0 154.278 2.399 10 30 AEEERN CC#CCSC[C@H]1C[C@@H]1C 600647198 346914212 /nfs/dbraw/zinc/91/42/12/346914212.db2.gz PDOXROWAEFIZDP-DTWKUNHWSA-N 0 0 154.278 2.399 10 30 AEEERN CC#CCSC[C@H]1C[C@H]1C 600647200 346914238 /nfs/dbraw/zinc/91/42/38/346914238.db2.gz PDOXROWAEFIZDP-RKDXNWHRSA-N 0 0 154.278 2.399 10 30 AEEERN C[C@@H]1C[C@@H]1Cn1ccc(C#N)c1 600672515 346914845 /nfs/dbraw/zinc/91/48/45/346914845.db2.gz MXTJNYLIUGFMHJ-PSASIEDQSA-N 0 0 160.220 2.016 10 30 AEEERN C[C@H]1C[C@@H]1Cn1ccc(C#N)c1 600672517 346914868 /nfs/dbraw/zinc/91/48/68/346914868.db2.gz MXTJNYLIUGFMHJ-WCBMZHEXSA-N 0 0 160.220 2.016 10 30 AEEERN C[C@@H]1C[C@H]1Cn1ccc(C#N)c1 600672516 346914900 /nfs/dbraw/zinc/91/49/00/346914900.db2.gz MXTJNYLIUGFMHJ-SCZZXKLOSA-N 0 0 160.220 2.016 10 30 AEEERN Cc1cn(C[C@H]2C[C@H]2C)cc1C#N 600672495 346914954 /nfs/dbraw/zinc/91/49/54/346914954.db2.gz MJCARQVIJKEWRT-PSASIEDQSA-N 0 0 174.247 2.324 10 30 AEEERN Cc1cn(C[C@@H]2C[C@H]2C)cc1C#N 600672496 346915013 /nfs/dbraw/zinc/91/50/13/346915013.db2.gz MJCARQVIJKEWRT-SCZZXKLOSA-N 0 0 174.247 2.324 10 30 AEEERN Cc1cn(C[C@@H]2C[C@@H]2C)cc1C#N 600672498 346915056 /nfs/dbraw/zinc/91/50/56/346915056.db2.gz MJCARQVIJKEWRT-WPRPVWTQSA-N 0 0 174.247 2.324 10 30 AEEERN C[C@H]1C[C@H]1Cn1ccc(C#N)c1 600672518 346915165 /nfs/dbraw/zinc/91/51/65/346915165.db2.gz MXTJNYLIUGFMHJ-WPRPVWTQSA-N 0 0 160.220 2.016 10 30 AEEERN Cc1cn(C[C@H]2C[C@@H]2C)cc1C#N 600672497 346915213 /nfs/dbraw/zinc/91/52/13/346915213.db2.gz MJCARQVIJKEWRT-WCBMZHEXSA-N 0 0 174.247 2.324 10 30 AEEERN C=C(C)c1cnn([C@H](C)C#N)c1 600777952 346917314 /nfs/dbraw/zinc/91/73/14/346917314.db2.gz ZMRCYFABNIFANN-MRVPVSSYSA-N 0 0 161.208 2.001 10 30 AEEERN C=C(C)c1cnn([C@@H](C)C#N)c1 600777953 346917357 /nfs/dbraw/zinc/91/73/57/346917357.db2.gz ZMRCYFABNIFANN-QMMMGPOBSA-N 0 0 161.208 2.001 10 30 AEEERN CC[C@@H](CC(=O)NCC#N)C(C)(C)C 601027044 346920225 /nfs/dbraw/zinc/92/02/25/346920225.db2.gz UMORGDJHNQMSST-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@H](CC(=O)NCC#N)C(C)(C)C 601027043 346920259 /nfs/dbraw/zinc/92/02/59/346920259.db2.gz UMORGDJHNQMSST-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN CC1(C)CO[C@H](CSCCC#N)C1 601083799 346921752 /nfs/dbraw/zinc/92/17/52/346921752.db2.gz NOWNLVILJGXMQC-VIFPVBQESA-N 0 0 199.319 2.448 10 30 AEEERN N#C[C@H](SC[C@H]1CCCO1)C1CC1 601080857 346921725 /nfs/dbraw/zinc/92/17/25/346921725.db2.gz HBORYRHJJBRWPC-ZJUUUORDSA-N 0 0 197.303 2.201 10 30 AEEERN N#C[C@@H](SC1CCOCC1)C1CC1 601080709 346921760 /nfs/dbraw/zinc/92/17/60/346921760.db2.gz OYDRTSFZOWDWNE-SNVBAGLBSA-N 0 0 197.303 2.201 10 30 AEEERN N#C[C@@H](SC[C@@H]1CCCO1)C1CC1 601080856 346921765 /nfs/dbraw/zinc/92/17/65/346921765.db2.gz HBORYRHJJBRWPC-VHSXEESVSA-N 0 0 197.303 2.201 10 30 AEEERN N#C[C@H](SCC1CC1)C1CC1 601082240 346921833 /nfs/dbraw/zinc/92/18/33/346921833.db2.gz DAIHUKKVZQAMOQ-VIFPVBQESA-N 0 0 167.277 2.432 10 30 AEEERN N#C[C@@H](SC[C@H]1CCCO1)C1CC1 601080854 346921873 /nfs/dbraw/zinc/92/18/73/346921873.db2.gz HBORYRHJJBRWPC-NXEZZACHSA-N 0 0 197.303 2.201 10 30 AEEERN N#C[C@H](SC[C@@H]1CCCO1)C1CC1 601080855 346921917 /nfs/dbraw/zinc/92/19/17/346921917.db2.gz HBORYRHJJBRWPC-UWVGGRQHSA-N 0 0 197.303 2.201 10 30 AEEERN Cc1cn(CC2(C#N)CCC2)c(C)n1 601081033 346921944 /nfs/dbraw/zinc/92/19/44/346921944.db2.gz SBAIHPPJKBYTSI-UHFFFAOYSA-N 0 0 189.262 2.194 10 30 AEEERN N#C[C@@H](SCC1CC1)C1CC1 601082239 346922055 /nfs/dbraw/zinc/92/20/55/346922055.db2.gz DAIHUKKVZQAMOQ-SECBINFHSA-N 0 0 167.277 2.432 10 30 AEEERN N#C[C@H](SC1CCOCC1)C1CC1 601080708 346922060 /nfs/dbraw/zinc/92/20/60/346922060.db2.gz OYDRTSFZOWDWNE-JTQLQIEISA-N 0 0 197.303 2.201 10 30 AEEERN C=CCN(C)c1ccsc1[N+](=O)[O-] 601146757 346922494 /nfs/dbraw/zinc/92/24/94/346922494.db2.gz ALBNGLIGVIXOAR-UHFFFAOYSA-N 0 0 198.247 2.279 10 30 AEEERN CC(C)(F)CNc1cc(C#N)ccn1 601206079 346922976 /nfs/dbraw/zinc/92/29/76/346922976.db2.gz NXKNRLNKEPETNV-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(F)CNc1cccc(C#N)n1 601205774 346923005 /nfs/dbraw/zinc/92/30/05/346923005.db2.gz GTUWHSRNPDBRFT-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN Cc1cc(C#N)cc(N[C@H]2CC23CC3)n1 601179028 346923089 /nfs/dbraw/zinc/92/30/89/346923089.db2.gz JTZWJZPWVZNTAU-JTQLQIEISA-N 0 0 199.257 2.226 10 30 AEEERN CC(C)(F)CNc1ncccc1C#N 601206299 346923123 /nfs/dbraw/zinc/92/31/23/346923123.db2.gz UYMPENOJASXERS-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(F)CNc1cccnc1C#N 601206205 346923174 /nfs/dbraw/zinc/92/31/74/346923174.db2.gz QCJYGOQEXIOGSU-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(F)CNc1ccc(C#N)nc1 601205802 346923204 /nfs/dbraw/zinc/92/32/04/346923204.db2.gz IJFPYHQXGXDDKW-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN CC(C)(F)CNc1cnccc1C#N 601205975 346923426 /nfs/dbraw/zinc/92/34/26/346923426.db2.gz LDUOMGSNZWFFPA-UHFFFAOYSA-N 0 0 193.225 2.113 10 30 AEEERN Cc1cc(C#N)cc(N[C@@H]2CC23CC3)n1 601179029 346923465 /nfs/dbraw/zinc/92/34/65/346923465.db2.gz JTZWJZPWVZNTAU-SNVBAGLBSA-N 0 0 199.257 2.226 10 30 AEEERN C=CCCC(C)(C)CNC(=O)CC#N 601745526 346924381 /nfs/dbraw/zinc/92/43/81/346924381.db2.gz YKBBJDCKNRTTGH-UHFFFAOYSA-N 0 0 194.278 2.009 10 30 AEEERN CCC(C)(C)CCNC(=O)[C@H](C)C#N 601745335 346924426 /nfs/dbraw/zinc/92/44/26/346924426.db2.gz WLYRXOASVVRFON-SECBINFHSA-N 0 0 196.294 2.089 10 30 AEEERN CCC(C)(C)CCNC(=O)[C@@H](C)C#N 601745339 346924559 /nfs/dbraw/zinc/92/45/59/346924559.db2.gz WLYRXOASVVRFON-VIFPVBQESA-N 0 0 196.294 2.089 10 30 AEEERN Cc1nn([C@@H](C)CC#N)c2c1CCC2 601936846 346927016 /nfs/dbraw/zinc/92/70/16/346927016.db2.gz WBIKTOBJONIXII-QMMMGPOBSA-N 0 0 189.262 2.155 10 30 AEEERN Cc1nn([C@H](C)CC#N)c2c1CCC2 601936845 346927557 /nfs/dbraw/zinc/92/75/57/346927557.db2.gz WBIKTOBJONIXII-MRVPVSSYSA-N 0 0 189.262 2.155 10 30 AEEERN CCC[C@H](CN(C)[C@@H](C)CC#N)OC 602460683 346932710 /nfs/dbraw/zinc/93/27/10/346932710.db2.gz AQINSORFALFCIL-WDEREUQCSA-N 0 0 198.310 2.035 10 30 AEEERN CCC[C@@H](CN(C)[C@H](C)CC#N)OC 602460681 346932989 /nfs/dbraw/zinc/93/29/89/346932989.db2.gz AQINSORFALFCIL-MNOVXSKESA-N 0 0 198.310 2.035 10 30 AEEERN CCC[C@H](CN(C)[C@H](C)CC#N)OC 602460680 346933003 /nfs/dbraw/zinc/93/30/03/346933003.db2.gz AQINSORFALFCIL-GHMZBOCLSA-N 0 0 198.310 2.035 10 30 AEEERN CCC[C@@H](CN(C)[C@@H](C)CC#N)OC 602460682 346933179 /nfs/dbraw/zinc/93/31/79/346933179.db2.gz AQINSORFALFCIL-QWRGUYRKSA-N 0 0 198.310 2.035 10 30 AEEERN CCC(F)(F)CN(C)C[C@@H](C)C#N 602772055 346943517 /nfs/dbraw/zinc/94/35/17/346943517.db2.gz NMRUUVFMVRJRFU-QMMMGPOBSA-N 0 0 190.237 2.123 10 30 AEEERN CCN(CCC#N)CC(F)(F)CC 602781480 346943936 /nfs/dbraw/zinc/94/39/36/346943936.db2.gz ZDLMHFUUUPDYBJ-UHFFFAOYSA-N 0 0 190.237 2.267 10 30 AEEERN CCC(F)(F)CN(CC#N)C1CC1 602772593 346943970 /nfs/dbraw/zinc/94/39/70/346943970.db2.gz UQYWEFCBRXNMAF-UHFFFAOYSA-N 0 0 188.221 2.020 10 30 AEEERN CCC(F)(F)CN(C)C[C@H](C)C#N 602772054 346944041 /nfs/dbraw/zinc/94/40/41/346944041.db2.gz NMRUUVFMVRJRFU-MRVPVSSYSA-N 0 0 190.237 2.123 10 30 AEEERN CCC(F)(F)CN(C)[C@H](C)CC#N 602786220 346944569 /nfs/dbraw/zinc/94/45/69/346944569.db2.gz DNJNWPAMNJIXBM-MRVPVSSYSA-N 0 0 190.237 2.266 10 30 AEEERN CCC(F)(F)CN(C)[C@@H](C)CC#N 602786221 346944845 /nfs/dbraw/zinc/94/48/45/346944845.db2.gz DNJNWPAMNJIXBM-QMMMGPOBSA-N 0 0 190.237 2.266 10 30 AEEERN CN(CCCC#N)c1ccsc1 602867871 346946442 /nfs/dbraw/zinc/94/64/42/346946442.db2.gz FLTZPBZVOOMIBL-UHFFFAOYSA-N 0 0 180.276 2.488 10 30 AEEERN C[C@@H](CCC#N)N1OC2CCC1CC2 603030419 346949736 /nfs/dbraw/zinc/94/97/36/346949736.db2.gz HSAKQYBDPULOOS-WHXUTIOJSA-N 0 0 194.278 2.237 10 30 AEEERN C[C@H](CCC#N)N1OC2CCC1CC2 603030418 346949867 /nfs/dbraw/zinc/94/98/67/346949867.db2.gz HSAKQYBDPULOOS-KPPDAEKUSA-N 0 0 194.278 2.237 10 30 AEEERN N#CCCCCN1OC2CCC1CC2 603031843 346950584 /nfs/dbraw/zinc/95/05/84/346950584.db2.gz KTVIBIZLNPXGDQ-UHFFFAOYSA-N 0 0 194.278 2.239 10 30 AEEERN C=CCCCn1cc(CSC)nn1 603196992 346951645 /nfs/dbraw/zinc/95/16/45/346951645.db2.gz GZIPGSKCRUPCOS-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN CCNc1ccc(C#N)cc1COC 603266570 346952140 /nfs/dbraw/zinc/95/21/40/346952140.db2.gz DCCKTNPVWOUBRN-UHFFFAOYSA-N 0 0 190.246 2.136 10 30 AEEERN C=C(C)CCn1cc(CSC)nn1 603227972 346952174 /nfs/dbraw/zinc/95/21/74/346952174.db2.gz XKICEHIMXXTBRB-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN C=CCCC[C@H](C)SCCO 603309406 346952787 /nfs/dbraw/zinc/95/27/87/346952787.db2.gz AVFOEGOATBFOLA-VIFPVBQESA-N 0 0 174.309 2.457 10 30 AEEERN C=CCCC[C@@H](C)SCCO 603309405 346952885 /nfs/dbraw/zinc/95/28/85/346952885.db2.gz AVFOEGOATBFOLA-SECBINFHSA-N 0 0 174.309 2.457 10 30 AEEERN CC[C@H](C#N)Sc1ccc(C)nn1 603316004 346953667 /nfs/dbraw/zinc/95/36/67/346953667.db2.gz GYYYPWHPVMTYMA-MRVPVSSYSA-N 0 0 193.275 2.179 10 30 AEEERN CC[C@@H](C#N)Sc1ccc(C)nn1 603316014 346953674 /nfs/dbraw/zinc/95/36/74/346953674.db2.gz GYYYPWHPVMTYMA-QMMMGPOBSA-N 0 0 193.275 2.179 10 30 AEEERN CC[C@@H](C)Cn1c(C#N)nc(C)c1C 603347477 346954526 /nfs/dbraw/zinc/95/45/26/346954526.db2.gz CRJJUTCIRSOSPA-MRVPVSSYSA-N 0 0 191.278 2.418 10 30 AEEERN Cc1nc(C#N)n(C[C@@H]2C[C@H]2C)c1C 603346970 346954571 /nfs/dbraw/zinc/95/45/71/346954571.db2.gz DWWBBXPURVCLLO-XCBNKYQSSA-N 0 0 189.262 2.028 10 30 AEEERN Cc1nc(C#N)n(C[C@H]2C[C@@H]2C)c1C 603346969 346954651 /nfs/dbraw/zinc/95/46/51/346954651.db2.gz DWWBBXPURVCLLO-OIBJUYFYSA-N 0 0 189.262 2.028 10 30 AEEERN Cc1nc(C#N)n(CC2CCC2)c1C 603347252 346954723 /nfs/dbraw/zinc/95/47/23/346954723.db2.gz AKCKPOFFNKRSQZ-UHFFFAOYSA-N 0 0 189.262 2.172 10 30 AEEERN Cc1nc(C#N)n(C[C@@H]2C[C@@H]2C)c1C 603346972 346954826 /nfs/dbraw/zinc/95/48/26/346954826.db2.gz DWWBBXPURVCLLO-XVKPBYJWSA-N 0 0 189.262 2.028 10 30 AEEERN CC[C@H](C)Cn1c(C#N)nc(C)c1C 603347479 346954935 /nfs/dbraw/zinc/95/49/35/346954935.db2.gz CRJJUTCIRSOSPA-QMMMGPOBSA-N 0 0 191.278 2.418 10 30 AEEERN Cc1nc(C#N)n(C[C@H]2C[C@H]2C)c1C 603346968 346954945 /nfs/dbraw/zinc/95/49/45/346954945.db2.gz DWWBBXPURVCLLO-GMSGAONNSA-N 0 0 189.262 2.028 10 30 AEEERN CC(C)=CCn1c(C#N)nc(C)c1C 603348583 346955244 /nfs/dbraw/zinc/95/52/44/346955244.db2.gz ODBBLESWVJPOEC-UHFFFAOYSA-N 0 0 189.262 2.338 10 30 AEEERN C=C1CN(c2sccc2[N+](=O)[O-])C1 603409030 346955774 /nfs/dbraw/zinc/95/57/74/346955774.db2.gz FCPUBRLENJTVBW-UHFFFAOYSA-N 0 0 196.231 2.033 10 30 AEEERN C=CCNC(=O)N[C@@H](C)C1CCCC1 603724842 346958176 /nfs/dbraw/zinc/95/81/76/346958176.db2.gz IEHXBQLWCLOYKP-VIFPVBQESA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNC(=O)N[C@H](C)C1CCCC1 603724841 346958540 /nfs/dbraw/zinc/95/85/40/346958540.db2.gz IEHXBQLWCLOYKP-SECBINFHSA-N 0 0 196.294 2.050 10 30 AEEERN Cc1ccc(CN(CC#N)C2CC2)o1 603851539 346959642 /nfs/dbraw/zinc/95/96/42/346959642.db2.gz AQKIGUSBZSPUQN-UHFFFAOYSA-N 0 0 190.246 2.076 10 30 AEEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CC1(C)C 604896275 346966757 /nfs/dbraw/zinc/96/67/57/346966757.db2.gz PDKFQPYZFSGILV-RKDXNWHRSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@@H](C)NC(=O)N(C)CC1CC1 604900769 346966811 /nfs/dbraw/zinc/96/68/11/346966811.db2.gz HXZXEGKWNKEYEO-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CC[C@H](C)NC(=O)N[C@@H]1CC1(C)C 604896273 346966951 /nfs/dbraw/zinc/96/69/51/346966951.db2.gz PDKFQPYZFSGILV-DTWKUNHWSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC[C@H](C)NC(=O)N(C)CC1CC1 604900770 346966955 /nfs/dbraw/zinc/96/69/55/346966955.db2.gz HXZXEGKWNKEYEO-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCCN(C)CC(F)(F)F 605150782 346968992 /nfs/dbraw/zinc/96/89/92/346968992.db2.gz CRTSNAJDGGXRNJ-UHFFFAOYSA-N 0 0 181.201 2.447 10 30 AEEERN C=CCN(C)Cc1nc(C)cs1 605316805 346970160 /nfs/dbraw/zinc/97/01/60/346970160.db2.gz HHPRXHFGTGWLPG-UHFFFAOYSA-N 0 0 182.292 2.069 10 30 AEEERN C=CCCCN(C)C(=O)c1ccc[nH]1 605678223 346972415 /nfs/dbraw/zinc/97/24/15/346972415.db2.gz OXEIXLODJDOZSF-UHFFFAOYSA-N 0 0 192.262 2.053 10 30 AEEERN C=CCCCN(C)c1cc(C)ncn1 605698825 346972442 /nfs/dbraw/zinc/97/24/42/346972442.db2.gz XXMDQSNOUCICAR-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=CCCCN(C)C(=O)c1ccoc1 605645246 346972598 /nfs/dbraw/zinc/97/25/98/346972598.db2.gz JXVGVLZLSXPZDY-UHFFFAOYSA-N 0 0 193.246 2.318 10 30 AEEERN C=CCCCN(C)C(=O)c1cc[nH]c1 605677227 346972925 /nfs/dbraw/zinc/97/29/25/346972925.db2.gz XBWXGUGVZSZUTH-UHFFFAOYSA-N 0 0 192.262 2.053 10 30 AEEERN C=CCCCN(C)C(=O)NCC1CC1 605842144 346973351 /nfs/dbraw/zinc/97/33/51/346973351.db2.gz MCVBCSTVYKGZCT-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCCCN(C)C(=O)NCC(C)C 605832369 346973398 /nfs/dbraw/zinc/97/33/98/346973398.db2.gz JRBWXZHJHZAXDQ-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN C=CCCCN(C)C(=O)N[C@H](C)CC 605944784 346973452 /nfs/dbraw/zinc/97/34/52/346973452.db2.gz VDXIGYAOKPOLBT-SNVBAGLBSA-N 0 0 198.310 2.393 10 30 AEEERN C=CCCCN(C)C(=O)N[C@@H]1C[C@H]1C 605875247 346973545 /nfs/dbraw/zinc/97/35/45/346973545.db2.gz BJXWOHWIPMYSMA-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCCN(C)C(=O)N[C@@H](C)CC 605944782 346973644 /nfs/dbraw/zinc/97/36/44/346973644.db2.gz VDXIGYAOKPOLBT-JTQLQIEISA-N 0 0 198.310 2.393 10 30 AEEERN C#Cc1cncc(OCC(C)(C)C)c1 606302123 346977051 /nfs/dbraw/zinc/97/70/51/346977051.db2.gz CPFPKFTUNSBTNC-UHFFFAOYSA-N 0 0 189.258 2.488 10 30 AEEERN CCCCC1CC(C#N)(CO)C1 606302105 346976970 /nfs/dbraw/zinc/97/69/70/346976970.db2.gz BUZOQGKADANEPH-UHFFFAOYSA-N 0 0 167.252 2.089 10 30 AEEERN C#Cc1cncc(OCC(C)C)c1 606302250 346976975 /nfs/dbraw/zinc/97/69/75/346976975.db2.gz JMDFTAZREKEACO-UHFFFAOYSA-N 0 0 175.231 2.098 10 30 AEEERN CCCC1CC(C=O)C1 606302140 346976995 /nfs/dbraw/zinc/97/69/95/346976995.db2.gz DJHPLUFOMCUDEG-UHFFFAOYSA-N 0 0 126.199 2.012 10 30 AEEERN C#Cc1cncc(OCC2CCC2)c1 606302260 346977095 /nfs/dbraw/zinc/97/70/95/346977095.db2.gz JRLJHRUPCLJGSI-UHFFFAOYSA-N 0 0 187.242 2.242 10 30 AEEERN C#Cc1ccc(Oc2cccnc2)nc1 606302112 346977104 /nfs/dbraw/zinc/97/71/04/346977104.db2.gz CETLWZIWIFPHTN-UHFFFAOYSA-N 0 0 196.209 2.250 10 30 AEEERN C#Cc1ccc(OCCCC)nc1 606302554 346977547 /nfs/dbraw/zinc/97/75/47/346977547.db2.gz PEGXKRJKWAEHSE-UHFFFAOYSA-N 0 0 175.231 2.242 10 30 AEEERN O=CC1CC(Cc2ccccc2)C1 606302655 346977549 /nfs/dbraw/zinc/97/75/49/346977549.db2.gz RLQADZXSUORXLJ-UHFFFAOYSA-N 0 0 174.243 2.454 10 30 AEEERN C#Cc1cncc(O[C@H](C)C2CC2)c1 606302555 346977630 /nfs/dbraw/zinc/97/76/30/346977630.db2.gz PEMWRKIKYRHPSZ-SECBINFHSA-N 0 0 187.242 2.240 10 30 AEEERN C#Cc1cncc(OCCCC)c1 606302551 346977697 /nfs/dbraw/zinc/97/76/97/346977697.db2.gz PBHDFTZVQGEUSN-UHFFFAOYSA-N 0 0 175.231 2.242 10 30 AEEERN C#Cc1cncc(OCCC(C)C)c1 606302330 346977708 /nfs/dbraw/zinc/97/77/08/346977708.db2.gz LHLMAVZFOMKNKJ-UHFFFAOYSA-N 0 0 189.258 2.488 10 30 AEEERN C#Cc1cncc(O[C@@H](C)C2CC2)c1 606302556 346977760 /nfs/dbraw/zinc/97/77/60/346977760.db2.gz PEMWRKIKYRHPSZ-VIFPVBQESA-N 0 0 187.242 2.240 10 30 AEEERN CCCC1CC(C(=O)CC#N)C1 606302631 346977762 /nfs/dbraw/zinc/97/77/62/346977762.db2.gz GZHKLUIEVKVIBU-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN N#CC1CC(Cc2ccccn2)C1 606302756 346978057 /nfs/dbraw/zinc/97/80/57/346978057.db2.gz UYLDXZBEHRSJSM-UHFFFAOYSA-N 0 0 172.231 2.174 10 30 AEEERN N#CC1CC(Cc2cccnc2)C1 606302780 346978084 /nfs/dbraw/zinc/97/80/84/346978084.db2.gz WAYCSWFWPJXSBB-UHFFFAOYSA-N 0 0 172.231 2.174 10 30 AEEERN C#Cc1ccc(OCC2CCC2)nc1 606302828 346978367 /nfs/dbraw/zinc/97/83/67/346978367.db2.gz YPXUKVJUXJGFLH-UHFFFAOYSA-N 0 0 187.242 2.242 10 30 AEEERN N#CC1CC(Cc2ccncc2)C1 606302820 346978407 /nfs/dbraw/zinc/97/84/07/346978407.db2.gz YDRXZRHTSTYLHW-UHFFFAOYSA-N 0 0 172.231 2.174 10 30 AEEERN C=CCCOc1nc(C(C)(C)C)no1 606756078 346983229 /nfs/dbraw/zinc/98/32/29/346983229.db2.gz ZLTLSNBREWQTNJ-UHFFFAOYSA-N 0 0 196.250 2.322 10 30 AEEERN C=CCCN(C)CC(F)(F)F 606897414 346985719 /nfs/dbraw/zinc/98/57/19/346985719.db2.gz GCJWZQPBRFQXQO-UHFFFAOYSA-N 0 0 167.174 2.057 10 30 AEEERN C=CCCCN(C)C(=O)C1CC=CC1 607062913 346987935 /nfs/dbraw/zinc/98/79/35/346987935.db2.gz KRSHDUUKQPJREB-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN CC#CCN1c2ccccc2C[C@H]1C 607723805 346991642 /nfs/dbraw/zinc/99/16/42/346991642.db2.gz AKZAVTRYFVJVGL-LLVKDONJSA-N 0 0 185.270 2.461 10 30 AEEERN CC#CCN1c2ccccc2C[C@@H]1C 607723806 346991813 /nfs/dbraw/zinc/99/18/13/346991813.db2.gz AKZAVTRYFVJVGL-NSHDSACASA-N 0 0 185.270 2.461 10 30 AEEERN CC#CCN1CCc2c(C)cccc21 607727897 346992983 /nfs/dbraw/zinc/99/29/83/346992983.db2.gz DBMYYQURPQCQAS-UHFFFAOYSA-N 0 0 185.270 2.381 10 30 AEEERN C=CCCC(=O)Nc1onc(C)c1C 607988693 346998408 /nfs/dbraw/zinc/99/84/08/346998408.db2.gz KDZFXAUKTXOQFT-UHFFFAOYSA-N 0 0 194.234 2.196 10 30 AEEERN C=CCCCN(C)c1ccnc(C)n1 608086610 346999033 /nfs/dbraw/zinc/99/90/33/346999033.db2.gz FSTRULXNLLNDRC-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=CCNC(=O)NC(CC)(CC)CC 608142719 347000242 /nfs/dbraw/zinc/00/02/42/347000242.db2.gz OQJRGCPGYJVJKH-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C=CCN(CC=C)Cc1ncc(C)o1 608492278 347003480 /nfs/dbraw/zinc/00/34/80/347003480.db2.gz CPYNCSLOXPHIAC-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN C=CCCCN(C)Cc1ncc(C)o1 608501751 347008917 /nfs/dbraw/zinc/00/89/17/347008917.db2.gz XIWSLEUQRBDUFK-UHFFFAOYSA-N 0 0 194.278 2.381 10 30 AEEERN C=CCCC(=O)N(CCC#N)C(C)C 608814494 347014557 /nfs/dbraw/zinc/01/45/57/347014557.db2.gz DFQLAEKPPZNYDF-UHFFFAOYSA-N 0 0 194.278 2.103 10 30 AEEERN CC(C)C[C@@H](C)CC(=O)N(C)CC#N 609016659 347015203 /nfs/dbraw/zinc/01/52/03/347015203.db2.gz BGMVQSWOYIMOJG-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)C[C@H](C)CC(=O)N(C)CC#N 609016657 347015376 /nfs/dbraw/zinc/01/53/76/347015376.db2.gz BGMVQSWOYIMOJG-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN C=CCCCN(CCC#N)CCC#N 610078634 347020878 /nfs/dbraw/zinc/02/08/78/347020878.db2.gz CRNBTXDYYLYFLL-UHFFFAOYSA-N 0 0 191.278 2.082 10 30 AEEERN N#Cc1cnn(CCCC2CCC2)c1 610369866 347023678 /nfs/dbraw/zinc/02/36/78/347023678.db2.gz AVITXMYEGHCBBL-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN N#CCN1CC[C@H]1c1cccc(F)c1 610505314 347025917 /nfs/dbraw/zinc/02/59/17/347025917.db2.gz GPJKZUNXVRFBDB-NSHDSACASA-N 0 0 190.221 2.096 10 30 AEEERN N#CCN1CC[C@@H]1c1cccc(F)c1 610505313 347025931 /nfs/dbraw/zinc/02/59/31/347025931.db2.gz GPJKZUNXVRFBDB-LLVKDONJSA-N 0 0 190.221 2.096 10 30 AEEERN C[C@@H](c1ccco1)N(CC#N)C1CC1 610663332 347027988 /nfs/dbraw/zinc/02/79/88/347027988.db2.gz GXULGGOOXMJBBI-VIFPVBQESA-N 0 0 190.246 2.329 10 30 AEEERN C[C@H](c1ccco1)N(CC#N)C1CC1 610663328 347028110 /nfs/dbraw/zinc/02/81/10/347028110.db2.gz GXULGGOOXMJBBI-SECBINFHSA-N 0 0 190.246 2.329 10 30 AEEERN CC(C)=CCN(CCC#N)CCC#N 610659081 347028311 /nfs/dbraw/zinc/02/83/11/347028311.db2.gz BOHQPPWSRAQXTR-UHFFFAOYSA-N 0 0 191.278 2.082 10 30 AEEERN CC[C@H](C)CN(CC#N)C1CC1 610675355 347028741 /nfs/dbraw/zinc/02/87/41/347028741.db2.gz APYJDOBKLOZEDS-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN CCN(CC#N)CCCOC(C)(C)C 610681354 347028779 /nfs/dbraw/zinc/02/87/79/347028779.db2.gz CMDXOGVVMGFIAH-UHFFFAOYSA-N 0 0 198.310 2.037 10 30 AEEERN CC[C@@H](C)CN(CC#N)C1CC1 610675354 347029038 /nfs/dbraw/zinc/02/90/38/347029038.db2.gz APYJDOBKLOZEDS-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CC1(C)CN(CC#N)c2ccccc21 610710720 347029987 /nfs/dbraw/zinc/02/99/87/347029987.db2.gz FAUGJDLDCMMQAY-UHFFFAOYSA-N 0 0 186.258 2.308 10 30 AEEERN COCCCCn1cc(C)c(C#N)c1 611167076 347035342 /nfs/dbraw/zinc/03/53/42/347035342.db2.gz ALPORECPKIXULT-UHFFFAOYSA-N 0 0 192.262 2.095 10 30 AEEERN CCC(CC)[C@@H](C)C(=O)N(C)CC#N 611184788 347035480 /nfs/dbraw/zinc/03/54/80/347035480.db2.gz GVTMENZOHBCTMI-SECBINFHSA-N 0 0 196.294 2.041 10 30 AEEERN N#CCCCN1CCC[C@H]1C(F)F 611180730 347035610 /nfs/dbraw/zinc/03/56/10/347035610.db2.gz OHLWBKCWHMZPBV-QMMMGPOBSA-N 0 0 188.221 2.020 10 30 AEEERN CCC(CC)[C@H](C)C(=O)N(C)CC#N 611184789 347035649 /nfs/dbraw/zinc/03/56/49/347035649.db2.gz GVTMENZOHBCTMI-VIFPVBQESA-N 0 0 196.294 2.041 10 30 AEEERN N#CCN(C[C@H]1CC=CCC1)C1CC1 611264916 347036903 /nfs/dbraw/zinc/03/69/03/347036903.db2.gz GSFFBWYZCHCYII-NSHDSACASA-N 0 0 190.290 2.331 10 30 AEEERN N#CCN(C[C@@H]1CC=CCC1)C1CC1 611264915 347037094 /nfs/dbraw/zinc/03/70/94/347037094.db2.gz GSFFBWYZCHCYII-LLVKDONJSA-N 0 0 190.290 2.331 10 30 AEEERN CCC(CC)CN(CC#N)C1CC1 611265089 347037138 /nfs/dbraw/zinc/03/71/38/347037138.db2.gz DZFPHFXAGZIVMW-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN C=C(CC)CN(CCC#N)CCC#N 611348663 347037749 /nfs/dbraw/zinc/03/77/49/347037749.db2.gz CKXVHGYTPPEKJU-UHFFFAOYSA-N 0 0 191.278 2.082 10 30 AEEERN C=C(CC)Cn1cc([N+](=O)[O-])c(C)n1 611534403 347039288 /nfs/dbraw/zinc/03/92/88/347039288.db2.gz FZIOKIWXSUMITA-UHFFFAOYSA-N 0 0 195.222 2.066 10 30 AEEERN C=CCCCn1cc([N+](=O)[O-])c(C)n1 611534406 347039695 /nfs/dbraw/zinc/03/96/95/347039695.db2.gz GVODJVACAJAGGD-UHFFFAOYSA-N 0 0 195.222 2.066 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1CCC1(C)C 612265519 347046872 /nfs/dbraw/zinc/04/68/72/347046872.db2.gz ZQDQVCDJTXNPQF-DTWKUNHWSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 612264837 347046939 /nfs/dbraw/zinc/04/69/39/347046939.db2.gz SHTQMJZMDDBJPR-ZDCRXTMVSA-N 0 0 193.290 2.113 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@H]1CCC1(C)C 612265521 347046956 /nfs/dbraw/zinc/04/69/56/347046956.db2.gz ZQDQVCDJTXNPQF-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC1(C)C 612265520 347046979 /nfs/dbraw/zinc/04/69/79/347046979.db2.gz ZQDQVCDJTXNPQF-IUCAKERBSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@H]1CCC1(C)C 612265518 347047039 /nfs/dbraw/zinc/04/70/39/347047039.db2.gz ZQDQVCDJTXNPQF-BDAKNGLRSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 612264836 347047078 /nfs/dbraw/zinc/04/70/78/347047078.db2.gz SHTQMJZMDDBJPR-UKKRHICBSA-N 0 0 193.290 2.113 10 30 AEEERN CC(C)C[C@H](C)C(=O)NC(C)(C)C#N 613188372 347056261 /nfs/dbraw/zinc/05/62/61/347056261.db2.gz PHVSMRWBKPQGRL-VIFPVBQESA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@H](C#N)NC(=O)[C@H](C)CC(C)C 613189597 347056290 /nfs/dbraw/zinc/05/62/90/347056290.db2.gz GYUADCIWFNJWCO-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@H](C#N)NC(=O)[C@@H](C)CC(C)C 613189598 347056296 /nfs/dbraw/zinc/05/62/96/347056296.db2.gz GYUADCIWFNJWCO-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@H](C)C(=O)NCCCC#N 613191709 347056310 /nfs/dbraw/zinc/05/63/10/347056310.db2.gz VVNYJKSALXCQCY-JTQLQIEISA-N 0 0 196.294 2.089 10 30 AEEERN CC[C@H](C#N)NC(=O)[C@@H](C)CC(C)C 613189599 347056328 /nfs/dbraw/zinc/05/63/28/347056328.db2.gz GYUADCIWFNJWCO-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@@H](C)C(=O)NCCCC#N 613191711 347056375 /nfs/dbraw/zinc/05/63/75/347056375.db2.gz VVNYJKSALXCQCY-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN CC(C)C[C@@H](C)C(=O)NC(C)(C)C#N 613188371 347056379 /nfs/dbraw/zinc/05/63/79/347056379.db2.gz PHVSMRWBKPQGRL-SECBINFHSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@H](C#N)NC(=O)[C@H](C)CC(C)C 613189600 347056381 /nfs/dbraw/zinc/05/63/81/347056381.db2.gz GYUADCIWFNJWCO-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@H](C)C(=O)N[C@@H](C)CC#N 613229152 347056828 /nfs/dbraw/zinc/05/68/28/347056828.db2.gz CWRDENOJQHSKNH-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@@H](C)C(=O)N[C@H](C)CC#N 613229151 347056845 /nfs/dbraw/zinc/05/68/45/347056845.db2.gz CWRDENOJQHSKNH-NXEZZACHSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@H](C)C(=O)N[C@H](C)CC#N 613229153 347056976 /nfs/dbraw/zinc/05/69/76/347056976.db2.gz CWRDENOJQHSKNH-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@@H](C)C(=O)N(C)CCC#N 613229012 347057028 /nfs/dbraw/zinc/05/70/28/347057028.db2.gz AHPXCNKYNJXFII-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)C[C@@H](C)C(=O)N[C@@H](C)CC#N 613229154 347057040 /nfs/dbraw/zinc/05/70/40/347057040.db2.gz CWRDENOJQHSKNH-ZJUUUORDSA-N 0 0 196.294 2.087 10 30 AEEERN CC(C)C[C@H](C)C(=O)N(C)CCC#N 613229009 347057116 /nfs/dbraw/zinc/05/71/16/347057116.db2.gz AHPXCNKYNJXFII-JTQLQIEISA-N 0 0 196.294 2.041 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 613304972 347057684 /nfs/dbraw/zinc/05/76/84/347057684.db2.gz KWZHFNVLFBWQOY-URLYPYJESA-N 0 0 193.290 2.067 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H]1CCC1(C)C 613304659 347057687 /nfs/dbraw/zinc/05/76/87/347057687.db2.gz HIZZQCKSOOWXML-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1CCC1(C)C 613304654 347057721 /nfs/dbraw/zinc/05/77/21/347057721.db2.gz HIZZQCKSOOWXML-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN CCN(CC#N)C(=O)C(C)(CC)CC 613396760 347058798 /nfs/dbraw/zinc/05/87/98/347058798.db2.gz BGDZAXFANYPURU-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CC#N 613396807 347058828 /nfs/dbraw/zinc/05/88/28/347058828.db2.gz LXFZBIGMWNQYCX-ZJUUUORDSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CC#N 613396801 347058834 /nfs/dbraw/zinc/05/88/34/347058834.db2.gz LXFZBIGMWNQYCX-NXEZZACHSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)CC#N 613396805 347058836 /nfs/dbraw/zinc/05/88/36/347058836.db2.gz LXFZBIGMWNQYCX-VHSXEESVSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CC#N 613396804 347058856 /nfs/dbraw/zinc/05/88/56/347058856.db2.gz LXFZBIGMWNQYCX-UWVGGRQHSA-N 0 0 194.278 2.007 10 30 AEEERN C=C(C)CN1CCOc2ccccc21 613433031 347059348 /nfs/dbraw/zinc/05/93/48/347059348.db2.gz ARZOPKBLLJQAHB-UHFFFAOYSA-N 0 0 189.258 2.462 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 613663863 347062148 /nfs/dbraw/zinc/06/21/48/347062148.db2.gz COULSSBYVJEAHH-HBNTYKKESA-N 0 0 193.290 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC1(C)C 613663843 347062236 /nfs/dbraw/zinc/06/22/36/347062236.db2.gz BLKGITHYANKPKW-VIFPVBQESA-N 0 0 181.279 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC1(C)C 613663842 347062393 /nfs/dbraw/zinc/06/23/93/347062393.db2.gz BLKGITHYANKPKW-SECBINFHSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC1(C)C 613665124 347062895 /nfs/dbraw/zinc/06/28/95/347062895.db2.gz MERHPIVJCNJLJE-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 613671967 347063142 /nfs/dbraw/zinc/06/31/42/347063142.db2.gz VEKZIFKFSCIZJP-HBNTYKKESA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 613671968 347063188 /nfs/dbraw/zinc/06/31/88/347063188.db2.gz VEKZIFKFSCIZJP-MXWKQRLJSA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CNC(=O)[C@H]1CCC1(C)C 613665116 347063196 /nfs/dbraw/zinc/06/31/96/347063196.db2.gz MERHPIVJCNJLJE-SECBINFHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 613663864 347063198 /nfs/dbraw/zinc/06/31/98/347063198.db2.gz COULSSBYVJEAHH-MXWKQRLJSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCN(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 613842195 347064152 /nfs/dbraw/zinc/06/41/52/347064152.db2.gz DPSDLQWZELBQCK-URLYPYJESA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCN(C)C(=O)[C@@H]1CCC1(C)C 613842688 347064240 /nfs/dbraw/zinc/06/42/40/347064240.db2.gz SJGKAFVJUCINME-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCN(C)C(=O)[C@H]1CCC1(C)C 613842689 347064299 /nfs/dbraw/zinc/06/42/99/347064299.db2.gz SJGKAFVJUCINME-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C[C@H](C#N)NC(=O)[C@H](C)CC(C)(C)C 613876093 347065038 /nfs/dbraw/zinc/06/50/38/347065038.db2.gz OKAPWBGRWKTDMK-RKDXNWHRSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@@H](CC(C)(C)C)C(=O)N(C)CC#N 613874848 347065130 /nfs/dbraw/zinc/06/51/30/347065130.db2.gz PSTGMNPZGVCFHV-VIFPVBQESA-N 0 0 196.294 2.041 10 30 AEEERN C[C@@H](CC(C)(C)C)C(=O)N[C@H](C)C#N 613876090 347065198 /nfs/dbraw/zinc/06/51/98/347065198.db2.gz OKAPWBGRWKTDMK-DTWKUNHWSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@H](CC(C)(C)C)C(=O)N(C)CC#N 613874846 347065173 /nfs/dbraw/zinc/06/51/73/347065173.db2.gz PSTGMNPZGVCFHV-SECBINFHSA-N 0 0 196.294 2.041 10 30 AEEERN C[C@@H](C#N)NC(=O)[C@@H](C)CC(C)(C)C 613876092 347065206 /nfs/dbraw/zinc/06/52/06/347065206.db2.gz OKAPWBGRWKTDMK-IUCAKERBSA-N 0 0 196.294 2.087 10 30 AEEERN C[C@@H](C#N)NC(=O)[C@H](C)CC(C)(C)C 613876083 347065219 /nfs/dbraw/zinc/06/52/19/347065219.db2.gz OKAPWBGRWKTDMK-BDAKNGLRSA-N 0 0 196.294 2.087 10 30 AEEERN C=CCCCNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 614210925 347068367 /nfs/dbraw/zinc/06/83/67/347068367.db2.gz WEMQUNVRXXTZLA-URLYPYJESA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CCN(CCC#N)CCC#N 614176920 347068710 /nfs/dbraw/zinc/06/87/10/347068710.db2.gz AYZAGGRDYCTLGJ-UHFFFAOYSA-N 0 0 191.278 2.082 10 30 AEEERN CCC(=O)N(CCC#N)C(C)(C)CC 614307674 347070038 /nfs/dbraw/zinc/07/00/38/347070038.db2.gz FPVJLNNMAQSFDB-UHFFFAOYSA-N 0 0 196.294 2.327 10 30 AEEERN CCC[C@H](C)CN1CC[C@@](F)(C#N)C1 615651076 347082449 /nfs/dbraw/zinc/08/24/49/347082449.db2.gz PDAISVYMMYWTCN-WDEREUQCSA-N 0 0 198.285 2.360 10 30 AEEERN CCC[C@@H](C)CN1CC[C@@](F)(C#N)C1 615651071 347082608 /nfs/dbraw/zinc/08/26/08/347082608.db2.gz PDAISVYMMYWTCN-GHMZBOCLSA-N 0 0 198.285 2.360 10 30 AEEERN CCC[C@@H](C)CN1CC[C@](F)(C#N)C1 615651073 347082618 /nfs/dbraw/zinc/08/26/18/347082618.db2.gz PDAISVYMMYWTCN-MNOVXSKESA-N 0 0 198.285 2.360 10 30 AEEERN COC(C)(C)CCn1ccc(C#N)c1 615689950 347082644 /nfs/dbraw/zinc/08/26/44/347082644.db2.gz PUNPUQQUDMVZJX-UHFFFAOYSA-N 0 0 192.262 2.175 10 30 AEEERN Cc1ccc(N2CC=CCC2)nc1C#N 615711521 347083258 /nfs/dbraw/zinc/08/32/58/347083258.db2.gz FGJTUMJLFVOXJW-UHFFFAOYSA-N 0 0 199.257 2.028 10 30 AEEERN C=C(C)CCNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 615827036 347087890 /nfs/dbraw/zinc/08/78/90/347087890.db2.gz NKVQFRGHAIKUGL-URLYPYJESA-N 0 0 193.290 2.115 10 30 AEEERN C=CCNC(=O)N(CC)C1CCCC1 615925661 347089335 /nfs/dbraw/zinc/08/93/35/347089335.db2.gz UKTUFLJZZJQCFS-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=C(CC)CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 616115793 347091490 /nfs/dbraw/zinc/09/14/90/347091490.db2.gz MLVUQTGDHGJJNO-URLYPYJESA-N 0 0 193.290 2.115 10 30 AEEERN N#Cc1ccc(/C=C\c2cocn2)nc1 616196486 347091985 /nfs/dbraw/zinc/09/19/85/347091985.db2.gz DNJHHAKVSGSGFW-ARJAWSKDSA-N 0 0 197.197 2.112 10 30 AEEERN N#Cc1ccc(/C=C/c2cocn2)nc1 616196490 347092205 /nfs/dbraw/zinc/09/22/05/347092205.db2.gz DNJHHAKVSGSGFW-ONEGZZNKSA-N 0 0 197.197 2.112 10 30 AEEERN COc1cccc2[nH]c(CS)nc12 616569580 347097260 /nfs/dbraw/zinc/09/72/60/347097260.db2.gz WHPBENYWMQJQHQ-UHFFFAOYSA-N 0 0 194.259 2.001 10 30 AEEERN COc1cccc(S[C@@H](C)C=O)c1 616570716 347098859 /nfs/dbraw/zinc/09/88/59/347098859.db2.gz CLTUKGKUUKQQNT-QMMMGPOBSA-N 0 0 196.271 2.375 10 30 AEEERN COc1cccc(S[C@H](C)C=O)c1 616570703 347099116 /nfs/dbraw/zinc/09/91/16/347099116.db2.gz CLTUKGKUUKQQNT-MRVPVSSYSA-N 0 0 196.271 2.375 10 30 AEEERN COc1ccccc1S[C@@H](C)C=O 616574043 347101654 /nfs/dbraw/zinc/10/16/54/347101654.db2.gz XMLPDAZZNGCJJC-QMMMGPOBSA-N 0 0 196.271 2.375 10 30 AEEERN COc1ccccc1S[C@H](C)C=O 616574041 347101864 /nfs/dbraw/zinc/10/18/64/347101864.db2.gz XMLPDAZZNGCJJC-MRVPVSSYSA-N 0 0 196.271 2.375 10 30 AEEERN N#Cc1ccc2cc(C3(O)CC3)[nH]c2c1 616574025 347101878 /nfs/dbraw/zinc/10/18/78/347101878.db2.gz NWNNGZDCWOIHPT-UHFFFAOYSA-N 0 0 198.225 2.021 10 30 AEEERN CC(C)(C)C#C[C@@H]1CCC[C@H]1O 616581025 347104717 /nfs/dbraw/zinc/10/47/17/347104717.db2.gz BVIWCCYDCKVATF-VHSXEESVSA-N 0 0 166.264 2.197 10 30 AEEERN O[C@@H]1CCC[C@H]1C#Cc1ccsc1 616581307 347104818 /nfs/dbraw/zinc/10/48/18/347104818.db2.gz MYQXGQNMQQSIJD-WDEREUQCSA-N 0 0 192.283 2.261 10 30 AEEERN Cc1occ(C(F)(F)F)c1C#N 616583004 347105778 /nfs/dbraw/zinc/10/57/78/347105778.db2.gz SWUZLYTXJFPURQ-UHFFFAOYSA-N 0 0 175.109 2.479 10 30 AEEERN C=CCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 617611144 347176544 /nfs/dbraw/zinc/17/65/44/347176544.db2.gz MZCJHMRQXDLGFX-HBNTYKKESA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCNC(=O)[C@H]1CCC1(C)C 617611192 347176855 /nfs/dbraw/zinc/17/68/55/347176855.db2.gz PABVGHDBHVBCIM-SECBINFHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 617611145 347176903 /nfs/dbraw/zinc/17/69/03/347176903.db2.gz MZCJHMRQXDLGFX-MXWKQRLJSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCNC(=O)[C@@H]1CCC1(C)C 617611193 347176973 /nfs/dbraw/zinc/17/69/73/347176973.db2.gz PABVGHDBHVBCIM-VIFPVBQESA-N 0 0 181.279 2.115 10 30 AEEERN C=CCCNC(=O)[C@H]1CC=CCC1 617612605 347177448 /nfs/dbraw/zinc/17/74/48/347177448.db2.gz FLNCDGPHSSRUGI-JTQLQIEISA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCNC(=O)C[C@@H]1C=CCC1 617612602 347177576 /nfs/dbraw/zinc/17/75/76/347177576.db2.gz FJYYETHYJBDUQX-SNVBAGLBSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCNC(=O)[C@@H]1CC=CCC1 617612606 347177582 /nfs/dbraw/zinc/17/75/82/347177582.db2.gz FLNCDGPHSSRUGI-SNVBAGLBSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCNC(=O)C[C@H]1C=CCC1 617612601 347177818 /nfs/dbraw/zinc/17/78/18/347177818.db2.gz FJYYETHYJBDUQX-JTQLQIEISA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCNC(=O)C/C=C(\C)C=C 617617738 347178880 /nfs/dbraw/zinc/17/88/80/347178880.db2.gz RQBCBYTUKMFBCS-JXMROGBWSA-N 0 0 179.263 2.201 10 30 AEEERN C=CCCNC(=O)[C@H](C)CC(=C)C 617617718 347178957 /nfs/dbraw/zinc/17/89/57/347178957.db2.gz RBMJBRDIVJOQEJ-SNVBAGLBSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCCNC(=O)[C@@H](C)CC(=C)C 617617717 347179053 /nfs/dbraw/zinc/17/90/53/347179053.db2.gz RBMJBRDIVJOQEJ-JTQLQIEISA-N 0 0 181.279 2.281 10 30 AEEERN C=CCCNC(=O)C/C=C(/C)C=C 617617739 347179252 /nfs/dbraw/zinc/17/92/52/347179252.db2.gz RQBCBYTUKMFBCS-YFHOEESVSA-N 0 0 179.263 2.201 10 30 AEEERN C=CCCNC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 617618399 347179643 /nfs/dbraw/zinc/17/96/43/347179643.db2.gz NQFUDENSIDSFNB-PEGIJTEDSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCNC(=O)[C@@H](C)CC(C)C 617617895 347179695 /nfs/dbraw/zinc/17/96/95/347179695.db2.gz ZVYMTPJVHGKQJQ-JTQLQIEISA-N 0 0 183.295 2.361 10 30 AEEERN C=CCCNC(=O)[C@H](C)CC(C)C 617617896 347179708 /nfs/dbraw/zinc/17/97/08/347179708.db2.gz ZVYMTPJVHGKQJQ-SNVBAGLBSA-N 0 0 183.295 2.361 10 30 AEEERN C=CC[C@H]1CCCN(C(=O)C(C)C)C1 617786911 347184551 /nfs/dbraw/zinc/18/45/51/347184551.db2.gz CYJKDUPNIKBXBM-NSHDSACASA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@@H]1CCCN(C(=O)C(C)C)C1 617786910 347184792 /nfs/dbraw/zinc/18/47/92/347184792.db2.gz CYJKDUPNIKBXBM-LLVKDONJSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCOc1ccc(C#N)c(OC)c1 618101136 347186181 /nfs/dbraw/zinc/18/61/81/347186181.db2.gz FUNXJAPMXLWOMZ-UHFFFAOYSA-N 0 0 189.214 2.132 10 30 AEEERN C=C1CCCN(Cc2coc(C)n2)C1 618254163 347187454 /nfs/dbraw/zinc/18/74/54/347187454.db2.gz KWFCQLZEZDOYNN-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=C1CCC(NC(=O)C2CCC2)CC1 618254331 347187496 /nfs/dbraw/zinc/18/74/96/347187496.db2.gz WUWBNNOEXCDKOF-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN CC1(CN2CC[C@@](F)(C#N)C2)CCC1 618610378 347191741 /nfs/dbraw/zinc/19/17/41/347191741.db2.gz CAPWEBSTOFEYRU-LLVKDONJSA-N 0 0 196.269 2.114 10 30 AEEERN CC1(CN2CC[C@](F)(C#N)C2)CCC1 618610383 347191774 /nfs/dbraw/zinc/19/17/74/347191774.db2.gz CAPWEBSTOFEYRU-NSHDSACASA-N 0 0 196.269 2.114 10 30 AEEERN CCCC(C)(C)CC(=O)N[C@@H](C)C#N 618682098 347192014 /nfs/dbraw/zinc/19/20/14/347192014.db2.gz PGPGXEJUAFAKJJ-VIFPVBQESA-N 0 0 196.294 2.231 10 30 AEEERN CCCC(C)(C)CC(=O)N(C)CC#N 618821196 347193210 /nfs/dbraw/zinc/19/32/10/347193210.db2.gz LVNBOOHELWQFBH-UHFFFAOYSA-N 0 0 196.294 2.185 10 30 AEEERN C=CCCCNC(=O)CC(C)(C)C#N 619209156 347197619 /nfs/dbraw/zinc/19/76/19/347197619.db2.gz ONNQRCYHQJVPEE-UHFFFAOYSA-N 0 0 194.278 2.009 10 30 AEEERN C[C@@H](C#N)CN(CC1(F)CC1)C1CC1 619424609 347199770 /nfs/dbraw/zinc/19/97/70/347199770.db2.gz RQPYFBKLQIIRBA-VIFPVBQESA-N 0 0 196.269 2.113 10 30 AEEERN N#CCCN(CC1CC1)CC1(F)CC1 619424224 347199835 /nfs/dbraw/zinc/19/98/35/347199835.db2.gz UIJFSXIOYIMUOE-UHFFFAOYSA-N 0 0 196.269 2.114 10 30 AEEERN C[C@H](C#N)CN(CC1(F)CC1)C1CC1 619424608 347199886 /nfs/dbraw/zinc/19/98/86/347199886.db2.gz RQPYFBKLQIIRBA-SECBINFHSA-N 0 0 196.269 2.113 10 30 AEEERN CCC[C@](C)(CC)C(=O)N(C)CC#N 619432797 347200323 /nfs/dbraw/zinc/20/03/23/347200323.db2.gz GNFABFGYQWOLNG-NSHDSACASA-N 0 0 196.294 2.185 10 30 AEEERN CCC[C@@](C)(CC)C(=O)N(C)CC#N 619432796 347200413 /nfs/dbraw/zinc/20/04/13/347200413.db2.gz GNFABFGYQWOLNG-LLVKDONJSA-N 0 0 196.294 2.185 10 30 AEEERN C[C@]1(C#N)CCCN(CC2(F)CC2)C1 619428781 347200421 /nfs/dbraw/zinc/20/04/21/347200421.db2.gz JYVKLWRPTIOTIY-SNVBAGLBSA-N 0 0 196.269 2.114 10 30 AEEERN CC[C@H](C)COc1cccnc1C#N 619460840 347200437 /nfs/dbraw/zinc/20/04/37/347200437.db2.gz WNWZMPVCGZYSIZ-VIFPVBQESA-N 0 0 190.246 2.378 10 30 AEEERN C=C(CC)COc1cccnc1C#N 619460868 347200444 /nfs/dbraw/zinc/20/04/44/347200444.db2.gz MWTVPGMRRTWYDN-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN C[C@@]1(C#N)CCCN(CC2(F)CC2)C1 619428780 347200556 /nfs/dbraw/zinc/20/05/56/347200556.db2.gz JYVKLWRPTIOTIY-JTQLQIEISA-N 0 0 196.269 2.114 10 30 AEEERN CC[C@@H](C)COc1cccnc1C#N 619460839 347200591 /nfs/dbraw/zinc/20/05/91/347200591.db2.gz WNWZMPVCGZYSIZ-SECBINFHSA-N 0 0 190.246 2.378 10 30 AEEERN C=CCCCn1cc(C)c([N+](=O)[O-])n1 619571295 347202692 /nfs/dbraw/zinc/20/26/92/347202692.db2.gz AAZATOXXPHCSFZ-UHFFFAOYSA-N 0 0 195.222 2.066 10 30 AEEERN C=C(CC)Cn1cc(C)c([N+](=O)[O-])n1 619745433 347205991 /nfs/dbraw/zinc/20/59/91/347205991.db2.gz BUCGXEGJUAYWFK-UHFFFAOYSA-N 0 0 195.222 2.066 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC 620316599 347213074 /nfs/dbraw/zinc/21/30/74/347213074.db2.gz FCKYMDJBPXVCPM-PHIMTYICSA-N 0 0 193.290 2.496 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)C 620314634 347213128 /nfs/dbraw/zinc/21/31/28/347213128.db2.gz OPIYQYZNCYFFLE-PHIMTYICSA-N 0 0 193.290 2.352 10 30 AEEERN C=CCNC(=O)N(CC)[C@H](C)C(C)C 620817381 347217738 /nfs/dbraw/zinc/21/77/38/347217738.db2.gz LSQHXUMKSXLVMZ-SNVBAGLBSA-N 0 0 198.310 2.248 10 30 AEEERN C=CCCC(=O)NC1CC(C)(C)C1 620744523 347217760 /nfs/dbraw/zinc/21/77/60/347217760.db2.gz JTLODSRHBYQHGQ-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN C=CCNC(=O)N(CC)[C@@H](C)C(C)C 620817380 347217817 /nfs/dbraw/zinc/21/78/17/347217817.db2.gz LSQHXUMKSXLVMZ-JTQLQIEISA-N 0 0 198.310 2.248 10 30 AEEERN C=CC(C)(C)C(=O)N1CC2CC1(C)C2 621218165 347223870 /nfs/dbraw/zinc/22/38/70/347223870.db2.gz WZFXHXPUISNEOC-UHFFFAOYSA-N 0 0 193.290 2.210 10 30 AEEERN C=CCNC(=O)N(CCC)CC(C)C 622069758 347239305 /nfs/dbraw/zinc/23/93/05/347239305.db2.gz ZZABFPJOVFHPKU-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN C=CCCC(=O)N1CC(CC2CC2)C1 622250429 347240735 /nfs/dbraw/zinc/24/07/35/347240735.db2.gz JUPVLBQNQDMYOW-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=CCNC(=O)NCCC(C)(C)C=C 623337798 347254772 /nfs/dbraw/zinc/25/47/72/347254772.db2.gz XDRNDMITALDIET-UHFFFAOYSA-N 0 0 196.294 2.074 10 30 AEEERN C=CC(C)(C)CCNC(=O)NC(C)C 623336112 347254812 /nfs/dbraw/zinc/25/48/12/347254812.db2.gz WDMVKYHBABBGKJ-UHFFFAOYSA-N 0 0 198.310 2.296 10 30 AEEERN C=CC[C@H]1CCN(C(=O)NC(C)C)C1 623336588 347254828 /nfs/dbraw/zinc/25/48/28/347254828.db2.gz YUXUEPUCDOZTHF-JTQLQIEISA-N 0 0 196.294 2.002 10 30 AEEERN C=CC(C)(C)CCNC(=O)NC1CC1 623338412 347254848 /nfs/dbraw/zinc/25/48/48/347254848.db2.gz ZOBQKKBQFYNMLN-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)NC(C)C)C1 623336589 347254882 /nfs/dbraw/zinc/25/48/82/347254882.db2.gz YUXUEPUCDOZTHF-SNVBAGLBSA-N 0 0 196.294 2.002 10 30 AEEERN C=CC[C@H]1CCN(C(=O)NCCC)C1 623368275 347256046 /nfs/dbraw/zinc/25/60/46/347256046.db2.gz AZBRAVWDRWDLAN-JTQLQIEISA-N 0 0 196.294 2.004 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)NCCC)C1 623368276 347256201 /nfs/dbraw/zinc/25/62/01/347256201.db2.gz AZBRAVWDRWDLAN-SNVBAGLBSA-N 0 0 196.294 2.004 10 30 AEEERN C=CC(C)(C)CCNC(=O)NCCC 623368418 347256225 /nfs/dbraw/zinc/25/62/25/347256225.db2.gz FLCGXUMCBLKKLN-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN C=CCCCCNC(=O)NC/C=C/C 623898364 347266746 /nfs/dbraw/zinc/26/67/46/347266746.db2.gz GQMRABAVMSKJQI-GQCTYLIASA-N 0 0 196.294 2.218 10 30 AEEERN C=CCCCCNC(=O)NC/C=C\C 623898365 347266953 /nfs/dbraw/zinc/26/69/53/347266953.db2.gz GQMRABAVMSKJQI-XQRVVYSFSA-N 0 0 196.294 2.218 10 30 AEEERN C=CC[C@@H](CC)NC(=O)NC/C=C/C 623990510 347268268 /nfs/dbraw/zinc/26/82/68/347268268.db2.gz FLDWSYKOJOVSKT-LJJSCBMDSA-N 0 0 196.294 2.216 10 30 AEEERN C=C(C)CN(CC)C(=O)C12CC(C1)C2 623989958 347268347 /nfs/dbraw/zinc/26/83/47/347268347.db2.gz NORGOUHEEDNARY-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=CC[C@H](CC)NC(=O)NC/C=C/C 623990511 347268729 /nfs/dbraw/zinc/26/87/29/347268729.db2.gz FLDWSYKOJOVSKT-QBBOHKLWSA-N 0 0 196.294 2.216 10 30 AEEERN C=CC[C@H](CC)NC(=O)NC/C=C\C 623990512 347268823 /nfs/dbraw/zinc/26/88/23/347268823.db2.gz FLDWSYKOJOVSKT-VAWSOJLPSA-N 0 0 196.294 2.216 10 30 AEEERN C=C(C)CN(C)c1ncccc1OC 624088444 347269115 /nfs/dbraw/zinc/26/91/15/347269115.db2.gz IDNXJYFIMAAJAR-UHFFFAOYSA-N 0 0 192.262 2.103 10 30 AEEERN C=CC(C)(C)CNC(=O)NC/C=C/C 624156114 347270877 /nfs/dbraw/zinc/27/08/77/347270877.db2.gz QHEAGAKCMJKNKD-FNORWQNLSA-N 0 0 196.294 2.074 10 30 AEEERN C=CC(C)(C)CNC(=O)NC/C=C\C 624156113 347271273 /nfs/dbraw/zinc/27/12/73/347271273.db2.gz QHEAGAKCMJKNKD-ALCCZGGFSA-N 0 0 196.294 2.074 10 30 AEEERN C=CC(C)(C)CCNC(=O)N1CCC1 624463801 347278399 /nfs/dbraw/zinc/27/83/99/347278399.db2.gz YKMCAWGMHXVVJR-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCNC(=O)N(CC(C)C)C(C)C 624559107 347279256 /nfs/dbraw/zinc/27/92/56/347279256.db2.gz SUXDMGUNPBISKC-UHFFFAOYSA-N 0 0 198.310 2.248 10 30 AEEERN C=CCCc1noc(C23CC(C2)C3)n1 624637413 347279899 /nfs/dbraw/zinc/27/98/99/347279899.db2.gz ATKHOCRBBBETDC-UHFFFAOYSA-N 0 0 190.246 2.240 10 30 AEEERN C=CCCCN(C)C(=O)NC/C=C\C 624827235 347282998 /nfs/dbraw/zinc/28/29/98/347282998.db2.gz XLPWVIHYFYGUOY-ALCCZGGFSA-N 0 0 196.294 2.170 10 30 AEEERN C=CC(C)(C)CCNC(=O)N(C)CC 625325815 347285181 /nfs/dbraw/zinc/28/51/81/347285181.db2.gz FZWZYNHSRVKYKM-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN C=CC(C)(C)CCNC(=O)CC 625326462 347285512 /nfs/dbraw/zinc/28/55/12/347285512.db2.gz VJDAUJQDBDSBPT-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCCN(C)C(=O)C12CC(C1)C2 625724533 347291179 /nfs/dbraw/zinc/29/11/79/347291179.db2.gz JACYBNOOOXDMOF-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H]1CCCC12CC2 626067096 347296712 /nfs/dbraw/zinc/29/67/12/347296712.db2.gz ZIGOYOBHSZSWAC-VHSXEESVSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@H]1CCCC12CC2 626067094 347296991 /nfs/dbraw/zinc/29/69/91/347296991.db2.gz ZIGOYOBHSZSWAC-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CCCC12CC2 626067095 347297026 /nfs/dbraw/zinc/29/70/26/347297026.db2.gz ZIGOYOBHSZSWAC-UWVGGRQHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@H]1CCCC12CC2 626067097 347297802 /nfs/dbraw/zinc/29/78/02/347297802.db2.gz ZIGOYOBHSZSWAC-ZJUUUORDSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCCCCNC(=O)C12CC(C1)C2 626490685 347301419 /nfs/dbraw/zinc/30/14/19/347301419.db2.gz XKXDUUPOTNMXBH-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=CC[C@@H](CC)NC(=O)C12CC(C1)C2 626852056 347302343 /nfs/dbraw/zinc/30/23/43/347302343.db2.gz ZPGIOJWLWXQJLE-SQLBVSGCSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC(C)(C)CNC(=O)C12CC(C1)C2 627622871 347305483 /nfs/dbraw/zinc/30/54/83/347305483.db2.gz BABOWEXNYBHSCD-UHFFFAOYSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCNC(=O)[C@H]1CCCC12CC2 628058248 347306015 /nfs/dbraw/zinc/30/60/15/347306015.db2.gz DGGCINZYWBEYOZ-SNVBAGLBSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCCNC(=O)[C@@H]1CCCC12CC2 628058247 347306291 /nfs/dbraw/zinc/30/62/91/347306291.db2.gz DGGCINZYWBEYOZ-JTQLQIEISA-N 0 0 193.290 2.259 10 30 AEEERN C=CCN(CC=C)Cc1cnc(C)o1 628118894 347307194 /nfs/dbraw/zinc/30/71/94/347307194.db2.gz OVBPXTGCNCDPLQ-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN C=C1CCN(Cc2cnc(C)o2)CC1 628164420 347308251 /nfs/dbraw/zinc/30/82/51/347308251.db2.gz PQQMCWDTQYEKKX-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=CCCCN(C)Cc1nc(C)c[nH]1 628180239 347309188 /nfs/dbraw/zinc/30/91/88/347309188.db2.gz HIIDKRDSWADUPT-UHFFFAOYSA-N 0 0 193.294 2.116 10 30 AEEERN C=CCN(Cc1cnc(C)o1)C1CC1 628238265 347312660 /nfs/dbraw/zinc/31/26/60/347312660.db2.gz RMKBUVXGWDTAKR-UHFFFAOYSA-N 0 0 192.262 2.133 10 30 AEEERN C=CC(C)(C)CCNC(=O)C(C)C 628317637 347314440 /nfs/dbraw/zinc/31/44/40/347314440.db2.gz SPWUFCOBVJNHOU-UHFFFAOYSA-N 0 0 183.295 2.361 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@@H]1C[C@@H]1C 628318842 347314586 /nfs/dbraw/zinc/31/45/86/347314586.db2.gz WGYUBZOKRBDLEI-VHSXEESVSA-N 0 0 195.306 2.361 10 30 AEEERN C=CC(C)(C)CCNC(=O)C1CC1 628318455 347314778 /nfs/dbraw/zinc/31/47/78/347314778.db2.gz FTCBRSJNFMOBAE-UHFFFAOYSA-N 0 0 181.279 2.115 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@H]1C[C@@H]1C 628314332 347314851 /nfs/dbraw/zinc/31/48/51/347314851.db2.gz WGYUBZOKRBDLEI-UWVGGRQHSA-N 0 0 195.306 2.361 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1C 628314331 347314929 /nfs/dbraw/zinc/31/49/29/347314929.db2.gz WGYUBZOKRBDLEI-NXEZZACHSA-N 0 0 195.306 2.361 10 30 AEEERN C=CC(C)(C)CCNC(=O)[C@H]1C[C@H]1C 628318843 347314995 /nfs/dbraw/zinc/31/49/95/347314995.db2.gz WGYUBZOKRBDLEI-ZJUUUORDSA-N 0 0 195.306 2.361 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)C(C)C)C1 628485938 347319326 /nfs/dbraw/zinc/31/93/26/347319326.db2.gz XJHOJOMQHBRQAZ-SNVBAGLBSA-N 0 0 181.279 2.067 10 30 AEEERN C=CC[C@H]1CCN(C(=O)[C@H](C)CC)C1 628485674 347319336 /nfs/dbraw/zinc/31/93/36/347319336.db2.gz QSKZGRRUKWJOIB-MNOVXSKESA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)C2CCC2)C1 628482744 347319359 /nfs/dbraw/zinc/31/93/59/347319359.db2.gz XSAGYBLERPVEDJ-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C=CC[C@H]1CCN(C(=O)CC(C)C)C1 628482573 347319374 /nfs/dbraw/zinc/31/93/74/347319374.db2.gz RYEVXXXEALMAQA-NSHDSACASA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C)C1 628482787 347319413 /nfs/dbraw/zinc/31/94/13/347319413.db2.gz YPUOWHRJVSSBKO-MXWKQRLJSA-N 0 0 193.290 2.067 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)CCCF)C1 628494777 347319427 /nfs/dbraw/zinc/31/94/27/347319427.db2.gz YSAUOKFOUJSQPM-SNVBAGLBSA-N 0 0 199.269 2.161 10 30 AEEERN C=CC[C@H]1CCN(C(=O)C2CCC2)C1 628482743 347319432 /nfs/dbraw/zinc/31/94/32/347319432.db2.gz XSAGYBLERPVEDJ-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C=CC[C@H]1CCN(C(=O)C(C)C)C1 628485937 347319443 /nfs/dbraw/zinc/31/94/43/347319443.db2.gz XJHOJOMQHBRQAZ-JTQLQIEISA-N 0 0 181.279 2.067 10 30 AEEERN C=CC[C@H]1CCN(C(=O)CCC)C1 628482063 347319448 /nfs/dbraw/zinc/31/94/48/347319448.db2.gz CWTDZYAMJYQEAT-JTQLQIEISA-N 0 0 181.279 2.211 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)CCC)C1 628482064 347319453 /nfs/dbraw/zinc/31/94/53/347319453.db2.gz CWTDZYAMJYQEAT-SNVBAGLBSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCCC(=O)N1CC[C@@H](CC=C)C1 628487109 347319462 /nfs/dbraw/zinc/31/94/62/347319462.db2.gz XVJSNLOXJOLRNZ-LLVKDONJSA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@@H](C)CC)C1 628485676 347319511 /nfs/dbraw/zinc/31/95/11/347319511.db2.gz QSKZGRRUKWJOIB-WDEREUQCSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@H]1CCN(C(=O)CCCF)C1 628494776 347319518 /nfs/dbraw/zinc/31/95/18/347319518.db2.gz YSAUOKFOUJSQPM-JTQLQIEISA-N 0 0 199.269 2.161 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)CC(C)C)C1 628482572 347319564 /nfs/dbraw/zinc/31/95/64/347319564.db2.gz RYEVXXXEALMAQA-LLVKDONJSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C)C1 628482786 347319572 /nfs/dbraw/zinc/31/95/72/347319572.db2.gz YPUOWHRJVSSBKO-HBNTYKKESA-N 0 0 193.290 2.067 10 30 AEEERN C=CC[C@H]1CCN(C(=O)[C@@H](C)CC)C1 628485675 347319591 /nfs/dbraw/zinc/31/95/91/347319591.db2.gz QSKZGRRUKWJOIB-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 628491443 347319613 /nfs/dbraw/zinc/31/96/13/347319613.db2.gz YPUOWHRJVSSBKO-DCAQKATOSA-N 0 0 193.290 2.067 10 30 AEEERN C=CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 628491444 347319637 /nfs/dbraw/zinc/31/96/37/347319637.db2.gz YPUOWHRJVSSBKO-OUAUKWLOSA-N 0 0 193.290 2.067 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)CC2CC2)C1 628485683 347319639 /nfs/dbraw/zinc/31/96/39/347319639.db2.gz QXHNGUPSUGQGOG-LLVKDONJSA-N 0 0 193.290 2.211 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 628482784 347319659 /nfs/dbraw/zinc/31/96/59/347319659.db2.gz YPUOWHRJVSSBKO-AXFHLTTASA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCC(=O)N1CC[C@H](CC=C)C1 628487110 347319662 /nfs/dbraw/zinc/31/96/62/347319662.db2.gz XVJSNLOXJOLRNZ-NSHDSACASA-N 0 0 193.290 2.377 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)[C@H](C)CC)C1 628485673 347319672 /nfs/dbraw/zinc/31/96/72/347319672.db2.gz QSKZGRRUKWJOIB-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC[C@H]1CCN(C(=O)CC2CC2)C1 628485684 347319679 /nfs/dbraw/zinc/31/96/79/347319679.db2.gz QXHNGUPSUGQGOG-NSHDSACASA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[C@H]2C1 628514644 347321288 /nfs/dbraw/zinc/32/12/88/347321288.db2.gz VJHIVBKPZGZJFH-GARJFASQSA-N 0 0 193.290 2.067 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[C@H]2C1 628514646 347321330 /nfs/dbraw/zinc/32/13/30/347321330.db2.gz VJHIVBKPZGZJFH-MXWKQRLJSA-N 0 0 193.290 2.067 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1C[C@H]2C[C@H]2C1 628518546 347322066 /nfs/dbraw/zinc/32/20/66/347322066.db2.gz IAEHRUKEJNMBCO-AOOOYVTPSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCC(=O)NCC(F)(F)CC 628844606 347324572 /nfs/dbraw/zinc/32/45/72/347324572.db2.gz VNBJEVPFCZALIV-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN C=C(C)C(C)(C)C(=O)NC/C=C/C 629031469 347326078 /nfs/dbraw/zinc/32/60/78/347326078.db2.gz PDFXHXXFXASABM-VOTSOKGWSA-N 0 0 181.279 2.281 10 30 AEEERN C=C(C)C(C)(C)C(=O)NC/C=C\C 629031468 347326174 /nfs/dbraw/zinc/32/61/74/347326174.db2.gz PDFXHXXFXASABM-SREVYHEPSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCC1(C(=O)NC/C=C\C)CCC1 629032606 347326809 /nfs/dbraw/zinc/32/68/09/347326809.db2.gz FPKQFFMJTXDBDD-HYXAFXHYSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCC1(C(=O)NC/C=C/C)CCC1 629032604 347326905 /nfs/dbraw/zinc/32/69/05/347326905.db2.gz FPKQFFMJTXDBDD-HWKANZROSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NC/C=C/C 629034584 347328730 /nfs/dbraw/zinc/32/87/30/347328730.db2.gz LLXWMROQZOLXGE-BRAIEQGRSA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC/C=C/C 629034695 347328740 /nfs/dbraw/zinc/32/87/40/347328740.db2.gz MSTKKGMJLKBXBN-AYLMVEPYSA-N 0 0 181.279 2.281 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC/C=C/C 629034586 347328749 /nfs/dbraw/zinc/32/87/49/347328749.db2.gz LLXWMROQZOLXGE-PORFMDCZSA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@](C)(CC)C(=O)NC/C=C\C 629034698 347328797 /nfs/dbraw/zinc/32/87/97/347328797.db2.gz MSTKKGMJLKBXBN-UIJKISKDSA-N 0 0 181.279 2.281 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NC/C=C\C 629034585 347328847 /nfs/dbraw/zinc/32/88/47/347328847.db2.gz LLXWMROQZOLXGE-OMMCCPJFSA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@@](C)(CC)C(=O)NC/C=C\C 629034697 347328888 /nfs/dbraw/zinc/32/88/88/347328888.db2.gz MSTKKGMJLKBXBN-OFSNVTPPSA-N 0 0 181.279 2.281 10 30 AEEERN C=C[C@@](C)(CC)C(=O)NC/C=C/C 629034696 347328893 /nfs/dbraw/zinc/32/88/93/347328893.db2.gz MSTKKGMJLKBXBN-BWNDKRECSA-N 0 0 181.279 2.281 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NC/C=C\C 629034587 347328896 /nfs/dbraw/zinc/32/88/96/347328896.db2.gz LLXWMROQZOLXGE-WWQCOOJYSA-N 0 0 181.279 2.281 10 30 AEEERN C=CCC(CC=C)C(=O)NC/C=C/C 629039258 347332050 /nfs/dbraw/zinc/33/20/50/347332050.db2.gz NTVJGCNUZKYMJX-QPJJXVBHSA-N 0 0 193.290 2.447 10 30 AEEERN C=CCC(CC=C)C(=O)NC/C=C\C 629039257 347332109 /nfs/dbraw/zinc/33/21/09/347332109.db2.gz NTVJGCNUZKYMJX-DAXSKMNVSA-N 0 0 193.290 2.447 10 30 AEEERN C=CCCCCNc1cc(OC)n[nH]1 629210933 347338127 /nfs/dbraw/zinc/33/81/27/347338127.db2.gz YKTQFMNQZLRODV-UHFFFAOYSA-N 0 0 195.266 2.187 10 30 AEEERN C=CCCOc1ccc(C)nc1OC 629383050 347341246 /nfs/dbraw/zinc/34/12/46/347341246.db2.gz SOWDIAVNUBHLAD-UHFFFAOYSA-N 0 0 193.246 2.354 10 30 AEEERN C=C(C)COc1ccc(C)nc1OC 629381916 347341274 /nfs/dbraw/zinc/34/12/74/347341274.db2.gz ADNJRRVUNAVCFJ-UHFFFAOYSA-N 0 0 193.246 2.354 10 30 AEEERN C=C(C)c1cnc2c(c1)nc(C)n2C 629730059 347357636 /nfs/dbraw/zinc/35/76/36/347357636.db2.gz POKFKTZUSMGWAG-UHFFFAOYSA-N 0 0 187.246 2.310 10 30 AEEERN C=C1CC(C)(C(=O)N[C@H](C)CC)C1 630388950 347362243 /nfs/dbraw/zinc/36/22/43/347362243.db2.gz MFRMZQDGRVPUOJ-SECBINFHSA-N 0 0 181.279 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N2CCCCC2)C1 630389344 347362429 /nfs/dbraw/zinc/36/24/29/347362429.db2.gz UEYOSGIBCBNXRB-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H](C)CC)C1 630388951 347362441 /nfs/dbraw/zinc/36/24/41/347362441.db2.gz MFRMZQDGRVPUOJ-VIFPVBQESA-N 0 0 181.279 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N(CC)CC)C1 630399306 347362895 /nfs/dbraw/zinc/36/28/95/347362895.db2.gz FMJIJEKBFKKLDH-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCNC(=O)NCCC(C)(C)CC 630401601 347363519 /nfs/dbraw/zinc/36/35/19/347363519.db2.gz BCAXDUDMPPSCKU-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN C=C1CC(C)(C(=O)NCCCC)C1 630401753 347363690 /nfs/dbraw/zinc/36/36/90/347363690.db2.gz IZCVFDJXTPLLBW-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCCC(C)(C)CNC(=O)NCC 630401621 347363714 /nfs/dbraw/zinc/36/37/14/347363714.db2.gz BVFHBJYYAJXZOZ-UHFFFAOYSA-N 0 0 198.310 2.298 10 30 AEEERN C=CCNC(=O)N[C@@H](C)CC1CCC1 630407310 347364088 /nfs/dbraw/zinc/36/40/88/347364088.db2.gz FUVRCMKTVVKHBZ-VIFPVBQESA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNC(=O)N[C@H](C)CC1CCC1 630407308 347364278 /nfs/dbraw/zinc/36/42/78/347364278.db2.gz FUVRCMKTVVKHBZ-SECBINFHSA-N 0 0 196.294 2.050 10 30 AEEERN C=C1CC(C)(C(=O)NCC(C)C)C1 630412188 347364827 /nfs/dbraw/zinc/36/48/27/347364827.db2.gz ZRIUOKGEHQGNKY-UHFFFAOYSA-N 0 0 181.279 2.115 10 30 AEEERN C=C1CC(C)(C(=O)NC2CCCC2)C1 630413581 347365451 /nfs/dbraw/zinc/36/54/51/347365451.db2.gz MKNDZFXQKRCFJN-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN C=CCCC(C)(C)CNC(C)=O 630440574 347366083 /nfs/dbraw/zinc/36/60/83/347366083.db2.gz OEEXQZSWLJVKEF-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=C1CC(C)(C(=O)N[C@H](C)C2CC2)C1 630538118 347366909 /nfs/dbraw/zinc/36/69/09/347366909.db2.gz WHRWJLOTXHNKPJ-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H](C)C2CC2)C1 630538125 347367155 /nfs/dbraw/zinc/36/71/55/347367155.db2.gz WHRWJLOTXHNKPJ-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN C=CCn1cc(C(C)(C)CC)nn1 630588270 347368038 /nfs/dbraw/zinc/36/80/38/347368038.db2.gz FSHZFMQTARDCAV-UHFFFAOYSA-N 0 0 179.267 2.152 10 30 AEEERN C=C1CC(C)(C(=O)N(C)CC(C)C)C1 630707723 347370528 /nfs/dbraw/zinc/37/05/28/347370528.db2.gz GYUPAXZRLWNLNO-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=C1CC(C)(C(=O)N(C)C(C)C)C1 630690562 347370544 /nfs/dbraw/zinc/37/05/44/347370544.db2.gz DBOSVRHPTFGSNJ-UHFFFAOYSA-N 0 0 181.279 2.210 10 30 AEEERN C=C1CC(C)(C(=O)NCC2CCC2)C1 630723684 347371213 /nfs/dbraw/zinc/37/12/13/347371213.db2.gz NTLJHYJEBWJULX-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=C1CC(C)(C(=O)NC[C@@H]2C[C@H]2C)C1 630740458 347371421 /nfs/dbraw/zinc/37/14/21/347371421.db2.gz VTBJAFQKGZGMAO-ZJUUUORDSA-N 0 0 193.290 2.115 10 30 AEEERN C=C1CC(C)(C(=O)NC[C@H]2C[C@H]2C)C1 630740454 347371488 /nfs/dbraw/zinc/37/14/88/347371488.db2.gz VTBJAFQKGZGMAO-NXEZZACHSA-N 0 0 193.290 2.115 10 30 AEEERN C=C1CC(C)(C(=O)NC[C@@H]2C[C@@H]2C)C1 630740455 347371677 /nfs/dbraw/zinc/37/16/77/347371677.db2.gz VTBJAFQKGZGMAO-UWVGGRQHSA-N 0 0 193.290 2.115 10 30 AEEERN C=C1CC(C)(C(=O)NC[C@H]2C[C@@H]2C)C1 630740457 347371710 /nfs/dbraw/zinc/37/17/10/347371710.db2.gz VTBJAFQKGZGMAO-VHSXEESVSA-N 0 0 193.290 2.115 10 30 AEEERN C=C1CC(C)(C(=O)N(C)CC2CC2)C1 630777464 347371746 /nfs/dbraw/zinc/37/17/46/347371746.db2.gz XEKUOLMQYOHPOW-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CC(C)(C(=O)N2CC[C@H](C)C2)C1 630883412 347372082 /nfs/dbraw/zinc/37/20/82/347372082.db2.gz YJCAAVYBKUMWIK-VIFPVBQESA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CC(C)(C(=O)N2CC[C@@H](C)C2)C1 630883411 347372292 /nfs/dbraw/zinc/37/22/92/347372292.db2.gz YJCAAVYBKUMWIK-SECBINFHSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CC(C)(C(=O)N(C)CCC)C1 630851383 347372553 /nfs/dbraw/zinc/37/25/53/347372553.db2.gz DQDAEBGZXITJFL-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(CC)Cn1cc(C)nc1C 631013073 347374351 /nfs/dbraw/zinc/37/43/51/347374351.db2.gz BQIPHAAJVPBCKI-UHFFFAOYSA-N 0 0 164.252 2.466 10 30 AEEERN C=C(C)CCn1cc(C)nc1C 631014446 347374829 /nfs/dbraw/zinc/37/48/29/347374829.db2.gz SLKWIPSDYHBJAD-UHFFFAOYSA-N 0 0 164.252 2.466 10 30 AEEERN CCOc1c(C#N)cccc1C(C)=O 631027657 347375687 /nfs/dbraw/zinc/37/56/87/347375687.db2.gz CXXNWOQWVPNDDM-UHFFFAOYSA-N 0 0 189.214 2.160 10 30 AEEERN C=C1CC(C)(C(=O)NC2CCC2)C1 631138223 347376376 /nfs/dbraw/zinc/37/63/76/347376376.db2.gz UEKXKCIOZFYEHC-UHFFFAOYSA-N 0 0 179.263 2.011 10 30 AEEERN C=CC[C@@H](C)NC(=O)C1(C)CC(=C)C1 631343884 347381475 /nfs/dbraw/zinc/38/14/75/347381475.db2.gz JSJPZMGIQCTGCR-SNVBAGLBSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC[C@H](C)NC(=O)C1(C)CC(=C)C1 631343883 347381795 /nfs/dbraw/zinc/38/17/95/347381795.db2.gz JSJPZMGIQCTGCR-JTQLQIEISA-N 0 0 193.290 2.424 10 30 AEEERN C=CCCC(C)(C)CNC(=O)N(C)C 631484960 347382825 /nfs/dbraw/zinc/38/28/25/347382825.db2.gz VMYXLWBPWWKFTJ-UHFFFAOYSA-N 0 0 198.310 2.250 10 30 AEEERN C=C1CC(C)(C(=O)N(C)C2CCC2)C1 631527917 347382866 /nfs/dbraw/zinc/38/28/66/347382866.db2.gz QGHOGSQRPJKCCL-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=C1CC(C)(C(=O)N2CCC[C@H]2C)C1 631559084 347383025 /nfs/dbraw/zinc/38/30/25/347383025.db2.gz DPCFJNVVPACCBQ-SNVBAGLBSA-N 0 0 193.290 2.354 10 30 AEEERN C=C1CC(C)(C(=O)N2CCC[C@@H]2C)C1 631559083 347383098 /nfs/dbraw/zinc/38/30/98/347383098.db2.gz DPCFJNVVPACCBQ-JTQLQIEISA-N 0 0 193.290 2.354 10 30 AEEERN C=C1CC(C)(C(=O)NCCC2CC2)C1 631540362 347383175 /nfs/dbraw/zinc/38/31/75/347383175.db2.gz BXCAPBCCRBOFRX-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=C1CC(C)(C(=O)NC2CC(C)C2)C1 631607209 347383637 /nfs/dbraw/zinc/38/36/37/347383637.db2.gz JBXWOSJRAFNQIE-UHFFFAOYSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)NCC2(C)CC2)C1 631612780 347383746 /nfs/dbraw/zinc/38/37/46/347383746.db2.gz FBHQWRTWGONOHY-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=C[C@@H](C)NC(=O)C1(C)CC(=C)C1 631756500 347386863 /nfs/dbraw/zinc/38/68/63/347386863.db2.gz QRMRPYQXGDKQKT-SECBINFHSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@H](C)NC(=O)C1(C)CC(=C)C1 631756571 347386969 /nfs/dbraw/zinc/38/69/69/347386969.db2.gz QRMRPYQXGDKQKT-VIFPVBQESA-N 0 0 179.263 2.033 10 30 AEEERN C=C1CC(C)(C(=O)NC2CC=CC2)C1 631794364 347387937 /nfs/dbraw/zinc/38/79/37/347387937.db2.gz VWEWHRRLNVSUGF-UHFFFAOYSA-N 0 0 191.274 2.178 10 30 AEEERN C=C1CC(C)(C(=O)N2CC=CCC2)C1 632333394 347395871 /nfs/dbraw/zinc/39/58/71/347395871.db2.gz UDWVRZOVLHUYOT-UHFFFAOYSA-N 0 0 191.274 2.131 10 30 AEEERN C=C(C)CN(C)C(=O)C1(C)CC(=C)C1 632324179 347396001 /nfs/dbraw/zinc/39/60/01/347396001.db2.gz RCVNBSNIOFCQRX-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=C1CC(C)(C(=O)NCC=C(C)C)C1 632738956 347398517 /nfs/dbraw/zinc/39/85/17/347398517.db2.gz KJSZFFOJAKGAGL-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)CNC(=O)C1(C)CC(=C)C1 632572203 347397022 /nfs/dbraw/zinc/39/70/22/347397022.db2.gz OXMGTQYXIKUTKS-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCN(C)C(=O)C1(C)CC(=C)C1 632703233 347397760 /nfs/dbraw/zinc/39/77/60/347397760.db2.gz UPCCFSISJYZGRQ-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=C1CC(C)(C(=O)N2[C@@H](C)C[C@@H]2C)C1 632803456 347398303 /nfs/dbraw/zinc/39/83/03/347398303.db2.gz DXHKZWZLGGSSLO-UWVGGRQHSA-N 0 0 193.290 2.352 10 30 AEEERN C=C1CC(C)(C(=O)N2[C@@H](C)C[C@H]2C)C1 632803454 347398366 /nfs/dbraw/zinc/39/83/66/347398366.db2.gz DXHKZWZLGGSSLO-AOOOYVTPSA-N 0 0 193.290 2.352 10 30 AEEERN C=CCCCNC(=O)C1(C)CC(=C)C1 632798572 347398410 /nfs/dbraw/zinc/39/84/10/347398410.db2.gz YJMQHRUBZBKGKH-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C1CC(C)(C(=O)N2[C@H](C)C[C@H]2C)C1 632803455 347398504 /nfs/dbraw/zinc/39/85/04/347398504.db2.gz DXHKZWZLGGSSLO-NXEZZACHSA-N 0 0 193.290 2.352 10 30 AEEERN C=C1CC(C)(C(=O)N2CC(C)(C)C2)C1 632797415 347398508 /nfs/dbraw/zinc/39/85/08/347398508.db2.gz QCPPQHIBZYTSSK-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]2CC)C1 632861274 347399099 /nfs/dbraw/zinc/39/90/99/347399099.db2.gz ZYAQORKBFSEGRZ-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)NCCCCF)C1 633153791 347400015 /nfs/dbraw/zinc/40/00/15/347400015.db2.gz WEKNZFFOGRAFJM-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H]2C)C1 633056750 347400102 /nfs/dbraw/zinc/40/01/02/347400102.db2.gz RLHWMMNDSIWZBK-UWVGGRQHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H]2C)C1 633056751 347400198 /nfs/dbraw/zinc/40/01/98/347400198.db2.gz RLHWMMNDSIWZBK-VHSXEESVSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H]2C)C1 633056749 347400319 /nfs/dbraw/zinc/40/03/19/347400319.db2.gz RLHWMMNDSIWZBK-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N2CC[C@H]2CC)C1 633199987 347400331 /nfs/dbraw/zinc/40/03/31/347400331.db2.gz BWEVKPUZKDIHKD-SNVBAGLBSA-N 0 0 193.290 2.354 10 30 AEEERN C=C1CC(C)(C(=O)N2CC[C@@H]2CC)C1 633199986 347400364 /nfs/dbraw/zinc/40/03/64/347400364.db2.gz BWEVKPUZKDIHKD-JTQLQIEISA-N 0 0 193.290 2.354 10 30 AEEERN C=C1CC(C)(C(=O)N[C@H]2CC[C@H]2C)C1 633056752 347400501 /nfs/dbraw/zinc/40/05/01/347400501.db2.gz RLHWMMNDSIWZBK-ZJUUUORDSA-N 0 0 193.290 2.257 10 30 AEEERN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]2C)C1 633208337 347400747 /nfs/dbraw/zinc/40/07/47/347400747.db2.gz LBNDGEOLIBFIDQ-NXEZZACHSA-N 0 0 193.290 2.210 10 30 AEEERN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H]2C)C1 633208344 347400806 /nfs/dbraw/zinc/40/08/06/347400806.db2.gz LBNDGEOLIBFIDQ-ZJUUUORDSA-N 0 0 193.290 2.210 10 30 AEEERN C=C1CC(C)(C(=O)N2C[C@H](C)[C@@H]2C)C1 633208339 347400835 /nfs/dbraw/zinc/40/08/35/347400835.db2.gz LBNDGEOLIBFIDQ-UWVGGRQHSA-N 0 0 193.290 2.210 10 30 AEEERN C=C1CC(C)(C(=O)NCC[C@H](C)F)C1 633209356 347400885 /nfs/dbraw/zinc/40/08/85/347400885.db2.gz XLAQZOKIHCWKDC-VIFPVBQESA-N 0 0 199.269 2.207 10 30 AEEERN C=C1CC(C)(C(=O)N2C[C@H](C)[C@H]2C)C1 633208341 347400934 /nfs/dbraw/zinc/40/09/34/347400934.db2.gz LBNDGEOLIBFIDQ-VHSXEESVSA-N 0 0 193.290 2.210 10 30 AEEERN C=C1CC(C)(C(=O)NCC[C@@H](C)F)C1 633209353 347400980 /nfs/dbraw/zinc/40/09/80/347400980.db2.gz XLAQZOKIHCWKDC-SECBINFHSA-N 0 0 199.269 2.207 10 30 AEEERN C=C1CC(C)(C(=O)NC/C=C/CC)C1 633288658 347401564 /nfs/dbraw/zinc/40/15/64/347401564.db2.gz ONXZTTOLSFPHJW-AATRIKPKSA-N 0 0 193.290 2.425 10 30 AEEERN C=C1CC(C)(C(=O)NC/C=C\CC)C1 633288659 347401569 /nfs/dbraw/zinc/40/15/69/347401569.db2.gz ONXZTTOLSFPHJW-WAYWQWQTSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(CC)CNC(=O)C1(C)CC(=C)C1 633357989 347402062 /nfs/dbraw/zinc/40/20/62/347402062.db2.gz CEYZZVYFUCEJLI-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCNC(=O)C1(C)CC(=C)C1 633612666 347402127 /nfs/dbraw/zinc/40/21/27/347402127.db2.gz RDLBOYFZLHKYDF-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C=C1CC(C)(C(=O)N[C@H]2CC23CC3)C1 633485357 347402142 /nfs/dbraw/zinc/40/21/42/347402142.db2.gz UERVHPGLLKAQOB-VIFPVBQESA-N 0 0 191.274 2.011 10 30 AEEERN C=C1CC(C)(C(=O)N[C@@H]2CC23CC3)C1 633485356 347402260 /nfs/dbraw/zinc/40/22/60/347402260.db2.gz UERVHPGLLKAQOB-SECBINFHSA-N 0 0 191.274 2.011 10 30 AEEERN C=C(C)CCNC(=O)C1(C)CC(=C)C1 633307659 347402488 /nfs/dbraw/zinc/40/24/88/347402488.db2.gz TUNSSPBSLVDEKA-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C1CC(C)(C(=O)NC/C=C\C)C1 633690239 347402852 /nfs/dbraw/zinc/40/28/52/347402852.db2.gz GFZRFNPKSKKFPT-PLNGDYQASA-N 0 0 179.263 2.035 10 30 AEEERN C=C1CC(C)(C(=O)NC/C=C/C)C1 633690240 347402964 /nfs/dbraw/zinc/40/29/64/347402964.db2.gz GFZRFNPKSKKFPT-SNAWJCMRSA-N 0 0 179.263 2.035 10 30 AEEERN C=CC(C)(C)C(=O)NCC(C)(C)F 633719792 347403555 /nfs/dbraw/zinc/40/35/55/347403555.db2.gz HFPNMPHTFNGIBK-UHFFFAOYSA-N 0 0 187.258 2.063 10 30 AEEERN C=C1CC(C)(C(=O)NCC(C)(C)F)C1 633719913 347403480 /nfs/dbraw/zinc/40/34/80/347403480.db2.gz VOQPTYWDQFLIDN-UHFFFAOYSA-N 0 0 199.269 2.207 10 30 AEEERN CC#CCCCC(=O)NCC(C)(C)F 633720620 347403730 /nfs/dbraw/zinc/40/37/30/347403730.db2.gz SNGPNXYKIKLOLP-UHFFFAOYSA-N 0 0 199.269 2.044 10 30 AEEERN C=CCCC(=O)N[C@H]1CCCC12CC2 633770371 347404674 /nfs/dbraw/zinc/40/46/74/347404674.db2.gz RLHZSWHWIFWZHW-JTQLQIEISA-N 0 0 193.290 2.402 10 30 AEEERN C=CCCC(=O)N[C@@H]1CCCC12CC2 633770372 347404684 /nfs/dbraw/zinc/40/46/84/347404684.db2.gz RLHZSWHWIFWZHW-SNVBAGLBSA-N 0 0 193.290 2.402 10 30 AEEERN C=CCCC(=O)N[C@@]12CCCC[C@@H]1C2 634081789 347407445 /nfs/dbraw/zinc/40/74/45/347407445.db2.gz VFBSQJNKQMQWJY-ZYHUDNBSSA-N 0 0 193.290 2.402 10 30 AEEERN C=CCCC(=O)N[C@]12CCCC[C@H]1C2 634081787 347407618 /nfs/dbraw/zinc/40/76/18/347407618.db2.gz VFBSQJNKQMQWJY-JQWIXIFHSA-N 0 0 193.290 2.402 10 30 AEEERN C=C(C)CN1N=C(C)[C@H](CCC)C1=O 634603482 347419352 /nfs/dbraw/zinc/41/93/52/347419352.db2.gz AQIGMJKUETZICF-JTQLQIEISA-N 0 0 194.278 2.197 10 30 AEEERN C=C(C)CN1N=C(C(C)C)CCC1=O 634603801 347419602 /nfs/dbraw/zinc/41/96/02/347419602.db2.gz KSMLXOOTXBASPK-UHFFFAOYSA-N 0 0 194.278 2.197 10 30 AEEERN C=C(C)CN1N=C(C)[C@@H](CCC)C1=O 634603483 347419789 /nfs/dbraw/zinc/41/97/89/347419789.db2.gz AQIGMJKUETZICF-SNVBAGLBSA-N 0 0 194.278 2.197 10 30 AEEERN C=C(C)Cn1nc(C)c2c1CCC2 634603966 347419814 /nfs/dbraw/zinc/41/98/14/347419814.db2.gz QCRHMWWCEGBRLG-UHFFFAOYSA-N 0 0 176.263 2.256 10 30 AEEERN C=CCNC(=O)CC(C)=C(C)C 635068425 347438034 /nfs/dbraw/zinc/43/80/34/347438034.db2.gz GDDVBDNRKXCXFI-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=C[C@H](C)NC(=O)CC(C)=C(C)C 635673402 347445938 /nfs/dbraw/zinc/44/59/38/347445938.db2.gz HEVNNCRBMSHPLH-JTQLQIEISA-N 0 0 181.279 2.424 10 30 AEEERN C=C[C@@H](C)NC(=O)CC(C)=C(C)C 635673403 347446319 /nfs/dbraw/zinc/44/63/19/347446319.db2.gz HEVNNCRBMSHPLH-SNVBAGLBSA-N 0 0 181.279 2.424 10 30 AEEERN CC#CCCNC(=O)CC(C)=C(C)C 635779047 347448192 /nfs/dbraw/zinc/44/81/92/347448192.db2.gz OLJFVVIFNCPLEF-UHFFFAOYSA-N 0 0 193.290 2.262 10 30 AEEERN C=CCN(C)C(=O)CC(C)=C(C)C 635818643 347448951 /nfs/dbraw/zinc/44/89/51/347448951.db2.gz ICQSNCYPZJNLJW-UHFFFAOYSA-N 0 0 181.279 2.377 10 30 AEEERN C=C(C)CNC(=O)CC(C)=C(C)C 635820253 347449048 /nfs/dbraw/zinc/44/90/48/347449048.db2.gz MUIYYMKHNALATO-UHFFFAOYSA-N 0 0 181.279 2.425 10 30 AEEERN CC#CCN(C)C(=O)CC(C)=C(C)C 635971462 347452317 /nfs/dbraw/zinc/45/23/17/347452317.db2.gz XAQHANZETKYHIF-UHFFFAOYSA-N 0 0 193.290 2.215 10 30 AEEERN C=CCCNC(=O)CC(C)=C(C)C 636171191 347454591 /nfs/dbraw/zinc/45/45/91/347454591.db2.gz YTQUIZPIISJNKX-UHFFFAOYSA-N 0 0 181.279 2.425 10 30 AEEERN C=CCCC(=O)N1OC2CCC1CC2 636407591 347456822 /nfs/dbraw/zinc/45/68/22/347456822.db2.gz MFSRMINNRRFZNL-UHFFFAOYSA-N 0 0 195.262 2.038 10 30 AEEERN C=CC(C)(C)CCNC(=O)C1=CCC1 637445009 347459732 /nfs/dbraw/zinc/45/97/32/347459732.db2.gz ARDVOLDAUIRRKB-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)CN(CC)C(=O)NC/C=C/C 637485955 347460233 /nfs/dbraw/zinc/46/02/33/347460233.db2.gz GCVBLXSDVAHBLM-FNORWQNLSA-N 0 0 196.294 2.170 10 30 AEEERN C=C(C)CN(CC)C(=O)NC/C=C\C 637485951 347460550 /nfs/dbraw/zinc/46/05/50/347460550.db2.gz GCVBLXSDVAHBLM-ALCCZGGFSA-N 0 0 196.294 2.170 10 30 AEEERN C=CC[C@H]1CCN(C(=O)C2=CCC2)C1 637497717 347461076 /nfs/dbraw/zinc/46/10/76/347461076.db2.gz BICQHPLIGJXRPJ-JTQLQIEISA-N 0 0 191.274 2.131 10 30 AEEERN C=CC[C@@H]1CCN(C(=O)C2=CCC2)C1 637497718 347461089 /nfs/dbraw/zinc/46/10/89/347461089.db2.gz BICQHPLIGJXRPJ-SNVBAGLBSA-N 0 0 191.274 2.131 10 30 AEEERN C=CCCCn1nc(C)c(N)c1C 637795453 347462090 /nfs/dbraw/zinc/46/20/90/347462090.db2.gz AFIBHLSTMCOPKL-UHFFFAOYSA-N 0 0 179.267 2.048 10 30 AEEERN C=CCN(CC=C)Cc1ccns1 637831879 347465162 /nfs/dbraw/zinc/46/51/62/347465162.db2.gz CBRIHEUCPMMCNO-UHFFFAOYSA-N 0 0 194.303 2.317 10 30 AEEERN C=C(C)CN(C)Cc1cc(C)ns1 638911118 347495521 /nfs/dbraw/zinc/49/55/21/347495521.db2.gz YSLZAEFVYZCIIM-UHFFFAOYSA-N 0 0 196.319 2.459 10 30 AEEERN C=C(C)CN(C)Cc1ccns1 638909951 347495695 /nfs/dbraw/zinc/49/56/95/347495695.db2.gz LMAWJPVQRXDOML-UHFFFAOYSA-N 0 0 182.292 2.151 10 30 AEEERN C=CCN(C)Cc1cc(C)ns1 639064300 347500598 /nfs/dbraw/zinc/50/05/98/347500598.db2.gz DHISSQNFSOAYKA-UHFFFAOYSA-N 0 0 182.292 2.069 10 30 AEEERN C=CCC[N@@H+](C)Cc1ccns1 639092450 347501523 /nfs/dbraw/zinc/50/15/23/347501523.db2.gz ZMNFIILEWNUYST-UHFFFAOYSA-N 0 0 182.292 2.151 10 30 AEEERN C=CCOCCN(C)c1ccsc1 639735688 347533775 /nfs/dbraw/zinc/53/37/75/347533775.db2.gz DEOCZQBWFGYAOY-UHFFFAOYSA-N 0 0 197.303 2.387 10 30 AEEERN CC#CCN(CC)[C@@H](C)C(F)(F)F 640052611 347544775 /nfs/dbraw/zinc/54/47/75/347544775.db2.gz CETBYLFXGYGORB-QMMMGPOBSA-N 0 0 193.212 2.282 10 30 AEEERN CC#CCN(CC)[C@H](C)C(F)(F)F 640052610 347544901 /nfs/dbraw/zinc/54/49/01/347544901.db2.gz CETBYLFXGYGORB-MRVPVSSYSA-N 0 0 193.212 2.282 10 30 AEEERN C=C(C)CCN1CCCCCO1 640122476 347546150 /nfs/dbraw/zinc/54/61/50/347546150.db2.gz MJYDRPRFDVBBOW-UHFFFAOYSA-N 0 0 169.268 2.370 10 30 AEEERN C=C(CC)CN1CCCCCO1 640122727 347546365 /nfs/dbraw/zinc/54/63/65/347546365.db2.gz PACCAIAXEWGSQO-UHFFFAOYSA-N 0 0 169.268 2.370 10 30 AEEERN C=CCCCN1CCCCCO1 640123584 347546403 /nfs/dbraw/zinc/54/64/03/347546403.db2.gz UZQGJIRZOJLZBI-UHFFFAOYSA-N 0 0 169.268 2.370 10 30 AEEERN C=C(C)CCN(C)c1cc(C)[nH]n1 640191099 347547578 /nfs/dbraw/zinc/54/75/78/347547578.db2.gz CJLNZFHNMGRUBS-UHFFFAOYSA-N 0 0 179.267 2.121 10 30 AEEERN C=C(CC)CN(C)c1cc(C)[nH]n1 640191130 347547646 /nfs/dbraw/zinc/54/76/46/347547646.db2.gz DLUXYARDOZVLPI-UHFFFAOYSA-N 0 0 179.267 2.121 10 30 AEEERN C=C(C)CN1OC2CCC1CC2 640245669 347550295 /nfs/dbraw/zinc/55/02/95/347550295.db2.gz UIAKIGLVJYFOPL-UHFFFAOYSA-N 0 0 167.252 2.121 10 30 AEEERN C=CCC(C)(C)C(=O)N1CC[C@H]1C 641242250 347564801 /nfs/dbraw/zinc/56/48/01/347564801.db2.gz FULMUKHQIPRPBZ-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCC(C)(C)C(=O)N1CC[C@@H]1C 641242252 347564951 /nfs/dbraw/zinc/56/49/51/347564951.db2.gz FULMUKHQIPRPBZ-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H]1C 641245309 347567367 /nfs/dbraw/zinc/56/73/67/347567367.db2.gz VYUJQEAVPVMYCZ-VHSXEESVSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1C 641245307 347567396 /nfs/dbraw/zinc/56/73/96/347567396.db2.gz VYUJQEAVPVMYCZ-NXEZZACHSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]1C 641245310 347567400 /nfs/dbraw/zinc/56/74/00/347567400.db2.gz VYUJQEAVPVMYCZ-ZJUUUORDSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]1C 641245308 347567523 /nfs/dbraw/zinc/56/75/23/347567523.db2.gz VYUJQEAVPVMYCZ-UWVGGRQHSA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)CN(C)c1ccncc1F 641482516 347573923 /nfs/dbraw/zinc/57/39/23/347573923.db2.gz AAIYNEIJMSYWJS-UHFFFAOYSA-N 0 0 180.226 2.233 10 30 AEEERN C=CCCCN(C)c1ncncc1C 641383655 347570578 /nfs/dbraw/zinc/57/05/78/347570578.db2.gz BUIXIOPVSZSLRY-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=CCSc1ccc(C)nn1 641453305 347573166 /nfs/dbraw/zinc/57/31/66/347573166.db2.gz HQBXIPXUIRLJEZ-UHFFFAOYSA-N 0 0 166.249 2.063 10 30 AEEERN CC#CCCSc1nnc(CC)o1 641560850 347576278 /nfs/dbraw/zinc/57/62/78/347576278.db2.gz HBXNEHTVBBVHHZ-UHFFFAOYSA-N 0 0 196.275 2.138 10 30 AEEERN C=C1CN(c2nc(C(C)C)ns2)C1 641658039 347578079 /nfs/dbraw/zinc/57/80/79/347578079.db2.gz BVVDDKUGGOILAH-UHFFFAOYSA-N 0 0 195.291 2.038 10 30 AEEERN C=C(C)CCn1ccc(OCC)n1 641729553 347582117 /nfs/dbraw/zinc/58/21/17/347582117.db2.gz GTLQYCFGDSLORR-UHFFFAOYSA-N 0 0 180.251 2.248 10 30 AEEERN C=CCCCOc1ccc(OC)nc1 641731962 347582842 /nfs/dbraw/zinc/58/28/42/347582842.db2.gz CAAPIWISJTTXRT-UHFFFAOYSA-N 0 0 193.246 2.435 10 30 AEEERN C=C(C)CCOc1ccc(OC)nc1 641733547 347582852 /nfs/dbraw/zinc/58/28/52/347582852.db2.gz RUJRWOBOEUDZGR-UHFFFAOYSA-N 0 0 193.246 2.435 10 30 AEEERN C=CCNC(=O)NCCC1CCCC1 641984859 347588276 /nfs/dbraw/zinc/58/82/76/347588276.db2.gz RXSRPRGXCYKUTL-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=C(C)CN(CC)CC(F)(F)F 642103068 347589534 /nfs/dbraw/zinc/58/95/34/347589534.db2.gz FQWZCMHOQCEMBU-UHFFFAOYSA-N 0 0 181.201 2.447 10 30 AEEERN C=CCCCCn1cccn1 642203410 347590836 /nfs/dbraw/zinc/59/08/36/347590836.db2.gz DITMCMRRNOFBDE-UHFFFAOYSA-N 0 0 150.225 2.239 10 30 AEEERN C=CCCCCOc1cc(C)n(C)n1 642208167 347590834 /nfs/dbraw/zinc/59/08/34/347590834.db2.gz BHBZACPBVLCSES-UHFFFAOYSA-N 0 0 194.278 2.464 10 30 AEEERN C=CCCCCOc1cnn(C)c1 642238588 347591475 /nfs/dbraw/zinc/59/14/75/347591475.db2.gz BUNPWGNEYYXTQA-UHFFFAOYSA-N 0 0 180.251 2.155 10 30 AEEERN C=CCCOc1cnc(SC)nc1 642297036 347592585 /nfs/dbraw/zinc/59/25/85/347592585.db2.gz HYHHPQSYYMBGOW-UHFFFAOYSA-N 0 0 196.275 2.153 10 30 AEEERN C=C(C)CCOc1c(C)c(C)nn1C 642290968 347592756 /nfs/dbraw/zinc/59/27/56/347592756.db2.gz XTTMZAHRUYXHHY-UHFFFAOYSA-N 0 0 194.278 2.382 10 30 AEEERN C=C(CC)COc1c(C)c(C)nn1C 642290900 347592849 /nfs/dbraw/zinc/59/28/49/347592849.db2.gz ASGSVEJYXSDGHU-UHFFFAOYSA-N 0 0 194.278 2.382 10 30 AEEERN C=C(C)CCn1cnc(C2CC2)n1 642332468 347593512 /nfs/dbraw/zinc/59/35/12/347593512.db2.gz ZUAHWZDAYDSNAV-UHFFFAOYSA-N 0 0 177.251 2.122 10 30 AEEERN C=CCCCCCOn1cccn1 642365261 347593866 /nfs/dbraw/zinc/59/38/66/347593866.db2.gz DBWSGSPAGISTKZ-UHFFFAOYSA-N 0 0 180.251 2.058 10 30 AEEERN C=CCOc1cccc2c1OCC2 642446601 347595548 /nfs/dbraw/zinc/59/55/48/347595548.db2.gz AMHIOPNGAOQOQI-UHFFFAOYSA-N 0 0 176.215 2.186 10 30 AEEERN CCOc1snc(Cl)c1C#N 1030300 351283384 /nfs/dbraw/zinc/28/33/84/351283384.db2.gz YFOXCYOVVUTTLJ-UHFFFAOYSA-N 0 0 188.639 2.067 10 30 AEEERN S[C@@H]1Nc2ccccc2S1 1433264 351285593 /nfs/dbraw/zinc/28/55/93/351285593.db2.gz PYVUUPVBIDIYPY-ZETCQYMHSA-N 0 0 169.274 2.418 10 30 in-vivo AEEERN CC[C@@H](C)CCC=O 2006812 351301038 /nfs/dbraw/zinc/30/10/38/351301038.db2.gz GIGNTOMJQYNUNL-SSDOTTSWSA-N 0 0 114.188 2.012 10 30 AEEERN CC[C@@H](C)/C=C/C(C)=O 2528326 351309554 /nfs/dbraw/zinc/30/95/54/351309554.db2.gz QDUQNQQMHZNNTG-WEWAHIQMSA-N 0 0 126.199 2.178 10 30 AEEERN CCOc1c(C#N)ccc(F)c1F 2541342 351309996 /nfs/dbraw/zinc/30/99/96/351309996.db2.gz KVGNSEVYKZABMD-UHFFFAOYSA-N 0 0 183.157 2.235 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccccc1 4529242 351329898 /nfs/dbraw/zinc/32/98/98/351329898.db2.gz YVCOJTATJWDGEU-CBAPKCEASA-N 0 0 134.178 2.146 10 30 AEEERN CC/C(=N/N(C)C)c1ccccc1 5124601 351339118 /nfs/dbraw/zinc/33/91/18/351339118.db2.gz QVKVWRRGXRXZMZ-QXMHVHEDSA-N 0 0 176.263 2.362 10 30 AEEERN CC[C@@H](C#N)Nc1ccccc1 13347014 351368404 /nfs/dbraw/zinc/36/84/04/351368404.db2.gz OBRXLYKHTVYVEE-VIFPVBQESA-N 0 0 160.220 2.401 10 30 AEEERN CCOc1ccc(/C(C)=N/O)cc1 13989083 351372778 /nfs/dbraw/zinc/37/27/78/351372778.db2.gz UQVIBULMZQEKJP-DHZHZOJOSA-N 0 0 179.219 2.284 10 30 AEEERN CC(C)=CCC[C@]1(C)O[C@@H]1C=O 15159499 351377844 /nfs/dbraw/zinc/37/78/44/351377844.db2.gz KXDDDNKGVUBFQS-ZJUUUORDSA-N 0 0 168.236 2.089 10 30 in-vitro AEEERN CC(C)=CCC[C@@]1(C)O[C@@H]1C=O 15159498 351377971 /nfs/dbraw/zinc/37/79/71/351377971.db2.gz KXDDDNKGVUBFQS-NXEZZACHSA-N 0 0 168.236 2.089 10 30 in-vitro AEEERN CC(C)=CCC[C@@]1(C)O[C@H]1C=O 15159500 351378182 /nfs/dbraw/zinc/37/81/82/351378182.db2.gz KXDDDNKGVUBFQS-VHSXEESVSA-N 0 0 168.236 2.089 10 30 in-vitro AEEERN CC(C)=CCC[C@]1(C)O[C@H]1C=O 15159501 351378216 /nfs/dbraw/zinc/37/82/16/351378216.db2.gz KXDDDNKGVUBFQS-UWVGGRQHSA-N 0 0 168.236 2.089 10 30 in-vitro AEEERN CC(C)(O)C#Cc1cc(F)cc(F)c1 26547990 351419220 /nfs/dbraw/zinc/41/92/20/351419220.db2.gz ZYNRUVVKMWCQBJ-UHFFFAOYSA-N 0 0 196.196 2.087 10 30 AEEERN CC(C)C(=O)c1cccc(C#N)c1 32006701 351424371 /nfs/dbraw/zinc/42/43/71/351424371.db2.gz DPHHKPDWLVGSIN-UHFFFAOYSA-N 0 0 173.215 2.397 10 30 AEEERN C[C@@H]1CC(=NO)C[C@H](C)C1 32153610 351426570 /nfs/dbraw/zinc/42/65/70/351426570.db2.gz BTZZWXZMJCHUFK-KNVOCYPGSA-N 0 0 141.214 2.273 10 30 AEEERN CC(C)CSCCS 32163268 351426716 /nfs/dbraw/zinc/42/67/16/351426716.db2.gz PLFYWXBVQAASLC-UHFFFAOYSA-N 0 0 150.312 2.305 10 30 AEEERN C[C@@H]1C=CCC[C@@]1(C)C=O 33650167 351431111 /nfs/dbraw/zinc/43/11/11/351431111.db2.gz CYGGTUUCLIFNIU-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@@H]1C=CCC[C@]1(C)C=O 33650169 351431168 /nfs/dbraw/zinc/43/11/68/351431168.db2.gz CYGGTUUCLIFNIU-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CCSc1nccc(C)c1C#N 33732500 351431198 /nfs/dbraw/zinc/43/11/98/351431198.db2.gz PWCKBPRUZUBBEJ-UHFFFAOYSA-N 0 0 178.260 2.374 10 30 AEEERN CC[C@@H](C)[C@](C#N)(CC)C(=O)OC 33606126 351431288 /nfs/dbraw/zinc/43/12/88/351431288.db2.gz ACADKHGAMCGGHY-PSASIEDQSA-N 0 0 183.251 2.125 10 30 AEEERN CC[C@@H](C)[C@@](C#N)(CC)C(=O)OC 33606129 351431601 /nfs/dbraw/zinc/43/16/01/351431601.db2.gz ACADKHGAMCGGHY-SCZZXKLOSA-N 0 0 183.251 2.125 10 30 AEEERN SCc1cccc(Cl)n1 33884980 351432818 /nfs/dbraw/zinc/43/28/18/351432818.db2.gz CWASYNAIKKPDTO-UHFFFAOYSA-N 0 0 159.641 2.165 10 30 AEEERN CCCCC[C@H](S)CCO 33952622 351433311 /nfs/dbraw/zinc/43/33/11/351433311.db2.gz WKAXDMPFNOOFMS-QMMMGPOBSA-N 0 0 162.298 2.248 10 30 AEEERN CCCCC[C@@H](S)CCO 33952623 351433425 /nfs/dbraw/zinc/43/34/25/351433425.db2.gz WKAXDMPFNOOFMS-MRVPVSSYSA-N 0 0 162.298 2.248 10 30 AEEERN OCC[C@H](S)c1ccccc1 34142550 351435593 /nfs/dbraw/zinc/43/55/93/351435593.db2.gz NRTUFBUPOLTAGL-VIFPVBQESA-N 0 0 168.261 2.040 10 30 AEEERN OCC[C@@H](S)c1ccccc1 34142549 351436007 /nfs/dbraw/zinc/43/60/07/351436007.db2.gz NRTUFBUPOLTAGL-SECBINFHSA-N 0 0 168.261 2.040 10 30 AEEERN Cc1cccc(C(=O)C2=CCCO2)c1 34449934 351440537 /nfs/dbraw/zinc/44/05/37/351440537.db2.gz XRHTUXWQQJSEHL-UHFFFAOYSA-N 0 0 188.226 2.482 10 30 AEEERN C=CCCCC(=O)CCC[C@@H](C)O 34500369 351441313 /nfs/dbraw/zinc/44/13/13/351441313.db2.gz QOQZFWWLTAMSDW-SNVBAGLBSA-N 0 0 184.279 2.463 10 30 in-vitro AEEERN C=CCCCC(=O)CCC[C@H](C)O 34500366 351441332 /nfs/dbraw/zinc/44/13/32/351441332.db2.gz QOQZFWWLTAMSDW-JTQLQIEISA-N 0 0 184.279 2.463 10 30 in-vitro AEEERN C=CCOCc1ccc(O)cc1 34579070 351443623 /nfs/dbraw/zinc/44/36/23/351443623.db2.gz YBDQTBPNBWSXHU-UHFFFAOYSA-N 0 0 164.204 2.095 10 30 AEEERN [N-]=[N+]=Nc1ccc(Cl)nn1 34753608 351445946 /nfs/dbraw/zinc/44/59/46/351445946.db2.gz HEJKFZDBNPGYDU-UHFFFAOYSA-N 0 0 155.548 2.072 10 30 AEEERN CC(C)CCC[C@@H]1CO1 35089462 351448497 /nfs/dbraw/zinc/44/84/97/351448497.db2.gz JXAGBFXMUBZHEP-MRVPVSSYSA-N 0 0 128.215 2.212 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc(C#N)o1 36893198 351459803 /nfs/dbraw/zinc/45/98/03/351459803.db2.gz CDZAADDJXCGGSF-HTRCEHHLSA-N 0 0 147.177 2.275 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc(C#N)o1 36893196 351460092 /nfs/dbraw/zinc/46/00/92/351460092.db2.gz CDZAADDJXCGGSF-SVRRBLITSA-N 0 0 147.177 2.275 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(NC2CC2)C1 36924855 351460988 /nfs/dbraw/zinc/46/09/88/351460988.db2.gz LDMSNAXMQMYFFD-MWLCHTKSSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@@H](C#N)C(=O)c1occc1C 36915912 351461057 /nfs/dbraw/zinc/46/10/57/351461057.db2.gz OGTRNTCIBBKKHQ-QMMMGPOBSA-N 0 0 177.203 2.321 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)NC1CC1 36924866 351461150 /nfs/dbraw/zinc/46/11/50/351461150.db2.gz YBQPEADTXFJXJR-MWLCHTKSSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@@H](C#N)C(=O)c1ccoc1 36915914 351461255 /nfs/dbraw/zinc/46/12/55/351461255.db2.gz VFKPWWNFXGKENM-ZETCQYMHSA-N 0 0 163.176 2.012 10 30 AEEERN CC[C@@H](C#N)C(=O)C1CCCC1 36916094 351461268 /nfs/dbraw/zinc/46/12/68/351461268.db2.gz STQPYMXIKOTNOF-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(NC2CC2)C1 36924857 351461276 /nfs/dbraw/zinc/46/12/76/351461276.db2.gz LDMSNAXMQMYFFD-KOLCDFICSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@@H](C#N)C(=O)c1ccc(C)o1 36916074 351461305 /nfs/dbraw/zinc/46/13/05/351461305.db2.gz HLZYRLSDHUNZSQ-QMMMGPOBSA-N 0 0 177.203 2.321 10 30 AEEERN CC[C@@H](C#N)C(=O)c1cccs1 36916048 351461318 /nfs/dbraw/zinc/46/13/18/351461318.db2.gz RAURFQPBOKXBPD-ZETCQYMHSA-N 0 0 179.244 2.481 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)NC1CC1 36924864 351461407 /nfs/dbraw/zinc/46/14/07/351461407.db2.gz YBQPEADTXFJXJR-KOLCDFICSA-N 0 0 178.279 2.211 10 30 AEEERN CC[C@@H](C#N)C(=O)C(C)(C)C 36915998 351461473 /nfs/dbraw/zinc/46/14/73/351461473.db2.gz IFRCIPCFEYIYEO-ZETCQYMHSA-N 0 0 153.225 2.151 10 30 AEEERN C[C@@H]1CC[C@@H](C#N)[C@H](n2cccn2)C1 37147320 351463383 /nfs/dbraw/zinc/46/33/83/351463383.db2.gz ZPCXMYYDLWXLDM-OUAUKWLOSA-N 0 0 189.262 2.384 10 30 AEEERN CC[C@@H](C)N(C)c1cc(C#N)ccn1 37110464 351463460 /nfs/dbraw/zinc/46/34/60/351463460.db2.gz OXBWANMVZAECDD-SECBINFHSA-N 0 0 189.262 2.188 10 30 AEEERN CC(C)C[C@@](C)(C#N)N1CCCC1 37355471 351466446 /nfs/dbraw/zinc/46/64/46/351466446.db2.gz ZRMIWHJBHMWZFM-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)C[C@](C)(C#N)N1CCCC1 37355472 351466489 /nfs/dbraw/zinc/46/64/89/351466489.db2.gz ZRMIWHJBHMWZFM-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)C[C@@H](C#N)N1CCCCC1 37355727 351466632 /nfs/dbraw/zinc/46/66/32/351466632.db2.gz URBGOFJXWXRQJR-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)C[C@H](C#N)N1CCCCC1 37355728 351466665 /nfs/dbraw/zinc/46/66/65/351466665.db2.gz URBGOFJXWXRQJR-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)N(C)C 37355073 351466729 /nfs/dbraw/zinc/46/67/29/351466729.db2.gz XFAMEGUWZXGDDD-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(N(C)C)C1 37355103 351466816 /nfs/dbraw/zinc/46/68/16/351466816.db2.gz WCRORNVZQAPLAU-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)N(C)C 37355077 351466865 /nfs/dbraw/zinc/46/68/65/351466865.db2.gz XFAMEGUWZXGDDD-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN OCCC#Cc1ccc(Cl)cc1 37653955 351470876 /nfs/dbraw/zinc/47/08/76/351470876.db2.gz WNGPMJTUAQQXKH-UHFFFAOYSA-N 0 0 180.634 2.074 10 30 AEEERN CC[C@@H](C)[C@@](C)(C#N)N1CCCC1 37745430 351473107 /nfs/dbraw/zinc/47/31/07/351473107.db2.gz KDCQSYUNFLGCTI-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C)Oc1ccc(C#N)cc1N 37715638 351473131 /nfs/dbraw/zinc/47/31/31/351473131.db2.gz NUKSUCREKYRRRX-MRVPVSSYSA-N 0 0 190.246 2.318 10 30 AEEERN CC[C@@H](C)[C@](C)(C#N)N1CCCC1 37745432 351473142 /nfs/dbraw/zinc/47/31/42/351473142.db2.gz KDCQSYUNFLGCTI-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C#N)C(C)C 37755202 351473676 /nfs/dbraw/zinc/47/36/76/351473676.db2.gz QWQABVCWMQBZMY-SSDOTTSWSA-N 0 0 111.188 2.192 10 30 AEEERN CC[C@@H](C#N)C(C)C 37755201 351474016 /nfs/dbraw/zinc/47/40/16/351474016.db2.gz QWQABVCWMQBZMY-ZETCQYMHSA-N 0 0 111.188 2.192 10 30 AEEERN CC[C@@H](C#N)Nc1ccc(OC)cc1 37936586 351476768 /nfs/dbraw/zinc/47/67/68/351476768.db2.gz LOTXDCQMGAMNCL-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN CC[C@@H](C#N)NC1CCCCC1 37969461 351477006 /nfs/dbraw/zinc/47/70/06/351477006.db2.gz SBLBEZURZBKUOV-VIFPVBQESA-N 0 0 166.268 2.211 10 30 AEEERN OCCC#Cc1ccccc1Cl 38078169 351478447 /nfs/dbraw/zinc/47/84/47/351478447.db2.gz OYGIYUWQCXYGGX-UHFFFAOYSA-N 0 0 180.634 2.074 10 30 AEEERN CC[C@@H](C#N)N1CCCCCC1 38086277 351479238 /nfs/dbraw/zinc/47/92/38/351479238.db2.gz SUQCVFICJYIBJY-JTQLQIEISA-N 0 0 166.268 2.165 10 30 AEEERN c1ccc2c(c1)ccn2C[C@@H]1CO1 38865339 351484099 /nfs/dbraw/zinc/48/40/99/351484099.db2.gz LDCGJHXNODDHOO-SNVBAGLBSA-N 0 0 173.215 2.040 10 30 AEEERN c1ccc2c(c1)ccn2C[C@H]1CO1 38865342 351484126 /nfs/dbraw/zinc/48/41/26/351484126.db2.gz LDCGJHXNODDHOO-JTQLQIEISA-N 0 0 173.215 2.040 10 30 AEEERN C[C@@H]1c2ccccc2C[C@H]1C=O 39060514 351487219 /nfs/dbraw/zinc/48/72/19/351487219.db2.gz JHARVCAZIKGMPY-WPRPVWTQSA-N 0 0 160.216 2.161 10 30 AEEERN CCOc1ccsc1C#N 39089243 351490097 /nfs/dbraw/zinc/49/00/97/351490097.db2.gz QVAWZEKPRBCWCR-UHFFFAOYSA-N 0 0 153.206 2.018 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccccc1F 39088489 351490384 /nfs/dbraw/zinc/49/03/84/351490384.db2.gz BHULILGXGKNHNM-RCOVLWMOSA-N 0 0 152.168 2.286 10 30 AEEERN C[C@@H]1O[C@H]1c1ccccc1F 39088487 351490416 /nfs/dbraw/zinc/49/04/16/351490416.db2.gz BHULILGXGKNHNM-IMTBSYHQSA-N 0 0 152.168 2.286 10 30 AEEERN O=C[C@H]1CCc2cc(F)ccc21 39089039 351490460 /nfs/dbraw/zinc/49/04/60/351490460.db2.gz VWJXECQACJGFMY-MRVPVSSYSA-N 0 0 164.179 2.054 10 30 AEEERN O=C[C@@H]1CCc2cc(F)ccc21 39089038 351490471 /nfs/dbraw/zinc/49/04/71/351490471.db2.gz VWJXECQACJGFMY-QMMMGPOBSA-N 0 0 164.179 2.054 10 30 AEEERN CC1CC(=O)C(C(C)C)C(=O)C1 39104258 351491512 /nfs/dbraw/zinc/49/15/12/351491512.db2.gz VRVKTBJLIKYKLI-SSDOTTSWSA-N 0 0 168.236 2.454 10 30 AEEERN C[C@@H]1c2ccccc2[C@@H]2O[C@@H]21 39131845 351494655 /nfs/dbraw/zinc/49/46/55/351494655.db2.gz WUWYRHCOIFWYEY-DRTBCBBWSA-N 0 0 146.189 2.244 10 30 AEEERN c1ccc2c(c1)CCC[C@]21CO1 39192610 351496894 /nfs/dbraw/zinc/49/68/94/351496894.db2.gz UYJPQDRVQBXHQR-NSHDSACASA-N 0 0 160.216 2.248 10 30 AEEERN c1ccc2c(c1)CCC[C@@]21CO1 39192609 351496886 /nfs/dbraw/zinc/49/68/86/351496886.db2.gz UYJPQDRVQBXHQR-LLVKDONJSA-N 0 0 160.216 2.248 10 30 AEEERN C[C@@H]1CCCC[C@H]1C=O 39256152 351499884 /nfs/dbraw/zinc/49/98/84/351499884.db2.gz BXRDRWXTTQUDAR-SFYZADRCSA-N 0 0 126.199 2.012 10 30 in-vitro AEEERN C[C@@H]1CCCC[C@@H]1C=O 39256150 351500246 /nfs/dbraw/zinc/50/02/46/351500246.db2.gz BXRDRWXTTQUDAR-HTQZYQBOSA-N 0 0 126.199 2.012 10 30 in-vitro AEEERN C[C@@H](c1ccccc1)[C@@H](C#N)N(C)C 41046485 351513917 /nfs/dbraw/zinc/51/39/17/351513917.db2.gz UDNSCBXBPACMSV-CMPLNLGQSA-N 0 0 188.274 2.244 10 30 AEEERN CC(C)C(=O)[C@@H](C#N)C(C)C 41045714 351514591 /nfs/dbraw/zinc/51/45/91/351514591.db2.gz DZEHRZVLQDNRAH-QMMMGPOBSA-N 0 0 153.225 2.007 10 30 AEEERN CC(C)C(=O)[C@H](C#N)C(C)C 41045713 351514883 /nfs/dbraw/zinc/51/48/83/351514883.db2.gz DZEHRZVLQDNRAH-MRVPVSSYSA-N 0 0 153.225 2.007 10 30 AEEERN C[C@@H]1O[C@@H]1c1cccs1 41062108 351515597 /nfs/dbraw/zinc/51/55/97/351515597.db2.gz HOMVQVUALHUONC-FSPLSTOPSA-N 0 0 140.207 2.208 10 30 AEEERN C[C@@H]1O[C@H]1c1cccs1 41062106 351516163 /nfs/dbraw/zinc/51/61/63/351516163.db2.gz HOMVQVUALHUONC-CAHLUQPWSA-N 0 0 140.207 2.208 10 30 AEEERN CC[C@@H](C=O)c1cccc(OC)c1 41200324 351517432 /nfs/dbraw/zinc/51/74/32/351517432.db2.gz VRPPDXCRBLQPOB-VIFPVBQESA-N 0 0 178.231 2.388 10 30 AEEERN C[C@@](N)(C#N)Cc1ccc(Cl)cc1 41206917 351518162 /nfs/dbraw/zinc/51/81/62/351518162.db2.gz PSXJMAPSIFIYKG-JTQLQIEISA-N 0 0 194.665 2.123 10 30 AEEERN CC(C)=CCN(C)C[C@@H](C)C#N 42324489 351520968 /nfs/dbraw/zinc/52/09/68/351520968.db2.gz AIIUOEDHXPUXOT-JTQLQIEISA-N 0 0 166.268 2.044 10 30 AEEERN CC(C)=CCN(C)C[C@H](C)C#N 42324486 351521552 /nfs/dbraw/zinc/52/15/52/351521552.db2.gz AIIUOEDHXPUXOT-SNVBAGLBSA-N 0 0 166.268 2.044 10 30 AEEERN CC[C@@H](C)Oc1nc(C)ccc1C#N 43400535 351527760 /nfs/dbraw/zinc/52/77/60/351527760.db2.gz MVJHNUVNZVXBIY-SECBINFHSA-N 0 0 190.246 2.439 10 30 AEEERN CC[C@@H](C)Nc1nc(C)ccc1C#N 43395386 351527791 /nfs/dbraw/zinc/52/77/91/351527791.db2.gz SSJUZRQJSWZHDR-MRVPVSSYSA-N 0 0 189.262 2.472 10 30 AEEERN CCOc1ccc(N[C@H](C)C#N)cc1 43514052 351529459 /nfs/dbraw/zinc/52/94/59/351529459.db2.gz FXIVEWCPAHYRSJ-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN Cc1ccc(CC=O)cc1Cl 43502221 351529487 /nfs/dbraw/zinc/52/94/87/351529487.db2.gz WOGRNQUBKPXKSE-UHFFFAOYSA-N 0 0 168.623 2.390 10 30 AEEERN CCOc1ccc(N[C@@H](C)C#N)cc1 43514051 351529529 /nfs/dbraw/zinc/52/95/29/351529529.db2.gz FXIVEWCPAHYRSJ-VIFPVBQESA-N 0 0 190.246 2.409 10 30 AEEERN CCOc1cccc(N[C@H](C)C#N)c1 43515556 351529559 /nfs/dbraw/zinc/52/95/59/351529559.db2.gz FAZOGEAOBIOHHK-SECBINFHSA-N 0 0 190.246 2.409 10 30 AEEERN CC[C@@H](C#N)N1CCc2ccccc21 43556103 351530628 /nfs/dbraw/zinc/53/06/28/351530628.db2.gz HIBKKDAFIHEQCS-NSHDSACASA-N 0 0 186.258 2.351 10 30 AEEERN CC[C@@H](C#N)Sc1ccc(N)cn1 43542942 351530678 /nfs/dbraw/zinc/53/06/78/351530678.db2.gz VZKPGAYCQXTPSH-QMMMGPOBSA-N 0 0 193.275 2.058 10 30 AEEERN CC[C@@H](C#N)Oc1cccc(N)c1C 43538528 351530685 /nfs/dbraw/zinc/53/06/85/351530685.db2.gz CTLXTQKPAVHXHR-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(N)c(F)c1 43538546 351530691 /nfs/dbraw/zinc/53/06/91/351530691.db2.gz DZNJQYOSKMVARQ-ZETCQYMHSA-N 0 0 194.209 2.089 10 30 AEEERN CC[C@@H](C#N)NC1(C)CCCC1 43540893 351530727 /nfs/dbraw/zinc/53/07/27/351530727.db2.gz NIKLKTMOLGUXOW-VIFPVBQESA-N 0 0 166.268 2.211 10 30 AEEERN CC[C@@H](C#N)N1CCC(C)CC1 43555996 351530780 /nfs/dbraw/zinc/53/07/80/351530780.db2.gz LYDBBXOGUUVYQL-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(C)cc1N 43538538 351530789 /nfs/dbraw/zinc/53/07/89/351530789.db2.gz BLTDZLZITQEEAO-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Nc1ccc(C#N)cc1 43539288 351530816 /nfs/dbraw/zinc/53/08/16/351530816.db2.gz UCJGZWXJLARIHQ-JTQLQIEISA-N 0 0 185.230 2.272 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(O)cc1 43543318 351530925 /nfs/dbraw/zinc/53/09/25/351530925.db2.gz XTZMOVQWOGNMDK-VIFPVBQESA-N 0 0 177.203 2.073 10 30 AEEERN CC[C@@H](C#N)Oc1ccccc1O 43543320 351530957 /nfs/dbraw/zinc/53/09/57/351530957.db2.gz POIOPXNTMBZRJQ-QMMMGPOBSA-N 0 0 177.203 2.073 10 30 AEEERN CC[C@@H](C#N)Nc1ccccc1C#N 43539264 351531036 /nfs/dbraw/zinc/53/10/36/351531036.db2.gz FIZBMQPSLYNSBD-JTQLQIEISA-N 0 0 185.230 2.272 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(N)cc1F 43538522 351531053 /nfs/dbraw/zinc/53/10/53/351531053.db2.gz QHHMWDCPCWFCPV-QMMMGPOBSA-N 0 0 194.209 2.089 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(N)c(C)c1 43538506 351531092 /nfs/dbraw/zinc/53/10/92/351531092.db2.gz KQCMNZPHXRSFLG-VIFPVBQESA-N 0 0 190.246 2.258 10 30 AEEERN CC[C@@H](C#N)Sc1ccc(N)nc1 43542944 351531096 /nfs/dbraw/zinc/53/10/96/351531096.db2.gz LEIBLPKUNGJCRV-ZETCQYMHSA-N 0 0 193.275 2.058 10 30 AEEERN CCS[C@@H](C#N)CC 43557600 351531717 /nfs/dbraw/zinc/53/17/17/351531717.db2.gz SVQCBANBONMQEO-ZCFIWIBFSA-N 0 0 129.228 2.042 10 30 AEEERN CCS[C@H](C#N)CC 43557598 351532537 /nfs/dbraw/zinc/53/25/37/351532537.db2.gz SVQCBANBONMQEO-LURJTMIESA-N 0 0 129.228 2.042 10 30 AEEERN CC(C)COc1ccc(N)cc1C#N 44375032 351537764 /nfs/dbraw/zinc/53/77/64/351537764.db2.gz ZOSYOYDLQLTZGD-UHFFFAOYSA-N 0 0 190.246 2.175 10 30 AEEERN CC[C@@H](C#N)Oc1ccccc1C#N 44427837 351538932 /nfs/dbraw/zinc/53/89/32/351538932.db2.gz SVFBOZALASJRCW-JTQLQIEISA-N 0 0 186.214 2.239 10 30 AEEERN CC[C@@H](C#N)C(=O)N[C@H](CC)C(C)C 44825094 351540778 /nfs/dbraw/zinc/54/07/78/351540778.db2.gz GVSMVOHGYLINDP-VHSXEESVSA-N 0 0 196.294 2.087 10 30 AEEERN CC[C@@H](C#N)C(=O)N[C@@H](CC)C(C)C 44825092 351540863 /nfs/dbraw/zinc/54/08/63/351540863.db2.gz GVSMVOHGYLINDP-UWVGGRQHSA-N 0 0 196.294 2.087 10 30 AEEERN S[C@@H]1CC2CC1[C@H](S)C2 45809848 351543677 /nfs/dbraw/zinc/54/36/77/351543677.db2.gz FFQIEEZJIHXEIC-TVVDDFTJSA-N 0 0 160.307 2.013 10 30 AEEERN C[C@H](C#N)SCc1ccco1 48101665 351545964 /nfs/dbraw/zinc/54/59/64/351545964.db2.gz ARCXHJSRVXJUFC-SSDOTTSWSA-N 0 0 167.233 2.425 10 30 AEEERN C[C@@H]1C[C@H]1C(=O)C1=CCCC1 50325104 351553093 /nfs/dbraw/zinc/55/30/93/351553093.db2.gz SEVFSYBWACXFII-VXNVDRBHSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H]1C[C@@H]1C(=O)C1=CCCC1 50325101 351553110 /nfs/dbraw/zinc/55/31/10/351553110.db2.gz SEVFSYBWACXFII-APPZFPTMSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](C#N)N1CCc2sccc2C1 50499362 351554425 /nfs/dbraw/zinc/55/44/25/351554425.db2.gz ABQQWVHZSHEWPS-QMMMGPOBSA-N 0 0 192.287 2.018 10 30 AEEERN CC[C@@H](C)c1ccc(C#N)c(N)n1 50871123 351555629 /nfs/dbraw/zinc/55/56/29/351555629.db2.gz LVEGEQAZCKMKLE-SSDOTTSWSA-N 0 0 175.235 2.049 10 30 AEEERN CC#CCC(=O)Cc1ccccc1 51664532 351558258 /nfs/dbraw/zinc/55/82/58/351558258.db2.gz QOLINVRCEGIANU-UHFFFAOYSA-N 0 0 172.227 2.212 10 30 AEEERN CC#CCC(=O)c1cccc(F)c1 51664519 351558264 /nfs/dbraw/zinc/55/82/64/351558264.db2.gz IJEZFPJSNIUKKT-UHFFFAOYSA-N 0 0 176.190 2.422 10 30 AEEERN CC#CCC(=O)c1ccccc1OC 51664506 351558280 /nfs/dbraw/zinc/55/82/80/351558280.db2.gz AQHAVFATUZCXHE-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN CC#CCC(=O)c1ccc(OC)cc1 51664504 351558322 /nfs/dbraw/zinc/55/83/22/351558322.db2.gz XKGGDPOQNOBSLX-UHFFFAOYSA-N 0 0 188.226 2.291 10 30 AEEERN CC#CCC(=O)c1ccc(F)cc1 51664517 351558365 /nfs/dbraw/zinc/55/83/65/351558365.db2.gz PIHCCZYWNBDWOE-UHFFFAOYSA-N 0 0 176.190 2.422 10 30 AEEERN CC=C=CC(=O)c1cccs1 51664522 351558385 /nfs/dbraw/zinc/55/83/85/351558385.db2.gz UTGKLDISMTUMOM-UHFFFAOYSA-N 0 0 164.229 2.344 10 30 AEEERN CC[C@@H](C#N)Oc1ccc(F)cc1N 52065094 351562115 /nfs/dbraw/zinc/56/21/15/351562115.db2.gz VNKCHRJEKWKHDH-QMMMGPOBSA-N 0 0 194.209 2.089 10 30 AEEERN C[C@@H]1C[C@H]1Nc1ccccc1C#N 52292033 351566474 /nfs/dbraw/zinc/56/64/74/351566474.db2.gz DDPKXUPBMCXQDD-LDYMZIIASA-N 0 0 172.231 2.379 10 30 AEEERN C[C@@H]1C[C@H]1Nc1ccc(C#N)cc1 52292043 351566816 /nfs/dbraw/zinc/56/68/16/351566816.db2.gz TYDCPNRFVCYQRH-LDYMZIIASA-N 0 0 172.231 2.379 10 30 AEEERN C[C@@H]1C[C@@H]1Nc1ccccc1C#N 52292027 351567023 /nfs/dbraw/zinc/56/70/23/351567023.db2.gz DDPKXUPBMCXQDD-KCJUWKMLSA-N 0 0 172.231 2.379 10 30 AEEERN CC[C@@H](C)CNc1ccc(C#N)cn1 54473733 351573657 /nfs/dbraw/zinc/57/36/57/351573657.db2.gz SAZKCLOHGAGXBF-SECBINFHSA-N 0 0 189.262 2.411 10 30 AEEERN C=CCOc1cccc2c1CCC2=O 57524613 351580040 /nfs/dbraw/zinc/58/00/40/351580040.db2.gz FDNMKTNQLGPNDP-UHFFFAOYSA-N 0 0 188.226 2.380 10 30 AEEERN C[C@H](c1ccccc1F)N(C)CC#N 58000521 351580359 /nfs/dbraw/zinc/58/03/59/351580359.db2.gz BERBTKWUMHNBKK-SECBINFHSA-N 0 0 192.237 2.342 10 30 AEEERN CC[C@H](C#N)SC1CCOCC1 62054417 351585986 /nfs/dbraw/zinc/58/59/86/351585986.db2.gz XWLPTSFJRWCKEQ-MRVPVSSYSA-N 0 0 185.292 2.201 10 30 AEEERN CC[C@@H](C#N)SC1CCOCC1 62054416 351586238 /nfs/dbraw/zinc/58/62/38/351586238.db2.gz XWLPTSFJRWCKEQ-QMMMGPOBSA-N 0 0 185.292 2.201 10 30 AEEERN CCC1(C)CCN([C@@H](C)C#N)CC1 62953778 351590694 /nfs/dbraw/zinc/59/06/94/351590694.db2.gz AGSZLUXKJRLLRU-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CCC1(C)CCN([C@H](C)C#N)CC1 62953779 351590870 /nfs/dbraw/zinc/59/08/70/351590870.db2.gz AGSZLUXKJRLLRU-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN CCC1(CC)CCN(CC#N)CC1 62953815 351590910 /nfs/dbraw/zinc/59/09/10/351590910.db2.gz BQUOROJCFNIQTA-UHFFFAOYSA-N 0 0 180.295 2.412 10 30 AEEERN C[C@@H](C#N)N1CCCC(C)(C)C1 69793311 351600017 /nfs/dbraw/zinc/60/00/17/351600017.db2.gz HEPYQVVHNWDLAO-VIFPVBQESA-N 0 0 166.268 2.020 10 30 AEEERN C#CCCNc1ccccc1[N+](=O)[O-] 69790846 351599563 /nfs/dbraw/zinc/59/95/63/351599563.db2.gz WOVQKXQJFHPELX-UHFFFAOYSA-N 0 0 190.202 2.030 10 30 AEEERN C#CCCNc1ccc(Cl)cn1 69790775 351599611 /nfs/dbraw/zinc/59/96/11/351599611.db2.gz KESOGCMWTVOZRX-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C[C@H](C#N)N[C@H](C)C1CCCC1 69805136 351599750 /nfs/dbraw/zinc/59/97/50/351599750.db2.gz MTYMFSNWYHKFCY-RKDXNWHRSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@@H](C#N)N[C@@H](C)C1CCCC1 69805128 351599759 /nfs/dbraw/zinc/59/97/59/351599759.db2.gz MTYMFSNWYHKFCY-IUCAKERBSA-N 0 0 166.268 2.067 10 30 AEEERN C[C@H](N[C@H](C)C#N)C1CCCC1 69805130 351599815 /nfs/dbraw/zinc/59/98/15/351599815.db2.gz MTYMFSNWYHKFCY-BDAKNGLRSA-N 0 0 166.268 2.067 10 30 AEEERN C#CCCNc1nc2ccccc2o1 69790969 351599841 /nfs/dbraw/zinc/59/98/41/351599841.db2.gz RMHROBOZHWGMMG-UHFFFAOYSA-N 0 0 186.214 2.263 10 30 AEEERN C[C@@H](C#N)N[C@H](C)C1CCCC1 69805133 351599869 /nfs/dbraw/zinc/59/98/69/351599869.db2.gz MTYMFSNWYHKFCY-DTWKUNHWSA-N 0 0 166.268 2.067 10 30 AEEERN C#CCCNc1ccc(C#N)cc1F 69790808 351599958 /nfs/dbraw/zinc/59/99/58/351599958.db2.gz IDSLULWPZQRKAK-UHFFFAOYSA-N 0 0 188.205 2.133 10 30 AEEERN C#CCCNc1cc(C(C)C)ncn1 69790826 351599961 /nfs/dbraw/zinc/59/99/61/351599961.db2.gz DSNWYJMFGXTNLW-UHFFFAOYSA-N 0 0 189.262 2.035 10 30 AEEERN C#CCCNc1ncccc1Cl 69790975 351600008 /nfs/dbraw/zinc/60/00/08/351600008.db2.gz LYDJDGXJHROVFQ-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN C[C@H](C#N)N1CCCC(C)(C)C1 69793313 351600065 /nfs/dbraw/zinc/60/00/65/351600065.db2.gz HEPYQVVHNWDLAO-SECBINFHSA-N 0 0 166.268 2.020 10 30 AEEERN CC#CCn1ccnc1C(C)C 69950233 351600557 /nfs/dbraw/zinc/60/05/57/351600557.db2.gz GASDHWLYGNPAQL-UHFFFAOYSA-N 0 0 162.236 2.030 10 30 AEEERN [N-]=[N+]=Nc1ccccn1 72230801 351617626 /nfs/dbraw/zinc/61/76/26/351617626.db2.gz DIABUJYZLNKYQJ-UHFFFAOYSA-N 0 0 120.115 2.023 10 30 in-vitro AEEERN [N-]=[N+]=Nc1ccncc1 72230800 351617884 /nfs/dbraw/zinc/61/78/84/351617884.db2.gz MTSJKRDTLONZJP-UHFFFAOYSA-N 0 0 120.115 2.023 10 30 in-vitro AEEERN c1ccc([C@]2(c3ccccn3)CO2)cc1 75869982 351625176 /nfs/dbraw/zinc/62/51/76/351625176.db2.gz IZUNFZVAIPSPIZ-ZDUSSCGKSA-N 0 0 197.237 2.355 10 30 AEEERN SCCCc1nc2ccccc2[nH]1 79788332 351629253 /nfs/dbraw/zinc/62/92/53/351629253.db2.gz SNNLTRLHBHHUPZ-UHFFFAOYSA-N 0 0 192.287 2.425 10 30 AEEERN CC(C)[C@H](C)Nc1cccc(C#N)n1 80116890 351631033 /nfs/dbraw/zinc/63/10/33/351631033.db2.gz GLEIQTADDMFGDC-VIFPVBQESA-N 0 0 189.262 2.410 10 30 AEEERN CC(C)[C@@H](C)Nc1cccc(C#N)n1 80116885 351631352 /nfs/dbraw/zinc/63/13/52/351631352.db2.gz GLEIQTADDMFGDC-SECBINFHSA-N 0 0 189.262 2.410 10 30 AEEERN CC1(C)C[C@H]1Nc1cccc(C#N)n1 80118173 351631528 /nfs/dbraw/zinc/63/15/28/351631528.db2.gz QCKGSZMGLMSNQV-SECBINFHSA-N 0 0 187.246 2.164 10 30 AEEERN C=C(CC)Cn1ccnc1C 85070615 351652683 /nfs/dbraw/zinc/65/26/83/351652683.db2.gz ICOGTIJCCULSBN-UHFFFAOYSA-N 0 0 150.225 2.158 10 30 AEEERN N#CCSc1cccc(F)c1 85085223 351652736 /nfs/dbraw/zinc/65/27/36/351652736.db2.gz IERSLKMGCWSICZ-UHFFFAOYSA-N 0 0 167.208 2.441 10 30 AEEERN CC[C@H](C#N)Sc1ccncc1 87110255 351658404 /nfs/dbraw/zinc/65/84/04/351658404.db2.gz GKEHXHCMTCYAHW-MRVPVSSYSA-N 0 0 178.260 2.476 10 30 AEEERN CC[C@@H](C#N)Sc1ccncc1 87110254 351658580 /nfs/dbraw/zinc/65/85/80/351658580.db2.gz GKEHXHCMTCYAHW-QMMMGPOBSA-N 0 0 178.260 2.476 10 30 AEEERN Cc1ccc(N=[N+]=[N-])nc1 87667323 351661001 /nfs/dbraw/zinc/66/10/01/351661001.db2.gz XKSOSVFOLTWQOM-UHFFFAOYSA-N 0 0 134.142 2.332 10 30 AEEERN Cc1cccc([C@@H](C)NCC#N)c1 88162229 351661870 /nfs/dbraw/zinc/66/18/70/351661870.db2.gz GJKYLWRXANXKIV-SNVBAGLBSA-N 0 0 174.247 2.169 10 30 AEEERN Cc1cccc([C@H](C)NCC#N)c1 88162283 351662397 /nfs/dbraw/zinc/66/23/97/351662397.db2.gz GJKYLWRXANXKIV-JTQLQIEISA-N 0 0 174.247 2.169 10 30 AEEERN [N-]=[N+]=Nc1ccc2nccn2c1 89201353 351662967 /nfs/dbraw/zinc/66/29/67/351662967.db2.gz WVGBKLHKOHBFLX-UHFFFAOYSA-N 0 0 159.152 2.276 10 30 AEEERN [N-]=[N+]=Nc1cccc2nccn12 89201212 351663176 /nfs/dbraw/zinc/66/31/76/351663176.db2.gz AHLYZLHXALPPDG-UHFFFAOYSA-N 0 0 159.152 2.276 10 30 AEEERN [N-]=[N+]=Nc1ccn2ccnc2c1 89201456 351663336 /nfs/dbraw/zinc/66/33/36/351663336.db2.gz USIJHOMKTNVKHH-UHFFFAOYSA-N 0 0 159.152 2.276 10 30 AEEERN SCc1cccn1C1CC1 95078989 351668075 /nfs/dbraw/zinc/66/80/75/351668075.db2.gz XQBFFHMCERTJNS-UHFFFAOYSA-N 0 0 153.250 2.253 10 30 AEEERN CC(C)=NC(=O)c1ccccc1 95923417 351676213 /nfs/dbraw/zinc/67/62/13/351676213.db2.gz TUYYEVFJQGXDSE-UHFFFAOYSA-N 0 0 161.204 2.308 10 30 AEEERN C=CCCn1c(=O)oc2ccccc21 96549796 351683420 /nfs/dbraw/zinc/68/34/20/351683420.db2.gz FAAOBDMFTPIXLH-UHFFFAOYSA-N 0 0 189.214 2.171 10 30 AEEERN Cc1cccc(C)c1CN(C)CC#N 96811153 351684654 /nfs/dbraw/zinc/68/46/54/351684654.db2.gz BVTHZMYRCWGHSN-UHFFFAOYSA-N 0 0 188.274 2.259 10 30 AEEERN Cc1nccn1CC#Cc1ccccc1 111550653 351722475 /nfs/dbraw/zinc/72/24/75/351722475.db2.gz IPNCHUFQGRVORR-UHFFFAOYSA-N 0 0 196.253 2.243 10 30 AEEERN C=CCCn1cnc2c1CCCC2 124059264 351729399 /nfs/dbraw/zinc/72/93/99/351729399.db2.gz CWHPZRHGRFHABX-UHFFFAOYSA-N 0 0 176.263 2.338 10 30 AEEERN C=CCN(C)C(=O)NC1CCCCC1 127613578 351732514 /nfs/dbraw/zinc/73/25/14/351732514.db2.gz CUWSHDYEHFHARD-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCn1ccc2sccc2c1=O 128154376 351733963 /nfs/dbraw/zinc/73/39/63/351733963.db2.gz BUXTXBWFOCNPPA-UHFFFAOYSA-N 0 0 191.255 2.249 10 30 AEEERN C=C[C@@H](C)Nc1nc(C)cc(C)n1 130634023 351735041 /nfs/dbraw/zinc/73/50/41/351735041.db2.gz HAKRTUCHTOPWFD-SSDOTTSWSA-N 0 0 177.251 2.080 10 30 AEEERN CC[C@H]1CCCCCN1C(=O)CC#N 134361092 351738426 /nfs/dbraw/zinc/73/84/26/351738426.db2.gz KVHMIZVDIQXVFF-JTQLQIEISA-N 0 0 194.278 2.081 10 30 AEEERN CC[C@@H]1CCCCCN1C(=O)CC#N 134361072 351738583 /nfs/dbraw/zinc/73/85/83/351738583.db2.gz KVHMIZVDIQXVFF-SNVBAGLBSA-N 0 0 194.278 2.081 10 30 AEEERN C#Cc1ccc(Cl)c(C(=O)OC)c1 140480959 351744656 /nfs/dbraw/zinc/74/46/56/351744656.db2.gz YKYZMSXSJYYCPV-UHFFFAOYSA-N 0 0 194.617 2.108 10 30 AEEERN C=C(Oc1ccccc1)C(C)=O 142011143 351745755 /nfs/dbraw/zinc/74/57/55/351745755.db2.gz FYJRZRXAJWHYGO-UHFFFAOYSA-N 0 0 162.188 2.168 10 30 AEEERN C=C(C)CNC(=O)Nc1ccccc1 141747348 351745978 /nfs/dbraw/zinc/74/59/78/351745978.db2.gz LBTRHNJUJFTETK-UHFFFAOYSA-N 0 0 190.246 2.384 10 30 AEEERN CC#CCCn1cnc2ccccc21 157745086 351751310 /nfs/dbraw/zinc/75/13/10/351751310.db2.gz BQXVPYXBBAKQPY-UHFFFAOYSA-N 0 0 184.242 2.450 10 30 AEEERN C=CCn1ccc(C(F)(F)F)n1 159895725 351755975 /nfs/dbraw/zinc/75/59/75/351755975.db2.gz ATQDIHZBHMMMHC-UHFFFAOYSA-N 0 0 176.141 2.088 10 30 AEEERN N#CCCCn1cnc2c1CCCC2 160401472 351756389 /nfs/dbraw/zinc/75/63/89/351756389.db2.gz ANHUSKKZGZVHMX-UHFFFAOYSA-N 0 0 189.262 2.066 10 30 AEEERN O=C(/C=C/c1ccncc1)C1CC1 164202253 351762973 /nfs/dbraw/zinc/76/29/73/351762973.db2.gz UZSYJXGBXWHERK-DAFODLJHSA-N 0 0 173.215 2.074 10 30 AEEERN C=C[C@@H](C)Nc1ccc(F)cn1 164046251 351763179 /nfs/dbraw/zinc/76/31/79/351763179.db2.gz AKRPSVOJIUGHLG-SSDOTTSWSA-N 0 0 166.199 2.207 10 30 AEEERN O=C(/C=C/c1ccccn1)C1CC1 164202381 351763366 /nfs/dbraw/zinc/76/33/66/351763366.db2.gz ACZLCKKNRQACMO-VOTSOKGWSA-N 0 0 173.215 2.074 10 30 AEEERN C=C[C@H](C)Nc1ccc(F)cn1 164046149 351763643 /nfs/dbraw/zinc/76/36/43/351763643.db2.gz AKRPSVOJIUGHLG-ZETCQYMHSA-N 0 0 166.199 2.207 10 30 AEEERN O=C(/C=C/c1cccnc1)C1CC1 164203293 351763743 /nfs/dbraw/zinc/76/37/43/351763743.db2.gz ZPYXCCUGSTUREM-ZZXKWVIFSA-N 0 0 173.215 2.074 10 30 AEEERN C[C@@H](C#N)N1CC[C@H](C(C)(C)C)C1 164575800 351764021 /nfs/dbraw/zinc/76/40/21/351764021.db2.gz GZIQUPNQYOQSKB-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H](C#N)N1CC[C@H](C(C)(C)C)C1 164575923 351764520 /nfs/dbraw/zinc/76/45/20/351764520.db2.gz GZIQUPNQYOQSKB-ZJUUUORDSA-N 0 0 180.295 2.266 10 30 AEEERN C=CCNC(=O)N1CCC[C@H](C)CC1 170282701 351772808 /nfs/dbraw/zinc/77/28/08/351772808.db2.gz VANPLMSPURETGN-JTQLQIEISA-N 0 0 196.294 2.004 10 30 AEEERN C=CCNC(=O)N1CCC[C@@H](C)CC1 170282699 351772876 /nfs/dbraw/zinc/77/28/76/351772876.db2.gz VANPLMSPURETGN-SNVBAGLBSA-N 0 0 196.294 2.004 10 30 AEEERN CC(=O)CCC#C[Si](C)(C)C 196104366 351774544 /nfs/dbraw/zinc/77/45/44/351774544.db2.gz CPFGOSNAIUEGOI-UHFFFAOYSA-N 0 0 168.312 2.236 10 30 AEEERN C=C[C@H](C)OCC(=O)c1ccccc1 196178392 351774917 /nfs/dbraw/zinc/77/49/17/351774917.db2.gz HMDUFIUUJAINKQ-JTQLQIEISA-N 0 0 190.242 2.460 10 30 AEEERN C=C[C@@H](C)OCC(=O)c1ccccc1 196178397 351774976 /nfs/dbraw/zinc/77/49/76/351774976.db2.gz HMDUFIUUJAINKQ-SNVBAGLBSA-N 0 0 190.242 2.460 10 30 AEEERN C#C[C@@H](CCCCC)C(C)=O 196317603 351775441 /nfs/dbraw/zinc/77/54/41/351775441.db2.gz XBFQEXRYOHVHEZ-JTQLQIEISA-N 0 0 152.237 2.405 10 30 AEEERN C=C(C[C@@H](C)O)[Si](C)(C)C 196315443 351775557 /nfs/dbraw/zinc/77/55/57/351775557.db2.gz VQQZSDQMWOWCOX-SSDOTTSWSA-N 0 0 158.317 2.191 10 30 AEEERN CCCCC#CCC(=O)OCC 196336421 351775569 /nfs/dbraw/zinc/77/55/69/351775569.db2.gz HENKBPXZCWDXON-UHFFFAOYSA-N 0 0 168.236 2.133 10 30 AEEERN C#C[C@H](CCCCC)C(C)=O 196317595 351775630 /nfs/dbraw/zinc/77/56/30/351775630.db2.gz XBFQEXRYOHVHEZ-SNVBAGLBSA-N 0 0 152.237 2.405 10 30 AEEERN C=CC[C@@H](c1ccccc1)N(C)C=O 196632264 351777022 /nfs/dbraw/zinc/77/70/22/351777022.db2.gz HAHKJROKEYLRGT-LBPRGKRZSA-N 0 0 189.258 2.392 10 30 AEEERN C[Si](C)(C)CCCC=O 196991330 351777476 /nfs/dbraw/zinc/77/74/76/351777476.db2.gz LVTFDWNJGCCFKG-UHFFFAOYSA-N 0 0 144.290 2.304 10 30 AEEERN C=C1C[C@@H]2CCCC[C@H]2O1 197027244 351777614 /nfs/dbraw/zinc/77/76/14/351777614.db2.gz HBHJMPZOPSEAOS-DTWKUNHWSA-N 0 0 138.210 2.479 10 30 AEEERN CCCCCCC[C@H](CO)CCO 196984378 351777730 /nfs/dbraw/zinc/77/77/30/351777730.db2.gz UWIHDVYPIGJDKC-NSHDSACASA-N 0 0 188.311 2.338 10 30 AEEERN CCCCCCC[C@@H](CO)CCO 196984388 351777736 /nfs/dbraw/zinc/77/77/36/351777736.db2.gz UWIHDVYPIGJDKC-LLVKDONJSA-N 0 0 188.311 2.338 10 30 AEEERN C=CCC/C(C)=C/COC(C)=O 197229835 351778140 /nfs/dbraw/zinc/77/81/40/351778140.db2.gz LHKNHGOTHJBYCG-VQHVLOKHSA-N 0 0 168.236 2.462 10 30 AEEERN O=C1C=C(OCc2ccccc2)CC1 197178074 351778167 /nfs/dbraw/zinc/77/81/67/351778167.db2.gz QZYWJFJXQQNANL-UHFFFAOYSA-N 0 0 188.226 2.450 10 30 AEEERN C=C[C@@H]1C[C@@H]1C(=O)OC(C)(C)C 197155779 351778182 /nfs/dbraw/zinc/77/81/82/351778182.db2.gz OTBHUSKYELMAMV-SFYZADRCSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@H]1C[C@@H]1C(=O)OC(C)(C)C 197155756 351778196 /nfs/dbraw/zinc/77/81/96/351778196.db2.gz OTBHUSKYELMAMV-YUMQZZPRSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@@H]1C[C@H]1C(=O)OC(C)(C)C 197155765 351778201 /nfs/dbraw/zinc/77/82/01/351778201.db2.gz OTBHUSKYELMAMV-HTQZYQBOSA-N 0 0 168.236 2.150 10 30 AEEERN C=C[C@H]1C[C@H]1C(=O)OC(C)(C)C 197155742 351778221 /nfs/dbraw/zinc/77/82/21/351778221.db2.gz OTBHUSKYELMAMV-JGVFFNPUSA-N 0 0 168.236 2.150 10 30 AEEERN CC1=NOC(=O)[C@@H]1c1ccc(C)cc1 198718341 351779100 /nfs/dbraw/zinc/77/91/00/351779100.db2.gz KSTCTLIRSYQRCW-JTQLQIEISA-N 0 0 189.214 2.011 10 30 AEEERN CC1=NOC(=O)[C@H]1c1ccc(C)cc1 198718353 351779104 /nfs/dbraw/zinc/77/91/04/351779104.db2.gz KSTCTLIRSYQRCW-SNVBAGLBSA-N 0 0 189.214 2.011 10 30 AEEERN C=CCCC(=O)/C=C/C 199739345 351779785 /nfs/dbraw/zinc/77/97/85/351779785.db2.gz PRVSADDRRLEJRJ-GQCTYLIASA-N 0 0 124.183 2.098 10 30 AEEERN CCO/C=C(/C)C(=O)C(F)(F)F 205238309 351784343 /nfs/dbraw/zinc/78/43/43/351784343.db2.gz MDSDQULKLSBZHK-PLNGDYQASA-N 0 0 182.141 2.058 10 30 AEEERN C=C[C@]1(C)Cc2occ(C)c2CC1=O 205237554 351784676 /nfs/dbraw/zinc/78/46/76/351784676.db2.gz YTIBERPTTGLTLE-GFCCVEGCSA-N 0 0 190.242 2.448 10 30 AEEERN CC(C)(C)C(=O)C=C(N)c1ccco1 216118156 351787650 /nfs/dbraw/zinc/78/76/50/351787650.db2.gz TWSODCFUYCNLQL-BQYQJAHWSA-N 0 0 193.246 2.194 10 30 AEEERN CC(C)CCc1cc(/C=N/O)ccn1 216082219 351787714 /nfs/dbraw/zinc/78/77/14/351787714.db2.gz YNSHPOQFQZERKA-MDWZMJQESA-N 0 0 192.262 2.478 10 30 AEEERN C[C@@H]1CCCN([C@H](C)C#N)CC1 216819018 351788368 /nfs/dbraw/zinc/78/83/68/351788368.db2.gz WTJCZZWLNIDTQQ-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@]12CCC(=O)C=C1CC[C@H]2C#N 220078586 351791837 /nfs/dbraw/zinc/79/18/37/351791837.db2.gz UYIWKJSDHWEWLE-GXSJLCMTSA-N 0 0 175.231 2.216 10 30 AEEERN Cc1nc(S[C@H](C)C#N)oc1C 221414760 351793395 /nfs/dbraw/zinc/79/33/95/351793395.db2.gz HDGUDVCNCNPWKP-RXMQYKEDSA-N 0 0 182.248 2.296 10 30 AEEERN Cc1nc(S[C@@H](C)C#N)oc1C 221414700 351793447 /nfs/dbraw/zinc/79/34/47/351793447.db2.gz HDGUDVCNCNPWKP-YFKPBYRVSA-N 0 0 182.248 2.296 10 30 AEEERN Cc1csc2c(CC#N)ncnc12 222378157 351794019 /nfs/dbraw/zinc/79/40/19/351794019.db2.gz AIWMEVLVHCYMCR-UHFFFAOYSA-N 0 0 189.243 2.066 10 30 AEEERN N#CCNc1nc2ccccc2s1 222665606 351794448 /nfs/dbraw/zinc/79/44/48/351794448.db2.gz OCGYVWJFIRRWEH-UHFFFAOYSA-N 0 0 189.243 2.232 10 30 AEEERN C=C(C)CCn1ccc(C)cc1=O 229083715 351806886 /nfs/dbraw/zinc/80/68/86/351806886.db2.gz IPJZPTDZEGKSGT-UHFFFAOYSA-N 0 0 177.247 2.123 10 30 AEEERN C=C(C)CCn1cccc(C)c1=O 229083579 351806891 /nfs/dbraw/zinc/80/68/91/351806891.db2.gz QEHBTBULCLSNQX-UHFFFAOYSA-N 0 0 177.247 2.123 10 30 AEEERN CC(C)C1CCN([C@@H](C)C#N)CC1 230079540 351810071 /nfs/dbraw/zinc/81/00/71/351810071.db2.gz NBUDXZFVAIFPFN-JTQLQIEISA-N 0 0 180.295 2.266 10 30 AEEERN CC(C)C1CCN([C@H](C)C#N)CC1 230079544 351810114 /nfs/dbraw/zinc/81/01/14/351810114.db2.gz NBUDXZFVAIFPFN-SNVBAGLBSA-N 0 0 180.295 2.266 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC[C@@H]1C 230935907 351811363 /nfs/dbraw/zinc/81/13/63/351811363.db2.gz MRVSSGUZIRTXPN-VHSXEESVSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCN(C)C(=O)c1ccc(Cl)o1 230935958 351811367 /nfs/dbraw/zinc/81/13/67/351811367.db2.gz FZRSLAYPNUCNDL-UHFFFAOYSA-N 0 0 199.637 2.191 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CCC[C@H]1C 230935913 351811370 /nfs/dbraw/zinc/81/13/70/351811370.db2.gz MRVSSGUZIRTXPN-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C=C(C)CNC(=O)[C@H]1CCC[C@@H]1C 230935911 351811458 /nfs/dbraw/zinc/81/14/58/351811458.db2.gz MRVSSGUZIRTXPN-UWVGGRQHSA-N 0 0 181.279 2.115 10 30 AEEERN C=C(C)CNC(=O)[C@H]1CCC[C@H]1C 230935917 351811460 /nfs/dbraw/zinc/81/14/60/351811460.db2.gz MRVSSGUZIRTXPN-ZJUUUORDSA-N 0 0 181.279 2.115 10 30 AEEERN C[C@@H]1CC[C@H](CC(C)(C)C#N)O1 232059262 351813247 /nfs/dbraw/zinc/81/32/47/351813247.db2.gz XGAGEXKSBSWTCD-RKDXNWHRSA-N 0 0 167.252 2.494 10 30 AEEERN C[C@@H]1CC[C@@H](CC(C)(C)C#N)O1 232059260 351813523 /nfs/dbraw/zinc/81/35/23/351813523.db2.gz XGAGEXKSBSWTCD-BDAKNGLRSA-N 0 0 167.252 2.494 10 30 AEEERN C=C(C)C[C@@H](O)[C@H]1CC1(C)C 232455823 351814736 /nfs/dbraw/zinc/81/47/36/351814736.db2.gz VUOMOJYXQLKTAT-RKDXNWHRSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)C[C@@H](O)c1cccc(N)c1 232456643 351814846 /nfs/dbraw/zinc/81/48/46/351814846.db2.gz YGIDHPVQFHOMMI-LLVKDONJSA-N 0 0 177.247 2.268 10 30 AEEERN C=C(C)C[C@@H](O)[C@@H]1CC1(C)C 232455622 351814876 /nfs/dbraw/zinc/81/48/76/351814876.db2.gz VUOMOJYXQLKTAT-DTWKUNHWSA-N 0 0 154.253 2.360 10 30 AEEERN Cc1ccc(NC2CC2)c(C#N)c1 235883166 351817033 /nfs/dbraw/zinc/81/70/33/351817033.db2.gz OECCFYCYMLIWBU-UHFFFAOYSA-N 0 0 172.231 2.441 10 30 AEEERN C#CCNc1cc(F)c(C)cc1F 235880038 351817142 /nfs/dbraw/zinc/81/71/42/351817142.db2.gz WCHWPJFJXBQESA-UHFFFAOYSA-N 0 0 181.185 2.318 10 30 AEEERN Cc1cc(F)c(NCC#N)cc1F 235880093 351817487 /nfs/dbraw/zinc/81/74/87/351817487.db2.gz ZPRDGVZXNBUENG-UHFFFAOYSA-N 0 0 182.173 2.209 10 30 AEEERN Cc1ccc(NC2(C#N)CC2)cc1 235880618 351817589 /nfs/dbraw/zinc/81/75/89/351817589.db2.gz XIACKPRYXQCVMF-UHFFFAOYSA-N 0 0 172.231 2.463 10 30 AEEERN Cc1ccc(F)c([C@H]2CO2)c1 235892273 351818111 /nfs/dbraw/zinc/81/81/11/351818111.db2.gz SRYWYIGEUGITBS-SECBINFHSA-N 0 0 152.168 2.205 10 30 AEEERN CCC[C@@H](S)CC(C)=O 238263446 351819457 /nfs/dbraw/zinc/81/94/57/351819457.db2.gz SMMYHWPJPFCRLH-SSDOTTSWSA-N 0 0 146.255 2.064 10 30 AEEERN CC[C@H](C)C(=O)/C=C/Cl 238307615 351820504 /nfs/dbraw/zinc/82/05/04/351820504.db2.gz BDMOBFFSRKDYJP-OVCGOVNKSA-N 0 0 146.617 2.354 10 30 AEEERN COc1ccc(F)c2[nH]c(C#N)cc12 238349640 351820962 /nfs/dbraw/zinc/82/09/62/351820962.db2.gz RGPPPJDPFGMCFV-UHFFFAOYSA-N 0 0 190.177 2.187 10 30 AEEERN C[C@H]1CC=C[C@@H](C)[C@H]1C=O 238471185 351822011 /nfs/dbraw/zinc/82/20/11/351822011.db2.gz CJHVOGFYMKIUAW-HRDYMLBCSA-N 0 0 138.210 2.034 10 30 AEEERN C[C@]1(CCC#N)CCCC1=O 238472092 351822039 /nfs/dbraw/zinc/82/20/39/351822039.db2.gz GUBISRXBDPIDEC-SECBINFHSA-N 0 0 151.209 2.049 10 30 AEEERN CC[C@H]1CCCN([C@H](C)C#N)C1 251600366 351835382 /nfs/dbraw/zinc/83/53/82/351835382.db2.gz DCFSCYNXOOWPLZ-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H]1CCCN([C@H](C)C#N)C1 251600358 351835581 /nfs/dbraw/zinc/83/55/81/351835581.db2.gz DCFSCYNXOOWPLZ-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H]1CCCN([C@H](C)C#N)CC1 251857697 351836344 /nfs/dbraw/zinc/83/63/44/351836344.db2.gz SLKXXZQFPHBJPE-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H]1CCCN([C@H](C)C#N)CC1 251857698 351836421 /nfs/dbraw/zinc/83/64/21/351836421.db2.gz SLKXXZQFPHBJPE-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H]1CCCN([C@H](C)C#N)CC1 252212595 351837403 /nfs/dbraw/zinc/83/74/03/351837403.db2.gz WTJCZZWLNIDTQQ-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN ON=Cc1cc(Cl)cs1 252611181 351841300 /nfs/dbraw/zinc/84/13/00/351841300.db2.gz VIENXVAIRCDYRB-UHFFFAOYSA-N 0 0 161.613 2.210 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 253105456 351844464 /nfs/dbraw/zinc/84/44/64/351844464.db2.gz SYNFBRHMIYNUQA-URLYPYJESA-N 0 0 193.290 2.115 10 30 AEEERN ON=C[C@@H]1C=C(F)C=C[C@@]1(F)Cl 257353341 351849670 /nfs/dbraw/zinc/84/96/70/351849670.db2.gz QPYKYWXKNIVEKV-FSPLSTOPSA-N 0 0 193.580 2.390 10 30 AEEERN ON=C[C@H]1C=C(F)C=C[C@]1(F)Cl 257353342 351849688 /nfs/dbraw/zinc/84/96/88/351849688.db2.gz QPYKYWXKNIVEKV-IYSWYEEDSA-N 0 0 193.580 2.390 10 30 AEEERN ON=C[C@@H]1C=C(F)C=C[C@]1(F)Cl 257353340 351849695 /nfs/dbraw/zinc/84/96/95/351849695.db2.gz QPYKYWXKNIVEKV-CAHLUQPWSA-N 0 0 193.580 2.390 10 30 AEEERN ON=C[C@H]1C=C(F)C=C[C@@]1(F)Cl 257353343 351849703 /nfs/dbraw/zinc/84/97/03/351849703.db2.gz QPYKYWXKNIVEKV-VDTYLAMSSA-N 0 0 193.580 2.390 10 30 AEEERN O=CC1CC(OCc2ccccc2)C1 257852554 351852864 /nfs/dbraw/zinc/85/28/64/351852864.db2.gz PFDGLWBUJWFRJE-UHFFFAOYSA-N 0 0 190.242 2.181 10 30 AEEERN COc1c(C)cc(C#N)cc1F 257915591 351854667 /nfs/dbraw/zinc/85/46/67/351854667.db2.gz BNBQKBCPKUHNGL-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN Cc1ccc(CC#N)c(C)c1O 257913702 351854818 /nfs/dbraw/zinc/85/48/18/351854818.db2.gz BFGMMLUSIJTVRA-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN COc1c(C)cc(C(C)=O)cc1C#N 257960396 351856213 /nfs/dbraw/zinc/85/62/13/351856213.db2.gz BUUVKZVEDWHXSR-UHFFFAOYSA-N 0 0 189.214 2.078 10 30 AEEERN COc1ccc(C)c(C)c1C#N 257952141 351856230 /nfs/dbraw/zinc/85/62/30/351856230.db2.gz FVARDMIEUOSJOH-UHFFFAOYSA-N 0 0 161.204 2.184 10 30 AEEERN CC(=O)c1cc(C#N)c(F)cc1F 257956591 351856236 /nfs/dbraw/zinc/85/62/36/351856236.db2.gz GIFOSJOFRUTXED-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CCc1c(C#N)cc(F)cc1OC 257952070 351856243 /nfs/dbraw/zinc/85/62/43/351856243.db2.gz FSUAAMTVWPJPCC-UHFFFAOYSA-N 0 0 179.194 2.268 10 30 AEEERN CCc1c(C#N)ccc(OC)c1OC 257951727 351856288 /nfs/dbraw/zinc/85/62/88/351856288.db2.gz AYZHUNBCOBYRDO-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1c(F)cc(C#N)cc1OC 257977378 351856564 /nfs/dbraw/zinc/85/65/64/351856564.db2.gz JECFYNADWPHCIL-UHFFFAOYSA-N 0 0 179.194 2.268 10 30 AEEERN COc1c(CC#N)ccc(C)c1F 257994937 351856745 /nfs/dbraw/zinc/85/67/45/351856745.db2.gz LDFMOXBELANDGY-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN COc1cc(CC#N)c(F)cc1F 257977227 351856787 /nfs/dbraw/zinc/85/67/87/351856787.db2.gz DMAQKHDVUHFLIY-UHFFFAOYSA-N 0 0 183.157 2.039 10 30 AEEERN COc1c(C)ccc(CC#N)c1C 258000846 351857327 /nfs/dbraw/zinc/85/73/27/351857327.db2.gz LUJPQSVXAXLYKP-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN CCc1ccc(F)c(C#N)c1F 258002653 351857329 /nfs/dbraw/zinc/85/73/29/351857329.db2.gz LZZBGUMJUYIKPY-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN COc1cc(C#N)cc(C)c1C 258028578 351857414 /nfs/dbraw/zinc/85/74/14/351857414.db2.gz OUGLXBOREYMUPK-UHFFFAOYSA-N 0 0 161.204 2.184 10 30 AEEERN CCc1c(OC)ccc(C#N)c1OC 258008875 351857486 /nfs/dbraw/zinc/85/74/86/351857486.db2.gz HGEHISGETRBLEU-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CC(=O)c1cc(C#N)c(C)cc1C 257998942 351857595 /nfs/dbraw/zinc/85/75/95/351857595.db2.gz LRUPYZDYBBAZBZ-UHFFFAOYSA-N 0 0 173.215 2.378 10 30 AEEERN CCc1cc(C#N)c(OC)cc1F 258015878 351857598 /nfs/dbraw/zinc/85/75/98/351857598.db2.gz NNXREHQKYOTURZ-UHFFFAOYSA-N 0 0 179.194 2.268 10 30 AEEERN Cc1ccc(CC#N)c(O)c1C 258056316 351857960 /nfs/dbraw/zinc/85/79/60/351857960.db2.gz SBFBDKLNNVRJPN-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN COc1cc(CC#N)cc(C)c1C 258060398 351858024 /nfs/dbraw/zinc/85/80/24/351858024.db2.gz SOTHAODUGKISRV-UHFFFAOYSA-N 0 0 175.231 2.378 10 30 AEEERN COc1cc(C#N)cc(F)c1C 258066891 351858107 /nfs/dbraw/zinc/85/81/07/351858107.db2.gz UAMFDLJYPOGGQR-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN CC(=O)c1cc(C)c(C)c(C#N)c1 258054395 351858340 /nfs/dbraw/zinc/85/83/40/351858340.db2.gz RSUJTIQWLIPBKC-UHFFFAOYSA-N 0 0 173.215 2.378 10 30 AEEERN CCc1cc(F)c(OC)c(C#N)c1 258052329 351858395 /nfs/dbraw/zinc/85/83/95/351858395.db2.gz RNWBKKMKTPAPJC-UHFFFAOYSA-N 0 0 179.194 2.268 10 30 AEEERN COc1cc(F)c(C#N)cc1C 258052268 351858420 /nfs/dbraw/zinc/85/84/20/351858420.db2.gz RKVGBQIAKQNILQ-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN COc1cc(C)c(F)c(C#N)c1 258045986 351858450 /nfs/dbraw/zinc/85/84/50/351858450.db2.gz QQLLWNNVCBKEHK-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN CCOc1cc(C#N)c(OC)cc1C 258067386 351858501 /nfs/dbraw/zinc/85/85/01/351858501.db2.gz LXFRBWUXNIXMQG-UHFFFAOYSA-N 0 0 191.230 2.274 10 30 AEEERN CCc1cc(C#N)c(F)cc1F 258044404 351858522 /nfs/dbraw/zinc/85/85/22/351858522.db2.gz QKQYZNNJGHIQMS-UHFFFAOYSA-N 0 0 167.158 2.399 10 30 AEEERN Cc1cc(CC#N)cc(O)c1C 258052312 351858533 /nfs/dbraw/zinc/85/85/33/351858533.db2.gz RNGWZMOCTLOVCV-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN CC(=O)c1cc(C#N)cc(C)c1C 258090347 351858727 /nfs/dbraw/zinc/85/87/27/351858727.db2.gz WSDWNZLRWLJSAQ-UHFFFAOYSA-N 0 0 173.215 2.378 10 30 AEEERN COc1c(F)cc(C)cc1C#N 258074722 351859107 /nfs/dbraw/zinc/85/91/07/351859107.db2.gz UYFLDXMGSNHYBC-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN CCc1c(C#N)cc(OC)cc1OC 258153017 351859492 /nfs/dbraw/zinc/85/94/92/351859492.db2.gz UIIJRICHYLRAFD-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN COc1cc(C#N)c(O)c(C(F)F)c1 258116474 351859696 /nfs/dbraw/zinc/85/96/96/351859696.db2.gz LUWYTXCTUBTSOW-UHFFFAOYSA-N 0 0 199.156 2.210 10 30 AEEERN CCc1c(OC)ccc(OC)c1C#N 258121164 351859789 /nfs/dbraw/zinc/85/97/89/351859789.db2.gz QOFKVBQFUSDCHJ-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1ccc(OC)c(OC)c1C#N 258138677 351859892 /nfs/dbraw/zinc/85/98/92/351859892.db2.gz SGGLQSSJZIHQSV-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1cc(OC)c(OC)cc1C#N 258209789 351860273 /nfs/dbraw/zinc/86/02/73/351860273.db2.gz ZGMVSPATUPPANY-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1cc(CC#N)c(OC)cc1F 258181911 351860448 /nfs/dbraw/zinc/86/04/48/351860448.db2.gz WQXAYZOGJREYIN-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1cc(C#N)c(OC)c(OC)c1 258178996 351860612 /nfs/dbraw/zinc/86/06/12/351860612.db2.gz WJTKOVJPFXNPSI-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CC(C)c1nc(CC=O)cs1 258281314 351861204 /nfs/dbraw/zinc/86/12/04/351861204.db2.gz YKDNBCFKIXKGNE-UHFFFAOYSA-N 0 0 169.249 2.008 10 30 AEEERN O=CCC(F)(F)c1ccccc1 258657397 351865529 /nfs/dbraw/zinc/86/55/29/351865529.db2.gz ZZMBQJUPNTUJHR-UHFFFAOYSA-N 0 0 170.158 2.367 10 30 AEEERN CN(Cc1cccs1)C(C)(C)C#N 258741923 351866377 /nfs/dbraw/zinc/86/63/77/351866377.db2.gz HXMAQQJJTYAZEH-UHFFFAOYSA-N 0 0 194.303 2.482 10 30 AEEERN CN(CC(C)(C)C)C(C)(C)C#N 258722513 351866437 /nfs/dbraw/zinc/86/64/37/351866437.db2.gz GGVLJNPVFZPYFW-UHFFFAOYSA-N 0 0 168.284 2.266 10 30 AEEERN CC(C)C[C@]1(C#N)CCCCN1 258836024 351866975 /nfs/dbraw/zinc/86/69/75/351866975.db2.gz VBHLHFIBBSVPOJ-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN CC(C)C[C@@]1(C#N)CCCCN1 258836025 351867088 /nfs/dbraw/zinc/86/70/88/351867088.db2.gz VBHLHFIBBSVPOJ-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN CN(CC1CCC1)C(C)(C)C#N 258816388 351867610 /nfs/dbraw/zinc/86/76/10/351867610.db2.gz OQUFQLGWYDXLCL-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN CC(C)(C#N)CNc1ccncc1 258901460 351868022 /nfs/dbraw/zinc/86/80/22/351868022.db2.gz KVRUGOAEIPIOKG-UHFFFAOYSA-N 0 0 175.235 2.043 10 30 AEEERN C=CCNc1cc(C)c(C)cc1N 258904092 351868152 /nfs/dbraw/zinc/86/81/52/351868152.db2.gz GSRRDCXPPVPISU-UHFFFAOYSA-N 0 0 176.263 2.484 10 30 AEEERN CSc1ccc(N(C)CC#N)cc1 258881883 351868165 /nfs/dbraw/zinc/86/81/65/351868165.db2.gz VOCWXQBZBABKBX-UHFFFAOYSA-N 0 0 192.287 2.368 10 30 AEEERN CC(C)[C@@H](C#N)CNc1cccnc1 259014095 351868973 /nfs/dbraw/zinc/86/89/73/351868973.db2.gz OYUCLHSLBGBSHP-JTQLQIEISA-N 0 0 189.262 2.289 10 30 AEEERN CC(C)[C@H](C#N)CNc1cccnc1 259014096 351868993 /nfs/dbraw/zinc/86/89/93/351868993.db2.gz OYUCLHSLBGBSHP-SNVBAGLBSA-N 0 0 189.262 2.289 10 30 AEEERN N#CC1(Cc2ccccn2)CCC1 259031381 351869071 /nfs/dbraw/zinc/86/90/71/351869071.db2.gz BOIWYBHJHOYKFS-UHFFFAOYSA-N 0 0 172.231 2.318 10 30 AEEERN C=CCNc1c(N)cccc1F 258981042 351869094 /nfs/dbraw/zinc/86/90/94/351869094.db2.gz OODNSNMADRLGPZ-UHFFFAOYSA-N 0 0 166.199 2.006 10 30 AEEERN CCc1nc(CCC#N)cs1 259099403 351869801 /nfs/dbraw/zinc/86/98/01/351869801.db2.gz AOTDGSABYBTPJZ-UHFFFAOYSA-N 0 0 166.249 2.162 10 30 AEEERN N#CCc1nc(-c2ccc[nH]2)cs1 259291198 351872645 /nfs/dbraw/zinc/87/26/45/351872645.db2.gz PXSVNHLTIXGETD-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN CCc1nc(CCS)cs1 259399265 351874589 /nfs/dbraw/zinc/87/45/89/351874589.db2.gz TUWYHLYRKVDRRE-UHFFFAOYSA-N 0 0 173.306 2.178 10 30 AEEERN CC1(C)CCN(C(C)(C)C#N)CC1 259415770 351874642 /nfs/dbraw/zinc/87/46/42/351874642.db2.gz YYYSCMDAYSRJHH-UHFFFAOYSA-N 0 0 180.295 2.411 10 30 AEEERN N#Cc1ccc(-c2cn[nH]c2)s1 259560406 351876619 /nfs/dbraw/zinc/87/66/19/351876619.db2.gz CLROZUCMNIFVLM-UHFFFAOYSA-N 0 0 175.216 2.010 10 30 AEEERN CC1(C)CCC([C@H](N)C#N)CC1 259702972 351878047 /nfs/dbraw/zinc/87/80/47/351878047.db2.gz UXUARDMKKOLKQB-SECBINFHSA-N 0 0 166.268 2.054 10 30 AEEERN CC1(C)CCC([C@@H](N)C#N)CC1 259702976 351878257 /nfs/dbraw/zinc/87/82/57/351878257.db2.gz UXUARDMKKOLKQB-VIFPVBQESA-N 0 0 166.268 2.054 10 30 AEEERN Cc1nccc(C#N)c1Br 259725234 351879147 /nfs/dbraw/zinc/87/91/47/351879147.db2.gz OSRDIBSOHAPXJP-UHFFFAOYSA-N 0 0 197.035 2.024 10 30 AEEERN Cc1cccc(C2(C#N)CCC2)n1 259832491 351880234 /nfs/dbraw/zinc/88/02/34/351880234.db2.gz RMFSZVLJFIPQSZ-UHFFFAOYSA-N 0 0 172.231 2.335 10 30 AEEERN N#CC1(C2CC2)CCCC1 259831599 351880256 /nfs/dbraw/zinc/88/02/56/351880256.db2.gz OIGHKVGZQWDHOB-UHFFFAOYSA-N 0 0 135.210 2.480 10 30 AEEERN O=CC1CC(Oc2ccccc2)C1 259813591 351880319 /nfs/dbraw/zinc/88/03/19/351880319.db2.gz SUIIJWDZPASJSZ-UHFFFAOYSA-N 0 0 176.215 2.043 10 30 AEEERN N#CC1(CC2CC2)CCC1 259859805 351881183 /nfs/dbraw/zinc/88/11/83/351881183.db2.gz SEIIQEVHOQQFES-UHFFFAOYSA-N 0 0 135.210 2.480 10 30 AEEERN Cc1cc(F)c(C#N)cc1CC#N 259971013 351881717 /nfs/dbraw/zinc/88/17/17/351881717.db2.gz BYNMLRFAHVJHIK-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(Cl)cc([C@@H](N)C#N)c1 259965571 351881908 /nfs/dbraw/zinc/88/19/08/351881908.db2.gz JSVBDRPWEIGOIH-VIFPVBQESA-N 0 0 180.638 2.172 10 30 AEEERN Cc1cc(C2(C#N)CCC2)ccn1 259904470 351882054 /nfs/dbraw/zinc/88/20/54/351882054.db2.gz YMAWRWRDNVPJTA-UHFFFAOYSA-N 0 0 172.231 2.335 10 30 AEEERN N#CC1(C2CCCC2)CCOCC1 259941005 351882060 /nfs/dbraw/zinc/88/20/60/351882060.db2.gz BKTKMBFLQKFBAP-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN Cc1cc(N)cc(C#N)c1Cl 259928263 351882091 /nfs/dbraw/zinc/88/20/91/351882091.db2.gz BHHVJFAATLUVQQ-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1cc(Cl)cc([C@H](N)C#N)c1 259965568 351882097 /nfs/dbraw/zinc/88/20/97/351882097.db2.gz JSVBDRPWEIGOIH-SECBINFHSA-N 0 0 180.638 2.172 10 30 AEEERN CC(=O)c1cc(C#N)c(C)cc1F 260264478 351884060 /nfs/dbraw/zinc/88/40/60/351884060.db2.gz UYIBGKHIEYXKGR-UHFFFAOYSA-N 0 0 177.178 2.208 10 30 AEEERN Cc1cc(N)c(Cl)c(C#N)c1 259985041 351882463 /nfs/dbraw/zinc/88/24/63/351882463.db2.gz HNCZUSMXQXKBJN-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1ccc([C@@H](N)C#N)c(Cl)c1 259978790 351882730 /nfs/dbraw/zinc/88/27/30/351882730.db2.gz HCEVYFRTWVCPFP-VIFPVBQESA-N 0 0 180.638 2.172 10 30 AEEERN Cc1ccc([C@H](N)C#N)c(Cl)c1 259978778 351882764 /nfs/dbraw/zinc/88/27/64/351882764.db2.gz HCEVYFRTWVCPFP-SECBINFHSA-N 0 0 180.638 2.172 10 30 AEEERN Cc1c(F)cc(CC#N)cc1C#N 260099437 351883213 /nfs/dbraw/zinc/88/32/13/351883213.db2.gz KQVCMSOYRZZFQZ-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CC(=O)c1cc(C#N)c(F)cc1C 260039013 351882920 /nfs/dbraw/zinc/88/29/20/351882920.db2.gz HKTYIAWKNYZXAX-UHFFFAOYSA-N 0 0 177.178 2.208 10 30 AEEERN Cc1cc(F)c(CC#N)cc1C#N 260112743 351883280 /nfs/dbraw/zinc/88/32/80/351883280.db2.gz LGKBSPOLWFJRGD-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(C#N)cc(N)c1Cl 260161984 351883310 /nfs/dbraw/zinc/88/33/10/351883310.db2.gz SHEYRDVXHQDIRW-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN CC(=O)c1ccc(C#N)c(F)c1F 260148433 351883408 /nfs/dbraw/zinc/88/34/08/351883408.db2.gz NIHVPECZZURYFW-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN CSc1c(N)ccc(F)c1C#N 260180992 351883364 /nfs/dbraw/zinc/88/33/64/351883364.db2.gz UAHXYQYZULTCKI-UHFFFAOYSA-N 0 0 182.223 2.001 10 30 AEEERN N#C[C@]1(CC2CCCC2)CCCN1 260255953 351884008 /nfs/dbraw/zinc/88/40/08/351884008.db2.gz YSNPBHDSKMCHQQ-LLVKDONJSA-N 0 0 178.279 2.212 10 30 AEEERN N#C[C@]1(CC2CCC2)CCCCN1 260203970 351884015 /nfs/dbraw/zinc/88/40/15/351884015.db2.gz VQLSGCXOHXTFGN-LLVKDONJSA-N 0 0 178.279 2.212 10 30 AEEERN N#C[C@@]1(CC2CCCC2)CCCN1 260255957 351884094 /nfs/dbraw/zinc/88/40/94/351884094.db2.gz YSNPBHDSKMCHQQ-NSHDSACASA-N 0 0 178.279 2.212 10 30 AEEERN CC(=O)c1cc(F)c(C)c(C#N)c1 260273196 351884277 /nfs/dbraw/zinc/88/42/77/351884277.db2.gz VJWRHTCCGNXUFH-UHFFFAOYSA-N 0 0 177.178 2.208 10 30 AEEERN N#C[C@@]1(CC2CCC2)CCCCN1 260203974 351884285 /nfs/dbraw/zinc/88/42/85/351884285.db2.gz VQLSGCXOHXTFGN-NSHDSACASA-N 0 0 178.279 2.212 10 30 AEEERN N#CCc1nc([C@H]2CCCO2)cs1 260200821 351884387 /nfs/dbraw/zinc/88/43/87/351884387.db2.gz NFKDMJNKZNNJSO-MRVPVSSYSA-N 0 0 194.259 2.061 10 30 AEEERN CC(C)(C#N)N1CCC(F)(F)CC1 260342935 351884861 /nfs/dbraw/zinc/88/48/61/351884861.db2.gz VTYHQGWZSSZWSF-UHFFFAOYSA-N 0 0 188.221 2.020 10 30 AEEERN Cc1ccc([C@H](O)C2(C#N)CC2)cc1 260301680 351884818 /nfs/dbraw/zinc/88/48/18/351884818.db2.gz JIUPPIFEIYOXER-NSHDSACASA-N 0 0 187.242 2.332 10 30 AEEERN Cc1ccnc(C(F)(F)F)c1C#N 260287319 351884956 /nfs/dbraw/zinc/88/49/56/351884956.db2.gz VDKRUWDSOXXHSU-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN Cc1ccc([C@@H](O)C2(C#N)CC2)cc1 260301676 351884972 /nfs/dbraw/zinc/88/49/72/351884972.db2.gz JIUPPIFEIYOXER-LLVKDONJSA-N 0 0 187.242 2.332 10 30 AEEERN CC(=O)c1cc(F)c(F)c(C#N)c1 260326327 351884995 /nfs/dbraw/zinc/88/49/95/351884995.db2.gz YQCLSVTWDYHASC-UHFFFAOYSA-N 0 0 181.141 2.039 10 30 AEEERN COc1cc(C#N)c(C)cc1F 260794977 351885796 /nfs/dbraw/zinc/88/57/96/351885796.db2.gz AEAIJOHYJRGJCB-UHFFFAOYSA-N 0 0 165.167 2.014 10 30 AEEERN N#C[C@H](N)C1CCCCCCC1 260691309 351885884 /nfs/dbraw/zinc/88/58/84/351885884.db2.gz YBZZLTDGVVWLDN-JTQLQIEISA-N 0 0 166.268 2.198 10 30 AEEERN Cc1c(N)cc(Cl)cc1C#N 260622882 351885966 /nfs/dbraw/zinc/88/59/66/351885966.db2.gz SBOQAIIRBOGSFS-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN N#C[C@@H](N)C1CCCCCCC1 260691310 351886220 /nfs/dbraw/zinc/88/62/20/351886220.db2.gz YBZZLTDGVVWLDN-SNVBAGLBSA-N 0 0 166.268 2.198 10 30 AEEERN Cc1cc(C#N)ccc1CS 260840545 351886581 /nfs/dbraw/zinc/88/65/81/351886581.db2.gz RYFTYYRUWVWUMX-UHFFFAOYSA-N 0 0 163.245 2.297 10 30 AEEERN N#CC[C@]1(O)CCCC12CCCC2 260897399 351886648 /nfs/dbraw/zinc/88/66/48/351886648.db2.gz HMXSJQPFKWOWTR-LLVKDONJSA-N 0 0 179.263 2.375 10 30 AEEERN Cc1ccc(CS)cc1C#N 260824171 351886651 /nfs/dbraw/zinc/88/66/51/351886651.db2.gz PDNLPSFIJADUDO-UHFFFAOYSA-N 0 0 163.245 2.297 10 30 AEEERN N#CC[C@@]1(O)CCCC12CCCC2 260897402 351886761 /nfs/dbraw/zinc/88/67/61/351886761.db2.gz HMXSJQPFKWOWTR-NSHDSACASA-N 0 0 179.263 2.375 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1C(F)(F)F 260995432 351887263 /nfs/dbraw/zinc/88/72/63/351887263.db2.gz UYEPWFUXIPJIPM-WDSKDSINSA-N 0 0 163.142 2.489 10 30 AEEERN N#C[C@]1(N)CCCC12CCCCC2 260989427 351887300 /nfs/dbraw/zinc/88/73/00/351887300.db2.gz YSEWMHREQDSNDY-LLVKDONJSA-N 0 0 178.279 2.342 10 30 AEEERN N#C[C@@]1(N)CCCC12CCCCC2 260989429 351887558 /nfs/dbraw/zinc/88/75/58/351887558.db2.gz YSEWMHREQDSNDY-NSHDSACASA-N 0 0 178.279 2.342 10 30 AEEERN N#C[C@]1(N)CCCCC12CCCC2 260962537 351887378 /nfs/dbraw/zinc/88/73/78/351887378.db2.gz RHZGQHHLPRJTIW-LLVKDONJSA-N 0 0 178.279 2.342 10 30 AEEERN N#C[C@@H]1CCC[C@H]1C(F)(F)F 260995429 351887580 /nfs/dbraw/zinc/88/75/80/351887580.db2.gz UYEPWFUXIPJIPM-NTSWFWBYSA-N 0 0 163.142 2.489 10 30 AEEERN C[C@H](C1CCCCC1)[C@H](N)C#N 260946940 351887586 /nfs/dbraw/zinc/88/75/86/351887586.db2.gz OQODVCGUHKZTAN-PSASIEDQSA-N 0 0 166.268 2.054 10 30 AEEERN N#C[C@H]1CCC[C@H]1C(F)(F)F 260995430 351887655 /nfs/dbraw/zinc/88/76/55/351887655.db2.gz UYEPWFUXIPJIPM-PHDIDXHHSA-N 0 0 163.142 2.489 10 30 AEEERN N#C[C@H]1CCC[C@@H]1C(F)(F)F 260995431 351887667 /nfs/dbraw/zinc/88/76/67/351887667.db2.gz UYEPWFUXIPJIPM-RITPCOANSA-N 0 0 163.142 2.489 10 30 AEEERN C[C@H](C1CCCCC1)[C@@H](N)C#N 260946941 351887765 /nfs/dbraw/zinc/88/77/65/351887765.db2.gz OQODVCGUHKZTAN-SCZZXKLOSA-N 0 0 166.268 2.054 10 30 AEEERN C[C@@H](C1CCCCC1)[C@H](N)C#N 260946942 351887811 /nfs/dbraw/zinc/88/78/11/351887811.db2.gz OQODVCGUHKZTAN-WCBMZHEXSA-N 0 0 166.268 2.054 10 30 AEEERN N#C[C@@]1(N)CCCCC12CCCC2 260962542 351887827 /nfs/dbraw/zinc/88/78/27/351887827.db2.gz RHZGQHHLPRJTIW-NSHDSACASA-N 0 0 178.279 2.342 10 30 AEEERN CC(C)(C#N)CC1CCC(O)CC1 261035573 351888141 /nfs/dbraw/zinc/88/81/41/351888141.db2.gz BQGBLUFXVRNHJN-UHFFFAOYSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)[C@@]1(C#N)CCCS1 261124269 351888786 /nfs/dbraw/zinc/88/87/86/351888786.db2.gz JMUGECFEDOVSCV-QMMMGPOBSA-N 0 0 155.266 2.432 10 30 AEEERN CC(C)[C@]1(C#N)CCCS1 261124268 351888906 /nfs/dbraw/zinc/88/89/06/351888906.db2.gz JMUGECFEDOVSCV-MRVPVSSYSA-N 0 0 155.266 2.432 10 30 AEEERN Cc1ncc([C@H](O)C(C)(C)C#N)s1 261152576 351889632 /nfs/dbraw/zinc/88/96/32/351889632.db2.gz UICZAXOTHBAVKE-QMMMGPOBSA-N 0 0 196.275 2.035 10 30 AEEERN CC(C)(C#N)C[C@H]1CCC[C@@H](O)C1 261159776 351889678 /nfs/dbraw/zinc/88/96/78/351889678.db2.gz VVBPLKFMDAHHOR-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)C[C@H]1CCC[C@H](O)C1 261159775 351889721 /nfs/dbraw/zinc/88/97/21/351889721.db2.gz VVBPLKFMDAHHOR-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)(C#N)C[C@@H]1CCC[C@H](O)C1 261159777 351889730 /nfs/dbraw/zinc/88/97/30/351889730.db2.gz VVBPLKFMDAHHOR-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ncc([C@@H](O)C(C)(C)C#N)s1 261152575 351889793 /nfs/dbraw/zinc/88/97/93/351889793.db2.gz UICZAXOTHBAVKE-MRVPVSSYSA-N 0 0 196.275 2.035 10 30 AEEERN CC(C)(C#N)C[C@@H]1CCC[C@@H](O)C1 261159774 351889802 /nfs/dbraw/zinc/88/98/02/351889802.db2.gz VVBPLKFMDAHHOR-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)O[C@@H](C#N)C1CCCC1 261176284 351890201 /nfs/dbraw/zinc/89/02/01/351890201.db2.gz HRACURPAXJHBMZ-JTQLQIEISA-N 0 0 167.252 2.494 10 30 AEEERN N#CC[C@H](O)c1ccsc1Cl 261242190 351890255 /nfs/dbraw/zinc/89/02/55/351890255.db2.gz BTZCIASJJBVLOM-LURJTMIESA-N 0 0 187.651 2.349 10 30 AEEERN Cc1cnccc1C1(C#N)CCC1 261241047 351890291 /nfs/dbraw/zinc/89/02/91/351890291.db2.gz BEVIDYAEGSRMBB-UHFFFAOYSA-N 0 0 172.231 2.335 10 30 AEEERN Cc1ccc(F)c(C#N)c1C 261168043 351890360 /nfs/dbraw/zinc/89/03/60/351890360.db2.gz XYGSTLMWFPWEGO-UHFFFAOYSA-N 0 0 149.168 2.314 10 30 AEEERN N#CC1(CCO)CCCCCC1 261167172 351890437 /nfs/dbraw/zinc/89/04/37/351890437.db2.gz XTLFVVAKAPETFI-UHFFFAOYSA-N 0 0 167.252 2.233 10 30 AEEERN N#C[C@]1(CC(F)F)CCCS1 261262370 351890440 /nfs/dbraw/zinc/89/04/40/351890440.db2.gz FVEQPFZEZSGJBL-SSDOTTSWSA-N 0 0 177.219 2.431 10 30 AEEERN Cc1cccnc1C1(C#N)CCC1 261262758 351890529 /nfs/dbraw/zinc/89/05/29/351890529.db2.gz LMUDRWQSABRABV-UHFFFAOYSA-N 0 0 172.231 2.335 10 30 AEEERN CC(C)O[C@H](C#N)C1CCCC1 261176289 351890545 /nfs/dbraw/zinc/89/05/45/351890545.db2.gz HRACURPAXJHBMZ-SNVBAGLBSA-N 0 0 167.252 2.494 10 30 AEEERN N#CC[C@@H](O)c1ccsc1Cl 261242192 351890561 /nfs/dbraw/zinc/89/05/61/351890561.db2.gz BTZCIASJJBVLOM-ZCFIWIBFSA-N 0 0 187.651 2.349 10 30 AEEERN N#C[C@@]1(CC(F)F)CCCS1 261262371 351890576 /nfs/dbraw/zinc/89/05/76/351890576.db2.gz FVEQPFZEZSGJBL-ZETCQYMHSA-N 0 0 177.219 2.431 10 30 AEEERN Cc1sc(CC#N)nc1C1CC1 261301194 351891039 /nfs/dbraw/zinc/89/10/39/351891039.db2.gz QPCMDJCBVPENFE-UHFFFAOYSA-N 0 0 178.260 2.395 10 30 AEEERN N#CC[C@H](O)c1sccc1Cl 261285597 351891042 /nfs/dbraw/zinc/89/10/42/351891042.db2.gz XIEZCVHEYJZHMX-LURJTMIESA-N 0 0 187.651 2.349 10 30 AEEERN N#CC1(CC(F)F)CCC1 261318801 351891158 /nfs/dbraw/zinc/89/11/58/351891158.db2.gz GFCRVGPJYKISFX-UHFFFAOYSA-N 0 0 145.152 2.335 10 30 AEEERN N#CC[C@@H](O)c1sccc1Cl 261285599 351891218 /nfs/dbraw/zinc/89/12/18/351891218.db2.gz XIEZCVHEYJZHMX-ZCFIWIBFSA-N 0 0 187.651 2.349 10 30 AEEERN N#Cc1ccn(C2CCCCC2)n1 261332619 351891522 /nfs/dbraw/zinc/89/15/22/351891522.db2.gz WMCIGLOFNQMWLR-UHFFFAOYSA-N 0 0 175.235 2.260 10 30 AEEERN C#CC(Br)=C1CCC1 306120558 351899345 /nfs/dbraw/zinc/89/93/45/351899345.db2.gz GFEGBSBKKOWIIT-UHFFFAOYSA-N 0 0 171.037 2.453 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1ccnc(C#N)c1 306152605 351900370 /nfs/dbraw/zinc/90/03/70/351900370.db2.gz AHVDPLWQQLKUHN-LDYMZIIASA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@]1(C=O)CC[C@@H](c2ccco2)O1 306156634 351901848 /nfs/dbraw/zinc/90/18/48/351901848.db2.gz DPVUKROHIHRKHG-UWVGGRQHSA-N 0 0 180.203 2.089 10 30 AEEERN C[C@]1(C=O)CC[C@@H](c2ccco2)O1 306156636 351902129 /nfs/dbraw/zinc/90/21/29/351902129.db2.gz DPVUKROHIHRKHG-VHSXEESVSA-N 0 0 180.203 2.089 10 30 AEEERN C[C@]1(C=O)CC[C@H](c2ccco2)O1 306156633 351902162 /nfs/dbraw/zinc/90/21/62/351902162.db2.gz DPVUKROHIHRKHG-NXEZZACHSA-N 0 0 180.203 2.089 10 30 AEEERN C[C@@]1(C=O)CC[C@H](c2ccco2)O1 306156638 351902295 /nfs/dbraw/zinc/90/22/95/351902295.db2.gz DPVUKROHIHRKHG-ZJUUUORDSA-N 0 0 180.203 2.089 10 30 AEEERN C/C=C/C(=O)c1cccc(O)c1 306157733 351902545 /nfs/dbraw/zinc/90/25/45/351902545.db2.gz ODJJZOOBJMJVRK-DUXPYHPUSA-N 0 0 162.188 2.151 10 30 AEEERN CC#CCC1=CC(=O)C[C@H](C)C1 306157868 351902624 /nfs/dbraw/zinc/90/26/24/351902624.db2.gz ABRIYWHDSNDWGZ-SECBINFHSA-N 0 0 162.232 2.325 10 30 AEEERN Clc1cncc(N=NC2CCC2)n1 306157863 351902731 /nfs/dbraw/zinc/90/27/31/351902731.db2.gz ABJAOMPKJDREQO-UHFFFAOYSA-N 0 0 196.641 2.082 10 30 AEEERN CC#CCC1=CC(=O)C[C@@H](C)C1 306157869 351902931 /nfs/dbraw/zinc/90/29/31/351902931.db2.gz ABRIYWHDSNDWGZ-VIFPVBQESA-N 0 0 162.232 2.325 10 30 AEEERN CC(C)(C)C[C@@H]1CCCN1CC#N 306160420 351903215 /nfs/dbraw/zinc/90/32/15/351903215.db2.gz PBWBCYMTJPCKFZ-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)C[C@H]1CCCN1CC#N 306160427 351903424 /nfs/dbraw/zinc/90/34/24/351903424.db2.gz PBWBCYMTJPCKFZ-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1ccc(SCCC#N)nc1 306166610 351903982 /nfs/dbraw/zinc/90/39/82/351903982.db2.gz HXVGDTMQLMXBLZ-UHFFFAOYSA-N 0 0 178.260 2.396 10 30 AEEERN CC(C)C[C@@H]1CCCCN1CC#N 306188188 351905955 /nfs/dbraw/zinc/90/59/55/351905955.db2.gz CIVWCZNLWUNPBX-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)C[C@H]1CCCCN1CC#N 306188186 351906137 /nfs/dbraw/zinc/90/61/37/351906137.db2.gz CIVWCZNLWUNPBX-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@]1(C)CCN(C(C)(C)C#N)C1 306203479 351906510 /nfs/dbraw/zinc/90/65/10/351906510.db2.gz CMHNGOFXAAPHIH-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@]1(C)CCN(C(C)(C)C#N)C1 306203478 351906611 /nfs/dbraw/zinc/90/66/11/351906611.db2.gz CMHNGOFXAAPHIH-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@H](C#N)S[C@H]1CCCOC1 306205542 351907222 /nfs/dbraw/zinc/90/72/22/351907222.db2.gz GOSPUVIDDPCGHO-IUCAKERBSA-N 0 0 185.292 2.201 10 30 AEEERN CC[C@H](C#N)S[C@H]1CCCOC1 306205537 351907212 /nfs/dbraw/zinc/90/72/12/351907212.db2.gz GOSPUVIDDPCGHO-BDAKNGLRSA-N 0 0 185.292 2.201 10 30 AEEERN CC[C@@H](C#N)S[C@@H]1CCCOC1 306205540 351907221 /nfs/dbraw/zinc/90/72/21/351907221.db2.gz GOSPUVIDDPCGHO-DTWKUNHWSA-N 0 0 185.292 2.201 10 30 AEEERN CC[C@H](C#N)S[C@@H]1CCCOC1 306205545 351907257 /nfs/dbraw/zinc/90/72/57/351907257.db2.gz GOSPUVIDDPCGHO-RKDXNWHRSA-N 0 0 185.292 2.201 10 30 AEEERN CC[C@@H]1CC[C@H](C)N(CC#N)C1 306213143 351908106 /nfs/dbraw/zinc/90/81/06/351908106.db2.gz LAZRBUAJJACSQN-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1cccnc1C#N 306218254 351908621 /nfs/dbraw/zinc/90/86/21/351908621.db2.gz FEWAVJXGRDMEKN-BDAKNGLRSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1cccnc1C#N 306218257 351908633 /nfs/dbraw/zinc/90/86/33/351908633.db2.gz FEWAVJXGRDMEKN-RKDXNWHRSA-N 0 0 187.246 2.164 10 30 AEEERN C=CC(=O)c1ccc(OC)s1 306221217 351909202 /nfs/dbraw/zinc/90/92/02/351909202.db2.gz PINGTNBIMNISLG-UHFFFAOYSA-N 0 0 168.217 2.125 10 30 AEEERN C[C@H](NCC#N)c1ccc(F)c(F)c1 306224550 351909893 /nfs/dbraw/zinc/90/98/93/351909893.db2.gz UGJCQDGHCXEPSI-ZETCQYMHSA-N 0 0 196.200 2.139 10 30 AEEERN C[C@@H](C#N)N1CCCC[C@@H](C)C1 306242821 351912316 /nfs/dbraw/zinc/91/23/16/351912316.db2.gz MCZDQDKFUYZSTK-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1ccc(C#N)nc1 306231441 351911193 /nfs/dbraw/zinc/91/11/93/351911193.db2.gz DQVSWTRKQFLABE-KCJUWKMLSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1ccc(C#N)nc1 306231461 351911371 /nfs/dbraw/zinc/91/13/71/351911371.db2.gz DQVSWTRKQFLABE-LDYMZIIASA-N 0 0 187.246 2.164 10 30 AEEERN C[C@H]1CCCCN([C@@H](C)C#N)C1 306242819 351912236 /nfs/dbraw/zinc/91/22/36/351912236.db2.gz MCZDQDKFUYZSTK-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@H]1CCCCN([C@H](C)C#N)C1 306242818 351912279 /nfs/dbraw/zinc/91/22/79/351912279.db2.gz MCZDQDKFUYZSTK-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@H]1CCCCN([C@H](C)C#N)C1 306242820 351912352 /nfs/dbraw/zinc/91/23/52/351912352.db2.gz MCZDQDKFUYZSTK-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN C=C(C)CCn1ccc(C#N)c1 306247518 351912416 /nfs/dbraw/zinc/91/24/16/351912416.db2.gz PCPRRNXEEHKXNF-UHFFFAOYSA-N 0 0 160.220 2.326 10 30 AEEERN C=C[C@@H](C)Nc1ccc(C)c(C#N)n1 306252350 351912899 /nfs/dbraw/zinc/91/28/99/351912899.db2.gz VBSCPEYTWPNZGL-SECBINFHSA-N 0 0 187.246 2.248 10 30 AEEERN C=C[C@H](C)Nc1ccc(C)c(C#N)n1 306252352 351912924 /nfs/dbraw/zinc/91/29/24/351912924.db2.gz VBSCPEYTWPNZGL-VIFPVBQESA-N 0 0 187.246 2.248 10 30 AEEERN Cc1ccc([C@@H](C)NCC#N)c(C)c1 306277966 351914485 /nfs/dbraw/zinc/91/44/85/351914485.db2.gz GGPXZUBJLURQND-LLVKDONJSA-N 0 0 188.274 2.478 10 30 AEEERN Cc1ccc([C@H](C)NCC#N)c(C)c1 306277967 351914622 /nfs/dbraw/zinc/91/46/22/351914622.db2.gz GGPXZUBJLURQND-NSHDSACASA-N 0 0 188.274 2.478 10 30 AEEERN C=CCCSC[C@H](C)OC 306278671 351915267 /nfs/dbraw/zinc/91/52/67/351915267.db2.gz GUUCYYSZSNCREY-QMMMGPOBSA-N 0 0 160.282 2.331 10 30 AEEERN C/C=C/C(=O)c1cccc(F)c1C#N 306278655 351915278 /nfs/dbraw/zinc/91/52/78/351915278.db2.gz GRSSOPOROVWTRK-DUXPYHPUSA-N 0 0 189.189 2.456 10 30 AEEERN C=CCCSC[C@@H](C)OC 306278670 351915357 /nfs/dbraw/zinc/91/53/57/351915357.db2.gz GUUCYYSZSNCREY-MRVPVSSYSA-N 0 0 160.282 2.331 10 30 AEEERN CC#CCNc1ncc(Cl)s1 306287011 351916263 /nfs/dbraw/zinc/91/62/63/351916263.db2.gz YOKJMZURKPBDGM-UHFFFAOYSA-N 0 0 186.667 2.232 10 30 AEEERN C=C(C)CSc1nncs1 306306519 351918561 /nfs/dbraw/zinc/91/85/61/351918561.db2.gz FHALLBJKDOIDMQ-UHFFFAOYSA-N 0 0 172.278 2.206 10 30 AEEERN CC(C)[C@@H]1CCN(C(C)(C)C#N)C1 306319671 351919986 /nfs/dbraw/zinc/91/99/86/351919986.db2.gz SNPQKWVVIQHREJ-SNVBAGLBSA-N 0 0 180.295 2.266 10 30 AEEERN CC(C)[C@H]1CCN(C(C)(C)C#N)C1 306319669 351920017 /nfs/dbraw/zinc/92/00/17/351920017.db2.gz SNPQKWVVIQHREJ-JTQLQIEISA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@@H](C)Nc1ccc(C)c(C#N)n1 306344313 351921677 /nfs/dbraw/zinc/92/16/77/351921677.db2.gz DHTZKPLNCHYFNF-SECBINFHSA-N 0 0 189.262 2.472 10 30 AEEERN C=CCNC(=O)Nc1ccc(C)s1 306372230 351924257 /nfs/dbraw/zinc/92/42/57/351924257.db2.gz HXSZYNQIQVBDPR-UHFFFAOYSA-N 0 0 196.275 2.364 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1cnccc1C#N 306383467 351924980 /nfs/dbraw/zinc/92/49/80/351924980.db2.gz YREVAUCIMHZQLO-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1cnccc1C#N 306383466 351925088 /nfs/dbraw/zinc/92/50/88/351925088.db2.gz YREVAUCIMHZQLO-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN C=C[C@H](C)c1noc(C2CC2)n1 306449717 351932094 /nfs/dbraw/zinc/93/20/94/351932094.db2.gz NEVPOFSHCNLMOS-LURJTMIESA-N 0 0 164.208 2.237 10 30 AEEERN C=C[C@@H](C)c1noc(C2CC2)n1 306449718 351932119 /nfs/dbraw/zinc/93/21/19/351932119.db2.gz NEVPOFSHCNLMOS-ZCFIWIBFSA-N 0 0 164.208 2.237 10 30 AEEERN C=C(c1ncccc1O)C(F)(F)F 306452526 351932539 /nfs/dbraw/zinc/93/25/39/351932539.db2.gz GYOKWDJPOJIHGP-UHFFFAOYSA-N 0 0 189.136 2.363 10 30 AEEERN C=CCSC1CCOCC1 306479510 351935437 /nfs/dbraw/zinc/93/54/37/351935437.db2.gz KBKWLAJTEMFTFJ-UHFFFAOYSA-N 0 0 158.266 2.085 10 30 AEEERN C=C(C)COc1ccc(C)nc1 306488952 351936561 /nfs/dbraw/zinc/93/65/61/351936561.db2.gz LHENPQJQSIPPOP-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN C#CC(=O)c1cc(F)ccc1Cl 306492764 351937762 /nfs/dbraw/zinc/93/77/62/351937762.db2.gz RHGQJQCUUKCNRP-UHFFFAOYSA-N 0 0 182.581 2.295 10 30 AEEERN C[C@@H](C#N)N1CC2(CCC2)C[C@@H]1C 306504086 351939170 /nfs/dbraw/zinc/93/91/70/351939170.db2.gz QMFGKEHBLYXXTE-UWVGGRQHSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@@H](C#N)N1CC2(CCC2)C[C@H]1C 306504088 351939191 /nfs/dbraw/zinc/93/91/91/351939191.db2.gz QMFGKEHBLYXXTE-ZJUUUORDSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@H](C#N)N1CC2(CCC2)C[C@H]1C 306504085 351939369 /nfs/dbraw/zinc/93/93/69/351939369.db2.gz QMFGKEHBLYXXTE-NXEZZACHSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@H]1CC2(CCC2)CN1[C@H](C)C#N 306504087 351939382 /nfs/dbraw/zinc/93/93/82/351939382.db2.gz QMFGKEHBLYXXTE-VHSXEESVSA-N 0 0 178.279 2.163 10 30 AEEERN CC(C)(C#N)N1C[C@H]2CCC[C@H]2C1 306506726 351939877 /nfs/dbraw/zinc/93/98/77/351939877.db2.gz WBOFPKRNRVPHQD-AOOOYVTPSA-N 0 0 178.279 2.020 10 30 AEEERN CC(C)(C#N)N1C[C@H]2CCC[C@@H]2C1 306506727 351939900 /nfs/dbraw/zinc/93/99/00/351939900.db2.gz WBOFPKRNRVPHQD-NXEZZACHSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@@H]1C[C@@H](C)CN(C(C)(C)C#N)C1 306508467 351940240 /nfs/dbraw/zinc/94/02/40/351940240.db2.gz AQYPPOLGLRAUBH-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN O=CC(C1CCC1)C1CCC1 306508035 351940274 /nfs/dbraw/zinc/94/02/74/351940274.db2.gz AAGJQBYFDXYEQF-UHFFFAOYSA-N 0 0 152.237 2.402 10 30 AEEERN Cc1ccc([C@H](C)NCC#N)cc1C 306532500 351942374 /nfs/dbraw/zinc/94/23/74/351942374.db2.gz GMVLFXOHVVFLRY-NSHDSACASA-N 0 0 188.274 2.478 10 30 AEEERN C=CCCn1cc(Cl)cn1 306514588 351940893 /nfs/dbraw/zinc/94/08/93/351940893.db2.gz APGWNRIHBIDJGS-UHFFFAOYSA-N 0 0 156.616 2.113 10 30 AEEERN C=CCC1(c2nc(C)no2)CCC1 306513915 351940962 /nfs/dbraw/zinc/94/09/62/351940962.db2.gz BCFHHXQWLPAPPW-UHFFFAOYSA-N 0 0 178.235 2.376 10 30 AEEERN C[C@@H](C#N)N1C[C@H](C)CC(C)(C)C1 306539412 351942742 /nfs/dbraw/zinc/94/27/42/351942742.db2.gz NGEABANZKJUPMA-ZJUUUORDSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H]1CN([C@H](C)C#N)CC(C)(C)C1 306539411 351942805 /nfs/dbraw/zinc/94/28/05/351942805.db2.gz NGEABANZKJUPMA-VHSXEESVSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CN([C@H](C)C#N)CC(C)(C)C1 306539409 351942879 /nfs/dbraw/zinc/94/28/79/351942879.db2.gz NGEABANZKJUPMA-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H]1CN([C@@H](C)C#N)CC(C)(C)C1 306539410 351942888 /nfs/dbraw/zinc/94/28/88/351942888.db2.gz NGEABANZKJUPMA-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN CCC[C@@H]1[C@@H](C)CCCN1CC#N 306549249 351944943 /nfs/dbraw/zinc/94/49/43/351944943.db2.gz GVYYVXIFOUGCMA-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H]1[C@H](C)CCCN1CC#N 306549247 351944998 /nfs/dbraw/zinc/94/49/98/351944998.db2.gz GVYYVXIFOUGCMA-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@@H]1[C@H](C)CCCN1CC#N 306549246 351945048 /nfs/dbraw/zinc/94/50/48/351945048.db2.gz GVYYVXIFOUGCMA-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CCC[C@H]1[C@@H](C)CCCN1CC#N 306549248 351945122 /nfs/dbraw/zinc/94/51/22/351945122.db2.gz GVYYVXIFOUGCMA-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN C=C(C)CNc1nc(C)nc(C)c1F 306558417 351945958 /nfs/dbraw/zinc/94/59/58/351945958.db2.gz PFBULMBHOLWSKK-UHFFFAOYSA-N 0 0 195.241 2.221 10 30 AEEERN CCN(CC#N)[C@@H]1CC[C@@H](C)C1 306600493 351949648 /nfs/dbraw/zinc/94/96/48/351949648.db2.gz JHWDCPKKQIOCPS-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN CCN(CC#N)[C@H]1CC[C@@H](C)C1 306600496 351949840 /nfs/dbraw/zinc/94/98/40/351949840.db2.gz JHWDCPKKQIOCPS-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN CCN(CC#N)[C@@H]1CC[C@H](C)C1 306600495 351949858 /nfs/dbraw/zinc/94/98/58/351949858.db2.gz JHWDCPKKQIOCPS-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CCN(CC#N)[C@H]1CC[C@H](C)C1 306600494 351949917 /nfs/dbraw/zinc/94/99/17/351949917.db2.gz JHWDCPKKQIOCPS-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN C=C[C@@H](C)NC(=O)C1=C(C)CCC1 306622879 351951744 /nfs/dbraw/zinc/95/17/44/351951744.db2.gz DGFODWCSAZZVGG-SECBINFHSA-N 0 0 179.263 2.178 10 30 AEEERN C=C[C@H](C)NC(=O)C1=C(C)CCC1 306622885 351951861 /nfs/dbraw/zinc/95/18/61/351951861.db2.gz DGFODWCSAZZVGG-VIFPVBQESA-N 0 0 179.263 2.178 10 30 AEEERN C[C@H](C#N)N1CC[C@@H](C)C(C)(C)C1 306645000 351952912 /nfs/dbraw/zinc/95/29/12/351952912.db2.gz BDDJXUSYZLIOGQ-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN C=CCn1cnc2c1C[C@H](C)[C@H](C)C2 306638844 351952968 /nfs/dbraw/zinc/95/29/68/351952968.db2.gz CCYNHBYVIWSIJK-ZJUUUORDSA-N 0 0 190.290 2.440 10 30 AEEERN CC[C@@H]1CCCN(C(C)(C)C#N)C1 306646569 351952991 /nfs/dbraw/zinc/95/29/91/351952991.db2.gz CZTCFTRNOHBAKY-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H](C#N)N1CC[C@H](C)C(C)(C)C1 306645010 351953021 /nfs/dbraw/zinc/95/30/21/351953021.db2.gz BDDJXUSYZLIOGQ-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN C=CCn1cnc2c1C[C@@H](C)[C@@H](C)C2 306638843 351953040 /nfs/dbraw/zinc/95/30/40/351953040.db2.gz CCYNHBYVIWSIJK-VHSXEESVSA-N 0 0 190.290 2.440 10 30 AEEERN C=CCn1cnc2c1C[C@@H](C)[C@H](C)C2 306638841 351953043 /nfs/dbraw/zinc/95/30/43/351953043.db2.gz CCYNHBYVIWSIJK-NXEZZACHSA-N 0 0 190.290 2.440 10 30 AEEERN C=CCn1cnc2c1C[C@H](C)[C@@H](C)C2 306638842 351953052 /nfs/dbraw/zinc/95/30/52/351953052.db2.gz CCYNHBYVIWSIJK-UWVGGRQHSA-N 0 0 190.290 2.440 10 30 AEEERN C[C@@H](C#N)N1CC[C@@H](C)C(C)(C)C1 306645027 351953069 /nfs/dbraw/zinc/95/30/69/351953069.db2.gz BDDJXUSYZLIOGQ-ZJUUUORDSA-N 0 0 180.295 2.266 10 30 AEEERN C=C(C)CSc1ncc(C)cn1 306699025 351956917 /nfs/dbraw/zinc/95/69/17/351956917.db2.gz DVDMBZHYEXCZTK-UHFFFAOYSA-N 0 0 180.276 2.453 10 30 AEEERN C[C@@H](NCC#N)c1ccc(F)c(F)c1 306694928 351957089 /nfs/dbraw/zinc/95/70/89/351957089.db2.gz UGJCQDGHCXEPSI-SSDOTTSWSA-N 0 0 196.200 2.139 10 30 AEEERN CCOc1nc(Cl)c(C#N)s1 306740763 351960098 /nfs/dbraw/zinc/96/00/98/351960098.db2.gz CRJDTXGUAXAQCI-UHFFFAOYSA-N 0 0 188.639 2.067 10 30 AEEERN C=C[C@H](C)Nc1nc(C)nc(C)c1F 306752026 351961518 /nfs/dbraw/zinc/96/15/18/351961518.db2.gz IHVFRMOQYKGXRP-LURJTMIESA-N 0 0 195.241 2.219 10 30 AEEERN C=C[C@@H](C)Nc1nc(C)nc(C)c1F 306752028 351961524 /nfs/dbraw/zinc/96/15/24/351961524.db2.gz IHVFRMOQYKGXRP-ZCFIWIBFSA-N 0 0 195.241 2.219 10 30 AEEERN C[C@H]([C@@H](C)O)C1(C#N)CCCCC1 306756097 351962775 /nfs/dbraw/zinc/96/27/75/351962775.db2.gz LRMDFVHSYCNLHN-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](O)[C@H](C)C1(C#N)CCCCC1 306756100 351962898 /nfs/dbraw/zinc/96/28/98/351962898.db2.gz LRMDFVHSYCNLHN-UWVGGRQHSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](O)[C@H](C)C1(C#N)CCCCC1 306756102 351963019 /nfs/dbraw/zinc/96/30/19/351963019.db2.gz LRMDFVHSYCNLHN-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](O)[C@@H](C)C1(C#N)CCCCC1 306756106 351963055 /nfs/dbraw/zinc/96/30/55/351963055.db2.gz LRMDFVHSYCNLHN-ZJUUUORDSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C1CCCCC1)N(C)CC#N 306784231 351964424 /nfs/dbraw/zinc/96/44/24/351964424.db2.gz HJKBPSFLKHMQBL-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C=C(C)CS[C@H]1CCO[C@@H]1C 307258285 351999164 /nfs/dbraw/zinc/99/91/64/351999164.db2.gz CSXWTWYCFZXTOX-BDAKNGLRSA-N 0 0 172.293 2.473 10 30 AEEERN C=C(C)CSc1cccnn1 306954686 351977313 /nfs/dbraw/zinc/97/73/13/351977313.db2.gz OSHRIRWTVSWEEA-UHFFFAOYSA-N 0 0 166.249 2.145 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1cccc(C#N)n1 307015343 351981136 /nfs/dbraw/zinc/98/11/36/351981136.db2.gz UBRATKNGAFGWEF-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1cccc(C#N)n1 307015344 351981171 /nfs/dbraw/zinc/98/11/71/351981171.db2.gz UBRATKNGAFGWEF-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CCCN(C(C)(C)C#N)CC1 307032035 351982366 /nfs/dbraw/zinc/98/23/66/351982366.db2.gz KNIZEXGNMSKDOY-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H]1CCCN(C(C)(C)C#N)CC1 307032034 351982392 /nfs/dbraw/zinc/98/23/92/351982392.db2.gz KNIZEXGNMSKDOY-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1cc(C#N)ccn1 307038321 351982868 /nfs/dbraw/zinc/98/28/68/351982868.db2.gz GYRBNKCHJTVIMN-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1cc(C#N)ccn1 307038322 351983002 /nfs/dbraw/zinc/98/30/02/351983002.db2.gz GYRBNKCHJTVIMN-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN N#CCSc1cccc([N+](=O)[O-])c1 307047538 351983175 /nfs/dbraw/zinc/98/31/75/351983175.db2.gz FNZCUJMICCKAIE-UHFFFAOYSA-N 0 0 194.215 2.210 10 30 AEEERN C[C@@H](C#N)N1CCC[C@H](C2CC2)C1 307144582 351989894 /nfs/dbraw/zinc/98/98/94/351989894.db2.gz FWUIYWLQTNACAY-ONGXEEELSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@H](C#N)N1CCC[C@@H](C2CC2)C1 307144179 351990057 /nfs/dbraw/zinc/99/00/57/351990057.db2.gz FWUIYWLQTNACAY-MWLCHTKSSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@@H](C#N)N1CCC[C@@H](C2CC2)C1 307144174 351990103 /nfs/dbraw/zinc/99/01/03/351990103.db2.gz FWUIYWLQTNACAY-GXSJLCMTSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@H](C#N)N1CCC[C@H](C2CC2)C1 307144176 351990214 /nfs/dbraw/zinc/99/02/14/351990214.db2.gz FWUIYWLQTNACAY-KOLCDFICSA-N 0 0 178.279 2.020 10 30 AEEERN CC#CCSc1ccc(C#N)cn1 307199769 351993952 /nfs/dbraw/zinc/99/39/52/351993952.db2.gz CWOFEPVBQPCGOK-UHFFFAOYSA-N 0 0 188.255 2.069 10 30 AEEERN CCNc1ncc(CC#N)cc1Cl 307213498 351996166 /nfs/dbraw/zinc/99/61/66/351996166.db2.gz XUKZRKYTHBJSDW-UHFFFAOYSA-N 0 0 195.653 2.233 10 30 AEEERN C=C(C)CS[C@@H]1CCO[C@H]1C 307258693 351999142 /nfs/dbraw/zinc/99/91/42/351999142.db2.gz CSXWTWYCFZXTOX-DTWKUNHWSA-N 0 0 172.293 2.473 10 30 AEEERN C=C(CC)Cn1cc(C#N)c(C)n1 307334607 352004097 /nfs/dbraw/zinc/00/40/97/352004097.db2.gz AZIIUPSVOOSKPB-UHFFFAOYSA-N 0 0 175.235 2.029 10 30 AEEERN C[C@@H]1CCCCN(C(C)(C)C#N)C1 307409820 352010598 /nfs/dbraw/zinc/01/05/98/352010598.db2.gz NVHONLJTNJGIRS-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H]1CCCCN(C(C)(C)C#N)C1 307409819 352010679 /nfs/dbraw/zinc/01/06/79/352010679.db2.gz NVHONLJTNJGIRS-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H](C1CCCCC1)N(C)CC#N 307413571 352011412 /nfs/dbraw/zinc/01/14/12/352011412.db2.gz HJKBPSFLKHMQBL-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C=C[C@@H](C)NC(=O)c1sccc1F 307466358 352015336 /nfs/dbraw/zinc/01/53/36/352015336.db2.gz KAPJXLCQKGHRLU-ZCFIWIBFSA-N 0 0 199.250 2.192 10 30 AEEERN CC[C@]1(C)CCCN([C@H](C)C#N)C1 307528652 352019995 /nfs/dbraw/zinc/01/99/95/352019995.db2.gz TVQZNVUSISNQAK-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@]1(C)CCCN([C@H](C)C#N)C1 307528658 352020152 /nfs/dbraw/zinc/02/01/52/352020152.db2.gz TVQZNVUSISNQAK-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@]1(C)CCCN([C@@H](C)C#N)C1 307528669 352020183 /nfs/dbraw/zinc/02/01/83/352020183.db2.gz TVQZNVUSISNQAK-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@@]1(C)CCCN([C@@H](C)C#N)C1 307528663 352020201 /nfs/dbraw/zinc/02/02/01/352020201.db2.gz TVQZNVUSISNQAK-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN CC1=C[C@@H](C)CN(C(C)(C)C#N)C1 307545634 352021335 /nfs/dbraw/zinc/02/13/35/352021335.db2.gz YAYQMACDTWHNJA-SECBINFHSA-N 0 0 178.279 2.187 10 30 AEEERN CC1=C[C@H](C)CN(C(C)(C)C#N)C1 307545636 352021356 /nfs/dbraw/zinc/02/13/56/352021356.db2.gz YAYQMACDTWHNJA-VIFPVBQESA-N 0 0 178.279 2.187 10 30 AEEERN CC1=C(C)CN(C(C)(C)C#N)CC1 307543603 352021472 /nfs/dbraw/zinc/02/14/72/352021472.db2.gz UZNBPYRHQFJRPP-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN C=CCNc1cccc2c1CCO2 307564498 352022330 /nfs/dbraw/zinc/02/23/30/352022330.db2.gz BEPBMBFVTCXKBF-UHFFFAOYSA-N 0 0 175.231 2.219 10 30 AEEERN C=C(C)CN(C)c1ccccn1 307590691 352024342 /nfs/dbraw/zinc/02/43/42/352024342.db2.gz GRFOYZIGAHWJDA-UHFFFAOYSA-N 0 0 162.236 2.094 10 30 AEEERN Cc1ccc([C@@H](C)NCC#N)cc1C 307621998 352026928 /nfs/dbraw/zinc/02/69/28/352026928.db2.gz GMVLFXOHVVFLRY-LLVKDONJSA-N 0 0 188.274 2.478 10 30 AEEERN C=CCS[C@@H]1CCC(=O)[C@@H]1C 307640670 352027954 /nfs/dbraw/zinc/02/79/54/352027954.db2.gz GWXDCAHKPOXBQO-IONNQARKSA-N 0 0 170.277 2.273 10 30 AEEERN C=CCS[C@@H]1CCC(=O)[C@H]1C 307640671 352028017 /nfs/dbraw/zinc/02/80/17/352028017.db2.gz GWXDCAHKPOXBQO-VXNVDRBHSA-N 0 0 170.277 2.273 10 30 AEEERN C=CCS[C@H]1CCC(=O)[C@@H]1C 307640669 352028218 /nfs/dbraw/zinc/02/82/18/352028218.db2.gz GWXDCAHKPOXBQO-CBAPKCEASA-N 0 0 170.277 2.273 10 30 AEEERN C=CCS[C@H]1CCC(=O)[C@H]1C 307640668 352028423 /nfs/dbraw/zinc/02/84/23/352028423.db2.gz GWXDCAHKPOXBQO-APPZFPTMSA-N 0 0 170.277 2.273 10 30 AEEERN N#Cc1cccc(C(=O)C(F)F)c1 307679710 352031407 /nfs/dbraw/zinc/03/14/07/352031407.db2.gz NAYLCVMEKRWIQW-UHFFFAOYSA-N 0 0 181.141 2.006 10 30 AEEERN C[C@@H]1CCN(C(C)(C)C#N)C[C@@H]1C 307709212 352033832 /nfs/dbraw/zinc/03/38/32/352033832.db2.gz LLFXOKXZAGNKTD-ZJUUUORDSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@@H]1CN(C(C)(C)C#N)CC[C@H]1C 307709209 352033892 /nfs/dbraw/zinc/03/38/92/352033892.db2.gz LLFXOKXZAGNKTD-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CCN(C(C)(C)C#N)C[C@H]1C 307709211 352033949 /nfs/dbraw/zinc/03/39/49/352033949.db2.gz LLFXOKXZAGNKTD-VHSXEESVSA-N 0 0 180.295 2.266 10 30 AEEERN C[C@H]1CCN(C(C)(C)C#N)C[C@@H]1C 307709210 352034054 /nfs/dbraw/zinc/03/40/54/352034054.db2.gz LLFXOKXZAGNKTD-UWVGGRQHSA-N 0 0 180.295 2.266 10 30 AEEERN C=C(C)C[C@@H](C)c1nc(C)no1 307718642 352035130 /nfs/dbraw/zinc/03/51/30/352035130.db2.gz LWVLTUOGIDTRKB-SSDOTTSWSA-N 0 0 166.224 2.448 10 30 AEEERN C[C@@H](C#N)N1CCCCC(C)(C)C1 307729270 352035845 /nfs/dbraw/zinc/03/58/45/352035845.db2.gz FRWMJQCTRAIBHK-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H](C#N)N1CCCCC(C)(C)C1 307729273 352036210 /nfs/dbraw/zinc/03/62/10/352036210.db2.gz FRWMJQCTRAIBHK-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1ccc(C#N)cn1 307727061 352036333 /nfs/dbraw/zinc/03/63/33/352036333.db2.gz CWQCORPAYYUURO-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN C=C(C)CN(C)C(=O)C1CCCC1 308142282 352043740 /nfs/dbraw/zinc/04/37/40/352043740.db2.gz ACSLGPGXLNFCCB-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC[C@H]1C 308257569 352046922 /nfs/dbraw/zinc/04/69/22/352046922.db2.gz LQWDVDSUBBGXTQ-ZJUUUORDSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC[C@@H]1C 308257566 352047034 /nfs/dbraw/zinc/04/70/34/352047034.db2.gz LQWDVDSUBBGXTQ-UWVGGRQHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@H]1C 308257564 352047081 /nfs/dbraw/zinc/04/70/81/352047081.db2.gz LQWDVDSUBBGXTQ-NXEZZACHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCC(=O)N1CCCC1(C)C 308252392 352047123 /nfs/dbraw/zinc/04/71/23/352047123.db2.gz BWSREEOHPAUMIL-UHFFFAOYSA-N 0 0 181.279 2.354 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@@H]1C 308257568 352047152 /nfs/dbraw/zinc/04/71/52/352047152.db2.gz LQWDVDSUBBGXTQ-VHSXEESVSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCC(C)(C)C(=O)N1CCCC1 308289559 352047621 /nfs/dbraw/zinc/04/76/21/352047621.db2.gz FKZDAJALVXBIOR-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CC[C@@H](C)C1 308289061 352047638 /nfs/dbraw/zinc/04/76/38/352047638.db2.gz FYYPUUZSZXGUGJ-NXEZZACHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CC[C@H](C)C1 308289063 352047653 /nfs/dbraw/zinc/04/76/53/352047653.db2.gz FYYPUUZSZXGUGJ-VHSXEESVSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCC(=O)N1CCC=C(C)C1 308284791 352047717 /nfs/dbraw/zinc/04/77/17/352047717.db2.gz CUEUNTBDECYUQC-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=CCCC(=O)N1CCC12CCC2 308352967 352049983 /nfs/dbraw/zinc/04/99/83/352049983.db2.gz ZNMYNQVXXJOYEG-UHFFFAOYSA-N 0 0 179.263 2.108 10 30 AEEERN C=CCNC(=O)N(C)[C@H](C)CCC 308425123 352050852 /nfs/dbraw/zinc/05/08/52/352050852.db2.gz QRCQZTLQGUAOKH-SECBINFHSA-N 0 0 184.283 2.002 10 30 AEEERN C=CCNC(=O)N(C)[C@@H](C)CCC 308425124 352051058 /nfs/dbraw/zinc/05/10/58/352051058.db2.gz QRCQZTLQGUAOKH-VIFPVBQESA-N 0 0 184.283 2.002 10 30 AEEERN O=CC1(C/C=C\Cl)CCC1 316375429 352055594 /nfs/dbraw/zinc/05/55/94/352055594.db2.gz CFUWKKKRQJNJTI-KXFIGUGUSA-N 0 0 158.628 2.498 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 334147903 352056582 /nfs/dbraw/zinc/05/65/82/352056582.db2.gz FMODHNNALSBSFC-URLYPYJESA-N 0 0 193.290 2.067 10 30 AEEERN C=CC1CCN(CC(F)(F)F)CC1 334210657 352058821 /nfs/dbraw/zinc/05/88/21/352058821.db2.gz GKBGHCZGWNGIEO-UHFFFAOYSA-N 0 0 193.212 2.447 10 30 AEEERN C=CC[C@H](C)NC(=O)N1CC[C@@H](C)C1 334253077 352060352 /nfs/dbraw/zinc/06/03/52/352060352.db2.gz WTPCNIYSXOGNCB-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN N#CCN1CCC[C@]2(CC=CCC2)C1 334255658 352060522 /nfs/dbraw/zinc/06/05/22/352060522.db2.gz YSRJZTKKMZQFAP-GFCCVEGCSA-N 0 0 190.290 2.332 10 30 AEEERN N#CCN1CCC[C@@]2(CC=CCC2)C1 334255659 352060543 /nfs/dbraw/zinc/06/05/43/352060543.db2.gz YSRJZTKKMZQFAP-LBPRGKRZSA-N 0 0 190.290 2.332 10 30 AEEERN C=CC[C@H](C)NC(=O)N1CC[C@H](C)C1 334253074 352060952 /nfs/dbraw/zinc/06/09/52/352060952.db2.gz WTPCNIYSXOGNCB-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCN1CCOCc2ccccc21 334306299 352062715 /nfs/dbraw/zinc/06/27/15/352062715.db2.gz GXYUZXORVQMWAM-UHFFFAOYSA-N 0 0 189.258 2.209 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1CC[C@@H](C)C1 334305602 352062801 /nfs/dbraw/zinc/06/28/01/352062801.db2.gz GKJFDNJOKSECLZ-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H]1CC[C@H](C)C1 334305606 352062894 /nfs/dbraw/zinc/06/28/94/352062894.db2.gz GKJFDNJOKSECLZ-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCNC(=O)N1CCC(CC)CC1 334284749 352062965 /nfs/dbraw/zinc/06/29/65/352062965.db2.gz WEBUDTFXTUDSMS-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN N#CCCCC(=O)N1CCCCCC1 334291826 352063014 /nfs/dbraw/zinc/06/30/14/352063014.db2.gz DVCMNCLTGDQRLT-UHFFFAOYSA-N 0 0 194.278 2.083 10 30 AEEERN C=CC1CCN(C(=O)C2=CCC2)CC1 334311735 352063773 /nfs/dbraw/zinc/06/37/73/352063773.db2.gz KHSRMDVDLNXUBN-UHFFFAOYSA-N 0 0 191.274 2.131 10 30 AEEERN N#CCN1CCCc2cccc(F)c21 334349494 352066456 /nfs/dbraw/zinc/06/64/56/352066456.db2.gz AEKLDIYXHJCKIU-UHFFFAOYSA-N 0 0 190.221 2.102 10 30 AEEERN C=CCNC(=O)N1CCC(C)(C)CC1 334412816 352068039 /nfs/dbraw/zinc/06/80/39/352068039.db2.gz LOVPNYXUIMEUDY-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=C(C)CN(C)C(=O)c1ccoc1C 334396755 352068249 /nfs/dbraw/zinc/06/82/49/352068249.db2.gz CLDAMQIGYRVCBX-UHFFFAOYSA-N 0 0 193.246 2.236 10 30 AEEERN C=CCNC(=O)N1CCCC(C)(C)C1 334426893 352069287 /nfs/dbraw/zinc/06/92/87/352069287.db2.gz WICLLCSMWVGMMA-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C[C@@H]1c2ccccc2CCN1CC#N 334436585 352069680 /nfs/dbraw/zinc/06/96/80/352069680.db2.gz HCDZRBZAJRQDDX-SNVBAGLBSA-N 0 0 186.258 2.129 10 30 AEEERN C[C@H]1c2ccccc2CCN1CC#N 334436584 352069827 /nfs/dbraw/zinc/06/98/27/352069827.db2.gz HCDZRBZAJRQDDX-JTQLQIEISA-N 0 0 186.258 2.129 10 30 AEEERN C=C(C)CNC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 334474809 352072023 /nfs/dbraw/zinc/07/20/23/352072023.db2.gz LLVKGNTVAZFEBF-PEGIJTEDSA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CN(C)C(=O)N[C@@H]1CC1(C)C 334481541 352072829 /nfs/dbraw/zinc/07/28/29/352072829.db2.gz WNLVSYCSINUTKJ-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN CCc1cccc(N(C)CC#N)c1 334510137 352073951 /nfs/dbraw/zinc/07/39/51/352073951.db2.gz CGBZCYNWCQLWCO-UHFFFAOYSA-N 0 0 174.247 2.209 10 30 AEEERN C=C1CCN(Cc2ncc(C)o2)CC1 334561794 352074468 /nfs/dbraw/zinc/07/44/68/352074468.db2.gz DDJOAUQGEIEBJQ-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=CCNC(=O)N1CC(C)(C)C[C@@H]1C 334585425 352075870 /nfs/dbraw/zinc/07/58/70/352075870.db2.gz RPIBAQSDCPASEU-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)N1CC(C)(C)C[C@H]1C 334585423 352075887 /nfs/dbraw/zinc/07/58/87/352075887.db2.gz RPIBAQSDCPASEU-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CC(C)(C)C(=O)N1CC[C@@](C)(F)C1 334653230 352078027 /nfs/dbraw/zinc/07/80/27/352078027.db2.gz DUQQMLMMTIFWKP-LLVKDONJSA-N 0 0 199.269 2.159 10 30 AEEERN CC#CCNc1ccc2c(c1)CCC2=O 334650865 352078268 /nfs/dbraw/zinc/07/82/68/352078268.db2.gz IHNROPPXRXQAIX-UHFFFAOYSA-N 0 0 199.253 2.251 10 30 AEEERN C=CC(C)(C)C(=O)N1CC[C@](C)(F)C1 334653231 352078276 /nfs/dbraw/zinc/07/82/76/352078276.db2.gz DUQQMLMMTIFWKP-NSHDSACASA-N 0 0 199.269 2.159 10 30 AEEERN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]1C 334650745 352078489 /nfs/dbraw/zinc/07/84/89/352078489.db2.gz IVLVNMJOHMIRNG-DTWKUNHWSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]1C 334650747 352078500 /nfs/dbraw/zinc/07/85/00/352078500.db2.gz IVLVNMJOHMIRNG-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H]1CCCCN1c1nncs1 334673970 352078740 /nfs/dbraw/zinc/07/87/40/352078740.db2.gz AVJLXGSMHDZHKP-QMMMGPOBSA-N 0 0 195.291 2.083 10 30 AEEERN C=CCNc1ccc2c(c1)CCC2=O 334671722 352078790 /nfs/dbraw/zinc/07/87/90/352078790.db2.gz YWVOYFGUBGSYOM-UHFFFAOYSA-N 0 0 187.242 2.413 10 30 AEEERN CC(C)N(CC#N)C1CC(C)(C)C1 334700230 352080179 /nfs/dbraw/zinc/08/01/79/352080179.db2.gz YJJSTOHECQEPDR-UHFFFAOYSA-N 0 0 180.295 2.409 10 30 AEEERN Cc1cc(SCCC#N)nc(C)n1 334723077 352080810 /nfs/dbraw/zinc/08/08/10/352080810.db2.gz FYVFBEMAWZOZFE-UHFFFAOYSA-N 0 0 193.275 2.099 10 30 AEEERN C=CC(C)(C)C(=O)N1CC=C(C)CC1 334762812 352081146 /nfs/dbraw/zinc/08/11/46/352081146.db2.gz IFLLVTPXYIFBJP-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCN(C)c1nc2ccccc2o1 334764993 352081197 /nfs/dbraw/zinc/08/11/97/352081197.db2.gz GSNXZIPMRHSONF-UHFFFAOYSA-N 0 0 188.230 2.450 10 30 AEEERN C=C(C)CCNC(=O)N1C[C@@H](C)[C@H]1C 334789580 352082065 /nfs/dbraw/zinc/08/20/65/352082065.db2.gz VSRIDKKJPKWMAF-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CCNC(=O)N1C[C@H](C)[C@H]1C 334789590 352082095 /nfs/dbraw/zinc/08/20/95/352082095.db2.gz VSRIDKKJPKWMAF-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CCNC(=O)N1[C@@H](C)C[C@@H]1C 334789561 352082153 /nfs/dbraw/zinc/08/21/53/352082153.db2.gz VIQMRQIMTWYVQC-UWVGGRQHSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(C)CCNC(=O)N1[C@H](C)C[C@H]1C 334789560 352082393 /nfs/dbraw/zinc/08/23/93/352082393.db2.gz VIQMRQIMTWYVQC-NXEZZACHSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(C)CCNC(=O)N1C[C@H](C)[C@@H]1C 334789585 352082406 /nfs/dbraw/zinc/08/24/06/352082406.db2.gz VSRIDKKJPKWMAF-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CCNC(=O)N1C[C@@H](C)[C@@H]1C 334789593 352082410 /nfs/dbraw/zinc/08/24/10/352082410.db2.gz VSRIDKKJPKWMAF-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CCNC(=O)N1[C@@H](C)C[C@H]1C 334789559 352082453 /nfs/dbraw/zinc/08/24/53/352082453.db2.gz VIQMRQIMTWYVQC-AOOOYVTPSA-N 0 0 196.294 2.145 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](F)C1 334836327 352083761 /nfs/dbraw/zinc/08/37/61/352083761.db2.gz FUNBEBLFCONSMH-KOLCDFICSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](F)C1 334836264 352083522 /nfs/dbraw/zinc/08/35/22/352083522.db2.gz DPJGUUCIRXETKQ-ZJUUUORDSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCNC(=O)NC1(C)CCCCC1 334832260 352083575 /nfs/dbraw/zinc/08/35/75/352083575.db2.gz QFSIMFOCHXEVBB-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](F)C1 334836329 352083664 /nfs/dbraw/zinc/08/36/64/352083664.db2.gz FUNBEBLFCONSMH-MWLCHTKSSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](F)C1 334836262 352083686 /nfs/dbraw/zinc/08/36/86/352083686.db2.gz DPJGUUCIRXETKQ-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](F)C1 334836260 352083691 /nfs/dbraw/zinc/08/36/91/352083691.db2.gz DPJGUUCIRXETKQ-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1CC[C@H](F)C1 334836325 352083711 /nfs/dbraw/zinc/08/37/11/352083711.db2.gz FUNBEBLFCONSMH-GXSJLCMTSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N1CC[C@H](F)C1 334836330 352083773 /nfs/dbraw/zinc/08/37/73/352083773.db2.gz FUNBEBLFCONSMH-ONGXEEELSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCN(C)C(=O)c1cc(C)cs1 334939108 352085661 /nfs/dbraw/zinc/08/56/61/352085661.db2.gz AHJJXNJZUBNOMV-UHFFFAOYSA-N 0 0 195.287 2.315 10 30 AEEERN C=CCn1nc(C2CCC2)nc1C 334957695 352086648 /nfs/dbraw/zinc/08/66/48/352086648.db2.gz IEZNEZRULZQDBS-UHFFFAOYSA-N 0 0 177.251 2.040 10 30 AEEERN C=CCNC(=O)N1[C@@H](C)CC[C@@H]1CC 335091366 352088944 /nfs/dbraw/zinc/08/89/44/352088944.db2.gz DKKIARLYMKNHMC-UWVGGRQHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCNC(=O)N1[C@H](C)CC[C@H]1CC 335091365 352089085 /nfs/dbraw/zinc/08/90/85/352089085.db2.gz DKKIARLYMKNHMC-NXEZZACHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCNC(=O)N1[C@@H](CC)CC[C@H]1C 335091368 352089118 /nfs/dbraw/zinc/08/91/18/352089118.db2.gz DKKIARLYMKNHMC-ZJUUUORDSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1C 335119603 352089523 /nfs/dbraw/zinc/08/95/23/352089523.db2.gz XBZYGGAMMOSPRH-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC[C@@H](F)C1 335163514 352090075 /nfs/dbraw/zinc/09/00/75/352090075.db2.gz IDCBTKALNREWJF-VHSXEESVSA-N 0 0 199.269 2.159 10 30 AEEERN C=C(C)CNC(=O)[C@H]1CCC[C@@H](F)C1 335163064 352090146 /nfs/dbraw/zinc/09/01/46/352090146.db2.gz AQILVZOWFWJBDA-VHSXEESVSA-N 0 0 199.269 2.207 10 30 AEEERN C[C@@H]1C[C@H]1N(CC#N)c1ccccc1 335175418 352090399 /nfs/dbraw/zinc/09/03/99/352090399.db2.gz MBZMCQQKZDOZFC-ZYHUDNBSSA-N 0 0 186.258 2.425 10 30 AEEERN C[C@@H]1C[C@@H]1N(CC#N)c1ccccc1 335175417 352090518 /nfs/dbraw/zinc/09/05/18/352090518.db2.gz MBZMCQQKZDOZFC-PWSUYJOCSA-N 0 0 186.258 2.425 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@@H](F)C1 335163512 352090569 /nfs/dbraw/zinc/09/05/69/352090569.db2.gz IDCBTKALNREWJF-NXEZZACHSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC[C@H](F)C1 335163513 352090586 /nfs/dbraw/zinc/09/05/86/352090586.db2.gz IDCBTKALNREWJF-UWVGGRQHSA-N 0 0 199.269 2.159 10 30 AEEERN C[C@@H]1CC(C)(C)CN1C(C)(C)C#N 335187405 352090738 /nfs/dbraw/zinc/09/07/38/352090738.db2.gz FEAPUBBMDPVJAJ-SECBINFHSA-N 0 0 180.295 2.409 10 30 AEEERN C[C@H]1CC(C)(C)CN1[C@H](C)C#N 335197556 352091327 /nfs/dbraw/zinc/09/13/27/352091327.db2.gz YQSYNHSSLZANRK-DTWKUNHWSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H](C#N)N1CC(C)(C)C[C@@H]1C 335197557 352091480 /nfs/dbraw/zinc/09/14/80/352091480.db2.gz YQSYNHSSLZANRK-IUCAKERBSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@@H](C#N)N1CC(C)(C)C[C@H]1C 335197555 352091578 /nfs/dbraw/zinc/09/15/78/352091578.db2.gz YQSYNHSSLZANRK-BDAKNGLRSA-N 0 0 166.268 2.019 10 30 AEEERN C[C@H](C#N)N1CC(C)(C)C[C@H]1C 335197558 352091595 /nfs/dbraw/zinc/09/15/95/352091595.db2.gz YQSYNHSSLZANRK-RKDXNWHRSA-N 0 0 166.268 2.019 10 30 AEEERN C=CC(C)(C)c1nc(C2CC2)no1 335238315 352091990 /nfs/dbraw/zinc/09/19/90/352091990.db2.gz FRXBHEHNHRNNGQ-UHFFFAOYSA-N 0 0 178.235 2.411 10 30 AEEERN C=C(C)CCn1cc(Cl)ccc1=O 335341868 352095135 /nfs/dbraw/zinc/09/51/35/352095135.db2.gz PJRNBCPHHRUEGZ-UHFFFAOYSA-N 0 0 197.665 2.468 10 30 AEEERN CC1(C)CCCN(CCCF)[C@H]1C#N 335401041 352096620 /nfs/dbraw/zinc/09/66/20/352096620.db2.gz CGHMSBOMPSJWKN-JTQLQIEISA-N 0 0 198.285 2.360 10 30 AEEERN CC1(C)CCCN(CCCF)[C@@H]1C#N 335401042 352096915 /nfs/dbraw/zinc/09/69/15/352096915.db2.gz CGHMSBOMPSJWKN-SNVBAGLBSA-N 0 0 198.285 2.360 10 30 AEEERN C=CCN(C)C(=O)C1CC2(CCC2)C1 335439887 352098193 /nfs/dbraw/zinc/09/81/93/352098193.db2.gz CWRLWOTZZJIYNC-UHFFFAOYSA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)C[N@@H+]1CCOC[C@@H]1C1CCC1 335446300 352098288 /nfs/dbraw/zinc/09/82/88/352098288.db2.gz HQYCWMXGWDMTEK-GFCCVEGCSA-N 0 0 195.306 2.063 10 30 AEEERN C=C(C)C[N@@H+]1CCOC[C@H]1C1CCC1 335446302 352098293 /nfs/dbraw/zinc/09/82/93/352098293.db2.gz HQYCWMXGWDMTEK-LBPRGKRZSA-N 0 0 195.306 2.063 10 30 AEEERN C=CC(C)(C)C(=O)N1CC[C@H]1CC 335468187 352099828 /nfs/dbraw/zinc/09/98/28/352099828.db2.gz LWOWLMADSCITEE-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CC(C)(C)C(=O)N1CC[C@@H]1CC 335468188 352099843 /nfs/dbraw/zinc/09/98/43/352099843.db2.gz LWOWLMADSCITEE-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1CC(C)C1 335506615 352101259 /nfs/dbraw/zinc/10/12/59/352101259.db2.gz BVNWGQQJVLJFQH-UHFFFAOYSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CCCC1 335573964 352103984 /nfs/dbraw/zinc/10/39/84/352103984.db2.gz XUZKIDJXAUTNFX-JTQLQIEISA-N 0 0 181.279 2.211 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CCCC1 335573965 352104196 /nfs/dbraw/zinc/10/41/96/352104196.db2.gz XUZKIDJXAUTNFX-SNVBAGLBSA-N 0 0 181.279 2.211 10 30 AEEERN C=CC1CCN(C(=O)CCC)CC1 335573832 352104319 /nfs/dbraw/zinc/10/43/19/352104319.db2.gz HUWMRTZXCIRMHZ-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=CC(C)(C)C(=O)N1CCCCCO1 335581809 352104785 /nfs/dbraw/zinc/10/47/85/352104785.db2.gz UMZHTEYIYTYMKJ-UHFFFAOYSA-N 0 0 197.278 2.143 10 30 AEEERN C=CC(C)(C)C(=O)N1CCC=C(C)C1 335575342 352104814 /nfs/dbraw/zinc/10/48/14/352104814.db2.gz AFYNSRCVPSQCCB-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(CC)CNC(=O)N1C[C@@H](C)[C@@H]1C 335580094 352104820 /nfs/dbraw/zinc/10/48/20/352104820.db2.gz NZSBQYSNEZNJLY-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(CC)CNC(=O)N1C[C@@H](C)[C@H]1C 335580091 352104842 /nfs/dbraw/zinc/10/48/42/352104842.db2.gz NZSBQYSNEZNJLY-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CC(C)(C)C(=O)N1CCC12CCC2 335575800 352104908 /nfs/dbraw/zinc/10/49/08/352104908.db2.gz DRXNIRLOCDTCLB-UHFFFAOYSA-N 0 0 193.290 2.354 10 30 AEEERN C=C(CC)CNC(=O)N1C[C@H](C)[C@H]1C 335580093 352105000 /nfs/dbraw/zinc/10/50/00/352105000.db2.gz NZSBQYSNEZNJLY-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(CC)CNC(=O)N1C[C@H](C)[C@@H]1C 335580092 352105010 /nfs/dbraw/zinc/10/50/10/352105010.db2.gz NZSBQYSNEZNJLY-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC(C)C1 335593785 352105867 /nfs/dbraw/zinc/10/58/67/352105867.db2.gz XTJYZMQILWCPHQ-SNVBAGLBSA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]1C 335597269 352105880 /nfs/dbraw/zinc/10/58/80/352105880.db2.gz SRTFLCKRAHWWLZ-NXEZZACHSA-N 0 0 195.306 2.456 10 30 AEEERN N#Cc1ccn(CC2(C#N)CCC2)c1 335596757 352105892 /nfs/dbraw/zinc/10/58/92/352105892.db2.gz AIORXYRJFCNHIX-UHFFFAOYSA-N 0 0 185.230 2.054 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H]1C 335597270 352106193 /nfs/dbraw/zinc/10/61/93/352106193.db2.gz SRTFLCKRAHWWLZ-UWVGGRQHSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)CCN1CCCc2n[nH]cc21 335604603 352106446 /nfs/dbraw/zinc/10/64/46/352106446.db2.gz NNRVJHCEPZVJJN-UHFFFAOYSA-N 0 0 191.278 2.129 10 30 AEEERN C=C[C@@H]1CCCCN1C(=O)C1=CCC1 335681668 352109101 /nfs/dbraw/zinc/10/91/01/352109101.db2.gz RMGNQPLYIQGBTE-LLVKDONJSA-N 0 0 191.274 2.274 10 30 AEEERN C=CCN(C)C(=O)c1cccc(F)c1 335711348 352110121 /nfs/dbraw/zinc/11/01/21/352110121.db2.gz HDDFEKBLOQVRCP-UHFFFAOYSA-N 0 0 193.221 2.084 10 30 AEEERN C=CCCC(=O)N1CC(C)=C[C@H](C)C1 335727926 352110783 /nfs/dbraw/zinc/11/07/83/352110783.db2.gz KMLKPDSEDILFMY-JTQLQIEISA-N 0 0 193.290 2.377 10 30 AEEERN C=C1CCN(C(=O)N(C)C(C)C)CC1 335790375 352112294 /nfs/dbraw/zinc/11/22/94/352112294.db2.gz FXYOPFMWYSEUMB-UHFFFAOYSA-N 0 0 196.294 2.099 10 30 AEEERN C=CCCn1nc(C#N)c2ccccc21 335784370 352112848 /nfs/dbraw/zinc/11/28/48/352112848.db2.gz AZHJHKMAXYXTLM-UHFFFAOYSA-N 0 0 197.241 2.484 10 30 AEEERN C=CCN(C)c1cnc2ccccc2n1 335829969 352114389 /nfs/dbraw/zinc/11/43/89/352114389.db2.gz AAUBPFLIJVRMBJ-UHFFFAOYSA-N 0 0 199.257 2.252 10 30 AEEERN N#CCN1Cc2ccccc2C2(CC2)C1 335856106 352115329 /nfs/dbraw/zinc/11/53/29/352115329.db2.gz DAMNIOPZTQHQCU-UHFFFAOYSA-N 0 0 198.269 2.057 10 30 AEEERN C[C@H]1CC[C@H](C)N1C(=O)CCCC#N 335860811 352116211 /nfs/dbraw/zinc/11/62/11/352116211.db2.gz GXVUPJMTNVNAOF-UWVGGRQHSA-N 0 0 194.278 2.080 10 30 AEEERN C[C@@H]1CC[C@@H](C)N1C(=O)CCCC#N 335860810 352116365 /nfs/dbraw/zinc/11/63/65/352116365.db2.gz GXVUPJMTNVNAOF-NXEZZACHSA-N 0 0 194.278 2.080 10 30 AEEERN CC#CCn1ccc2ccccc2c1=O 335870194 352116770 /nfs/dbraw/zinc/11/67/70/352116770.db2.gz FZJQPQPNHJPJOR-UHFFFAOYSA-N 0 0 197.237 2.025 10 30 AEEERN C=CC[N@H+]1CCC[C@H]1c1cccn1C 335926819 352118898 /nfs/dbraw/zinc/11/88/98/352118898.db2.gz BDGGLAFRMIXNSI-LBPRGKRZSA-N 0 0 190.290 2.348 10 30 AEEERN C=CC[N@H+]1CCC[C@@H]1c1cccn1C 335926818 352119153 /nfs/dbraw/zinc/11/91/53/352119153.db2.gz BDGGLAFRMIXNSI-GFCCVEGCSA-N 0 0 190.290 2.348 10 30 AEEERN N#CCN1CC2(CC2)c2ccccc21 336006566 352121844 /nfs/dbraw/zinc/12/18/44/352121844.db2.gz ZGULKAOHBNHLLZ-UHFFFAOYSA-N 0 0 184.242 2.062 10 30 AEEERN CC(C)=CCOc1cccnc1C#N 335989553 352122142 /nfs/dbraw/zinc/12/21/42/352122142.db2.gz ATIGPBKAXGNJPL-UHFFFAOYSA-N 0 0 188.230 2.298 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)C1 336040451 352123503 /nfs/dbraw/zinc/12/35/03/352123503.db2.gz IHMUVWJYDXPKQL-WDEREUQCSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)C1 336040449 352123475 /nfs/dbraw/zinc/12/34/75/352123475.db2.gz IHMUVWJYDXPKQL-MNOVXSKESA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CCCCO1 336049855 352123799 /nfs/dbraw/zinc/12/37/99/352123799.db2.gz KBXDMFDCEDOROF-JTQLQIEISA-N 0 0 197.278 2.143 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CCCCO1 336049856 352123894 /nfs/dbraw/zinc/12/38/94/352123894.db2.gz KBXDMFDCEDOROF-SNVBAGLBSA-N 0 0 197.278 2.143 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)C1 336040450 352124063 /nfs/dbraw/zinc/12/40/63/352124063.db2.gz IHMUVWJYDXPKQL-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C)C1 336040448 352124088 /nfs/dbraw/zinc/12/40/88/352124088.db2.gz IHMUVWJYDXPKQL-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCNC(=O)N1CCCC[C@H](C)C1 336079236 352124406 /nfs/dbraw/zinc/12/44/06/352124406.db2.gz UYZFWPVBSDKIEO-JTQLQIEISA-N 0 0 196.294 2.004 10 30 AEEERN C=CCNC(=O)N1CCCC[C@@H](C)C1 336079237 352124736 /nfs/dbraw/zinc/12/47/36/352124736.db2.gz UYZFWPVBSDKIEO-SNVBAGLBSA-N 0 0 196.294 2.004 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 336099465 352125765 /nfs/dbraw/zinc/12/57/65/352125765.db2.gz WFFKWNRIHHTMQH-URLYPYJESA-N 0 0 193.290 2.067 10 30 AEEERN CC(C)(C#N)N1C[C@H]2CCCC[C@H]2C1 336137007 352127008 /nfs/dbraw/zinc/12/70/08/352127008.db2.gz XOVAAXXKBJYESI-PHIMTYICSA-N 0 0 192.306 2.411 10 30 AEEERN CC(C)(C#N)N1C[C@@H]2CCCC[C@H]2C1 336137008 352127056 /nfs/dbraw/zinc/12/70/56/352127056.db2.gz XOVAAXXKBJYESI-QWRGUYRKSA-N 0 0 192.306 2.411 10 30 AEEERN CC(C)(C#N)N1C[C@H]2CCCC[C@@H]2C1 336137006 352127412 /nfs/dbraw/zinc/12/74/12/352127412.db2.gz XOVAAXXKBJYESI-GHMZBOCLSA-N 0 0 192.306 2.411 10 30 AEEERN C=C(C)CNC(=O)N1CCCC1(C)C 336173510 352128281 /nfs/dbraw/zinc/12/82/81/352128281.db2.gz VVFMYRSJBAEXPD-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CC(C)(C)C(=O)N1CCC=C(F)C1 336194219 352128986 /nfs/dbraw/zinc/12/89/86/352128986.db2.gz HURJTSCXPJMFQN-UHFFFAOYSA-N 0 0 197.253 2.284 10 30 AEEERN C[C@H]1C[NH+](CC2(C#N)CCC2)C[C@@H]1C 336194666 352129272 /nfs/dbraw/zinc/12/92/72/352129272.db2.gz XCDVULVOVOXYHO-QWRGUYRKSA-N 0 0 192.306 2.268 10 30 AEEERN Cc1ncn(CC2(C#N)CCC2)c1C 336202668 352129279 /nfs/dbraw/zinc/12/92/79/352129279.db2.gz DLDHQPVJZQTYEX-UHFFFAOYSA-N 0 0 189.262 2.194 10 30 AEEERN C[C@@H]1C[NH+](CC2(C#N)CCC2)C[C@H]1C 336194664 352129380 /nfs/dbraw/zinc/12/93/80/352129380.db2.gz XCDVULVOVOXYHO-GHMZBOCLSA-N 0 0 192.306 2.268 10 30 AEEERN C=CC(C)(C)C(=O)N1CCC[C@@H]1C 336220631 352129618 /nfs/dbraw/zinc/12/96/18/352129618.db2.gz HEBHXHIUXWYVJL-VIFPVBQESA-N 0 0 181.279 2.210 10 30 AEEERN C=CC(C)(C)C(=O)N1CCC[C@H]1C 336220630 352130172 /nfs/dbraw/zinc/13/01/72/352130172.db2.gz HEBHXHIUXWYVJL-SECBINFHSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCC1(C(=O)NC)CCCCC1 336237070 352130972 /nfs/dbraw/zinc/13/09/72/352130972.db2.gz BWKQVUJASSOCEM-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCNC(=O)[C@@]1(C)CC=CCC1 336237671 352131137 /nfs/dbraw/zinc/13/11/37/352131137.db2.gz BWSOWHKMINJJJQ-NSHDSACASA-N 0 0 179.263 2.035 10 30 AEEERN N#CCCSc1ncccc1F 336253994 352131891 /nfs/dbraw/zinc/13/18/91/352131891.db2.gz FZYDWCQFAPRUTD-UHFFFAOYSA-N 0 0 182.223 2.226 10 30 AEEERN C=C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 336246900 352131970 /nfs/dbraw/zinc/13/19/70/352131970.db2.gz DZRCUINHNKZEIZ-GHMZBOCLSA-N 0 0 193.290 2.211 10 30 AEEERN C=CC(C)(C)C(=O)N[C@@H]1CC1(C)C 336248514 352132015 /nfs/dbraw/zinc/13/20/15/352132015.db2.gz GYTJQJSPBSEFIT-MRVPVSSYSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCN(C)C(=O)[C@]1(C)CCC[C@H]1C 336262412 352132541 /nfs/dbraw/zinc/13/25/41/352132541.db2.gz FRXQYFYCBQUVGU-ZYHUDNBSSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC(C)(C)C(=O)N1[C@H](C)C[C@H]1C 336263580 352132986 /nfs/dbraw/zinc/13/29/86/352132986.db2.gz RFDVQIHWTBYQGT-RKDXNWHRSA-N 0 0 181.279 2.208 10 30 AEEERN C=CC(C)(C)C(=O)N1[C@@H](C)C[C@H]1C 336263578 352132992 /nfs/dbraw/zinc/13/29/92/352132992.db2.gz RFDVQIHWTBYQGT-DTORHVGOSA-N 0 0 181.279 2.208 10 30 AEEERN C=CCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C 336262410 352133060 /nfs/dbraw/zinc/13/30/60/352133060.db2.gz FRXQYFYCBQUVGU-JQWIXIFHSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C 336263579 352133249 /nfs/dbraw/zinc/13/32/49/352133249.db2.gz RFDVQIHWTBYQGT-IUCAKERBSA-N 0 0 181.279 2.208 10 30 AEEERN C=CCN(C)C(=O)[C@@]1(C)CCC[C@H]1C 336262411 352133306 /nfs/dbraw/zinc/13/33/06/352133306.db2.gz FRXQYFYCBQUVGU-PWSUYJOCSA-N 0 0 195.306 2.457 10 30 AEEERN CCN(CC#N)C1CC(C)(C)C1 336281441 352133574 /nfs/dbraw/zinc/13/35/74/352133574.db2.gz RFWOMIUQENNMNQ-UHFFFAOYSA-N 0 0 166.268 2.020 10 30 AEEERN C[C@@]1(F)CCCN(CC2(C#N)CC2)C1 336275206 352133887 /nfs/dbraw/zinc/13/38/87/352133887.db2.gz CUHRGEVUPTUYDC-SNVBAGLBSA-N 0 0 196.269 2.114 10 30 AEEERN N#CC1(CSc2ncco2)CCC1 336275101 352134089 /nfs/dbraw/zinc/13/40/89/352134089.db2.gz DDUQSWDPXMWIMT-UHFFFAOYSA-N 0 0 194.259 2.461 10 30 AEEERN C[C@]1(F)CCCN(CC2(C#N)CC2)C1 336275205 352134107 /nfs/dbraw/zinc/13/41/07/352134107.db2.gz CUHRGEVUPTUYDC-JTQLQIEISA-N 0 0 196.269 2.114 10 30 AEEERN C=CCCC(=O)N1CCC[C@@](C)(F)C1 336298920 352135013 /nfs/dbraw/zinc/13/50/13/352135013.db2.gz ZUMYZLLXFOWRTN-LLVKDONJSA-N 0 0 199.269 2.303 10 30 AEEERN C=CCCC(=O)N1CCC[C@](C)(F)C1 336298921 352135132 /nfs/dbraw/zinc/13/51/32/352135132.db2.gz ZUMYZLLXFOWRTN-NSHDSACASA-N 0 0 199.269 2.303 10 30 AEEERN C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H]1C 336305868 352135399 /nfs/dbraw/zinc/13/53/99/352135399.db2.gz LQNSIFLLMTZONR-IUCAKERBSA-N 0 0 181.279 2.065 10 30 AEEERN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]1C 336305866 352135899 /nfs/dbraw/zinc/13/58/99/352135899.db2.gz LQNSIFLLMTZONR-BDAKNGLRSA-N 0 0 181.279 2.065 10 30 AEEERN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]1C 336305869 352135908 /nfs/dbraw/zinc/13/59/08/352135908.db2.gz LQNSIFLLMTZONR-RKDXNWHRSA-N 0 0 181.279 2.065 10 30 AEEERN C=C1CCN(C(=O)C2(CC)CC2)CC1 336309487 352135921 /nfs/dbraw/zinc/13/59/21/352135921.db2.gz GOBMWYURLGFIFQ-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C(C)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 336345810 352137728 /nfs/dbraw/zinc/13/77/28/352137728.db2.gz QVQJNWWSJIIXLW-VXGBXAGGSA-N 0 0 195.306 2.063 10 30 AEEERN C=C(C)C[N@@H+]1CCC[C@H]2COCC[C@H]21 336345808 352137848 /nfs/dbraw/zinc/13/78/48/352137848.db2.gz QVQJNWWSJIIXLW-NWDGAFQWSA-N 0 0 195.306 2.063 10 30 AEEERN C=C(C)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 336345807 352137868 /nfs/dbraw/zinc/13/78/68/352137868.db2.gz QVQJNWWSJIIXLW-NEPJUHHUSA-N 0 0 195.306 2.063 10 30 AEEERN C=C(C)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 336345809 352137914 /nfs/dbraw/zinc/13/79/14/352137914.db2.gz QVQJNWWSJIIXLW-RYUDHWBXSA-N 0 0 195.306 2.063 10 30 AEEERN C=CCNC(=O)N1CCCCC[C@H]1C 336436441 352141453 /nfs/dbraw/zinc/14/14/53/352141453.db2.gz PJZKMXNXDBCDPY-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=C1CCN(Cc2conc2C)CC1 336376257 352139431 /nfs/dbraw/zinc/13/94/31/352139431.db2.gz WAJJURMVEKBTCT-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=CCNC(=O)N1CCC[C@@H]1C(C)C 336427034 352140995 /nfs/dbraw/zinc/14/09/95/352140995.db2.gz FWBNQLFJSHGFTN-SNVBAGLBSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)N1CCC[C@H]1C(C)C 336427033 352141152 /nfs/dbraw/zinc/14/11/52/352141152.db2.gz FWBNQLFJSHGFTN-JTQLQIEISA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)N1CCCCC[C@@H]1C 336436440 352141231 /nfs/dbraw/zinc/14/12/31/352141231.db2.gz PJZKMXNXDBCDPY-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN C=CCNC(=O)N1C[C@H](C)CC[C@H]1C 336465875 352141872 /nfs/dbraw/zinc/14/18/72/352141872.db2.gz JQEBTMUEOCVZLC-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C[C@H]1CCCC[N@@H+]1Cc1ccno1 336454157 352141973 /nfs/dbraw/zinc/14/19/73/352141973.db2.gz ABUADRJWXFIKSD-JTQLQIEISA-N 0 0 192.262 2.215 10 30 AEEERN C[C@@H]1c2ccccc2CN1CCC#N 336458479 352142017 /nfs/dbraw/zinc/14/20/17/352142017.db2.gz ATIPAQGUCZWQDO-SNVBAGLBSA-N 0 0 186.258 2.477 10 30 AEEERN C=CCNC(=O)N1C[C@H](C)CC[C@@H]1C 336465878 352142027 /nfs/dbraw/zinc/14/20/27/352142027.db2.gz JQEBTMUEOCVZLC-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C[C@H]1c2ccccc2CN1CCC#N 336458478 352142116 /nfs/dbraw/zinc/14/21/16/352142116.db2.gz ATIPAQGUCZWQDO-JTQLQIEISA-N 0 0 186.258 2.477 10 30 AEEERN C=C[C@@H]1CCCC[N@@H+]1Cc1ccno1 336454158 352142135 /nfs/dbraw/zinc/14/21/35/352142135.db2.gz ABUADRJWXFIKSD-SNVBAGLBSA-N 0 0 192.262 2.215 10 30 AEEERN C=CCNC(=O)N1C[C@@H](C)CC[C@H]1C 336465877 352142642 /nfs/dbraw/zinc/14/26/42/352142642.db2.gz JQEBTMUEOCVZLC-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCN(C)C(=O)C1=CCCCC1 336474808 352142896 /nfs/dbraw/zinc/14/28/96/352142896.db2.gz FSQZSNLTZXUSRG-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=CCN(C)C(=O)C1=C(C)CCC1 336474797 352142930 /nfs/dbraw/zinc/14/29/30/352142930.db2.gz ALZJZRQPWNGEJP-UHFFFAOYSA-N 0 0 179.263 2.131 10 30 AEEERN C=CCN(C)C(=O)C1(C)CCCC1 336474800 352142952 /nfs/dbraw/zinc/14/29/52/352142952.db2.gz BUJJGZPVIBBAFT-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C1CCN(C(=O)[C@@H](C)C2CC2)CC1 336527218 352143286 /nfs/dbraw/zinc/14/32/86/352143286.db2.gz BBERCZVFBXAVJM-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CCN(Cc2cnoc2C)CC1 336503964 352143930 /nfs/dbraw/zinc/14/39/30/352143930.db2.gz AUHLHLPBBKJBQF-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN CC(C)[C@H]1CC[N@H+](CC2(C#N)CC2)C1 336603176 352150123 /nfs/dbraw/zinc/15/01/23/352150123.db2.gz RUZDMDCKGTYIOS-NSHDSACASA-N 0 0 192.306 2.268 10 30 AEEERN CC(C)[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 336603175 352150650 /nfs/dbraw/zinc/15/06/50/352150650.db2.gz RUZDMDCKGTYIOS-LLVKDONJSA-N 0 0 192.306 2.268 10 30 AEEERN C=CCCSCc1ncnn1CC 379370661 352152971 /nfs/dbraw/zinc/15/29/71/352152971.db2.gz GNZSQQBHHKADSF-UHFFFAOYSA-N 0 0 197.307 2.107 10 30 AEEERN CC(C)N1Cc2cccc(C#N)c2C1 405140933 352157195 /nfs/dbraw/zinc/15/71/95/352157195.db2.gz XRBABFYVHIPPSG-UHFFFAOYSA-N 0 0 186.258 2.282 10 30 AEEERN CCCN1Cc2cccc(C#N)c2C1 405140408 352157209 /nfs/dbraw/zinc/15/72/09/352157209.db2.gz XIIWEBDOFBYVKQ-UHFFFAOYSA-N 0 0 186.258 2.284 10 30 AEEERN CN(Cc1ccco1)CC(C)(C)C#N 405139705 352157243 /nfs/dbraw/zinc/15/72/43/352157243.db2.gz DMRWIOFJHDKLOZ-UHFFFAOYSA-N 0 0 192.262 2.261 10 30 AEEERN C=CCCN(C)c1ncccc1OC 527975665 352174169 /nfs/dbraw/zinc/17/41/69/352174169.db2.gz DNZFTQJPPAFMLS-UHFFFAOYSA-N 0 0 192.262 2.103 10 30 AEEERN C=CC(C)(C)CCNc1ncccn1 528074635 352175595 /nfs/dbraw/zinc/17/55/95/352175595.db2.gz NNTAPPKOHRGIHL-UHFFFAOYSA-N 0 0 191.278 2.491 10 30 AEEERN CC1(C)CC(CN(CC#N)C2CC2)C1 528363206 352176792 /nfs/dbraw/zinc/17/67/92/352176792.db2.gz HHRZHKBDRUOOCT-UHFFFAOYSA-N 0 0 192.306 2.411 10 30 AEEERN CCN(CC#N)CC1CC(C)(C)C1 528362026 352176962 /nfs/dbraw/zinc/17/69/62/352176962.db2.gz CHHLWKOHSMGHFA-UHFFFAOYSA-N 0 0 180.295 2.268 10 30 AEEERN CC1(C)CC(CN2CC(C)(C#N)C2)C1 528483559 352178580 /nfs/dbraw/zinc/17/85/80/352178580.db2.gz BIPNHQWYELNOBZ-UHFFFAOYSA-N 0 0 192.306 2.268 10 30 AEEERN C=C(C)CNC(=O)[C@H]1CCCC12CC2 529069212 352181591 /nfs/dbraw/zinc/18/15/91/352181591.db2.gz DQYDAXMHZGDIJQ-SNVBAGLBSA-N 0 0 193.290 2.259 10 30 AEEERN N#CCCCn1ccnc1C1CC1 530128833 352186374 /nfs/dbraw/zinc/18/63/74/352186374.db2.gz BWMJUXZQDHZVRA-UHFFFAOYSA-N 0 0 175.235 2.064 10 30 AEEERN N#CCCN[C@@H]1C[C@H]1c1ccsc1 530245606 352188989 /nfs/dbraw/zinc/18/89/89/352188989.db2.gz ZUQVNIXBEHAHTC-VHSXEESVSA-N 0 0 192.287 2.107 10 30 AEEERN C=CCOc1ccccc1C 575191134 352196148 /nfs/dbraw/zinc/19/61/48/352196148.db2.gz GFESMVZBJAMBPU-UHFFFAOYSA-N 0 0 147.197 2.392 10 30 AEEERN C=CCOc1cccc(F)c1 575191119 352196434 /nfs/dbraw/zinc/19/64/34/352196434.db2.gz CRWOSEVVHJNGGL-UHFFFAOYSA-N 0 0 151.160 2.299 10 30 AEEERN C=CCOc1ccccc1C 575191192 352196803 /nfs/dbraw/zinc/19/68/03/352196803.db2.gz NANGVFURYNJTOV-UHFFFAOYSA-N 0 0 147.197 2.392 10 30 AEEERN C=CCOc1ccc(C)cc1 575191216 352196915 /nfs/dbraw/zinc/19/69/15/352196915.db2.gz REBYEMSHJLAWBS-UHFFFAOYSA-N 0 0 147.197 2.392 10 30 AEEERN C=CCOCc1cccc(F)c1 575191260 352196918 /nfs/dbraw/zinc/19/69/18/352196918.db2.gz VWSOPMQIIBGVBN-UHFFFAOYSA-N 0 0 165.187 2.342 10 30 AEEERN C=CCCOc1ccccc1 575191324 352196926 /nfs/dbraw/zinc/19/69/26/352196926.db2.gz RCTIVJJJLIVDJW-UHFFFAOYSA-N 0 0 147.197 2.392 10 30 AEEERN C=CCOCc1ccccc1F 575191195 352196941 /nfs/dbraw/zinc/19/69/41/352196941.db2.gz NENJCNSIWUYUIW-UHFFFAOYSA-N 0 0 165.187 2.342 10 30 AEEERN C=CCOc1ccc(F)cc1 575191250 352196943 /nfs/dbraw/zinc/19/69/43/352196943.db2.gz UUMMGZKZUHOZIF-UHFFFAOYSA-N 0 0 151.160 2.299 10 30 AEEERN C=CCOc1ccccc1F 575191277 352196998 /nfs/dbraw/zinc/19/69/98/352196998.db2.gz XRBHSBCIGBHWCK-UHFFFAOYSA-N 0 0 151.160 2.299 10 30 AEEERN C#Cc1cc(C#C)c(C)cc1C 575415277 352198505 /nfs/dbraw/zinc/19/85/05/352198505.db2.gz HPFZIHSKAUBEON-UHFFFAOYSA-N 0 0 154.212 2.266 10 30 AEEERN C=CCOCC(C)(C)CC#N 575419703 352198527 /nfs/dbraw/zinc/19/85/27/352198527.db2.gz XFCIRESDFGXLRC-UHFFFAOYSA-N 0 0 153.225 2.129 10 30 AEEERN CCOc1cc(C)cc(C#N)c1 575422520 352198801 /nfs/dbraw/zinc/19/88/01/352198801.db2.gz NHFHAHXYGLGYJB-UHFFFAOYSA-N 0 0 161.204 2.265 10 30 AEEERN COc1cc(C)c(Cl)cc1/C=N/O 575422987 352199038 /nfs/dbraw/zinc/19/90/38/352199038.db2.gz PLIKBVMQEBOPCQ-VZUCSPMQSA-N 0 0 199.637 2.465 10 30 AEEERN Cc1cc(O)c(/C=N/O)cc1Cl 575422249 352199115 /nfs/dbraw/zinc/19/91/15/352199115.db2.gz IKUCGOIIYFNESB-ONNFQVAWSA-N 0 0 185.610 2.162 10 30 AEEERN N#Cc1c(-c2ccco2)ccnc1F 575434416 352201950 /nfs/dbraw/zinc/20/19/50/352201950.db2.gz WDVJZHKWEYCMTD-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN C[C@@](F)(C#N)c1cccnc1Cl 575433931 352201978 /nfs/dbraw/zinc/20/19/78/352201978.db2.gz WTWBEUATDZWBPN-MRVPVSSYSA-N 0 0 184.601 2.443 10 30 AEEERN N#Cc1c(-c2cccnc2)ccnc1F 575434219 352202062 /nfs/dbraw/zinc/20/20/62/352202062.db2.gz IQZJRPJXTYVGKL-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C#Cc1sc2nccc(C)c2c1N 575434349 352202122 /nfs/dbraw/zinc/20/21/22/352202122.db2.gz PMJVQRAIYDGPBS-UHFFFAOYSA-N 0 0 188.255 2.168 10 30 AEEERN N#Cc1cc2ccccc2n1C1COC1 575434005 352202159 /nfs/dbraw/zinc/20/21/59/352202159.db2.gz BXHYREVKAGNOQL-UHFFFAOYSA-N 0 0 198.225 2.084 10 30 AEEERN C#Cc1sc2nc(C)ccc2c1N 575434270 352202181 /nfs/dbraw/zinc/20/21/81/352202181.db2.gz KQEGYUQGRVUZAJ-UHFFFAOYSA-N 0 0 188.255 2.168 10 30 AEEERN N#Cc1c(-c2ccncc2)ccnc1F 575434376 352202195 /nfs/dbraw/zinc/20/21/95/352202195.db2.gz SEZRGVRGZMFQND-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN N#Cc1ccc(-c2ccco2)nc1F 575433996 352202227 /nfs/dbraw/zinc/20/22/27/352202227.db2.gz BGCVUDLZYIGIJH-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN N#Cc1cccc2c1ccn2C1COC1 575434295 352202259 /nfs/dbraw/zinc/20/22/59/352202259.db2.gz LHKKTSJWZBQVAT-UHFFFAOYSA-N 0 0 198.225 2.084 10 30 AEEERN N#Cc1cn(C2COC2)c2ccccc12 575434354 352202270 /nfs/dbraw/zinc/20/22/70/352202270.db2.gz QGDLWPISXQRBDY-UHFFFAOYSA-N 0 0 198.225 2.084 10 30 AEEERN C[C@](F)(C#N)c1cccnc1Cl 575433932 352202272 /nfs/dbraw/zinc/20/22/72/352202272.db2.gz WTWBEUATDZWBPN-QMMMGPOBSA-N 0 0 184.601 2.443 10 30 AEEERN Cc1cc(Cl)c(C#N)cc1O 575441972 352205948 /nfs/dbraw/zinc/20/59/48/352205948.db2.gz HHUJEODITSCTHI-UHFFFAOYSA-N 0 0 167.595 2.226 10 30 AEEERN O=CC1CC(F)(c2ccccc2)C1 575447702 352206700 /nfs/dbraw/zinc/20/67/00/352206700.db2.gz JVRWMQVENDPISM-UHFFFAOYSA-N 0 0 178.206 2.460 10 30 AEEERN C=C(C)[C@H](O)c1cccc(N)c1F 575449529 352208042 /nfs/dbraw/zinc/20/80/42/352208042.db2.gz VABBZCATUZLRDH-JTQLQIEISA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)[C@@H](O)c1cccc(N)c1F 575449531 352208171 /nfs/dbraw/zinc/20/81/71/352208171.db2.gz VABBZCATUZLRDH-SNVBAGLBSA-N 0 0 181.210 2.017 10 30 AEEERN C=C(Cl)C[C@](C)(C#N)C(C)=O 575451041 352212368 /nfs/dbraw/zinc/21/23/68/352212368.db2.gz MOENTWLAAYBDPI-MRVPVSSYSA-N 0 0 171.627 2.248 10 30 AEEERN C=C(Cl)C[C@@](C)(C#N)C(C)=O 575451042 352212743 /nfs/dbraw/zinc/21/27/43/352212743.db2.gz MOENTWLAAYBDPI-QMMMGPOBSA-N 0 0 171.627 2.248 10 30 AEEERN O=C(/C=C/Cl)c1ccc(O)cc1 575451191 352213489 /nfs/dbraw/zinc/21/34/89/352213489.db2.gz LLURCPBJQUBEQU-AATRIKPKSA-N 0 0 182.606 2.327 10 30 AEEERN CC(=O)/C=C(/C)C1(Cl)CC1 575451356 352214070 /nfs/dbraw/zinc/21/40/70/352214070.db2.gz MXYWDIBLRYAPPY-WAYWQWQTSA-N 0 0 158.628 2.293 10 30 AEEERN N#Cc1cc(C(F)(F)F)sc1N 575451663 352215440 /nfs/dbraw/zinc/21/54/40/352215440.db2.gz YBWXGIDUWBWHRF-UHFFFAOYSA-N 0 0 192.165 2.221 10 30 AEEERN C=CC[C@@]1(C=O)CC1(C)C 575451720 352215444 /nfs/dbraw/zinc/21/54/44/352215444.db2.gz BRNILZMBSXHWCY-VIFPVBQESA-N 0 0 138.210 2.178 10 30 AEEERN C=CC[C@]1(C=O)CC1(C)C 575451718 352215522 /nfs/dbraw/zinc/21/55/22/352215522.db2.gz BRNILZMBSXHWCY-SECBINFHSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)C=C(C)Cl 575451695 352215683 /nfs/dbraw/zinc/21/56/83/352215683.db2.gz IGTDVWHMFBKVJJ-UHFFFAOYSA-N 0 0 144.601 2.274 10 30 AEEERN O=C(C1=CCCC1)[C@H]1CC12CC2 575451934 352216446 /nfs/dbraw/zinc/21/64/46/352216446.db2.gz KOYQOUOVKRMHAH-SECBINFHSA-N 0 0 162.232 2.466 10 30 AEEERN O=C(C1=CCCC1)[C@@H]1CC12CC2 575451935 352216470 /nfs/dbraw/zinc/21/64/70/352216470.db2.gz KOYQOUOVKRMHAH-VIFPVBQESA-N 0 0 162.232 2.466 10 30 AEEERN Cn1ncc(N=[N+]=[N-])c1Cl 575452194 352216967 /nfs/dbraw/zinc/21/69/67/352216967.db2.gz UHXFROQJOBVJLT-UHFFFAOYSA-N 0 0 157.564 2.015 10 30 AEEERN C#Cc1cc(N)cc(Br)c1 575453303 352219453 /nfs/dbraw/zinc/21/94/53/352219453.db2.gz CNZBYCHLLPUNST-UHFFFAOYSA-N 0 0 196.047 2.013 10 30 AEEERN CC=CC(=O)C1CC(F)(F)C1 575453551 352220541 /nfs/dbraw/zinc/22/05/41/352220541.db2.gz OUQXKTCIXQSDOP-NSCUHMNNSA-N 0 0 160.163 2.177 10 30 AEEERN Cc1cc(C#N)c(F)nc1C1CC1 575453552 352220829 /nfs/dbraw/zinc/22/08/29/352220829.db2.gz OVUORNIWACFEJV-UHFFFAOYSA-N 0 0 176.194 2.278 10 30 AEEERN SCc1cnc2ccccc2n1 575453580 352221197 /nfs/dbraw/zinc/22/11/97/352221197.db2.gz QAMIGFBIQXDYPV-UHFFFAOYSA-N 0 0 176.244 2.060 10 30 AEEERN C#CCCNc1cncc(Cl)c1 575454282 352224024 /nfs/dbraw/zinc/22/40/24/352224024.db2.gz WPYBTBGSQHFUIR-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN CC(C)(C#N)Cc1ccc(Cl)nn1 575455644 352226803 /nfs/dbraw/zinc/22/68/03/352226803.db2.gz VSRHXVUQQXEPHB-UHFFFAOYSA-N 0 0 195.653 2.222 10 30 AEEERN C[C@H](C#N)Nc1cncc(Cl)c1 575455983 352228283 /nfs/dbraw/zinc/22/82/83/352228283.db2.gz BOTJBKBZVRMAOD-ZCFIWIBFSA-N 0 0 181.626 2.059 10 30 AEEERN C[C@@H](C#N)Nc1cncc(Cl)c1 575455982 352228353 /nfs/dbraw/zinc/22/83/53/352228353.db2.gz BOTJBKBZVRMAOD-LURJTMIESA-N 0 0 181.626 2.059 10 30 AEEERN CC(=O)/C(C)=C/[C@H]1CCCCO1 575456180 352228826 /nfs/dbraw/zinc/22/88/26/352228826.db2.gz LEFDAWSSLCRPHX-QROSGCPLSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C(C)=C/[C@@H]1CCCCO1 575456179 352228962 /nfs/dbraw/zinc/22/89/62/352228962.db2.gz LEFDAWSSLCRPHX-JARNTUPDSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1CCCCO1 575456177 352229025 /nfs/dbraw/zinc/22/90/25/352229025.db2.gz LEFDAWSSLCRPHX-GQYWMQPJSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1CCCCO1 575456176 352229078 /nfs/dbraw/zinc/22/90/78/352229078.db2.gz LEFDAWSSLCRPHX-DMEOUFDRSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(Cl)C[C@@H]1CCC(=O)C1 575456156 352229080 /nfs/dbraw/zinc/22/90/80/352229080.db2.gz IGBRPFXIRNDJSO-ZETCQYMHSA-N 0 0 158.628 2.498 10 30 AEEERN C=C(Cl)C[C@H]1CCC(=O)C1 575456155 352229144 /nfs/dbraw/zinc/22/91/44/352229144.db2.gz IGBRPFXIRNDJSO-SSDOTTSWSA-N 0 0 158.628 2.498 10 30 AEEERN Nc1cccc(CCCS)c1 575456391 352229565 /nfs/dbraw/zinc/22/95/65/352229565.db2.gz HNCGOWWNEHCKIR-UHFFFAOYSA-N 0 0 167.277 2.131 10 30 AEEERN C=CC(=O)CC1CC=CC1 575456534 352230512 /nfs/dbraw/zinc/23/05/12/352230512.db2.gz DTJSLGBJMQLLCR-UHFFFAOYSA-N 0 0 136.194 2.098 10 30 AEEERN O=C(/C=C/Cl)C1CCSCC1 575456645 352230994 /nfs/dbraw/zinc/23/09/94/352230994.db2.gz SIZNUERVOPCHGB-DAFODLJHSA-N 0 0 190.695 2.451 10 30 AEEERN CC(=O)/C=C1/CCCSCC1 575456763 352231856 /nfs/dbraw/zinc/23/18/56/352231856.db2.gz KTYDYGXVWDUMNI-CLFYSBASSA-N 0 0 170.277 2.419 10 30 AEEERN C/C=C/C(=O)c1cc(N)ccc1F 575457724 352233479 /nfs/dbraw/zinc/23/34/79/352233479.db2.gz RAAUEAAXJQNOKN-NSCUHMNNSA-N 0 0 179.194 2.167 10 30 AEEERN O=C(C=CCl)CC(F)(F)F 575458025 352234851 /nfs/dbraw/zinc/23/48/51/352234851.db2.gz YYRXHYOBWNFXFX-OWOJBTEDSA-N 0 0 172.533 2.260 10 30 AEEERN C=C(Cl)CC(=O)[C@@H]1CCSC1 575458242 352235348 /nfs/dbraw/zinc/23/53/48/352235348.db2.gz KGTURPFWVUBAAV-SSDOTTSWSA-N 0 0 190.695 2.451 10 30 AEEERN [N-]=[N+]=Nc1ccncc1F 575458128 352235475 /nfs/dbraw/zinc/23/54/75/352235475.db2.gz MHVWDUPIFROOLX-UHFFFAOYSA-N 0 0 138.105 2.163 10 30 AEEERN C=C(Cl)CC(=O)[C@H]1CCSC1 575458243 352235573 /nfs/dbraw/zinc/23/55/73/352235573.db2.gz KGTURPFWVUBAAV-ZETCQYMHSA-N 0 0 190.695 2.451 10 30 AEEERN C[C@@H]1CC[C@H](S)CS1 575458282 352236020 /nfs/dbraw/zinc/23/60/20/352236020.db2.gz DJNHYWQQRUFSMH-RITPCOANSA-N 0 0 148.296 2.200 10 30 AEEERN C[C@H]1CC[C@@H](S)CS1 575458280 352236080 /nfs/dbraw/zinc/23/60/80/352236080.db2.gz DJNHYWQQRUFSMH-NTSWFWBYSA-N 0 0 148.296 2.200 10 30 AEEERN C[C@@H]1CC[C@@H](S)CS1 575458281 352236146 /nfs/dbraw/zinc/23/61/46/352236146.db2.gz DJNHYWQQRUFSMH-PHDIDXHHSA-N 0 0 148.296 2.200 10 30 AEEERN C[C@H]1CC[C@H](S)CS1 575458283 352236322 /nfs/dbraw/zinc/23/63/22/352236322.db2.gz DJNHYWQQRUFSMH-WDSKDSINSA-N 0 0 148.296 2.200 10 30 AEEERN C/C=C/C(=O)c1cc(F)ccc1N 575458415 352237023 /nfs/dbraw/zinc/23/70/23/352237023.db2.gz VSZXWXMTOUINFV-NSCUHMNNSA-N 0 0 179.194 2.167 10 30 AEEERN C/C=C/C(=O)c1ccc(N)cc1 575458837 352238474 /nfs/dbraw/zinc/23/84/74/352238474.db2.gz CLZFQQFLSIRMMW-NSCUHMNNSA-N 0 0 161.204 2.028 10 30 AEEERN CC(Cl)=CC(=O)c1ccsn1 575459054 352239257 /nfs/dbraw/zinc/23/92/57/352239257.db2.gz VXQJLHTYYXAILT-UHFFFAOYSA-N 0 0 187.651 2.468 10 30 AEEERN CC(=O)/C=C1\CC[C@H](C)SC1 575459230 352239753 /nfs/dbraw/zinc/23/97/53/352239753.db2.gz KVSPVFNONLPTHC-MOIHINDBSA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)/C=C1/CC[C@H](C)SC1 575459229 352239876 /nfs/dbraw/zinc/23/98/76/352239876.db2.gz KVSPVFNONLPTHC-HXOPTJOXSA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)/C=C1\CC[C@@H](C)SC1 575459227 352240034 /nfs/dbraw/zinc/24/00/34/352240034.db2.gz KVSPVFNONLPTHC-CBVZUMJXSA-N 0 0 170.277 2.417 10 30 AEEERN CC(=O)/C=C1/CC[C@@H](C)SC1 575459228 352240040 /nfs/dbraw/zinc/24/00/40/352240040.db2.gz KVSPVFNONLPTHC-CPJBWDMUSA-N 0 0 170.277 2.417 10 30 AEEERN C=C(Cl)C[C@@H]1CCCCNC1=O 575460330 352242135 /nfs/dbraw/zinc/24/21/35/352242135.db2.gz AILDQUZOFUBUED-QMMMGPOBSA-N 0 0 187.670 2.045 10 30 AEEERN C=C(Cl)C[C@H]1CCCCNC1=O 575460329 352242228 /nfs/dbraw/zinc/24/22/28/352242228.db2.gz AILDQUZOFUBUED-MRVPVSSYSA-N 0 0 187.670 2.045 10 30 AEEERN C=CC(=O)C(C)(C)C(F)(F)F 575460361 352242994 /nfs/dbraw/zinc/24/29/94/352242994.db2.gz HPGLFBQTLPKEBT-UHFFFAOYSA-N 0 0 166.142 2.330 10 30 AEEERN C[C@@]1(C(=O)/C=C/Cl)C[C@H]1F 575460944 352245186 /nfs/dbraw/zinc/24/51/86/352245186.db2.gz NFRBLMUDLLKJIK-SLRATKJRSA-N 0 0 162.591 2.056 10 30 AEEERN C[C@]1(C(=O)/C=C/Cl)C[C@@H]1F 575460940 352245226 /nfs/dbraw/zinc/24/52/26/352245226.db2.gz NFRBLMUDLLKJIK-GFINTZHYSA-N 0 0 162.591 2.056 10 30 AEEERN C[C@]1(C(=O)/C=C/Cl)C[C@H]1F 575460945 352245342 /nfs/dbraw/zinc/24/53/42/352245342.db2.gz NFRBLMUDLLKJIK-ZZCSJVTESA-N 0 0 162.591 2.056 10 30 AEEERN C[C@@]1(C(=O)/C=C/Cl)C[C@@H]1F 575460943 352245452 /nfs/dbraw/zinc/24/54/52/352245452.db2.gz NFRBLMUDLLKJIK-QFDQMUFVSA-N 0 0 162.591 2.056 10 30 AEEERN CC(C)=CC(=O)c1ccsn1 575461199 352246382 /nfs/dbraw/zinc/24/63/82/352246382.db2.gz MBSNBJKGZBJSKJ-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN CC(Cl)=CC(=O)c1ccns1 575461194 352246648 /nfs/dbraw/zinc/24/66/48/352246648.db2.gz MTUDOFINWAKNPV-UHFFFAOYSA-N 0 0 187.651 2.468 10 30 AEEERN C=CC(=O)C1CC(C)(C)C1 575461756 352248844 /nfs/dbraw/zinc/24/88/44/352248844.db2.gz HPDZIAXJMWXEIQ-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN CC=CC(=O)C=C(C)Cl 575461925 352249361 /nfs/dbraw/zinc/24/93/61/352249361.db2.gz BYYVAZNAMDQDLL-ONEGZZNKSA-N 0 0 144.601 2.274 10 30 AEEERN C=C(Cl)C[C@]1(C#N)CCCCN1 575462133 352250898 /nfs/dbraw/zinc/25/08/98/352250898.db2.gz OLZCQLCRVYHDSC-VIFPVBQESA-N 0 0 184.670 2.165 10 30 AEEERN C=C(Cl)C[C@@]1(C#N)CCCCN1 575462131 352250765 /nfs/dbraw/zinc/25/07/65/352250765.db2.gz OLZCQLCRVYHDSC-SECBINFHSA-N 0 0 184.670 2.165 10 30 AEEERN C=C(Cl)CC(=O)[C@@]1(C)C[C@H]1F 575462553 352252277 /nfs/dbraw/zinc/25/22/77/352252277.db2.gz NCSZWGYOCXLJKY-SVRRBLITSA-N 0 0 176.618 2.446 10 30 AEEERN C=C(Cl)CC(=O)[C@]1(C)C[C@H]1F 575462551 352252374 /nfs/dbraw/zinc/25/23/74/352252374.db2.gz NCSZWGYOCXLJKY-HTRCEHHLSA-N 0 0 176.618 2.446 10 30 AEEERN C=C(Cl)CC(=O)[C@@]1(C)C[C@@H]1F 575462554 352252438 /nfs/dbraw/zinc/25/24/38/352252438.db2.gz NCSZWGYOCXLJKY-XPUUQOCRSA-N 0 0 176.618 2.446 10 30 AEEERN C=C(Cl)CC(=O)[C@]1(C)C[C@@H]1F 575462552 352252527 /nfs/dbraw/zinc/25/25/27/352252527.db2.gz NCSZWGYOCXLJKY-POYBYMJQSA-N 0 0 176.618 2.446 10 30 AEEERN CC1(C)OCC[C@]1(C=O)C1CCC1 575462801 352252851 /nfs/dbraw/zinc/25/28/51/352252851.db2.gz URZMVSJTYYZWCJ-NSHDSACASA-N 0 0 182.263 2.171 10 30 AEEERN CC1(C)OCC[C@@]1(C=O)C1CCC1 575462800 352252888 /nfs/dbraw/zinc/25/28/88/352252888.db2.gz URZMVSJTYYZWCJ-LLVKDONJSA-N 0 0 182.263 2.171 10 30 AEEERN N#Cc1cnc2ccccc2c1F 575462946 352253866 /nfs/dbraw/zinc/25/38/66/352253866.db2.gz QJMLVGQAFWVSLU-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN Cc1ncsc1C1=CCCC1=O 575463312 352254304 /nfs/dbraw/zinc/25/43/04/352254304.db2.gz DQEQQOZXTUXSOI-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN C=C1CN(c2ccc(N)cc2Cl)C1 575463385 352254572 /nfs/dbraw/zinc/25/45/72/352254572.db2.gz UKBJXBQTJNMMEZ-UHFFFAOYSA-N 0 0 194.665 2.298 10 30 AEEERN Cc1cc(C#N)cnc1N=[N+]=[N-] 575463727 352256103 /nfs/dbraw/zinc/25/61/03/352256103.db2.gz VYWZZFAXUFKHAK-UHFFFAOYSA-N 0 0 159.152 2.204 10 30 AEEERN O=C(/C=C/Cl)C1(C(F)F)CC1 575464044 352256775 /nfs/dbraw/zinc/25/67/75/352256775.db2.gz OGADSNISXFZISX-DAFODLJHSA-N 0 0 180.581 2.353 10 30 AEEERN C=C[C@H](C)Oc1nsnc1Cl 575464247 352258284 /nfs/dbraw/zinc/25/82/84/352258284.db2.gz DOLZQNPIEWSASV-BYPYZUCNSA-N 0 0 190.655 2.145 10 30 AEEERN C=C[C@@H](C)Oc1nsnc1Cl 575464251 352258371 /nfs/dbraw/zinc/25/83/71/352258371.db2.gz DOLZQNPIEWSASV-SCSAIBSYSA-N 0 0 190.655 2.145 10 30 AEEERN C=C(Cl)C[C@H]1COC(C)(C)C1=O 575464396 352258742 /nfs/dbraw/zinc/25/87/42/352258742.db2.gz FWTAKLJLXCXJCO-ZETCQYMHSA-N 0 0 188.654 2.123 10 30 AEEERN C=C(Cl)C[C@@H]1COC(C)(C)C1=O 575464389 352259119 /nfs/dbraw/zinc/25/91/19/352259119.db2.gz FWTAKLJLXCXJCO-SSDOTTSWSA-N 0 0 188.654 2.123 10 30 AEEERN [N-]=[N+]=Nc1ccc(Br)nn1 575464992 352261616 /nfs/dbraw/zinc/26/16/16/352261616.db2.gz ZADKGKURUKDYDJ-UHFFFAOYSA-N 0 0 199.999 2.181 10 30 AEEERN C=C1CCN(c2ccccc2N)C1 575465427 352263151 /nfs/dbraw/zinc/26/31/51/352263151.db2.gz FNKPWNXXDOJOQZ-UHFFFAOYSA-N 0 0 174.247 2.035 10 30 AEEERN C=C(Cl)C[C@@]1(C#N)CCCC1=O 575465590 352263446 /nfs/dbraw/zinc/26/34/46/352263446.db2.gz BWLKHGSXQFEKAQ-SECBINFHSA-N 0 0 183.638 2.392 10 30 AEEERN C=C(Cl)C[C@]1(C#N)CCCC1=O 575465600 352263790 /nfs/dbraw/zinc/26/37/90/352263790.db2.gz BWLKHGSXQFEKAQ-VIFPVBQESA-N 0 0 183.638 2.392 10 30 AEEERN S[C@H]1CCCSCC1 575465665 352263890 /nfs/dbraw/zinc/26/38/90/352263890.db2.gz IVNCOYTVBOYTNQ-LURJTMIESA-N 0 0 148.296 2.202 10 30 AEEERN S[C@@H]1CCCSCC1 575465666 352263903 /nfs/dbraw/zinc/26/39/03/352263903.db2.gz IVNCOYTVBOYTNQ-ZCFIWIBFSA-N 0 0 148.296 2.202 10 30 AEEERN C=C(C)[C@@H](O)c1cccc(N)c1C 575465715 352264651 /nfs/dbraw/zinc/26/46/51/352264651.db2.gz QSBWWLHSALEJRY-LLVKDONJSA-N 0 0 177.247 2.187 10 30 AEEERN C=C(C)[C@H](O)c1cccc(N)c1C 575465722 352264761 /nfs/dbraw/zinc/26/47/61/352264761.db2.gz QSBWWLHSALEJRY-NSHDSACASA-N 0 0 177.247 2.187 10 30 AEEERN CC(C)=CC(=O)c1ccns1 575466437 352266790 /nfs/dbraw/zinc/26/67/90/352266790.db2.gz IKSPGZOUGXSNNB-UHFFFAOYSA-N 0 0 167.233 2.292 10 30 AEEERN CC#CC[C@]1(C=O)CC1(C)C 575466758 352268135 /nfs/dbraw/zinc/26/81/35/352268135.db2.gz LLGQBBWMISSCGX-SNVBAGLBSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CC[C@@]1(C=O)CC1(C)C 575466757 352268215 /nfs/dbraw/zinc/26/82/15/352268215.db2.gz LLGQBBWMISSCGX-JTQLQIEISA-N 0 0 150.221 2.015 10 30 AEEERN O=C(/C=C/Cl)c1ccsn1 575467653 352272017 /nfs/dbraw/zinc/27/20/17/352272017.db2.gz UKZDHPJXBWJFIO-HNQUOIGGSA-N 0 0 173.624 2.078 10 30 AEEERN C=C(Cl)CC(=O)C(C)(C)F 575467639 352272022 /nfs/dbraw/zinc/27/20/22/352272022.db2.gz LHKNLFYRGUHXGY-UHFFFAOYSA-N 0 0 164.607 2.446 10 30 AEEERN C=C1CCN(c2csc(C=O)c2)C1 575468413 352275020 /nfs/dbraw/zinc/27/50/20/352275020.db2.gz UITXADOHRARBKW-UHFFFAOYSA-N 0 0 193.271 2.327 10 30 AEEERN N#Cc1ccc(C2(Cl)CC2)nc1F 575468515 352275552 /nfs/dbraw/zinc/27/55/52/352275552.db2.gz MCFUCTUGLRAVNX-UHFFFAOYSA-N 0 0 196.612 2.320 10 30 AEEERN O=C(/C=C/Cl)c1ccoc1 575468928 352277301 /nfs/dbraw/zinc/27/73/01/352277301.db2.gz UOJUQIMVWUVKMA-HNQUOIGGSA-N 0 0 156.568 2.215 10 30 AEEERN C=C(C)[C@H](O)c1ccc(N)c(F)c1 575469043 352277804 /nfs/dbraw/zinc/27/78/04/352277804.db2.gz VLBVLWNTXBTVIT-JTQLQIEISA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(N)c(F)c1 575469044 352277981 /nfs/dbraw/zinc/27/79/81/352277981.db2.gz VLBVLWNTXBTVIT-SNVBAGLBSA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)Cc1cnc(Cl)n1C 575469175 352278658 /nfs/dbraw/zinc/27/86/58/352278658.db2.gz FTVUTZMQWFLWDY-UHFFFAOYSA-N 0 0 170.643 2.192 10 30 AEEERN [N-]=[N+]=Nc1cc(C(F)(F)F)ncn1 575469436 352279185 /nfs/dbraw/zinc/27/91/85/352279185.db2.gz BLHNSMGJUWXGRW-UHFFFAOYSA-N 0 0 189.100 2.437 10 30 AEEERN O=C(/C=C/Cl)[C@H]1CCSC1 575469701 352280053 /nfs/dbraw/zinc/28/00/53/352280053.db2.gz UUCWNBHQVUDFJN-VWYTZYABSA-N 0 0 176.668 2.061 10 30 AEEERN C#Cc1cc(C(C)C)nc(Cl)n1 575469718 352280084 /nfs/dbraw/zinc/28/00/84/352280084.db2.gz ZIMKANLSWJAGSG-UHFFFAOYSA-N 0 0 180.638 2.235 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1CCSC1 575469700 352280197 /nfs/dbraw/zinc/28/01/97/352280197.db2.gz UUCWNBHQVUDFJN-OFRQFNDLSA-N 0 0 176.668 2.061 10 30 AEEERN C/C=C/C(=O)c1ccnc(C)c1 575469738 352280411 /nfs/dbraw/zinc/28/04/11/352280411.db2.gz GHNYTXDSIFVBFN-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN C/C=C/C(=O)c1cc(C)ccn1 575469887 352280758 /nfs/dbraw/zinc/28/07/58/352280758.db2.gz FWZYPGVWCXCSMS-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN C/C=C/C(=O)c1ccc(C)c(C)n1 575469925 352280795 /nfs/dbraw/zinc/28/07/95/352280795.db2.gz MTWQSOFDVRXDPP-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN C[C@H](CF)Nc1ccccc1C#N 575470083 352281475 /nfs/dbraw/zinc/28/14/75/352281475.db2.gz CFRLTYJLTFFZEA-MRVPVSSYSA-N 0 0 178.210 2.328 10 30 AEEERN C=C(Cl)C[C@@H]([NH3+])c1ccco1 575470092 352281507 /nfs/dbraw/zinc/28/15/07/352281507.db2.gz CVFFSIXBDDGNKP-SSDOTTSWSA-N 0 0 171.627 2.422 10 30 AEEERN C=C(Cl)C[C@H]([NH3+])c1ccco1 575470095 352281528 /nfs/dbraw/zinc/28/15/28/352281528.db2.gz CVFFSIXBDDGNKP-ZETCQYMHSA-N 0 0 171.627 2.422 10 30 AEEERN C=C(Cl)Cc1ccc[nH]1 575470016 352281579 /nfs/dbraw/zinc/28/15/79/352281579.db2.gz RITJDFXCZXBXRM-UHFFFAOYSA-N 0 0 141.601 2.310 10 30 AEEERN C[C@@H](CF)Nc1ccccc1C#N 575470084 352281626 /nfs/dbraw/zinc/28/16/26/352281626.db2.gz CFRLTYJLTFFZEA-QMMMGPOBSA-N 0 0 178.210 2.328 10 30 AEEERN O=C[C@@H](O)c1ccc2sccc2c1 575470355 352282733 /nfs/dbraw/zinc/28/27/33/352282733.db2.gz OKWPCBNJIVIXOG-SECBINFHSA-N 0 0 192.239 2.134 10 30 AEEERN O=C(/C=C/Cl)[C@H]1CCCS1 575470290 352282874 /nfs/dbraw/zinc/28/28/74/352282874.db2.gz IHMPYHRHQBCJKK-KGGZQZJCSA-N 0 0 176.668 2.204 10 30 AEEERN O=C(C=CCl)C1CC(F)(F)C1 575470317 352283106 /nfs/dbraw/zinc/28/31/06/352283106.db2.gz LYAUNNPNOPBYPX-OWOJBTEDSA-N 0 0 180.581 2.353 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1CCCS1 575470298 352283203 /nfs/dbraw/zinc/28/32/03/352283203.db2.gz IHMPYHRHQBCJKK-SDLBARTOSA-N 0 0 176.668 2.204 10 30 AEEERN O=C[C@H](O)c1ccc2sccc2c1 575470357 352283208 /nfs/dbraw/zinc/28/32/08/352283208.db2.gz OKWPCBNJIVIXOG-VIFPVBQESA-N 0 0 192.239 2.134 10 30 AEEERN CCc1cc(C#N)c(N)cc1Cl 575470785 352284812 /nfs/dbraw/zinc/28/48/12/352284812.db2.gz QHLLKCZNAFNUFG-UHFFFAOYSA-N 0 0 180.638 2.356 10 30 AEEERN N#Cc1cccc(C(=O)/C=C/Cl)c1 575470832 352284936 /nfs/dbraw/zinc/28/49/36/352284936.db2.gz BZNIJZIMIZLPGB-SNAWJCMRSA-N 0 0 191.617 2.493 10 30 AEEERN C/C=C/C(=O)C1(C(F)F)CC1 575471005 352285497 /nfs/dbraw/zinc/28/54/97/352285497.db2.gz ZQWYUWZORNEBBI-NSCUHMNNSA-N 0 0 160.163 2.177 10 30 AEEERN CC#CCC(=O)C(F)(F)CC 575471573 352286769 /nfs/dbraw/zinc/28/67/69/352286769.db2.gz UHBUXTLFWKLOAL-UHFFFAOYSA-N 0 0 160.163 2.014 10 30 AEEERN O=C(/C=C/Cl)c1ccns1 575471661 352287506 /nfs/dbraw/zinc/28/75/06/352287506.db2.gz RWVCHBLAAWFVNL-HNQUOIGGSA-N 0 0 173.624 2.078 10 30 AEEERN SCc1ncccc1Cl 575471728 352287277 /nfs/dbraw/zinc/28/72/77/352287277.db2.gz XIUJQUCMHXYENP-UHFFFAOYSA-N 0 0 159.641 2.165 10 30 AEEERN CCSc1c(N)ccc(F)c1C#N 575471998 352288871 /nfs/dbraw/zinc/28/88/71/352288871.db2.gz DBMUEYNBVABKKN-UHFFFAOYSA-N 0 0 196.250 2.392 10 30 AEEERN C=C(Cl)CC(=O)C1CSC1 575472183 352289446 /nfs/dbraw/zinc/28/94/46/352289446.db2.gz FRJPGSRGUDDOQL-UHFFFAOYSA-N 0 0 176.668 2.061 10 30 AEEERN C=C1CN(c2ccc(Cl)cc2N)C1 575472274 352290414 /nfs/dbraw/zinc/29/04/14/352290414.db2.gz RMRKRITYYIRRAT-UHFFFAOYSA-N 0 0 194.665 2.298 10 30 AEEERN N#CCNc1cccc(F)c1Cl 575478272 352294649 /nfs/dbraw/zinc/29/46/49/352294649.db2.gz XUVDEDRVBZGYFL-UHFFFAOYSA-N 0 0 184.601 2.415 10 30 AEEERN N#C[C@@H](N)c1cc2cscc2s1 575478514 352296128 /nfs/dbraw/zinc/29/61/28/352296128.db2.gz HHECWTUCRYNHCK-ZCFIWIBFSA-N 0 0 194.284 2.486 10 30 AEEERN N#C[C@H](N)c1cc2cscc2s1 575478509 352296197 /nfs/dbraw/zinc/29/61/97/352296197.db2.gz HHECWTUCRYNHCK-LURJTMIESA-N 0 0 194.284 2.486 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCC12CCCC2 575478959 352298025 /nfs/dbraw/zinc/29/80/25/352298025.db2.gz KUDKZSZWKDQQBQ-VHSXEESVSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H](C#N)N[C@H]1CCC12CCCC2 575478961 352298081 /nfs/dbraw/zinc/29/80/81/352298081.db2.gz KUDKZSZWKDQQBQ-ZJUUUORDSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCC12CCCC2 575478945 352298111 /nfs/dbraw/zinc/29/81/11/352298111.db2.gz KUDKZSZWKDQQBQ-NXEZZACHSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCC12CCCC2 575478954 352298143 /nfs/dbraw/zinc/29/81/43/352298143.db2.gz KUDKZSZWKDQQBQ-UWVGGRQHSA-N 0 0 178.279 2.211 10 30 AEEERN CCc1cc(NCC#N)ccc1F 575479167 352299491 /nfs/dbraw/zinc/29/94/91/352299491.db2.gz FQBGESAOTPPZMY-UHFFFAOYSA-N 0 0 178.210 2.324 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCC(F)(F)C1 575480194 352303243 /nfs/dbraw/zinc/30/32/43/352303243.db2.gz TVLIUWNCEQFDFV-HTQZYQBOSA-N 0 0 188.221 2.066 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCC(F)(F)C1 575480201 352303890 /nfs/dbraw/zinc/30/38/90/352303890.db2.gz TVLIUWNCEQFDFV-JGVFFNPUSA-N 0 0 188.221 2.066 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCC(F)(F)C1 575480202 352304014 /nfs/dbraw/zinc/30/40/14/352304014.db2.gz TVLIUWNCEQFDFV-SFYZADRCSA-N 0 0 188.221 2.066 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCC(F)(F)C1 575480203 352304230 /nfs/dbraw/zinc/30/42/30/352304230.db2.gz TVLIUWNCEQFDFV-YUMQZZPRSA-N 0 0 188.221 2.066 10 30 AEEERN C#CCOc1cc(F)c(Cl)cc1N 575480922 352308348 /nfs/dbraw/zinc/30/83/48/352308348.db2.gz MCHOFZBOPSHWIF-UHFFFAOYSA-N 0 0 199.612 2.073 10 30 AEEERN N#CCNc1ccc(C2CC2)cc1 575481020 352308652 /nfs/dbraw/zinc/30/86/52/352308652.db2.gz PFVCMIRXMUFHJF-UHFFFAOYSA-N 0 0 172.231 2.499 10 30 AEEERN C#CCNc1ccc(C)c(OC)c1 575481429 352311024 /nfs/dbraw/zinc/31/10/24/352311024.db2.gz SGDAYDNXJMLZAT-UHFFFAOYSA-N 0 0 175.231 2.049 10 30 AEEERN N#CCNc1cccc(C2CC2)c1 575482891 352318498 /nfs/dbraw/zinc/31/84/98/352318498.db2.gz YWLFMRVJMRTOCY-UHFFFAOYSA-N 0 0 172.231 2.499 10 30 AEEERN C=CC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575483118 352319400 /nfs/dbraw/zinc/31/94/00/352319400.db2.gz NYUUCNZYUHYVPX-KVSKUHBBSA-N 0 0 172.174 2.033 10 30 AEEERN C#CC(=O)c1csc(C(C)C)n1 575484203 352325349 /nfs/dbraw/zinc/32/53/49/352325349.db2.gz VNCJODHUZBGXBB-UHFFFAOYSA-N 0 0 179.244 2.082 10 30 AEEERN C=C(C)C(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575484310 352326568 /nfs/dbraw/zinc/32/65/68/352326568.db2.gz UBBODDJUUSQEAW-RNLVFQAGSA-N 0 0 186.201 2.423 10 30 AEEERN C=CC(=O)[C@H]1CCCSCC1 575485192 352330378 /nfs/dbraw/zinc/33/03/78/352330378.db2.gz LIKTUDNQQQHPSV-QMMMGPOBSA-N 0 0 170.277 2.275 10 30 AEEERN C=CC(=O)[C@@H]1CCCSCC1 575485191 352330673 /nfs/dbraw/zinc/33/06/73/352330673.db2.gz LIKTUDNQQQHPSV-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN O=C(C1=COCCC1)[C@@H]1CC12CC2 575485662 352332154 /nfs/dbraw/zinc/33/21/54/352332154.db2.gz BEJVDSREGIHWFD-VIFPVBQESA-N 0 0 178.231 2.050 10 30 AEEERN O=C(C1=COCCC1)[C@H]1CC12CC2 575485661 352332315 /nfs/dbraw/zinc/33/23/15/352332315.db2.gz BEJVDSREGIHWFD-SECBINFHSA-N 0 0 178.231 2.050 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CC12CC2 575485787 352332726 /nfs/dbraw/zinc/33/27/26/352332726.db2.gz COTDLHIZRQTZBL-QMMMGPOBSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)=CC(=O)[C@H]1CC12CC2 575485781 352333100 /nfs/dbraw/zinc/33/31/00/352333100.db2.gz COTDLHIZRQTZBL-MRVPVSSYSA-N 0 0 150.221 2.322 10 30 AEEERN C#CCC(=O)[C@@H]1CCCSCC1 575485888 352333464 /nfs/dbraw/zinc/33/34/64/352333464.db2.gz SHPXZQZQXDMLAG-SECBINFHSA-N 0 0 182.288 2.112 10 30 AEEERN C=C(C)C(=O)C(F)(F)CC 575485895 352333522 /nfs/dbraw/zinc/33/35/22/352333522.db2.gz CGNYOFDJHYVAJT-UHFFFAOYSA-N 0 0 148.152 2.177 10 30 AEEERN C#CCC(=O)[C@H]1CCCSCC1 575485891 352333717 /nfs/dbraw/zinc/33/37/17/352333717.db2.gz SHPXZQZQXDMLAG-VIFPVBQESA-N 0 0 182.288 2.112 10 30 AEEERN O=C1C=CO[C@]2(CCCSCC2)C1 575486130 352334460 /nfs/dbraw/zinc/33/44/60/352334460.db2.gz VDHZSTOYIYGZNU-JTQLQIEISA-N 0 0 198.287 2.145 10 30 AEEERN C=CC(=O)C1CC2(CCC2)C1 575486236 352335095 /nfs/dbraw/zinc/33/50/95/352335095.db2.gz GUZFRFPMTAVRML-UHFFFAOYSA-N 0 0 150.221 2.322 10 30 AEEERN O=C1C=CO[C@@]2(CCCSCC2)C1 575486139 352335220 /nfs/dbraw/zinc/33/52/20/352335220.db2.gz VDHZSTOYIYGZNU-SNVBAGLBSA-N 0 0 198.287 2.145 10 30 AEEERN C=CC(=O)C(C)(C)C(F)F 575486615 352337589 /nfs/dbraw/zinc/33/75/89/352337589.db2.gz FMWLKHUPYMWULK-UHFFFAOYSA-N 0 0 148.152 2.033 10 30 AEEERN O=C(C1=CCCCO1)[C@@H]1CC12CC2 575487099 352341264 /nfs/dbraw/zinc/34/12/64/352341264.db2.gz KNHLNDYLZLRGAW-QMMMGPOBSA-N 0 0 178.231 2.050 10 30 AEEERN O=C(C1=CCCCO1)[C@H]1CC12CC2 575487097 352341408 /nfs/dbraw/zinc/34/14/08/352341408.db2.gz KNHLNDYLZLRGAW-MRVPVSSYSA-N 0 0 178.231 2.050 10 30 AEEERN C#C[C@H](C)Nc1cncc(Cl)c1 575487259 352341851 /nfs/dbraw/zinc/34/18/51/352341851.db2.gz BFAVYCMMXXPHNE-ZETCQYMHSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@@H](C)Nc1cncc(Cl)c1 575487258 352342071 /nfs/dbraw/zinc/34/20/71/352342071.db2.gz BFAVYCMMXXPHNE-SSDOTTSWSA-N 0 0 180.638 2.169 10 30 AEEERN C#C[C@@H](C)Nc1cncc(Cl)c1C 575487661 352344055 /nfs/dbraw/zinc/34/40/55/352344055.db2.gz FHYODRQWMJGIAB-SSDOTTSWSA-N 0 0 194.665 2.477 10 30 AEEERN C#C[C@H](C)Nc1cncc(Cl)c1C 575487662 352344263 /nfs/dbraw/zinc/34/42/63/352344263.db2.gz FHYODRQWMJGIAB-ZETCQYMHSA-N 0 0 194.665 2.477 10 30 AEEERN C#CCC(=O)C1CC2(CCC2)C1 575487981 352346441 /nfs/dbraw/zinc/34/64/41/352346441.db2.gz XRBKVINWWRGKEQ-UHFFFAOYSA-N 0 0 162.232 2.159 10 30 AEEERN Cc1c(Cl)cncc1NCCC#N 575488110 352346753 /nfs/dbraw/zinc/34/67/53/352346753.db2.gz JHXPQFALBHBPFM-UHFFFAOYSA-N 0 0 195.653 2.369 10 30 AEEERN C#CCNc1cncc(Cl)c1C 575488118 352346769 /nfs/dbraw/zinc/34/67/69/352346769.db2.gz JPQSJLGECPPRIQ-UHFFFAOYSA-N 0 0 180.638 2.089 10 30 AEEERN C#CCCNc1cncc(Cl)c1C 575488148 352346785 /nfs/dbraw/zinc/34/67/85/352346785.db2.gz JZJZCBJTCKHQPJ-UHFFFAOYSA-N 0 0 194.665 2.479 10 30 AEEERN CC[C@@H](C#N)Nc1cncc(Cl)c1 575488070 352346974 /nfs/dbraw/zinc/34/69/74/352346974.db2.gz IKCXKDBUSNQVEY-QMMMGPOBSA-N 0 0 195.653 2.449 10 30 AEEERN CC[C@H](C#N)Nc1cncc(Cl)c1 575488066 352347108 /nfs/dbraw/zinc/34/71/08/352347108.db2.gz IKCXKDBUSNQVEY-MRVPVSSYSA-N 0 0 195.653 2.449 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575488203 352347668 /nfs/dbraw/zinc/34/76/68/352347668.db2.gz KLJLHJVABYFANR-KYXWUPHJSA-N 0 0 177.247 2.151 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 575488223 352347467 /nfs/dbraw/zinc/34/74/67/352347467.db2.gz KLJLHJVABYFANR-UTINFBMNSA-N 0 0 177.247 2.151 10 30 AEEERN C=C(C)CC(=O)[C@@H]1CC12CC2 575488836 352350589 /nfs/dbraw/zinc/35/05/89/352350589.db2.gz YFZKFVDZZIYGBG-QMMMGPOBSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@H](C#N)CNc1cncc(Cl)c1 575488885 352350637 /nfs/dbraw/zinc/35/06/37/352350637.db2.gz SMMBHTVGLYPSPC-SSDOTTSWSA-N 0 0 195.653 2.307 10 30 AEEERN C[C@@H](C#N)CNc1cncc(Cl)c1 575488887 352350755 /nfs/dbraw/zinc/35/07/55/352350755.db2.gz SMMBHTVGLYPSPC-ZETCQYMHSA-N 0 0 195.653 2.307 10 30 AEEERN C=C(C)CC(=O)[C@H]1CC12CC2 575488835 352350766 /nfs/dbraw/zinc/35/07/66/352350766.db2.gz YFZKFVDZZIYGBG-MRVPVSSYSA-N 0 0 150.221 2.322 10 30 AEEERN N#CCCNc1cncc(Cl)c1 575488871 352350774 /nfs/dbraw/zinc/35/07/74/352350774.db2.gz RYTBFYSKZVARDA-UHFFFAOYSA-N 0 0 181.626 2.061 10 30 AEEERN C[C@H](CC#N)Nc1cncc(Cl)c1 575488785 352350780 /nfs/dbraw/zinc/35/07/80/352350780.db2.gz RKFIIAHUUUXYDO-SSDOTTSWSA-N 0 0 195.653 2.449 10 30 AEEERN CC#CCNc1cncc(Cl)c1C 575488869 352350799 /nfs/dbraw/zinc/35/07/99/352350799.db2.gz RVVPUWMCRXWYJY-UHFFFAOYSA-N 0 0 194.665 2.479 10 30 AEEERN C[C@@H](CC#N)Nc1cncc(Cl)c1 575488786 352350837 /nfs/dbraw/zinc/35/08/37/352350837.db2.gz RKFIIAHUUUXYDO-ZETCQYMHSA-N 0 0 195.653 2.449 10 30 AEEERN C=CCNc1cncc(Cl)c1 575489080 352351811 /nfs/dbraw/zinc/35/18/11/352351811.db2.gz XYPXRFHIZCLEDM-UHFFFAOYSA-N 0 0 168.627 2.333 10 30 AEEERN Cc1c(Cl)cncc1N[C@H](C)C#N 575489114 352351841 /nfs/dbraw/zinc/35/18/41/352351841.db2.gz YWDMVPJQZNYTCV-ZCFIWIBFSA-N 0 0 195.653 2.367 10 30 AEEERN Cc1c(Cl)cncc1N[C@@H](C)C#N 575489113 352351878 /nfs/dbraw/zinc/35/18/78/352351878.db2.gz YWDMVPJQZNYTCV-LURJTMIESA-N 0 0 195.653 2.367 10 30 AEEERN CC#CCNc1cncc(Cl)c1 575489076 352351985 /nfs/dbraw/zinc/35/19/85/352351985.db2.gz XRAFANCFMYGZAI-UHFFFAOYSA-N 0 0 180.638 2.170 10 30 AEEERN CC(C)[C@H]1CCCCC[C@]1(N)C#N 575489363 352353099 /nfs/dbraw/zinc/35/30/99/352353099.db2.gz HQEKGSDGFYUDIU-MNOVXSKESA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)[C@@H]1CCCCC[C@@]1(N)C#N 575489365 352353128 /nfs/dbraw/zinc/35/31/28/352353128.db2.gz HQEKGSDGFYUDIU-WDEREUQCSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)[C@@H]1CCCCC[C@]1(N)C#N 575489364 352353166 /nfs/dbraw/zinc/35/31/66/352353166.db2.gz HQEKGSDGFYUDIU-QWRGUYRKSA-N 0 0 180.295 2.444 10 30 AEEERN CC(C)[C@H]1CCCCC[C@@]1(N)C#N 575489362 352353229 /nfs/dbraw/zinc/35/32/29/352353229.db2.gz HQEKGSDGFYUDIU-GHMZBOCLSA-N 0 0 180.295 2.444 10 30 AEEERN CN[C@]1(C#N)CCCCC[C@H]1C 575489551 352353800 /nfs/dbraw/zinc/35/38/00/352353800.db2.gz KDDFCGNGXFSJIK-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN CN[C@@]1(C#N)CCCCC[C@H]1C 575489546 352353861 /nfs/dbraw/zinc/35/38/61/352353861.db2.gz KDDFCGNGXFSJIK-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CN[C@]1(C#N)CCCCC[C@@H]1C 575489548 352354138 /nfs/dbraw/zinc/35/41/38/352354138.db2.gz KDDFCGNGXFSJIK-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN CN[C@@]1(C#N)CCCCC[C@@H]1C 575489550 352354151 /nfs/dbraw/zinc/35/41/51/352354151.db2.gz KDDFCGNGXFSJIK-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CCN[C@]1(C#N)CCCCC[C@@H]1C 575489789 352354546 /nfs/dbraw/zinc/35/45/46/352354546.db2.gz MKUIWZUXYWEAFW-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@]1(C#N)CCCCC[C@H]1C 575489788 352354703 /nfs/dbraw/zinc/35/47/03/352354703.db2.gz MKUIWZUXYWEAFW-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@@]1(C#N)CCCCC[C@H]1C 575489787 352354730 /nfs/dbraw/zinc/35/47/30/352354730.db2.gz MKUIWZUXYWEAFW-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CCN[C@@]1(C#N)CCCCC[C@@H]1C 575489790 352354798 /nfs/dbraw/zinc/35/47/98/352354798.db2.gz MKUIWZUXYWEAFW-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H]1CCCCC[C@]1(N)C#N 575489869 352355394 /nfs/dbraw/zinc/35/53/94/352355394.db2.gz OMUWJBHKPWPSCW-ZJUUUORDSA-N 0 0 166.268 2.198 10 30 AEEERN CC[C@H]1CCCCC[C@]1(N)C#N 575489862 352355489 /nfs/dbraw/zinc/35/54/89/352355489.db2.gz OMUWJBHKPWPSCW-UWVGGRQHSA-N 0 0 166.268 2.198 10 30 AEEERN CC[C@H]1CCCCC[C@@]1(N)C#N 575489865 352355579 /nfs/dbraw/zinc/35/55/79/352355579.db2.gz OMUWJBHKPWPSCW-VHSXEESVSA-N 0 0 166.268 2.198 10 30 AEEERN CC[C@@H]1CCCCC[C@@]1(N)C#N 575489859 352355585 /nfs/dbraw/zinc/35/55/85/352355585.db2.gz OMUWJBHKPWPSCW-NXEZZACHSA-N 0 0 166.268 2.198 10 30 AEEERN CC[C@H]1CCCCC[C@@]1(C#N)NC 575490134 352355989 /nfs/dbraw/zinc/35/59/89/352355989.db2.gz XTRCLPCLTXLISA-QWRGUYRKSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H]1CCCCC[C@@]1(C#N)NC 575490133 352356031 /nfs/dbraw/zinc/35/60/31/352356031.db2.gz XTRCLPCLTXLISA-MNOVXSKESA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@H]1CCCCC[C@]1(C#N)NC 575490135 352356110 /nfs/dbraw/zinc/35/61/10/352356110.db2.gz XTRCLPCLTXLISA-WDEREUQCSA-N 0 0 180.295 2.458 10 30 AEEERN CC[C@@H]1CCCCC[C@]1(C#N)NC 575490132 352356138 /nfs/dbraw/zinc/35/61/38/352356138.db2.gz XTRCLPCLTXLISA-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN CO[C@]1(C=O)CCCCC[C@H]1C 575490213 352356754 /nfs/dbraw/zinc/35/67/54/352356754.db2.gz ZJXXUUPVOUCFOI-ZJUUUORDSA-N 0 0 170.252 2.171 10 30 AEEERN CO[C@]1(C=O)CCCCC[C@@H]1C 575490211 352356791 /nfs/dbraw/zinc/35/67/91/352356791.db2.gz ZJXXUUPVOUCFOI-UWVGGRQHSA-N 0 0 170.252 2.171 10 30 AEEERN CO[C@@]1(C=O)CCCCC[C@H]1C 575490210 352356829 /nfs/dbraw/zinc/35/68/29/352356829.db2.gz ZJXXUUPVOUCFOI-NXEZZACHSA-N 0 0 170.252 2.171 10 30 AEEERN CO[C@@]1(C=O)CCCCC[C@@H]1C 575490212 352356856 /nfs/dbraw/zinc/35/68/56/352356856.db2.gz ZJXXUUPVOUCFOI-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN CC#CCC(=O)C1CC(C)C1 575490396 352357453 /nfs/dbraw/zinc/35/74/53/352357453.db2.gz DMQUQSOYIFERIO-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN C=CCC(=O)C1CC(C)C1 575490506 352358239 /nfs/dbraw/zinc/35/82/39/352358239.db2.gz GLOWAEQRMOSIDR-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ncc(C2=CCCC2=O)s1 575490919 352359340 /nfs/dbraw/zinc/35/93/40/352359340.db2.gz OQSVXPKVLXOLSB-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN C#CCCC(=O)C1CC(C)C1 575490913 352359358 /nfs/dbraw/zinc/35/93/58/352359358.db2.gz OJHSODZHOCELPE-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN CC1CC(C(=O)C2=CCCCO2)C1 575491112 352360908 /nfs/dbraw/zinc/36/09/08/352360908.db2.gz QZYVZDYCMUNUHP-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN CC1CC(C(=O)C2=COCCC2)C1 575491412 352361867 /nfs/dbraw/zinc/36/18/67/352361867.db2.gz VKQZALWNYGMIGG-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN C/C=C/C(=O)c1cnc(C)s1 575491405 352362019 /nfs/dbraw/zinc/36/20/19/352362019.db2.gz VGGQHPQRYHFMOC-ONEGZZNKSA-N 0 0 167.233 2.210 10 30 AEEERN C[C@H](C#N)C(=O)C1CC2(CCC2)C1 575491446 352362182 /nfs/dbraw/zinc/36/21/82/352362182.db2.gz WQBJCRYGOQVKOX-MRVPVSSYSA-N 0 0 177.247 2.295 10 30 AEEERN C[C@@H](C#N)C(=O)C1CC2(CCC2)C1 575491447 352362311 /nfs/dbraw/zinc/36/23/11/352362311.db2.gz WQBJCRYGOQVKOX-QMMMGPOBSA-N 0 0 177.247 2.295 10 30 AEEERN Cc1ncc(C2=CC(=O)CC2)s1 575491493 352362760 /nfs/dbraw/zinc/36/27/60/352362760.db2.gz XKDXLWBKXVNUDX-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN C=C(C)C(=O)C1CC(C)C1 575491751 352364370 /nfs/dbraw/zinc/36/43/70/352364370.db2.gz ZXXVFNRIWQYPRQ-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@@H]1C[C@H]1C1CC1 575492135 352366281 /nfs/dbraw/zinc/36/62/81/352366281.db2.gz XNTQDSBARHCZTA-DTWKUNHWSA-N 0 0 150.221 2.178 10 30 AEEERN C=CC(=O)c1csc(CC)n1 575492126 352366320 /nfs/dbraw/zinc/36/63/20/352366320.db2.gz WZZAYCRMUUFVGT-UHFFFAOYSA-N 0 0 167.233 2.074 10 30 AEEERN C=C(C)C(=O)[C@H]1C[C@H]1C1CC1 575492136 352366375 /nfs/dbraw/zinc/36/63/75/352366375.db2.gz XNTQDSBARHCZTA-IUCAKERBSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)C(=O)[C@H]1C[C@@H]1C1CC1 575492134 352366409 /nfs/dbraw/zinc/36/64/09/352366409.db2.gz XNTQDSBARHCZTA-BDAKNGLRSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)C(=O)[C@@H]1C[C@@H]1C1CC1 575492137 352366422 /nfs/dbraw/zinc/36/64/22/352366422.db2.gz XNTQDSBARHCZTA-RKDXNWHRSA-N 0 0 150.221 2.178 10 30 AEEERN O=C1C=C(Cc2ccns2)CCC1 575492298 352366844 /nfs/dbraw/zinc/36/68/44/352366844.db2.gz AIMMVANCGSYUNZ-UHFFFAOYSA-N 0 0 193.271 2.365 10 30 AEEERN C=C(C)[C@H](O)c1ccc(C)c(N)c1 575494952 352381017 /nfs/dbraw/zinc/38/10/17/352381017.db2.gz UCPFJPOVFMKOLL-NSHDSACASA-N 0 0 177.247 2.187 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(C)c(N)c1 575494951 352381024 /nfs/dbraw/zinc/38/10/24/352381024.db2.gz UCPFJPOVFMKOLL-LLVKDONJSA-N 0 0 177.247 2.187 10 30 AEEERN C=C[C@@H](O)c1cc(N)cc(Cl)c1 575495079 352381658 /nfs/dbraw/zinc/38/16/58/352381658.db2.gz WLJNAMBZQXABJN-SECBINFHSA-N 0 0 183.638 2.142 10 30 AEEERN C=C[C@H](O)c1cc(N)cc(Cl)c1 575495084 352381678 /nfs/dbraw/zinc/38/16/78/352381678.db2.gz WLJNAMBZQXABJN-VIFPVBQESA-N 0 0 183.638 2.142 10 30 AEEERN C=C(C)[C@H](O)c1cc(N)ccc1F 575495289 352381913 /nfs/dbraw/zinc/38/19/13/352381913.db2.gz YLVLVPRUROKUKZ-JTQLQIEISA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)[C@@H](O)c1cc(N)ccc1F 575495290 352382267 /nfs/dbraw/zinc/38/22/67/352382267.db2.gz YLVLVPRUROKUKZ-SNVBAGLBSA-N 0 0 181.210 2.017 10 30 AEEERN CC#CCC(=O)[C@@H]1CCC[C@H]2C[C@H]21 575495797 352383325 /nfs/dbraw/zinc/38/33/25/352383325.db2.gz BSJPBGXFACKCLP-HBNTYKKESA-N 0 0 176.259 2.405 10 30 AEEERN C=C(C)C(=O)c1c(F)cncc1F 575495848 352383366 /nfs/dbraw/zinc/38/33/66/352383366.db2.gz CSHUGICEBMEVQF-UHFFFAOYSA-N 0 0 183.157 2.119 10 30 AEEERN CC#CCC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575495798 352383513 /nfs/dbraw/zinc/38/35/13/352383513.db2.gz BSJPBGXFACKCLP-MXWKQRLJSA-N 0 0 176.259 2.405 10 30 AEEERN C#C[C@H](C)Nc1ncc(Cl)cc1C 575496035 352384003 /nfs/dbraw/zinc/38/40/03/352384003.db2.gz HVUFCAFICYKZJJ-QMMMGPOBSA-N 0 0 194.665 2.477 10 30 AEEERN C#C[C@@H](C)Nc1ncc(Cl)cc1C 575496034 352384127 /nfs/dbraw/zinc/38/41/27/352384127.db2.gz HVUFCAFICYKZJJ-MRVPVSSYSA-N 0 0 194.665 2.477 10 30 AEEERN C=C(C)C(=O)C[C@@H]1CC1(F)F 575496202 352384605 /nfs/dbraw/zinc/38/46/05/352384605.db2.gz GCHVGUZJWAGIMU-ZCFIWIBFSA-N 0 0 160.163 2.177 10 30 AEEERN C=C(C)C(=O)C[C@H]1CC1(F)F 575496198 352384627 /nfs/dbraw/zinc/38/46/27/352384627.db2.gz GCHVGUZJWAGIMU-LURJTMIESA-N 0 0 160.163 2.177 10 30 AEEERN C=CC(=O)[C@@H]1CCC[C@H]2C[C@H]21 575496422 352385973 /nfs/dbraw/zinc/38/59/73/352385973.db2.gz NMPJBMUNPSVRFE-DJLDLDEBSA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)(C=O)C[C@H]1CC1(F)F 575496450 352386025 /nfs/dbraw/zinc/38/60/25/352386025.db2.gz KYVUMMRZSXFKNH-LURJTMIESA-N 0 0 162.179 2.257 10 30 AEEERN CC(C)(C=O)C[C@@H]1CC1(F)F 575496451 352386150 /nfs/dbraw/zinc/38/61/50/352386150.db2.gz KYVUMMRZSXFKNH-ZCFIWIBFSA-N 0 0 162.179 2.257 10 30 AEEERN C=CC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575496423 352386161 /nfs/dbraw/zinc/38/61/61/352386161.db2.gz NMPJBMUNPSVRFE-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN C#CCC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575496620 352386504 /nfs/dbraw/zinc/38/65/04/352386504.db2.gz QCUDSRJQKWVBHA-BBBLOLIVSA-N 0 0 162.232 2.015 10 30 AEEERN C#CCC(=O)[C@@H]1CCC[C@H]2C[C@H]21 575496621 352386622 /nfs/dbraw/zinc/38/66/22/352386622.db2.gz QCUDSRJQKWVBHA-IVZWLZJFSA-N 0 0 162.232 2.015 10 30 AEEERN CC=CC(=O)C[C@H]1CC1(F)F 575496955 352387565 /nfs/dbraw/zinc/38/75/65/352387565.db2.gz PTBASALOXKTHSL-SZKDQXIBSA-N 0 0 160.163 2.177 10 30 AEEERN CC=CC(=O)C[C@@H]1CC1(F)F 575496956 352387592 /nfs/dbraw/zinc/38/75/92/352387592.db2.gz PTBASALOXKTHSL-YRFDSLTASA-N 0 0 160.163 2.177 10 30 AEEERN O=CC1(C[C@@H]2CC2(F)F)CC1 575497290 352388978 /nfs/dbraw/zinc/38/89/78/352388978.db2.gz UAXYDWSMMGMUMT-ZCFIWIBFSA-N 0 0 160.163 2.011 10 30 AEEERN O=CC1(C[C@H]2CC2(F)F)CC1 575497289 352389110 /nfs/dbraw/zinc/38/91/10/352389110.db2.gz UAXYDWSMMGMUMT-LURJTMIESA-N 0 0 160.163 2.011 10 30 AEEERN C#C[C@@H]([NH3+])[C@@]1(C)CC[C@@H](C)C1(C)C 575497337 352389427 /nfs/dbraw/zinc/38/94/27/352389427.db2.gz XDJAMZQLTDSNRG-CKYFFXLPSA-N 0 0 179.307 2.409 10 30 AEEERN C#C[C@H]([NH3+])[C@]1(C)CC[C@@H](C)C1(C)C 575497341 352389574 /nfs/dbraw/zinc/38/95/74/352389574.db2.gz XDJAMZQLTDSNRG-SCVCMEIPSA-N 0 0 179.307 2.409 10 30 AEEERN C#C[C@H]([NH3+])[C@@]1(C)CC[C@@H](C)C1(C)C 575497339 352389584 /nfs/dbraw/zinc/38/95/84/352389584.db2.gz XDJAMZQLTDSNRG-JFGNBEQYSA-N 0 0 179.307 2.409 10 30 AEEERN N#CC1(CNc2ccsc2)CC1 575497371 352389637 /nfs/dbraw/zinc/38/96/37/352389637.db2.gz XJDSJWVTXNMLKC-UHFFFAOYSA-N 0 0 178.260 2.464 10 30 AEEERN C#C[C@H]([NH3+])[C@]1(C)CC[C@H](C)C1(C)C 575497340 352389697 /nfs/dbraw/zinc/38/96/97/352389697.db2.gz XDJAMZQLTDSNRG-NHCYSSNCSA-N 0 0 179.307 2.409 10 30 AEEERN C#C[C@H]([NH3+])[C@@]1(C)CC[C@H](C)C1(C)C 575497338 352389715 /nfs/dbraw/zinc/38/97/15/352389715.db2.gz XDJAMZQLTDSNRG-JBLDHEPKSA-N 0 0 179.307 2.409 10 30 AEEERN C/C=C/C(=O)c1c(F)cncc1F 575497597 352390442 /nfs/dbraw/zinc/39/04/42/352390442.db2.gz ZJQCJWVUGITWCK-NSCUHMNNSA-N 0 0 183.157 2.119 10 30 AEEERN CC(C)(C=O)[C@H]1CCCC[C@@]1(C)O 575498654 352395685 /nfs/dbraw/zinc/39/56/85/352395685.db2.gz SDQVDFQQKBRJSO-MWLCHTKSSA-N 0 0 184.279 2.153 10 30 AEEERN CC(C)(C=O)[C@@H]1CCCC[C@@]1(C)O 575498652 352395688 /nfs/dbraw/zinc/39/56/88/352395688.db2.gz SDQVDFQQKBRJSO-GXSJLCMTSA-N 0 0 184.279 2.153 10 30 AEEERN CC(C)(C=O)[C@@H]1CCCC[C@]1(C)O 575498655 352395802 /nfs/dbraw/zinc/39/58/02/352395802.db2.gz SDQVDFQQKBRJSO-ONGXEEELSA-N 0 0 184.279 2.153 10 30 AEEERN CC(C)=CC(=O)c1nc(C)c(C)[nH]1 575498753 352396736 /nfs/dbraw/zinc/39/67/36/352396736.db2.gz YZDFZTXVHBLZAW-UHFFFAOYSA-N 0 0 178.235 2.175 10 30 AEEERN C=C(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575499639 352402157 /nfs/dbraw/zinc/40/21/57/352402157.db2.gz BLHSBVRVQYYHQD-BRPSZJMVSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1CCN(c2cccc(N)c2)C1 575499634 352402243 /nfs/dbraw/zinc/40/22/43/352402243.db2.gz ABIHPDOKUBVKMJ-UHFFFAOYSA-N 0 0 174.247 2.035 10 30 AEEERN CC(C)[C@@]1(C=O)CCOC1(C)C 575499820 352403764 /nfs/dbraw/zinc/40/37/64/352403764.db2.gz FRJJVLCAZHZGIO-JTQLQIEISA-N 0 0 170.252 2.027 10 30 AEEERN C=C1CN(c2cc(Cl)ccc2N)C1 575499879 352403801 /nfs/dbraw/zinc/40/38/01/352403801.db2.gz BMOWPNROCIDURP-UHFFFAOYSA-N 0 0 194.665 2.298 10 30 AEEERN CC(C)[C@]1(C=O)CCOC1(C)C 575499837 352403964 /nfs/dbraw/zinc/40/39/64/352403964.db2.gz FRJJVLCAZHZGIO-SNVBAGLBSA-N 0 0 170.252 2.027 10 30 AEEERN O=C(/C=C/Cl)c1ccc(O)c(O)c1 575500003 352404503 /nfs/dbraw/zinc/40/45/03/352404503.db2.gz BOYQVNSXBOBGAK-ONEGZZNKSA-N 0 0 198.605 2.033 10 30 AEEERN C=C(C)[C@H](O)c1cccc(F)c1N 575500094 352405490 /nfs/dbraw/zinc/40/54/90/352405490.db2.gz CZXUHVOFESBHTC-JTQLQIEISA-N 0 0 181.210 2.017 10 30 AEEERN C=C(C)[C@@H](O)c1cccc(F)c1N 575500095 352405663 /nfs/dbraw/zinc/40/56/63/352405663.db2.gz CZXUHVOFESBHTC-SNVBAGLBSA-N 0 0 181.210 2.017 10 30 AEEERN O=C(/C=C/Cl)c1cccc(O)c1 575500510 352407625 /nfs/dbraw/zinc/40/76/25/352407625.db2.gz GDTFOSHWLRUTHP-SNAWJCMRSA-N 0 0 182.606 2.327 10 30 AEEERN C=CCC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575500980 352409483 /nfs/dbraw/zinc/40/94/83/352409483.db2.gz RHWABWOEKSLKSA-BRPSZJMVSA-N 0 0 150.221 2.178 10 30 AEEERN C=C1CN(c2cccc(Cl)c2N)C1 575501188 352410217 /nfs/dbraw/zinc/41/02/17/352410217.db2.gz KCDOXTQXISLWLA-UHFFFAOYSA-N 0 0 194.665 2.298 10 30 AEEERN CC#CCC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575501288 352411239 /nfs/dbraw/zinc/41/12/39/352411239.db2.gz WUWLIFZHWWIVOE-MYJAWHEDSA-N 0 0 162.232 2.015 10 30 AEEERN C=C1CCN(c2ccc(N)cc2)C1 575501826 352414016 /nfs/dbraw/zinc/41/40/16/352414016.db2.gz OHOKNAHDWAFKLH-UHFFFAOYSA-N 0 0 174.247 2.035 10 30 AEEERN C=C(C)C(=O)CC1CC=CC1 575501806 352414110 /nfs/dbraw/zinc/41/41/10/352414110.db2.gz PWAOWGUJICKGNF-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN C=C1CN(c2c(N)cccc2Cl)C1 575502167 352416188 /nfs/dbraw/zinc/41/61/88/352416188.db2.gz RZQJYMBQTZYZQO-UHFFFAOYSA-N 0 0 194.665 2.298 10 30 AEEERN N#Cc1ccc(C(=O)/C=C/Cl)cc1 575502213 352416185 /nfs/dbraw/zinc/41/61/85/352416185.db2.gz UUTYFAWIAFDCHK-AATRIKPKSA-N 0 0 191.617 2.493 10 30 AEEERN C=C(C)[C@@H](O)c1cc(C)ccc1N 575502254 352416202 /nfs/dbraw/zinc/41/62/02/352416202.db2.gz VGDXJXLTNGVWRP-LLVKDONJSA-N 0 0 177.247 2.187 10 30 AEEERN C=C(C)[C@H](O)c1cc(C)ccc1N 575502259 352416880 /nfs/dbraw/zinc/41/68/80/352416880.db2.gz VGDXJXLTNGVWRP-NSHDSACASA-N 0 0 177.247 2.187 10 30 AEEERN N#Cc1c(C2(Cl)CC2)csc1N 575502789 352418877 /nfs/dbraw/zinc/41/88/77/352418877.db2.gz ZAFUNBQWEUCFCF-UHFFFAOYSA-N 0 0 198.678 2.430 10 30 AEEERN C=C1CCN(c2ccc(C=O)s2)C1 575503424 352422545 /nfs/dbraw/zinc/42/25/45/352422545.db2.gz OZPNQKFZYWYKLF-UHFFFAOYSA-N 0 0 193.271 2.327 10 30 AEEERN C#CCC(=O)[C@@H](C)C1CCC1 575503929 352424392 /nfs/dbraw/zinc/42/43/92/352424392.db2.gz AFJHXXPRZFZCAX-QMMMGPOBSA-N 0 0 150.221 2.015 10 30 AEEERN C#CCC(=O)[C@H](C)C1CCC1 575503928 352424713 /nfs/dbraw/zinc/42/47/13/352424713.db2.gz AFJHXXPRZFZCAX-MRVPVSSYSA-N 0 0 150.221 2.015 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1C[C@@H]2C[C@@H]2C1 575504258 352425811 /nfs/dbraw/zinc/42/58/11/352425811.db2.gz GVENUCFXBCYTCO-RFLKHHCQSA-N 0 0 170.639 2.354 10 30 AEEERN C=C[C@H](O)c1cc(Cl)ccc1N 575504235 352426062 /nfs/dbraw/zinc/42/60/62/352426062.db2.gz GALTZXPYJANHFL-VIFPVBQESA-N 0 0 183.638 2.142 10 30 AEEERN C=C[C@@H](O)c1cc(Cl)ccc1N 575504234 352426118 /nfs/dbraw/zinc/42/61/18/352426118.db2.gz GALTZXPYJANHFL-SECBINFHSA-N 0 0 183.638 2.142 10 30 AEEERN C=CC(=O)[C@H](C)C1CCC1 575504442 352426757 /nfs/dbraw/zinc/42/67/57/352426757.db2.gz JVHYYDIOANFRFM-SSDOTTSWSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC(=O)[C@@H](C)C1CCC1 575504443 352426811 /nfs/dbraw/zinc/42/68/11/352426811.db2.gz JVHYYDIOANFRFM-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN O=CC[C@]1(O)CCC12CCCCC2 575504695 352428269 /nfs/dbraw/zinc/42/82/69/352428269.db2.gz DBTJZPJVCHTOQL-LLVKDONJSA-N 0 0 182.263 2.051 10 30 AEEERN O=CC[C@@]1(O)CCC12CCCCC2 575504696 352428528 /nfs/dbraw/zinc/42/85/28/352428528.db2.gz DBTJZPJVCHTOQL-NSHDSACASA-N 0 0 182.263 2.051 10 30 AEEERN O=C[C@H]1CCC12CCCC2 575505059 352429511 /nfs/dbraw/zinc/42/95/11/352429511.db2.gz IVSJLTXWWOQCGD-MRVPVSSYSA-N 0 0 138.210 2.156 10 30 AEEERN O=C[C@@H]1CCC12CCCC2 575505060 352429669 /nfs/dbraw/zinc/42/96/69/352429669.db2.gz IVSJLTXWWOQCGD-QMMMGPOBSA-N 0 0 138.210 2.156 10 30 AEEERN CC(C)=CC(=O)c1cnc(Cl)n1C 575507756 352443285 /nfs/dbraw/zinc/44/32/85/352443285.db2.gz MZXWNFMHOFZQRB-UHFFFAOYSA-N 0 0 198.653 2.222 10 30 AEEERN Cc1csc(S[C@H](C)C=O)n1 575510569 352460482 /nfs/dbraw/zinc/46/04/82/352460482.db2.gz GJZKFWXEANQDQJ-ZCFIWIBFSA-N 0 0 187.289 2.131 10 30 AEEERN Cc1csc(S[C@@H](C)C=O)n1 575510568 352460491 /nfs/dbraw/zinc/46/04/91/352460491.db2.gz GJZKFWXEANQDQJ-LURJTMIESA-N 0 0 187.289 2.131 10 30 AEEERN Cc1occc1S[C@@H](C)C=O 575510564 352460538 /nfs/dbraw/zinc/46/05/38/352460538.db2.gz GFQZNWXREXGNOD-LURJTMIESA-N 0 0 170.233 2.268 10 30 AEEERN CCO/C=C1/CC2(CCC1=O)CC2 575510550 352460552 /nfs/dbraw/zinc/46/05/52/352460552.db2.gz FTFOSLJBXXMCIV-HJWRWDBZSA-N 0 0 180.247 2.440 10 30 AEEERN C[C@@H](C=O)Sc1cccs1 575510578 352460597 /nfs/dbraw/zinc/46/05/97/352460597.db2.gz GWUIPHFPCREYNI-LURJTMIESA-N 0 0 172.274 2.428 10 30 AEEERN Cc1occc1S[C@H](C)C=O 575510565 352460649 /nfs/dbraw/zinc/46/06/49/352460649.db2.gz GFQZNWXREXGNOD-ZCFIWIBFSA-N 0 0 170.233 2.268 10 30 AEEERN C[C@H](C=O)Sc1cccs1 575510579 352461415 /nfs/dbraw/zinc/46/14/15/352461415.db2.gz GWUIPHFPCREYNI-ZCFIWIBFSA-N 0 0 172.274 2.428 10 30 AEEERN C[C@@H](C=O)SC1CCCC1 575510764 352462349 /nfs/dbraw/zinc/46/23/49/352462349.db2.gz MKWKKZCBUCNTAW-ZETCQYMHSA-N 0 0 158.266 2.250 10 30 AEEERN C[C@H](C=O)SC1CCCC1 575510763 352462511 /nfs/dbraw/zinc/46/25/11/352462511.db2.gz MKWKKZCBUCNTAW-SSDOTTSWSA-N 0 0 158.266 2.250 10 30 AEEERN N#CC1(N)CCC(C2CCC2)CC1 575511141 352464582 /nfs/dbraw/zinc/46/45/82/352464582.db2.gz BINADLZSFJWTCO-UHFFFAOYSA-N 0 0 178.279 2.198 10 30 AEEERN C[C@H](C=O)n1ccc2ccccc21 575511291 352465282 /nfs/dbraw/zinc/46/52/82/352465282.db2.gz QSSDOIHIEXJQST-SECBINFHSA-N 0 0 173.215 2.401 10 30 AEEERN C[C@@H](C=O)n1ccc2ccccc21 575511292 352465308 /nfs/dbraw/zinc/46/53/08/352465308.db2.gz QSSDOIHIEXJQST-VIFPVBQESA-N 0 0 173.215 2.401 10 30 AEEERN C[C@@H](C#N)N[C@@H]1CCCC2(CC2)C1 575511488 352467040 /nfs/dbraw/zinc/46/70/40/352467040.db2.gz FMAAUMKIMMRYHF-VHSXEESVSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H](C#N)N[C@H]1CCCC2(CC2)C1 575511489 352467035 /nfs/dbraw/zinc/46/70/35/352467035.db2.gz FMAAUMKIMMRYHF-ZJUUUORDSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H](C#N)N[C@@H]1CCCC2(CC2)C1 575511485 352467049 /nfs/dbraw/zinc/46/70/49/352467049.db2.gz FMAAUMKIMMRYHF-NXEZZACHSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H](C#N)N[C@H]1CCCC2(CC2)C1 575511487 352467117 /nfs/dbraw/zinc/46/71/17/352467117.db2.gz FMAAUMKIMMRYHF-UWVGGRQHSA-N 0 0 178.279 2.211 10 30 AEEERN CCNC1(C#N)CCC2(CC2)CC1 575511477 352467147 /nfs/dbraw/zinc/46/71/47/352467147.db2.gz FKPDNBZDVYWITQ-UHFFFAOYSA-N 0 0 178.279 2.212 10 30 AEEERN C[C@H](C#N)NC1CCC2(CC1)CC2 575511806 352468723 /nfs/dbraw/zinc/46/87/23/352468723.db2.gz JHCFKLGAMVPWIN-SECBINFHSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@@H](C#N)NC1CCC2(CC1)CC2 575511807 352468887 /nfs/dbraw/zinc/46/88/87/352468887.db2.gz JHCFKLGAMVPWIN-VIFPVBQESA-N 0 0 178.279 2.211 10 30 AEEERN N#CCC(=O)C1CCC2(CC1)CC2 575512280 352471642 /nfs/dbraw/zinc/47/16/42/352471642.db2.gz LZUVOWCRHXPVNW-UHFFFAOYSA-N 0 0 177.247 2.440 10 30 AEEERN C#CC(=O)C1CCC2(CC1)CC2 575512423 352472477 /nfs/dbraw/zinc/47/24/77/352472477.db2.gz OGSMXUSBAOMBNZ-UHFFFAOYSA-N 0 0 162.232 2.159 10 30 AEEERN O=C[C@@H]1CCCC2(CC2)C1 575512550 352472863 /nfs/dbraw/zinc/47/28/63/352472863.db2.gz QMOUYRJZOFWHLQ-MRVPVSSYSA-N 0 0 138.210 2.156 10 30 AEEERN N#CCC(=O)[C@@H]1CCCC2(CC2)C1 575512491 352472918 /nfs/dbraw/zinc/47/29/18/352472918.db2.gz PFDBSLAWNFDPJY-SECBINFHSA-N 0 0 177.247 2.440 10 30 AEEERN C#CC(=O)[C@H]1CCCC2(CC2)C1 575512553 352472923 /nfs/dbraw/zinc/47/29/23/352472923.db2.gz QSOSYXOCRVRVKF-VIFPVBQESA-N 0 0 162.232 2.159 10 30 AEEERN N#CCC(=O)[C@H]1CCCC2(CC2)C1 575512493 352472994 /nfs/dbraw/zinc/47/29/94/352472994.db2.gz PFDBSLAWNFDPJY-VIFPVBQESA-N 0 0 177.247 2.440 10 30 AEEERN O=C[C@H]1CCCC2(CC2)C1 575512551 352473201 /nfs/dbraw/zinc/47/32/01/352473201.db2.gz QMOUYRJZOFWHLQ-QMMMGPOBSA-N 0 0 138.210 2.156 10 30 AEEERN C#CC(=O)[C@@H]1CCCC2(CC2)C1 575512552 352473286 /nfs/dbraw/zinc/47/32/86/352473286.db2.gz QSOSYXOCRVRVKF-SECBINFHSA-N 0 0 162.232 2.159 10 30 AEEERN CN[C@]1(C#N)CCCC[C@H]1C1CC1 575512612 352473591 /nfs/dbraw/zinc/47/35/91/352473591.db2.gz RFFYQMRHQRNBFS-QWRGUYRKSA-N 0 0 178.279 2.068 10 30 AEEERN CN[C@@]1(C#N)CCCC[C@H]1C1CC1 575512613 352473623 /nfs/dbraw/zinc/47/36/23/352473623.db2.gz RFFYQMRHQRNBFS-WDEREUQCSA-N 0 0 178.279 2.068 10 30 AEEERN CN[C@]1(C#N)CCCC[C@@H]1C1CC1 575512609 352473682 /nfs/dbraw/zinc/47/36/82/352473682.db2.gz RFFYQMRHQRNBFS-MNOVXSKESA-N 0 0 178.279 2.068 10 30 AEEERN CN[C@@]1(C#N)CCCC[C@@H]1C1CC1 575512608 352473697 /nfs/dbraw/zinc/47/36/97/352473697.db2.gz RFFYQMRHQRNBFS-GHMZBOCLSA-N 0 0 178.279 2.068 10 30 AEEERN CC1(C)CCC[C@@H](NCC#N)CC1 575512855 352475096 /nfs/dbraw/zinc/47/50/96/352475096.db2.gz TZWMNGOPPTVGCS-SNVBAGLBSA-N 0 0 180.295 2.458 10 30 AEEERN CC1(C)CCC[C@H](NCC#N)CC1 575512853 352475237 /nfs/dbraw/zinc/47/52/37/352475237.db2.gz TZWMNGOPPTVGCS-JTQLQIEISA-N 0 0 180.295 2.458 10 30 AEEERN O=C(/C=C/Cl)c1ccncc1F 575516700 352493932 /nfs/dbraw/zinc/49/39/32/352493932.db2.gz CGYCAZJGBFASOY-HNQUOIGGSA-N 0 0 185.585 2.156 10 30 AEEERN O=C1C=C(c2cncs2)CCC1 575516845 352494472 /nfs/dbraw/zinc/49/44/72/352494472.db2.gz DOAZXPPWTAPLGF-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN O=C1CCCC=C1c1cncs1 575516858 352494508 /nfs/dbraw/zinc/49/45/08/352494508.db2.gz FHZDFDAXWQWVJW-UHFFFAOYSA-N 0 0 179.244 2.280 10 30 AEEERN O=C(C1=CCCC1)c1cncs1 575516822 352494995 /nfs/dbraw/zinc/49/49/95/352494995.db2.gz DFLCNOBQLONFPE-UHFFFAOYSA-N 0 0 179.244 2.436 10 30 AEEERN CC/C=C/C(=O)c1cncs1 575517113 352495314 /nfs/dbraw/zinc/49/53/14/352495314.db2.gz FPFLTGPYZXNORT-ONEGZZNKSA-N 0 0 167.233 2.292 10 30 AEEERN O=C(/C=C/Cl)c1cncs1 575517036 352495343 /nfs/dbraw/zinc/49/53/43/352495343.db2.gz HTDGNEYXEJMDMZ-OWOJBTEDSA-N 0 0 173.624 2.078 10 30 AEEERN Cc1ncsc1C(=O)/C=C/Cl 575517070 352495392 /nfs/dbraw/zinc/49/53/92/352495392.db2.gz INPYYQMYBULZTH-NSCUHMNNSA-N 0 0 187.651 2.387 10 30 AEEERN Cc1cncc(C(=O)/C=C/Cl)c1 575517071 352495541 /nfs/dbraw/zinc/49/55/41/352495541.db2.gz INYVJOWHPJDOCW-NSCUHMNNSA-N 0 0 181.622 2.325 10 30 AEEERN O=C(/C=C/Cl)c1cc(O)ccc1O 575517248 352495977 /nfs/dbraw/zinc/49/59/77/352495977.db2.gz KEEREAPJLRSBDN-ONEGZZNKSA-N 0 0 198.605 2.033 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCSCC1 575517221 352496022 /nfs/dbraw/zinc/49/60/22/352496022.db2.gz COUULYZUHZNMGV-JTQLQIEISA-N 0 0 198.335 2.164 10 30 AEEERN CC(C)N[C@]1(C#N)CCCSCC1 575517222 352496136 /nfs/dbraw/zinc/49/61/36/352496136.db2.gz COUULYZUHZNMGV-SNVBAGLBSA-N 0 0 198.335 2.164 10 30 AEEERN O=C(/C=C/Cl)CC1CC1 575517272 352496594 /nfs/dbraw/zinc/49/65/94/352496594.db2.gz KKHZXBJJLAXMDT-ONEGZZNKSA-N 0 0 144.601 2.108 10 30 AEEERN Cc1ccc(C(=O)/C=C/Cl)cn1 575517323 352496814 /nfs/dbraw/zinc/49/68/14/352496814.db2.gz LPYPZNKKTZAXDA-SNAWJCMRSA-N 0 0 181.622 2.325 10 30 AEEERN C/C=C/C(=O)c1scnc1C 575517296 352496929 /nfs/dbraw/zinc/49/69/29/352496929.db2.gz DNODTLHZYQGMOW-ONEGZZNKSA-N 0 0 167.233 2.210 10 30 AEEERN C=C[C@H](O)c1ccc(N)c(Cl)c1 575517483 352497288 /nfs/dbraw/zinc/49/72/88/352497288.db2.gz OAXZEUCAUCLLQW-VIFPVBQESA-N 0 0 183.638 2.142 10 30 AEEERN C=C[C@@H](O)c1ccc(N)c(Cl)c1 575517481 352497314 /nfs/dbraw/zinc/49/73/14/352497314.db2.gz OAXZEUCAUCLLQW-SECBINFHSA-N 0 0 183.638 2.142 10 30 AEEERN CC1(C(=O)/C=C/Cl)CC1 575517610 352497885 /nfs/dbraw/zinc/49/78/85/352497885.db2.gz RGSJWRYORHLAPD-GORDUTHDSA-N 0 0 144.601 2.108 10 30 AEEERN Cc1ncccc1C(=O)/C=C/Cl 575517599 352497920 /nfs/dbraw/zinc/49/79/20/352497920.db2.gz QVFWBJWGYSMAPE-SNAWJCMRSA-N 0 0 181.622 2.325 10 30 AEEERN O=C(/C=C/Cl)CC1CCC1 575517600 352498037 /nfs/dbraw/zinc/49/80/37/352498037.db2.gz QVPORVKNUQXFOF-SNAWJCMRSA-N 0 0 158.628 2.498 10 30 AEEERN Cc1ncsc1C1=CC(=O)CC1 575517590 352498116 /nfs/dbraw/zinc/49/81/16/352498116.db2.gz LJLDKZAAXLXSDI-UHFFFAOYSA-N 0 0 179.244 2.198 10 30 AEEERN Cc1cccc(C(=O)/C=C/Cl)n1 575517598 352498175 /nfs/dbraw/zinc/49/81/75/352498175.db2.gz QRLCJRRUFJBBGP-AATRIKPKSA-N 0 0 181.622 2.325 10 30 AEEERN O=C(/C=C/Cl)c1cc(O)cc(O)c1 575517823 352498419 /nfs/dbraw/zinc/49/84/19/352498419.db2.gz VNVBQTRKRPNJBU-OWOJBTEDSA-N 0 0 198.605 2.033 10 30 AEEERN Cc1cccnc1C(=O)/C=C/Cl 575517825 352498451 /nfs/dbraw/zinc/49/84/51/352498451.db2.gz VPSXKGKWFYZOGP-SNAWJCMRSA-N 0 0 181.622 2.325 10 30 AEEERN Cc1ncc(C(=O)/C=C/Cl)s1 575517826 352498690 /nfs/dbraw/zinc/49/86/90/352498690.db2.gz VRVRZEBTMAQJNY-NSCUHMNNSA-N 0 0 187.651 2.387 10 30 AEEERN Cc1nc(C(=O)/C=C/Cl)cs1 575517877 352499037 /nfs/dbraw/zinc/49/90/37/352499037.db2.gz WVVXGCNDHCZAOH-NSCUHMNNSA-N 0 0 187.651 2.387 10 30 AEEERN C[C@H](C(=O)/C=C/Cl)C1CC1 575517953 352499362 /nfs/dbraw/zinc/49/93/62/352499362.db2.gz XARXXMWPKXEOOW-OVCGOVNKSA-N 0 0 158.628 2.354 10 30 AEEERN C[C@@H](C(=O)/C=C/Cl)C1CC1 575517952 352499388 /nfs/dbraw/zinc/49/93/88/352499388.db2.gz XARXXMWPKXEOOW-BMMSZFGTSA-N 0 0 158.628 2.354 10 30 AEEERN O=C(/C=C/Cl)c1cscn1 575517991 352499841 /nfs/dbraw/zinc/49/98/41/352499841.db2.gz ZFFWZIDIETVBKB-OWOJBTEDSA-N 0 0 173.624 2.078 10 30 AEEERN Cc1cnccc1C(=O)/C=C/Cl 575518092 352500116 /nfs/dbraw/zinc/50/01/16/352500116.db2.gz KACQNYHVIBXIDZ-DUXPYHPUSA-N 0 0 181.622 2.325 10 30 AEEERN Cc1cc(C(=O)/C=C/Cl)ccn1 575518186 352500731 /nfs/dbraw/zinc/50/07/31/352500731.db2.gz ONWSISYJVHQGOF-DUXPYHPUSA-N 0 0 181.622 2.325 10 30 AEEERN Cc1ccncc1C(=O)/C=C/Cl 575518308 352501307 /nfs/dbraw/zinc/50/13/07/352501307.db2.gz ZXXLDECHOCHPIN-DUXPYHPUSA-N 0 0 181.622 2.325 10 30 AEEERN O=C(/C=C/Cl)c1cncc(F)c1 575518276 352501313 /nfs/dbraw/zinc/50/13/13/352501313.db2.gz VZQGQXKVXNYBNK-OWOJBTEDSA-N 0 0 185.585 2.156 10 30 AEEERN C#CC(=O)CC(C)(C)CC 575519028 352505655 /nfs/dbraw/zinc/50/56/55/352505655.db2.gz YKYMPXRFWOUGLZ-UHFFFAOYSA-N 0 0 138.210 2.015 10 30 AEEERN CCNC1(C#N)CCC(F)(F)CC1 575520301 352512019 /nfs/dbraw/zinc/51/20/19/352512019.db2.gz KEIXRAYGBMGZJM-UHFFFAOYSA-N 0 0 188.221 2.068 10 30 AEEERN CC(F)(F)CC(=O)C=CCl 575520607 352512932 /nfs/dbraw/zinc/51/29/32/352512932.db2.gz DDNKVIGCXZELSC-NSCUHMNNSA-N 0 0 168.570 2.353 10 30 AEEERN CC1(CC(=O)/C=C/Cl)CC1 575520616 352513115 /nfs/dbraw/zinc/51/31/15/352513115.db2.gz DFTDOJNCJARKLD-GORDUTHDSA-N 0 0 158.628 2.498 10 30 AEEERN O=C(/C=C/Cl)[C@H]1C[C@@H]2C[C@@H]2C1 575520783 352513380 /nfs/dbraw/zinc/51/33/80/352513380.db2.gz GVENUCFXBCYTCO-YAQMFFEKSA-N 0 0 170.639 2.354 10 30 AEEERN CC[C@@H]1C[C@@H]1C(=O)/C=C/Cl 575520740 352513513 /nfs/dbraw/zinc/51/35/13/352513513.db2.gz GDGPFINLLLVZBO-OHUBKANTSA-N 0 0 158.628 2.354 10 30 AEEERN CC[C@H]1C[C@@H]1C(=O)/C=C/Cl 575520737 352513592 /nfs/dbraw/zinc/51/35/92/352513592.db2.gz GDGPFINLLLVZBO-FWDZIHJBSA-N 0 0 158.628 2.354 10 30 AEEERN CC[C@H]1C[C@H]1C(=O)/C=C/Cl 575520738 352513681 /nfs/dbraw/zinc/51/36/81/352513681.db2.gz GDGPFINLLLVZBO-HKFDCFJWSA-N 0 0 158.628 2.354 10 30 AEEERN CC[C@@H]1C[C@H]1C(=O)/C=C/Cl 575520739 352513685 /nfs/dbraw/zinc/51/36/85/352513685.db2.gz GDGPFINLLLVZBO-KYNVUQBWSA-N 0 0 158.628 2.354 10 30 AEEERN Cc1nc(C)c(C(=O)/C=C/Cl)o1 575520938 352514093 /nfs/dbraw/zinc/51/40/93/352514093.db2.gz JVASGOFOXIACGR-ONEGZZNKSA-N 0 0 185.610 2.227 10 30 AEEERN Cc1cc(C(=O)/C=C/Cl)c(C)nn1 575520933 352514202 /nfs/dbraw/zinc/51/42/02/352514202.db2.gz JSSWJRQLURAKTH-ONEGZZNKSA-N 0 0 196.637 2.029 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1[C@H]2CCC[C@H]21 575521029 352514685 /nfs/dbraw/zinc/51/46/85/352514685.db2.gz MHPFTWBPRYDUQU-NUTGITPXSA-N 0 0 170.639 2.354 10 30 AEEERN O=C(/C=C/Cl)[C@@]12CCC[C@@H]1C2 575521077 352515295 /nfs/dbraw/zinc/51/52/95/352515295.db2.gz MTDZQGSJFPFRBC-GHVFMDICSA-N 0 0 170.639 2.498 10 30 AEEERN CCC1(C(=O)/C=C/Cl)CC1 575521219 352516140 /nfs/dbraw/zinc/51/61/40/352516140.db2.gz PYVGXRCYIVCMKU-ZZXKWVIFSA-N 0 0 158.628 2.498 10 30 AEEERN CC1(C)C[C@H]1C(=O)/C=C/Cl 575521412 352516706 /nfs/dbraw/zinc/51/67/06/352516706.db2.gz UGEKOCYYWPKTKK-YUDCMIJISA-N 0 0 158.628 2.354 10 30 AEEERN CC1CC(C(=O)/C=C/Cl)C1 575521425 352516743 /nfs/dbraw/zinc/51/67/43/352516743.db2.gz URKZNVVVVDEQSW-NSCUHMNNSA-N 0 0 158.628 2.354 10 30 AEEERN CC1(C)C[C@@H]1C(=O)/C=C/Cl 575521411 352516863 /nfs/dbraw/zinc/51/68/63/352516863.db2.gz UGEKOCYYWPKTKK-FCJGRKLLSA-N 0 0 158.628 2.354 10 30 AEEERN C#CC(=O)c1cc(C)c(F)c(C)c1 575521672 352518008 /nfs/dbraw/zinc/51/80/08/352518008.db2.gz FDFIZIHBZVVFGK-UHFFFAOYSA-N 0 0 176.190 2.258 10 30 AEEERN C=C[C@@H](C)Nc1cnn(C)c1Cl 575521682 352518608 /nfs/dbraw/zinc/51/86/08/352518608.db2.gz FLTFAWSFIOAXBI-ZCFIWIBFSA-N 0 0 185.658 2.060 10 30 AEEERN C=C[C@H](C)Nc1cnn(C)c1Cl 575521681 352518646 /nfs/dbraw/zinc/51/86/46/352518646.db2.gz FLTFAWSFIOAXBI-LURJTMIESA-N 0 0 185.658 2.060 10 30 AEEERN C=C(C)CNc1cnn(C)c1Cl 575521935 352520011 /nfs/dbraw/zinc/52/00/11/352520011.db2.gz STXJLOPNAZWSHV-UHFFFAOYSA-N 0 0 185.658 2.062 10 30 AEEERN O=C(/C=C/Cl)[C@H]1C[C@H]1C1CC1 575522138 352520498 /nfs/dbraw/zinc/52/04/98/352520498.db2.gz YOBXQNUNCVOHPP-HENSLRDNSA-N 0 0 170.639 2.354 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1C[C@@H]1C1CC1 575522137 352520552 /nfs/dbraw/zinc/52/05/52/352520552.db2.gz YOBXQNUNCVOHPP-ATXJSMISSA-N 0 0 170.639 2.354 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1C[C@H]1C1CC1 575522139 352520696 /nfs/dbraw/zinc/52/06/96/352520696.db2.gz YOBXQNUNCVOHPP-XMYQNILUSA-N 0 0 170.639 2.354 10 30 AEEERN C=CC(=O)c1cc(Cl)ccc1N 575523072 352523959 /nfs/dbraw/zinc/52/39/59/352523959.db2.gz FPJLUUVPNGFQEG-UHFFFAOYSA-N 0 0 181.622 2.291 10 30 AEEERN CN[C@]1(C#N)CCC12CCCCC2 575522893 352524001 /nfs/dbraw/zinc/52/40/01/352524001.db2.gz KSOKJZQPFZXYOS-NSHDSACASA-N 0 0 178.279 2.212 10 30 AEEERN CN[C@@]1(C#N)CCC12CCCCC2 575522888 352524065 /nfs/dbraw/zinc/52/40/65/352524065.db2.gz KSOKJZQPFZXYOS-LLVKDONJSA-N 0 0 178.279 2.212 10 30 AEEERN C#CCC(=O)c1cc(Cl)ccc1N 575523129 352525007 /nfs/dbraw/zinc/52/50/07/352525007.db2.gz GYPZYCGCAYIERT-UHFFFAOYSA-N 0 0 193.633 2.128 10 30 AEEERN CCN[C@@]1(C#N)CCC12CCCC2 575523454 352525952 /nfs/dbraw/zinc/52/59/52/352525952.db2.gz TZLWAEYTSSBITR-LLVKDONJSA-N 0 0 178.279 2.212 10 30 AEEERN CCN[C@]1(C#N)CCC12CCCC2 575523455 352525958 /nfs/dbraw/zinc/52/59/58/352525958.db2.gz TZLWAEYTSSBITR-NSHDSACASA-N 0 0 178.279 2.212 10 30 AEEERN C=CC(=O)C[C@]1(C)CC1(F)F 575523749 352527364 /nfs/dbraw/zinc/52/73/64/352527364.db2.gz NSNVABUPMDCOOX-SSDOTTSWSA-N 0 0 160.163 2.177 10 30 AEEERN C=CC(=O)C[C@@]1(C)CC1(F)F 575523750 352527390 /nfs/dbraw/zinc/52/73/90/352527390.db2.gz NSNVABUPMDCOOX-ZETCQYMHSA-N 0 0 160.163 2.177 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCOC1(C)C 575523788 352527651 /nfs/dbraw/zinc/52/76/51/352527651.db2.gz OIHYPYGNGCLKBJ-SECBINFHSA-N 0 0 182.263 2.337 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCOC1(C)C 575523791 352527799 /nfs/dbraw/zinc/52/77/99/352527799.db2.gz OIHYPYGNGCLKBJ-VIFPVBQESA-N 0 0 182.263 2.337 10 30 AEEERN CC(F)(F)C(C)(C)CC=O 575526548 352540029 /nfs/dbraw/zinc/54/00/29/352540029.db2.gz VJCBREMPVWFYTE-UHFFFAOYSA-N 0 0 150.168 2.257 10 30 AEEERN C=C[C@H](O)c1ccc(Cl)c(N)c1 575528774 352548827 /nfs/dbraw/zinc/54/88/27/352548827.db2.gz VJTKULXOFIBSJU-VIFPVBQESA-N 0 0 183.638 2.142 10 30 AEEERN C=C[C@@H](O)c1ccc(Cl)c(N)c1 575528773 352548867 /nfs/dbraw/zinc/54/88/67/352548867.db2.gz VJTKULXOFIBSJU-SECBINFHSA-N 0 0 183.638 2.142 10 30 AEEERN CO[C@@]1(C=O)CCC12CCCCC2 575528718 352548976 /nfs/dbraw/zinc/54/89/76/352548976.db2.gz UTTQHQHKBIZNQJ-LLVKDONJSA-N 0 0 182.263 2.315 10 30 AEEERN CO[C@]1(C=O)CCC12CCCCC2 575528721 352548983 /nfs/dbraw/zinc/54/89/83/352548983.db2.gz UTTQHQHKBIZNQJ-NSHDSACASA-N 0 0 182.263 2.315 10 30 AEEERN C=CC(=O)C[C@@H]1C[C@H]2C[C@H]2C1 575529297 352551292 /nfs/dbraw/zinc/55/12/92/352551292.db2.gz WBGSOEACLKIJRS-AYMMMOKOSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H](C#N)C(=O)[C@@]12CCCC[C@@H]1C2 575530558 352556804 /nfs/dbraw/zinc/55/68/04/352556804.db2.gz DJCRBXJZEQVNOX-FXPVBKGRSA-N 0 0 177.247 2.295 10 30 AEEERN O=C(C1=CCCO1)[C@@]12CCC[C@@H]1C2 575530536 352556952 /nfs/dbraw/zinc/55/69/52/352556952.db2.gz DENVAVAEMPFVFZ-LDYMZIIASA-N 0 0 178.231 2.050 10 30 AEEERN O=C(C1=CCCO1)[C@]12CCC[C@H]1C2 575530534 352556958 /nfs/dbraw/zinc/55/69/58/352556958.db2.gz DENVAVAEMPFVFZ-KWQFWETISA-N 0 0 178.231 2.050 10 30 AEEERN C[C@H](C#N)C(=O)[C@]12CCCC[C@H]1C2 575530569 352557019 /nfs/dbraw/zinc/55/70/19/352557019.db2.gz DJCRBXJZEQVNOX-YWVKMMECSA-N 0 0 177.247 2.295 10 30 AEEERN C#CCC(=O)C1(C(C)C)CC1 575530780 352558013 /nfs/dbraw/zinc/55/80/13/352558013.db2.gz MFRODGCLPTWHIX-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN C=CCC(=O)[C@@]12CCC[C@@H]1C2 575531295 352560327 /nfs/dbraw/zinc/56/03/27/352560327.db2.gz IGQGEGCHQBXDHG-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C=CCC(=O)[C@]12CCC[C@H]1C2 575531312 352560771 /nfs/dbraw/zinc/56/07/71/352560771.db2.gz IGQGEGCHQBXDHG-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(=O)[C@]12CCCC[C@H]1C2 575531634 352562022 /nfs/dbraw/zinc/56/20/22/352562022.db2.gz JSHYYJKXKKLEFQ-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(=O)[C@@]12CCCC[C@@H]1C2 575531624 352562047 /nfs/dbraw/zinc/56/20/47/352562047.db2.gz JSHYYJKXKKLEFQ-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(=O)C1(C(C)C)CC1 575531699 352562661 /nfs/dbraw/zinc/56/26/61/352562661.db2.gz RFJQCHQDYYLZIN-UHFFFAOYSA-N 0 0 138.210 2.178 10 30 AEEERN N#CCC(=O)[C@]12CCCC[C@H]1C2 575532421 352565714 /nfs/dbraw/zinc/56/57/14/352565714.db2.gz NOJSAHJXYIZVAB-WPRPVWTQSA-N 0 0 163.220 2.049 10 30 AEEERN N#CCC(=O)[C@@]12CCCC[C@@H]1C2 575532418 352565764 /nfs/dbraw/zinc/56/57/64/352565764.db2.gz NOJSAHJXYIZVAB-PSASIEDQSA-N 0 0 163.220 2.049 10 30 AEEERN C=C(C)C(=O)[C@@]12CCC[C@@H]1C2 575532422 352565800 /nfs/dbraw/zinc/56/58/00/352565800.db2.gz NSQWOVVIGFBCOH-PSASIEDQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)C(=O)[C@]12CCC[C@H]1C2 575532425 352565832 /nfs/dbraw/zinc/56/58/32/352565832.db2.gz NSQWOVVIGFBCOH-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)[C@H](O)c1ccc(N)c(C)c1 575532585 352566765 /nfs/dbraw/zinc/56/67/65/352566765.db2.gz WUVBSBRTGPFZNK-NSHDSACASA-N 0 0 177.247 2.187 10 30 AEEERN C=C(C)[C@@H](O)c1ccc(N)c(C)c1 575532583 352566784 /nfs/dbraw/zinc/56/67/84/352566784.db2.gz WUVBSBRTGPFZNK-LLVKDONJSA-N 0 0 177.247 2.187 10 30 AEEERN C=C(C)C(=O)C1(C(F)F)CC1 575532660 352566839 /nfs/dbraw/zinc/56/68/39/352566839.db2.gz XASOZIXEMSSTJK-UHFFFAOYSA-N 0 0 160.163 2.177 10 30 AEEERN C#CCC(=O)[C@]12CCCC[C@H]1C2 575533443 352570873 /nfs/dbraw/zinc/57/08/73/352570873.db2.gz SBQWFFPKZWCCMH-ONGXEEELSA-N 0 0 162.232 2.159 10 30 AEEERN C#CCC(=O)[C@@]12CCCC[C@@H]1C2 575533440 352570957 /nfs/dbraw/zinc/57/09/57/352570957.db2.gz SBQWFFPKZWCCMH-MWLCHTKSSA-N 0 0 162.232 2.159 10 30 AEEERN O=C(C1=COCC1)[C@@]12CCC[C@@H]1C2 575533818 352572913 /nfs/dbraw/zinc/57/29/13/352572913.db2.gz UGFYGVVPCUIIIY-MWLCHTKSSA-N 0 0 178.231 2.050 10 30 AEEERN O=C(C1=COCC1)[C@]12CCC[C@H]1C2 575533819 352573118 /nfs/dbraw/zinc/57/31/18/352573118.db2.gz UGFYGVVPCUIIIY-ONGXEEELSA-N 0 0 178.231 2.050 10 30 AEEERN CC(C)N[C@@]1(C#N)CC[C@@H](C)SC1 575534718 352575896 /nfs/dbraw/zinc/57/58/96/352575896.db2.gz MNNAIZSPBUCYCA-NXEZZACHSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)N[C@]1(C#N)CC[C@H](C)SC1 575534727 352575926 /nfs/dbraw/zinc/57/59/26/352575926.db2.gz MNNAIZSPBUCYCA-UWVGGRQHSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)N[C@@]1(C#N)CC[C@H](C)SC1 575534728 352575957 /nfs/dbraw/zinc/57/59/57/352575957.db2.gz MNNAIZSPBUCYCA-VHSXEESVSA-N 0 0 198.335 2.162 10 30 AEEERN CC(C)N[C@]1(C#N)CC[C@@H](C)SC1 575534729 352576020 /nfs/dbraw/zinc/57/60/20/352576020.db2.gz MNNAIZSPBUCYCA-ZJUUUORDSA-N 0 0 198.335 2.162 10 30 AEEERN CC#CCC(=O)[C@]12CCC[C@H]1C2 575534840 352576466 /nfs/dbraw/zinc/57/64/66/352576466.db2.gz YVMNHDKESRBPSJ-ONGXEEELSA-N 0 0 162.232 2.159 10 30 AEEERN CC#CCC(=O)[C@@]12CCC[C@@H]1C2 575534839 352576729 /nfs/dbraw/zinc/57/67/29/352576729.db2.gz YVMNHDKESRBPSJ-MWLCHTKSSA-N 0 0 162.232 2.159 10 30 AEEERN SCc1cccc2c1OCC2 575535966 352581577 /nfs/dbraw/zinc/58/15/77/352581577.db2.gz AGXSODHPLFMVPO-UHFFFAOYSA-N 0 0 166.245 2.051 10 30 AEEERN C[C@@H](C#N)C(=O)[C@@]1(C)CC1(C)C 575536417 352584489 /nfs/dbraw/zinc/58/44/89/352584489.db2.gz BUEANBRMWLHSAN-OIBJUYFYSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@H](C#N)C(=O)[C@]1(C)CC1(C)C 575536419 352584585 /nfs/dbraw/zinc/58/45/85/352584585.db2.gz BUEANBRMWLHSAN-XCBNKYQSSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H](C#N)C(=O)[C@]1(C)CC1(C)C 575536421 352584641 /nfs/dbraw/zinc/58/46/41/352584641.db2.gz BUEANBRMWLHSAN-XVKPBYJWSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@H](C#N)C(=O)[C@@]1(C)CC1(C)C 575536414 352584692 /nfs/dbraw/zinc/58/46/92/352584692.db2.gz BUEANBRMWLHSAN-GMSGAONNSA-N 0 0 165.236 2.151 10 30 AEEERN CC(=O)/C(C)=C/c1ccc(F)cn1 575536652 352585265 /nfs/dbraw/zinc/58/52/65/352585265.db2.gz DAINRRKHAYETDX-FNORWQNLSA-N 0 0 179.194 2.213 10 30 AEEERN C[C@@H]1CCC[C@]1(C#N)C[C@@H]1CO1 575536764 352586028 /nfs/dbraw/zinc/58/60/28/352586028.db2.gz AHWBRBYNGHAUKG-OPRDCNLKSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@@]1(C#N)C[C@@H]1CO1 575536762 352586050 /nfs/dbraw/zinc/58/60/50/352586050.db2.gz AHWBRBYNGHAUKG-BBBLOLIVSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@@]1(C#N)C[C@H]1CO1 575536765 352586159 /nfs/dbraw/zinc/58/61/59/352586159.db2.gz AHWBRBYNGHAUKG-UTLUCORTSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@]1(C#N)C[C@H]1CO1 575536763 352586274 /nfs/dbraw/zinc/58/62/74/352586274.db2.gz AHWBRBYNGHAUKG-KXUCPTDWSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CO1 575536919 352586884 /nfs/dbraw/zinc/58/68/84/352586884.db2.gz GWXBLSOKCJBBKI-GMTAPVOTSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CO1 575536932 352586962 /nfs/dbraw/zinc/58/69/62/352586962.db2.gz GWXBLSOKCJBBKI-MXWKQRLJSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CO1 575536933 352587042 /nfs/dbraw/zinc/58/70/42/352587042.db2.gz GWXBLSOKCJBBKI-OUAUKWLOSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CO1 575536934 352587043 /nfs/dbraw/zinc/58/70/43/352587043.db2.gz GWXBLSOKCJBBKI-VWYCJHECSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@]1(CC2CCCC2)O[C@@H]1C#N 575537005 352587499 /nfs/dbraw/zinc/58/74/99/352587499.db2.gz KSIYOZOVGDTRKU-ZJUUUORDSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@]1(CC2CCCC2)O[C@H]1C#N 575537004 352587607 /nfs/dbraw/zinc/58/76/07/352587607.db2.gz KSIYOZOVGDTRKU-VHSXEESVSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@]1(CC2CCCC2)O[C@H]1C#N 575537003 352587636 /nfs/dbraw/zinc/58/76/36/352587636.db2.gz KSIYOZOVGDTRKU-UWVGGRQHSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@]1(CC2CCCC2)O[C@@H]1C#N 575537002 352587741 /nfs/dbraw/zinc/58/77/41/352587741.db2.gz KSIYOZOVGDTRKU-NXEZZACHSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CC[C@](C#N)(C[C@@H]2CO2)C1 575537121 352588087 /nfs/dbraw/zinc/58/80/87/352588087.db2.gz MLRCIEWSJVWVNL-OPRDCNLKSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(C[C@H]2CO2)C1 575537122 352588125 /nfs/dbraw/zinc/58/81/25/352588125.db2.gz MLRCIEWSJVWVNL-UTLUCORTSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CC[C@](C#N)(C[C@H]2CO2)C1 575537120 352588185 /nfs/dbraw/zinc/58/81/85/352588185.db2.gz MLRCIEWSJVWVNL-KXUCPTDWSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(C[C@@H]2CO2)C1 575537119 352588348 /nfs/dbraw/zinc/58/83/48/352588348.db2.gz MLRCIEWSJVWVNL-BBBLOLIVSA-N 0 0 165.236 2.105 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(C[C@H]2CO2)C1 575537174 352588704 /nfs/dbraw/zinc/58/87/04/352588704.db2.gz UUTLQUPBIRICQX-OUAUKWLOSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CO2)C1 575537173 352588708 /nfs/dbraw/zinc/58/87/08/352588708.db2.gz UUTLQUPBIRICQX-MXWKQRLJSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCCCC[C@@]12O[C@H]2C#N 575537205 352588724 /nfs/dbraw/zinc/58/87/24/352588724.db2.gz ZNKHFWYBQRUDSS-KXUCPTDWSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CCCCC[C@@]12O[C@@H]2C#N 575537206 352588792 /nfs/dbraw/zinc/58/87/92/352588792.db2.gz ZNKHFWYBQRUDSS-OPRDCNLKSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CCC[C@](C#N)(C[C@@H]2CO2)C1 575537172 352588866 /nfs/dbraw/zinc/58/88/66/352588866.db2.gz UUTLQUPBIRICQX-GMTAPVOTSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCCCC[C@]12O[C@@H]2C#N 575537204 352588870 /nfs/dbraw/zinc/58/88/70/352588870.db2.gz ZNKHFWYBQRUDSS-BBBLOLIVSA-N 0 0 165.236 2.248 10 30 AEEERN C[C@@H]1CCC[C@@](C#N)(C[C@H]2CO2)C1 575537175 352588873 /nfs/dbraw/zinc/58/88/73/352588873.db2.gz UUTLQUPBIRICQX-VWYCJHECSA-N 0 0 179.263 2.495 10 30 AEEERN C[C@@H]1CCCCC[C@]12O[C@H]2C#N 575537207 352588896 /nfs/dbraw/zinc/58/88/96/352588896.db2.gz ZNKHFWYBQRUDSS-UTLUCORTSA-N 0 0 165.236 2.248 10 30 AEEERN CC1CCC(C#N)(C[C@H]2CO2)CC1 575537185 352588926 /nfs/dbraw/zinc/58/89/26/352588926.db2.gz WUKYUVWYVBXIDC-YVNMAJEFSA-N 0 0 179.263 2.495 10 30 AEEERN CC1CCC(C#N)(C[C@@H]2CO2)CC1 575537184 352588949 /nfs/dbraw/zinc/58/89/49/352588949.db2.gz WUKYUVWYVBXIDC-HSOILSAZSA-N 0 0 179.263 2.495 10 30 AEEERN C#Cc1cnc(NCCC)c(F)c1 575537334 352589388 /nfs/dbraw/zinc/58/93/88/352589388.db2.gz GZTWNZOEGVRFBW-UHFFFAOYSA-N 0 0 178.210 2.024 10 30 AEEERN C=CC(=O)[C@H]1C[C@H]1C(C)(C)C 575537637 352590911 /nfs/dbraw/zinc/59/09/11/352590911.db2.gz KSEVTXFMEDIVGC-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC(=O)[C@@H]1C[C@H]1C(C)(C)C 575537636 352591043 /nfs/dbraw/zinc/59/10/43/352591043.db2.gz KSEVTXFMEDIVGC-HTQZYQBOSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC(=O)[C@H]1C[C@@H]1C(C)(C)C 575537639 352591601 /nfs/dbraw/zinc/59/16/01/352591601.db2.gz KSEVTXFMEDIVGC-YUMQZZPRSA-N 0 0 152.237 2.424 10 30 AEEERN C=CC(=O)[C@@H]1C[C@@H]1C(C)(C)C 575537638 352591656 /nfs/dbraw/zinc/59/16/56/352591656.db2.gz KSEVTXFMEDIVGC-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1C[C@H]1C 575538255 352594096 /nfs/dbraw/zinc/59/40/96/352594096.db2.gz LUSVOEZNHUDNIS-IRPOGJLYSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1C[C@@H]1C 575538257 352594238 /nfs/dbraw/zinc/59/42/38/352594238.db2.gz LUSVOEZNHUDNIS-KZMBTKDLSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1C[C@@H]1C 575538256 352594382 /nfs/dbraw/zinc/59/43/82/352594382.db2.gz LUSVOEZNHUDNIS-JSCIZMSRSA-N 0 0 138.210 2.178 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1C[C@H]1C 575538258 352594391 /nfs/dbraw/zinc/59/43/91/352594391.db2.gz LUSVOEZNHUDNIS-NOFMJIGPSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)N[C@]1(C#N)CCCC12CC2 575538409 352594678 /nfs/dbraw/zinc/59/46/78/352594678.db2.gz MCVCWZCQEQIDSG-NSHDSACASA-N 0 0 178.279 2.211 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCC12CC2 575538407 352594937 /nfs/dbraw/zinc/59/49/37/352594937.db2.gz MCVCWZCQEQIDSG-LLVKDONJSA-N 0 0 178.279 2.211 10 30 AEEERN CC(=O)/C(C)=C/[C@@H]1CC12CC2 575539024 352597522 /nfs/dbraw/zinc/59/75/22/352597522.db2.gz SEYGEEYMKONWLO-VPIOIWJLSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)/C(C)=C\[C@H]1CC12CC2 575539023 352597631 /nfs/dbraw/zinc/59/76/31/352597631.db2.gz SEYGEEYMKONWLO-PGBBXKAQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)/C(C)=C/[C@H]1CC12CC2 575539022 352597689 /nfs/dbraw/zinc/59/76/89/352597689.db2.gz SEYGEEYMKONWLO-IWGCBNPKSA-N 0 0 150.221 2.322 10 30 AEEERN CC(=O)/C(C)=C\[C@@H]1CC12CC2 575539025 352597971 /nfs/dbraw/zinc/59/79/71/352597971.db2.gz SEYGEEYMKONWLO-WILPJHFFSA-N 0 0 150.221 2.322 10 30 AEEERN CC1(C)C[C@]1(C=O)[C@H]1CCCOC1 575539918 352601312 /nfs/dbraw/zinc/60/13/12/352601312.db2.gz AGEHBJZLNDLMSJ-ONGXEEELSA-N 0 0 182.263 2.028 10 30 AEEERN CC1(C)C[C@@]1(C=O)[C@H]1CCCOC1 575539915 352601424 /nfs/dbraw/zinc/60/14/24/352601424.db2.gz AGEHBJZLNDLMSJ-GXSJLCMTSA-N 0 0 182.263 2.028 10 30 AEEERN CC1(C)C[C@]1(C=O)[C@@H]1CCCOC1 575539916 352601573 /nfs/dbraw/zinc/60/15/73/352601573.db2.gz AGEHBJZLNDLMSJ-KOLCDFICSA-N 0 0 182.263 2.028 10 30 AEEERN CC1(C)C[C@@]1(C=O)[C@@H]1CCCOC1 575539917 352601576 /nfs/dbraw/zinc/60/15/76/352601576.db2.gz AGEHBJZLNDLMSJ-MWLCHTKSSA-N 0 0 182.263 2.028 10 30 AEEERN C=C(Cl)Cc1cc(C)cnc1N 575540116 352602273 /nfs/dbraw/zinc/60/22/73/352602273.db2.gz MZBXPBFTVIDNDX-UHFFFAOYSA-N 0 0 182.654 2.267 10 30 AEEERN C#Cc1nc2ccccc2[nH]c1=S 575540410 352603424 /nfs/dbraw/zinc/60/34/24/352603424.db2.gz BHFRCTXPYBWKRU-UHFFFAOYSA-N 0 0 186.239 2.274 10 30 AEEERN C=C(Cl)C[C@@H](N)C(F)(F)F 575540532 352604475 /nfs/dbraw/zinc/60/44/75/352604475.db2.gz WUJOCLVDUCRVGG-SCSAIBSYSA-N 0 0 173.565 2.019 10 30 AEEERN C#CCC(=O)[C@@H]1CCCC12CC2 575540558 352604243 /nfs/dbraw/zinc/60/42/43/352604243.db2.gz AVRHWHVPXJBBED-VIFPVBQESA-N 0 0 162.232 2.159 10 30 AEEERN C=C(Cl)C[C@H](N)C(F)(F)F 575540526 352604309 /nfs/dbraw/zinc/60/43/09/352604309.db2.gz WUJOCLVDUCRVGG-BYPYZUCNSA-N 0 0 173.565 2.019 10 30 AEEERN C#CCC(=O)[C@H]1CCCC12CC2 575540554 352604454 /nfs/dbraw/zinc/60/44/54/352604454.db2.gz AVRHWHVPXJBBED-SECBINFHSA-N 0 0 162.232 2.159 10 30 AEEERN C#CCOc1c(C)cc(Cl)cc1N 575540688 352605148 /nfs/dbraw/zinc/60/51/48/352605148.db2.gz BLNNWPJRFOJSMI-UHFFFAOYSA-N 0 0 195.649 2.243 10 30 AEEERN N#C[C@H]1O[C@]12CCC21CCCCC1 575540957 352605505 /nfs/dbraw/zinc/60/55/05/352605505.db2.gz JAGDOJKCSFZEKT-MWLCHTKSSA-N 0 0 177.247 2.392 10 30 AEEERN N#C[C@@H]1O[C@@]12CCC21CCCCC1 575540959 352605691 /nfs/dbraw/zinc/60/56/91/352605691.db2.gz JAGDOJKCSFZEKT-ONGXEEELSA-N 0 0 177.247 2.392 10 30 AEEERN N#C[C@H]1O[C@@]12CCC21CCCCC1 575540954 352605751 /nfs/dbraw/zinc/60/57/51/352605751.db2.gz JAGDOJKCSFZEKT-KOLCDFICSA-N 0 0 177.247 2.392 10 30 AEEERN N#C[C@@H]1O[C@]12CCC21CCCCC1 575540952 352605813 /nfs/dbraw/zinc/60/58/13/352605813.db2.gz JAGDOJKCSFZEKT-GXSJLCMTSA-N 0 0 177.247 2.392 10 30 AEEERN Cc1cc(Cl)cc(N)c1OCC#N 575541903 352608992 /nfs/dbraw/zinc/60/89/92/352608992.db2.gz IUZPACXQCAAWAK-UHFFFAOYSA-N 0 0 196.637 2.133 10 30 AEEERN C#CCC[C@@]1(C=O)CC1(C)C 575543017 352612597 /nfs/dbraw/zinc/61/25/97/352612597.db2.gz SXHIAWYMSSCEPJ-JTQLQIEISA-N 0 0 150.221 2.015 10 30 AEEERN C#CCC[C@]1(C=O)CC1(C)C 575543018 352612750 /nfs/dbraw/zinc/61/27/50/352612750.db2.gz SXHIAWYMSSCEPJ-SNVBAGLBSA-N 0 0 150.221 2.015 10 30 AEEERN C=CC(=O)[C@@H]1CCCC12CC2 575543410 352614806 /nfs/dbraw/zinc/61/48/06/352614806.db2.gz PGJMUBDAURTVSJ-QMMMGPOBSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(=O)[C@H]1CCCC12CC2 575543409 352614999 /nfs/dbraw/zinc/61/49/99/352614999.db2.gz PGJMUBDAURTVSJ-MRVPVSSYSA-N 0 0 150.221 2.322 10 30 AEEERN CC1(C)C[C@@]1(C)NC1=CC(=O)CC1 575544796 352619561 /nfs/dbraw/zinc/61/95/61/352619561.db2.gz LGECKKRBPDDNDE-LLVKDONJSA-N 0 0 179.263 2.011 10 30 AEEERN CC1(C)C[C@]1(C)NC1=CC(=O)CC1 575544797 352619538 /nfs/dbraw/zinc/61/95/38/352619538.db2.gz LGECKKRBPDDNDE-NSHDSACASA-N 0 0 179.263 2.011 10 30 AEEERN Cc1cc(Cl)ccc1[C@@](C)(O)C=O 575545310 352621361 /nfs/dbraw/zinc/62/13/61/352621361.db2.gz GKXJLLOMGBUGEC-JTQLQIEISA-N 0 0 198.649 2.055 10 30 AEEERN Cc1cc(Cl)ccc1[C@](C)(O)C=O 575545317 352621559 /nfs/dbraw/zinc/62/15/59/352621559.db2.gz GKXJLLOMGBUGEC-SNVBAGLBSA-N 0 0 198.649 2.055 10 30 AEEERN C[C@@H](NC1=CC(=O)CC1)C1(C)CC1 575545725 352622697 /nfs/dbraw/zinc/62/26/97/352622697.db2.gz NMEBBNFTLFPVBS-MRVPVSSYSA-N 0 0 179.263 2.011 10 30 AEEERN C[C@H](NC1=CC(=O)CC1)C1(C)CC1 575545726 352622749 /nfs/dbraw/zinc/62/27/49/352622749.db2.gz NMEBBNFTLFPVBS-QMMMGPOBSA-N 0 0 179.263 2.011 10 30 AEEERN CC1(C)C[C@@]1(C=O)[C@H]1CCSC1 575546748 352626353 /nfs/dbraw/zinc/62/63/53/352626353.db2.gz UIRVGEGHEKDMKD-WCBMZHEXSA-N 0 0 184.304 2.355 10 30 AEEERN CC1(C)C[C@@]1(C=O)[C@@H]1CCSC1 575546746 352626356 /nfs/dbraw/zinc/62/63/56/352626356.db2.gz UIRVGEGHEKDMKD-PSASIEDQSA-N 0 0 184.304 2.355 10 30 AEEERN CC1(C)C[C@]1(C=O)[C@H]1CCSC1 575546749 352626443 /nfs/dbraw/zinc/62/64/43/352626443.db2.gz UIRVGEGHEKDMKD-WPRPVWTQSA-N 0 0 184.304 2.355 10 30 AEEERN CC1(C)C[C@]1(C=O)[C@@H]1CCSC1 575546747 352626512 /nfs/dbraw/zinc/62/65/12/352626512.db2.gz UIRVGEGHEKDMKD-SCZZXKLOSA-N 0 0 184.304 2.355 10 30 AEEERN N#C[C@H]1O[C@@]12CCC21CCCC1 575547477 352628234 /nfs/dbraw/zinc/62/82/34/352628234.db2.gz DXNNTJCCTBTSHT-SCZZXKLOSA-N 0 0 163.220 2.002 10 30 AEEERN N#C[C@H]1O[C@]12CCC21CCCC1 575547476 352628448 /nfs/dbraw/zinc/62/84/48/352628448.db2.gz DXNNTJCCTBTSHT-PSASIEDQSA-N 0 0 163.220 2.002 10 30 AEEERN N#C[C@@H]1O[C@@]12CCC21CCCC1 575547479 352628568 /nfs/dbraw/zinc/62/85/68/352628568.db2.gz DXNNTJCCTBTSHT-WPRPVWTQSA-N 0 0 163.220 2.002 10 30 AEEERN N#C[C@@H]1O[C@]12CCC21CCCC1 575547478 352628611 /nfs/dbraw/zinc/62/86/11/352628611.db2.gz DXNNTJCCTBTSHT-WCBMZHEXSA-N 0 0 163.220 2.002 10 30 AEEERN C/C=C/C(=O)C1(O)CCCCCC1 575548181 352629973 /nfs/dbraw/zinc/62/99/73/352629973.db2.gz AZKMELCMGUCYIO-FARCUNLSSA-N 0 0 182.263 2.217 10 30 AEEERN C=C(Cl)CC1(C(C)=O)CC1 575548387 352630638 /nfs/dbraw/zinc/63/06/38/352630638.db2.gz CMQCWPGWHYWZOP-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN CC1(C)C[C@@]1(C=O)CC(F)F 575548324 352630681 /nfs/dbraw/zinc/63/06/81/352630681.db2.gz CARDNGBLPDCJAZ-MRVPVSSYSA-N 0 0 162.179 2.257 10 30 AEEERN CC1(C)C[C@]1(C=O)CC(F)F 575548325 352630785 /nfs/dbraw/zinc/63/07/85/352630785.db2.gz CARDNGBLPDCJAZ-QMMMGPOBSA-N 0 0 162.179 2.257 10 30 AEEERN C/C=C/C(=O)C1(O)CCC(C)CC1 575548261 352630796 /nfs/dbraw/zinc/63/07/96/352630796.db2.gz BKZNSZLFAHCWKX-ONEGZZNKSA-N 0 0 182.263 2.073 10 30 AEEERN C/C=C/C(=O)c1cc(C)nc(C)c1 575548393 352630909 /nfs/dbraw/zinc/63/09/09/352630909.db2.gz CQQHUMMYBZETBZ-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN C/C=C/C(=O)c1ccncc1C 575548473 352631277 /nfs/dbraw/zinc/63/12/77/352631277.db2.gz DPZJWHHDZCFQSI-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN C/C=C/C(=O)[C@@H]1CCCS1 575548471 352631381 /nfs/dbraw/zinc/63/13/81/352631381.db2.gz DOHIIGJSMRHXPR-KHVHVRLGSA-N 0 0 156.250 2.027 10 30 AEEERN C=C(Cl)CC(=O)C1CCC1 575548479 352631396 /nfs/dbraw/zinc/63/13/96/352631396.db2.gz DTXDMCIVDYDWRI-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN C/C=C/C(=O)[C@H]1CCCS1 575548470 352631474 /nfs/dbraw/zinc/63/14/74/352631474.db2.gz DOHIIGJSMRHXPR-BYDTYLDUSA-N 0 0 156.250 2.027 10 30 AEEERN C=C[C@@H](C)[C@]1(C=O)CC1(C)C 575548621 352631874 /nfs/dbraw/zinc/63/18/74/352631874.db2.gz FGUYGKINLFWSLQ-PSASIEDQSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@@H](C)[C@@]1(C=O)CC1(C)C 575548624 352632017 /nfs/dbraw/zinc/63/20/17/352632017.db2.gz FGUYGKINLFWSLQ-SCZZXKLOSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@H](C)[C@@]1(C=O)CC1(C)C 575548630 352632175 /nfs/dbraw/zinc/63/21/75/352632175.db2.gz FGUYGKINLFWSLQ-WPRPVWTQSA-N 0 0 152.237 2.424 10 30 AEEERN C=C[C@H](C)[C@]1(C=O)CC1(C)C 575548627 352632198 /nfs/dbraw/zinc/63/21/98/352632198.db2.gz FGUYGKINLFWSLQ-WCBMZHEXSA-N 0 0 152.237 2.424 10 30 AEEERN C=C(Cl)CC(=O)[C@@H]1C[C@H]1C 575548915 352632587 /nfs/dbraw/zinc/63/25/87/352632587.db2.gz FYLFZJOSIGJMEQ-IYSWYEEDSA-N 0 0 158.628 2.354 10 30 AEEERN C=C(Cl)CC(=O)[C@@H]1C[C@@H]1C 575548911 352632701 /nfs/dbraw/zinc/63/27/01/352632701.db2.gz FYLFZJOSIGJMEQ-CAHLUQPWSA-N 0 0 158.628 2.354 10 30 AEEERN C=C(Cl)CC(=O)[C@H]1C[C@H]1C 575548916 352632721 /nfs/dbraw/zinc/63/27/21/352632721.db2.gz FYLFZJOSIGJMEQ-VDTYLAMSSA-N 0 0 158.628 2.354 10 30 AEEERN C/C=C/C(=O)[C@@H]1CC1(C)C 575548902 352632748 /nfs/dbraw/zinc/63/27/48/352632748.db2.gz FWYJGSHJJZVANY-KPJROHGDSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)c1ncc(C)cc1C 575549042 352632782 /nfs/dbraw/zinc/63/27/82/352632782.db2.gz GVIRXMJCTCWVBK-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN C=C(Cl)CC(=O)[C@H]1C[C@@H]1C 575548914 352632816 /nfs/dbraw/zinc/63/28/16/352632816.db2.gz FYLFZJOSIGJMEQ-FSPLSTOPSA-N 0 0 158.628 2.354 10 30 AEEERN CC=CC(=O)CC(F)(F)F 575548993 352632937 /nfs/dbraw/zinc/63/29/37/352632937.db2.gz GPKOMBLUEDOUPQ-NSCUHMNNSA-N 0 0 152.115 2.084 10 30 AEEERN C/C=C/C(=O)[C@H]1CC1(C)C 575548906 352632947 /nfs/dbraw/zinc/63/29/47/352632947.db2.gz FWYJGSHJJZVANY-SMMXGFFBSA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)C[C@@]1(C=O)C1CCOCC1 575549207 352633279 /nfs/dbraw/zinc/63/32/79/352633279.db2.gz INNWYHOYCOKXIY-LLVKDONJSA-N 0 0 182.263 2.028 10 30 AEEERN CC[C@@]1(C=O)CC1(C)C 575549229 352633283 /nfs/dbraw/zinc/63/32/83/352633283.db2.gz JFTLTZRYMKMHLO-QMMMGPOBSA-N 0 0 126.199 2.012 10 30 AEEERN CC1(C)C[C@]1(C=O)C1CCOCC1 575549208 352633362 /nfs/dbraw/zinc/63/33/62/352633362.db2.gz INNWYHOYCOKXIY-NSHDSACASA-N 0 0 182.263 2.028 10 30 AEEERN CC[C@]1(C=O)CC1(C)C 575549228 352633560 /nfs/dbraw/zinc/63/35/60/352633560.db2.gz JFTLTZRYMKMHLO-MRVPVSSYSA-N 0 0 126.199 2.012 10 30 AEEERN C/C=C/C(=O)c1ccoc1C 575549269 352634038 /nfs/dbraw/zinc/63/40/38/352634038.db2.gz HTGICYBTBBBDIT-ONEGZZNKSA-N 0 0 150.177 2.347 10 30 AEEERN C/C=C/C(=O)c1cccc(C)n1 575549371 352634144 /nfs/dbraw/zinc/63/41/44/352634144.db2.gz JSIVEWXICBATLY-HWKANZROSA-N 0 0 161.204 2.149 10 30 AEEERN C=C(Cl)C[C@H]1CSCC1=O 575549298 352634210 /nfs/dbraw/zinc/63/42/10/352634210.db2.gz HYMQADUTDHKKGP-LURJTMIESA-N 0 0 176.668 2.061 10 30 AEEERN C=C(Cl)C[C@@H]1CSCC1=O 575549299 352634287 /nfs/dbraw/zinc/63/42/87/352634287.db2.gz HYMQADUTDHKKGP-ZCFIWIBFSA-N 0 0 176.668 2.061 10 30 AEEERN CC(C)=CC(=O)[C@H]1CCCC[N@H+]1C 575549452 352634884 /nfs/dbraw/zinc/63/48/84/352634884.db2.gz KJZXWWMFKROBOH-SNVBAGLBSA-N 0 0 181.279 2.006 10 30 AEEERN CC(C)=CC(=O)[C@@H]1CCCC[N@H+]1C 575549451 352634937 /nfs/dbraw/zinc/63/49/37/352634937.db2.gz KJZXWWMFKROBOH-JTQLQIEISA-N 0 0 181.279 2.006 10 30 AEEERN C/C=C/C(=O)C(C)(C)SC 575549765 352635436 /nfs/dbraw/zinc/63/54/36/352635436.db2.gz MHESEFVSADFXCT-AATRIKPKSA-N 0 0 158.266 2.273 10 30 AEEERN C/C=C/C(=O)c1cc(C)cc(C)n1 575549597 352635630 /nfs/dbraw/zinc/63/56/30/352635630.db2.gz LAIWUZVLPLADRC-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN CC(C)[C@@]1(C=O)CC1(C)C 575549846 352636054 /nfs/dbraw/zinc/63/60/54/352636054.db2.gz NKGCIBNYDHWGKK-VIFPVBQESA-N 0 0 140.226 2.258 10 30 AEEERN CC(C)[C@]1(C=O)CC1(C)C 575549843 352636072 /nfs/dbraw/zinc/63/60/72/352636072.db2.gz NKGCIBNYDHWGKK-SECBINFHSA-N 0 0 140.226 2.258 10 30 AEEERN CC(Cl)=CC(=O)c1cscn1 575550018 352636788 /nfs/dbraw/zinc/63/67/88/352636788.db2.gz NRBCVPOSGJCTQF-UHFFFAOYSA-N 0 0 187.651 2.468 10 30 AEEERN C/C=C/C(=O)c1occc1C 575550007 352636833 /nfs/dbraw/zinc/63/68/33/352636833.db2.gz NIEMCXAOMRKXHL-ONEGZZNKSA-N 0 0 150.177 2.347 10 30 AEEERN C/C=C/C(=O)c1ncccc1C 575550026 352636903 /nfs/dbraw/zinc/63/69/03/352636903.db2.gz OMZFQVNUEBHPOI-HWKANZROSA-N 0 0 161.204 2.149 10 30 AEEERN CC1(C)C[C@@]1(C=O)C1CCC1 575550144 352637305 /nfs/dbraw/zinc/63/73/05/352637305.db2.gz PONBDTIJFGLSOB-SNVBAGLBSA-N 0 0 152.237 2.402 10 30 AEEERN CC1(C)C[C@]1(C=O)C1CC1 575550127 352637359 /nfs/dbraw/zinc/63/73/59/352637359.db2.gz OZHUHEDWUYGJHH-VIFPVBQESA-N 0 0 138.210 2.012 10 30 AEEERN CC1(C)C[C@@]1(C=O)C1CC1 575550126 352637450 /nfs/dbraw/zinc/63/74/50/352637450.db2.gz OZHUHEDWUYGJHH-SECBINFHSA-N 0 0 138.210 2.012 10 30 AEEERN CC1(C)C[C@]1(C=O)C1CCC1 575550142 352637453 /nfs/dbraw/zinc/63/74/53/352637453.db2.gz PONBDTIJFGLSOB-JTQLQIEISA-N 0 0 152.237 2.402 10 30 AEEERN C/C=C/C(=O)c1ccc(Cl)cn1 575550458 352637968 /nfs/dbraw/zinc/63/79/68/352637968.db2.gz SBVRVLMRULMVEB-NSCUHMNNSA-N 0 0 181.622 2.494 10 30 AEEERN C/C=C/C(=O)[C@@H]1CCCCS1 575550411 352638006 /nfs/dbraw/zinc/63/80/06/352638006.db2.gz RORQRIVYHXKPAF-MAHOQKISSA-N 0 0 170.277 2.417 10 30 AEEERN C/C=C/C(=O)[C@H]1CCCCS1 575550413 352638214 /nfs/dbraw/zinc/63/82/14/352638214.db2.gz RORQRIVYHXKPAF-OSOUNJMWSA-N 0 0 170.277 2.417 10 30 AEEERN C/C=C/C(=O)c1ccc(Cl)nc1 575550401 352638330 /nfs/dbraw/zinc/63/83/30/352638330.db2.gz RLQXDDISHLRURJ-NSCUHMNNSA-N 0 0 181.622 2.494 10 30 AEEERN C/C=C/C(=O)c1ncccc1Cl 575550506 352638756 /nfs/dbraw/zinc/63/87/56/352638756.db2.gz SYTQFWWYTZQWQQ-DUXPYHPUSA-N 0 0 181.622 2.494 10 30 AEEERN CC1(C)C[C@@]1(C=O)CC1CC1 575550826 352639387 /nfs/dbraw/zinc/63/93/87/352639387.db2.gz UONHZBHDBGLVMV-SNVBAGLBSA-N 0 0 152.237 2.402 10 30 AEEERN C/C=C/C(=O)c1ccnc(Cl)c1 575550787 352639394 /nfs/dbraw/zinc/63/93/94/352639394.db2.gz UMANLOSQOMBKOH-NSCUHMNNSA-N 0 0 181.622 2.494 10 30 AEEERN C=C(Cl)C[C@@H](C)C(C)=O 575550850 352639445 /nfs/dbraw/zinc/63/94/45/352639445.db2.gz VEYQLKAOJKPAKC-RXMQYKEDSA-N 0 0 146.617 2.354 10 30 AEEERN CC(Cl)=CC(=O)c1cncs1 575550708 352639466 /nfs/dbraw/zinc/63/94/66/352639466.db2.gz UGNBAKTZJKNFKK-UHFFFAOYSA-N 0 0 187.651 2.468 10 30 AEEERN C=C(Cl)C[C@H](C)C(C)=O 575550851 352639470 /nfs/dbraw/zinc/63/94/70/352639470.db2.gz VEYQLKAOJKPAKC-YFKPBYRVSA-N 0 0 146.617 2.354 10 30 AEEERN CC1(C)C[C@]1(C=O)CC1CC1 575550823 352639605 /nfs/dbraw/zinc/63/96/05/352639605.db2.gz UONHZBHDBGLVMV-JTQLQIEISA-N 0 0 152.237 2.402 10 30 AEEERN C=C(Cl)CC(=O)C1CC1 575550815 352639637 /nfs/dbraw/zinc/63/96/37/352639637.db2.gz UPAZJDYTVXUHDL-UHFFFAOYSA-N 0 0 144.601 2.108 10 30 AEEERN C/C=C/C(=O)[C@]1(C)CCCCO1 575550821 352639644 /nfs/dbraw/zinc/63/96/44/352639644.db2.gz USGFOAUPXFIUSH-YVGDHZEHSA-N 0 0 168.236 2.091 10 30 AEEERN C=C(Cl)CC(=O)C1(C)CC1 575550856 352639665 /nfs/dbraw/zinc/63/96/65/352639665.db2.gz VHARSQLXPRKECZ-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN C=C(Cl)CC(=O)C(F)(F)F 575550917 352640392 /nfs/dbraw/zinc/64/03/92/352640392.db2.gz VYPYRUDHYQVOHL-UHFFFAOYSA-N 0 0 172.533 2.260 10 30 AEEERN CC=CC(=O)[C@@H]1Cc2ccccc21 575551284 352640701 /nfs/dbraw/zinc/64/07/01/352640701.db2.gz XHPGCNLSFCJZQY-XGQHYKRYSA-N 0 0 172.227 2.472 10 30 AEEERN CC=CC(=O)[C@H]1Cc2ccccc21 575551280 352640813 /nfs/dbraw/zinc/64/08/13/352640813.db2.gz XHPGCNLSFCJZQY-DGXRNCNBSA-N 0 0 172.227 2.472 10 30 AEEERN C/C=C/C(=O)[C@]1(C)CCCS1 575551440 352641525 /nfs/dbraw/zinc/64/15/25/352641525.db2.gz YZIVAXGHXTTXBM-SGRBOOSSSA-N 0 0 170.277 2.417 10 30 AEEERN C/C=C/C(=O)[C@@]1(C)CCCS1 575551439 352641762 /nfs/dbraw/zinc/64/17/62/352641762.db2.gz YZIVAXGHXTTXBM-HYYFJVDXSA-N 0 0 170.277 2.417 10 30 AEEERN CCC[C@@]1(C=O)CC1(C)C 575551591 352642464 /nfs/dbraw/zinc/64/24/64/352642464.db2.gz WUOQSOUHDVYSEC-VIFPVBQESA-N 0 0 140.226 2.402 10 30 AEEERN CCC[C@]1(C=O)CC1(C)C 575551589 352642541 /nfs/dbraw/zinc/64/25/41/352642541.db2.gz WUOQSOUHDVYSEC-SECBINFHSA-N 0 0 140.226 2.402 10 30 AEEERN C[C@H](C#N)C(=O)C1CC(C)(C)C1 575553972 352651011 /nfs/dbraw/zinc/65/10/11/352651011.db2.gz CAPMLLKOLPTDSL-SSDOTTSWSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H](C#N)C(=O)C1CC(C)(C)C1 575553973 352651175 /nfs/dbraw/zinc/65/11/75/352651175.db2.gz CAPMLLKOLPTDSL-ZETCQYMHSA-N 0 0 165.236 2.151 10 30 AEEERN C#CCC(=O)[C@]1(C)CC1(C)C 575560352 352676359 /nfs/dbraw/zinc/67/63/59/352676359.db2.gz JBURGAUVROZHSR-JTQLQIEISA-N 0 0 150.221 2.015 10 30 AEEERN C=C(Cl)CC(=O)C(C)(F)F 575556461 352659867 /nfs/dbraw/zinc/65/98/67/352659867.db2.gz HUFPVBOCPLCYRT-UHFFFAOYSA-N 0 0 168.570 2.353 10 30 AEEERN Cc1cocc1C(=O)C1=CCCO1 575556990 352662487 /nfs/dbraw/zinc/66/24/87/352662487.db2.gz GJCUVFXTRVQQMR-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN CC=C=CC(=O)c1cocc1C 575557454 352664507 /nfs/dbraw/zinc/66/45/07/352664507.db2.gz IRYSTCMODWYGBV-UHFFFAOYSA-N 0 0 162.188 2.184 10 30 AEEERN CC(C)[C@]1(C2CC2)CC(=O)C=CO1 575558024 352666182 /nfs/dbraw/zinc/66/61/82/352666182.db2.gz AWMOFWCSIIKUDT-NSHDSACASA-N 0 0 180.247 2.294 10 30 AEEERN CC(C)[C@@]1(C2CC2)CC(=O)C=CO1 575558023 352666591 /nfs/dbraw/zinc/66/65/91/352666591.db2.gz AWMOFWCSIIKUDT-LLVKDONJSA-N 0 0 180.247 2.294 10 30 AEEERN C=C(Cl)CC1(C=O)CC1 575558136 352666902 /nfs/dbraw/zinc/66/69/02/352666902.db2.gz MDGYOZZIRMAIHG-UHFFFAOYSA-N 0 0 144.601 2.108 10 30 AEEERN CC1(C)C[C@@]1(C)C(=O)C1=COCC1 575558755 352669856 /nfs/dbraw/zinc/66/98/56/352669856.db2.gz DNZBPKNGXOHLNE-NSHDSACASA-N 0 0 180.247 2.296 10 30 AEEERN CC1(C)C[C@]1(C)C(=O)C1=COCC1 575558754 352669892 /nfs/dbraw/zinc/66/98/92/352669892.db2.gz DNZBPKNGXOHLNE-LLVKDONJSA-N 0 0 180.247 2.296 10 30 AEEERN C=CC(=O)[C@@]1(C)CC1(C)C 575558842 352670232 /nfs/dbraw/zinc/67/02/32/352670232.db2.gz DPHYUEIUZXDOOS-SECBINFHSA-N 0 0 138.210 2.178 10 30 AEEERN C=CC(=O)[C@]1(C)CC1(C)C 575558846 352670255 /nfs/dbraw/zinc/67/02/55/352670255.db2.gz DPHYUEIUZXDOOS-VIFPVBQESA-N 0 0 138.210 2.178 10 30 AEEERN CC1(C)C[C@H](SCCS)CO1 575559245 352671474 /nfs/dbraw/zinc/67/14/74/352671474.db2.gz NWRZVNQBRQFWKE-ZETCQYMHSA-N 0 0 192.349 2.217 10 30 AEEERN CC1(C)C[C@@H](SCCS)CO1 575559243 352671534 /nfs/dbraw/zinc/67/15/34/352671534.db2.gz NWRZVNQBRQFWKE-SSDOTTSWSA-N 0 0 192.349 2.217 10 30 AEEERN C=C(Cl)CC1(C=O)CCC1 575559182 352671781 /nfs/dbraw/zinc/67/17/81/352671781.db2.gz YAIKQDCLHCHAKQ-UHFFFAOYSA-N 0 0 158.628 2.498 10 30 AEEERN C=CC(=O)c1[nH]c(C)cc1C 575559534 352672957 /nfs/dbraw/zinc/67/29/57/352672957.db2.gz PETSUEMQUXPMMG-UHFFFAOYSA-N 0 0 149.193 2.000 10 30 AEEERN C=C(Cl)CC(=O)[C@H]1CC12CC2 575559787 352673633 /nfs/dbraw/zinc/67/36/33/352673633.db2.gz YFNMAGRXGZDUQX-SSDOTTSWSA-N 0 0 170.639 2.498 10 30 AEEERN C=C(Cl)CC(=O)[C@@H]1CC12CC2 575559789 352673737 /nfs/dbraw/zinc/67/37/37/352673737.db2.gz YFNMAGRXGZDUQX-ZETCQYMHSA-N 0 0 170.639 2.498 10 30 AEEERN Cc1cocc1C(=O)C1=COCC1 575559826 352674374 /nfs/dbraw/zinc/67/43/74/352674374.db2.gz PNVZBDXQNKZIFG-UHFFFAOYSA-N 0 0 178.187 2.075 10 30 AEEERN C=C(Cl)CC1=CC(=O)CC1 575559981 352674397 /nfs/dbraw/zinc/67/43/97/352674397.db2.gz ZNTFLKBOHSFAOU-UHFFFAOYSA-N 0 0 156.612 2.418 10 30 AEEERN C#CCC(=O)[C@@]1(C)CC1(C)C 575560355 352676566 /nfs/dbraw/zinc/67/65/66/352676566.db2.gz JBURGAUVROZHSR-SNVBAGLBSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@]1(C)CC1(C)C 575560454 352676698 /nfs/dbraw/zinc/67/66/98/352676698.db2.gz JORHOQQIYKNYOH-NSHDSACASA-N 0 0 164.248 2.405 10 30 AEEERN CC#CCC(=O)[C@@]1(C)CC1(C)C 575560452 352676760 /nfs/dbraw/zinc/67/67/60/352676760.db2.gz JORHOQQIYKNYOH-LLVKDONJSA-N 0 0 164.248 2.405 10 30 AEEERN CC(F)(F)C[C@@]1(C#N)CCCCN1 575560765 352678645 /nfs/dbraw/zinc/67/86/45/352678645.db2.gz NGEPFPVOFKJXIN-SECBINFHSA-N 0 0 188.221 2.068 10 30 AEEERN CC(F)(F)C[C@]1(C#N)CCCCN1 575560979 352679308 /nfs/dbraw/zinc/67/93/08/352679308.db2.gz NGEPFPVOFKJXIN-VIFPVBQESA-N 0 0 188.221 2.068 10 30 AEEERN CC1(C)C[C@]1(C)C(=O)C1=CCCO1 575561406 352681327 /nfs/dbraw/zinc/68/13/27/352681327.db2.gz OPEKBOUOLHUWNU-LLVKDONJSA-N 0 0 180.247 2.296 10 30 AEEERN CC1(C)C[C@@]1(C)C(=O)C1=CCCO1 575561407 352681410 /nfs/dbraw/zinc/68/14/10/352681410.db2.gz OPEKBOUOLHUWNU-NSHDSACASA-N 0 0 180.247 2.296 10 30 AEEERN CC(F)(F)CC1(C=O)CC1 575561753 352682503 /nfs/dbraw/zinc/68/25/03/352682503.db2.gz UCMUJCYSTCSJLW-UHFFFAOYSA-N 0 0 148.152 2.011 10 30 AEEERN CC(F)(F)CC1(C=O)CCC1 575561763 352682789 /nfs/dbraw/zinc/68/27/89/352682789.db2.gz URCPJFGRJBMONI-UHFFFAOYSA-N 0 0 162.179 2.401 10 30 AEEERN CC(F)(F)CC(C)(C)C=O 575562102 352684631 /nfs/dbraw/zinc/68/46/31/352684631.db2.gz XUXXEPVVSPFEGU-UHFFFAOYSA-N 0 0 150.168 2.257 10 30 AEEERN CC(F)(F)C[C@]1(C#N)CCCC1=O 575562208 352685244 /nfs/dbraw/zinc/68/52/44/352685244.db2.gz ZIGNBICXOIAXQZ-VIFPVBQESA-N 0 0 187.189 2.295 10 30 AEEERN CC(F)(F)C[C@@]1(C#N)CCCC1=O 575562207 352685372 /nfs/dbraw/zinc/68/53/72/352685372.db2.gz ZIGNBICXOIAXQZ-SECBINFHSA-N 0 0 187.189 2.295 10 30 AEEERN SCc1cncc(Cl)c1 575563711 352692154 /nfs/dbraw/zinc/69/21/54/352692154.db2.gz RHVUCSVGNQZXTF-UHFFFAOYSA-N 0 0 159.641 2.165 10 30 AEEERN CC(C)(C)n1cc(CS)cn1 575563789 352692166 /nfs/dbraw/zinc/69/21/66/352692166.db2.gz UVCRIZOCJGEGRB-UHFFFAOYSA-N 0 0 170.281 2.068 10 30 AEEERN SCc1ccc(Cl)cn1 575565016 352699293 /nfs/dbraw/zinc/69/92/93/352699293.db2.gz AGCCYBZLGNUHMN-UHFFFAOYSA-N 0 0 159.641 2.165 10 30 AEEERN CC(=O)/C=C(/C)[C@H]1CCCCO1 575566344 352706536 /nfs/dbraw/zinc/70/65/36/352706536.db2.gz GNILBLFZHOPMEO-GQYWMQPJSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)/C=C(/C)[C@@H]1CCCCO1 575566343 352706564 /nfs/dbraw/zinc/70/65/64/352706564.db2.gz GNILBLFZHOPMEO-DMEOUFDRSA-N 0 0 168.236 2.091 10 30 AEEERN C[C@H](C#N)C(=O)[C@@H]1CCCC12CC2 575568421 352716420 /nfs/dbraw/zinc/71/64/20/352716420.db2.gz FAEHCTJONDICGM-BDAKNGLRSA-N 0 0 177.247 2.295 10 30 AEEERN C[C@@H](C#N)C(=O)[C@H]1CCCC12CC2 575568422 352716498 /nfs/dbraw/zinc/71/64/98/352716498.db2.gz FAEHCTJONDICGM-DTWKUNHWSA-N 0 0 177.247 2.295 10 30 AEEERN C[C@@H](C#N)C(=O)[C@@H]1CCCC12CC2 575568423 352716469 /nfs/dbraw/zinc/71/64/69/352716469.db2.gz FAEHCTJONDICGM-IUCAKERBSA-N 0 0 177.247 2.295 10 30 AEEERN C[C@H](C#N)C(=O)[C@H]1CCCC12CC2 575568424 352716830 /nfs/dbraw/zinc/71/68/30/352716830.db2.gz FAEHCTJONDICGM-RKDXNWHRSA-N 0 0 177.247 2.295 10 30 AEEERN C[C@@H]1C[C@]1(C)C(=O)/C=C/Cl 575568603 352717711 /nfs/dbraw/zinc/71/77/11/352717711.db2.gz FIPXSGGITMYGFL-KTSMUEJMSA-N 0 0 158.628 2.354 10 30 AEEERN C[C@@H]1C[C@@]1(C)C(=O)/C=C/Cl 575568599 352717722 /nfs/dbraw/zinc/71/77/22/352717722.db2.gz FIPXSGGITMYGFL-GNAQFYMWSA-N 0 0 158.628 2.354 10 30 AEEERN C[C@H]1C[C@]1(C)C(=O)/C=C/Cl 575568605 352717943 /nfs/dbraw/zinc/71/79/43/352717943.db2.gz FIPXSGGITMYGFL-XBXJFVOISA-N 0 0 158.628 2.354 10 30 AEEERN C[C@H]1C[C@@]1(C)C(=O)/C=C/Cl 575568602 352717960 /nfs/dbraw/zinc/71/79/60/352717960.db2.gz FIPXSGGITMYGFL-HVCAEDSRSA-N 0 0 158.628 2.354 10 30 AEEERN [N-]=[N+]=Nc1cc(C(F)(F)F)cnn1 575568938 352718423 /nfs/dbraw/zinc/71/84/23/352718423.db2.gz DLYNKQDTLGOWEV-UHFFFAOYSA-N 0 0 189.100 2.437 10 30 AEEERN O=[N+]([O-])c1cc(F)ccc1CS 575569480 352721393 /nfs/dbraw/zinc/72/13/93/352721393.db2.gz KKMOEIVNBVXJRR-UHFFFAOYSA-N 0 0 187.195 2.164 10 30 AEEERN C[C@H]1C[C@]1(C)C(=O)C1=COCCC1 575569906 352723249 /nfs/dbraw/zinc/72/32/49/352723249.db2.gz FDLKDNMTCRSOQR-KWQFWETISA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1C[C@@]1(C)C(=O)C1=COCCC1 575569895 352723288 /nfs/dbraw/zinc/72/32/88/352723288.db2.gz FDLKDNMTCRSOQR-GZMMTYOYSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1C[C@]1(C)C(=O)C1=COCCC1 575569903 352723327 /nfs/dbraw/zinc/72/33/27/352723327.db2.gz FDLKDNMTCRSOQR-KCJUWKMLSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1C[C@@]1(C)C(=O)C1=COCCC1 575569909 352723351 /nfs/dbraw/zinc/72/33/51/352723351.db2.gz FDLKDNMTCRSOQR-LDYMZIIASA-N 0 0 180.247 2.296 10 30 AEEERN [N-]=[N+]=Nc1nccnc1C1CC1 575570371 352725496 /nfs/dbraw/zinc/72/54/96/352725496.db2.gz WPAWHIYPYSDVPW-UHFFFAOYSA-N 0 0 161.168 2.296 10 30 AEEERN C=CCC(=O)[C@@]1(C)C[C@H]1C 575570633 352726733 /nfs/dbraw/zinc/72/67/33/352726733.db2.gz HIRPSOUYUCRVKN-APPZFPTMSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCC(=O)[C@]1(C)C[C@H]1C 575570638 352726985 /nfs/dbraw/zinc/72/69/85/352726985.db2.gz HIRPSOUYUCRVKN-VXNVDRBHSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCC(=O)[C@]1(C)C[C@@H]1C 575570637 352727113 /nfs/dbraw/zinc/72/71/13/352727113.db2.gz HIRPSOUYUCRVKN-IONNQARKSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCC(=O)[C@@]1(C)C[C@@H]1C 575570635 352727137 /nfs/dbraw/zinc/72/71/37/352727137.db2.gz HIRPSOUYUCRVKN-CBAPKCEASA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc(CS)c(Cl)n1 575571029 352728967 /nfs/dbraw/zinc/72/89/67/352728967.db2.gz RLVYSIRKESTLDD-UHFFFAOYSA-N 0 0 173.668 2.473 10 30 AEEERN C[C@H]1C[C@]1(C)C(=O)C1=CCCCO1 575571169 352729360 /nfs/dbraw/zinc/72/93/60/352729360.db2.gz ICMDONFRFFQGAU-KWQFWETISA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1C[C@]1(C)C(=O)C1=CCCCO1 575571168 352729364 /nfs/dbraw/zinc/72/93/64/352729364.db2.gz ICMDONFRFFQGAU-KCJUWKMLSA-N 0 0 180.247 2.296 10 30 AEEERN C[C@@H]1C[C@@]1(C)C(=O)C1=CCCCO1 575571171 352729695 /nfs/dbraw/zinc/72/96/95/352729695.db2.gz ICMDONFRFFQGAU-LDYMZIIASA-N 0 0 180.247 2.296 10 30 AEEERN C[C@H]1C[C@@]1(C)C(=O)C1=CCCCO1 575571167 352729853 /nfs/dbraw/zinc/72/98/53/352729853.db2.gz ICMDONFRFFQGAU-GZMMTYOYSA-N 0 0 180.247 2.296 10 30 AEEERN O=C1C=C(C[C@@H]2CCCOC2)CC1 575571327 352730093 /nfs/dbraw/zinc/73/00/93/352730093.db2.gz NHRQLNVTCSCMFS-JTQLQIEISA-N 0 0 180.247 2.092 10 30 AEEERN O=C1C=C(C[C@H]2CCCOC2)CC1 575571329 352730564 /nfs/dbraw/zinc/73/05/64/352730564.db2.gz NHRQLNVTCSCMFS-SNVBAGLBSA-N 0 0 180.247 2.092 10 30 AEEERN N#CCC(=O)[C@@H]1CCCC12CC2 575572202 352735195 /nfs/dbraw/zinc/73/51/95/352735195.db2.gz QKYQEVALRBRBPU-QMMMGPOBSA-N 0 0 163.220 2.049 10 30 AEEERN N#CCC(=O)[C@H]1CCCC12CC2 575572201 352735336 /nfs/dbraw/zinc/73/53/36/352735336.db2.gz QKYQEVALRBRBPU-MRVPVSSYSA-N 0 0 163.220 2.049 10 30 AEEERN Cc1nsc(N[C@@H](C)CF)c1C#N 575572861 352738647 /nfs/dbraw/zinc/73/86/47/352738647.db2.gz QRPBLISCHBCSSI-YFKPBYRVSA-N 0 0 199.254 2.093 10 30 AEEERN Cc1nsc(N[C@H](C)CF)c1C#N 575572860 352738912 /nfs/dbraw/zinc/73/89/12/352738912.db2.gz QRPBLISCHBCSSI-RXMQYKEDSA-N 0 0 199.254 2.093 10 30 AEEERN CC#CCC(=O)[C@]1(C)C[C@H]1C 575573187 352740177 /nfs/dbraw/zinc/74/01/77/352740177.db2.gz UTSCBZDPDLRPCY-PSASIEDQSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@]1(C)C[C@@H]1C 575573195 352740454 /nfs/dbraw/zinc/74/04/54/352740454.db2.gz UTSCBZDPDLRPCY-WCBMZHEXSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@@]1(C)C[C@H]1C 575573189 352740410 /nfs/dbraw/zinc/74/04/10/352740410.db2.gz UTSCBZDPDLRPCY-SCZZXKLOSA-N 0 0 150.221 2.015 10 30 AEEERN CC#CCC(=O)[C@@]1(C)C[C@@H]1C 575573196 352740466 /nfs/dbraw/zinc/74/04/66/352740466.db2.gz UTSCBZDPDLRPCY-WPRPVWTQSA-N 0 0 150.221 2.015 10 30 AEEERN C=C(C)C(=O)[C@]1(C)C[C@H]1C 575573817 352742978 /nfs/dbraw/zinc/74/29/78/352742978.db2.gz YJWQBHRXUALTTE-VXNVDRBHSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@@]1(C)C[C@H]1C 575573814 352743032 /nfs/dbraw/zinc/74/30/32/352743032.db2.gz YJWQBHRXUALTTE-APPZFPTMSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@@]1(C)C[C@@H]1C 575573815 352743047 /nfs/dbraw/zinc/74/30/47/352743047.db2.gz YJWQBHRXUALTTE-CBAPKCEASA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)C(=O)[C@]1(C)C[C@@H]1C 575573816 352743250 /nfs/dbraw/zinc/74/32/50/352743250.db2.gz YJWQBHRXUALTTE-IONNQARKSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1cccnc1SCCS 575574782 352748148 /nfs/dbraw/zinc/74/81/48/352748148.db2.gz AORXTEABGHUJBB-UHFFFAOYSA-N 0 0 185.317 2.412 10 30 AEEERN CC1(C)CC(C(=O)C2=COCC2)C1 575575541 352752343 /nfs/dbraw/zinc/75/23/43/352752343.db2.gz HOVBGOBDLULTKA-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN N#CCNc1ccc(Cl)cc1C#N 575575904 352753853 /nfs/dbraw/zinc/75/38/53/352753853.db2.gz OHOYUZIHVVLEMD-UHFFFAOYSA-N 0 0 191.621 2.147 10 30 AEEERN C#CCC(=O)C1CC(C)(C)C1 575577266 352760676 /nfs/dbraw/zinc/76/06/76/352760676.db2.gz PBUAWPZUTNTOQR-UHFFFAOYSA-N 0 0 150.221 2.015 10 30 AEEERN CC(=O)C=C(C)c1nc(C)cs1 575577583 352762447 /nfs/dbraw/zinc/76/24/47/352762447.db2.gz ICVGRNIHHRUQSH-XQRVVYSFSA-N 0 0 181.260 2.444 10 30 AEEERN CC#CCC(=O)C1CC(C)(C)C1 575578302 352766710 /nfs/dbraw/zinc/76/67/10/352766710.db2.gz UCYBFRZWPPFQOZ-UHFFFAOYSA-N 0 0 164.248 2.405 10 30 AEEERN C/C=C/C(=O)[C@]1(C)C[C@@H]1C 575578450 352767697 /nfs/dbraw/zinc/76/76/97/352767697.db2.gz AMLDTUUJOVUQAY-HXOXMVQHSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@]1(C)C[C@H]1C 575578452 352767754 /nfs/dbraw/zinc/76/77/54/352767754.db2.gz AMLDTUUJOVUQAY-JSRGBMGHSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@@]1(C)C[C@@H]1C 575578455 352767757 /nfs/dbraw/zinc/76/77/57/352767757.db2.gz AMLDTUUJOVUQAY-OIAKKESJSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575578529 352767851 /nfs/dbraw/zinc/76/78/51/352767851.db2.gz CGQXHOUHBZXWPC-IICZXZROSA-N 0 0 186.201 2.423 10 30 AEEERN C/C=C/C(=O)[C@@]1(C)C[C@H]1C 575578451 352767966 /nfs/dbraw/zinc/76/79/66/352767966.db2.gz AMLDTUUJOVUQAY-HZMPTLLJSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@H]1C[C@H]1CC 575578560 352768510 /nfs/dbraw/zinc/76/85/10/352768510.db2.gz DFYHWTMHMVSLCU-UPULXCRASA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@@H]1C[C@H]1CC 575578559 352768559 /nfs/dbraw/zinc/76/85/59/352768559.db2.gz DFYHWTMHMVSLCU-LFHXBRCSSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@H]1C[C@@H]1CC 575578561 352768570 /nfs/dbraw/zinc/76/85/70/352768570.db2.gz DFYHWTMHMVSLCU-VKTMEOEOSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)[C@@H]1C[C@@H]1CC 575578558 352768688 /nfs/dbraw/zinc/76/86/88/352768688.db2.gz DFYHWTMHMVSLCU-IQPYVPGXSA-N 0 0 138.210 2.178 10 30 AEEERN C/C=C/C(=O)C1CCSCC1 575578729 352768701 /nfs/dbraw/zinc/76/87/01/352768701.db2.gz DYRXYPPBLCAKQL-NSCUHMNNSA-N 0 0 170.277 2.275 10 30 AEEERN C/C=C/C(=O)C(F)(F)CC 575578865 352769311 /nfs/dbraw/zinc/76/93/11/352769311.db2.gz FKVKSZMBNRXHBD-HWKANZROSA-N 0 0 148.152 2.177 10 30 AEEERN C/C=C/C(=O)c1ccncc1Cl 575578822 352769445 /nfs/dbraw/zinc/76/94/45/352769445.db2.gz FIDBMMRRJHJZKB-NSCUHMNNSA-N 0 0 181.622 2.494 10 30 AEEERN C/C=C/C(=O)C1CC(C)C1 575578969 352770191 /nfs/dbraw/zinc/77/01/91/352770191.db2.gz HAMKVCZGNRSTAJ-ONEGZZNKSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1ccc([C@](C)(O)C=O)c(Cl)c1 575579334 352771321 /nfs/dbraw/zinc/77/13/21/352771321.db2.gz LGTXKLQYIRQSJF-SNVBAGLBSA-N 0 0 198.649 2.055 10 30 AEEERN C/C=C/C(=O)c1ccc(C)cn1 575579255 352771436 /nfs/dbraw/zinc/77/14/36/352771436.db2.gz JLDGJRLHQIDEHQ-ONEGZZNKSA-N 0 0 161.204 2.149 10 30 AEEERN Cc1ccc([C@@](C)(O)C=O)c(Cl)c1 575579333 352771530 /nfs/dbraw/zinc/77/15/30/352771530.db2.gz LGTXKLQYIRQSJF-JTQLQIEISA-N 0 0 198.649 2.055 10 30 AEEERN C/C=C/C(=O)C1(CC)CC1 575579266 352771543 /nfs/dbraw/zinc/77/15/43/352771543.db2.gz JUCWLILARSZHSF-HWKANZROSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C/C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 575579242 352771732 /nfs/dbraw/zinc/77/17/32/352771732.db2.gz IHFPEHNFCPKLJC-QOGBDSRBSA-N 0 0 150.221 2.178 10 30 AEEERN C/C=C/C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575579243 352771757 /nfs/dbraw/zinc/77/17/57/352771757.db2.gz IHFPEHNFCPKLJC-UWLLFCBRSA-N 0 0 150.221 2.178 10 30 AEEERN CC1(C)CC(C(=O)C2=CCCO2)C1 575579716 352772658 /nfs/dbraw/zinc/77/26/58/352772658.db2.gz YURFUYGKNOIFJY-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN C/C=C/C(=O)c1coc(C)c1 575579831 352773474 /nfs/dbraw/zinc/77/34/74/352773474.db2.gz OFURSRFNSJIQPN-ONEGZZNKSA-N 0 0 150.177 2.347 10 30 AEEERN C/C=C/C(=O)c1cncc(Cl)c1 575579829 352773585 /nfs/dbraw/zinc/77/35/85/352773585.db2.gz ODJWRNMKYBSIEX-NSCUHMNNSA-N 0 0 181.622 2.494 10 30 AEEERN C/C=C/C(=O)CC1(C)CC1 575579978 352774944 /nfs/dbraw/zinc/77/49/44/352774944.db2.gz PXYUTDCRDALMOW-ONEGZZNKSA-N 0 0 138.210 2.322 10 30 AEEERN C/C=C/C(=O)[C@H]1C[C@H]1C1CC1 575580029 352774948 /nfs/dbraw/zinc/77/49/48/352774948.db2.gz RJDFYTVXIQKDSY-JKRGSOBMSA-N 0 0 150.221 2.178 10 30 AEEERN C/C=C/C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 575580018 352774961 /nfs/dbraw/zinc/77/49/61/352774961.db2.gz QYHALSCYHZOVSC-RPLJBFFBSA-N 0 0 182.263 2.191 10 30 AEEERN C/C=C/C(=O)c1cccnc1C 575579975 352774966 /nfs/dbraw/zinc/77/49/66/352774966.db2.gz PVNFIFZFSSAHLD-HWKANZROSA-N 0 0 161.204 2.149 10 30 AEEERN C/C=C/C(=O)c1cnc(C)cc1C 575580033 352775012 /nfs/dbraw/zinc/77/50/12/352775012.db2.gz RKLHWMVQJSOYBR-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN C/C=C/C(=O)c1cc(C)cc(N)c1 575580036 352775047 /nfs/dbraw/zinc/77/50/47/352775047.db2.gz RPZLXIHBNQIYME-ONEGZZNKSA-N 0 0 175.231 2.336 10 30 AEEERN C/C=C/C(=O)[C@@H]1C[C@H]1C1CC1 575580027 352775107 /nfs/dbraw/zinc/77/51/07/352775107.db2.gz RJDFYTVXIQKDSY-AHQHDXANSA-N 0 0 150.221 2.178 10 30 AEEERN C/C=C/C(=O)C(C)(C)C(F)F 575580086 352775118 /nfs/dbraw/zinc/77/51/18/352775118.db2.gz UNUHVCHHUZRWQO-SNAWJCMRSA-N 0 0 162.179 2.423 10 30 AEEERN C/C=C/C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 575580017 352775137 /nfs/dbraw/zinc/77/51/37/352775137.db2.gz QYHALSCYHZOVSC-QCDNTWRDSA-N 0 0 182.263 2.191 10 30 AEEERN C/C=C/C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 575580015 352775165 /nfs/dbraw/zinc/77/51/65/352775165.db2.gz QYHALSCYHZOVSC-GHXVNTLYSA-N 0 0 182.263 2.191 10 30 AEEERN C/C=C/C(=O)c1ccc(C)nc1C 575580081 352775177 /nfs/dbraw/zinc/77/51/77/352775177.db2.gz UCDAXPRZSQGEQQ-SNAWJCMRSA-N 0 0 175.231 2.457 10 30 AEEERN C/C=C/C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 575580016 352775223 /nfs/dbraw/zinc/77/52/23/352775223.db2.gz QYHALSCYHZOVSC-JLJCMUEKSA-N 0 0 182.263 2.191 10 30 AEEERN C/C=C/C(=O)[C@@H]1C[C@@H]1C1CC1 575580030 352775252 /nfs/dbraw/zinc/77/52/52/352775252.db2.gz RJDFYTVXIQKDSY-KHVQUVQLSA-N 0 0 150.221 2.178 10 30 AEEERN C/C=C/C(=O)[C@]12CCC[C@H]1C2 575580079 352775275 /nfs/dbraw/zinc/77/52/75/352775275.db2.gz TYHWWUISWXUABH-ZBIIHGBJSA-N 0 0 150.221 2.322 10 30 AEEERN C/C=C/C(=O)[C@@]12CCC[C@@H]1C2 575580078 352775295 /nfs/dbraw/zinc/77/52/95/352775295.db2.gz TYHWWUISWXUABH-NZHLOLCQSA-N 0 0 150.221 2.322 10 30 AEEERN C/C=C/C(=O)[C@H]1C[C@@H]1C1CC1 575580028 352775316 /nfs/dbraw/zinc/77/53/16/352775316.db2.gz RJDFYTVXIQKDSY-ALCGYSGWSA-N 0 0 150.221 2.178 10 30 AEEERN C[C@H](CF)Nc1ccc(C#N)cc1 575580112 352775575 /nfs/dbraw/zinc/77/55/75/352775575.db2.gz PIKHPOOTDLXLLO-MRVPVSSYSA-N 0 0 178.210 2.328 10 30 AEEERN C[C@@H](CF)Nc1ccc(C#N)cc1 575580113 352775780 /nfs/dbraw/zinc/77/57/80/352775780.db2.gz PIKHPOOTDLXLLO-QMMMGPOBSA-N 0 0 178.210 2.328 10 30 AEEERN C/C=C/C(=O)[C@@H]1[C@H]2CCC[C@H]21 575580273 352776478 /nfs/dbraw/zinc/77/64/78/352776478.db2.gz ZHPBLRSREFMZPC-QZAUWNRFSA-N 0 0 150.221 2.178 10 30 AEEERN COCC#CCNc1cscc1C 575580249 352776582 /nfs/dbraw/zinc/77/65/82/352776582.db2.gz XXLVOWIJRRICLE-UHFFFAOYSA-N 0 0 195.287 2.118 10 30 AEEERN C[C@H](CF)Nc1cccc(C#N)c1 575580670 352778801 /nfs/dbraw/zinc/77/88/01/352778801.db2.gz WMERNLIBCDFJDS-MRVPVSSYSA-N 0 0 178.210 2.328 10 30 AEEERN C[C@@H](CF)Nc1cccc(C#N)c1 575580671 352779026 /nfs/dbraw/zinc/77/90/26/352779026.db2.gz WMERNLIBCDFJDS-QMMMGPOBSA-N 0 0 178.210 2.328 10 30 AEEERN CC(C)c1cnc(CS)o1 575585526 352802770 /nfs/dbraw/zinc/80/27/70/352802770.db2.gz HEIWUARWASBHJS-UHFFFAOYSA-N 0 0 157.238 2.228 10 30 AEEERN C#CCNc1ccc(O)cc1Cl 575585771 352804314 /nfs/dbraw/zinc/80/43/14/352804314.db2.gz MZXVLWVNUXYVJM-UHFFFAOYSA-N 0 0 181.622 2.091 10 30 AEEERN O=C(/C=C/Cl)[C@@H]1CC12CC2 575586127 352805853 /nfs/dbraw/zinc/80/58/53/352805853.db2.gz ZPSTZBNWHFQVBS-HBAKDTRXSA-N 0 0 156.612 2.108 10 30 AEEERN O=C(/C=C/Cl)[C@H]1CC12CC2 575586129 352806236 /nfs/dbraw/zinc/80/62/36/352806236.db2.gz ZPSTZBNWHFQVBS-VMQRWORZSA-N 0 0 156.612 2.108 10 30 AEEERN CC1(C)C[C@@H]1[C@H]1CC[C@](C)(C=O)O1 575586442 352807419 /nfs/dbraw/zinc/80/74/19/352807419.db2.gz BTUQJZKRWCXXAQ-FXPVBKGRSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@H]1[C@@H]1CC[C@](C)(C=O)O1 575586441 352807430 /nfs/dbraw/zinc/80/74/30/352807430.db2.gz BTUQJZKRWCXXAQ-ATZCPNFKSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1CCCC[C@H]1NC1(C#N)CC1 575586500 352807469 /nfs/dbraw/zinc/80/74/69/352807469.db2.gz CWLYTYNIKLHALX-NXEZZACHSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H]1CCCC[C@@H]1NC1(C#N)CC1 575586501 352807497 /nfs/dbraw/zinc/80/74/97/352807497.db2.gz CWLYTYNIKLHALX-UWVGGRQHSA-N 0 0 178.279 2.211 10 30 AEEERN C[C@H]1CCCC[C@H]1NC1(C#N)CC1 575586502 352807503 /nfs/dbraw/zinc/80/75/03/352807503.db2.gz CWLYTYNIKLHALX-VHSXEESVSA-N 0 0 178.279 2.211 10 30 AEEERN CC1(C)C[C@H]1[C@H]1CC[C@](C)(C=O)O1 575586443 352807511 /nfs/dbraw/zinc/80/75/11/352807511.db2.gz BTUQJZKRWCXXAQ-IQJOONFLSA-N 0 0 182.263 2.169 10 30 AEEERN C[C@@H]1CCCC[C@@H]1NC1(C#N)CC1 575586503 352807604 /nfs/dbraw/zinc/80/76/04/352807604.db2.gz CWLYTYNIKLHALX-ZJUUUORDSA-N 0 0 178.279 2.211 10 30 AEEERN CC1(C)C[C@@H]1[C@@H]1CC[C@](C)(C=O)O1 575586444 352807739 /nfs/dbraw/zinc/80/77/39/352807739.db2.gz BTUQJZKRWCXXAQ-WCABBAIRSA-N 0 0 182.263 2.169 10 30 AEEERN O=C(C1=COCCC1)c1ccsn1 575587038 352810383 /nfs/dbraw/zinc/81/03/83/352810383.db2.gz ALIROFDMOIUAMD-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN C/C=C/C(=O)c1cccc(N)c1 575587522 352812796 /nfs/dbraw/zinc/81/27/96/352812796.db2.gz FUTSHQNQEOILEJ-DUXPYHPUSA-N 0 0 161.204 2.028 10 30 AEEERN O=C(C1=COCCC1)c1ccns1 575588089 352816016 /nfs/dbraw/zinc/81/60/16/352816016.db2.gz GYDWKEVEITYPTJ-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN C/C=C/C(=O)c1ccc(C)c(N)c1 575588307 352816721 /nfs/dbraw/zinc/81/67/21/352816721.db2.gz IYRVFWRSMMINIE-ONEGZZNKSA-N 0 0 175.231 2.336 10 30 AEEERN C/C=C/C(=O)c1cccc(N)c1C 575588957 352820390 /nfs/dbraw/zinc/82/03/90/352820390.db2.gz KYHUQSMNYMBTRX-HWKANZROSA-N 0 0 175.231 2.336 10 30 AEEERN O=C[C@@H]1CC[C@]2(CCCC23CC3)O1 575589724 352824276 /nfs/dbraw/zinc/82/42/76/352824276.db2.gz PQIFNGVQQFFGBC-ONGXEEELSA-N 0 0 180.247 2.067 10 30 AEEERN O=C[C@H]1CC[C@]2(CCCC23CC3)O1 575589721 352824338 /nfs/dbraw/zinc/82/43/38/352824338.db2.gz PQIFNGVQQFFGBC-KOLCDFICSA-N 0 0 180.247 2.067 10 30 AEEERN O=C[C@H]1CC[C@@]2(CCCC23CC3)O1 575589723 352824803 /nfs/dbraw/zinc/82/48/03/352824803.db2.gz PQIFNGVQQFFGBC-MWLCHTKSSA-N 0 0 180.247 2.067 10 30 AEEERN O=C[C@@H]1CC[C@@]2(CCCC23CC3)O1 575589720 352824823 /nfs/dbraw/zinc/82/48/23/352824823.db2.gz PQIFNGVQQFFGBC-GXSJLCMTSA-N 0 0 180.247 2.067 10 30 AEEERN CC1(C)C[C@@H]1[C@@H]1CCC[C@@H](C=O)O1 575590052 352826008 /nfs/dbraw/zinc/82/60/08/352826008.db2.gz YUEKXZZSXBSPRI-AEJSXWLSSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@@H]1[C@H]1CCC[C@@H](C=O)O1 575590054 352826110 /nfs/dbraw/zinc/82/61/10/352826110.db2.gz YUEKXZZSXBSPRI-IVZWLZJFSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@@H]1[C@H]1CCC[C@H](C=O)O1 575590055 352826462 /nfs/dbraw/zinc/82/64/62/352826462.db2.gz YUEKXZZSXBSPRI-OPRDCNLKSA-N 0 0 182.263 2.169 10 30 AEEERN CC1(C)C[C@@H]1[C@@H]1CCC[C@H](C=O)O1 575590053 352826578 /nfs/dbraw/zinc/82/65/78/352826578.db2.gz YUEKXZZSXBSPRI-BBBLOLIVSA-N 0 0 182.263 2.169 10 30 AEEERN O=C(C1=CCCCO1)c1ccns1 575590328 352826858 /nfs/dbraw/zinc/82/68/58/352826858.db2.gz OSSSIUWKOIUXGF-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN C/C=C/C(=O)c1ccc(N)c(C)c1 575590261 352827148 /nfs/dbraw/zinc/82/71/48/352827148.db2.gz OQEDAMZCJSWAFJ-ONEGZZNKSA-N 0 0 175.231 2.336 10 30 AEEERN C/C=C/C(=O)c1cccc(F)c1N 575590437 352827711 /nfs/dbraw/zinc/82/77/11/352827711.db2.gz PKBMSGYBTAYAHD-DUXPYHPUSA-N 0 0 179.194 2.167 10 30 AEEERN C/C=C/C(=O)c1cccc(N)c1F 575590810 352828719 /nfs/dbraw/zinc/82/87/19/352828719.db2.gz QHPVWGHGKWEJLI-DUXPYHPUSA-N 0 0 179.194 2.167 10 30 AEEERN C/C=C/C(=O)c1ccccc1N 575590798 352829084 /nfs/dbraw/zinc/82/90/84/352829084.db2.gz QAGAIUOHKLIRFY-GORDUTHDSA-N 0 0 161.204 2.028 10 30 AEEERN C/C=C/C(=O)c1ccc(N)c(F)c1 575591306 352832156 /nfs/dbraw/zinc/83/21/56/352832156.db2.gz TWHJGEASTNLRTD-NSCUHMNNSA-N 0 0 179.194 2.167 10 30 AEEERN C/C=C/C(=O)c1cc(C)ccc1N 575591836 352834713 /nfs/dbraw/zinc/83/47/13/352834713.db2.gz VORJAZDDVYJGHG-ONEGZZNKSA-N 0 0 175.231 2.336 10 30 AEEERN O=C(C1=CCCCO1)c1ccsn1 575592159 352836002 /nfs/dbraw/zinc/83/60/02/352836002.db2.gz YZHUEZSUMMOYFQ-UHFFFAOYSA-N 0 0 195.243 2.020 10 30 AEEERN S[C@H]1CCCC12CC2 575592720 352838909 /nfs/dbraw/zinc/83/89/09/352838909.db2.gz IHMHTITVVMXEAY-LURJTMIESA-N 0 0 128.240 2.249 10 30 AEEERN S[C@@H]1CCCC12CC2 575592724 352838925 /nfs/dbraw/zinc/83/89/25/352838925.db2.gz IHMHTITVVMXEAY-ZCFIWIBFSA-N 0 0 128.240 2.249 10 30 AEEERN C[C@H](CS)CC(F)F 575592675 352839214 /nfs/dbraw/zinc/83/92/14/352839214.db2.gz BGJRJCPQGWOIFI-BYPYZUCNSA-N 0 0 140.198 2.208 10 30 AEEERN C[C@@H](CS)CC(F)F 575592676 352839271 /nfs/dbraw/zinc/83/92/71/352839271.db2.gz BGJRJCPQGWOIFI-SCSAIBSYSA-N 0 0 140.198 2.208 10 30 AEEERN S[C@@H](C1CCC1)C1CC1 575592870 352839799 /nfs/dbraw/zinc/83/97/99/352839799.db2.gz QAWAAHCLPGOXGM-QMMMGPOBSA-N 0 0 142.267 2.495 10 30 AEEERN SC1C[C@H]2CC[C@@H](C1)C2 575592897 352840082 /nfs/dbraw/zinc/84/00/82/352840082.db2.gz SOFHWHQWNUKQCG-DHBOJHSNSA-N 0 0 142.267 2.495 10 30 AEEERN S[C@H](C1CCC1)C1CC1 575592866 352840356 /nfs/dbraw/zinc/84/03/56/352840356.db2.gz QAWAAHCLPGOXGM-MRVPVSSYSA-N 0 0 142.267 2.495 10 30 AEEERN CC(C)[C@@H](S)C1CC1 575593006 352840610 /nfs/dbraw/zinc/84/06/10/352840610.db2.gz ZGBWEOQUKAYZMB-SSDOTTSWSA-N 0 0 130.256 2.351 10 30 AEEERN CC(C)[C@H](S)C1CC1 575593022 352840849 /nfs/dbraw/zinc/84/08/49/352840849.db2.gz ZGBWEOQUKAYZMB-ZETCQYMHSA-N 0 0 130.256 2.351 10 30 AEEERN CC(=O)/C=C/[C@H]1C[C@@H]2C[C@@H]2C1 575593837 352845536 /nfs/dbraw/zinc/84/55/36/352845536.db2.gz RNLFFSLQHXNTRW-VWUQCBLASA-N 0 0 150.221 2.178 10 30 AEEERN N#Cc1ccc(C2CCC2)nc1F 575594815 352850710 /nfs/dbraw/zinc/85/07/10/352850710.db2.gz UIPFNOMGHDKWGF-UHFFFAOYSA-N 0 0 176.194 2.360 10 30 AEEERN CC(=O)/C=C1/CCCC12CC2 575595017 352852478 /nfs/dbraw/zinc/85/24/78/352852478.db2.gz RSKYIIAUDSNLIR-CLFYSBASSA-N 0 0 150.221 2.466 10 30 AEEERN CCO/C=C1/CCC2(CC2)C1=O 575595080 352852941 /nfs/dbraw/zinc/85/29/41/352852941.db2.gz UOTOIQYRLDIDEF-FPLPWBNLSA-N 0 0 166.220 2.050 10 30 AEEERN O=C1C=CO[C@]2(CCCC23CC3)C1 575595255 352854630 /nfs/dbraw/zinc/85/46/30/352854630.db2.gz ZAFLCHMOORSBNP-LLVKDONJSA-N 0 0 178.231 2.192 10 30 AEEERN O=C1C=CO[C@@]2(CCCC23CC3)C1 575595256 352854717 /nfs/dbraw/zinc/85/47/17/352854717.db2.gz ZAFLCHMOORSBNP-NSHDSACASA-N 0 0 178.231 2.192 10 30 AEEERN CC(C)(C)c1ccc(C#N)c(F)n1 575596801 352858632 /nfs/dbraw/zinc/85/86/32/352858632.db2.gz JNIBTTSQQHLEMG-UHFFFAOYSA-N 0 0 178.210 2.390 10 30 AEEERN C#CC1(Oc2cccc(Cl)n2)CC1 575596679 352858733 /nfs/dbraw/zinc/85/87/33/352858733.db2.gz XNWQVCVSWQKSPH-UHFFFAOYSA-N 0 0 193.633 2.280 10 30 AEEERN CCCc1cc(C#N)c(F)nc1C 575596806 352858747 /nfs/dbraw/zinc/85/87/47/352858747.db2.gz VWKXFVBNQNNKJH-UHFFFAOYSA-N 0 0 178.210 2.353 10 30 AEEERN C=CCCc1cnc(Cl)n1C 575597091 352859179 /nfs/dbraw/zinc/85/91/79/352859179.db2.gz NNIRICRHVIUOQC-UHFFFAOYSA-N 0 0 170.643 2.192 10 30 AEEERN C=C(Cl)Cc1cnc(Cl)n1C 575597998 352860884 /nfs/dbraw/zinc/86/08/84/352860884.db2.gz WMQABUDIUFPLQO-UHFFFAOYSA-N 0 0 191.061 2.369 10 30 AEEERN CC1(c2ccc(C#N)c(F)n2)CC1 575598427 352861530 /nfs/dbraw/zinc/86/15/30/352861530.db2.gz YRZOPZDFRCCINH-UHFFFAOYSA-N 0 0 176.194 2.144 10 30 AEEERN C#CC1(Oc2ccnc(Cl)c2)CC1 575598213 352861636 /nfs/dbraw/zinc/86/16/36/352861636.db2.gz XFEIQXBWUXHMFZ-UHFFFAOYSA-N 0 0 193.633 2.280 10 30 AEEERN C[C@@H]1CCc2cc(C#N)c(F)nc21 575599415 352862117 /nfs/dbraw/zinc/86/21/17/352862117.db2.gz OAIJKFHXTAVCHJ-ZCFIWIBFSA-N 0 0 176.194 2.142 10 30 AEEERN C[C@H]1CCc2cc(C#N)c(F)nc21 575599411 352862161 /nfs/dbraw/zinc/86/21/61/352862161.db2.gz OAIJKFHXTAVCHJ-LURJTMIESA-N 0 0 176.194 2.142 10 30 AEEERN N#Cc1cc2ccccc2nc1F 575599800 352862957 /nfs/dbraw/zinc/86/29/57/352862957.db2.gz RFEJXMLUVCYVEJ-UHFFFAOYSA-N 0 0 172.162 2.246 10 30 AEEERN C[C@H]1C[C@@H]1c1ccc(C#N)c(F)n1 575600199 352863456 /nfs/dbraw/zinc/86/34/56/352863456.db2.gz TWRKDCNPWZAGHS-XPUUQOCRSA-N 0 0 176.194 2.216 10 30 AEEERN C[C@H]1C[C@H]1c1ccc(C#N)c(F)n1 575600197 352863478 /nfs/dbraw/zinc/86/34/78/352863478.db2.gz TWRKDCNPWZAGHS-POYBYMJQSA-N 0 0 176.194 2.216 10 30 AEEERN C#CC1(Oc2nc(Cl)cs2)CC1 575600145 352863525 /nfs/dbraw/zinc/86/35/25/352863525.db2.gz PTTCHWRHEDEPIQ-UHFFFAOYSA-N 0 0 199.662 2.341 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc(C#N)c(F)n1 575600190 352863581 /nfs/dbraw/zinc/86/35/81/352863581.db2.gz TWRKDCNPWZAGHS-HTRCEHHLSA-N 0 0 176.194 2.216 10 30 AEEERN C[C@@H]1C[C@@H]1c1ccc(C#N)c(F)n1 575600198 352863620 /nfs/dbraw/zinc/86/36/20/352863620.db2.gz TWRKDCNPWZAGHS-SVRRBLITSA-N 0 0 176.194 2.216 10 30 AEEERN CCC1CC(Cn2ccc(C#N)n2)C1 575602094 352865484 /nfs/dbraw/zinc/86/54/84/352865484.db2.gz IDPDSYYVGWGMPC-UHFFFAOYSA-N 0 0 189.262 2.191 10 30 AEEERN Cc1cc(C#N)nn1CC1CC(C)C1 575601841 352865585 /nfs/dbraw/zinc/86/55/85/352865585.db2.gz GBXQDEAUJALHDN-UHFFFAOYSA-N 0 0 189.262 2.109 10 30 AEEERN O/N=C/[C@@H]1C[C@@H]1c1ccc(F)cc1 575602531 352865967 /nfs/dbraw/zinc/86/59/67/352865967.db2.gz QHANECHBIULHRU-JUSCSTBVSA-N 0 0 179.194 2.389 10 30 AEEERN O/N=C/[C@@H]1C[C@H]1c1ccc(F)cc1 575602528 352865983 /nfs/dbraw/zinc/86/59/83/352865983.db2.gz QHANECHBIULHRU-DYMQPKNISA-N 0 0 179.194 2.389 10 30 AEEERN O/N=C/[C@H]1C[C@H]1c1ccc(F)cc1 575602600 352866014 /nfs/dbraw/zinc/86/60/14/352866014.db2.gz QHANECHBIULHRU-XYPNAMMKSA-N 0 0 179.194 2.389 10 30 AEEERN O/N=C/[C@H]1C[C@@H]1c1ccc(F)cc1 575602598 352866241 /nfs/dbraw/zinc/86/62/41/352866241.db2.gz QHANECHBIULHRU-WBISKFQVSA-N 0 0 179.194 2.389 10 30 AEEERN CCc1cc(CC#N)c(F)cc1C#N 575643588 352871490 /nfs/dbraw/zinc/87/14/90/352871490.db2.gz AGEPWSRYPLYGGB-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(F)c(CC#N)cc1C#N 575643763 352871580 /nfs/dbraw/zinc/87/15/80/352871580.db2.gz ASWFTCSPWWVTNT-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(C#N)cc(F)c1CC#N 575644186 352872111 /nfs/dbraw/zinc/87/21/11/352872111.db2.gz DFDJSFWJIVIDRC-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(F)c(CC#N)c(C#N)c1 575643900 352872125 /nfs/dbraw/zinc/87/21/25/352872125.db2.gz BPUUFENBJZYPIH-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(C#N)cc(CC#N)c1F 575644146 352872242 /nfs/dbraw/zinc/87/22/42/352872242.db2.gz CWSVREQYDVVUSM-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(F)c(C#N)c(CC#N)c1 575644263 352872321 /nfs/dbraw/zinc/87/23/21/352872321.db2.gz DLPKJUDZIWEDPS-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1c(C)cc(C#N)cc1CC#N 575644598 352872697 /nfs/dbraw/zinc/87/26/97/352872697.db2.gz AJIVMHVMUCDTGI-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN Cc1cc(F)c(CC#N)c(C#N)c1 575644959 352872939 /nfs/dbraw/zinc/87/29/39/352872939.db2.gz BOCAKRAQNDUNCV-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(CC#N)c(C#N)cc1F 575644491 352872956 /nfs/dbraw/zinc/87/29/56/352872956.db2.gz AAAKOKXBJHXFPJ-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(CC#N)cc(C#N)c1F 575644750 352873065 /nfs/dbraw/zinc/87/30/65/352873065.db2.gz BBXNVAYSXVVVSI-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(F)cc(CC#N)c1C#N 575644963 352873162 /nfs/dbraw/zinc/87/31/62/352873162.db2.gz BOUHBWJNMQKCBQ-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1cc(C)cc(CC#N)c1C#N 575645157 352873616 /nfs/dbraw/zinc/87/36/16/352873616.db2.gz DEOXVEABSVJXMF-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1c(C#N)ccc(CC#N)c1F 575644967 352873659 /nfs/dbraw/zinc/87/36/59/352873659.db2.gz FNOPHWQVWOZAOR-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(F)c(C#N)cc1CC#N 575645017 352873661 /nfs/dbraw/zinc/87/36/61/352873661.db2.gz FZPXXRXGYYTTKQ-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(CC#N)c(C)cc1C#N 575644977 352873666 /nfs/dbraw/zinc/87/36/66/352873666.db2.gz CKEWZKNTVCFCDL-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1c(C)cc(CC#N)cc1C#N 575645116 352873788 /nfs/dbraw/zinc/87/37/88/352873788.db2.gz CTJRZKRJEDIMIN-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(CC#N)c(C#N)cc1F 575645536 352874413 /nfs/dbraw/zinc/87/44/13/352874413.db2.gz JJRYHWWJRTXADI-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(C#N)c(F)c(CC#N)c1 575645485 352874415 /nfs/dbraw/zinc/87/44/15/352874415.db2.gz IXLZUXVOMWGABX-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN Cc1cc(C#N)c(F)cc1CC#N 575645408 352874558 /nfs/dbraw/zinc/87/45/58/352874558.db2.gz FWNOOCVLTMJLFK-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(F)cc(C#N)c1CC#N 575645822 352874561 /nfs/dbraw/zinc/87/45/61/352874561.db2.gz GPXRNZNQBMLBNT-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1c(CC#N)ccc(C#N)c1F 575646323 352874907 /nfs/dbraw/zinc/87/49/07/352874907.db2.gz JLFVHTNLWRHKPP-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(C#N)c(F)c(CC#N)c1 575646245 352874973 /nfs/dbraw/zinc/87/49/73/352874973.db2.gz JFZWCODRABUGOV-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1cc(C#N)c(CC#N)cc1F 575645849 352875230 /nfs/dbraw/zinc/87/52/30/352875230.db2.gz KYRYUMVVAAGPLH-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(CC#N)cc(C#N)c1F 575646730 352875694 /nfs/dbraw/zinc/87/56/94/352875694.db2.gz PLWQXYFUJONQFR-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN Cc1c(F)cc(C#N)cc1CC#N 575646688 352875705 /nfs/dbraw/zinc/87/57/05/352875705.db2.gz KEGUSJPANYNUPP-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1cc(C#N)c(C)cc1CC#N 575647031 352876405 /nfs/dbraw/zinc/87/64/05/352876405.db2.gz KXHFSAXPDXQGCN-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(C)c(CC#N)cc1C#N 575646862 352876440 /nfs/dbraw/zinc/87/64/40/352876440.db2.gz JSOKKTZIHHHWAN-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(C#N)c(F)cc1CC#N 575647231 352876557 /nfs/dbraw/zinc/87/65/57/352876557.db2.gz QPDIENNIXUHRHL-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(C)c(C#N)c(CC#N)c1 575646994 352876579 /nfs/dbraw/zinc/87/65/79/352876579.db2.gz KKCQVVBEAXZXJP-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN Cc1cc(C#N)c(CC#N)cc1F 575647645 352877014 /nfs/dbraw/zinc/87/70/14/352877014.db2.gz MOFNYINPUIINPO-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1c(C#N)cc(F)cc1CC#N 575647382 352877020 /nfs/dbraw/zinc/87/70/20/352877020.db2.gz SQIJDRAAJOYWMN-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(CC#N)cc(F)c1C#N 575647537 352877024 /nfs/dbraw/zinc/87/70/24/352877024.db2.gz UWIQWIYXIDXOAU-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(CC#N)cc(C)c1C#N 575647605 352877027 /nfs/dbraw/zinc/87/70/27/352877027.db2.gz MNGZYHJPNPKNDE-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN Cc1cc(CC#N)cc(F)c1C#N 575647546 352877054 /nfs/dbraw/zinc/87/70/54/352877054.db2.gz LVCHPTQLIJNKFU-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1c(C#N)cc(F)cc1CC#N 575647692 352877128 /nfs/dbraw/zinc/87/71/28/352877128.db2.gz NFIIZZKOICDUFI-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1cc(C#N)c(CC#N)cc1C 575647485 352877234 /nfs/dbraw/zinc/87/72/34/352877234.db2.gz LVKYJVIDPFMTKQ-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1c(C#N)cc(C)cc1CC#N 575647760 352877653 /nfs/dbraw/zinc/87/76/53/352877653.db2.gz NFFUPLLDTWKRFK-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(C#N)c(C)c(CC#N)c1 575647817 352877812 /nfs/dbraw/zinc/87/78/12/352877812.db2.gz NUGWMIOBLSUEEI-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(C#N)cc(CC#N)c1C 575648139 352877825 /nfs/dbraw/zinc/87/78/25/352877825.db2.gz QAGHDNXIHHOMSJ-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN Cc1cc(C#N)cc(F)c1CC#N 575647735 352877972 /nfs/dbraw/zinc/87/79/72/352877972.db2.gz NLAPXCPXUAYREK-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1c(F)cc(CC#N)cc1C#N 575648611 352878381 /nfs/dbraw/zinc/87/83/81/352878381.db2.gz WYNFXGIUDCQHIO-UHFFFAOYSA-N 0 0 188.205 2.326 10 30 AEEERN CCc1cc(CC#N)c(C#N)cc1C 575649211 352878986 /nfs/dbraw/zinc/87/89/86/352878986.db2.gz UOKWGABYADHUDK-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(CC#N)cc(C#N)c1C 575648998 352879053 /nfs/dbraw/zinc/87/90/53/352879053.db2.gz SIFYLKUEHAGJCS-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(C)c(C#N)cc1CC#N 575650159 352880057 /nfs/dbraw/zinc/88/00/57/352880057.db2.gz WSSQTIVLKFGRMW-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(C#N)cc(C)c1CC#N 575650201 352880113 /nfs/dbraw/zinc/88/01/13/352880113.db2.gz WYVGDFSGIUNPNL-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN Cc1cc(F)c(C#N)c(CC#N)c1 575650125 352880209 /nfs/dbraw/zinc/88/02/09/352880209.db2.gz ZRPCXNCJRJLDOH-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(CC#N)c(F)cc1C#N 575650062 352880311 /nfs/dbraw/zinc/88/03/11/352880311.db2.gz YXOBSAWLHJRJEK-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN Cc1cc(C#N)cc(CC#N)c1F 575650071 352880421 /nfs/dbraw/zinc/88/04/21/352880421.db2.gz ZFZIRVGYHOEQKY-UHFFFAOYSA-N 0 0 174.178 2.072 10 30 AEEERN CCc1cc(C)cc(C#N)c1CC#N 575650358 352880828 /nfs/dbraw/zinc/88/08/28/352880828.db2.gz YLVSHOYUNDYZPW-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1c(C#N)ccc(CC#N)c1C 575650366 352880951 /nfs/dbraw/zinc/88/09/51/352880951.db2.gz YOCZPUJUSWQGAS-UHFFFAOYSA-N 0 0 184.242 2.495 10 30 AEEERN CCc1cc(CC)c(C#N)cc1O 575652263 352881535 /nfs/dbraw/zinc/88/15/35/352881535.db2.gz NWQNFJFFGHQJLU-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1cc(C#N)cc(O)c1CC 575652054 352881446 /nfs/dbraw/zinc/88/14/46/352881446.db2.gz JSRCIDXXWSPZIZ-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1cc(O)c(CC)c(C#N)c1 575652038 352881527 /nfs/dbraw/zinc/88/15/27/352881527.db2.gz JGWLZKMKMSAMSJ-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1ccc(O)c(CC)c1C#N 575652095 352881691 /nfs/dbraw/zinc/88/16/91/352881691.db2.gz LFDHLAKDNUALMA-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1cc(C#N)c(O)c(CC)c1 575652458 352882251 /nfs/dbraw/zinc/88/22/51/352882251.db2.gz SFVUQCPHPKZCHA-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1cc(C#N)c(CC)cc1O 575652332 352882264 /nfs/dbraw/zinc/88/22/64/352882264.db2.gz PSUFQUWXSCGBME-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1cc(O)c(C#N)c(CC)c1 575652724 352882344 /nfs/dbraw/zinc/88/23/44/352882344.db2.gz WTFBQXJLIAHRKL-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1cc(O)c(C#N)cc1CC 575652435 352882351 /nfs/dbraw/zinc/88/23/51/352882351.db2.gz RQCFWVVXPSRXSE-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1ccc(O)c(C#N)c1CC 575652800 352882605 /nfs/dbraw/zinc/88/26/05/352882605.db2.gz ZWGFJSXABLKQDE-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1ccc(CC)c(C#N)c1O 575652400 352882675 /nfs/dbraw/zinc/88/26/75/352882675.db2.gz QQIKWDSFDXMOIO-UHFFFAOYSA-N 0 0 175.231 2.389 10 30 AEEERN CCc1ccc(F)c([N+](=O)[O-])c1C#N 575670497 352884414 /nfs/dbraw/zinc/88/44/14/352884414.db2.gz JPPYBPNEXRDSBP-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1c(F)ccc(C)c1C#N 575669839 352884426 /nfs/dbraw/zinc/88/44/26/352884426.db2.gz AKYGDGUBHVQGAF-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1cc([N+](=O)[O-])cc(C#N)c1F 575670088 352884440 /nfs/dbraw/zinc/88/44/40/352884440.db2.gz CXDPGTFIRLGVQW-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(C#N)c(C)cc1F 575670230 352884469 /nfs/dbraw/zinc/88/44/69/352884469.db2.gz HGGKETCCLSOAAG-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1c(O)cc(C#N)cc1CC 575670254 352884480 /nfs/dbraw/zinc/88/44/80/352884480.db2.gz HPDSYEFGYZHDPM-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1cc(F)c(C#N)cc1C 575670237 352884490 /nfs/dbraw/zinc/88/44/90/352884490.db2.gz HIWMCJCWNGTVPC-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(O)c(C#N)c(CC)c1 575669921 352884499 /nfs/dbraw/zinc/88/44/99/352884499.db2.gz BGDIMSLVZRVLHN-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1ccc(C#N)c(C)c1F 575670149 352884523 /nfs/dbraw/zinc/88/45/23/352884523.db2.gz FOISGEQOZRHHOR-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1cc(F)c([N+](=O)[O-])cc1C#N 575670498 352884551 /nfs/dbraw/zinc/88/45/51/352884551.db2.gz JQNZBKOMVCVVNC-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(C#N)c(F)c([N+](=O)[O-])c1 575670415 352884561 /nfs/dbraw/zinc/88/45/61/352884561.db2.gz HEUOYAQPANBENT-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1ccc(C#N)c([N+](=O)[O-])c1F 575670093 352884573 /nfs/dbraw/zinc/88/45/73/352884573.db2.gz DHIZSWMEQPWNNY-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(CC)cc(C#N)c1O 575669996 352884597 /nfs/dbraw/zinc/88/45/97/352884597.db2.gz CIPJMCNGPUTOGH-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1cc([N+](=O)[O-])c(F)cc1C#N 575669880 352884606 /nfs/dbraw/zinc/88/46/06/352884606.db2.gz AIFNENHDWOUFFD-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1ccc(C)c(C#N)c1F 575670025 352884666 /nfs/dbraw/zinc/88/46/66/352884666.db2.gz CTXCYSFRBMHSTM-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1cc(F)c(C#N)c([N+](=O)[O-])c1 575670382 352884708 /nfs/dbraw/zinc/88/47/08/352884708.db2.gz GSLXIIQIPLWOKK-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1c(C#N)ccc([N+](=O)[O-])c1F 575670074 352884731 /nfs/dbraw/zinc/88/47/31/352884731.db2.gz CCJXHLRFGAAFLT-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(F)c(C)cc1C#N 575670028 352884737 /nfs/dbraw/zinc/88/47/37/352884737.db2.gz CXANKVPTTJKGTH-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(CC)c(O)cc1C#N 575669992 352884799 /nfs/dbraw/zinc/88/47/99/352884799.db2.gz CFERVYAXDWDNRB-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1cc(C#N)c([N+](=O)[O-])cc1F 575670489 352884809 /nfs/dbraw/zinc/88/48/09/352884809.db2.gz JBDYYNKJSJWPEP-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1c([N+](=O)[O-])ccc(F)c1C#N 575669910 352884815 /nfs/dbraw/zinc/88/48/15/352884815.db2.gz AIYYNYGVSLCFCC-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1c(C)ccc(F)c1C#N 575670066 352884819 /nfs/dbraw/zinc/88/48/19/352884819.db2.gz FGEAAIOZIYOWBC-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C)c(F)cc1C#N 575670012 352884838 /nfs/dbraw/zinc/88/48/38/352884838.db2.gz CRTNNBYYNASABF-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(O)cc(C#N)c1CC 575670338 352884865 /nfs/dbraw/zinc/88/48/65/352884865.db2.gz JVKNFNVDLQJIBQ-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1ccc([N+](=O)[O-])c(F)c1C#N 575669922 352884883 /nfs/dbraw/zinc/88/48/83/352884883.db2.gz AOSWJWKQWOOMKR-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(CC)cc(O)c1C#N 575670325 352884889 /nfs/dbraw/zinc/88/48/89/352884889.db2.gz JMGPQAXIYRGCER-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1cc(C)cc(F)c1C#N 575670042 352884905 /nfs/dbraw/zinc/88/49/05/352884905.db2.gz DGHIEXVECVAXLA-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C#N)c(O)c(CC)c1 575669914 352884911 /nfs/dbraw/zinc/88/49/11/352884911.db2.gz BDSSDJKSPLTHSL-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1cc(C#N)cc(O)c1CC 575670272 352884921 /nfs/dbraw/zinc/88/49/21/352884921.db2.gz ICYGQCSWOAFPDM-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1c(C#N)ccc(F)c1[N+](=O)[O-] 575670508 352884978 /nfs/dbraw/zinc/88/49/78/352884978.db2.gz KGSCOBHSPVXCNL-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(O)cc(CC)c1C#N 575670155 352884992 /nfs/dbraw/zinc/88/49/92/352884992.db2.gz FQAXEUNKAFPHBU-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1cc(O)c(C#N)cc1CC 575670551 352885245 /nfs/dbraw/zinc/88/52/45/352885245.db2.gz LNRNHZOLBXVKRN-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1c(O)cc(CC)cc1C#N 575671100 352885277 /nfs/dbraw/zinc/88/52/77/352885277.db2.gz UGBDIXAGXRCBCN-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1cc(F)c([N+](=O)[O-])c(C#N)c1 575670940 352885282 /nfs/dbraw/zinc/88/52/82/352885282.db2.gz OAEAPDWQZBGDHS-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(CC)c(C#N)cc1O 575670590 352885303 /nfs/dbraw/zinc/88/53/03/352885303.db2.gz OBAKCZKUQHRCIO-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1ccc(F)c(C#N)c1[N+](=O)[O-] 575670532 352885313 /nfs/dbraw/zinc/88/53/13/352885313.db2.gz LCRIPBRNKNIOOD-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(O)c(CC)c(C#N)c1 575671098 352885317 /nfs/dbraw/zinc/88/53/17/352885317.db2.gz UEVFDHXHICGNGM-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1ccc(C#N)c(F)c1C 575670565 352885329 /nfs/dbraw/zinc/88/53/29/352885329.db2.gz MFQDNBSYWDEACX-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C#N)cc(F)c1C 575670985 352885345 /nfs/dbraw/zinc/88/53/45/352885345.db2.gz RKMDFQYZWJMGMZ-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C#N)c(CC)cc1O 575670987 352885351 /nfs/dbraw/zinc/88/53/51/352885351.db2.gz RKWRHOAGGWNBNE-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1ccc(OC)c(C#N)c1OC 575670744 352885467 /nfs/dbraw/zinc/88/54/67/352885467.db2.gz ABHRERWCEGPOBH-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1cc(F)cc(C#N)c1[N+](=O)[O-] 575670941 352885478 /nfs/dbraw/zinc/88/54/78/352885478.db2.gz OAHSKKXQHXBZPQ-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1ccc(F)c(C#N)c1C 575671016 352885485 /nfs/dbraw/zinc/88/54/85/352885485.db2.gz RWPGADSPRFDINJ-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C#N)c(O)cc1CC 575670594 352885515 /nfs/dbraw/zinc/88/55/15/352885515.db2.gz ODYRPLJJPDNWKM-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCOc1c(C#N)ccc(C)c1F 575670624 352885545 /nfs/dbraw/zinc/88/55/45/352885545.db2.gz PNBJMCMEJZIVAC-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C)c(C#N)c(F)c1 575670907 352885559 /nfs/dbraw/zinc/88/55/59/352885559.db2.gz PNVWWLYUAUINSD-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C#N)cc(C)c1F 575670560 352885587 /nfs/dbraw/zinc/88/55/87/352885587.db2.gz MBLJLGYSSOXLIO-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCOc1cc(C#N)cc(CC)c1O 575671307 352885594 /nfs/dbraw/zinc/88/55/94/352885594.db2.gz WFXSTIPYPDAAEU-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1cc([N+](=O)[O-])c(C#N)cc1F 575670792 352885610 /nfs/dbraw/zinc/88/56/10/352885610.db2.gz LSYMVMIXUBNOBL-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(C#N)cc([N+](=O)[O-])c1F 575671055 352885619 /nfs/dbraw/zinc/88/56/19/352885619.db2.gz PMMWMDXIOHQHKP-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1cc(F)cc(C)c1C#N 575670573 352885704 /nfs/dbraw/zinc/88/57/04/352885704.db2.gz MPAYCNDSAMDIQH-UHFFFAOYSA-N 0 0 179.194 2.405 10 30 AEEERN CCc1cc([N+](=O)[O-])cc(F)c1C#N 575671644 352886098 /nfs/dbraw/zinc/88/60/98/352886098.db2.gz VOJXDGCWYSYJNX-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1c(F)ccc(C#N)c1[N+](=O)[O-] 575671784 352886100 /nfs/dbraw/zinc/88/61/00/352886100.db2.gz XIDGTUGNCAJTBG-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(F)c(C#N)cc1[N+](=O)[O-] 575671514 352886102 /nfs/dbraw/zinc/88/61/02/352886102.db2.gz TURIZFIUYNRQTJ-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCOc1ccc(C#N)c(O)c1CC 575671320 352886106 /nfs/dbraw/zinc/88/61/06/352886106.db2.gz WJWYQLIENDCGTP-UHFFFAOYSA-N 0 0 191.230 2.225 10 30 AEEERN CCc1ccc([N+](=O)[O-])c(C#N)c1F 575671509 352886110 /nfs/dbraw/zinc/88/61/10/352886110.db2.gz SNSSKZMLXLLMNV-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(C#N)c(F)cc1[N+](=O)[O-] 575671888 352886178 /nfs/dbraw/zinc/88/61/78/352886178.db2.gz YUEZEXMPXWJOAD-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN COc1cc(C)cc(OC)c1CC#N 575672858 352886181 /nfs/dbraw/zinc/88/61/81/352886181.db2.gz RAZUUURASVDBTF-UHFFFAOYSA-N 0 0 191.230 2.078 10 30 AEEERN CCc1cc(OC)cc(OC)c1C#N 575671659 352886202 /nfs/dbraw/zinc/88/62/02/352886202.db2.gz NTGGZVHLSMADAP-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCc1c(F)cc([N+](=O)[O-])cc1C#N 575671557 352886212 /nfs/dbraw/zinc/88/62/12/352886212.db2.gz UMCSMIZKUOZUHE-UHFFFAOYSA-N 0 0 194.165 2.168 10 30 AEEERN CCc1cc(C#N)cc(OC)c1OC 575672016 352886232 /nfs/dbraw/zinc/88/62/32/352886232.db2.gz URJVWWPTOPDSSO-UHFFFAOYSA-N 0 0 191.230 2.138 10 30 AEEERN CCOc1cc(F)c(F)c(CC#N)c1 575694015 352886898 /nfs/dbraw/zinc/88/68/98/352886898.db2.gz BTTXHUGYNSVYMJ-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN CCOc1ccc(F)c(F)c1CC#N 575696478 352888084 /nfs/dbraw/zinc/88/80/84/352888084.db2.gz VJEQSLKOUYSFQL-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN CCOc1cc(CC#N)c(F)cc1F 575696569 352888182 /nfs/dbraw/zinc/88/81/82/352888182.db2.gz ZCJPZQJGSAAQKX-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN CCOc1cc(F)cc(CC#N)c1F 575696487 352888243 /nfs/dbraw/zinc/88/82/43/352888243.db2.gz VQZYVYDTQUMUFU-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN CCOc1cc(F)cc(F)c1CC#N 575696472 352888298 /nfs/dbraw/zinc/88/82/98/352888298.db2.gz VGHGWOSOWMHAPI-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN CCc1c(CC#N)ccc(OC)c1F 575701790 352890042 /nfs/dbraw/zinc/89/00/42/352890042.db2.gz IOWLGGIOSWAQCD-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1cc(F)c(OC)cc1CC#N 575701773 352890147 /nfs/dbraw/zinc/89/01/47/352890147.db2.gz HZIBEHDOMLRVSL-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1cc(OC)cc(F)c1CC#N 575701753 352890233 /nfs/dbraw/zinc/89/02/33/352890233.db2.gz GXRVDEFBSISXMV-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1cc(OC)cc(CC#N)c1F 575702129 352890261 /nfs/dbraw/zinc/89/02/61/352890261.db2.gz LEKIWPISOFMDRS-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1c(OC)ccc(CC#N)c1F 575701508 352890526 /nfs/dbraw/zinc/89/05/26/352890526.db2.gz AXDCVOIISNBXMX-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1cc(F)c(CC#N)cc1OC 575701555 352890530 /nfs/dbraw/zinc/89/05/30/352890530.db2.gz DIIJHYOHZUBBEF-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1ccc(OC)c(F)c1CC#N 575701757 352890568 /nfs/dbraw/zinc/89/05/68/352890568.db2.gz HBAYABBDRFXWSH-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CSc1c(F)ccc(CC#N)c1O 575704404 352891279 /nfs/dbraw/zinc/89/12/79/352891279.db2.gz VVXJVQSOXBZYDR-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1ccc(F)c(CC#N)c1O 575704699 352891414 /nfs/dbraw/zinc/89/14/14/352891414.db2.gz BKKZKDUUPRLPPR-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1cc(O)c(CC#N)c(F)c1 575705832 352891771 /nfs/dbraw/zinc/89/17/71/352891771.db2.gz OMLLWWFRCVOLND-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1cc(F)cc(CC#N)c1O 575705801 352891820 /nfs/dbraw/zinc/89/18/20/352891820.db2.gz NSTQAQWBLPKHEW-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1cc(F)c(O)c(CC#N)c1 575705759 352891850 /nfs/dbraw/zinc/89/18/50/352891850.db2.gz MQIFXROGMKKKBS-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1c(F)cc(O)cc1CC#N 575706546 352891967 /nfs/dbraw/zinc/89/19/67/352891967.db2.gz YYCMUNNUGJXLBY-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN COc1cc(C)cc(F)c1CC#N 575707836 352891999 /nfs/dbraw/zinc/89/19/99/352891999.db2.gz IPZJUZQLNMUCFH-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN COc1cc(F)cc(C)c1CC#N 575707827 352892004 /nfs/dbraw/zinc/89/20/04/352892004.db2.gz IOQGLPZEBBOGCQ-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN CSc1cc(F)c(CC#N)cc1O 575706359 352892038 /nfs/dbraw/zinc/89/20/38/352892038.db2.gz UXJSZZJUACAOPX-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1ccc(CC#N)c(O)c1F 575706156 352892102 /nfs/dbraw/zinc/89/21/02/352892102.db2.gz SFMCHYHPTHJLAL-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1ccc(F)c(O)c1CC#N 575706131 352892116 /nfs/dbraw/zinc/89/21/16/352892116.db2.gz RWXLZLRTLJJQGU-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN COc1cc(C)c(CC#N)c(F)c1 575707580 352892235 /nfs/dbraw/zinc/89/22/35/352892235.db2.gz FQGQPMLTPKWHCJ-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN CSc1cc(CC#N)c(F)cc1O 575706525 352892281 /nfs/dbraw/zinc/89/22/81/352892281.db2.gz YOGBCGXILCPDPZ-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CSc1ccc(O)c(CC#N)c1F 575706094 352892300 /nfs/dbraw/zinc/89/23/00/352892300.db2.gz RMJNOJOVNWRQJE-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN COc1ccc(C)c(CC#N)c1F 575708639 352892703 /nfs/dbraw/zinc/89/27/03/352892703.db2.gz SVTQPJAEAQDKTG-UHFFFAOYSA-N 0 0 179.194 2.209 10 30 AEEERN N#CCc1cc(N)cc(Cl)c1F 575715612 352893317 /nfs/dbraw/zinc/89/33/17/352893317.db2.gz LNTMHWAPXNBNHT-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1ccc(F)c(Cl)c1N 575715447 352893346 /nfs/dbraw/zinc/89/33/46/352893346.db2.gz FIVTTWQSWHDMQO-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(N)ccc(F)c1Cl 575715468 352893383 /nfs/dbraw/zinc/89/33/83/352893383.db2.gz GUTFEXOZPRRTRD-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(F)c(N)cc1Cl 575715587 352893388 /nfs/dbraw/zinc/89/33/88/352893388.db2.gz KPROLZHVGQVWRS-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(N)cc(F)cc1Cl 575715524 352893399 /nfs/dbraw/zinc/89/33/99/352893399.db2.gz INDXPWXLEOCWPN-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(F)cc(N)cc1Cl 575715533 352893444 /nfs/dbraw/zinc/89/34/44/352893444.db2.gz IWQZRZFXPATMFU-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(N)c(Cl)c(F)c1 575715435 352893475 /nfs/dbraw/zinc/89/34/75/352893475.db2.gz DMCVGGXHXBGWFT-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(N)cc(F)c1Cl 575715443 352893513 /nfs/dbraw/zinc/89/35/13/352893513.db2.gz DYTIGPHCSJIMIS-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(F)c(Cl)cc1N 575715441 352893615 /nfs/dbraw/zinc/89/36/15/352893615.db2.gz DSRFZZRZZPVYKO-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(F)c(N)c(Cl)c1 575715479 352893642 /nfs/dbraw/zinc/89/36/42/352893642.db2.gz HNBPURJIOZGTAB-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1ccc(N)c(F)c1Cl 575715412 352893677 /nfs/dbraw/zinc/89/36/77/352893677.db2.gz BYVLROCFWCQDKJ-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(F)ccc(Cl)c1N 575715817 352894066 /nfs/dbraw/zinc/89/40/66/352894066.db2.gz SJZZJUUHTKRJMM-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN Cc1ccc(CC#N)c(N)c1Cl 575715952 352894090 /nfs/dbraw/zinc/89/40/90/352894090.db2.gz ANSGVAUEEHGQJT-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN N#CCc1cc(N)c(F)c(Cl)c1 575715832 352894096 /nfs/dbraw/zinc/89/40/96/352894096.db2.gz TXUBUGCPPJFCRF-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(Cl)cc(F)c1N 575715777 352894114 /nfs/dbraw/zinc/89/41/14/352894114.db2.gz QRSOJMGOKKIACL-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN Cc1cc(N)c(CC#N)cc1Cl 575715973 352894131 /nfs/dbraw/zinc/89/41/31/352894131.db2.gz BPFDGRDCYVTOAB-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN N#CCc1ccc(Cl)c(N)c1F 575715819 352894140 /nfs/dbraw/zinc/89/41/40/352894140.db2.gz SOCGZVJPXJENFS-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN Cc1cc(N)c(CC#N)c(Cl)c1 575715966 352894147 /nfs/dbraw/zinc/89/41/47/352894147.db2.gz BCDPYCKHXBAAON-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN N#CCc1c(N)cc(Cl)cc1F 575715637 352894165 /nfs/dbraw/zinc/89/41/65/352894165.db2.gz MKPLNSSSKYYOJX-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(Cl)ccc(N)c1F 575715722 352894214 /nfs/dbraw/zinc/89/42/14/352894214.db2.gz OUGIFACOBPISKJ-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1ccc(F)c(N)c1Cl 575715707 352894219 /nfs/dbraw/zinc/89/42/19/352894219.db2.gz NYXIZDLHMUDVPL-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(N)ccc(Cl)c1F 575715732 352894223 /nfs/dbraw/zinc/89/42/23/352894223.db2.gz PDBSNMRFMAPSJV-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(Cl)c(N)cc1F 575715705 352894234 /nfs/dbraw/zinc/89/42/34/352894234.db2.gz NYJKYIHRSHSRKI-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(Cl)ccc(F)c1N 575715923 352894250 /nfs/dbraw/zinc/89/42/50/352894250.db2.gz ZEGVHGQAXWWRCM-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(Cl)cc(N)c1F 575715618 352894271 /nfs/dbraw/zinc/89/42/71/352894271.db2.gz LTEINCPAFZSNAL-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(F)cc(N)c1Cl 575715782 352894276 /nfs/dbraw/zinc/89/42/76/352894276.db2.gz QUEGRBDOLAQADE-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN Cc1ccc(Cl)c(N)c1CC#N 575715995 352894292 /nfs/dbraw/zinc/89/42/92/352894292.db2.gz DIQXNZLLBVJMSK-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1ccc(N)c(CC#N)c1Cl 575716665 352895339 /nfs/dbraw/zinc/89/53/39/352895339.db2.gz UUYNRDNXEXJGDX-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN N#CCc1cc(Cl)c(F)cc1N 575715742 352894361 /nfs/dbraw/zinc/89/43/61/352894361.db2.gz PGVLMQFWXCEUNC-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1ccc(Cl)c(F)c1N 575715734 352894383 /nfs/dbraw/zinc/89/43/83/352894383.db2.gz PEGUAQIZEHGSOX-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1c(F)ccc(N)c1Cl 575715719 352894387 /nfs/dbraw/zinc/89/43/87/352894387.db2.gz OSISYFKKDSRBOY-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1cc(F)cc(Cl)c1N 575715846 352894439 /nfs/dbraw/zinc/89/44/39/352894439.db2.gz UQLORWDYKVQAJT-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN N#CCc1ccc(N)c(Cl)c1F 575715632 352894458 /nfs/dbraw/zinc/89/44/58/352894458.db2.gz MFDTUBQIVKJVKY-UHFFFAOYSA-N 0 0 184.601 2.127 10 30 AEEERN Cc1c(Cl)cc(N)cc1CC#N 575716036 352894648 /nfs/dbraw/zinc/89/46/48/352894648.db2.gz GMNAUKOZFKURED-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(CC#N)cc(Cl)c1N 575716020 352894650 /nfs/dbraw/zinc/89/46/50/352894650.db2.gz FTEJUZPGMDGTGG-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1c(N)ccc(Cl)c1CC#N 575716517 352894701 /nfs/dbraw/zinc/89/47/01/352894701.db2.gz RJFOMCVMNVHXAJ-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(Cl)cc(N)c1CC#N 575716107 352894704 /nfs/dbraw/zinc/89/47/04/352894704.db2.gz JYXNPOVOMPNHKY-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(N)cc(CC#N)c1Cl 575716166 352894708 /nfs/dbraw/zinc/89/47/08/352894708.db2.gz MBGPXBRKHAUFPV-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(N)c(Cl)cc1CC#N 575716163 352894712 /nfs/dbraw/zinc/89/47/12/352894712.db2.gz MBDGFZJGGPHWEF-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1ccc(Cl)c(CC#N)c1N 575716248 352894734 /nfs/dbraw/zinc/89/47/34/352894734.db2.gz OYRCYBPBWJGELE-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1c(N)cc(Cl)cc1CC#N 575716243 352894738 /nfs/dbraw/zinc/89/47/38/352894738.db2.gz OVGXCDQBRBRMOR-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1c(Cl)ccc(CC#N)c1N 575716122 352894751 /nfs/dbraw/zinc/89/47/51/352894751.db2.gz LJQHBQQNOSOQKP-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(CC#N)cc(N)c1Cl 575716222 352894766 /nfs/dbraw/zinc/89/47/66/352894766.db2.gz OGMWCZQIQWBRQD-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(Cl)c(N)cc1CC#N 575716125 352894774 /nfs/dbraw/zinc/89/47/74/352894774.db2.gz LKQHBSMOACPYKR-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1c(CC#N)ccc(N)c1Cl 575716130 352894878 /nfs/dbraw/zinc/89/48/78/352894878.db2.gz LOURGBYOJSBFEE-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1c(N)ccc(CC#N)c1Cl 575716169 352894887 /nfs/dbraw/zinc/89/48/87/352894887.db2.gz MEPSRIZJYNRVLX-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(N)c(Cl)c(CC#N)c1 575716203 352894892 /nfs/dbraw/zinc/89/48/92/352894892.db2.gz NDXZEZWWPTUKHS-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1c(CC#N)ccc(Cl)c1N 575716524 352894900 /nfs/dbraw/zinc/89/49/00/352894900.db2.gz RQEOXYZUCUCVBR-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1ccc(N)c(Cl)c1CC#N 575716017 352894930 /nfs/dbraw/zinc/89/49/30/352894930.db2.gz FOMAVEWENGCXAR-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(Cl)c(CC#N)cc1N 575716212 352894941 /nfs/dbraw/zinc/89/49/41/352894941.db2.gz OECQLQBWSWXTTA-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(Cl)c(N)c(CC#N)c1 575716085 352894945 /nfs/dbraw/zinc/89/49/45/352894945.db2.gz IXTURBXJCCKIJF-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(CC#N)c(Cl)cc1N 575716246 352894960 /nfs/dbraw/zinc/89/49/60/352894960.db2.gz OXFOSQJDGDJCMZ-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(N)cc(Cl)c1CC#N 575716096 352895000 /nfs/dbraw/zinc/89/50/00/352895000.db2.gz JLLNBKGACHOKHJ-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1cc(CC#N)c(N)cc1Cl 575716925 352895288 /nfs/dbraw/zinc/89/52/88/352895288.db2.gz YKRJQRAYNISAEO-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN CCOc1cc(C)c(CC#N)cc1N 575717082 352895314 /nfs/dbraw/zinc/89/53/14/352895314.db2.gz BGOGTSQYLIVKPS-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1c(C)ccc(N)c1CC#N 575717130 352895438 /nfs/dbraw/zinc/89/54/38/352895438.db2.gz CEMDDVMDSCYEQR-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN Cc1c(Cl)ccc(N)c1CC#N 575716782 352895447 /nfs/dbraw/zinc/89/54/47/352895447.db2.gz WKXRCBQXJIRKDJ-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN Cc1ccc(CC#N)c(Cl)c1N 575716946 352895549 /nfs/dbraw/zinc/89/55/49/352895549.db2.gz ZCHAUEDBARJMLE-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN CCc1cc(N)cc(CC#N)c1F 575717147 352895566 /nfs/dbraw/zinc/89/55/66/352895566.db2.gz CJQDZZAUSOFBHQ-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN Cc1cc(Cl)cc(CC#N)c1N 575716663 352895611 /nfs/dbraw/zinc/89/56/11/352895611.db2.gz UQAUPSIHJBFGPS-UHFFFAOYSA-N 0 0 180.638 2.297 10 30 AEEERN CCOc1ccc(C)c(N)c1CC#N 575717028 352895619 /nfs/dbraw/zinc/89/56/19/352895619.db2.gz ASSMCMVLTTYFBQ-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1ccc(F)c(N)c1CC#N 575717324 352896007 /nfs/dbraw/zinc/89/60/07/352896007.db2.gz GLNQJCNPZRLFEG-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1c(N)ccc(F)c1CC#N 575717484 352896048 /nfs/dbraw/zinc/89/60/48/352896048.db2.gz HQRHODBVXCAXCS-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1cc(CC#N)c(N)cc1C 575717531 352896103 /nfs/dbraw/zinc/89/61/03/352896103.db2.gz IDGLPWHVDJYDIA-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1cc(N)c(CC#N)c(F)c1 575717262 352896108 /nfs/dbraw/zinc/89/61/08/352896108.db2.gz DLKAQVLERCHOFJ-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1cc(C)c(CC#N)c(N)c1 575717410 352896126 /nfs/dbraw/zinc/89/61/26/352896126.db2.gz GMYRLNMVAGIICD-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1ccc(N)c(F)c1CC#N 575717516 352896139 /nfs/dbraw/zinc/89/61/39/352896139.db2.gz HZQVLSOOIAXUID-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1c(N)cc(C)cc1CC#N 575717677 352896146 /nfs/dbraw/zinc/89/61/46/352896146.db2.gz KMHSWBTUGYTISL-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1cc(N)c(C)c(CC#N)c1 575717470 352896166 /nfs/dbraw/zinc/89/61/66/352896166.db2.gz HOBWAEANRMJFOK-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1c(N)cc(F)cc1CC#N 575717513 352896196 /nfs/dbraw/zinc/89/61/96/352896196.db2.gz HZKHRQJZCZNMRC-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(N)c(F)cc1CC#N 575717427 352896205 /nfs/dbraw/zinc/89/62/05/352896205.db2.gz GURZDHLAMSRQBG-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(CC#N)c(F)cc1N 575717510 352896214 /nfs/dbraw/zinc/89/62/14/352896214.db2.gz HYPAGHUFLQMESK-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1ccc(N)c(C)c1CC#N 575717905 352896643 /nfs/dbraw/zinc/89/66/43/352896643.db2.gz LJVSAVPQCOCQRK-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1cc(C)cc(CC#N)c1N 575717829 352896682 /nfs/dbraw/zinc/89/66/82/352896682.db2.gz BGUUVQZKANGAKE-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCOc1cc(N)c(CC#N)cc1C 575717902 352896803 /nfs/dbraw/zinc/89/68/03/352896803.db2.gz LGKCDYQIRFJDSA-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1ccc(N)c(C)c1CC#N 575717733 352896900 /nfs/dbraw/zinc/89/69/00/352896900.db2.gz AVNDYXYLMMTLQZ-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCOc1c(N)ccc(C)c1CC#N 575717976 352896931 /nfs/dbraw/zinc/89/69/31/352896931.db2.gz NESGSDKGGYDNAY-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1ccc(C)c(CC#N)c1N 575718091 352897278 /nfs/dbraw/zinc/89/72/78/352897278.db2.gz PIVKGTRPCSTGOZ-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1cc(CC#N)c(C)cc1N 575718360 352897289 /nfs/dbraw/zinc/89/72/89/352897289.db2.gz KDFGGEQUTDRMDK-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(F)cc(CC#N)c1N 575718060 352897346 /nfs/dbraw/zinc/89/73/46/352897346.db2.gz OOMYOKKUUCTPAF-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1c(N)ccc(C)c1CC#N 575718330 352897355 /nfs/dbraw/zinc/89/73/55/352897355.db2.gz JEKUOHFNJUUXFN-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(F)c(CC#N)cc1N 575718345 352897359 /nfs/dbraw/zinc/89/73/59/352897359.db2.gz QTKMBKMILBXXFF-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1cc(N)cc(CC#N)c1C 575718016 352897363 /nfs/dbraw/zinc/89/73/63/352897363.db2.gz NTXCGBZZBODVPH-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1cc(CC#N)c(C)cc1N 575718047 352897418 /nfs/dbraw/zinc/89/74/18/352897418.db2.gz OKIJRZNXQKTMPB-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1ccc(F)c(CC#N)c1N 575717983 352897579 /nfs/dbraw/zinc/89/75/79/352897579.db2.gz NEXLDAOLDLXTPC-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1cc(C)cc(CC#N)c1N 575718445 352897933 /nfs/dbraw/zinc/89/79/33/352897933.db2.gz UFOCLAJTHYFMSA-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1c(F)ccc(N)c1CC#N 575718494 352897960 /nfs/dbraw/zinc/89/79/60/352897960.db2.gz VKALTADMVNYVHH-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1cc(N)cc(C)c1CC#N 575718466 352898053 /nfs/dbraw/zinc/89/80/53/352898053.db2.gz UUCQNUVBUPENGT-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1c(F)cc(N)cc1CC#N 575718459 352898082 /nfs/dbraw/zinc/89/80/82/352898082.db2.gz UOIBCYFLHZXTNE-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCOc1cc(N)c(C)cc1CC#N 575718401 352898114 /nfs/dbraw/zinc/89/81/14/352898114.db2.gz RMVIMYAKVSSVSZ-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1ccc(N)c(CC#N)c1C 575718492 352898122 /nfs/dbraw/zinc/89/81/22/352898122.db2.gz VJKFGLLWINEGMP-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1cc(F)cc(N)c1CC#N 575718471 352898145 /nfs/dbraw/zinc/89/81/45/352898145.db2.gz VACDLKWJAQECLK-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(F)c(N)c(CC#N)c1 575718447 352898151 /nfs/dbraw/zinc/89/81/51/352898151.db2.gz UGCVGCOUMJPKPG-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1ccc(N)c(CC#N)c1F 575718436 352898176 /nfs/dbraw/zinc/89/81/76/352898176.db2.gz SZSOYNPKBCHYEA-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(C)c(N)cc1CC#N 575718547 352898204 /nfs/dbraw/zinc/89/82/04/352898204.db2.gz LOIHOCXSWJCAEE-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCOc1c(C)cc(N)cc1CC#N 575718429 352898256 /nfs/dbraw/zinc/89/82/56/352898256.db2.gz SPYYUYLRAXBCPF-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1cc(C)cc(N)c1CC#N 575718676 352898592 /nfs/dbraw/zinc/89/85/92/352898592.db2.gz WRKCIEFUWWAGPH-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1cc(CC#N)c(N)cc1F 575718737 352898610 /nfs/dbraw/zinc/89/86/10/352898610.db2.gz YCQCBJJSXUHSTB-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(F)c(N)cc1CC#N 575718739 352898637 /nfs/dbraw/zinc/89/86/37/352898637.db2.gz YFHPILYBKPZWPZ-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(N)c(F)c(CC#N)c1 575718683 352898641 /nfs/dbraw/zinc/89/86/41/352898641.db2.gz WUZTVHGQAVKINH-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(N)cc(F)c1CC#N 575718761 352898645 /nfs/dbraw/zinc/89/86/45/352898645.db2.gz YQRBQSZDUOVMHO-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1cc(C)c(CC#N)c(N)c1 575718610 352898651 /nfs/dbraw/zinc/89/86/51/352898651.db2.gz MKXRSBPOOQVXOA-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(N)c(C)c(CC#N)c1 575718783 352898707 /nfs/dbraw/zinc/89/87/07/352898707.db2.gz PKFQUSKFYKVMCM-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(CC#N)c(N)cc1C 575718826 352898750 /nfs/dbraw/zinc/89/87/50/352898750.db2.gz QUDJORKJQXVQCO-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(N)c(C)cc1CC#N 575718809 352898763 /nfs/dbraw/zinc/89/87/63/352898763.db2.gz QJXZKQALSFDTKQ-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCOc1cc(C)c(N)c(CC#N)c1 575718738 352898868 /nfs/dbraw/zinc/89/88/68/352898868.db2.gz YEIGHJFMZWCGSE-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCOc1cc(C)c(N)cc1CC#N 575718835 352898875 /nfs/dbraw/zinc/89/88/75/352898875.db2.gz ZXRFFJIEBBARDM-UHFFFAOYSA-N 0 0 190.246 2.042 10 30 AEEERN CCc1c(N)cc(C)cc1CC#N 575718785 352898915 /nfs/dbraw/zinc/89/89/15/352898915.db2.gz PKMOYCKDWGZZHK-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(N)c(CC#N)cc1F 575718723 352898920 /nfs/dbraw/zinc/89/89/20/352898920.db2.gz XUKUYAMIXPNILZ-UHFFFAOYSA-N 0 0 178.210 2.036 10 30 AEEERN CCc1c(C)cc(N)cc1CC#N 575719061 352899363 /nfs/dbraw/zinc/89/93/63/352899363.db2.gz VIIWOBSMFRAJKX-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1ccc(C)c(CC#N)c1N 575719024 352899289 /nfs/dbraw/zinc/89/92/89/352899289.db2.gz UOAACPCRAQIOQA-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1ccc(C)c(N)c1CC#N 575718973 352899469 /nfs/dbraw/zinc/89/94/69/352899469.db2.gz SDQRUAGKIZXQGO-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(N)cc(C)c1CC#N 575719044 352899499 /nfs/dbraw/zinc/89/94/99/352899499.db2.gz UZUVCIONYZGJCS-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(N)cc(CC#N)c1C 575718950 352899524 /nfs/dbraw/zinc/89/95/24/352899524.db2.gz RIAZMUGKWKGMCA-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(C)c(CC#N)cc1N 575719230 352900073 /nfs/dbraw/zinc/90/00/73/352900073.db2.gz XXTDQWPULXOJEG-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(C)c(N)c(CC#N)c1 575719221 352900092 /nfs/dbraw/zinc/90/00/92/352900092.db2.gz XUCDKIDDPDQIIY-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(C)cc(N)c1CC#N 575719232 352900121 /nfs/dbraw/zinc/90/01/21/352900121.db2.gz YBQFHKMNJOHPSF-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN CCc1cc(N)c(CC#N)cc1C 575719294 352900152 /nfs/dbraw/zinc/90/01/52/352900152.db2.gz ZZQVGNQPANYBBY-UHFFFAOYSA-N 0 0 174.247 2.206 10 30 AEEERN Cc1cc(Cl)c(C#N)cc1N 575720017 352900418 /nfs/dbraw/zinc/90/04/18/352900418.db2.gz CGAZEGLLXWBGAU-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1ccc(N)c(C#N)c1Cl 575720300 352901118 /nfs/dbraw/zinc/90/11/18/352901118.db2.gz KLVVKGUDROKVBW-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN Cc1c(C#N)ccc(Cl)c1N 575720415 352901543 /nfs/dbraw/zinc/90/15/43/352901543.db2.gz MWBJDEOKWCRGBY-UHFFFAOYSA-N 0 0 166.611 2.102 10 30 AEEERN CCC[C@H](C#Cc1ccccn1)OC 584622787 352907583 /nfs/dbraw/zinc/90/75/83/352907583.db2.gz HKNGEALUFJUZDO-GFCCVEGCSA-N 0 0 189.258 2.248 10 30 AEEERN CC1(C)N[C@H](CC#N)c2ccccc21 584621547 352907181 /nfs/dbraw/zinc/90/71/81/352907181.db2.gz XMPJPCYUVYHZIZ-LLVKDONJSA-N 0 0 186.258 2.480 10 30 AEEERN Fc1ccc(C#C[C@@H]2CCCO2)cc1 584621629 352907168 /nfs/dbraw/zinc/90/71/68/352907168.db2.gz FJXFWZIUBQRUNB-LBPRGKRZSA-N 0 0 190.217 2.356 10 30 AEEERN Fc1ccccc1C#C[C@H]1CCCO1 584621542 352907173 /nfs/dbraw/zinc/90/71/73/352907173.db2.gz AJYCRLDTGXMRLY-LLVKDONJSA-N 0 0 190.217 2.356 10 30 AEEERN Fc1ccc(C#C[C@H]2CCCO2)cc1 584621627 352907189 /nfs/dbraw/zinc/90/71/89/352907189.db2.gz FJXFWZIUBQRUNB-GFCCVEGCSA-N 0 0 190.217 2.356 10 30 AEEERN CC1(C)N[C@@H](CC#N)c2ccccc21 584621548 352907192 /nfs/dbraw/zinc/90/71/92/352907192.db2.gz XMPJPCYUVYHZIZ-NSHDSACASA-N 0 0 186.258 2.480 10 30 AEEERN Fc1ccccc1C#C[C@@H]1CCCO1 584621543 352907228 /nfs/dbraw/zinc/90/72/28/352907228.db2.gz AJYCRLDTGXMRLY-NSHDSACASA-N 0 0 190.217 2.356 10 30 AEEERN CCC[C@@H](C#Cc1ccccn1)OC 584622788 352907622 /nfs/dbraw/zinc/90/76/22/352907622.db2.gz HKNGEALUFJUZDO-LBPRGKRZSA-N 0 0 189.258 2.248 10 30 AEEERN CC1(C)C(=O)CCC2=C1C(=O)CC2 584639957 352909016 /nfs/dbraw/zinc/90/90/16/352909016.db2.gz PXQDRZMXXIGZKO-UHFFFAOYSA-N 0 0 178.231 2.035 10 30 AEEERN C#CCCCCC(=O)[C@H](C)S 584640095 352909028 /nfs/dbraw/zinc/90/90/28/352909028.db2.gz OYHUCNWPLADXHC-QMMMGPOBSA-N 0 0 170.277 2.067 10 30 AEEERN C#CC(C)(C)C1CCC1 585143228 352910133 /nfs/dbraw/zinc/91/01/33/352910133.db2.gz LBPISCWLPKXTBD-UHFFFAOYSA-N 0 0 122.211 2.446 10 30 AEEERN Cc1ccc(C#CC(C)(C)C)nn1 585143821 352910459 /nfs/dbraw/zinc/91/04/59/352910459.db2.gz OPLNOJYKOKMMAE-UHFFFAOYSA-N 0 0 174.247 2.183 10 30 AEEERN COCC#Cc1cccc2ncccc12 585145315 352911452 /nfs/dbraw/zinc/91/14/52/352911452.db2.gz MNVMMEJOGJZYKH-UHFFFAOYSA-N 0 0 197.237 2.233 10 30 AEEERN CCN(CC#N)C[C@@]1(C)CCCS1 590593910 352914737 /nfs/dbraw/zinc/91/47/37/352914737.db2.gz YKXAXNKHQNZNOB-SNVBAGLBSA-N 0 0 198.335 2.118 10 30 AEEERN CCN(CC#N)C[C@]1(C)CCCS1 590593903 352914756 /nfs/dbraw/zinc/91/47/56/352914756.db2.gz YKXAXNKHQNZNOB-JTQLQIEISA-N 0 0 198.335 2.118 10 30 AEEERN CCC[C@@H](C)CN1CC(C)(C#N)C1 590967891 352915283 /nfs/dbraw/zinc/91/52/83/352915283.db2.gz QCLOWMPSYDVZIW-SNVBAGLBSA-N 0 0 180.295 2.268 10 30 AEEERN CCC[C@H](C)CN1CC(C)(C#N)C1 590967890 352915402 /nfs/dbraw/zinc/91/54/02/352915402.db2.gz QCLOWMPSYDVZIW-JTQLQIEISA-N 0 0 180.295 2.268 10 30 AEEERN C=C(CC)CNC(=O)CCCCC#N 594043658 352919426 /nfs/dbraw/zinc/91/94/26/352919426.db2.gz KFKGPNPNSXAOKC-UHFFFAOYSA-N 0 0 194.278 2.153 10 30 AEEERN Cc1nc(C#N)n(CCC(C)C)c1C 603351494 352925928 /nfs/dbraw/zinc/92/59/28/352925928.db2.gz ITWPAVUWTNMNDH-UHFFFAOYSA-N 0 0 191.278 2.418 10 30 AEEERN C=C(CC)Cn1c(C#N)nc(C)c1C 603349708 352925938 /nfs/dbraw/zinc/92/59/38/352925938.db2.gz WYFOAJUGLXXZAN-UHFFFAOYSA-N 0 0 189.262 2.338 10 30 AEEERN Cc1nc(C#N)n(CC(C)C)c1C 603350040 352925957 /nfs/dbraw/zinc/92/59/57/352925957.db2.gz QFLSQBXGDUYQTF-UHFFFAOYSA-N 0 0 177.251 2.028 10 30 AEEERN CC#CCN(C)Cc1ccc(C)o1 607725285 352926323 /nfs/dbraw/zinc/92/63/23/352926323.db2.gz MVMHBRLZRQBOCJ-UHFFFAOYSA-N 0 0 177.247 2.043 10 30 AEEERN CC#CCN(C)Cc1ccsc1 607725631 352926388 /nfs/dbraw/zinc/92/63/88/352926388.db2.gz AZBZFEYSIIBGLM-UHFFFAOYSA-N 0 0 179.288 2.203 10 30 AEEERN COCCCCCn1ccc(C#N)c1 611115016 352927739 /nfs/dbraw/zinc/92/77/39/352927739.db2.gz GPPDMRIALARQET-UHFFFAOYSA-N 0 0 192.262 2.176 10 30 AEEERN CN(CC#N)CCCCOC(C)(C)C 616107509 352930719 /nfs/dbraw/zinc/93/07/19/352930719.db2.gz DBNUUARSSNJFGZ-UHFFFAOYSA-N 0 0 198.310 2.037 10 30 AEEERN C=CCNC(=O)N(CC(C)C)C1CC1 643216920 352939945 /nfs/dbraw/zinc/93/99/45/352939945.db2.gz KKKIDWBKMPSBJC-UHFFFAOYSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCNC(=O)N(CCCC)C1CC1 643216957 352939952 /nfs/dbraw/zinc/93/99/52/352939952.db2.gz YNRZEZNSCOWCCD-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCNC(=O)N(CCC)CC1CC1 643217222 352940162 /nfs/dbraw/zinc/94/01/62/352940162.db2.gz YIBJNELIYGWOOB-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN N#Cc1ccc(CSO)cc1 643847260 353008148 /nfs/dbraw/zinc/00/81/48/353008148.db2.gz RDSRFFXEXXAPEN-UHFFFAOYSA-N 0 0 165.217 2.264 10 30 AEEERN CC#CCCCC(=O)NCCCCF 643279582 352943204 /nfs/dbraw/zinc/94/32/04/352943204.db2.gz IXAPKTUGTKRSPF-UHFFFAOYSA-N 0 0 199.269 2.046 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@@H]1CC12CC2 643299920 352944510 /nfs/dbraw/zinc/94/45/10/352944510.db2.gz PHYPXOSNEFDGNA-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@H]1CC12CC2 643299921 352944538 /nfs/dbraw/zinc/94/45/38/352944538.db2.gz PHYPXOSNEFDGNA-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C=CCCCN(C)C(=O)[C@@H]1CC12CC2 643306803 352945211 /nfs/dbraw/zinc/94/52/11/352945211.db2.gz ZAKWFNWQQHAIAZ-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 643313952 352945734 /nfs/dbraw/zinc/94/57/34/352945734.db2.gz PKUHKAXGGFVSGL-AXFHLTTASA-N 0 0 193.290 2.067 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 643309187 352945739 /nfs/dbraw/zinc/94/57/39/352945739.db2.gz KMSJANRJHMFTQM-LNFKQOIKSA-N 0 0 193.290 2.113 10 30 AEEERN C=CCCCCNC(=O)[C@H]1CC12CC2 643313334 352945742 /nfs/dbraw/zinc/94/57/42/352945742.db2.gz BBJQZTCBHTVBLP-SNVBAGLBSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 643313953 352945809 /nfs/dbraw/zinc/94/58/09/352945809.db2.gz PKUHKAXGGFVSGL-GMTAPVOTSA-N 0 0 193.290 2.067 10 30 AEEERN C=CCCCCNC(=O)[C@@H]1CC12CC2 643313333 352945840 /nfs/dbraw/zinc/94/58/40/352945840.db2.gz BBJQZTCBHTVBLP-JTQLQIEISA-N 0 0 193.290 2.259 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 643309188 352945852 /nfs/dbraw/zinc/94/58/52/352945852.db2.gz KMSJANRJHMFTQM-MMWGEVLESA-N 0 0 193.290 2.113 10 30 AEEERN C=CCCCN(C)C(=O)[C@H]1CC12CC2 643306804 352945879 /nfs/dbraw/zinc/94/58/79/352945879.db2.gz ZAKWFNWQQHAIAZ-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C=CC[C@H](CC)NC(=O)[C@H]1CC12CC2 643315647 352946274 /nfs/dbraw/zinc/94/62/74/352946274.db2.gz IHYJDVIZLRXCKX-VHSXEESVSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CC12CC2 643315648 352946334 /nfs/dbraw/zinc/94/63/34/352946334.db2.gz IHYJDVIZLRXCKX-ZJUUUORDSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC[C@H](CC)NC(=O)[C@@H]1CC12CC2 643315646 352946402 /nfs/dbraw/zinc/94/64/02/352946402.db2.gz IHYJDVIZLRXCKX-UWVGGRQHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC[C@@H](CC)NC(=O)[C@H]1CC12CC2 643315645 352946461 /nfs/dbraw/zinc/94/64/61/352946461.db2.gz IHYJDVIZLRXCKX-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=CC(C)(C)CNC(=O)[C@H]1CC12CC2 643317385 352946795 /nfs/dbraw/zinc/94/67/95/352946795.db2.gz JZIHHNMCUBWONP-SECBINFHSA-N 0 0 193.290 2.115 10 30 AEEERN C=CC(C)(C)CNC(=O)[C@@H]1CC12CC2 643317386 352946981 /nfs/dbraw/zinc/94/69/81/352946981.db2.gz JZIHHNMCUBWONP-VIFPVBQESA-N 0 0 193.290 2.115 10 30 AEEERN N#Cc1cccc(CSO)c1 643848223 353008130 /nfs/dbraw/zinc/00/81/30/353008130.db2.gz QMDIVUCOAKFDTK-UHFFFAOYSA-N 0 0 165.217 2.264 10 30 AEEERN C=CCN(C)CC(F)(F)CC 17667991 371623920 /nfs/dbraw/zinc/62/39/20/371623920.db2.gz XXNQCQZBFKIMAA-UHFFFAOYSA-N 0 0 163.211 2.150 10 30 AEEERN CCOc1ccc(CCC=O)cc1 19682834 371629001 /nfs/dbraw/zinc/62/90/01/371629001.db2.gz KMYCNZYVRBTZME-UHFFFAOYSA-N 0 0 178.231 2.217 10 30 AEEERN CCOc1ccc([C@@]2(C)CO2)cc1 36156339 371632997 /nfs/dbraw/zinc/63/29/97/371632997.db2.gz PRGCMNZMYZVPND-LLVKDONJSA-N 0 0 178.231 2.331 10 30 AEEERN CCC(=O)OCC#Cc1cccs1 39075064 371634662 /nfs/dbraw/zinc/63/46/62/371634662.db2.gz OLZMOAYSLTZVPF-UHFFFAOYSA-N 0 0 194.255 2.053 10 30 AEEERN CC#CCNc1ccc(F)cc1F 51663005 371635329 /nfs/dbraw/zinc/63/53/29/371635329.db2.gz BWHSCPAGLGKNRZ-UHFFFAOYSA-N 0 0 181.185 2.400 10 30 AEEERN CCOc1cc(C)ccc1C#N 51598313 371635594 /nfs/dbraw/zinc/63/55/94/371635594.db2.gz PEMXMTPAFLYNBI-UHFFFAOYSA-N 0 0 161.204 2.265 10 30 AEEERN CC#CCNc1cccc(OC)c1 51663044 371635741 /nfs/dbraw/zinc/63/57/41/371635741.db2.gz MKCSSRTUQNZHLO-UHFFFAOYSA-N 0 0 175.231 2.130 10 30 AEEERN CC#CCNc1ccccc1F 51662990 371636035 /nfs/dbraw/zinc/63/60/35/371636035.db2.gz DYXVHSMKMFQGTJ-UHFFFAOYSA-N 0 0 163.195 2.261 10 30 AEEERN C[C@H](CC#N)C(=O)C1CCCC1 51690437 371636737 /nfs/dbraw/zinc/63/67/37/371636737.db2.gz WZIFSZGMAIAYJM-MRVPVSSYSA-N 0 0 165.236 2.295 10 30 AEEERN N#CCCC(=O)C1CCCC1 51690429 371637623 /nfs/dbraw/zinc/63/76/23/371637623.db2.gz RVUKYJGZHHXXOP-UHFFFAOYSA-N 0 0 151.209 2.049 10 30 AEEERN [N-]=[N+]=Nc1cccnc1F 59864661 371639242 /nfs/dbraw/zinc/63/92/42/371639242.db2.gz VHJMGTKGDXFYOU-UHFFFAOYSA-N 0 0 138.105 2.163 10 30 AEEERN N#C[C@H]1CCCCN1Cc1ccco1 70662751 371643335 /nfs/dbraw/zinc/64/33/35/371643335.db2.gz PUTIWAANEIWJHN-SNVBAGLBSA-N 0 0 190.246 2.158 10 30 AEEERN CC(C)CN1CCCC[C@@H]1C#N 70662707 371643383 /nfs/dbraw/zinc/64/33/83/371643383.db2.gz JYXSNKVDTHEHQU-SNVBAGLBSA-N 0 0 166.268 2.020 10 30 AEEERN C#CCNc1cnc2ccccc2c1 68990049 371642016 /nfs/dbraw/zinc/64/20/16/371642016.db2.gz GVUWXZUEVZCTER-UHFFFAOYSA-N 0 0 182.226 2.280 10 30 AEEERN N#C[C@H]1CCCCN1C1CCCC1 70662699 371642948 /nfs/dbraw/zinc/64/29/48/371642948.db2.gz ZXGHGYOIWVMNQW-LLVKDONJSA-N 0 0 178.279 2.307 10 30 AEEERN CC(C)=CCN1CCCC[C@H]1C#N 70662652 371643267 /nfs/dbraw/zinc/64/32/67/371643267.db2.gz MPBFTGGNQOKJGL-NSHDSACASA-N 0 0 178.279 2.331 10 30 AEEERN N#C[C@@H]1CCCCN1Cc1ccco1 70662752 371643348 /nfs/dbraw/zinc/64/33/48/371643348.db2.gz PUTIWAANEIWJHN-JTQLQIEISA-N 0 0 190.246 2.158 10 30 AEEERN N#C[C@@H]1CCCCN1C1CCCC1 70662700 371643362 /nfs/dbraw/zinc/64/33/62/371643362.db2.gz ZXGHGYOIWVMNQW-NSHDSACASA-N 0 0 178.279 2.307 10 30 AEEERN C=C(Cl)CN1CCCC[C@H]1C#N 70662672 371643458 /nfs/dbraw/zinc/64/34/58/371643458.db2.gz MVRGENMBWDNNOL-VIFPVBQESA-N 0 0 184.670 2.117 10 30 AEEERN CC[C@@H](C)N1CCCC[C@@H]1C#N 70662713 371643546 /nfs/dbraw/zinc/64/35/46/371643546.db2.gz UNGHXLNPMUCVHH-NXEZZACHSA-N 0 0 166.268 2.163 10 30 AEEERN CC[C@H](C)N1CCCC[C@@H]1C#N 70662714 371643618 /nfs/dbraw/zinc/64/36/18/371643618.db2.gz UNGHXLNPMUCVHH-VHSXEESVSA-N 0 0 166.268 2.163 10 30 AEEERN CC(C)CN1CCCC[C@H]1C#N 70662708 371643691 /nfs/dbraw/zinc/64/36/91/371643691.db2.gz JYXSNKVDTHEHQU-JTQLQIEISA-N 0 0 166.268 2.020 10 30 AEEERN C=C(Cl)CN1CCCC[C@@H]1C#N 70662671 371643722 /nfs/dbraw/zinc/64/37/22/371643722.db2.gz MVRGENMBWDNNOL-SECBINFHSA-N 0 0 184.670 2.117 10 30 AEEERN C=CCn1ccc2c(CO)cccc21 70735435 371644707 /nfs/dbraw/zinc/64/47/07/371644707.db2.gz XTKGZPDXJCCNPW-UHFFFAOYSA-N 0 0 187.242 2.320 10 30 AEEERN C=CCCN(CC#N)C1CCCC1 70715021 371645009 /nfs/dbraw/zinc/64/50/09/371645009.db2.gz GQTGSVUDBIHONT-UHFFFAOYSA-N 0 0 178.279 2.331 10 30 AEEERN CC#CCn1ccc2c(C=O)cccc21 70735341 371645074 /nfs/dbraw/zinc/64/50/74/371645074.db2.gz IESQWUDFDNSJQD-UHFFFAOYSA-N 0 0 197.237 2.477 10 30 AEEERN C#CCn1ccc2c(C=O)cccc21 70735291 371645429 /nfs/dbraw/zinc/64/54/29/371645429.db2.gz OIGRMBSIXVSQEZ-UHFFFAOYSA-N 0 0 183.210 2.087 10 30 AEEERN C[C@@]1(CCC#N)CCCCC1=O 75546869 371649084 /nfs/dbraw/zinc/64/90/84/371649084.db2.gz DBHUNYNZTIQTNL-JTQLQIEISA-N 0 0 165.236 2.440 10 30 AEEERN CC1CN(c2ccc(F)cc2C#N)C1 131913177 371662645 /nfs/dbraw/zinc/66/26/45/371662645.db2.gz HTQIGLBUSQUSKG-UHFFFAOYSA-N 0 0 190.221 2.153 10 30 AEEERN C[C@H]1CCN1c1ccc(F)cc1C#N 131913601 371662701 /nfs/dbraw/zinc/66/27/01/371662701.db2.gz XIKUTLOXWUKZQG-QMMMGPOBSA-N 0 0 190.221 2.296 10 30 AEEERN C[C@@H]1CCN1c1ccc(F)cc1C#N 131913413 371662745 /nfs/dbraw/zinc/66/27/45/371662745.db2.gz XIKUTLOXWUKZQG-MRVPVSSYSA-N 0 0 190.221 2.296 10 30 AEEERN C[C@H](C#N)CN(C)[C@H]1C=CCCC1 161125381 371670556 /nfs/dbraw/zinc/67/05/56/371670556.db2.gz GPELRIHHBBRPDT-MNOVXSKESA-N 0 0 178.279 2.187 10 30 AEEERN C[C@@H](C#N)CN(C)[C@H]1C=CCCC1 161125511 371670764 /nfs/dbraw/zinc/67/07/64/371670764.db2.gz GPELRIHHBBRPDT-QWRGUYRKSA-N 0 0 178.279 2.187 10 30 AEEERN CO/N=C(/C)c1ccc(F)cc1 165388669 371678325 /nfs/dbraw/zinc/67/83/25/371678325.db2.gz SYOZHOFHKMIDHY-XFFZJAGNSA-N 0 0 167.183 2.196 10 30 AEEERN C=C(C)C(=O)Nc1cc(Cl)ccn1 165368031 371678402 /nfs/dbraw/zinc/67/84/02/371678402.db2.gz XQMWMNRUULWBFF-UHFFFAOYSA-N 0 0 196.637 2.250 10 30 AEEERN C=C(C[C@H](C)O)[Si](C)(C)C 195798833 371690956 /nfs/dbraw/zinc/69/09/56/371690956.db2.gz VQQZSDQMWOWCOX-ZETCQYMHSA-N 0 0 158.317 2.191 10 30 AEEERN CC[Si](C#CC#CCO)(CC)CC 195908960 371691455 /nfs/dbraw/zinc/69/14/55/371691455.db2.gz OYPQSUDHGVWATQ-UHFFFAOYSA-N 0 0 194.350 2.033 10 30 AEEERN C[Si](C)(C)C#CCCCC=O 195895343 371691481 /nfs/dbraw/zinc/69/14/81/371691481.db2.gz FAIYYPQDKWHVLL-UHFFFAOYSA-N 0 0 168.312 2.236 10 30 AEEERN C=C(C)[C@H]1CCC(C)=CC(=O)O1 196223038 371693318 /nfs/dbraw/zinc/69/33/18/371693318.db2.gz LUQWYCXTLQIGNF-SECBINFHSA-N 0 0 166.220 2.214 10 30 AEEERN C=C(C)[C@@H]1CCC(C)=CC(=O)O1 196223030 371693558 /nfs/dbraw/zinc/69/35/58/371693558.db2.gz LUQWYCXTLQIGNF-VIFPVBQESA-N 0 0 166.220 2.214 10 30 AEEERN Cc1cc(C)c(C(=O)N(C)O)c(C)c1 196222871 371693566 /nfs/dbraw/zinc/69/35/66/371693566.db2.gz YOJCVIGAYPOSJX-UHFFFAOYSA-N 0 0 193.246 2.073 10 30 AEEERN C=CCOc1ccc([N+](=O)[O-])c(C)c1 196222360 371693603 /nfs/dbraw/zinc/69/36/03/371693603.db2.gz DGLFFFUDCZTPCT-UHFFFAOYSA-N 0 0 193.202 2.468 10 30 AEEERN O=C1C=C[C@@]2(CCCCC2=O)CC1 196372540 371694558 /nfs/dbraw/zinc/69/45/58/371694558.db2.gz OJEVPKUHIYKFSX-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN C=C(C)[C@@]1(C)C[C@@H]1C(C)=O 199324179 371699336 /nfs/dbraw/zinc/69/93/36/371699336.db2.gz BCMSQFDOWTYHOB-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN COC/C=C(\C)C(C)(C)CC=O 205077958 371705657 /nfs/dbraw/zinc/70/56/57/371705657.db2.gz OYLKSXGPUIIQQO-WEVVVXLNSA-N 0 0 170.252 2.194 10 30 AEEERN C=CCOc1cc([N+](=O)[O-])ccc1C 205053815 371705790 /nfs/dbraw/zinc/70/57/90/371705790.db2.gz CSVSKPNSMNFOQN-UHFFFAOYSA-N 0 0 193.202 2.468 10 30 AEEERN C=C(OC(=O)C(C)(C)C)C1CC1 205052774 371705795 /nfs/dbraw/zinc/70/57/95/371705795.db2.gz YOMYJMJEHGPOAB-UHFFFAOYSA-N 0 0 168.236 2.499 10 30 AEEERN C#C[C@@]12O[C@]1(C)CCCC2(C)C 205067323 371705809 /nfs/dbraw/zinc/70/58/09/371705809.db2.gz VOOHSAWHTKOBQF-MNOVXSKESA-N 0 0 164.248 2.357 10 30 AEEERN N#Cc1cc(C(F)(F)F)cnc1F 231404394 371722995 /nfs/dbraw/zinc/72/29/95/371722995.db2.gz HEIUVFQQRBGAQI-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN CC[C@@H](C#N)Sc1nc(C)co1 234050025 371724935 /nfs/dbraw/zinc/72/49/35/371724935.db2.gz FFVMMLZRBMUKPL-ZETCQYMHSA-N 0 0 182.248 2.377 10 30 AEEERN C#C[C@@](C)(CCCCC)OC(N)=O 238224333 371725555 /nfs/dbraw/zinc/72/55/55/371725555.db2.gz ADALJXWYUWQWAN-JTQLQIEISA-N 0 0 183.251 2.054 10 30 AEEERN C=C[C@H](O)C/C=C/CCC 238214981 371725835 /nfs/dbraw/zinc/72/58/35/371725835.db2.gz QJLGCFFOYAOIGC-UCUJLANTSA-N 0 0 140.226 2.280 10 30 AEEERN CCCCCC[C@H](O)C#COCC 238223756 371725870 /nfs/dbraw/zinc/72/58/70/371725870.db2.gz KACHURMPEMQOQJ-NSHDSACASA-N 0 0 184.279 2.315 10 30 AEEERN C=C[C@@H](O)C/C=C/CCC 238215165 371726246 /nfs/dbraw/zinc/72/62/46/371726246.db2.gz QJLGCFFOYAOIGC-XCODYQFDSA-N 0 0 140.226 2.280 10 30 AEEERN C=C[C@H](O)[C@@H]1C=C(C)CCC1 238249200 371727169 /nfs/dbraw/zinc/72/71/69/371727169.db2.gz TZBSJLDECKUEIR-UWVGGRQHSA-N 0 0 152.237 2.280 10 30 AEEERN C=C[C@@H](O)[C@@H]1C=C(C)CCC1 238249244 371727138 /nfs/dbraw/zinc/72/71/38/371727138.db2.gz TZBSJLDECKUEIR-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@H](C#C[C@@H](C)O)c1ccccc1 238412887 371728245 /nfs/dbraw/zinc/72/82/45/371728245.db2.gz XTTOOPPSXOGTDZ-GHMZBOCLSA-N 0 0 174.243 2.174 10 30 AEEERN C[C@@H](C(=O)CC#N)C(C)(C)C 238412221 371728336 /nfs/dbraw/zinc/72/83/36/371728336.db2.gz DHMPFYDEJOKYET-ZETCQYMHSA-N 0 0 153.225 2.151 10 30 AEEERN C[C@@H](O)C#C[C@H](C)c1ccccc1 238413271 371728417 /nfs/dbraw/zinc/72/84/17/371728417.db2.gz XTTOOPPSXOGTDZ-WDEREUQCSA-N 0 0 174.243 2.174 10 30 AEEERN Cc1cc(CC#N)c(Cl)cn1 238469605 371729214 /nfs/dbraw/zinc/72/92/14/371729214.db2.gz JYMDUCOIXINBES-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN Cc1cc(CC#N)cc(Cl)n1 238470098 371729267 /nfs/dbraw/zinc/72/92/67/371729267.db2.gz RGGAFYJUMUZXNO-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN C[C@@H](C=O)Oc1ccc2c(c1)CCC2 238469394 371729271 /nfs/dbraw/zinc/72/92/71/371729271.db2.gz FHZRCQUWLBZMJA-VIFPVBQESA-N 0 0 190.242 2.142 10 30 AEEERN C#Cc1ccc([C@@H](O)CC=C)cc1 238660522 371730728 /nfs/dbraw/zinc/73/07/28/371730728.db2.gz JZIHRNVGCJXBAE-LBPRGKRZSA-N 0 0 172.227 2.277 10 30 AEEERN C=CCNC(=O)N(C)C1CCCCC1 244339281 371732686 /nfs/dbraw/zinc/73/26/86/371732686.db2.gz XSOPXJLEOZDGTL-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN Cc1cc(C)c2c(c1)C(=NN)CCC2 254841824 371737512 /nfs/dbraw/zinc/73/75/12/371737512.db2.gz VYOJDZKSZSUBGO-UHFFFAOYSA-N 0 0 188.274 2.303 10 30 AEEERN COC=Nc1ccc(C)cc1 254872155 371737608 /nfs/dbraw/zinc/73/76/08/371737608.db2.gz JVFZTLGIXAFEDP-UHFFFAOYSA-N 0 0 149.193 2.301 10 30 AEEERN CC(C)(C)c1cccc(C=NO)c1O 254871041 371737733 /nfs/dbraw/zinc/73/77/33/371737733.db2.gz NJEQBBNVFXSQSG-UHFFFAOYSA-N 0 0 193.246 2.498 10 30 AEEERN COC=Nc1ccc(F)cc1 254877292 371737756 /nfs/dbraw/zinc/73/77/56/371737756.db2.gz QBPRSVYEYXRRSH-UHFFFAOYSA-N 0 0 153.156 2.132 10 30 AEEERN C[C@H]([C@H]1CO1)C(C)(C)C 306240169 371746823 /nfs/dbraw/zinc/74/68/23/371746823.db2.gz HIQPGFXYZWMFHA-RNFRBKRXSA-N 0 0 128.215 2.067 10 30 AEEERN C[C@@H]([C@H]1CO1)C(C)(C)C 306240166 371746850 /nfs/dbraw/zinc/74/68/50/371746850.db2.gz HIQPGFXYZWMFHA-NKWVEPMBSA-N 0 0 128.215 2.067 10 30 AEEERN C#CCC(=O)c1cnc2ccccc2c1 306240167 371746917 /nfs/dbraw/zinc/74/69/17/371746917.db2.gz KDFFDAVMGFIBHW-UHFFFAOYSA-N 0 0 195.221 2.441 10 30 AEEERN C[C@H]([C@@H]1CO1)C(C)(C)C 306240171 371746940 /nfs/dbraw/zinc/74/69/40/371746940.db2.gz HIQPGFXYZWMFHA-RQJHMYQMSA-N 0 0 128.215 2.067 10 30 AEEERN C[C@@H]([C@@H]1CO1)C(C)(C)C 306240164 371746964 /nfs/dbraw/zinc/74/69/64/371746964.db2.gz HIQPGFXYZWMFHA-BQBZGAKWSA-N 0 0 128.215 2.067 10 30 AEEERN N#CC1(CSC2CCOCC2)CC1 306266133 371747613 /nfs/dbraw/zinc/74/76/13/371747613.db2.gz PIBYVQZZUXYMHQ-UHFFFAOYSA-N 0 0 197.303 2.202 10 30 AEEERN CC#C[C@](C)(O)c1cccc(F)c1 306316452 371750997 /nfs/dbraw/zinc/75/09/97/371750997.db2.gz AXRPXCBHJQCRKL-NSHDSACASA-N 0 0 178.206 2.057 10 30 AEEERN CC#C[C@@](C)(O)c1cccc(F)c1 306316451 371751107 /nfs/dbraw/zinc/75/11/07/371751107.db2.gz AXRPXCBHJQCRKL-LLVKDONJSA-N 0 0 178.206 2.057 10 30 AEEERN C[C@H]1CC[C@@H](N(CC#N)C2CC2)C1 306428127 371753145 /nfs/dbraw/zinc/75/31/45/371753145.db2.gz MBBUYZACAKHSCW-GXSJLCMTSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@@H]1CC[C@@H](N(CC#N)C2CC2)C1 306428129 371753438 /nfs/dbraw/zinc/75/34/38/371753438.db2.gz MBBUYZACAKHSCW-MWLCHTKSSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@H]1CC[C@H](N(CC#N)C2CC2)C1 306428130 371753492 /nfs/dbraw/zinc/75/34/92/371753492.db2.gz MBBUYZACAKHSCW-ONGXEEELSA-N 0 0 178.279 2.163 10 30 AEEERN C[C@@H]1CC[C@H](N(CC#N)C2CC2)C1 306428128 371753504 /nfs/dbraw/zinc/75/35/04/371753504.db2.gz MBBUYZACAKHSCW-KOLCDFICSA-N 0 0 178.279 2.163 10 30 AEEERN CC(C)(C#N)N1CC[C@@H](C2CC2)C1 307141752 371774266 /nfs/dbraw/zinc/77/42/66/371774266.db2.gz DNYCMWZKLJARDI-SNVBAGLBSA-N 0 0 178.279 2.020 10 30 AEEERN CC(C)(C#N)N1CC[C@H](C2CC2)C1 307141751 371774335 /nfs/dbraw/zinc/77/43/35/371774335.db2.gz DNYCMWZKLJARDI-JTQLQIEISA-N 0 0 178.279 2.020 10 30 AEEERN CC#C[C@](O)(CC)c1cccc(F)c1 307205490 371776249 /nfs/dbraw/zinc/77/62/49/371776249.db2.gz JPSPDGWXBBGPFL-GFCCVEGCSA-N 0 0 192.233 2.447 10 30 AEEERN CC#C[C@@](O)(CC)c1cccc(F)c1 307205491 371776466 /nfs/dbraw/zinc/77/64/66/371776466.db2.gz JPSPDGWXBBGPFL-LBPRGKRZSA-N 0 0 192.233 2.447 10 30 AEEERN CC#CCCn1ccnc1C1CC1 527531313 371817498 /nfs/dbraw/zinc/81/74/98/371817498.db2.gz DIQRRNJKSQBJPG-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C/C=C/C(=O)C(F)(F)C(F)F 575463861 371821683 /nfs/dbraw/zinc/82/16/83/371821683.db2.gz FEZAYHVRMFKONE-NSCUHMNNSA-N 0 0 170.105 2.032 10 30 AEEERN CC(C)C(C)(C)NC1=CC(=O)CC1 575488957 371824762 /nfs/dbraw/zinc/82/47/62/371824762.db2.gz ZRUBCMNRMQLQOR-UHFFFAOYSA-N 0 0 181.279 2.257 10 30 AEEERN O=CC1(CC2CC=CC2)CC1 575504991 371826875 /nfs/dbraw/zinc/82/68/75/371826875.db2.gz PSCYNGZPMUWLEK-UHFFFAOYSA-N 0 0 150.221 2.322 10 30 AEEERN CSc1cc(CC#N)c(O)cc1F 575703517 371834716 /nfs/dbraw/zinc/83/47/16/371834716.db2.gz NIOWKWWMPKNGBQ-UHFFFAOYSA-N 0 0 197.234 2.319 10 30 AEEERN CCC(CC)C(=O)C1(C#N)CC1 584602932 371835496 /nfs/dbraw/zinc/83/54/96/371835496.db2.gz IGKHYVIVWBDASL-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN C=CCC/C=C(/C)C(=O)OCC 584602919 371835506 /nfs/dbraw/zinc/83/55/06/371835506.db2.gz FNVQYQFBDYDGNP-HJWRWDBZSA-N 0 0 168.236 2.462 10 30 AEEERN C#C[C@](CCC)(OC)C1(C#N)CC1 584602922 371835562 /nfs/dbraw/zinc/83/55/62/371835562.db2.gz HMWPBXFAGJHJIV-LLVKDONJSA-N 0 0 177.247 2.109 10 30 AEEERN C#C[C@@](CCC)(OC)C1(C#N)CC1 584602923 371835585 /nfs/dbraw/zinc/83/55/85/371835585.db2.gz HMWPBXFAGJHJIV-NSHDSACASA-N 0 0 177.247 2.109 10 30 AEEERN Cc1cccc(C#C/C=C/[N+](=O)[O-])c1 584609583 371836357 /nfs/dbraw/zinc/83/63/57/371836357.db2.gz QKUIPKALNKTOPT-FPYGCLRLSA-N 0 0 187.198 2.137 10 30 AEEERN C=C/C=C/C[C@H](C)CC=O 584609504 371836427 /nfs/dbraw/zinc/83/64/27/371836427.db2.gz BLRSRYZYQCFGMX-MOVJSRMASA-N 0 0 138.210 2.344 10 30 AEEERN CO/N=C(\C)C1=CCCC1 584609584 371836440 /nfs/dbraw/zinc/83/64/40/371836440.db2.gz TVBRHVIDTHJXRF-VQHVLOKHSA-N 0 0 139.198 2.119 10 30 AEEERN C/C=C/C(=O)c1c(O)cc(C)cc1O 584609520 371836527 /nfs/dbraw/zinc/83/65/27/371836527.db2.gz RDYJRDZUSIXSIS-ONEGZZNKSA-N 0 0 192.214 2.165 10 30 AEEERN C=C/C=C/C[C@@H](C)CC=O 584609505 371836613 /nfs/dbraw/zinc/83/66/13/371836613.db2.gz BLRSRYZYQCFGMX-XNPJLODASA-N 0 0 138.210 2.344 10 30 AEEERN C=C1CC[C@@]2(C=CC=CC2=O)C1 584625918 371839458 /nfs/dbraw/zinc/83/94/58/371839458.db2.gz DFOURYHHYJNPSN-NSHDSACASA-N 0 0 160.216 2.408 10 30 AEEERN C=C(C)COC(=O)Cc1ccccc1 584625923 371839481 /nfs/dbraw/zinc/83/94/81/371839481.db2.gz FYQVWYSFIPNDHQ-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN C=C1CC[C@]2(C=CC=CC2=O)C1 584625917 371839500 /nfs/dbraw/zinc/83/95/00/371839500.db2.gz DFOURYHHYJNPSN-LLVKDONJSA-N 0 0 160.216 2.408 10 30 AEEERN C=C1CC12Oc1ccccc1O2 584625939 371839555 /nfs/dbraw/zinc/83/95/55/371839555.db2.gz NGCCQRYKPLIHFV-UHFFFAOYSA-N 0 0 160.172 2.114 10 30 AEEERN C=CCOCCc1ccsc1 584630083 371840354 /nfs/dbraw/zinc/84/03/54/371840354.db2.gz HWDHOJLSGJSZDT-UHFFFAOYSA-N 0 0 168.261 2.493 10 30 AEEERN COCOc1cc(C)c(C#N)c(C)c1 584634676 371841111 /nfs/dbraw/zinc/84/11/11/371841111.db2.gz YTAOKQHBQXJFQF-UHFFFAOYSA-N 0 0 191.230 2.158 10 30 AEEERN CCO[C@@H](C)Oc1ccc(C#N)cc1 584635106 371841143 /nfs/dbraw/zinc/84/11/43/371841143.db2.gz SAORBKYJJXBUHM-SECBINFHSA-N 0 0 191.230 2.320 10 30 AEEERN C=C[C@]1(c2ccsc2)COC(=O)O1 584634702 371841201 /nfs/dbraw/zinc/84/12/01/371841201.db2.gz VGJOMHBMZHVXPA-SECBINFHSA-N 0 0 196.227 2.296 10 30 AEEERN C=C[C@@]1(c2ccsc2)COC(=O)O1 584634703 371841244 /nfs/dbraw/zinc/84/12/44/371841244.db2.gz VGJOMHBMZHVXPA-VIFPVBQESA-N 0 0 196.227 2.296 10 30 AEEERN CCO[C@H](C)Oc1ccc(C#N)cc1 584635107 371841300 /nfs/dbraw/zinc/84/13/00/371841300.db2.gz SAORBKYJJXBUHM-VIFPVBQESA-N 0 0 191.230 2.320 10 30 AEEERN COC(C)(C)CCCCC#N 584639748 371842056 /nfs/dbraw/zinc/84/20/56/371842056.db2.gz IVVYJAMFFBPSCC-UHFFFAOYSA-N 0 0 155.241 2.495 10 30 AEEERN CO[C@@H](C)CCCCC#N 584639785 371842080 /nfs/dbraw/zinc/84/20/80/371842080.db2.gz PHLYRTUTMPFUSD-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CO[C@H](C)CCCCC#N 584639784 371842140 /nfs/dbraw/zinc/84/21/40/371842140.db2.gz PHLYRTUTMPFUSD-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN C=C(C)CC(C)(C)CN(C#N)C(C)=O 584646811 371842873 /nfs/dbraw/zinc/84/28/73/371842873.db2.gz MJHAXCGRCURHFK-UHFFFAOYSA-N 0 0 194.278 2.308 10 30 AEEERN C=CCc1ccccc1NC#N 584646822 371842881 /nfs/dbraw/zinc/84/28/81/371842881.db2.gz NZDWOLPPEDGQKK-UHFFFAOYSA-N 0 0 158.204 2.308 10 30 AEEERN C#Cc1cnn(CC2CCCC2)c1 585143145 371844706 /nfs/dbraw/zinc/84/47/06/371844706.db2.gz XMUJMCAURFYVGS-UHFFFAOYSA-N 0 0 174.247 2.055 10 30 AEEERN C#CCCCC(C)(C)C#C 585143210 371844758 /nfs/dbraw/zinc/84/47/58/371844758.db2.gz JBYJQJKEJMZFLW-UHFFFAOYSA-N 0 0 134.222 2.449 10 30 AEEERN C#Cc1cnn(CC2CCCCC2)c1 585143021 371844782 /nfs/dbraw/zinc/84/47/82/371844782.db2.gz OHWUMCZWQOCMFD-UHFFFAOYSA-N 0 0 188.274 2.445 10 30 AEEERN C#CC(C)(C)C[C@H]1CCCO1 585143133 371844790 /nfs/dbraw/zinc/84/47/90/371844790.db2.gz BBUVREKNYIFWML-SECBINFHSA-N 0 0 152.237 2.215 10 30 AEEERN CC(C)(C#N)CC(=O)OC(C)(C)C 585143117 371844905 /nfs/dbraw/zinc/84/49/05/371844905.db2.gz AKXUOOJYQGHBTA-UHFFFAOYSA-N 0 0 183.251 2.268 10 30 AEEERN Nc1cccc(C#CC2CC2)c1 585143942 371846311 /nfs/dbraw/zinc/84/63/11/371846311.db2.gz VBKUXSZVSKAOOC-UHFFFAOYSA-N 0 0 157.216 2.030 10 30 AEEERN C=C(C)CCn1cc([N+](=O)[O-])c(C)n1 586165575 371848931 /nfs/dbraw/zinc/84/89/31/371848931.db2.gz FVLGYVLHARPYCV-UHFFFAOYSA-N 0 0 195.222 2.066 10 30 AEEERN N#Cc1cnccc1/C=C\c1cocn1 585818432 371848965 /nfs/dbraw/zinc/84/89/65/371848965.db2.gz VHZQGMYOQUKWHL-UPHRSURJSA-N 0 0 197.197 2.112 10 30 AEEERN CCN(C[C@H]1C[C@@H]2C[C@@H]2C1)[C@H](C)C#N 595820457 371858692 /nfs/dbraw/zinc/85/86/92/371858692.db2.gz VLZMDQWBJCYDHC-WISYIIOYSA-N 0 0 192.306 2.266 10 30 AEEERN C[C@H](C#N)N(C1CC1)[C@@H]1C=CCCC1 595720272 371857357 /nfs/dbraw/zinc/85/73/57/371857357.db2.gz GYRAQELTWRFGST-GHMZBOCLSA-N 0 0 190.290 2.472 10 30 AEEERN C=CCCCN(C1CC1)[C@@H](C)C#N 595719898 371857490 /nfs/dbraw/zinc/85/74/90/371857490.db2.gz ATRKCPZFZRAVEB-JTQLQIEISA-N 0 0 178.279 2.329 10 30 AEEERN C[C@@H](C#N)N(C1CC1)[C@@H]1C=CCCC1 595720275 371857581 /nfs/dbraw/zinc/85/75/81/371857581.db2.gz GYRAQELTWRFGST-WDEREUQCSA-N 0 0 190.290 2.472 10 30 AEEERN C[C@@H](C#N)N(C1CC1)[C@H]1C=CCCC1 595720274 371857603 /nfs/dbraw/zinc/85/76/03/371857603.db2.gz GYRAQELTWRFGST-QWRGUYRKSA-N 0 0 190.290 2.472 10 30 AEEERN C=CCCCN(C1CC1)[C@H](C)C#N 595719899 371857717 /nfs/dbraw/zinc/85/77/17/371857717.db2.gz ATRKCPZFZRAVEB-SNVBAGLBSA-N 0 0 178.279 2.329 10 30 AEEERN C[C@H](C#N)N(C1CC1)[C@H]1C=CCCC1 595720273 371857831 /nfs/dbraw/zinc/85/78/31/371857831.db2.gz GYRAQELTWRFGST-MNOVXSKESA-N 0 0 190.290 2.472 10 30 AEEERN CCN(CCC(C)(C)OC)[C@@H](C)C#N 595820239 371858652 /nfs/dbraw/zinc/85/86/52/371858652.db2.gz LDQYIZBWXBHWLW-JTQLQIEISA-N 0 0 198.310 2.035 10 30 AEEERN CCN(C[C@H]1C[C@@H]2C[C@@H]2C1)[C@@H](C)C#N 595820458 371858945 /nfs/dbraw/zinc/85/89/45/371858945.db2.gz VLZMDQWBJCYDHC-YFKTTZPYSA-N 0 0 192.306 2.266 10 30 AEEERN CCN(CCC(C)(C)OC)[C@H](C)C#N 595820240 371859045 /nfs/dbraw/zinc/85/90/45/371859045.db2.gz LDQYIZBWXBHWLW-SNVBAGLBSA-N 0 0 198.310 2.035 10 30 AEEERN CCc1nnc(SCCCC#N)o1 603367796 371862612 /nfs/dbraw/zinc/86/26/12/371862612.db2.gz BCPLELGROYIZCC-UHFFFAOYSA-N 0 0 197.263 2.028 10 30 AEEERN C=C(C)CN(C[C@@H](C)C#N)C1CC1 611091244 371864262 /nfs/dbraw/zinc/86/42/62/371864262.db2.gz KCTUOTJFVWWFQT-JTQLQIEISA-N 0 0 178.279 2.187 10 30 AEEERN C=C(C)CN(C[C@H](C)C#N)C1CC1 611091245 371864338 /nfs/dbraw/zinc/86/43/38/371864338.db2.gz KCTUOTJFVWWFQT-SNVBAGLBSA-N 0 0 178.279 2.187 10 30 AEEERN C=CCc1c(C)nc(C)[nH]c1=S 616582144 371870056 /nfs/dbraw/zinc/87/00/56/371870056.db2.gz TWILGMYIGHWIQD-UHFFFAOYSA-N 0 0 180.276 2.111 10 30 AEEERN O[C@@H]1CCC[C@H]1C#Cc1cccs1 616581552 371870312 /nfs/dbraw/zinc/87/03/12/371870312.db2.gz ZTWIXNOMUKJCHS-GXSJLCMTSA-N 0 0 192.283 2.261 10 30 AEEERN C=CCCCNC(=O)N1CC[C@@H]1CC 644294957 371882177 /nfs/dbraw/zinc/88/21/77/371882177.db2.gz QECJLEUZKMEHRS-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCNC(=O)N1CC[C@H]1CC 644294961 371882665 /nfs/dbraw/zinc/88/26/65/371882665.db2.gz QECJLEUZKMEHRS-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=C(C)C(C)(C)C(=O)NC(C)C 644535470 371884182 /nfs/dbraw/zinc/88/41/82/371884182.db2.gz BCUWQBQRONSESY-UHFFFAOYSA-N 0 0 169.268 2.113 10 30 AEEERN C=C(C)C(C)(C)C(=O)Nc1cnoc1 644614402 371888393 /nfs/dbraw/zinc/88/83/93/371888393.db2.gz PJNSDKOPYIYKAQ-UHFFFAOYSA-N 0 0 194.234 2.215 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1CC(C)(C)C1 644713539 371901378 /nfs/dbraw/zinc/90/13/78/371901378.db2.gz GPIXUKCQCKSZFX-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C(C)(C)C(=O)N1CC(C)(F)C1 644713907 371901391 /nfs/dbraw/zinc/90/13/91/371901391.db2.gz KYQKXCFWIPESRJ-UHFFFAOYSA-N 0 0 199.269 2.159 10 30 AEEERN C=CC[C@@H](C)NC(=O)N1CC[C@H]1CC 644895430 371925890 /nfs/dbraw/zinc/92/58/90/371925890.db2.gz XYSUXAIKMICRCR-NXEZZACHSA-N 0 0 196.294 2.145 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC12CC2 644795328 371913212 /nfs/dbraw/zinc/91/32/12/371913212.db2.gz BPNACNTVOFBZAN-VHSXEESVSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC12CC2 644795326 371913349 /nfs/dbraw/zinc/91/33/49/371913349.db2.gz BPNACNTVOFBZAN-NXEZZACHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CC12CC2 644795327 371913371 /nfs/dbraw/zinc/91/33/71/371913371.db2.gz BPNACNTVOFBZAN-UWVGGRQHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CC12CC2 644795329 371913605 /nfs/dbraw/zinc/91/36/05/371913605.db2.gz BPNACNTVOFBZAN-ZJUUUORDSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCC(C)(C)C(=O)N[C@@H]1CC12CC2 644796094 371915227 /nfs/dbraw/zinc/91/52/27/371915227.db2.gz RWSZETGQSSQKCU-SECBINFHSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CC12CC2 644796236 371916333 /nfs/dbraw/zinc/91/63/33/371916333.db2.gz XJDIMGGFPNSSGL-KOLCDFICSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCN(C)C(=O)CC1CC(C)(C)C1 644804197 371916545 /nfs/dbraw/zinc/91/65/45/371916545.db2.gz MMJYPAJUHSJKAN-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=C[C@](C)(CC)C(=O)N[C@H]1CC12CC2 644796235 371916691 /nfs/dbraw/zinc/91/66/91/371916691.db2.gz XJDIMGGFPNSSGL-GXSJLCMTSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCC(C)(C)C(=O)N[C@H]1CC12CC2 644796096 371916779 /nfs/dbraw/zinc/91/67/79/371916779.db2.gz RWSZETGQSSQKCU-VIFPVBQESA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CC12CC2 644796238 371916800 /nfs/dbraw/zinc/91/68/00/371916800.db2.gz XJDIMGGFPNSSGL-ONGXEEELSA-N 0 0 193.290 2.257 10 30 AEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CC12CC2 644796237 371916901 /nfs/dbraw/zinc/91/69/01/371916901.db2.gz XJDIMGGFPNSSGL-MWLCHTKSSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCNC(=O)NC(C)(C)C(C)(C)C 644849495 371922827 /nfs/dbraw/zinc/92/28/27/371922827.db2.gz YVNARRNYIVLTGH-UHFFFAOYSA-N 0 0 198.310 2.296 10 30 AEEERN C=CC[C@H](C)NC(=O)N1CC[C@H]1CC 644895432 371924908 /nfs/dbraw/zinc/92/49/08/371924908.db2.gz XYSUXAIKMICRCR-VHSXEESVSA-N 0 0 196.294 2.145 10 30 AEEERN C=CC[C@@H](C)NC(=O)N1CC[C@@H]1CC 644895433 371925272 /nfs/dbraw/zinc/92/52/72/371925272.db2.gz XYSUXAIKMICRCR-ZJUUUORDSA-N 0 0 196.294 2.145 10 30 AEEERN C=CC[C@H](C)NC(=O)N1CC[C@@H]1CC 644895431 371925838 /nfs/dbraw/zinc/92/58/38/371925838.db2.gz XYSUXAIKMICRCR-UWVGGRQHSA-N 0 0 196.294 2.145 10 30 AEEERN C=CCCCN1Cc2cccnc2C1 644933649 371932602 /nfs/dbraw/zinc/93/26/02/371932602.db2.gz FYVWXVQYSVDXEX-UHFFFAOYSA-N 0 0 188.274 2.363 10 30 AEEERN C=C(C)CCN1Cc2cccnc2C1 644932799 371932617 /nfs/dbraw/zinc/93/26/17/371932617.db2.gz IPRTWFDNUAIOOR-UHFFFAOYSA-N 0 0 188.274 2.363 10 30 AEEERN C=C(CC)CN1Cc2cccnc2C1 644933299 371932857 /nfs/dbraw/zinc/93/28/57/371932857.db2.gz HAILFJBSPASEIF-UHFFFAOYSA-N 0 0 188.274 2.363 10 30 AEEERN C=CCC(C)(C)C(=O)Nc1cnoc1 645233449 371956124 /nfs/dbraw/zinc/95/61/24/371956124.db2.gz JGFUEFPJFBXGBM-UHFFFAOYSA-N 0 0 194.234 2.215 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 645765053 371963987 /nfs/dbraw/zinc/96/39/87/371963987.db2.gz WLZLOVVUZIVRGT-GUDRVLHUSA-N 0 0 193.290 2.113 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 645765056 371964113 /nfs/dbraw/zinc/96/41/13/371964113.db2.gz WLZLOVVUZIVRGT-MWGHHZFTSA-N 0 0 193.290 2.113 10 30 AEEERN CC#CCNC(=O)C(C)(C)C(C)(C)C 645947194 371971414 /nfs/dbraw/zinc/97/14/14/371971414.db2.gz YAQUNKCFWVXAAU-UHFFFAOYSA-N 0 0 195.306 2.198 10 30 AEEERN C=C(C)C[N@H+]1CC[C@@H](OC(C)C)C1 645945387 371972918 /nfs/dbraw/zinc/97/29/18/371972918.db2.gz BCMGVRNPYLYKRC-LLVKDONJSA-N 0 0 183.295 2.062 10 30 AEEERN C=CCC(C)(C)C(=O)N1CC=CCC1 645966896 371973847 /nfs/dbraw/zinc/97/38/47/371973847.db2.gz IFFQCELOJGOYLA-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN COc1ccc(CSC)cc1C#N 83730371 375379938 /nfs/dbraw/zinc/37/99/38/375379938.db2.gz ACCVVBZKGQFDJP-UHFFFAOYSA-N 0 0 193.271 2.430 10 30 AEEERN CC(C)[C@H]1CCCC[C@H]1NCC#N 126074421 375393220 /nfs/dbraw/zinc/39/32/20/375393220.db2.gz WSWLIDQPVDEPOJ-GHMZBOCLSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@@H]1CCCC[C@@H]1NCC#N 126073789 375393235 /nfs/dbraw/zinc/39/32/35/375393235.db2.gz WSWLIDQPVDEPOJ-QWRGUYRKSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@@H]1CCCC[C@H]1NCC#N 126074206 375393379 /nfs/dbraw/zinc/39/33/79/375393379.db2.gz WSWLIDQPVDEPOJ-WDEREUQCSA-N 0 0 180.295 2.314 10 30 AEEERN CC(C)[C@H]1CCCC[C@@H]1NCC#N 126073963 375393464 /nfs/dbraw/zinc/39/34/64/375393464.db2.gz WSWLIDQPVDEPOJ-MNOVXSKESA-N 0 0 180.295 2.314 10 30 AEEERN CCCC(=O)O/N=C/c1ccccc1 202185258 375410125 /nfs/dbraw/zinc/41/01/25/375410125.db2.gz QHYUMBLVEWCHJX-FMIVXFBMSA-N 0 0 191.230 2.364 10 30 AEEERN C=CCN(CC=C)Cc1ccco1 205386149 375413819 /nfs/dbraw/zinc/41/38/19/375413819.db2.gz CUTGOWZXAJFVMO-UHFFFAOYSA-N 0 0 177.247 2.454 10 30 AEEERN CC[C@@]1(C)CCN([C@H](C)C#N)C1 306654413 375456369 /nfs/dbraw/zinc/45/63/69/375456369.db2.gz WCHZTLNTITWUGO-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN CC(=O)[C@@](C)(C#N)[C@@H]1C=CCCC1 238179828 375427274 /nfs/dbraw/zinc/42/72/74/375427274.db2.gz XWSVBOIBCIIFBH-GHMZBOCLSA-N 0 0 177.247 2.462 10 30 AEEERN CC(C)C[C@H](C)n1cc(C#N)cn1 238180230 375427286 /nfs/dbraw/zinc/42/72/86/375427286.db2.gz WPHUBEFEYWJCDI-VIFPVBQESA-N 0 0 177.251 2.362 10 30 AEEERN CC(=O)[C@@](C)(C#N)[C@H]1C=CCCC1 238179810 375427331 /nfs/dbraw/zinc/42/73/31/375427331.db2.gz XWSVBOIBCIIFBH-WDEREUQCSA-N 0 0 177.247 2.462 10 30 AEEERN Cc1cc(C#N)cnc1C(F)(F)F 238483547 375428721 /nfs/dbraw/zinc/42/87/21/375428721.db2.gz FNNLQIMAYMYALA-UHFFFAOYSA-N 0 0 186.136 2.281 10 30 AEEERN Cc1cc(C#N)ccc1OC(F)F 238482330 375428772 /nfs/dbraw/zinc/42/87/72/375428772.db2.gz DZMMITOZFXIIGR-UHFFFAOYSA-N 0 0 183.157 2.468 10 30 AEEERN N#CC1(CC(F)(F)F)CCOCC1 260595297 375435824 /nfs/dbraw/zinc/43/58/24/375435824.db2.gz AODQBQGVUVSMNG-UHFFFAOYSA-N 0 0 193.168 2.259 10 30 AEEERN CSC[C@@H](C#N)C(C)C 260506008 375435917 /nfs/dbraw/zinc/43/59/17/375435917.db2.gz PRNBCBVCGPEPQW-SSDOTTSWSA-N 0 0 143.255 2.145 10 30 AEEERN N#CC1(CC2CC2)CCOCC1 260581466 375435928 /nfs/dbraw/zinc/43/59/28/375435928.db2.gz VHFXALYYIHXFOU-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN N#Cc1ncc(-c2ccccc2F)o1 260496314 375435942 /nfs/dbraw/zinc/43/59/42/375435942.db2.gz VLWBLGIZKCTUFJ-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN Cc1ccc(C2(C#N)CCC2)nc1 260578147 375436028 /nfs/dbraw/zinc/43/60/28/375436028.db2.gz VCOXAPCWPNAOIE-UHFFFAOYSA-N 0 0 172.231 2.335 10 30 AEEERN CSC[C@H](C#N)C(C)C 260506013 375436193 /nfs/dbraw/zinc/43/61/93/375436193.db2.gz PRNBCBVCGPEPQW-ZETCQYMHSA-N 0 0 143.255 2.145 10 30 AEEERN Cc1ccncc1C1=CCCC1=O 306152946 375440054 /nfs/dbraw/zinc/44/00/54/375440054.db2.gz BXJHFSFHSQUZHV-UHFFFAOYSA-N 0 0 173.215 2.136 10 30 AEEERN C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H]1C 306527003 375452485 /nfs/dbraw/zinc/45/24/85/375452485.db2.gz WDDYQKMGIUVYSO-NXEZZACHSA-N 0 0 180.295 2.266 10 30 AEEERN CC[C@@]1(C)CCN([C@@H](C)C#N)C1 306654411 375456263 /nfs/dbraw/zinc/45/62/63/375456263.db2.gz WCHZTLNTITWUGO-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@]1(C)CCN([C@@H](C)C#N)C1 306654412 375456292 /nfs/dbraw/zinc/45/62/92/375456292.db2.gz WCHZTLNTITWUGO-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@]1(C)CCN([C@H](C)C#N)C1 306654410 375456353 /nfs/dbraw/zinc/45/63/53/375456353.db2.gz WCHZTLNTITWUGO-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1cc(Cl)cc(C#N)c1[N+](=O)[O-] 307037059 375464977 /nfs/dbraw/zinc/46/49/77/375464977.db2.gz ZMWSQXACSPRXNR-UHFFFAOYSA-N 0 0 196.593 2.428 10 30 AEEERN C#CCN(C(=O)OC(C)(C)C)C(C)C 307686451 375475676 /nfs/dbraw/zinc/47/56/76/375475676.db2.gz BBOQGWMGBGUHDZ-UHFFFAOYSA-N 0 0 197.278 2.265 10 30 AEEERN C/C(=C/Cl)CC1(C=O)CC1 316640921 375477326 /nfs/dbraw/zinc/47/73/26/375477326.db2.gz VKUDQAFAJIQGCS-ALCCZGGFSA-N 0 0 158.628 2.498 10 30 AEEERN C=CCC(C)(C)c1noc(COC)n1 349722035 375495210 /nfs/dbraw/zinc/49/52/10/375495210.db2.gz FOQIZKYVPJIZGI-UHFFFAOYSA-N 0 0 196.250 2.070 10 30 AEEERN C=CCCc1noc([C@H]2CC23CC3)n1 351311544 375495721 /nfs/dbraw/zinc/49/57/21/375495721.db2.gz XFBHTHDVOAOQGD-MRVPVSSYSA-N 0 0 190.246 2.456 10 30 AEEERN C=CCCc1noc(C2(F)CC2)n1 351370315 375497091 /nfs/dbraw/zinc/49/70/91/375497091.db2.gz DMWFMNKEBPKJEC-UHFFFAOYSA-N 0 0 182.198 2.147 10 30 AEEERN C=CCCc1noc([C@@H]2CC23CC3)n1 351311545 375497283 /nfs/dbraw/zinc/49/72/83/375497283.db2.gz XFBHTHDVOAOQGD-QMMMGPOBSA-N 0 0 190.246 2.456 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403379174 375528079 /nfs/dbraw/zinc/52/80/79/375528079.db2.gz PWNULYIAFLYETB-AXFHLTTASA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403379177 375528213 /nfs/dbraw/zinc/52/82/13/375528213.db2.gz PWNULYIAFLYETB-GMTAPVOTSA-N 0 0 193.290 2.115 10 30 AEEERN CC1(C)CC(Cn2ccnc2C#N)C1 530108422 375545019 /nfs/dbraw/zinc/54/50/19/375545019.db2.gz MWBARMGSUSTZJX-UHFFFAOYSA-N 0 0 189.262 2.191 10 30 AEEERN CC1(C)CC(Cn2cc(C#N)cn2)C1 530110384 375545046 /nfs/dbraw/zinc/54/50/46/375545046.db2.gz XOCDPZNRJMPVSN-UHFFFAOYSA-N 0 0 189.262 2.191 10 30 AEEERN CCc1ccc(F)c(OC)c1CC#N 575703232 375552093 /nfs/dbraw/zinc/55/20/93/375552093.db2.gz YUILQORGMLVQGD-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1cc(OC)c(CC#N)cc1F 575703154 375552176 /nfs/dbraw/zinc/55/21/76/375552176.db2.gz XYPMBIRXTDXVHR-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN CCc1ccc(OC)c(CC#N)c1F 575703081 375552250 /nfs/dbraw/zinc/55/22/50/375552250.db2.gz WKYJZEHYFZMMGI-UHFFFAOYSA-N 0 0 193.221 2.463 10 30 AEEERN C(=N/c1ccccc1)\n1ccnc1 584613951 375553119 /nfs/dbraw/zinc/55/31/19/375553119.db2.gz PMGSOJFNWZTBKJ-FMIVXFBMSA-N 0 0 171.203 2.091 10 30 AEEERN C=CCCCON1C(=O)C[C@H]1C(=C)C 584614078 375553290 /nfs/dbraw/zinc/55/32/90/375553290.db2.gz XGEYTOAJEBDJRC-JTQLQIEISA-N 0 0 195.262 2.061 10 30 AEEERN C=CCCCON1C(=O)C[C@@H]1C(=C)C 584614079 375553514 /nfs/dbraw/zinc/55/35/14/375553514.db2.gz XGEYTOAJEBDJRC-SNVBAGLBSA-N 0 0 195.262 2.061 10 30 AEEERN C#CCOc1cccc(C=C)c1 584613840 375553578 /nfs/dbraw/zinc/55/35/78/375553578.db2.gz KCUJPARJUFRDQK-UHFFFAOYSA-N 0 0 158.200 2.342 10 30 AEEERN C=CCOCCc1cccs1 584621343 375554167 /nfs/dbraw/zinc/55/41/67/375554167.db2.gz CXLMXXIBVCMYJS-UHFFFAOYSA-N 0 0 168.261 2.493 10 30 AEEERN COCc1cccc2c1CC[C@@H]2C#N 584634624 375554740 /nfs/dbraw/zinc/55/47/40/375554740.db2.gz UCJHGBKJQJYVGV-SECBINFHSA-N 0 0 187.242 2.386 10 30 AEEERN COCc1cccc2c1CC[C@H]2C#N 584634626 375554777 /nfs/dbraw/zinc/55/47/77/375554777.db2.gz UCJHGBKJQJYVGV-VIFPVBQESA-N 0 0 187.242 2.386 10 30 AEEERN CN(C)/N=C/[C@]1(C)C=CC=CC1 584651902 375555243 /nfs/dbraw/zinc/55/52/43/375555243.db2.gz FEWMKHUQNYKFAI-OYVNLZQHSA-N 0 0 164.252 2.056 10 30 AEEERN CCC#CC(=O)Nc1ccc(F)cc1 584651680 375555394 /nfs/dbraw/zinc/55/53/94/375555394.db2.gz HKLMYEJMUVTMAK-UHFFFAOYSA-N 0 0 191.205 2.178 10 30 AEEERN CN(C)/N=C/[C@@]1(C)C=CC=CC1 584651905 375555533 /nfs/dbraw/zinc/55/55/33/375555533.db2.gz FEWMKHUQNYKFAI-SPQRFVMMSA-N 0 0 164.252 2.056 10 30 AEEERN Cc1cncc(C#Cc2ccccc2)n1 585145067 375557228 /nfs/dbraw/zinc/55/72/28/375557228.db2.gz VIYTTYCWSBDKIP-UHFFFAOYSA-N 0 0 194.237 2.185 10 30 AEEERN CC(C)c1noc(CC2(C#N)CC2)n1 590264419 375559259 /nfs/dbraw/zinc/55/92/59/375559259.db2.gz PIAXHGDNWNOSKB-UHFFFAOYSA-N 0 0 191.234 2.039 10 30 AEEERN N#CCCSCc1ccncc1 591133913 375560448 /nfs/dbraw/zinc/56/04/48/375560448.db2.gz BSFHCXKHYSOSIJ-UHFFFAOYSA-N 0 0 178.260 2.228 10 30 AEEERN CC[C@H]1CCN1C(=O)CCCCC#N 594037618 375563173 /nfs/dbraw/zinc/56/31/73/375563173.db2.gz AQSUPENYTCYRFE-JTQLQIEISA-N 0 0 194.278 2.081 10 30 AEEERN CC[C@@H](NCC#N)c1ccccc1F 594019162 375563211 /nfs/dbraw/zinc/56/32/11/375563211.db2.gz BXOIUQRANACLOQ-LLVKDONJSA-N 0 0 192.237 2.390 10 30 AEEERN CC/C=C\CNC(=O)CCCCC#N 594037052 375563358 /nfs/dbraw/zinc/56/33/58/375563358.db2.gz DFBKONNUTVXMSA-CLTKARDFSA-N 0 0 194.278 2.153 10 30 AEEERN C=C(C)CCNC(=O)CCCCC#N 594037047 375563483 /nfs/dbraw/zinc/56/34/83/375563483.db2.gz DCCMFRXYOLJKCN-UHFFFAOYSA-N 0 0 194.278 2.153 10 30 AEEERN CC/C=C/CNC(=O)CCCCC#N 594037053 375563514 /nfs/dbraw/zinc/56/35/14/375563514.db2.gz DFBKONNUTVXMSA-XVNBXDOJSA-N 0 0 194.278 2.153 10 30 AEEERN CCC1(NC(=O)CCCCC#N)CC1 594034884 375563579 /nfs/dbraw/zinc/56/35/79/375563579.db2.gz BDPRKGUMCAEICF-UHFFFAOYSA-N 0 0 194.278 2.129 10 30 AEEERN CC[C@@H]1CCN1C(=O)CCCCC#N 594037622 375563596 /nfs/dbraw/zinc/56/35/96/375563596.db2.gz AQSUPENYTCYRFE-SNVBAGLBSA-N 0 0 194.278 2.081 10 30 AEEERN C=CCN(CC=C)Cc1conc1C 646046840 375572539 /nfs/dbraw/zinc/57/25/39/375572539.db2.gz MZRIHUDWYGDLPJ-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN C=CCC(C)(C)C(=O)N1CC(C)(F)C1 646123016 375577910 /nfs/dbraw/zinc/57/79/10/375577910.db2.gz AEDROLPMWIZGJF-UHFFFAOYSA-N 0 0 199.269 2.159 10 30 AEEERN C=CCN(Cc1conc1C)C1CC1 646160080 375581043 /nfs/dbraw/zinc/58/10/43/375581043.db2.gz RWGPOANAFPWQAZ-UHFFFAOYSA-N 0 0 192.262 2.133 10 30 AEEERN CC#CCCCC(=O)N1CC[C@H]1CC 647057796 375611519 /nfs/dbraw/zinc/61/15/19/375611519.db2.gz VMIWJWOJIDEJSF-LLVKDONJSA-N 0 0 193.290 2.191 10 30 AEEERN CC#CCCCC(=O)N1CC[C@@H]1CC 647057797 375611533 /nfs/dbraw/zinc/61/15/33/375611533.db2.gz VMIWJWOJIDEJSF-NSHDSACASA-N 0 0 193.290 2.191 10 30 AEEERN C=CCOCCn1cc(C(C)C)cn1 647163151 375628108 /nfs/dbraw/zinc/62/81/08/375628108.db2.gz HVFLTUNAXLJRDJ-UHFFFAOYSA-N 0 0 194.278 2.209 10 30 AEEERN C=CCCCCn1cccc(F)c1=O 647138452 375624192 /nfs/dbraw/zinc/62/41/92/375624192.db2.gz ABVOGGSIOVDFBW-UHFFFAOYSA-N 0 0 195.237 2.344 10 30 AEEERN CC#CCCCC(=O)NCC[C@@H](C)F 647272632 375636937 /nfs/dbraw/zinc/63/69/37/375636937.db2.gz HMAGGHRCXKXQCH-SNVBAGLBSA-N 0 0 199.269 2.044 10 30 AEEERN CC#CCCCC(=O)NCC[C@H](C)F 647272631 375637337 /nfs/dbraw/zinc/63/73/37/375637337.db2.gz HMAGGHRCXKXQCH-JTQLQIEISA-N 0 0 199.269 2.044 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@@H]1C 647312517 375639179 /nfs/dbraw/zinc/63/91/79/375639179.db2.gz WYKXUBARLKYALJ-AXFHLTTASA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[C@@H]1C 647312518 375639237 /nfs/dbraw/zinc/63/92/37/375639237.db2.gz WYKXUBARLKYALJ-DCAQKATOSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[C@H]1C 647312519 375639311 /nfs/dbraw/zinc/63/93/11/375639311.db2.gz WYKXUBARLKYALJ-GARJFASQSA-N 0 0 195.306 2.456 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H]1C 647312520 375639548 /nfs/dbraw/zinc/63/95/48/375639548.db2.gz WYKXUBARLKYALJ-HBNTYKKESA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1C[C@H](C)[C@H]1C 647313709 375640330 /nfs/dbraw/zinc/64/03/30/375640330.db2.gz VUWUCORECDAPPI-HOSYDEDBSA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1C[C@H](C)[C@@H]1C 647313710 375640655 /nfs/dbraw/zinc/64/06/55/375640655.db2.gz VUWUCORECDAPPI-JBLDHEPKSA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@@H]1C 647313711 375640913 /nfs/dbraw/zinc/64/09/13/375640913.db2.gz VUWUCORECDAPPI-JFGNBEQYSA-N 0 0 195.306 2.456 10 30 AEEERN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]1C 647313708 375640942 /nfs/dbraw/zinc/64/09/42/375640942.db2.gz VUWUCORECDAPPI-CKYFFXLPSA-N 0 0 195.306 2.456 10 30 AEEERN CC#CCCCC(=O)N1C[C@@H](C)[C@H]1C 647314927 375641862 /nfs/dbraw/zinc/64/18/62/375641862.db2.gz IRZOJSZFUPLZFW-GHMZBOCLSA-N 0 0 193.290 2.047 10 30 AEEERN CC#CCCCC(=O)N1C[C@@H](C)[C@@H]1C 647314928 375642197 /nfs/dbraw/zinc/64/21/97/375642197.db2.gz IRZOJSZFUPLZFW-MNOVXSKESA-N 0 0 193.290 2.047 10 30 AEEERN CC#CCCCC(=O)N1C[C@H](C)[C@H]1C 647314930 375642219 /nfs/dbraw/zinc/64/22/19/375642219.db2.gz IRZOJSZFUPLZFW-WDEREUQCSA-N 0 0 193.290 2.047 10 30 AEEERN CC#CCCCC(=O)N1C[C@H](C)[C@@H]1C 647314929 375642258 /nfs/dbraw/zinc/64/22/58/375642258.db2.gz IRZOJSZFUPLZFW-QWRGUYRKSA-N 0 0 193.290 2.047 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(C)CC#CC 647540849 375653924 /nfs/dbraw/zinc/65/39/24/375653924.db2.gz HCNSZQQYHAGWRI-NSHDSACASA-N 0 0 193.290 2.070 10 30 AEEERN CC#CCN(C)C(=O)[C@H](C)CCCC 647541333 375654119 /nfs/dbraw/zinc/65/41/19/375654119.db2.gz FYNSAYWZSHOHDY-LLVKDONJSA-N 0 0 195.306 2.294 10 30 AEEERN CC#CCN(C)C(=O)[C@@H](C)CCCC 647541334 375654308 /nfs/dbraw/zinc/65/43/08/375654308.db2.gz FYNSAYWZSHOHDY-NSHDSACASA-N 0 0 195.306 2.294 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N(C)CC#CC 647540848 375654401 /nfs/dbraw/zinc/65/44/01/375654401.db2.gz HCNSZQQYHAGWRI-LLVKDONJSA-N 0 0 193.290 2.070 10 30 AEEERN CC#CCN(C)C(=O)[C@H](C)CC(C)C 647541968 375654829 /nfs/dbraw/zinc/65/48/29/375654829.db2.gz CDNXRACURJPXMY-LLVKDONJSA-N 0 0 195.306 2.150 10 30 AEEERN CC#CCN(C)C(=O)[C@@H](C)CC(C)C 647541969 375654967 /nfs/dbraw/zinc/65/49/67/375654967.db2.gz CDNXRACURJPXMY-NSHDSACASA-N 0 0 195.306 2.150 10 30 AEEERN CC#CCN(C)C(=O)C(C)(CC)CC 647541875 375655062 /nfs/dbraw/zinc/65/50/62/375655062.db2.gz AIFSXVLNTCIYCK-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN CC#CCn1ccc(C(C)(C)C)n1 647881249 375672158 /nfs/dbraw/zinc/67/21/58/375672158.db2.gz BBLPCGVBWOVHMV-UHFFFAOYSA-N 0 0 176.263 2.204 10 30 AEEERN C=C(C)CN1CC[C@H]1C(F)(F)F 647935760 375678229 /nfs/dbraw/zinc/67/82/29/375678229.db2.gz PCZOXEOTNJGGLU-ZETCQYMHSA-N 0 0 179.185 2.199 10 30 AEEERN C=C(C)CN1CC[C@@H]1C(F)(F)F 647935759 375678360 /nfs/dbraw/zinc/67/83/60/375678360.db2.gz PCZOXEOTNJGGLU-SSDOTTSWSA-N 0 0 179.185 2.199 10 30 AEEERN C=CCN(CC=C)Cc1coc(C)n1 647958352 375680660 /nfs/dbraw/zinc/68/06/60/375680660.db2.gz QDGUEBTULWKHJO-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1CC 648077113 375689845 /nfs/dbraw/zinc/68/98/45/375689845.db2.gz IDXSSSJOZSQOGQ-GHMZBOCLSA-N 0 0 193.290 2.233 10 30 AEEERN C=CCNC(=O)CCCC(C)C 648078635 375690991 /nfs/dbraw/zinc/69/09/91/375690991.db2.gz CXUVLCXZBFPTRT-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CC(C)(C)C(=O)N(C)CCCC 648119785 375694473 /nfs/dbraw/zinc/69/44/73/375694473.db2.gz HRJCAZLNHKNZKM-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CC(C)(C)C(=O)N(C)C(C)C 648129972 375694862 /nfs/dbraw/zinc/69/48/62/375694862.db2.gz ALGYWXIYWSASCP-UHFFFAOYSA-N 0 0 169.268 2.065 10 30 AEEERN C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]1CC 648139595 375696737 /nfs/dbraw/zinc/69/67/37/375696737.db2.gz AAPJROSXVISRQZ-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CC(C)(C)C(=O)N(CC)CC1CC1 648312301 375709414 /nfs/dbraw/zinc/70/94/14/375709414.db2.gz CNWOSRJXKRLBQD-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 648669754 375729191 /nfs/dbraw/zinc/72/91/91/375729191.db2.gz TWIDQRACLHLPEP-GMTAPVOTSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCCC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 648669753 375729659 /nfs/dbraw/zinc/72/96/59/375729659.db2.gz TWIDQRACLHLPEP-GARJFASQSA-N 0 0 193.290 2.257 10 30 AEEERN C=CCNC(=O)[C@H]1C[C@H]1C1CCCC1 650989025 409319836 /nfs/dbraw/zinc/31/98/36/409319836.db2.gz XCYLVDYQWRIYDH-QWRGUYRKSA-N 0 0 193.290 2.115 10 30 AEEERN C=C(C)CCNC(=O)[C@@H](C)CC 650931219 409317994 /nfs/dbraw/zinc/31/79/94/409317994.db2.gz HYLAZCAOIHRXJA-VIFPVBQESA-N 0 0 169.268 2.115 10 30 AEEERN C=C(C)CCNC(=O)CC(C)C 650931243 409318494 /nfs/dbraw/zinc/31/84/94/409318494.db2.gz DFAFCWRZWCHIQA-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]1CC 650970643 409318691 /nfs/dbraw/zinc/31/86/91/409318691.db2.gz JVOJKLGOGXZCBK-NXEZZACHSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(C)CCNC(=O)CCCC 650931247 409318863 /nfs/dbraw/zinc/31/88/63/409318863.db2.gz FWMIIRFAPQNVQH-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN C=C(C)CCNC(=O)[C@H](C)CC 650931218 409318961 /nfs/dbraw/zinc/31/89/61/409318961.db2.gz HYLAZCAOIHRXJA-SECBINFHSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCNC(=O)[C@@H]1C[C@H]1C1CCCC1 650989026 409319902 /nfs/dbraw/zinc/31/99/02/409319902.db2.gz XCYLVDYQWRIYDH-WDEREUQCSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCNC(=O)[C@H]1C[C@@H]1C1CCCC1 650989024 409320272 /nfs/dbraw/zinc/32/02/72/409320272.db2.gz XCYLVDYQWRIYDH-MNOVXSKESA-N 0 0 193.290 2.115 10 30 AEEERN C=CCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 650989023 409320539 /nfs/dbraw/zinc/32/05/39/409320539.db2.gz XCYLVDYQWRIYDH-GHMZBOCLSA-N 0 0 193.290 2.115 10 30 AEEERN C=C[C@@H](C)NC(=O)N[C@H](C)C(C)(C)C 651426157 409330166 /nfs/dbraw/zinc/33/01/66/409330166.db2.gz IPDZSGDVKGPWSX-RKDXNWHRSA-N 0 0 198.310 2.295 10 30 AEEERN C=CCN(C)C(=O)N[C@H](C)C(C)(C)C 651427920 409330300 /nfs/dbraw/zinc/33/03/00/409330300.db2.gz WJTVUBUAVCFXGJ-SECBINFHSA-N 0 0 198.310 2.248 10 30 AEEERN C=C[C@H](C)NC(=O)N[C@H](C)C(C)(C)C 651426156 409330593 /nfs/dbraw/zinc/33/05/93/409330593.db2.gz IPDZSGDVKGPWSX-DTWKUNHWSA-N 0 0 198.310 2.295 10 30 AEEERN C=C(C)CNC(=O)N[C@H](C)C(C)(C)C 651427552 409330951 /nfs/dbraw/zinc/33/09/51/409330951.db2.gz JMNXFANDVWMQPN-SECBINFHSA-N 0 0 198.310 2.296 10 30 AEEERN C=CCNC(=O)C1(C2CCC2)CCC1 652001870 409345874 /nfs/dbraw/zinc/34/58/74/409345874.db2.gz RZLFSQAUHZMOAX-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCn1c(SC)nnc1C1CC1 41361856 409349984 /nfs/dbraw/zinc/34/99/84/409349984.db2.gz DKHYYXRNBZFBTL-UHFFFAOYSA-N 0 0 195.291 2.063 10 30 AEEERN C=C(C)CCNC(=O)N[C@H]1CC[C@@H]1C 652685351 409356896 /nfs/dbraw/zinc/35/68/96/409356896.db2.gz CKWFBSHQJDGNDV-UWVGGRQHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCC(=O)N1CCC12CCCC2 652577112 409357064 /nfs/dbraw/zinc/35/70/64/409357064.db2.gz MTEOQQOCSCWUKZ-UHFFFAOYSA-N 0 0 193.290 2.498 10 30 AEEERN C=C(CC)CNC(=O)N[C@H]1CC[C@@H]1C 652685346 409357490 /nfs/dbraw/zinc/35/74/90/409357490.db2.gz AYASDATXECILNP-UWVGGRQHSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(C)CCNC(=O)N[C@@H]1CC[C@@H]1C 652685352 409357674 /nfs/dbraw/zinc/35/76/74/409357674.db2.gz CKWFBSHQJDGNDV-VHSXEESVSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(C)CCNC(=O)N[C@H]1CC[C@H]1C 652685353 409357824 /nfs/dbraw/zinc/35/78/24/409357824.db2.gz CKWFBSHQJDGNDV-ZJUUUORDSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(CC)CNC(=O)N[C@@H]1CC[C@@H]1C 652685347 409357888 /nfs/dbraw/zinc/35/78/88/409357888.db2.gz AYASDATXECILNP-VHSXEESVSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(C)CCNC(=O)N[C@@H]1CC[C@H]1C 652685350 409358016 /nfs/dbraw/zinc/35/80/16/409358016.db2.gz CKWFBSHQJDGNDV-NXEZZACHSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(CC)CNC(=O)N[C@@H]1CC[C@H]1C 652685338 409358040 /nfs/dbraw/zinc/35/80/40/409358040.db2.gz AYASDATXECILNP-NXEZZACHSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(CC)CNC(=O)N[C@H]1CC[C@H]1C 652685349 409358072 /nfs/dbraw/zinc/35/80/72/409358072.db2.gz AYASDATXECILNP-ZJUUUORDSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(C)CCNC(=O)N1CC[C@H]1CC 653058009 409363309 /nfs/dbraw/zinc/36/33/09/409363309.db2.gz MQDCBVSAFWEXFX-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=C(C)CCNC(=O)N1CC[C@@H]1CC 653058008 409364560 /nfs/dbraw/zinc/36/45/60/409364560.db2.gz MQDCBVSAFWEXFX-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN C=C(CC)CNC(=O)N1CC[C@H]1CC 653268183 409365984 /nfs/dbraw/zinc/36/59/84/409365984.db2.gz JEYLSLNMRKBDPR-SNVBAGLBSA-N 0 0 196.294 2.147 10 30 AEEERN C=C(CC)CNC(=O)N1CC[C@@H]1CC 653268182 409366785 /nfs/dbraw/zinc/36/67/85/409366785.db2.gz JEYLSLNMRKBDPR-JTQLQIEISA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCCCNC(=O)NC(C)C 653477432 409372042 /nfs/dbraw/zinc/37/20/42/409372042.db2.gz NPBJTUPEDYLOGK-UHFFFAOYSA-N 0 0 198.310 2.440 10 30 AEEERN C=CCCCCCNC(=O)NCCC 653477620 409372139 /nfs/dbraw/zinc/37/21/39/409372139.db2.gz WVPFAQPYIDNPTD-UHFFFAOYSA-N 0 0 198.310 2.442 10 30 AEEERN C=CCCCCCNC(=O)NCC=C 653477659 409372214 /nfs/dbraw/zinc/37/22/14/409372214.db2.gz ZAVIDEFSLURVEH-UHFFFAOYSA-N 0 0 196.294 2.218 10 30 AEEERN C=CCCCCCNC(=O)NC1CC1 653477439 409372367 /nfs/dbraw/zinc/37/23/67/409372367.db2.gz NXBAEGJTSKGEDI-UHFFFAOYSA-N 0 0 196.294 2.194 10 30 AEEERN C=CCCCCCNC(=O)NCC 653477421 409372854 /nfs/dbraw/zinc/37/28/54/409372854.db2.gz MWWOXQNUZLUPDA-UHFFFAOYSA-N 0 0 184.283 2.052 10 30 AEEERN CCc1nccn1CCCCC#N 49579507 409374581 /nfs/dbraw/zinc/37/45/81/409374581.db2.gz CGWDNRODYDHDPF-UHFFFAOYSA-N 0 0 177.251 2.139 10 30 AEEERN C=CCN(C)Cc1c(C)nsc1C 653624084 409375256 /nfs/dbraw/zinc/37/52/56/409375256.db2.gz WULSQKXMCADONJ-UHFFFAOYSA-N 0 0 196.319 2.378 10 30 AEEERN C=CCN1Cc2cc(F)c(F)cc2C1 653833182 409380988 /nfs/dbraw/zinc/38/09/88/409380988.db2.gz DXQNNHGVVOJEPW-UHFFFAOYSA-N 0 0 195.212 2.466 10 30 AEEERN C=CCCCN(CC)c1cnn(C)c1 653861543 409382703 /nfs/dbraw/zinc/38/27/03/409382703.db2.gz BPFCZFMIOBHBHW-UHFFFAOYSA-N 0 0 193.294 2.213 10 30 AEEERN C=CCCCCCNC(=O)CC 654069887 409385560 /nfs/dbraw/zinc/38/55/60/409385560.db2.gz ZRGIGBMHTXFZLC-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN C=CCCCCCNC(=O)C1CC1 654069787 409385665 /nfs/dbraw/zinc/38/56/65/409385665.db2.gz NKPXYRULBURDBI-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=C(CC)CNC(=O)[C@H]1C[C@H]1C(C)C 654373098 409386795 /nfs/dbraw/zinc/38/67/95/409386795.db2.gz DCIKHXSBPXQJNR-QWRGUYRKSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC)CNC(=O)[C@@H]1C[C@@H]1C(C)C 654373096 409386908 /nfs/dbraw/zinc/38/69/08/409386908.db2.gz DCIKHXSBPXQJNR-GHMZBOCLSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC)CNC(=O)[C@@H]1C[C@H]1CC 654373028 409387141 /nfs/dbraw/zinc/38/71/41/409387141.db2.gz LVMVDNJYCZMFQL-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C=C(CC)CNC(=O)[C@@H]1C[C@H]1C(C)C 654373099 409387220 /nfs/dbraw/zinc/38/72/20/409387220.db2.gz DCIKHXSBPXQJNR-WDEREUQCSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC)CNC(=O)[C@H]1C[C@@H]1C(C)C 654373097 409387233 /nfs/dbraw/zinc/38/72/33/409387233.db2.gz DCIKHXSBPXQJNR-MNOVXSKESA-N 0 0 195.306 2.361 10 30 AEEERN C=C(CC)CNC(=O)CCC(F)F 654373066 409387739 /nfs/dbraw/zinc/38/77/39/409387739.db2.gz OYWQSEXFUNVYHW-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN C=CCCC(=O)NC1(C2(C)CC2)CC1 654216591 409387805 /nfs/dbraw/zinc/38/78/05/409387805.db2.gz WYFGOSRVCOSTSY-UHFFFAOYSA-N 0 0 193.290 2.402 10 30 AEEERN C=C(CC)CNC(=O)C1(CCF)CC1 654373056 409387983 /nfs/dbraw/zinc/38/79/83/409387983.db2.gz LTATUTZGTWSXIE-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=C(CC)CNC(=O)CC(C)C 654378087 409389568 /nfs/dbraw/zinc/38/95/68/409389568.db2.gz HUYFPSKKLAZHOF-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=CCCC(=O)NCC(=C)CC 654376575 409390317 /nfs/dbraw/zinc/39/03/17/409390317.db2.gz AYHMSFCGGCLTAJ-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=CCCC(=O)NC[C@@H]1C[C@H]1C1CC1 654404828 409390979 /nfs/dbraw/zinc/39/09/79/409390979.db2.gz UKVCJVRLFPHKIJ-QWRGUYRKSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCCCCCNC(=O)N(C)CC 654665169 409393325 /nfs/dbraw/zinc/39/33/25/409393325.db2.gz WSEANKMPYDHJKB-UHFFFAOYSA-N 0 0 198.310 2.394 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)N1CC(CC)C1 654697219 409392788 /nfs/dbraw/zinc/39/27/88/409392788.db2.gz GWNAXNBNWOLAAX-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N1CC(CC)C1 654697218 409393442 /nfs/dbraw/zinc/39/34/42/409393442.db2.gz GWNAXNBNWOLAAX-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCCCNC(=O)N1CCC1 654664826 409393780 /nfs/dbraw/zinc/39/37/80/409393780.db2.gz WRESEBZYHQRFHN-UHFFFAOYSA-N 0 0 196.294 2.148 10 30 AEEERN C=CCNC(=O)C1CC(C(C)(C)C)C1 654840530 409395476 /nfs/dbraw/zinc/39/54/76/409395476.db2.gz VWOOIASQCRQIIE-UHFFFAOYSA-N 0 0 195.306 2.361 10 30 AEEERN C=CCCC(=O)N1CC(C(C)(C)C)C1 654724170 409396088 /nfs/dbraw/zinc/39/60/88/409396088.db2.gz HBPHAROVXREQFB-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCNC(=O)NC(C)(C)C1CCC1 654853172 409398069 /nfs/dbraw/zinc/39/80/69/409398069.db2.gz QERKSGAYHSSLIZ-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNC(=O)N1CC(CC)(CC)C1 654853173 409398390 /nfs/dbraw/zinc/39/83/90/409398390.db2.gz RXZJGPRFOZXDFZ-UHFFFAOYSA-N 0 0 196.294 2.004 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H](C)C1CCC1 655041136 409401594 /nfs/dbraw/zinc/40/15/94/409401594.db2.gz DJNNDRPDAVBUSW-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(C)C(=O)[C@H](C)C1CCC1 655053085 409401859 /nfs/dbraw/zinc/40/18/59/409401859.db2.gz CGLHQKPPGPUZEF-SECBINFHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CCN(C)C(=O)[C@@H](C)C1CCC1 655053086 409402078 /nfs/dbraw/zinc/40/20/78/409402078.db2.gz CGLHQKPPGPUZEF-VIFPVBQESA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)CN(C)C(=O)[C@H](C)C1CCC1 655041137 409402224 /nfs/dbraw/zinc/40/22/24/409402224.db2.gz DJNNDRPDAVBUSW-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCCCNC(=O)N(C)C 655247038 409404700 /nfs/dbraw/zinc/40/47/00/409404700.db2.gz WHMXKZYTBGCKFJ-UHFFFAOYSA-N 0 0 184.283 2.004 10 30 AEEERN C=C(C)CCn1cc(CC)cn1 655690076 409415519 /nfs/dbraw/zinc/41/55/19/409415519.db2.gz USNMDELPDSJXJC-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN C=C(CC)Cn1cc(CC)cn1 655688739 409415776 /nfs/dbraw/zinc/41/57/76/409415776.db2.gz DLXJRZNMBGGBNN-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN C=C(C)Cn1cc(CC)cn1 655688741 409416234 /nfs/dbraw/zinc/41/62/34/409416234.db2.gz DOFNVVJDHHEISB-UHFFFAOYSA-N 0 0 150.225 2.022 10 30 AEEERN C=CCCCCC[NH2+]Cc1cc[nH]n1 655825604 409417505 /nfs/dbraw/zinc/41/75/05/409417505.db2.gz JTFSYPZSKUXJOT-UHFFFAOYSA-N 0 0 193.294 2.246 10 30 AEEERN C=CCCCNC(=O)N1C[C@@H](C)[C@H]1C 655866421 409417783 /nfs/dbraw/zinc/41/77/83/409417783.db2.gz JZBNFXCLDHGIAG-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCCNC(=O)N1C[C@H](C)[C@H]1C 655866425 409417846 /nfs/dbraw/zinc/41/78/46/409417846.db2.gz JZBNFXCLDHGIAG-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCCNC(=O)N1C[C@H](C)[C@@H]1C 655866423 409418497 /nfs/dbraw/zinc/41/84/97/409418497.db2.gz JZBNFXCLDHGIAG-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCCCNC(=O)N1C[C@@H](C)[C@@H]1C 655866427 409418720 /nfs/dbraw/zinc/41/87/20/409418720.db2.gz JZBNFXCLDHGIAG-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C=C(C)CCNC(=O)N(C)C1CCC1 656155547 409422072 /nfs/dbraw/zinc/42/20/72/409422072.db2.gz HXUOWLNQHPKHNZ-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=C(CC)CNC(=O)N(C)C1CCC1 656252843 409426281 /nfs/dbraw/zinc/42/62/81/409426281.db2.gz JUDXFXRDOHBAHC-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CC[N@@H+](C)C1CC(OC(C)C)C1 656498632 409438508 /nfs/dbraw/zinc/43/85/08/409438508.db2.gz IFFVBTQOFJQBHM-UHFFFAOYSA-N 0 0 183.295 2.060 10 30 AEEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC 656537804 409439426 /nfs/dbraw/zinc/43/94/26/409439426.db2.gz OWKLVBZTWAVAJP-ZJUUUORDSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCC1(CNC(N)=O)CCCC1 656538775 409439204 /nfs/dbraw/zinc/43/92/04/409439204.db2.gz KLJWABPUPYKUTN-UHFFFAOYSA-N 0 0 196.294 2.181 10 30 AEEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC 656537801 409439367 /nfs/dbraw/zinc/43/93/67/409439367.db2.gz OWKLVBZTWAVAJP-NXEZZACHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC 656537802 409439851 /nfs/dbraw/zinc/43/98/51/409439851.db2.gz OWKLVBZTWAVAJP-UWVGGRQHSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNC(=O)N(CC)[C@@H](C)CC 656538584 409440045 /nfs/dbraw/zinc/44/00/45/409440045.db2.gz YRTFOKQKITZSDX-VIFPVBQESA-N 0 0 184.283 2.002 10 30 AEEERN Cc1ccc([C@H](C)NCC#N)cc1F 87369689 409440122 /nfs/dbraw/zinc/44/01/22/409440122.db2.gz KMORTGVMFIJGFB-VIFPVBQESA-N 0 0 192.237 2.308 10 30 AEEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NC 656537803 409440125 /nfs/dbraw/zinc/44/01/25/409440125.db2.gz OWKLVBZTWAVAJP-VHSXEESVSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNC(=O)N(CC)[C@H](C)CC 656538583 409440151 /nfs/dbraw/zinc/44/01/51/409440151.db2.gz YRTFOKQKITZSDX-SECBINFHSA-N 0 0 184.283 2.002 10 30 AEEERN Cc1ccc([C@@H](C)NCC#N)cc1F 87369686 409440235 /nfs/dbraw/zinc/44/02/35/409440235.db2.gz KMORTGVMFIJGFB-SECBINFHSA-N 0 0 192.237 2.308 10 30 AEEERN C=CCNC(=O)N[C@@H](C)C(C)(C)CC 656540721 409441511 /nfs/dbraw/zinc/44/15/11/409441511.db2.gz PUZOJNISADMJCZ-VIFPVBQESA-N 0 0 198.310 2.296 10 30 AEEERN C=CCNC(=O)N[C@H](C)C(C)(C)CC 656540720 409441783 /nfs/dbraw/zinc/44/17/83/409441783.db2.gz PUZOJNISADMJCZ-SECBINFHSA-N 0 0 198.310 2.296 10 30 AEEERN C=CCNC(=O)N[C@@](C)(CC)C1CC1 656553851 409442788 /nfs/dbraw/zinc/44/27/88/409442788.db2.gz IULTVTZWPSTQPP-NSHDSACASA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNC(=O)N[C@](C)(CC)C1CC1 656553850 409443201 /nfs/dbraw/zinc/44/32/01/409443201.db2.gz IULTVTZWPSTQPP-LLVKDONJSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCNc1ccc2c(c1)CCOC2 656665565 409445407 /nfs/dbraw/zinc/44/54/07/409445407.db2.gz HFDJUMCCAXDQPK-UHFFFAOYSA-N 0 0 189.258 2.357 10 30 AEEERN C=CCC1(NC(=O)CC)CCCC1 657188778 409458830 /nfs/dbraw/zinc/45/88/30/409458830.db2.gz GGBRDAINJKJGEV-UHFFFAOYSA-N 0 0 181.279 2.402 10 30 AEEERN N#Cc1cc(F)ccc1NCCF 131908528 409487433 /nfs/dbraw/zinc/48/74/33/409487433.db2.gz FUMDTUMLQAWDCM-UHFFFAOYSA-N 0 0 182.173 2.079 10 30 AEEERN CC(C)OC(=O)CCCCC#N 196411080 409506813 /nfs/dbraw/zinc/50/68/13/409506813.db2.gz CZFGSIHPKJTOJZ-UHFFFAOYSA-N 0 0 169.224 2.022 10 30 AEEERN CCCSc1nc(N)c(C#N)s1 196440538 409506984 /nfs/dbraw/zinc/50/69/84/409506984.db2.gz RNEFARARWYKDPQ-UHFFFAOYSA-N 0 0 199.304 2.099 10 30 AEEERN CC(=O)ONc1ccc(Cl)cc1 196925880 409507356 /nfs/dbraw/zinc/50/73/56/409507356.db2.gz JAURRRPDNDDLNF-UHFFFAOYSA-N 0 0 185.610 2.230 10 30 AEEERN C=C(C)CN(C)c1ccccc1CO 219326650 409517455 /nfs/dbraw/zinc/51/74/55/409517455.db2.gz ZKIBDSHQLHOXJX-UHFFFAOYSA-N 0 0 191.274 2.191 10 30 AEEERN C=CCNc1ccc2c(c1)COC2 300758315 409536224 /nfs/dbraw/zinc/53/62/24/409536224.db2.gz GQBWXFDKDJVXJD-UHFFFAOYSA-N 0 0 175.231 2.315 10 30 AEEERN C=C(C)CN(CC)Cc1coc(C)n1 659828967 409548266 /nfs/dbraw/zinc/54/82/66/409548266.db2.gz ISCNAYXTBNUYRQ-UHFFFAOYSA-N 0 0 194.278 2.381 10 30 AEEERN C[C@@H]1CC[C@@H]1Nc1ncccc1C#N 306261127 409551898 /nfs/dbraw/zinc/55/18/98/409551898.db2.gz WGEJFVOWFHTTIR-SCZZXKLOSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H]1CC[C@H]1Nc1ncccc1C#N 306261126 409552264 /nfs/dbraw/zinc/55/22/64/409552264.db2.gz WGEJFVOWFHTTIR-PSASIEDQSA-N 0 0 187.246 2.164 10 30 AEEERN C=CCCCN(C)Cc1coc(C)n1 659941319 409564825 /nfs/dbraw/zinc/56/48/25/409564825.db2.gz NAPJKKOIFITSRL-UHFFFAOYSA-N 0 0 194.278 2.381 10 30 AEEERN C=C1CCN(Cc2coc(C)n2)CC1 659910874 409565887 /nfs/dbraw/zinc/56/58/87/409565887.db2.gz XAGAFTUWKCIUHF-UHFFFAOYSA-N 0 0 192.262 2.135 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CC 660071448 409581985 /nfs/dbraw/zinc/58/19/85/409581985.db2.gz YXYKVQNAQIDHOQ-AOOOYVTPSA-N 0 0 179.263 2.106 10 30 AEEERN C=CCCC(C)(C)NC(=O)CC 660141382 409583867 /nfs/dbraw/zinc/58/38/67/409583867.db2.gz CKDRNGYFIVTDAS-UHFFFAOYSA-N 0 0 169.268 2.257 10 30 AEEERN C=CCN(Cc1coc(C)n1)C1CC1 660169668 409588229 /nfs/dbraw/zinc/58/82/29/409588229.db2.gz KZLGRNNVLQIHJY-UHFFFAOYSA-N 0 0 192.262 2.133 10 30 AEEERN C=C(C)CN(C)Cc1nc(C)oc1C 660220168 409589432 /nfs/dbraw/zinc/58/94/32/409589432.db2.gz HYZKLJIFMVJIBO-UHFFFAOYSA-N 0 0 194.278 2.299 10 30 AEEERN C=CCCN(C)Cc1nc(C)oc1C 660399181 409595947 /nfs/dbraw/zinc/59/59/47/409595947.db2.gz HNMPDABLPNXZFZ-UHFFFAOYSA-N 0 0 194.278 2.299 10 30 AEEERN C=CCCN1CC[C@H]1C(F)(F)F 660570307 409604724 /nfs/dbraw/zinc/60/47/24/409604724.db2.gz MPOVVBVYTFAJHW-ZETCQYMHSA-N 0 0 179.185 2.199 10 30 AEEERN C=CCCN1CC[C@@H]1C(F)(F)F 660570305 409605865 /nfs/dbraw/zinc/60/58/65/409605865.db2.gz MPOVVBVYTFAJHW-SSDOTTSWSA-N 0 0 179.185 2.199 10 30 AEEERN C=C[C@@H](C)NC(=O)NC1CC(C)(C)C1 660880999 409620020 /nfs/dbraw/zinc/62/00/20/409620020.db2.gz GCYXUKDTQCEVNG-MRVPVSSYSA-N 0 0 196.294 2.049 10 30 AEEERN C=CCCNC(=O)NCC1(C)CCC1 660809492 409620422 /nfs/dbraw/zinc/62/04/22/409620422.db2.gz CFOFKUYKLRCAKO-UHFFFAOYSA-N 0 0 196.294 2.052 10 30 AEEERN C=CCCNC(=O)NC[C@H](C)C(C)C 660862216 409620505 /nfs/dbraw/zinc/62/05/05/409620505.db2.gz PPBCLEMGWSTZEA-JTQLQIEISA-N 0 0 198.310 2.154 10 30 AEEERN C=C[C@H](C)NC(=O)NC1CC(C)(C)C1 660881000 409621531 /nfs/dbraw/zinc/62/15/31/409621531.db2.gz GCYXUKDTQCEVNG-QMMMGPOBSA-N 0 0 196.294 2.049 10 30 AEEERN C=CCCNC(=O)NC[C@@H](C)C(C)C 660862225 409622768 /nfs/dbraw/zinc/62/27/68/409622768.db2.gz PPBCLEMGWSTZEA-SNVBAGLBSA-N 0 0 198.310 2.154 10 30 AEEERN C=C(C)CNC(=O)NC1CC(C)(C)C1 661046870 409625637 /nfs/dbraw/zinc/62/56/37/409625637.db2.gz VGYYOLIAMIZBMP-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=C(C)CCNc1ncc(C)cn1 307214957 409626766 /nfs/dbraw/zinc/62/67/66/409626766.db2.gz DOQFMZVGKZTSAL-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=CCCNC(=O)N[C@H](C)C(C)(C)C 661357421 409637262 /nfs/dbraw/zinc/63/72/62/409637262.db2.gz DPUYCYXOXQHBKH-SECBINFHSA-N 0 0 198.310 2.296 10 30 AEEERN C=CCC(C)(C)CNC(=O)C1=CCC1 661333483 409638469 /nfs/dbraw/zinc/63/84/69/409638469.db2.gz IQEZTFZSXRTAOF-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCNC(=O)NC1CC(C)(C)C1 661564805 409645098 /nfs/dbraw/zinc/64/50/98/409645098.db2.gz FOVSTDOKQKAFMQ-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCNC(=O)N1CCCC1(C)C 661569475 409646843 /nfs/dbraw/zinc/64/68/43/409646843.db2.gz PTXCTAADTLMOEW-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C=CCCCN(C)C(=O)NCCC=C 661571585 409650371 /nfs/dbraw/zinc/65/03/71/409650371.db2.gz XIDSEKCKOCEBPI-UHFFFAOYSA-N 0 0 196.294 2.170 10 30 AEEERN C=CC(C)(C)CNC(=O)C1=CCC1 661745774 409657417 /nfs/dbraw/zinc/65/74/17/409657417.db2.gz PEOGXMQKIVCKPY-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCC(C)(C)C(=O)N(C)CC 308072032 409680795 /nfs/dbraw/zinc/68/07/95/409680795.db2.gz CFXIWOUOAABAKJ-UHFFFAOYSA-N 0 0 169.268 2.067 10 30 AEEERN C=C(C)CCOc1ccncc1 308086222 409684204 /nfs/dbraw/zinc/68/42/04/409684204.db2.gz OEGKIWSXUYJAQF-UHFFFAOYSA-N 0 0 163.220 2.427 10 30 AEEERN C=CCN(C)C(=O)NC1CC(C)(C)C1 662122216 409689722 /nfs/dbraw/zinc/68/97/22/409689722.db2.gz UMNXQNTXPWRELT-UHFFFAOYSA-N 0 0 196.294 2.002 10 30 AEEERN C=CCN(C)C(=O)C(C)(C)CC=C 308288244 409706153 /nfs/dbraw/zinc/70/61/53/409706153.db2.gz AUUAIZYCQUUBET-UHFFFAOYSA-N 0 0 181.279 2.233 10 30 AEEERN C=CCNC(=O)C(C)(C)C(C)(C)C 308290046 409706641 /nfs/dbraw/zinc/70/66/41/409706641.db2.gz GFLCRRNGYZLAET-UHFFFAOYSA-N 0 0 183.295 2.361 10 30 AEEERN C=CCC(C)(C)C(=O)N(C)C1CC1 308289488 409707103 /nfs/dbraw/zinc/70/71/03/409707103.db2.gz DSUCSMIVEXTKRE-UHFFFAOYSA-N 0 0 181.279 2.210 10 30 AEEERN C=CCC(C)(C)C(=O)N(C)C(C)C 308289536 409708207 /nfs/dbraw/zinc/70/82/07/409708207.db2.gz FEPRWDHMLPYKSL-UHFFFAOYSA-N 0 0 183.295 2.456 10 30 AEEERN C=CCNC(=O)CC1CC(C)(C)C1 308301510 409708293 /nfs/dbraw/zinc/70/82/93/409708293.db2.gz MEYBGPXKJKLFLG-UHFFFAOYSA-N 0 0 181.279 2.115 10 30 AEEERN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1C 308354236 409710058 /nfs/dbraw/zinc/71/00/58/409710058.db2.gz AFGYWXPQEUWCBZ-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H]1C 308354233 409710074 /nfs/dbraw/zinc/71/00/74/409710074.db2.gz AFGYWXPQEUWCBZ-IUCAKERBSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]1C 308354227 409710101 /nfs/dbraw/zinc/71/01/01/409710101.db2.gz AFGYWXPQEUWCBZ-BDAKNGLRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H]1C 308354230 409710590 /nfs/dbraw/zinc/71/05/90/409710590.db2.gz AFGYWXPQEUWCBZ-DTWKUNHWSA-N 0 0 181.279 2.113 10 30 AEEERN C=C(C)CCn1ccc(C(C)=O)n1 308420752 409720805 /nfs/dbraw/zinc/72/08/05/409720805.db2.gz SURNXVZULRWCPE-UHFFFAOYSA-N 0 0 178.235 2.052 10 30 AEEERN C=CCNC(=O)NC1(CC(C)C)CC1 663236276 409772241 /nfs/dbraw/zinc/77/22/41/409772241.db2.gz SMSYTTRUJCZFHW-UHFFFAOYSA-N 0 0 196.294 2.050 10 30 AEEERN C=CCCC(C)(C)NC(=O)NCC=C 663240872 409775194 /nfs/dbraw/zinc/77/51/94/409775194.db2.gz DJJMYZXZXQCGLI-UHFFFAOYSA-N 0 0 196.294 2.216 10 30 AEEERN C=CCCCN(C)c1ccc(C)nn1 663638801 409794380 /nfs/dbraw/zinc/79/43/80/409794380.db2.gz RSJBBGHMOVAUPX-UHFFFAOYSA-N 0 0 191.278 2.187 10 30 AEEERN C=C(CC)Cn1ncc2ncccc21 664070594 409813120 /nfs/dbraw/zinc/81/31/20/409813120.db2.gz BOZBEKDCYIIWFC-UHFFFAOYSA-N 0 0 187.246 2.398 10 30 AEEERN C=C(C)CCn1ncc2ncccc21 664071462 409813272 /nfs/dbraw/zinc/81/32/72/409813272.db2.gz UQCVQHKHUYPHBJ-UHFFFAOYSA-N 0 0 187.246 2.398 10 30 AEEERN C=CCCCCOc1ccnnc1 664069630 409813278 /nfs/dbraw/zinc/81/32/78/409813278.db2.gz VFPMFJFEENNWNP-UHFFFAOYSA-N 0 0 178.235 2.212 10 30 AEEERN C=CCCCCCn1cc(C)nn1 664083695 409814754 /nfs/dbraw/zinc/81/47/54/409814754.db2.gz AEOQCYKATKMUFF-UHFFFAOYSA-N 0 0 179.267 2.333 10 30 AEEERN C=CCCCCCn1cnc(C)n1 664083073 409815979 /nfs/dbraw/zinc/81/59/79/409815979.db2.gz GLMDTTUNVBDURB-UHFFFAOYSA-N 0 0 179.267 2.333 10 30 AEEERN C=C(C)CCOc1c(C)[nH]ccc1=O 664098507 409818223 /nfs/dbraw/zinc/81/82/23/409818223.db2.gz ITNFZCYNUOBHCR-UHFFFAOYSA-N 0 0 193.246 2.028 10 30 AEEERN C=CCCCn1nnc2c1CCCC2 664139491 409819069 /nfs/dbraw/zinc/81/90/69/409819069.db2.gz DZKFLBCCNYRAMH-UHFFFAOYSA-N 0 0 191.278 2.123 10 30 AEEERN C=C(C)CCn1cc(C2CC2)nn1 664121808 409819856 /nfs/dbraw/zinc/81/98/56/409819856.db2.gz IWLRAIFZFPVYHZ-UHFFFAOYSA-N 0 0 177.251 2.122 10 30 AEEERN C=C(C)CCn1cnc(C(C)C)n1 664108395 409820103 /nfs/dbraw/zinc/82/01/03/409820103.db2.gz ZSEOOUVSYUJDRB-UHFFFAOYSA-N 0 0 179.267 2.368 10 30 AEEERN C=C(CC)Cn1cnc(C(C)C)n1 664105949 409820277 /nfs/dbraw/zinc/82/02/77/409820277.db2.gz CZZQBCABYZNMIL-UHFFFAOYSA-N 0 0 179.267 2.368 10 30 AEEERN C=C(C)CCn1nnc2c1CCCC2 664140700 409820306 /nfs/dbraw/zinc/82/03/06/409820306.db2.gz IDBCTPRNLRIXHC-UHFFFAOYSA-N 0 0 191.278 2.123 10 30 AEEERN C=CCCNc1nccnc1CCC 664226594 409823129 /nfs/dbraw/zinc/82/31/29/409823129.db2.gz MBPPDQDPMCFWHL-UHFFFAOYSA-N 0 0 191.278 2.417 10 30 AEEERN C=CCCNc1nc(C2CCC2)no1 664226434 409823597 /nfs/dbraw/zinc/82/35/97/409823597.db2.gz JDJDCPDVWCCVTA-UHFFFAOYSA-N 0 0 193.250 2.325 10 30 AEEERN C=CCCNc1ccnc(C2CC2)n1 664229156 409823837 /nfs/dbraw/zinc/82/38/37/409823837.db2.gz XRHJRJRAZIEVKO-UHFFFAOYSA-N 0 0 189.262 2.342 10 30 AEEERN C=CCOCCCNc1ccccn1 664386725 409828444 /nfs/dbraw/zinc/82/84/44/409828444.db2.gz QRSDBMRPKAVEQF-UHFFFAOYSA-N 0 0 192.262 2.086 10 30 AEEERN C=CC[N@H+]1CC[C@@H](OCCC(C)C)C1 665031261 409833563 /nfs/dbraw/zinc/83/35/63/409833563.db2.gz DRSIWLRGQHIMHJ-GFCCVEGCSA-N 0 0 197.322 2.309 10 30 AEEERN C=CCC(C)(C)c1nc(CC)no1 379379742 409838224 /nfs/dbraw/zinc/83/82/24/409838224.db2.gz BHIZAAUXPDYTKD-UHFFFAOYSA-N 0 0 180.251 2.486 10 30 AEEERN C=CCNC(=O)[C@@H]1CCCC2(CC2)C1 665111939 409841154 /nfs/dbraw/zinc/84/11/54/409841154.db2.gz ARTLPBOQQIKWMX-SNVBAGLBSA-N 0 0 193.290 2.259 10 30 AEEERN C=CCNC(=O)[C@]1(C)CC=C(C)CC1 665112131 409841207 /nfs/dbraw/zinc/84/12/07/409841207.db2.gz DTJLGEOINPFAGU-GFCCVEGCSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCNC(=O)[C@@]1(C)CC=C(C)CC1 665112132 409841277 /nfs/dbraw/zinc/84/12/77/409841277.db2.gz DTJLGEOINPFAGU-LBPRGKRZSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCNC(=O)[C@H]1CCCC2(CC2)C1 665111938 409842123 /nfs/dbraw/zinc/84/21/23/409842123.db2.gz ARTLPBOQQIKWMX-JTQLQIEISA-N 0 0 193.290 2.259 10 30 AEEERN C=C(C)c1nc(CCO)c(C)s1 665178088 409846816 /nfs/dbraw/zinc/84/68/16/409846816.db2.gz UVASANKGRWVEOR-UHFFFAOYSA-N 0 0 183.276 2.019 10 30 AEEERN C=CCCNC(=O)c1csc(C)c1 381258515 409879574 /nfs/dbraw/zinc/87/95/74/409879574.db2.gz DDMUNDXFHQBURU-UHFFFAOYSA-N 0 0 195.287 2.362 10 30 AEEERN C=CCOCCOc1ccc(F)cc1 385404484 409927094 /nfs/dbraw/zinc/92/70/94/409927094.db2.gz DYTKMROKYLFSGX-UHFFFAOYSA-N 0 0 196.221 2.407 10 30 AEEERN C=CCOCCOc1ccccc1F 385395986 409927911 /nfs/dbraw/zinc/92/79/11/409927911.db2.gz CHEWOQIQYNPYEQ-UHFFFAOYSA-N 0 0 196.221 2.407 10 30 AEEERN C=CCOCCn1ccnc1CCC 385406136 409928724 /nfs/dbraw/zinc/92/87/24/409928724.db2.gz FIVNNWHCYBPDFJ-UHFFFAOYSA-N 0 0 194.278 2.038 10 30 AEEERN C=CCOCCSc1ccncc1 393455734 409981701 /nfs/dbraw/zinc/98/17/01/409981701.db2.gz HATGSRBJQUSVLP-UHFFFAOYSA-N 0 0 195.287 2.376 10 30 AEEERN C=CCOCCSc1ccccn1 393918227 409992821 /nfs/dbraw/zinc/99/28/21/409992821.db2.gz AJVZNFRZAPXNEV-UHFFFAOYSA-N 0 0 195.287 2.376 10 30 AEEERN C=C(C)CCNC(=O)C(C)(C)C 395250478 410006213 /nfs/dbraw/zinc/00/62/13/410006213.db2.gz BXEYGIJTSLANIK-UHFFFAOYSA-N 0 0 169.268 2.115 10 30 AEEERN C=C(C)CNc1ncc(Cl)cc1C 575496610 410071228 /nfs/dbraw/zinc/07/12/28/410071228.db2.gz PYZQFYHRORPTRW-UHFFFAOYSA-N 0 0 196.681 3.031 10 30 AEEERN COCCCC#Cc1ccccc1 584609476 410122269 /nfs/dbraw/zinc/12/22/69/410122269.db2.gz RSYDGPONQFRDNS-UHFFFAOYSA-N 0 0 174.243 2.465 10 30 AEEERN C#C[C@@](C)(O)CC[C@@H](C)C(C)C 584631230 410124286 /nfs/dbraw/zinc/12/42/86/410124286.db2.gz LOUBZBUAQWHZLW-GHMZBOCLSA-N 0 0 168.280 2.443 10 30 AEEERN C#C[C@@](C)(O)CC[C@H](C)C(C)C 584631241 410124292 /nfs/dbraw/zinc/12/42/92/410124292.db2.gz LOUBZBUAQWHZLW-WDEREUQCSA-N 0 0 168.280 2.443 10 30 AEEERN C#C[C@](C)(O)CC[C@H](C)C(C)C 584631238 410124322 /nfs/dbraw/zinc/12/43/22/410124322.db2.gz LOUBZBUAQWHZLW-QWRGUYRKSA-N 0 0 168.280 2.443 10 30 AEEERN C#C[C@](C)(O)CC[C@@H](C)C(C)C 584631232 410124356 /nfs/dbraw/zinc/12/43/56/410124356.db2.gz LOUBZBUAQWHZLW-MNOVXSKESA-N 0 0 168.280 2.443 10 30 AEEERN C#CCN(C)c1cccc(Cl)c1 584631338 410124368 /nfs/dbraw/zinc/12/43/68/410124368.db2.gz MAPKJTHUVKHYBX-UHFFFAOYSA-N 0 0 179.650 2.409 10 30 AEEERN C=CCc1cc(OC)ccc1NC#N 584646765 410125129 /nfs/dbraw/zinc/12/51/29/410125129.db2.gz ADQLLTUELHMJBU-UHFFFAOYSA-N 0 0 188.230 2.317 10 30 AEEERN CO[C@H]1CCC[C@@H]1SCCC#N 591133810 410127518 /nfs/dbraw/zinc/12/75/18/410127518.db2.gz ZJAHAHZGWGVPPR-IUCAKERBSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@@H]1CCC[C@H]1SCCC#N 591133811 410127533 /nfs/dbraw/zinc/12/75/33/410127533.db2.gz ZJAHAHZGWGVPPR-RKDXNWHRSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@@H]1CCC[C@@H]1SCCC#N 591133808 410127559 /nfs/dbraw/zinc/12/75/59/410127559.db2.gz ZJAHAHZGWGVPPR-BDAKNGLRSA-N 0 0 185.292 2.201 10 30 AEEERN CO[C@H]1CCC[C@H]1SCCC#N 591133809 410127622 /nfs/dbraw/zinc/12/76/22/410127622.db2.gz ZJAHAHZGWGVPPR-DTWKUNHWSA-N 0 0 185.292 2.201 10 30 AEEERN Cc1nc(C#N)n(CCCCF)c1C 603349171 410135135 /nfs/dbraw/zinc/13/51/35/410135135.db2.gz SMFOLNWRUFFWSR-UHFFFAOYSA-N 0 0 195.241 2.121 10 30 AEEERN C=CCCC(=O)Nc1cc(CC)on1 606890031 410136444 /nfs/dbraw/zinc/13/64/44/410136444.db2.gz OOOSKPJCPHOANV-UHFFFAOYSA-N 0 0 194.234 2.142 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC 648945514 410168838 /nfs/dbraw/zinc/16/88/38/410168838.db2.gz PVGGDBULOLHPDU-OPRDCNLKSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC 648945513 410169043 /nfs/dbraw/zinc/16/90/43/410169043.db2.gz PVGGDBULOLHPDU-IVZWLZJFSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCCN(C)C(=O)[C@@H]1C[C@H]1CC 648952907 410169965 /nfs/dbraw/zinc/16/99/65/410169965.db2.gz UUUCZHLVIQXOKC-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(C(=O)[C@@H]1C[C@H]1CC)C1CC1 649301447 410187710 /nfs/dbraw/zinc/18/77/10/410187710.db2.gz VHWJMMOIEVUTOJ-MWLCHTKSSA-N 0 0 193.290 2.210 10 30 AEEERN C=C(C)CN(C)c1nnc(C(C)C)o1 649319804 410187836 /nfs/dbraw/zinc/18/78/36/410187836.db2.gz CPLRDABNMSZORJ-UHFFFAOYSA-N 0 0 195.266 2.205 10 30 AEEERN CC#CCCNC(=O)CCCC(C)C 649340920 410189700 /nfs/dbraw/zinc/18/97/00/410189700.db2.gz XLJPQEXCXKYZDF-UHFFFAOYSA-N 0 0 195.306 2.342 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@H]1C[C@H]1CC 649337624 410189742 /nfs/dbraw/zinc/18/97/42/410189742.db2.gz VPIQBENUNWXJOO-NXEZZACHSA-N 0 0 181.279 2.067 10 30 AEEERN C=CC(C)(C)C(=O)N(C)CC(=C)C 649337608 410190189 /nfs/dbraw/zinc/19/01/89/410190189.db2.gz FOSSFYBGXUJUQE-UHFFFAOYSA-N 0 0 181.279 2.233 10 30 AEEERN C=CCCN(C)c1nnc(C(C)C)o1 649340558 410191580 /nfs/dbraw/zinc/19/15/80/410191580.db2.gz IDFDGAUVUWBFJJ-UHFFFAOYSA-N 0 0 195.266 2.205 10 30 AEEERN C=CCCCCSc1nncn1C 649397244 410192066 /nfs/dbraw/zinc/19/20/66/410192066.db2.gz FAXYMFSGDDIJBI-UHFFFAOYSA-N 0 0 197.307 2.264 10 30 AEEERN C=C(C)CN(C)[C@H](C)c1csnn1 649416284 410195350 /nfs/dbraw/zinc/19/53/50/410195350.db2.gz CILMWEUEEKDDAJ-MRVPVSSYSA-N 0 0 197.307 2.107 10 30 AEEERN C=C(C)CN(C)[C@@H](C)c1csnn1 649416285 410197451 /nfs/dbraw/zinc/19/74/51/410197451.db2.gz CILMWEUEEKDDAJ-QMMMGPOBSA-N 0 0 197.307 2.107 10 30 AEEERN C=C(C)c1ccc(OCCOC)nc1 649444112 410201235 /nfs/dbraw/zinc/20/12/35/410201235.db2.gz CBFZGEAEQJLEAZ-UHFFFAOYSA-N 0 0 193.246 2.140 10 30 AEEERN C=C(C)c1ccc2c(c1)C[C@H](CO)O2 649444335 410201753 /nfs/dbraw/zinc/20/17/53/410201753.db2.gz OYRZEKHHXDNOJX-LLVKDONJSA-N 0 0 190.242 2.016 10 30 AEEERN C=C(C)c1ccc2c(c1)C[C@@H](CO)O2 649444336 410201797 /nfs/dbraw/zinc/20/17/97/410201797.db2.gz OYRZEKHHXDNOJX-NSHDSACASA-N 0 0 190.242 2.016 10 30 AEEERN C=C(C)c1cnc2c(c1)CCO2 649444124 410201882 /nfs/dbraw/zinc/20/18/82/410201882.db2.gz COFKXYCIIMAICW-UHFFFAOYSA-N 0 0 161.204 2.050 10 30 AEEERN C=C(C)c1cc(OC)ns1 649444123 410202007 /nfs/dbraw/zinc/20/20/07/410202007.db2.gz CLYSFBWEFSUHEH-UHFFFAOYSA-N 0 0 155.222 2.185 10 30 AEEERN C=CCN(C)C(=O)C(C)(C)C1CCC1 649456705 410205347 /nfs/dbraw/zinc/20/53/47/410205347.db2.gz BMABENHUENQADA-UHFFFAOYSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@@H]1CC 649456696 410203367 /nfs/dbraw/zinc/20/33/67/410203367.db2.gz APCFPOJOFXGPRV-WDEREUQCSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(C)C(=O)[C@@H]1CCC[C@H]1CC 649456693 410204073 /nfs/dbraw/zinc/20/40/73/410204073.db2.gz APCFPOJOFXGPRV-GHMZBOCLSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCCn1nc(C)nc1C 649465583 410204425 /nfs/dbraw/zinc/20/44/25/410204425.db2.gz ALBQXQBTKFBXCC-UHFFFAOYSA-N 0 0 179.267 2.251 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC[C@H]1CC 649456694 410204550 /nfs/dbraw/zinc/20/45/50/410204550.db2.gz APCFPOJOFXGPRV-MNOVXSKESA-N 0 0 195.306 2.457 10 30 AEEERN C=CCN(C)C(=O)CCCC(C)C 649456716 410204618 /nfs/dbraw/zinc/20/46/18/410204618.db2.gz FVJMGFMFTYDKCY-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCn1cc(C(F)(F)F)c(C)n1 649446928 410204866 /nfs/dbraw/zinc/20/48/66/410204866.db2.gz JLRNCUWZISWNLG-UHFFFAOYSA-N 0 0 190.168 2.396 10 30 AEEERN C=CCN(C)C(=O)[C@H]1CCC[C@@H]1CC 649456695 410204879 /nfs/dbraw/zinc/20/48/79/410204879.db2.gz APCFPOJOFXGPRV-QWRGUYRKSA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCCN(C)c1ccn(C)n1 649451792 410204924 /nfs/dbraw/zinc/20/49/24/410204924.db2.gz HEYGJGZHZBZING-UHFFFAOYSA-N 0 0 193.294 2.213 10 30 AEEERN C=C(C)[C@H](CO)Sc1ccncc1 649504605 410210106 /nfs/dbraw/zinc/21/01/06/410210106.db2.gz UBPDFJXMCWNLMG-JTQLQIEISA-N 0 0 195.287 2.111 10 30 AEEERN C=C(C)[C@@H](CO)Sc1ccncc1 649504606 410210331 /nfs/dbraw/zinc/21/03/31/410210331.db2.gz UBPDFJXMCWNLMG-SNVBAGLBSA-N 0 0 195.287 2.111 10 30 AEEERN C=CCCN(C)C(=O)[C@@H]1C[C@H]1CC 649644336 410217625 /nfs/dbraw/zinc/21/76/25/410217625.db2.gz GHGIUAHNHVNESG-NXEZZACHSA-N 0 0 181.279 2.067 10 30 AEEERN CC#CCCN1CCCC(F)(F)C1 649695055 410225184 /nfs/dbraw/zinc/22/51/84/410225184.db2.gz FTWLSXNNCUXHDK-UHFFFAOYSA-N 0 0 187.233 2.131 10 30 AEEERN C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 649810219 410237205 /nfs/dbraw/zinc/23/72/05/410237205.db2.gz NQFYKQRPLBWZOI-MYJAWHEDSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC(C)(C)C(=O)N[C@H]1[C@H]2CCC[C@H]21 649810218 410237302 /nfs/dbraw/zinc/23/73/02/410237302.db2.gz NQFYKQRPLBWZOI-ILWJIGKKSA-N 0 0 193.290 2.113 10 30 AEEERN C=CCCCNC(=O)[C@@H]1C[C@H]1CC 649841356 410240043 /nfs/dbraw/zinc/24/00/43/410240043.db2.gz KWGVBXBHPWQWBS-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C=CC(C)(C)C(=O)N[C@@H]1C[C@H]1C1CC1 649907803 410247249 /nfs/dbraw/zinc/24/72/49/410247249.db2.gz RMBFEOGUENZKEO-VHSXEESVSA-N 0 0 193.290 2.113 10 30 AEEERN C=CC(C)(C)C(=O)NCCCCF 650202055 410259508 /nfs/dbraw/zinc/25/95/08/410259508.db2.gz GZPZGNWAIQVFOW-UHFFFAOYSA-N 0 0 187.258 2.065 10 30 AEEERN C=CC(C)(C)C(=O)N1CC(C2CC2)C1 650203343 410260759 /nfs/dbraw/zinc/26/07/59/410260759.db2.gz CNIJLTFTRQIHGE-UHFFFAOYSA-N 0 0 193.290 2.067 10 30 AEEERN C=C(C)CCOCc1n[nH]cc1C 650345354 410266613 /nfs/dbraw/zinc/26/66/13/410266613.db2.gz CCLAHIGAVMHILH-UHFFFAOYSA-N 0 0 180.251 2.201 10 30 AEEERN C=C(C)Cn1cc(C2CC2)cn1 650344477 410267126 /nfs/dbraw/zinc/26/71/26/410267126.db2.gz KFQZEYPNSIYHEX-UHFFFAOYSA-N 0 0 162.236 2.337 10 30 AEEERN C=CCCCOCc1n[nH]cc1C 650346374 410267149 /nfs/dbraw/zinc/26/71/49/410267149.db2.gz DREHEFIOAVNTGJ-UHFFFAOYSA-N 0 0 180.251 2.201 10 30 AEEERN C=CCCn1cc(C2CC2)cn1 650343770 410267587 /nfs/dbraw/zinc/26/75/87/410267587.db2.gz FMNWWARYMXVXRM-UHFFFAOYSA-N 0 0 162.236 2.337 10 30 AEEERN CC#CCCn1cc(C2CC2)cn1 650344357 410267544 /nfs/dbraw/zinc/26/75/44/410267544.db2.gz ICASEIPPBGBDME-UHFFFAOYSA-N 0 0 174.247 2.174 10 30 AEEERN C=C(CC)COCc1n[nH]cc1C 650345987 410267626 /nfs/dbraw/zinc/26/76/26/410267626.db2.gz LGTPTRBJVJWQAV-UHFFFAOYSA-N 0 0 180.251 2.201 10 30 AEEERN C=CC(C)(C)C(=O)NCC[C@H](C)F 650381506 410270458 /nfs/dbraw/zinc/27/04/58/410270458.db2.gz TYSGPFRLEZJZDC-QMMMGPOBSA-N 0 0 187.258 2.063 10 30 AEEERN CC#CCN(C)C(=O)CCCC(C)C 650394986 410270139 /nfs/dbraw/zinc/27/01/39/410270139.db2.gz OMJQCOJANIXHMQ-UHFFFAOYSA-N 0 0 195.306 2.294 10 30 AEEERN C=CC(C)(C)C(=O)NCC[C@@H](C)F 650381505 410270271 /nfs/dbraw/zinc/27/02/71/410270271.db2.gz TYSGPFRLEZJZDC-MRVPVSSYSA-N 0 0 187.258 2.063 10 30 AEEERN C=CCCC(=O)NC1(CC)CC1 650676656 410272868 /nfs/dbraw/zinc/27/28/68/410272868.db2.gz ATFQYFQTRWXDCW-UHFFFAOYSA-N 0 0 167.252 2.011 10 30 AEEERN CC#CCCCC(=O)N[C@@H](C)C1CC1 650770611 410281017 /nfs/dbraw/zinc/28/10/17/410281017.db2.gz DARDZJMQBRFVHQ-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN C=C(C)CCNC(=O)C1(CCF)CC1 650928161 410288478 /nfs/dbraw/zinc/28/84/78/410288478.db2.gz XOGJHRDJCHAUDA-UHFFFAOYSA-N 0 0 199.269 2.209 10 30 AEEERN C=C(C)CCNC(=O)[C@@H]1C[C@H]1CC 650928018 410288691 /nfs/dbraw/zinc/28/86/91/410288691.db2.gz FMVVRVFUFUGURX-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN C=C(C)CCNC(=O)[C@@H]1C[C@H]1C(C)C 650928201 410288876 /nfs/dbraw/zinc/28/88/76/410288876.db2.gz LCFUFXBIPBGWJM-WDEREUQCSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(C)CCNC(=O)CCC(F)F 650928176 410289235 /nfs/dbraw/zinc/28/92/35/410289235.db2.gz FNDJQDXFRSMKGB-UHFFFAOYSA-N 0 0 191.221 2.114 10 30 AEEERN C=C(C)CCNC(=O)[C@H]1C[C@H]1C(C)C 650928200 410289854 /nfs/dbraw/zinc/28/98/54/410289854.db2.gz LCFUFXBIPBGWJM-QWRGUYRKSA-N 0 0 195.306 2.361 10 30 AEEERN C=C(C)CCNC(=O)[C@H]1C[C@@H]1C(C)C 650928199 410289864 /nfs/dbraw/zinc/28/98/64/410289864.db2.gz LCFUFXBIPBGWJM-MNOVXSKESA-N 0 0 195.306 2.361 10 30 AEEERN C=C(C)CCNC(=O)[C@@H]1C[C@@H]1C(C)C 650928198 410289875 /nfs/dbraw/zinc/28/98/75/410289875.db2.gz LCFUFXBIPBGWJM-GHMZBOCLSA-N 0 0 195.306 2.361 10 30 AEEERN C#CCC1(NCC(F)(F)F)CCC1 933304035 629849434 /nfs/dbraw/zinc/84/94/34/629849434.db2.gz XSUOIVJYLVWERE-UHFFFAOYSA-N 0 0 191.196 2.084 10 30 AEEERN CCCCCC[C@@H](C=O)[C@@H](C)O 238204037 572004226 /nfs/dbraw/zinc/00/42/26/572004226.db2.gz MEWWQXRWMBBJAW-ZJUUUORDSA-N 0 0 172.268 2.153 10 30 AEEERN CCCCC[C@@H](C)NCC#N 34333811 572004240 /nfs/dbraw/zinc/00/42/40/572004240.db2.gz OPOKOMZAOJEEBD-SECBINFHSA-N 0 0 154.257 2.068 10 30 AEEERN C=C(C)C(=O)CCOCCCC 687697378 572004247 /nfs/dbraw/zinc/00/42/47/572004247.db2.gz HSCZPMLGRQEROM-UHFFFAOYSA-N 0 0 170.252 2.338 10 30 AEEERN C[C@H](NN=C1CC[C@@H](C)C1)C(F)F 393455725 572016576 /nfs/dbraw/zinc/01/65/76/572016576.db2.gz HAKOLBCVWSKUON-RQJHMYQMSA-N 0 0 190.237 2.406 10 30 AEEERN C[C@H](C#N)CN[C@@H](C)c1ccco1 35206981 572016670 /nfs/dbraw/zinc/01/66/70/572016670.db2.gz HIRHJLYFDFINQF-BDAKNGLRSA-N 0 0 178.235 2.090 10 30 AEEERN CCN[C@@]1(C#N)CCC[C@@H](C)[C@@H]1C 82860157 572156184 /nfs/dbraw/zinc/15/61/84/572156184.db2.gz PPMPFGQUZDCRAS-OUAUKWLOSA-N 0 0 180.295 2.314 10 30 AEEERN C=CCN[C@@]1(C#N)CCC[C@@H](C)[C@H]1C 82860384 572156135 /nfs/dbraw/zinc/15/61/35/572156135.db2.gz QNEZJCIEJWGKIV-IJLUTSLNSA-N 0 0 192.306 2.480 10 30 AEEERN CC(C)C[C@H](C)[C@H](C#N)NC1CC1 300988780 572223949 /nfs/dbraw/zinc/22/39/49/572223949.db2.gz VEWKVXIMGGGDPA-ONGXEEELSA-N 0 0 180.295 2.313 10 30 AEEERN C=C(COC)[C@]1(O)CCC[C@H](C)C1 307454530 572528771 /nfs/dbraw/zinc/52/87/71/572528771.db2.gz WLWAMBMQVOOAOW-ONGXEEELSA-N 0 0 184.279 2.130 10 30 AEEERN C[C@H]1CCC2=C1CCCC2=O 196644088 572619930 /nfs/dbraw/zinc/61/99/30/572619930.db2.gz VZPIFEFIPUCWEE-ZETCQYMHSA-N 0 0 150.221 2.466 10 30 AEEERN C#CC(C)(C)C#C/C=C/Cl 307653895 572678250 /nfs/dbraw/zinc/67/82/50/572678250.db2.gz VDNMSTFJZCCSQZ-SOFGYWHQSA-N 0 0 152.624 2.402 10 30 AEEERN C=CCCCO[C@H](C#N)CC 85867223 572830469 /nfs/dbraw/zinc/83/04/69/572830469.db2.gz IQHKTGULGMJLGY-VIFPVBQESA-N 0 0 153.225 2.271 10 30 AEEERN N#Cc1ccc2c3c(cccc13)C[C@H]2O 75597812 572878956 /nfs/dbraw/zinc/87/89/56/572878956.db2.gz ZUBXNDRCAGQZFO-GFCCVEGCSA-N 0 0 195.221 2.301 10 30 AEEERN CCO/C=N/c1snc(C)c1C#N 75598043 572878983 /nfs/dbraw/zinc/87/89/83/572878983.db2.gz JUPIUYXWMHBVBS-BJMVGYQFSA-N 0 0 195.247 2.020 10 30 AEEERN CO/N=C/C1CCCCC1 113321794 572996351 /nfs/dbraw/zinc/99/63/51/572996351.db2.gz JYBHHKCJMAOBNO-VQHVLOKHSA-N 0 0 141.214 2.199 10 30 AEEERN CC=C=CC1(C=O)CCCC1 238241274 572996376 /nfs/dbraw/zinc/99/63/76/572996376.db2.gz BUHYRNJOOJHOJH-UHFFFAOYSA-N 0 0 150.221 2.477 10 30 AEEERN CCC1=CC[C@H]2C(=O)C=C(O)[C@@H]2C1 238241066 572996401 /nfs/dbraw/zinc/99/64/01/572996401.db2.gz FZAAAVDYJNLASN-RKDXNWHRSA-N 0 0 178.231 2.374 10 30 AEEERN CCCC[C@H]1CC(=O)C(C)=CO1 238241488 572996413 /nfs/dbraw/zinc/99/64/13/572996413.db2.gz VPRZKUWWEMOJSN-VIFPVBQESA-N 0 0 168.236 2.438 10 30 AEEERN CCCCC/C=C/C[C@H](O)[C@H]1CO1 308207926 572946416 /nfs/dbraw/zinc/94/64/16/572946416.db2.gz JFZYKJBITIRUOK-FQLSZKSXSA-N 0 0 184.279 2.273 10 30 AEEERN CC(C)=CC(=O)CCOC(C)C 238187471 572975696 /nfs/dbraw/zinc/97/56/96/572975696.db2.gz MFVQOWFQCWRAAX-UHFFFAOYSA-N 0 0 170.252 2.337 10 30 AEEERN C#C[C@H](CCC)[C@@H](O)C(C)C 238242040 572996209 /nfs/dbraw/zinc/99/62/09/572996209.db2.gz PZBWVXXMKZVLJD-ZJUUUORDSA-N 0 0 154.253 2.053 10 30 AEEERN C=C[C@@H](C)OC(=O)C1CC(F)(F)C1 308257244 573100811 /nfs/dbraw/zinc/10/08/11/573100811.db2.gz LIVHKUKOCPCCGT-ZCFIWIBFSA-N 0 0 190.189 2.149 10 30 AEEERN CC1(C)C[C@H]2C(=O)CCC[C@]21C#N 238240780 572996604 /nfs/dbraw/zinc/99/66/04/572996604.db2.gz HRSXFPPXZQJZTP-KWQFWETISA-N 0 0 177.247 2.295 10 30 AEEERN CC(C)Cc1nc(CC=O)cs1 258217881 573011525 /nfs/dbraw/zinc/01/15/25/573011525.db2.gz UUQUWIOVUJWAGE-UHFFFAOYSA-N 0 0 183.276 2.083 10 30 AEEERN CC[C@H](C)OC[C@@]1(C#N)CCCOC1 308474552 573011535 /nfs/dbraw/zinc/01/15/35/573011535.db2.gz JZNFMVXWQAYXRE-WDEREUQCSA-N 0 0 197.278 2.122 10 30 AEEERN C=CCCCC(=O)NC[C@H]1C[C@H]1C 308221653 573011663 /nfs/dbraw/zinc/01/16/63/573011663.db2.gz CLARRZZOJGOTLC-NXEZZACHSA-N 0 0 181.279 2.115 10 30 AEEERN CSc1cc(CC#N)ccc1N 259308850 573011670 /nfs/dbraw/zinc/01/16/70/573011670.db2.gz VTGSTLVNQLJLEW-UHFFFAOYSA-N 0 0 178.260 2.057 10 30 AEEERN CCC1=CC(=O)[C@@H](C)[C@@H](CC)O1 238274898 573059892 /nfs/dbraw/zinc/05/98/92/573059892.db2.gz IXSKYIGTJIUVLV-GMSGAONNSA-N 0 0 168.236 2.294 10 30 AEEERN CC(C)[C@@H](C)OC(=O)C(C)(C)C#N 308252805 573084224 /nfs/dbraw/zinc/08/42/24/573084224.db2.gz IROHJXOMBJQAAH-MRVPVSSYSA-N 0 0 183.251 2.124 10 30 AEEERN CC(F)(F)[C@H](C#N)C1CC1 258477433 573085629 /nfs/dbraw/zinc/08/56/29/573085629.db2.gz IVMIOBSXPPJYQH-ZCFIWIBFSA-N 0 0 145.152 2.191 10 30 AEEERN CN[C@H](C#N)c1coc2ccccc12 259330524 573100640 /nfs/dbraw/zinc/10/06/40/573100640.db2.gz JYMBCCWFSKFXSW-SNVBAGLBSA-N 0 0 186.214 2.217 10 30 AEEERN CC(=O)[C@@H](C#N)c1ccc(F)cc1F 82737746 573166573 /nfs/dbraw/zinc/16/65/73/573166573.db2.gz PBZTWPWMQQLXME-SECBINFHSA-N 0 0 195.168 2.161 10 30 AEEERN C#C[C@@H](C)[C@]1(C)C=CC(C)=CC1=O 141973703 573111306 /nfs/dbraw/zinc/11/13/06/573111306.db2.gz OUPCMKPMOBSETN-PWSUYJOCSA-N 0 0 174.243 2.347 10 30 AEEERN Cc1ccsc1[C@@H](O)CS 259329402 573111315 /nfs/dbraw/zinc/11/13/15/573111315.db2.gz URIUCKAJMUIBJC-LURJTMIESA-N 0 0 174.290 2.020 10 30 AEEERN C#CCCCC(=O)OC1CC(C)C1 308263002 573111349 /nfs/dbraw/zinc/11/13/49/573111349.db2.gz OFQLRTJRMGJBJK-UHFFFAOYSA-N 0 0 180.247 2.132 10 30 AEEERN CC[C@@H]1C(C)=CC(=O)[C@H]1C 238286696 573113856 /nfs/dbraw/zinc/11/38/56/573113856.db2.gz IKZRELFVAGWLNZ-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CCc1ccc(OC)cc1C#N 238286371 573113869 /nfs/dbraw/zinc/11/38/69/573113869.db2.gz YRYUAORPRSUYGF-UHFFFAOYSA-N 0 0 161.204 2.129 10 30 AEEERN CCO[C@H]1C[C@@H]1C#C/C=C/Cl 238296783 573166622 /nfs/dbraw/zinc/16/66/22/573166622.db2.gz DKBGCITUNFMURY-AIZLHNLISA-N 0 0 170.639 2.167 10 30 AEEERN C=CCc1noc([C@@H](C)C2CC2)n1 308287819 573151182 /nfs/dbraw/zinc/15/11/82/573151182.db2.gz ZVODTUSLQHKXLX-ZETCQYMHSA-N 0 0 178.235 2.312 10 30 AEEERN CCC[C@@](O)(CC=O)c1ccccc1 159353521 573166654 /nfs/dbraw/zinc/16/66/54/573166654.db2.gz UXUSQCCURHCGSB-GFCCVEGCSA-N 0 0 192.258 2.263 10 30 AEEERN CCCCCCC[C@@H]1C(=O)C=C[C@H]1O 77904150 573166760 /nfs/dbraw/zinc/16/67/60/573166760.db2.gz JOJDSFWDKMJLIB-WDEREUQCSA-N 0 0 196.290 2.463 10 30 AEEERN C=CCCCC(=O)N[C@@H]1CC1(C)C 308290074 573166792 /nfs/dbraw/zinc/16/67/92/573166792.db2.gz GMZYTPXKNUBFPB-SECBINFHSA-N 0 0 181.279 2.257 10 30 AEEERN N#Cc1cc(F)c2scc(N)c2c1 306555965 573166829 /nfs/dbraw/zinc/16/68/29/573166829.db2.gz FPFBCIYVVXUNMW-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC(C)c1ccc(C(=O)[C@H]2CO2)cc1 259354834 573166853 /nfs/dbraw/zinc/16/68/53/573166853.db2.gz WDAGOBFDKORWKN-LLVKDONJSA-N 0 0 190.242 2.392 10 30 AEEERN N#C[C@H]1CCCC[C@H]1Nn1cccc1 85830410 573166860 /nfs/dbraw/zinc/16/68/60/573166860.db2.gz ZLJKJJGGTMXQHG-GHMZBOCLSA-N 0 0 189.262 2.114 10 30 AEEERN CC(=O)Cc1cccc(C#N)c1Cl 306558391 573168177 /nfs/dbraw/zinc/16/81/77/573168177.db2.gz KESKZEKHYQQGJW-UHFFFAOYSA-N 0 0 193.633 2.343 10 30 AEEERN N#CC1([C@@H](N)c2cccs2)CC1 259352725 573168193 /nfs/dbraw/zinc/16/81/93/573168193.db2.gz JWUYMXJATPLLMT-QMMMGPOBSA-N 0 0 178.260 2.052 10 30 AEEERN C[C@H]1CCCC[C@]1(O)C(C)(C)C#N 85880233 573183530 /nfs/dbraw/zinc/18/35/30/573183530.db2.gz GRYSEHCZIOOPQW-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN C=CC[C@H]1CCC[C@H]1NC(=O)CC 308296323 573183531 /nfs/dbraw/zinc/18/35/31/573183531.db2.gz KCGRUWLDEFZFRT-VHSXEESVSA-N 0 0 181.279 2.257 10 30 AEEERN C=CC[C@@H](C)SC 142155667 573183549 /nfs/dbraw/zinc/18/35/49/573183549.db2.gz CPYMDTFICZELKZ-ZCFIWIBFSA-N 0 0 116.229 2.314 10 30 AEEERN CC(C)[C@@](C)(O)C1(C#N)CCCC1 85881621 573183564 /nfs/dbraw/zinc/18/35/64/573183564.db2.gz TVAPHBAWRQCYHZ-SNVBAGLBSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H]1CCC[C@@](O)(C(C)(C)C#N)C1 85879905 573183576 /nfs/dbraw/zinc/18/35/76/573183576.db2.gz MRAYXHLIGOYWHD-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN C=CC[C@H]1CCC[C@@H]1NC(=O)CC 308296321 573183585 /nfs/dbraw/zinc/18/35/85/573183585.db2.gz KCGRUWLDEFZFRT-UWVGGRQHSA-N 0 0 181.279 2.257 10 30 AEEERN CC[C@H](C#N)[C@](C)(O)c1ccccc1 85880637 573183587 /nfs/dbraw/zinc/18/35/87/573183587.db2.gz MRCLYKOXSQQNMT-PWSUYJOCSA-N 0 0 189.258 2.444 10 30 AEEERN C1=C[C@H]2CC(=NOCC3CC3)[C@H]2C1 308295739 573183591 /nfs/dbraw/zinc/18/35/91/573183591.db2.gz UUYJKCMMGPUHSL-UWVGGRQHSA-N 0 0 177.247 2.365 10 30 AEEERN CC1CCC([C@H](O)CC#N)CC1 85879596 573183627 /nfs/dbraw/zinc/18/36/27/573183627.db2.gz UDSCUJVKFDOBRT-UDNWOFFPSA-N 0 0 167.252 2.087 10 30 AEEERN C1=C[C@H]2CC(=NOCC3CC3)[C@@H]2C1 308295745 573183675 /nfs/dbraw/zinc/18/36/75/573183675.db2.gz UUYJKCMMGPUHSL-VHSXEESVSA-N 0 0 177.247 2.365 10 30 AEEERN CC[C@](C)(C#N)[C@](C)(O)C(C)C 85881597 573183729 /nfs/dbraw/zinc/18/37/29/573183729.db2.gz UWGFMCWHSMLYGJ-NXEZZACHSA-N 0 0 169.268 2.333 10 30 AEEERN C[C@@H]1CC[C@@](C#N)([C@](C)(O)C2CC2)C1 85881793 573183744 /nfs/dbraw/zinc/18/37/44/573183744.db2.gz JHKCAOYZRXGSEP-YUSALJHKSA-N 0 0 193.290 2.477 10 30 AEEERN C[C@@H](C#N)C1(O)CCCCCC1 85880466 573183762 /nfs/dbraw/zinc/18/37/62/573183762.db2.gz SRVCSIDSVDECHA-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN CC[C@](O)(C(C)C)C1(C#N)CCC1 85882308 573183796 /nfs/dbraw/zinc/18/37/96/573183796.db2.gz YUKYXEKWVQGEIT-NSHDSACASA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(O)[C@](C)(C#N)CC 85881392 573183845 /nfs/dbraw/zinc/18/38/45/573183845.db2.gz FORCRSQZJXISSI-IUCAKERBSA-N 0 0 155.241 2.087 10 30 AEEERN CSc1cccc([C@@H](N)CC#N)c1 104685190 573183846 /nfs/dbraw/zinc/18/38/46/573183846.db2.gz ODXYZSXEYJYMPV-JTQLQIEISA-N 0 0 192.287 2.322 10 30 AEEERN CC[C@](C)(O)[C@@](C)(C#N)CC 85881398 573183858 /nfs/dbraw/zinc/18/38/58/573183858.db2.gz FORCRSQZJXISSI-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN CC[C@H](C#N)C(O)(CC)CC 85881550 573183865 /nfs/dbraw/zinc/18/38/65/573183865.db2.gz TXVGNDZAIMDSAO-MRVPVSSYSA-N 0 0 155.241 2.087 10 30 AEEERN O=CC[C@H]1Cc2ccc(F)cc2C1 257960964 573183867 /nfs/dbraw/zinc/18/38/67/573183867.db2.gz XJJQNEBFKMBVHQ-QMMMGPOBSA-N 0 0 178.206 2.130 10 30 AEEERN C[C@](O)(C1CC1)C1(C#N)CCCC1 85881764 573183911 /nfs/dbraw/zinc/18/39/11/573183911.db2.gz KRZGSQQARNRNCJ-JTQLQIEISA-N 0 0 179.263 2.231 10 30 AEEERN O=CC(F)(F)C[C@@H]1CCCS1 257962135 573183952 /nfs/dbraw/zinc/18/39/52/573183952.db2.gz XLPZRCXXTQAKHB-LURJTMIESA-N 0 0 180.219 2.106 10 30 AEEERN CC[C@@H](C#N)[C@](C)(O)c1ccccc1 85880632 573183956 /nfs/dbraw/zinc/18/39/56/573183956.db2.gz MRCLYKOXSQQNMT-JQWIXIFHSA-N 0 0 189.258 2.444 10 30 AEEERN C=C[C@H](C)[C@H](C=C)C(=S)NC 238304111 573183985 /nfs/dbraw/zinc/18/39/85/573183985.db2.gz LMRZOGXTWMCYOL-YUMQZZPRSA-N 0 0 169.293 2.158 10 30 AEEERN CC[C@H](C#N)Cc1ccncc1 259356700 573184033 /nfs/dbraw/zinc/18/40/33/573184033.db2.gz MESVJFZNSFBHQV-VIFPVBQESA-N 0 0 160.220 2.174 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)(C(C)(C)O)C1 85881253 573184045 /nfs/dbraw/zinc/18/40/45/573184045.db2.gz FUKRRTWJIMLWFQ-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C#N)[C@](C)(O)Cc1ccccc1 85882937 573184056 /nfs/dbraw/zinc/18/40/56/573184056.db2.gz CUHBMPCRODZCFL-ZYHUDNBSSA-N 0 0 189.258 2.140 10 30 AEEERN CC[C@H](C#N)C1(O)CCC(C)CC1 85880094 573184074 /nfs/dbraw/zinc/18/40/74/573184074.db2.gz YYNFCQVPSGOGIG-HSOILSAZSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C=O)Cc1ccc(F)cc1F 82762889 573184077 /nfs/dbraw/zinc/18/40/77/573184077.db2.gz DRMIWORBESMFIV-ZETCQYMHSA-N 0 0 184.185 2.342 10 30 AEEERN CC[C@](C)(C#N)[C@](C)(O)C1CC1 85881733 573184104 /nfs/dbraw/zinc/18/41/04/573184104.db2.gz LDYOGPLMJSRUBL-NXEZZACHSA-N 0 0 167.252 2.087 10 30 AEEERN C1=C[C@@H]2CC(=NOCC3CC3)[C@H]2C1 308295751 573184174 /nfs/dbraw/zinc/18/41/74/573184174.db2.gz UUYJKCMMGPUHSL-ZJUUUORDSA-N 0 0 177.247 2.365 10 30 AEEERN CC[C@@H](C#N)C(O)(CC)CC 85881547 573184386 /nfs/dbraw/zinc/18/43/86/573184386.db2.gz TXVGNDZAIMDSAO-QMMMGPOBSA-N 0 0 155.241 2.087 10 30 AEEERN C=C[C@@](O)(/C=C/Cl)CC 238304165 573184387 /nfs/dbraw/zinc/18/43/87/573184387.db2.gz HSGZLOKTTHRVGY-XPPMVYLVSA-N 0 0 146.617 2.066 10 30 AEEERN CC1CCC(O)(C(C)(C)C#N)CC1 85880073 573184397 /nfs/dbraw/zinc/18/43/97/573184397.db2.gz IHROESARROSSPA-UHFFFAOYSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccccc1C1(CC#N)COC1 258571103 573184450 /nfs/dbraw/zinc/18/44/50/573184450.db2.gz NEDAPBHDPRKLDY-UHFFFAOYSA-N 0 0 187.242 2.177 10 30 AEEERN CCOCCON=C1C[C@@H](C)[C@@H]1C 393507516 573184459 /nfs/dbraw/zinc/18/44/59/573184459.db2.gz XSSXJENUFWNXMB-BDAKNGLRSA-N 0 0 185.267 2.071 10 30 AEEERN CC[C@@](O)(C(C)C)C(C)(C)C#N 85882249 573184460 /nfs/dbraw/zinc/18/44/60/573184460.db2.gz JMVHHLPMNKVJET-SNVBAGLBSA-N 0 0 169.268 2.333 10 30 AEEERN CC[C@@H]1CC(=O)C(C)=C1C 238300498 573184464 /nfs/dbraw/zinc/18/44/64/573184464.db2.gz OVUKXBLWPZQINY-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C=C1CCC(=O)[C@H](CC)C1 238300382 573184473 /nfs/dbraw/zinc/18/44/73/573184473.db2.gz YNTNZGSQTAPTDK-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@](C)(C#N)C1(O)CCCC1 85880397 573184488 /nfs/dbraw/zinc/18/44/88/573184488.db2.gz HOMNSAZBHPGNHB-VIFPVBQESA-N 0 0 167.252 2.231 10 30 AEEERN C[C@H](C#N)[C@@](C)(O)c1cccs1 85883133 573184499 /nfs/dbraw/zinc/18/44/99/573184499.db2.gz DAXSFMAGSIKIHN-VXNVDRBHSA-N 0 0 181.260 2.115 10 30 AEEERN C[C@H]1CC[C@](C#N)(C(C)(C)O)C1 85881293 573184508 /nfs/dbraw/zinc/18/45/08/573184508.db2.gz JXKZPDSEHVIKLZ-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@H]1CC[C@](C#N)(C(C)(C)O)C1 85881260 573184651 /nfs/dbraw/zinc/18/46/51/573184651.db2.gz FUKRRTWJIMLWFQ-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](C=O)Cc1ccccc1F 82762830 573184668 /nfs/dbraw/zinc/18/46/68/573184668.db2.gz LQICZDYAOWVGND-QMMMGPOBSA-N 0 0 166.195 2.203 10 30 AEEERN C[C@@H](C#N)[C@@](C)(O)c1cccs1 85883129 573184671 /nfs/dbraw/zinc/18/46/71/573184671.db2.gz DAXSFMAGSIKIHN-IONNQARKSA-N 0 0 181.260 2.115 10 30 AEEERN CC[C@H]1CC[C@](O)(C(C)(C)C#N)C1 85894521 573200175 /nfs/dbraw/zinc/20/01/75/573200175.db2.gz ONKZXSLEHWHGOF-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN N#Cc1cc(-c2ccccc2F)[nH]n1 259366208 573199360 /nfs/dbraw/zinc/19/93/60/573199360.db2.gz QLWWOWAAPZSRCI-UHFFFAOYSA-N 0 0 187.177 2.087 10 30 AEEERN C[C@@H](C#N)[C@]1(O)C[C@H](C)CC[C@@H]1C 85895074 573199368 /nfs/dbraw/zinc/19/93/68/573199368.db2.gz TYYHVPNORTXJIW-RCWTZXSCSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@@H]1CC[C@@](O)(C(C)(C)C#N)C1 85894523 573199376 /nfs/dbraw/zinc/19/93/76/573199376.db2.gz ONKZXSLEHWHGOF-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN C=CCC[C@@]12CCC(=O)[C@@H]1C2 222752426 573199429 /nfs/dbraw/zinc/19/94/29/573199429.db2.gz HEDPDRFWEHOAKT-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)[S@@](=O)[C@H]1CCCC[C@@H]1C#N 82789314 573200189 /nfs/dbraw/zinc/20/01/89/573200189.db2.gz UHYJGQBBTPQMRJ-NRUUGDAUSA-N 0 0 199.319 2.226 10 30 AEEERN C[C@H](C#N)C[S@@](=O)c1cccs1 82788824 573199451 /nfs/dbraw/zinc/19/94/51/573199451.db2.gz UDWQQHWSLYPJER-KRTXAFLBSA-N 0 0 199.300 2.015 10 30 AEEERN C[C@@H](C#N)[C@@H](O)C1CCCCCC1 85896383 573199455 /nfs/dbraw/zinc/19/94/55/573199455.db2.gz PZFCHGBZMBRMIC-GXSJLCMTSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H](CC#N)[S@](=O)C1CCCCC1 82789269 573199476 /nfs/dbraw/zinc/19/94/76/573199476.db2.gz GXHCREMHGHODDX-NOZJJQNGSA-N 0 0 199.319 2.370 10 30 AEEERN C[C@@H]1CCC[C@@]1(O)C1(C#N)CCC1 85895553 573199491 /nfs/dbraw/zinc/19/94/91/573199491.db2.gz BUQWBYPUQGGLNF-KOLCDFICSA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@@](O)(C1CC1)C(C)(C)C#N 85895221 573199503 /nfs/dbraw/zinc/19/95/03/573199503.db2.gz DOMBLZDBBMSROU-SNVBAGLBSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1ccccc1[S@@](=O)[C@@H](C)C#N 82789194 573199539 /nfs/dbraw/zinc/19/95/39/573199539.db2.gz IXOCEGFKDVDCQO-TVQRCGJNSA-N 0 0 193.271 2.015 10 30 AEEERN CC[C@H](C#N)[S@](=O)C1CCCCC1 82789275 573199547 /nfs/dbraw/zinc/19/95/47/573199547.db2.gz JHBFUCGVTJSNPU-NOZJJQNGSA-N 0 0 199.319 2.370 10 30 AEEERN C[C@H]1CC[C@](C#N)(C2(O)CCC2)C1 85898210 573199560 /nfs/dbraw/zinc/19/95/60/573199560.db2.gz GHCZAZWTTNCNHO-UWVGGRQHSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H](CC#N)[S@@](=O)c1cccs1 82788835 573199578 /nfs/dbraw/zinc/19/95/78/573199578.db2.gz DINNLXTYQAZAGN-KRTXAFLBSA-N 0 0 199.300 2.158 10 30 AEEERN CC[C@H](C)C(=O)OC1(C#N)CCC1 308305933 573199581 /nfs/dbraw/zinc/19/95/81/573199581.db2.gz OJYPLYIQKMQOGQ-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@H]1CC[C@@](O)(C(C)(C)C#N)C1 85894526 573199610 /nfs/dbraw/zinc/19/96/10/573199610.db2.gz ONKZXSLEHWHGOF-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccccc1[S@](=O)[C@@H](C)C#N 82789196 573199630 /nfs/dbraw/zinc/19/96/30/573199630.db2.gz IXOCEGFKDVDCQO-ZANVPECISA-N 0 0 193.271 2.015 10 30 AEEERN CC[C@@H](C#N)[S@](=O)c1cccs1 82788845 573199634 /nfs/dbraw/zinc/19/96/34/573199634.db2.gz JTGFVXLCAXFPLS-JVXZTZIISA-N 0 0 199.300 2.158 10 30 AEEERN C[C@H](CC#N)[S@](=O)c1cccs1 82788840 573199666 /nfs/dbraw/zinc/19/96/66/573199666.db2.gz DINNLXTYQAZAGN-JMCQJSRRSA-N 0 0 199.300 2.158 10 30 AEEERN C[C@H](C#N)C[S@](=O)C1CCCCC1 82789261 573200204 /nfs/dbraw/zinc/20/02/04/573200204.db2.gz GDSORHLXAZZJPP-NOZJJQNGSA-N 0 0 199.319 2.227 10 30 AEEERN CC1CCC([C@H](O)[C@H](C)C#N)CC1 85896450 573200209 /nfs/dbraw/zinc/20/02/09/573200209.db2.gz KHUWWCINSZIXOO-VGRIYTJTSA-N 0 0 181.279 2.333 10 30 AEEERN C[C@@H]1CC[C@](O)(C(C)(C)C#N)C1 85894372 573199785 /nfs/dbraw/zinc/19/97/85/573199785.db2.gz NNERMLFJDQRUOR-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN C=CCN(C(=O)CC)[C@H](C)C(C)C 308304234 573199790 /nfs/dbraw/zinc/19/97/90/573199790.db2.gz NNNKUXVHJKBXJJ-SNVBAGLBSA-N 0 0 183.295 2.456 10 30 AEEERN C[C@@H]1CC[C@@](C#N)(C2(O)CCC2)C1 85898205 573199816 /nfs/dbraw/zinc/19/98/16/573199816.db2.gz GHCZAZWTTNCNHO-NXEZZACHSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H](C#N)C(F)(F)C(F)(F)F 257966600 573199844 /nfs/dbraw/zinc/19/98/44/573199844.db2.gz YCTPOIYXAVGGHI-VKHMYHEASA-N 0 0 173.084 2.344 10 30 AEEERN C[C@@H](C#N)[C@H](O)C1CCCCCC1 85896376 573199904 /nfs/dbraw/zinc/19/99/04/573199904.db2.gz PZFCHGBZMBRMIC-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C[S@@](=O)[C@H](CC#N)c1ccccc1 82789427 573199906 /nfs/dbraw/zinc/19/99/06/573199906.db2.gz ANQZPGXWBBDXDR-MFKMUULPSA-N 0 0 193.271 2.020 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCC[C@@H](C)[C@H]1C 85894884 573199910 /nfs/dbraw/zinc/19/99/10/573199910.db2.gz LROLWTOWONSAGC-YTWAJWBKSA-N 0 0 181.279 2.333 10 30 AEEERN CC1CCC([C@@H](O)[C@H](C)C#N)CC1 85896453 573199922 /nfs/dbraw/zinc/19/99/22/573199922.db2.gz KHUWWCINSZIXOO-DJRKXVOMSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@@H](C#N)[C@]1(O)CC[C@@H](CC)C1 85894578 573199959 /nfs/dbraw/zinc/19/99/59/573199959.db2.gz DRNZFWOVHPFZDE-VWYCJHECSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@H]1CCC[C@]1(O)C(C)(C)C#N 85895469 573200005 /nfs/dbraw/zinc/20/00/05/573200005.db2.gz ILWYRCKPQBMSEZ-WCBMZHEXSA-N 0 0 167.252 2.087 10 30 AEEERN C[S@](=O)[C@H](CC#N)c1ccccc1 82789429 573200007 /nfs/dbraw/zinc/20/00/07/573200007.db2.gz ANQZPGXWBBDXDR-ZWNOBZJWSA-N 0 0 193.271 2.020 10 30 AEEERN CC[C@](C)(C#N)[C@@]1(O)CCC[C@@H]1C 85895462 573200018 /nfs/dbraw/zinc/20/00/18/573200018.db2.gz JSOXGUPUXAPWNH-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN Cc1ccccc1[S@](=O)[C@H](C)C#N 82789199 573200079 /nfs/dbraw/zinc/20/00/79/573200079.db2.gz IXOCEGFKDVDCQO-RNCFNFMXSA-N 0 0 193.271 2.015 10 30 AEEERN C[C@H](C#N)[C@]1(O)CCC[C@H](C2CC2)C1 85894670 573200081 /nfs/dbraw/zinc/20/00/81/573200081.db2.gz RTVNBPYVSSDXCW-USWWRNFRSA-N 0 0 193.290 2.477 10 30 AEEERN CC[C@@H](C#N)[C@@]1(O)CC[C@@H](CC)C1 85894569 573200095 /nfs/dbraw/zinc/20/00/95/573200095.db2.gz DRNZFWOVHPFZDE-OUAUKWLOSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(C#N)[C@]1(O)CC[C@H](C)C1 85894360 573200135 /nfs/dbraw/zinc/20/01/35/573200135.db2.gz WAZBKAYSWIPQCD-AXFHLTTASA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](C#N)[C@@]1(O)CCC[C@@H](C)CC1 85895831 573200165 /nfs/dbraw/zinc/20/01/65/573200165.db2.gz VQRKFTWCURUEOC-OUAUKWLOSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)CCO[C@@H](C)C[C@](C)(N)C#N 82795743 573200266 /nfs/dbraw/zinc/20/02/66/573200266.db2.gz BNLIDJPFBLSGQD-QWRGUYRKSA-N 0 0 198.310 2.069 10 30 AEEERN CCC(C)(C)O[C@H](C)C[C@@](C)(N)C#N 82795668 573200282 /nfs/dbraw/zinc/20/02/82/573200282.db2.gz KJMQYYMAVFZHOP-MWLCHTKSSA-N 0 0 198.310 2.211 10 30 AEEERN CC[C@H](C)C(=O)O[C@@H](C#N)C(C)C 308304207 573200348 /nfs/dbraw/zinc/20/03/48/573200348.db2.gz NMLDQSKPXJNDNW-IUCAKERBSA-N 0 0 183.251 2.124 10 30 AEEERN CCc1ccccc1NC=NC#N 238311103 573200369 /nfs/dbraw/zinc/20/03/69/573200369.db2.gz KLOWTUZJWOVKRT-UHFFFAOYSA-N 0 0 173.219 2.170 10 30 AEEERN CC[C@](O)(C1CC1)C1(C#N)CCC1 85895277 573200417 /nfs/dbraw/zinc/20/04/17/573200417.db2.gz KXQSAHWGMORIKZ-NSHDSACASA-N 0 0 179.263 2.231 10 30 AEEERN CC[C@@H]1CC[C@](O)(C(C)(C)C#N)C1 85894517 573200521 /nfs/dbraw/zinc/20/05/21/573200521.db2.gz ONKZXSLEHWHGOF-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN C[C@@H](CC#N)[S@](=O)C1CCCCC1 82789268 573200533 /nfs/dbraw/zinc/20/05/33/573200533.db2.gz GXHCREMHGHODDX-TVQRCGJNSA-N 0 0 199.319 2.370 10 30 AEEERN CCC[C@@H](C)C(=O)CCC#N 225953450 573200546 /nfs/dbraw/zinc/20/05/46/573200546.db2.gz PRRPUMMPLUYXHW-MRVPVSSYSA-N 0 0 153.225 2.295 10 30 AEEERN CC[C@@H](C)C(=O)OC1(C#N)CCC1 308305932 573200576 /nfs/dbraw/zinc/20/05/76/573200576.db2.gz OJYPLYIQKMQOGQ-MRVPVSSYSA-N 0 0 181.235 2.022 10 30 AEEERN C[C@@H](CC#N)[S@@](=O)c1cccs1 82788833 573200578 /nfs/dbraw/zinc/20/05/78/573200578.db2.gz DINNLXTYQAZAGN-MADCSZMMSA-N 0 0 199.300 2.158 10 30 AEEERN C[C@H]1CCC[C@@]1(O)C1(C#N)CCC1 85895556 573200614 /nfs/dbraw/zinc/20/06/14/573200614.db2.gz BUQWBYPUQGGLNF-ONGXEEELSA-N 0 0 179.263 2.231 10 30 AEEERN CC(C)C[S@@](=O)[C@H]1CCC[C@@H]1C#N 82789037 573200647 /nfs/dbraw/zinc/20/06/47/573200647.db2.gz NPKYEMNBBRRPDJ-NRUUGDAUSA-N 0 0 199.319 2.083 10 30 AEEERN C[C@@H]1CCC[C@]1(O)C(C)(C)C#N 85895466 573200653 /nfs/dbraw/zinc/20/06/53/573200653.db2.gz ILWYRCKPQBMSEZ-PSASIEDQSA-N 0 0 167.252 2.087 10 30 AEEERN C[C@H]1CC[C@@](O)(C2(C#N)CCC2)C1 85894449 573200673 /nfs/dbraw/zinc/20/06/73/573200673.db2.gz YGSGYYPOFHQYOO-ONGXEEELSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@H](C#N)C[S@@](=O)C1CCCCC1 82789256 573200691 /nfs/dbraw/zinc/20/06/91/573200691.db2.gz GDSORHLXAZZJPP-RNCFNFMXSA-N 0 0 199.319 2.227 10 30 AEEERN C[C@@H](O)c1ccc([C@H](C)CC=O)cc1 257968982 573200736 /nfs/dbraw/zinc/20/07/36/573200736.db2.gz CPPWBSICESNVOL-NXEZZACHSA-N 0 0 192.258 2.432 10 30 AEEERN C[C@@H](C#N)[C@@H](O)[C@H]1CCC[C@@H](C)C1 85896515 573200761 /nfs/dbraw/zinc/20/07/61/573200761.db2.gz KVVUGUGALOLLPN-VPOLOUISSA-N 0 0 181.279 2.333 10 30 AEEERN CC[C@@H](C#N)[S@@](=O)c1cccs1 82788841 573200774 /nfs/dbraw/zinc/20/07/74/573200774.db2.gz JTGFVXLCAXFPLS-MADCSZMMSA-N 0 0 199.300 2.158 10 30 AEEERN C[C@@H]1CC[C@](C#N)(C2(O)CCC2)C1 85898209 573200781 /nfs/dbraw/zinc/20/07/81/573200781.db2.gz GHCZAZWTTNCNHO-ZJUUUORDSA-N 0 0 179.263 2.231 10 30 AEEERN C[S@](=O)[C@@H](CC#N)c1ccccc1 82789426 573200791 /nfs/dbraw/zinc/20/07/91/573200791.db2.gz ANQZPGXWBBDXDR-GXFFZTMASA-N 0 0 193.271 2.020 10 30 AEEERN C[C@@H]1CC[C@](O)(C2(C#N)CCC2)C1 85894440 573200808 /nfs/dbraw/zinc/20/08/08/573200808.db2.gz YGSGYYPOFHQYOO-MWLCHTKSSA-N 0 0 179.263 2.231 10 30 AEEERN C[C@@H](CC=O)[Si](C)(C)C 197182940 573200863 /nfs/dbraw/zinc/20/08/63/573200863.db2.gz ZIKXZJFWJBJPBT-ZETCQYMHSA-N 0 0 144.290 2.304 10 30 AEEERN C[C@@H](C#N)C[S@](=O)c1cccs1 82788832 573200917 /nfs/dbraw/zinc/20/09/17/573200917.db2.gz UDWQQHWSLYPJER-JVXZTZIISA-N 0 0 199.300 2.015 10 30 AEEERN C[S@@](=O)[C@@H](CC#N)c1ccccc1 82789425 573200926 /nfs/dbraw/zinc/20/09/26/573200926.db2.gz ANQZPGXWBBDXDR-GWCFXTLKSA-N 0 0 193.271 2.020 10 30 AEEERN C[C@@H](CC#N)[S@@](=O)C1CCCCC1 82789264 573201004 /nfs/dbraw/zinc/20/10/04/573201004.db2.gz GXHCREMHGHODDX-ZANVPECISA-N 0 0 199.319 2.370 10 30 AEEERN COC(=O)[C@@H](CS)CC(C)(C)C 257969937 573201029 /nfs/dbraw/zinc/20/10/29/573201029.db2.gz BTPRQJJDMIHAMX-SSDOTTSWSA-N 0 0 190.308 2.142 10 30 AEEERN N#Cc1cnccc1N[C@H]1C=CCCC1 308851911 573202824 /nfs/dbraw/zinc/20/28/24/573202824.db2.gz CKHLSMCDTHDXHL-NSHDSACASA-N 0 0 199.257 2.474 10 30 AEEERN N#Cc1sc(N)nc1C1CCCC1 259370482 573203027 /nfs/dbraw/zinc/20/30/27/573203027.db2.gz VLNMRUCODYIOKO-UHFFFAOYSA-N 0 0 193.275 2.255 10 30 AEEERN C[C@@H](CC=O)c1ccc([C@@H](C)O)cc1 257968987 573203049 /nfs/dbraw/zinc/20/30/49/573203049.db2.gz CPPWBSICESNVOL-VHSXEESVSA-N 0 0 192.258 2.432 10 30 AEEERN C/C=C(/C)C(=O)OCC(C)(C)C#N 308307141 573203175 /nfs/dbraw/zinc/20/31/75/573203175.db2.gz OYWHCAKJWATYKL-YVMONPNESA-N 0 0 181.235 2.046 10 30 AEEERN COc1cc(C#N)cc(OC(C)C)c1 234837585 573203254 /nfs/dbraw/zinc/20/32/54/573203254.db2.gz PIXYPPZACMOSFA-UHFFFAOYSA-N 0 0 191.230 2.354 10 30 AEEERN O=CC[C@@H](F)C1CCCCC1 258584716 573203310 /nfs/dbraw/zinc/20/33/10/573203310.db2.gz SSOKUUPPXZCVFU-SECBINFHSA-N 0 0 158.216 2.494 10 30 AEEERN C#C[C@H](CCCCC)O[C@H](C)[C@@H](C)O 393659805 573203368 /nfs/dbraw/zinc/20/33/68/573203368.db2.gz SRWCXMCOJURMKL-IJLUTSLNSA-N 0 0 198.306 2.354 10 30 AEEERN C/C=C(\C)C(=O)OCC(C)(C)C#N 308307140 573203437 /nfs/dbraw/zinc/20/34/37/573203437.db2.gz OYWHCAKJWATYKL-VMPITWQZSA-N 0 0 181.235 2.046 10 30 AEEERN CCCC[C@@H](C)N[C@H](C)C#N 50888207 573203445 /nfs/dbraw/zinc/20/34/45/573203445.db2.gz OONVNFMEMOHRIM-RKDXNWHRSA-N 0 0 154.257 2.067 10 30 AEEERN Cc1ccc(N(C)C)c(CC#N)c1 257969826 573203455 /nfs/dbraw/zinc/20/34/55/573203455.db2.gz ICVAUOOGVCHALB-UHFFFAOYSA-N 0 0 174.247 2.127 10 30 AEEERN COC(=O)[C@H](CS)CC(C)(C)C 257969939 573203516 /nfs/dbraw/zinc/20/35/16/573203516.db2.gz BTPRQJJDMIHAMX-ZETCQYMHSA-N 0 0 190.308 2.142 10 30 AEEERN CCCCCO[C@@H](C)C[C@@](C)(N)C#N 82796509 573206003 /nfs/dbraw/zinc/20/60/03/573206003.db2.gz URWIQFXQAYBCBZ-WDEREUQCSA-N 0 0 198.310 2.213 10 30 AEEERN O=CCC(F)(F)c1ccc(O)cc1 257970494 573205523 /nfs/dbraw/zinc/20/55/23/573205523.db2.gz YOUDETCLHYENSF-UHFFFAOYSA-N 0 0 186.157 2.073 10 30 AEEERN C=C(C)CNN=C1CCS[C@@H]1C 393509292 573205647 /nfs/dbraw/zinc/20/56/47/573205647.db2.gz SBLVIFAYGGOECR-MRVPVSSYSA-N 0 0 184.308 2.034 10 30 AEEERN C=C(C)Cc1cc(N(C)C)ccc1N 238313174 573208706 /nfs/dbraw/zinc/20/87/06/573208706.db2.gz BJECOIBLTFWVPH-UHFFFAOYSA-N 0 0 190.290 2.453 10 30 AEEERN N#CC1([C@H](N)c2cccc(F)c2)CC1 259376283 573208768 /nfs/dbraw/zinc/20/87/68/573208768.db2.gz KUZQSRZYFKEFSE-SNVBAGLBSA-N 0 0 190.221 2.129 10 30 AEEERN CNc1ccc(C2(C#N)CC2)cc1 238312732 573208800 /nfs/dbraw/zinc/20/88/00/573208800.db2.gz LABHNHNWYPBJLF-UHFFFAOYSA-N 0 0 172.231 2.283 10 30 AEEERN CCc1cc(C#N)ccc1COC 238313011 573208848 /nfs/dbraw/zinc/20/88/48/573208848.db2.gz CHBGBKOFPGMDQN-UHFFFAOYSA-N 0 0 175.231 2.267 10 30 AEEERN Cc1c(N)cccc1SCC#N 85934341 573208898 /nfs/dbraw/zinc/20/88/98/573208898.db2.gz HPBLDZRVOXORLW-UHFFFAOYSA-N 0 0 178.260 2.193 10 30 AEEERN Cc1cc(O)c(O)c(Cl)c1CC#N 257965085 573208965 /nfs/dbraw/zinc/20/89/65/573208965.db2.gz CFOTYMMFYBHXLL-UHFFFAOYSA-N 0 0 197.621 2.126 10 30 AEEERN C[C@H](C#N)Sc1cccc(N)c1 85927885 573208991 /nfs/dbraw/zinc/20/89/91/573208991.db2.gz YHJHKRQLPKQPGQ-SSDOTTSWSA-N 0 0 178.260 2.273 10 30 AEEERN N#CCCSc1ccc(N)c(F)c1 85936086 573209039 /nfs/dbraw/zinc/20/90/39/573209039.db2.gz SCUFGRACPPJFKQ-UHFFFAOYSA-N 0 0 196.250 2.414 10 30 AEEERN COc1c(F)cccc1C1(C#N)CC1 115688752 573209198 /nfs/dbraw/zinc/20/91/98/573209198.db2.gz RDRAHKADDRYWEU-UHFFFAOYSA-N 0 0 191.205 2.389 10 30 AEEERN C[C@H](C#N)Sc1ccc(N)c(F)c1 85935812 573209201 /nfs/dbraw/zinc/20/92/01/573209201.db2.gz WJVNNKKFHYZFJS-ZCFIWIBFSA-N 0 0 196.250 2.412 10 30 AEEERN CC1=C2C(=O)CC[C@]2(C)CC1 222896227 573209271 /nfs/dbraw/zinc/20/92/71/573209271.db2.gz KOAPLSKCJBPOCH-JTQLQIEISA-N 0 0 150.221 2.466 10 30 AEEERN Cc1ccc(CCC=O)c(C)c1O 257971426 573212899 /nfs/dbraw/zinc/21/28/99/573212899.db2.gz IJEWHHCYXDAVDP-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN N#Cc1c(Cl)ccc2c1CCO2 257972747 573212942 /nfs/dbraw/zinc/21/29/42/573212942.db2.gz IPACOQGMPRYTSI-UHFFFAOYSA-N 0 0 179.606 2.147 10 30 AEEERN N#CC1([C@@H](N)c2cccc(F)c2)CC1 259376279 573212958 /nfs/dbraw/zinc/21/29/58/573212958.db2.gz KUZQSRZYFKEFSE-JTQLQIEISA-N 0 0 190.221 2.129 10 30 AEEERN N#Cc1cccc2ncc(Cl)nc12 260167335 573213001 /nfs/dbraw/zinc/21/30/01/573213001.db2.gz LBSTUNYOSBMLJE-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN O=C[C@@H]1Cc2cccc(Cl)c21 258587141 573213040 /nfs/dbraw/zinc/21/30/40/573213040.db2.gz SWNAKMCBIJOJKN-ZETCQYMHSA-N 0 0 166.607 2.179 10 30 AEEERN C=CCc1ccc2c(c1)N(C)CC2 238313769 573213130 /nfs/dbraw/zinc/21/31/30/573213130.db2.gz WKFIAVMQNOWNCS-UHFFFAOYSA-N 0 0 173.259 2.407 10 30 AEEERN CC[C@@H](C)C(=O)O[C@@](C)(C#N)CC 308308820 573213175 /nfs/dbraw/zinc/21/31/75/573213175.db2.gz PUXNNMOCXMQORP-PSASIEDQSA-N 0 0 183.251 2.268 10 30 AEEERN COCc1ccc(CCC=O)cc1F 257972811 573213216 /nfs/dbraw/zinc/21/32/16/573213216.db2.gz CZMPNBDMVBGZMJ-UHFFFAOYSA-N 0 0 196.221 2.104 10 30 AEEERN CO[C@@H](C)c1cccc(C#N)c1 259382208 573225396 /nfs/dbraw/zinc/22/53/96/573225396.db2.gz KDXBVQVOTDZWLW-QMMMGPOBSA-N 0 0 161.204 2.266 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@H](C)[C@@H](C)C1 82838170 573224741 /nfs/dbraw/zinc/22/47/41/573224741.db2.gz ZGQJVSMWGUHYIH-SDDRHHMPSA-N 0 0 192.306 2.480 10 30 AEEERN CC[C@@]1(CC=O)C=CCC1 238309335 573224781 /nfs/dbraw/zinc/22/47/81/573224781.db2.gz GZTSGVQCWJGEQG-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@H]1C[C@@H](OCC=O)CC[C@H]1C 82840937 573224850 /nfs/dbraw/zinc/22/48/50/573224850.db2.gz KYFOWUNWRYOWFD-UTLUCORTSA-N 0 0 170.252 2.027 10 30 AEEERN CC[C@]1(CC=O)CCCC(=O)C1 238309347 573225087 /nfs/dbraw/zinc/22/50/87/573225087.db2.gz FIQLPCMCWNXMJD-SNVBAGLBSA-N 0 0 168.236 2.115 10 30 AEEERN CC[C@]1(C=O)O[C@H]1c1ccccc1 238309031 573225121 /nfs/dbraw/zinc/22/51/21/573225121.db2.gz LSWRZGLJPMVZFA-WDEREUQCSA-N 0 0 176.215 2.106 10 30 AEEERN C=CCC[C@@](C)(O)Cc1ccncc1 132139334 573225222 /nfs/dbraw/zinc/22/52/22/573225222.db2.gz OIYUGNLFQDNTHU-GFCCVEGCSA-N 0 0 191.274 2.341 10 30 AEEERN C=CCC[C@](C)(O)c1cccnc1 132142946 573225246 /nfs/dbraw/zinc/22/52/46/573225246.db2.gz ZXVZIWZUQDZLMR-NSHDSACASA-N 0 0 177.247 2.255 10 30 AEEERN C=CCC[C@@](C)(O)c1cccnc1 132142739 573225284 /nfs/dbraw/zinc/22/52/84/573225284.db2.gz ZXVZIWZUQDZLMR-LLVKDONJSA-N 0 0 177.247 2.255 10 30 AEEERN CCN[C@]1(C#N)CC[C@@H](C)[C@H](C)C1 82838021 573225522 /nfs/dbraw/zinc/22/55/22/573225522.db2.gz KPVPNUJXRHSFGG-GMTAPVOTSA-N 0 0 180.295 2.314 10 30 AEEERN CC#CCCCOC(=O)/C(C)=C/C 308311510 573225591 /nfs/dbraw/zinc/22/55/91/573225591.db2.gz RRTAUEHQXHSYDC-BJMVGYQFSA-N 0 0 180.247 2.299 10 30 AEEERN C=CCN[C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 82838169 573225747 /nfs/dbraw/zinc/22/57/47/573225747.db2.gz ZGQJVSMWGUHYIH-GRYCIOLGSA-N 0 0 192.306 2.480 10 30 AEEERN CCN(C)c1c(C#N)noc1C(C)C 259382009 573225754 /nfs/dbraw/zinc/22/57/54/573225754.db2.gz IGEQHLXBFJYNLB-UHFFFAOYSA-N 0 0 193.250 2.126 10 30 AEEERN CC[C@@H](C#N)c1nc2ncccc2o1 259381192 573225782 /nfs/dbraw/zinc/22/57/82/573225782.db2.gz GVXJOFGXHYZKQR-ZETCQYMHSA-N 0 0 187.202 2.240 10 30 AEEERN C[C@@H]1CCC/C(=N\N(C)C)C1 104836765 573225812 /nfs/dbraw/zinc/22/58/12/573225812.db2.gz LAFBCVSLSDHPSH-KGSKPCQNSA-N 0 0 154.257 2.114 10 30 AEEERN CC[C@H](C#N)c1nc2ncccc2o1 259381188 573225846 /nfs/dbraw/zinc/22/58/46/573225846.db2.gz GVXJOFGXHYZKQR-SSDOTTSWSA-N 0 0 187.202 2.240 10 30 AEEERN CC(C)Cc1cccc(C#N)n1 259038028 573225877 /nfs/dbraw/zinc/22/58/77/573225877.db2.gz AACNYUMZOSKSDD-UHFFFAOYSA-N 0 0 160.220 2.152 10 30 AEEERN CCc1cnc(C#N)c(CC)c1 238321969 573226218 /nfs/dbraw/zinc/22/62/18/573226218.db2.gz ITYKRCLKVXFGTL-UHFFFAOYSA-N 0 0 160.220 2.078 10 30 AEEERN CN[C@H](S)c1cc(C)ccc1C 259387245 573229876 /nfs/dbraw/zinc/22/98/76/573229876.db2.gz MEDRMXLSPGZMHB-SNVBAGLBSA-N 0 0 181.304 2.451 10 30 AEEERN CCON=CCc1ccc(F)cc1 308313987 573230271 /nfs/dbraw/zinc/23/02/71/573230271.db2.gz UYYSDRDLJFEYHO-UHFFFAOYSA-N 0 0 181.210 2.391 10 30 AEEERN CN[C@@H](S)c1cc(C)ccc1C 259387243 573230342 /nfs/dbraw/zinc/23/03/42/573230342.db2.gz MEDRMXLSPGZMHB-JTQLQIEISA-N 0 0 181.304 2.451 10 30 AEEERN Oc1ccc(/N=C/c2ccc[nH]2)cc1 105133142 573237010 /nfs/dbraw/zinc/23/70/10/573237010.db2.gz AXVRUPGCSAYAGE-MDWZMJQESA-N 0 0 186.214 2.471 10 30 AEEERN CCC1(Cn2ccnc2C#N)CCC1 306584202 573237129 /nfs/dbraw/zinc/23/71/29/573237129.db2.gz JGIVVACDJOBIJF-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN N#Cc1cccc2c(CO)cccc12 116013504 573237132 /nfs/dbraw/zinc/23/71/32/573237132.db2.gz SMXIVXWOAGROIW-UHFFFAOYSA-N 0 0 183.210 2.204 10 30 AEEERN Cc1cnc2c(CC#N)nccc2c1 259386853 573237160 /nfs/dbraw/zinc/23/71/60/573237160.db2.gz AAINRLRLHOWPEX-UHFFFAOYSA-N 0 0 183.214 2.004 10 30 AEEERN CCC[C@H](C)COCCO[C@@H](C)C#N 308526607 573237204 /nfs/dbraw/zinc/23/72/04/573237204.db2.gz IZKQSZPQLUKVKZ-QWRGUYRKSA-N 0 0 199.294 2.368 10 30 AEEERN CC[C@H](C)C(=O)OCC(C)(C)C#N 308315249 573237208 /nfs/dbraw/zinc/23/72/08/573237208.db2.gz UZZCYLDDOKQTKE-QMMMGPOBSA-N 0 0 183.251 2.125 10 30 AEEERN N#Cc1ccc(N)c2scc(F)c12 306584368 573237250 /nfs/dbraw/zinc/23/72/50/573237250.db2.gz RSDCGMZPTZOKEP-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C#CC[C@@H](CC)NC(=O)C1(CC)CC1 308526247 573237304 /nfs/dbraw/zinc/23/73/04/573237304.db2.gz IZYONAQPUBUJNJ-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN CC[C@@H](C)ON=Cc1cccnc1 308323308 573237514 /nfs/dbraw/zinc/23/75/14/573237514.db2.gz CWVDXDWGVVMPTH-SECBINFHSA-N 0 0 178.235 2.231 10 30 AEEERN CC[C@@]12C=C[C@@](OC)(CC1)[C@@H](C=O)C2 238314282 573237518 /nfs/dbraw/zinc/23/75/18/573237518.db2.gz XVTUTYIQYBDKDS-IJLUTSLNSA-N 0 0 194.274 2.337 10 30 AEEERN N#C[C@H]1C[C@@H](C2CCCC2)CCN1 259388645 573237525 /nfs/dbraw/zinc/23/75/25/573237525.db2.gz AFUOYOLQIWVSBG-WDEREUQCSA-N 0 0 178.279 2.068 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)c1nccs1 308323235 573237573 /nfs/dbraw/zinc/23/75/73/573237573.db2.gz CTHOATUZTVCKGG-SSDOTTSWSA-N 0 0 197.259 2.265 10 30 AEEERN Cc1ccoc1CN[C@@H](C)[C@H](C)C#N 308528869 573237647 /nfs/dbraw/zinc/23/76/47/573237647.db2.gz RHKCGKJSWLPUNQ-ZJUUUORDSA-N 0 0 192.262 2.226 10 30 AEEERN CN=C(N=NC1CCCCC1)SC 238314515 573237682 /nfs/dbraw/zinc/23/76/82/573237682.db2.gz MJCNYIJSPHLGLH-UHFFFAOYSA-N 0 0 199.323 2.245 10 30 AEEERN C=C[C@H](C)OC(=O)c1occc1C 308323789 573239249 /nfs/dbraw/zinc/23/92/49/573239249.db2.gz DHNKRPYDFMDKBP-QMMMGPOBSA-N 0 0 180.203 2.319 10 30 AEEERN CSCC(=CC(C)=O)CSC 238417732 573239323 /nfs/dbraw/zinc/23/93/23/573239323.db2.gz DXECMBCEVLNFRM-UHFFFAOYSA-N 0 0 190.333 2.228 10 30 AEEERN C=CCC[C@@](C)(O)c1ccco1 132193689 573239351 /nfs/dbraw/zinc/23/93/51/573239351.db2.gz QAGQCFJITGCGHL-SNVBAGLBSA-N 0 0 166.220 2.453 10 30 AEEERN Cc1cc(-c2ocnc2C)[nH]c1C#N 259388606 573239363 /nfs/dbraw/zinc/23/93/63/573239363.db2.gz AFKWTKIIQYQSAU-UHFFFAOYSA-N 0 0 187.202 2.158 10 30 AEEERN C=CCC[C@](C)(O)c1ccoc1 132164499 573239383 /nfs/dbraw/zinc/23/93/83/573239383.db2.gz WRLFMSUAYGWXNB-JTQLQIEISA-N 0 0 166.220 2.453 10 30 AEEERN C=C[C@@H](NOC)c1cccc(OC)c1 308527459 573239461 /nfs/dbraw/zinc/23/94/61/573239461.db2.gz BKFQVZMHYNOYOE-LLVKDONJSA-N 0 0 193.246 2.073 10 30 AEEERN CNC=CC(=O)c1ccc(C)cc1C 238314993 573239523 /nfs/dbraw/zinc/23/95/23/573239523.db2.gz CQTWNGCYEIWCOJ-VOTSOKGWSA-N 0 0 189.258 2.219 10 30 AEEERN N#Cc1ccc2sc(F)cc2c1N 306581865 573239623 /nfs/dbraw/zinc/23/96/23/573239623.db2.gz QCOAFLBZVYEAIG-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN CC[C@H]1C[C@@H]1Nc1cccc(C#N)n1 227652466 573239633 /nfs/dbraw/zinc/23/96/33/573239633.db2.gz RRGLGKXYTMXOFV-WPRPVWTQSA-N 0 0 187.246 2.164 10 30 AEEERN CCN[C@]1(C#N)C[C@H](C)CC[C@@H]1C 82860162 573239709 /nfs/dbraw/zinc/23/97/09/573239709.db2.gz MWLFFTWNTGJXAS-VWYCJHECSA-N 0 0 180.295 2.314 10 30 AEEERN CCCC[C@H](C)NC(=O)[C@@H](C#N)CC 50889304 573239741 /nfs/dbraw/zinc/23/97/41/573239741.db2.gz TWNIMNBAGCEJMA-VHSXEESVSA-N 0 0 196.294 2.231 10 30 AEEERN C[C@H]1CC[C@@H](C)C[C@]1(C#N)NC1CC1 82860198 573239755 /nfs/dbraw/zinc/23/97/55/573239755.db2.gz HVEKZJHMLPHZDP-JFGNBEQYSA-N 0 0 192.306 2.457 10 30 AEEERN Cc1ccoc1CN[C@H](C)[C@@H](C)C#N 308528866 573239771 /nfs/dbraw/zinc/23/97/71/573239771.db2.gz RHKCGKJSWLPUNQ-VHSXEESVSA-N 0 0 192.262 2.226 10 30 AEEERN CCCCNc1ncc(C#N)s1 259041868 573239780 /nfs/dbraw/zinc/23/97/80/573239780.db2.gz UYBRKAQRQIUTQW-UHFFFAOYSA-N 0 0 181.264 2.227 10 30 AEEERN Cc1ccc([C@H](O)[C@H]2C[C@@H]2C#N)cc1 115937880 573239791 /nfs/dbraw/zinc/23/97/91/573239791.db2.gz QTXRVBQYTBGSSG-WOPDTQHZSA-N 0 0 187.242 2.188 10 30 AEEERN C=C(C)C(=O)Cc1nc(C)cs1 86022721 573239918 /nfs/dbraw/zinc/23/99/18/573239918.db2.gz IXKXMZDCQFHGLE-UHFFFAOYSA-N 0 0 181.260 2.139 10 30 AEEERN C=CCCC(=O)O[C@H](C=C)C1CC1 308322083 573247820 /nfs/dbraw/zinc/24/78/20/573247820.db2.gz BXTIVFOVGBYUCN-SNVBAGLBSA-N 0 0 180.247 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@@H](F)C1 308322744 573247162 /nfs/dbraw/zinc/24/71/62/573247162.db2.gz CMBXYGPQUXBLLZ-DJLDLDEBSA-N 0 0 186.226 2.242 10 30 AEEERN C#C[C@H](C)Oc1cc(F)cc(C#N)c1 235554925 573247189 /nfs/dbraw/zinc/24/71/89/573247189.db2.gz NDNCAOKZVXHZEQ-QMMMGPOBSA-N 0 0 189.189 2.098 10 30 AEEERN CC1(C)[C@H]2CC[C@]1(C)[C@H]2C=O 105278856 573247340 /nfs/dbraw/zinc/24/73/40/573247340.db2.gz AGTSNXAZDKAPHU-OYNCUSHFSA-N 0 0 152.237 2.258 10 30 AEEERN N#CCCC(F)(F)C1CCOCC1 259049222 573247477 /nfs/dbraw/zinc/24/74/77/573247477.db2.gz UYVNOHIKNDQULF-UHFFFAOYSA-N 0 0 189.205 2.352 10 30 AEEERN CCC[C@H](C)[C@@H](C)C=O 116103006 573247557 /nfs/dbraw/zinc/24/75/57/573247557.db2.gz JDLLXDLGRPABIC-YUMQZZPRSA-N 0 0 128.215 2.258 10 30 AEEERN CN(C)c1ccccc1C1(C#N)CC1 238316859 573247570 /nfs/dbraw/zinc/24/75/70/573247570.db2.gz FCFMVOMNYHNWAP-UHFFFAOYSA-N 0 0 186.258 2.308 10 30 AEEERN C=C(C)COC(=O)[C@H]1CC[C@H](F)C1 308321915 573247642 /nfs/dbraw/zinc/24/76/42/573247642.db2.gz BUBWZPAJIYUTAC-IUCAKERBSA-N 0 0 186.226 2.244 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@H](F)C1 308322743 573247647 /nfs/dbraw/zinc/24/76/47/573247647.db2.gz CMBXYGPQUXBLLZ-CIUDSAMLSA-N 0 0 186.226 2.242 10 30 AEEERN C/C=C\CC1(C#N)CC1 393873261 573247674 /nfs/dbraw/zinc/24/76/74/573247674.db2.gz QUGKCDDWUOOIPW-IHWYPQMZSA-N 0 0 121.183 2.256 10 30 AEEERN C=CCOC/C(C)=C/Br 212548130 573247678 /nfs/dbraw/zinc/24/76/78/573247678.db2.gz DWPCTENRLJBUDJ-FNORWQNLSA-N 0 0 191.068 2.488 10 30 AEEERN C=CC[C@@H](C)[C@H](NN)[C@@H]1C[C@@H]2C[C@@H]2C1 715734488 573251659 /nfs/dbraw/zinc/25/16/59/573251659.db2.gz UENMNYPAXURMKM-GCHJQGSQSA-N 0 0 194.322 2.077 10 30 AEEERN Cc1nc(C)c(C#N)c(C2CC2)c1N 259392099 573251671 /nfs/dbraw/zinc/25/16/71/573251671.db2.gz APMZCGRAPNXSFD-UHFFFAOYSA-N 0 0 187.246 2.030 10 30 AEEERN C=CC[C@H](C)[C@H]1CCCCNC1=O 715735476 573251692 /nfs/dbraw/zinc/25/16/92/573251692.db2.gz WMXDCWJKJWPWLN-VHSXEESVSA-N 0 0 181.279 2.115 10 30 AEEERN CN[C@@H](c1ccccc1)[C@@H](C)C#N 238317669 573251743 /nfs/dbraw/zinc/25/17/43/573251743.db2.gz VBOONMJTMNCXHG-GXSJLCMTSA-N 0 0 174.247 2.107 10 30 AEEERN C=CC[C@H](C)[C@H](NN)C(C)(C)CC 715734475 573251788 /nfs/dbraw/zinc/25/17/88/573251788.db2.gz ABGUIKRPBICXAA-UWVGGRQHSA-N 0 0 184.327 2.467 10 30 AEEERN CN(CC#N)c1cccc2occc12 259391863 573251796 /nfs/dbraw/zinc/25/17/96/573251796.db2.gz AMXUDROUQZPWBE-UHFFFAOYSA-N 0 0 186.214 2.393 10 30 AEEERN N#Cc1ccc(F)c(OCF)c1F 306598465 573251928 /nfs/dbraw/zinc/25/19/28/573251928.db2.gz PRRCSQCXVJSSNC-UHFFFAOYSA-N 0 0 187.120 2.142 10 30 AEEERN C[C@@H]1Cc2cccc(CCC=O)c2O1 257979377 573251940 /nfs/dbraw/zinc/25/19/40/573251940.db2.gz DQAYSNDOEGWPEU-SECBINFHSA-N 0 0 190.242 2.142 10 30 AEEERN C=CC[C@@H](C)C(=O)CCn1ccnc1 715742854 573251953 /nfs/dbraw/zinc/25/19/53/573251953.db2.gz FCNKJQUIGJAKEB-SNVBAGLBSA-N 0 0 192.262 2.055 10 30 AEEERN C=CC[C@H](C)[C@H](NN)[C@@H]1C[C@@H]1C1CC1 715738688 573251974 /nfs/dbraw/zinc/25/19/74/573251974.db2.gz KDAGDQZRWYHFAG-GMNPVEAJSA-N 0 0 194.322 2.077 10 30 AEEERN C=C(C)CNN=C1CC(C(F)F)C1 308328088 573252019 /nfs/dbraw/zinc/25/20/19/573252019.db2.gz IFBYVVUGVKJLLV-UHFFFAOYSA-N 0 0 188.221 2.183 10 30 AEEERN C[C@H]1O[C@H]1c1ccc(N(C)C)cc1 258611093 573252156 /nfs/dbraw/zinc/25/21/56/573252156.db2.gz ASWYRQKIVCHBIH-LDYMZIIASA-N 0 0 177.247 2.212 10 30 AEEERN CCc1cc2cnoc2cc1C#N 238318737 573252225 /nfs/dbraw/zinc/25/22/25/573252225.db2.gz KKWNJDDVCQQNHC-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C#CCC1(CS[C@H](C)CO)CCC1 308335661 573271195 /nfs/dbraw/zinc/27/11/95/573271195.db2.gz NUFPASYRZPSGSX-SNVBAGLBSA-N 0 0 198.331 2.294 10 30 AEEERN C=CCC(C)(C)COC 142429352 573271287 /nfs/dbraw/zinc/27/12/87/573271287.db2.gz USAMFDFWFYBLJD-UHFFFAOYSA-N 0 0 128.215 2.235 10 30 AEEERN C/C=C\[C@@H]1OC(C)(C)O[C@H]1CCC=O 308337424 573271289 /nfs/dbraw/zinc/27/12/89/573271289.db2.gz RMRKJHNCERSKHJ-SBXZVLJPSA-N 0 0 198.262 2.062 10 30 AEEERN C[C@H](CC=O)CCC[C@]1(C)CO1 238431188 573271371 /nfs/dbraw/zinc/27/13/71/573271371.db2.gz IHWAIHWNXJOERT-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN N#Cc1ccccc1C1(C#N)CC1 142481123 573271626 /nfs/dbraw/zinc/27/16/26/573271626.db2.gz OPTAYCRJRKMNHW-UHFFFAOYSA-N 0 0 168.199 2.113 10 30 AEEERN O=CC[C@@H]1Cc2cc(F)ccc2S1 258269394 573271628 /nfs/dbraw/zinc/27/16/28/573271628.db2.gz YWZNYSFXTJGKRH-SECBINFHSA-N 0 0 196.246 2.432 10 30 AEEERN C[C@H](C=O)C1=CCCCC1 105576631 573271643 /nfs/dbraw/zinc/27/16/43/573271643.db2.gz WYZGBHNEXQIMCZ-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN C=CCOC(=O)N(CC)CCCC 308386401 573272367 /nfs/dbraw/zinc/27/23/67/573272367.db2.gz XFOGPIJDYRPZNE-UHFFFAOYSA-N 0 0 185.267 2.431 10 30 AEEERN CC1(C)CNc2ccc(C#N)cc21 142455163 573272395 /nfs/dbraw/zinc/27/23/95/573272395.db2.gz FZVLPCAHMRAXRS-UHFFFAOYSA-N 0 0 172.231 2.261 10 30 AEEERN C=CCCCNC(=O)/C(C)=C/CC 308327180 573271784 /nfs/dbraw/zinc/27/17/84/573271784.db2.gz GFGLOQYOHLPEHB-CSKARUKUSA-N 0 0 181.279 2.425 10 30 AEEERN C/C=C/C(=O)CCc1ccc(O)cc1 308339071 573271877 /nfs/dbraw/zinc/27/18/77/573271877.db2.gz WMKOIKXQGWTYNC-NSCUHMNNSA-N 0 0 190.242 2.470 10 30 AEEERN C=C(CO)CC1CCSCC1 258273772 573271959 /nfs/dbraw/zinc/27/19/59/573271959.db2.gz SBRQNCAJTYRVRD-UHFFFAOYSA-N 0 0 172.293 2.068 10 30 AEEERN C/C=C\[C@@H]1OC(C)(C)O[C@@H]1CCC=O 308337423 573271967 /nfs/dbraw/zinc/27/19/67/573271967.db2.gz RMRKJHNCERSKHJ-RRAVTNDYSA-N 0 0 198.262 2.062 10 30 AEEERN C=C(CC=O)c1cccc(OC)c1 258269148 573271998 /nfs/dbraw/zinc/27/19/98/573271998.db2.gz RTRSMHKPOSFKPK-UHFFFAOYSA-N 0 0 176.215 2.297 10 30 AEEERN Nc1cccc(/C=C2\CCCC2=O)c1 308338490 573272094 /nfs/dbraw/zinc/27/20/94/573272094.db2.gz UNWFCCWZIMCXBP-JXMROGBWSA-N 0 0 187.242 2.405 10 30 AEEERN C#CC[C@H](CC)NC(=O)[C@H](C)C(C)C 126030444 573272108 /nfs/dbraw/zinc/27/21/08/573272108.db2.gz XKASRIDOOOIQQC-MNOVXSKESA-N 0 0 195.306 2.197 10 30 AEEERN Cc1c(O)cccc1[C@H](C)CC=O 257988560 573272217 /nfs/dbraw/zinc/27/22/17/573272217.db2.gz KIRRJEXLSKJUPI-MRVPVSSYSA-N 0 0 178.231 2.393 10 30 AEEERN CC1=CC(=O)c2c(C)ccc(O)c21 105590287 573272220 /nfs/dbraw/zinc/27/22/20/573272220.db2.gz WOHXOIDYIHSBMU-UHFFFAOYSA-N 0 0 174.199 2.300 10 30 AEEERN Cc1cc(Cl)cc(CCC=O)c1O 257987806 573272255 /nfs/dbraw/zinc/27/22/55/573272255.db2.gz BBDFJQNUCRNEIA-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN C=C1CCC([C@H](C)CO)CC1 142475991 573274071 /nfs/dbraw/zinc/27/40/71/573274071.db2.gz HXSUWRNHJVTUAL-SECBINFHSA-N 0 0 154.253 2.361 10 30 AEEERN Cc1cc(F)ccc1OCCC=O 129251720 573273532 /nfs/dbraw/zinc/27/35/32/573273532.db2.gz JYWYJMWUYLUAJS-UHFFFAOYSA-N 0 0 182.194 2.102 10 30 AEEERN O=CC[C@H]1Cc2cc(F)ccc2S1 258269396 573273596 /nfs/dbraw/zinc/27/35/96/573273596.db2.gz YWZNYSFXTJGKRH-VIFPVBQESA-N 0 0 196.246 2.432 10 30 AEEERN C=CCCOC(=O)[C@H]1C=CCCC1 308339387 573273757 /nfs/dbraw/zinc/27/37/57/573273757.db2.gz QCVQHZWXYFAPGQ-JTQLQIEISA-N 0 0 180.247 2.462 10 30 AEEERN C=C[C@H](C)C(=O)Nc1ccccc1 142434544 573273795 /nfs/dbraw/zinc/27/37/95/573273795.db2.gz WCHXCHUYHPVPQK-VIFPVBQESA-N 0 0 175.231 2.447 10 30 AEEERN C#CC[C@@H](CC)NC(=O)[C@@H](C)C(C)C 126030281 573273869 /nfs/dbraw/zinc/27/38/69/573273869.db2.gz XKASRIDOOOIQQC-WDEREUQCSA-N 0 0 195.306 2.197 10 30 AEEERN COC[C@@H]1CC(C)=C(C)C[C@H]1C=O 238329910 573273963 /nfs/dbraw/zinc/27/39/63/573273963.db2.gz YQPXBCGRHRCANR-QWRGUYRKSA-N 0 0 182.263 2.194 10 30 AEEERN N#Cc1csc2cc(N)cc(F)c12 306889150 573274782 /nfs/dbraw/zinc/27/47/82/573274782.db2.gz SUUCWSYTOWQVJB-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN COc1ccc([C@H]2O[C@H]2C)cc1C 258618133 573274820 /nfs/dbraw/zinc/27/48/20/573274820.db2.gz BECIWLPHRNXWNE-KWQFWETISA-N 0 0 178.231 2.463 10 30 AEEERN C/C(=N/O)c1ccc(F)cc1F 105626055 573274834 /nfs/dbraw/zinc/27/48/34/573274834.db2.gz OHLLRZWRSGPPIJ-WZUFQYTHSA-N 0 0 171.146 2.163 10 30 AEEERN Cc1c(O)cccc1[C@@H](C)CC=O 257988564 573274884 /nfs/dbraw/zinc/27/48/84/573274884.db2.gz KIRRJEXLSKJUPI-QMMMGPOBSA-N 0 0 178.231 2.393 10 30 AEEERN CCOC1=CCC(C)(C)CC1=O 142498149 573274896 /nfs/dbraw/zinc/27/48/96/573274896.db2.gz PZVAVZZWSQKRCX-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN Cc1cc(C2CCCC2)nc(C#N)n1 259063397 573276379 /nfs/dbraw/zinc/27/63/79/573276379.db2.gz KIDFEDPHXCVZAG-UHFFFAOYSA-N 0 0 187.246 2.314 10 30 AEEERN CCc1cc(F)ccc1CC#N 238330828 573276927 /nfs/dbraw/zinc/27/69/27/573276927.db2.gz GCBDBKIFMQZAOL-UHFFFAOYSA-N 0 0 163.195 2.454 10 30 AEEERN COc1cccc(CCC=O)c1C 257990733 573276968 /nfs/dbraw/zinc/27/69/68/573276968.db2.gz KPAOQNUOPJPNSY-UHFFFAOYSA-N 0 0 178.231 2.135 10 30 AEEERN C=C[C@@H](C)OC(=O)c1scnc1C 308344368 573291519 /nfs/dbraw/zinc/29/15/19/573291519.db2.gz UDXAJNHDUVLLMM-ZCFIWIBFSA-N 0 0 197.259 2.183 10 30 AEEERN C=C(C)COc1cccc(CCO)c1 257993954 573291529 /nfs/dbraw/zinc/29/15/29/573291529.db2.gz FSQPRPQSUVBHIY-UHFFFAOYSA-N 0 0 192.258 2.176 10 30 AEEERN C=C[C@H](C)OC(=O)c1scnc1C 308344367 573291561 /nfs/dbraw/zinc/29/15/61/573291561.db2.gz UDXAJNHDUVLLMM-LURJTMIESA-N 0 0 197.259 2.183 10 30 AEEERN Cc1cccc(-n2ccc(C#N)n2)c1 259070454 573291714 /nfs/dbraw/zinc/29/17/14/573291714.db2.gz OFMFAOSZDCYWKH-UHFFFAOYSA-N 0 0 183.214 2.052 10 30 AEEERN CCC[C@@]1(C#N)C[C@H]1C 259072522 573291764 /nfs/dbraw/zinc/29/17/64/573291764.db2.gz YIKOCRGYBDOFRL-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN N[C@H](S)c1cc(Cl)ccc1F 259404907 573292026 /nfs/dbraw/zinc/29/20/26/573292026.db2.gz LYEAQGGMAJIXOF-SSDOTTSWSA-N 0 0 191.658 2.366 10 30 AEEERN SCc1cnc2cc(Cl)ccn12 258622078 573292031 /nfs/dbraw/zinc/29/20/31/573292031.db2.gz UWBDTQYSKANVEY-UHFFFAOYSA-N 0 0 198.678 2.418 10 30 AEEERN Cc1cc(NC(C)(C)C)cc(C#N)n1 307037922 573294916 /nfs/dbraw/zinc/29/49/16/573294916.db2.gz ZWQGJGPKKVXEJN-UHFFFAOYSA-N 0 0 189.262 2.472 10 30 AEEERN Cc1cccc2c1[C@H](CC=O)CN2 257996165 573294978 /nfs/dbraw/zinc/29/49/78/573294978.db2.gz BSYSLZOEQUAFCR-SECBINFHSA-N 0 0 175.231 2.093 10 30 AEEERN O=C[C@@H](O)c1ccc2ccccc2c1 116563101 573294389 /nfs/dbraw/zinc/29/43/89/573294389.db2.gz HWZJXYOBTUVJDG-GFCCVEGCSA-N 0 0 186.210 2.072 10 30 AEEERN Cc1ccc(Cl)cc1NC(=O)C#N 258621893 573294398 /nfs/dbraw/zinc/29/43/98/573294398.db2.gz CILCHFYPZJRKSZ-UHFFFAOYSA-N 0 0 194.621 2.111 10 30 AEEERN CCCCCCCOC[C@](C)(N)C#N 106089625 573294443 /nfs/dbraw/zinc/29/44/43/573294443.db2.gz GEOVUYYFKNFOAR-LLVKDONJSA-N 0 0 198.310 2.214 10 30 AEEERN CCOc1nc2ccc(C#N)cc2o1 306893808 573294510 /nfs/dbraw/zinc/29/45/10/573294510.db2.gz JYTFBASIZPFJFC-UHFFFAOYSA-N 0 0 188.186 2.098 10 30 AEEERN CC[C@H]1CNc2cc(C#N)ccc2O1 84768139 573294588 /nfs/dbraw/zinc/29/45/88/573294588.db2.gz WYVYMHOBNCIGQQ-VIFPVBQESA-N 0 0 188.230 2.141 10 30 AEEERN CCSc1cc(C#N)nc(CC)n1 307037613 573294658 /nfs/dbraw/zinc/29/46/58/573294658.db2.gz ZISFAWUXESAVEP-UHFFFAOYSA-N 0 0 193.275 2.023 10 30 AEEERN COc1ccc(F)cc1/C(C)=N/O 106040101 573294695 /nfs/dbraw/zinc/29/46/95/573294695.db2.gz NHHOJARECWGMOY-IZZDOVSWSA-N 0 0 183.182 2.033 10 30 AEEERN CCN1C[C@@H](CC=O)c2ccccc21 257997196 573294767 /nfs/dbraw/zinc/29/47/67/573294767.db2.gz FZAHWQFKJIIQDF-SNVBAGLBSA-N 0 0 189.258 2.199 10 30 AEEERN CC[C@H]1CNc2ccc(C#N)cc2O1 84768153 573295580 /nfs/dbraw/zinc/29/55/80/573295580.db2.gz KFCQYGZXILYGTH-VIFPVBQESA-N 0 0 188.230 2.141 10 30 AEEERN O=C(CCS)Nc1cccs1 258622851 573295742 /nfs/dbraw/zinc/29/57/42/573295742.db2.gz CLNWLHHAPCJVAS-UHFFFAOYSA-N 0 0 187.289 2.007 10 30 AEEERN N#Cc1cc(F)c(F)cc1CF 306896480 573295779 /nfs/dbraw/zinc/29/57/79/573295779.db2.gz PXRUVWFDGPVWFW-UHFFFAOYSA-N 0 0 171.121 2.306 10 30 AEEERN N#Cc1cc2c(C#N)ccc(N)c2s1 306898802 573295852 /nfs/dbraw/zinc/29/58/52/573295852.db2.gz YDIYEGWYFFILEV-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN N#C[C@H]1CCCC[C@H]1SC1COC1 86195215 573295871 /nfs/dbraw/zinc/29/58/71/573295871.db2.gz WCESRBHSLGIWJR-PSASIEDQSA-N 0 0 197.303 2.201 10 30 AEEERN CC[C@@H]1CNc2cc(C#N)ccc2O1 84768137 573295922 /nfs/dbraw/zinc/29/59/22/573295922.db2.gz WYVYMHOBNCIGQQ-SECBINFHSA-N 0 0 188.230 2.141 10 30 AEEERN CC[C@H]1CNc2cccc(C#N)c2O1 84768165 573296046 /nfs/dbraw/zinc/29/60/46/573296046.db2.gz RODJAOKDSXLMJV-VIFPVBQESA-N 0 0 188.230 2.141 10 30 AEEERN CCCCCCCOC[C@@](C)(N)C#N 106089628 573296054 /nfs/dbraw/zinc/29/60/54/573296054.db2.gz GEOVUYYFKNFOAR-NSHDSACASA-N 0 0 198.310 2.214 10 30 AEEERN COCc1cccc(CCC=O)c1F 257996575 573296129 /nfs/dbraw/zinc/29/61/29/573296129.db2.gz FZFIAVXXWBMXDR-UHFFFAOYSA-N 0 0 196.221 2.104 10 30 AEEERN Cc1ccc([C@@H](O)CS)c(C)c1 259073209 573298201 /nfs/dbraw/zinc/29/82/01/573298201.db2.gz FJWMJOLXTHLEIG-JTQLQIEISA-N 0 0 182.288 2.267 10 30 AEEERN COc1c(O)cc(C)c(C#N)c1Cl 257999052 573298246 /nfs/dbraw/zinc/29/82/46/573298246.db2.gz GIMDJKDZYLEELO-UHFFFAOYSA-N 0 0 197.621 2.234 10 30 AEEERN N#Cc1ccc(F)c2scc(N)c12 307033648 573298500 /nfs/dbraw/zinc/29/85/00/573298500.db2.gz SZCUOALVDCXHTM-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN O=CCCc1ccc2cc[nH]c2c1 257998698 573298541 /nfs/dbraw/zinc/29/85/41/573298541.db2.gz LNNCCCNJGFSODY-UHFFFAOYSA-N 0 0 173.215 2.299 10 30 AEEERN Cc1ccccc1CC1(C#N)COC1 259073118 573298545 /nfs/dbraw/zinc/29/85/45/573298545.db2.gz HFMLTOWFZYUCNX-UHFFFAOYSA-N 0 0 187.242 2.078 10 30 AEEERN N#Cc1cc2nc[nH]c2cc1C(F)F 306907852 573298552 /nfs/dbraw/zinc/29/85/52/573298552.db2.gz DNBSLCXGIMCVDY-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN N#Cc1ccc(C2CSC2)cc1 257998743 573298640 /nfs/dbraw/zinc/29/86/40/573298640.db2.gz LOJXNGPOBWHLOF-UHFFFAOYSA-N 0 0 175.256 2.389 10 30 AEEERN C=C[C@H](C)OC(=O)[C@@H]1CC12CCC2 308342238 573298736 /nfs/dbraw/zinc/29/87/36/573298736.db2.gz RRCYMRXLBQXZPG-IUCAKERBSA-N 0 0 180.247 2.294 10 30 AEEERN C[C@@H]1[C@H](C#N)CCN1Cc1ccco1 259407552 573298864 /nfs/dbraw/zinc/29/88/64/573298864.db2.gz YJVUENWMJVPUEG-ZJUUUORDSA-N 0 0 190.246 2.014 10 30 AEEERN CO[C@H](C)c1ccc(CC#N)cc1 257998881 573298884 /nfs/dbraw/zinc/29/88/84/573298884.db2.gz LQBJOWMPDSKNNI-SECBINFHSA-N 0 0 175.231 2.460 10 30 AEEERN FC(F)CON=C1CCCSC1 393514691 573298963 /nfs/dbraw/zinc/29/89/63/573298963.db2.gz KODFLBNNBAKOIY-UHFFFAOYSA-N 0 0 195.234 2.151 10 30 AEEERN CC(C)c1cccc(N)c1CC#N 259605736 573299095 /nfs/dbraw/zinc/29/90/95/573299095.db2.gz GVHACKLDACVVGB-UHFFFAOYSA-N 0 0 174.247 2.458 10 30 AEEERN CCc1cc(O)ccc1CC#N 238336809 573299118 /nfs/dbraw/zinc/29/91/18/573299118.db2.gz YFGJSLABZGELQU-UHFFFAOYSA-N 0 0 161.204 2.021 10 30 AEEERN N#Cc1cnccc1N[C@H]1C[C@@H]1C1CC1 308856350 573299173 /nfs/dbraw/zinc/29/91/73/573299173.db2.gz PXUXVOIOOGSVOU-PWSUYJOCSA-N 0 0 199.257 2.164 10 30 AEEERN Cc1ccc(F)c(O[C@H](C)C#N)c1 82939738 573299212 /nfs/dbraw/zinc/29/92/12/573299212.db2.gz FVECRFLHMQESSI-MRVPVSSYSA-N 0 0 179.194 2.425 10 30 AEEERN CCc1cc(O)c(F)c(CC#N)c1 238335369 573299229 /nfs/dbraw/zinc/29/92/29/573299229.db2.gz YSFSSUMVILTQSQ-UHFFFAOYSA-N 0 0 179.194 2.160 10 30 AEEERN CC(C)CC=NN1CCCCC1=O 393582554 573299281 /nfs/dbraw/zinc/29/92/81/573299281.db2.gz KNCJYZKWQSMDAQ-UHFFFAOYSA-N 0 0 182.267 2.031 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@@H]1CC12CCC2 308342231 573299309 /nfs/dbraw/zinc/29/93/09/573299309.db2.gz RRCYMRXLBQXZPG-BDAKNGLRSA-N 0 0 180.247 2.294 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H]1CC12CCC2 308342243 573302236 /nfs/dbraw/zinc/30/22/36/573302236.db2.gz RRCYMRXLBQXZPG-RKDXNWHRSA-N 0 0 180.247 2.294 10 30 AEEERN COc1cc(C(F)F)c(C#N)nc1C 238338621 573302321 /nfs/dbraw/zinc/30/23/21/573302321.db2.gz DCJJTRGIQXSBBM-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN COC(=O)CCC/C=C\C(C)(C)C=O 145533267 573302355 /nfs/dbraw/zinc/30/23/55/573302355.db2.gz RALLQZILTDSHEX-VURMDHGXSA-N 0 0 198.262 2.111 10 30 AEEERN CCc1cc(C#N)nc(CC)c1 221350612 573302362 /nfs/dbraw/zinc/30/23/62/573302362.db2.gz KDKUUYYOAHAIKP-UHFFFAOYSA-N 0 0 160.220 2.078 10 30 AEEERN C=C[C@H](O)c1ccc(OC)cc1C 238338924 573302398 /nfs/dbraw/zinc/30/23/98/573302398.db2.gz ZJTXEWQGQJBYEA-NSHDSACASA-N 0 0 178.231 2.223 10 30 AEEERN C=C(Cl)[C@H](O)c1ccc(OC)cc1 238338709 573302418 /nfs/dbraw/zinc/30/24/18/573302418.db2.gz NCUQELYNDAODDR-JTQLQIEISA-N 0 0 198.649 2.481 10 30 AEEERN COc1cccc2nc(C#N)ccc12 238339098 573302428 /nfs/dbraw/zinc/30/24/28/573302428.db2.gz GONUWYVHIMSINA-UHFFFAOYSA-N 0 0 184.198 2.115 10 30 AEEERN C=CC[C@@H](C)[C@H](C)C(C)=O 715757618 573302479 /nfs/dbraw/zinc/30/24/79/573302479.db2.gz OKNVNWZBJSJIMU-SFYZADRCSA-N 0 0 140.226 2.424 10 30 AEEERN CC(C)c1c[nH]cc1C#N 258623854 573302509 /nfs/dbraw/zinc/30/25/09/573302509.db2.gz QKOQDQJIGGUIMG-UHFFFAOYSA-N 0 0 134.182 2.010 10 30 AEEERN SCc1nc(C2CCCC2)c[nH]1 259076824 573302571 /nfs/dbraw/zinc/30/25/71/573302571.db2.gz LGTHIRSTTHACTA-UHFFFAOYSA-N 0 0 182.292 2.497 10 30 AEEERN Cc1cccc(-c2cnn(C)c2C#N)c1 259410279 573302683 /nfs/dbraw/zinc/30/26/83/573302683.db2.gz KKRGRRSLGUVIIM-UHFFFAOYSA-N 0 0 197.241 2.267 10 30 AEEERN C#Cc1c(Cl)ccnc1C 209767452 573302796 /nfs/dbraw/zinc/30/27/96/573302796.db2.gz JYLVZBDZEFXOLX-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN CCC1(CN(C)[C@@H](C)C#N)CCC1 308342977 573302799 /nfs/dbraw/zinc/30/27/99/573302799.db2.gz SDPMLEGLLNRVQC-JTQLQIEISA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C#N)N1CCc2ccccc21 259077432 573303003 /nfs/dbraw/zinc/30/30/03/573303003.db2.gz XUWOTBHCCZUCIJ-UHFFFAOYSA-N 0 0 186.258 2.351 10 30 AEEERN CCC1(CN(C)[C@H](C)C#N)CCC1 308342978 573303272 /nfs/dbraw/zinc/30/32/72/573303272.db2.gz SDPMLEGLLNRVQC-SNVBAGLBSA-N 0 0 180.295 2.411 10 30 AEEERN C#CC[C@H](C)Nc1cc2cc[nH]c2cn1 308887671 573303286 /nfs/dbraw/zinc/30/32/86/573303286.db2.gz WKLOWPWUUSQGPF-VIFPVBQESA-N 0 0 199.257 2.387 10 30 AEEERN CCc1cc(CC)n(CCCC#N)n1 132491163 573303302 /nfs/dbraw/zinc/30/33/02/573303302.db2.gz YBAIEMZLWIMASI-UHFFFAOYSA-N 0 0 191.278 2.312 10 30 AEEERN Cc1nc2cc([C@H]3O[C@@H]3C)ccc2[nH]1 259410515 573303317 /nfs/dbraw/zinc/30/33/17/573303317.db2.gz SQLOFYZZNSLVHC-KBUNVGBDSA-N 0 0 188.230 2.331 10 30 AEEERN N#Cc1ccnc(N[C@@H]2CC[C@H]3C[C@H]32)c1 308856975 573303402 /nfs/dbraw/zinc/30/34/02/573303402.db2.gz RNZXCQGRJBOFJL-HBNTYKKESA-N 0 0 199.257 2.164 10 30 AEEERN CCO[C@@H]1C[C@@H]1C(=O)C1=CCCCC1 690041333 573303414 /nfs/dbraw/zinc/30/34/14/573303414.db2.gz CZBRGAZYYNSJIY-WDEREUQCSA-N 0 0 194.274 2.481 10 30 AEEERN C#CCCC[C@H](NN)C1(CCC)CC1 308545769 573313970 /nfs/dbraw/zinc/31/39/70/573313970.db2.gz PNRIXNQKTYQJBU-NSHDSACASA-N 0 0 194.322 2.202 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@H](OC)C(C)C 715770694 573313614 /nfs/dbraw/zinc/31/36/14/573313614.db2.gz CSDMRIQOLACVGD-MWLCHTKSSA-N 0 0 184.279 2.439 10 30 AEEERN C#Cc1ccc(Cl)c(C)n1 209763652 573313792 /nfs/dbraw/zinc/31/37/92/573313792.db2.gz UHJZSLXSMSTSPG-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C=C(CCO)C[C@@H]1CCCSC1 258001088 573313864 /nfs/dbraw/zinc/31/38/64/573313864.db2.gz ALQMWQLVJDTSTH-JTQLQIEISA-N 0 0 186.320 2.458 10 30 AEEERN C#Cc1cc(C)cnc1Cl 209760833 573313871 /nfs/dbraw/zinc/31/38/71/573313871.db2.gz NRAIBVMVLLGGBJ-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN C=CCCCCCCn1cc[nH]c1=O 308546112 573313877 /nfs/dbraw/zinc/31/38/77/573313877.db2.gz PQYOYEJVYBUNLD-UHFFFAOYSA-N 0 0 194.278 2.313 10 30 AEEERN C#Cc1cc(C)ncc1Cl 209766214 573314499 /nfs/dbraw/zinc/31/44/99/573314499.db2.gz LUBCMZMTVRNYMN-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN N#Cc1cc(N[C@H]2C[C@H]2C2CC2)ccn1 308859152 573314517 /nfs/dbraw/zinc/31/45/17/573314517.db2.gz XLVURCHXIRGHGB-RYUDHWBXSA-N 0 0 199.257 2.164 10 30 AEEERN C#Cc1cnc(C)cc1Cl 209765204 573314575 /nfs/dbraw/zinc/31/45/75/573314575.db2.gz NFJCTDIKIIDNGO-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN N#CCc1nc2ccc(F)cc2o1 74308410 573314847 /nfs/dbraw/zinc/31/48/47/573314847.db2.gz LQMDPFNXLJCCJT-UHFFFAOYSA-N 0 0 176.150 2.033 10 30 AEEERN CCOc1ccc(NCS)cc1 258626395 573314883 /nfs/dbraw/zinc/31/48/83/573314883.db2.gz KCOJAQQKDKFVMD-UHFFFAOYSA-N 0 0 183.276 2.385 10 30 AEEERN O=CCc1sccc1Cl 117219496 573324201 /nfs/dbraw/zinc/32/42/01/573324201.db2.gz QQSZTSXZMMRFTD-UHFFFAOYSA-N 0 0 160.625 2.143 10 30 AEEERN N#Cc1c(N)ccc2c1SC(=O)C2 306602051 573324207 /nfs/dbraw/zinc/32/42/07/573324207.db2.gz BESVCKVBUNDWSE-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=C(CC)C[C@@H](O)c1ncc(C)cn1 132627540 573324236 /nfs/dbraw/zinc/32/42/36/573324236.db2.gz XJFGQURPVDPQLW-SNVBAGLBSA-N 0 0 192.262 2.175 10 30 AEEERN N#Cc1ccc(CCC2(O)CC2)cc1 259418319 573324273 /nfs/dbraw/zinc/32/42/73/573324273.db2.gz MUFZLSZNWDPAPQ-UHFFFAOYSA-N 0 0 187.242 2.016 10 30 AEEERN C[C@@H]1C[C@H]1c1ccc(CC=O)o1 82954671 573324504 /nfs/dbraw/zinc/32/45/04/573324504.db2.gz WRLOMXCHAKSQER-VXNVDRBHSA-N 0 0 164.204 2.144 10 30 AEEERN CC[C@H](C)c1ccnc(C#N)c1 306259139 573324518 /nfs/dbraw/zinc/32/45/18/573324518.db2.gz ZSESPRWRXCRXOY-QMMMGPOBSA-N 0 0 160.220 2.467 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@H](OC)C1CC1 715772096 573324799 /nfs/dbraw/zinc/32/47/99/573324799.db2.gz IBOJEVHAZBVXRL-LDYMZIIASA-N 0 0 182.263 2.193 10 30 AEEERN C/C(=N/N)c1coc2ccccc12 78008600 573324818 /nfs/dbraw/zinc/32/48/18/573324818.db2.gz VTOABOUAAVHHPH-GHXNOFRVSA-N 0 0 174.203 2.116 10 30 AEEERN Cc1cc(CC=O)c(C)s1 82954674 573325052 /nfs/dbraw/zinc/32/50/52/573325052.db2.gz HNVIQOATELCNKG-UHFFFAOYSA-N 0 0 154.234 2.106 10 30 AEEERN CN[C@H](S)c1ccc2c(c1)CCC2 259417853 573325136 /nfs/dbraw/zinc/32/51/36/573325136.db2.gz NJHVXLSZASINIA-LLVKDONJSA-N 0 0 193.315 2.323 10 30 AEEERN CC[C@@H](C#N)NCc1ccc(C)s1 50225487 573325607 /nfs/dbraw/zinc/32/56/07/573325607.db2.gz MLNZESOXUYWZEO-VIFPVBQESA-N 0 0 194.303 2.448 10 30 AEEERN O=CC[C@@H](F)C1CCCC1 258629577 573325704 /nfs/dbraw/zinc/32/57/04/573325704.db2.gz XOSXUEZYDLDKRN-MRVPVSSYSA-N 0 0 144.189 2.104 10 30 AEEERN CNc1ccccc/c1=N/N=C(C)C 238344187 573325717 /nfs/dbraw/zinc/32/57/17/573325717.db2.gz IDAAAHAMICPDRJ-UHFFFAOYSA-N 0 0 189.262 2.025 10 30 AEEERN CC[C@H](C#N)NCc1ccc(C)s1 50225488 573325735 /nfs/dbraw/zinc/32/57/35/573325735.db2.gz MLNZESOXUYWZEO-SECBINFHSA-N 0 0 194.303 2.448 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@@H](OC)C1CC1 715772086 573325755 /nfs/dbraw/zinc/32/57/55/573325755.db2.gz IBOJEVHAZBVXRL-KCJUWKMLSA-N 0 0 182.263 2.193 10 30 AEEERN N#CCC(F)(F)c1ccc(O)cc1 259606819 573325879 /nfs/dbraw/zinc/32/58/79/573325879.db2.gz DLRVCOYENXFKLJ-UHFFFAOYSA-N 0 0 183.157 2.398 10 30 AEEERN C[C@H]1C[C@@H]1c1ccc(CC=O)o1 82954670 573325882 /nfs/dbraw/zinc/32/58/82/573325882.db2.gz WRLOMXCHAKSQER-CBAPKCEASA-N 0 0 164.204 2.144 10 30 AEEERN C=CCCC[C@@H](O)c1ncc(C)cn1 132603224 573325947 /nfs/dbraw/zinc/32/59/47/573325947.db2.gz JVOWRORGUFJSHD-SNVBAGLBSA-N 0 0 192.262 2.175 10 30 AEEERN N#CCCCC/C=C/[C@@H]1C[C@H]1C=O 238646026 573326008 /nfs/dbraw/zinc/32/60/08/573326008.db2.gz VSDZFTJICDOAMW-MRUFAENASA-N 0 0 177.247 2.462 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H]1CCCOC1 715772582 573326016 /nfs/dbraw/zinc/32/60/16/573326016.db2.gz JFQZWZXWVGHUSQ-VHSXEESVSA-N 0 0 182.263 2.194 10 30 AEEERN CN[C@@H](S)c1ccc2c(c1)CCC2 259417857 573326041 /nfs/dbraw/zinc/32/60/41/573326041.db2.gz NJHVXLSZASINIA-NSHDSACASA-N 0 0 193.315 2.323 10 30 AEEERN C=C(CC=O)c1ccc(OC)cc1 258004846 573326113 /nfs/dbraw/zinc/32/61/13/573326113.db2.gz APOFYYUOMUXQNN-UHFFFAOYSA-N 0 0 176.215 2.297 10 30 AEEERN C=C(C)CC(=O)C[C@H](O)CCC 215161215 573326150 /nfs/dbraw/zinc/32/61/50/573326150.db2.gz JDCYUDSZPLLORP-SECBINFHSA-N 0 0 170.252 2.073 10 30 AEEERN C=CC[C@H](C)C(=O)[C@@H](OC)C1CC1 715772089 573326152 /nfs/dbraw/zinc/32/61/52/573326152.db2.gz IBOJEVHAZBVXRL-KWQFWETISA-N 0 0 182.263 2.193 10 30 AEEERN COc1cc(C#N)ccc1-n1cccc1 135532272 573326173 /nfs/dbraw/zinc/32/61/73/573326173.db2.gz LSCGLVLLJMATSI-UHFFFAOYSA-N 0 0 198.225 2.358 10 30 AEEERN COc1c(C#N)ccc2ccoc12 238343970 573326186 /nfs/dbraw/zinc/32/61/86/573326186.db2.gz UXPIRQNAYOGHJJ-UHFFFAOYSA-N 0 0 173.171 2.313 10 30 AEEERN C=CC[C@H](C)C(=O)[C@H]1CCCOC1 715772575 573326246 /nfs/dbraw/zinc/32/62/46/573326246.db2.gz JFQZWZXWVGHUSQ-UWVGGRQHSA-N 0 0 182.263 2.194 10 30 AEEERN CCc1cc(CC)n(CCCS)n1 132643805 573326466 /nfs/dbraw/zinc/32/64/66/573326466.db2.gz PEXUFFWEOJIYHJ-UHFFFAOYSA-N 0 0 198.335 2.328 10 30 AEEERN CO[C@H]1CCC(=O)C(=C(C)C)C1 238344152 573326522 /nfs/dbraw/zinc/32/65/22/573326522.db2.gz NVJAYOSTBIHTLD-QMMMGPOBSA-N 0 0 168.236 2.091 10 30 AEEERN C=CCn1nc(CC)cc1CC 132631443 573326534 /nfs/dbraw/zinc/32/65/34/573326534.db2.gz SEFXVMZFMCMIEU-UHFFFAOYSA-N 0 0 164.252 2.194 10 30 AEEERN COc1c(C)c(C)cc(C)c1C#N 259419209 573326563 /nfs/dbraw/zinc/32/65/63/573326563.db2.gz YEGQUCIBBWKCFI-UHFFFAOYSA-N 0 0 175.231 2.492 10 30 AEEERN CNc1nc(CC(C)C)c(C#N)s1 259417736 573326589 /nfs/dbraw/zinc/32/65/89/573326589.db2.gz YQSVAIGMTWYTTE-UHFFFAOYSA-N 0 0 195.291 2.255 10 30 AEEERN O=CC[C@H](F)C1CCCC1 258629578 573326710 /nfs/dbraw/zinc/32/67/10/573326710.db2.gz XOSXUEZYDLDKRN-QMMMGPOBSA-N 0 0 144.189 2.104 10 30 AEEERN C=CC[C@@H](O)C1=CCCCC1 143566369 573326779 /nfs/dbraw/zinc/32/67/79/573326779.db2.gz ZEYVUBUCMZCWIN-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)c1ncnc2oc(C#N)cc12 259419552 573327018 /nfs/dbraw/zinc/32/70/18/573327018.db2.gz SGHCFEVILPVYAK-UHFFFAOYSA-N 0 0 187.202 2.218 10 30 AEEERN N#Cc1ccc2c(C#N)c(N)sc2c1 306916982 573328655 /nfs/dbraw/zinc/32/86/55/573328655.db2.gz XPYOGXDIGJBCPT-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C=C(CCO)Cc1cccc(F)c1 258002886 573328714 /nfs/dbraw/zinc/32/87/14/573328714.db2.gz AMNZGDDONYQDOV-UHFFFAOYSA-N 0 0 180.222 2.307 10 30 AEEERN Cc1ccc(C)c(-n2ccnc2C#N)c1 259418617 573328893 /nfs/dbraw/zinc/32/88/93/573328893.db2.gz KZERNDUAISFERW-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN CC[C@@H](C#N)NC1C(C)(C)C1(C)C 86240179 573328917 /nfs/dbraw/zinc/32/89/17/573328917.db2.gz IQMSGJFQDBBZGJ-QMMMGPOBSA-N 0 0 180.295 2.313 10 30 AEEERN N#C[C@@H](c1ccncc1)c1cc[nH]c1 259084974 573328972 /nfs/dbraw/zinc/32/89/72/573328972.db2.gz IRKFRLYJWUENEB-NSHDSACASA-N 0 0 183.214 2.065 10 30 AEEERN Cc1ccc(CN[C@@H](C)CC#N)s1 50225536 573329238 /nfs/dbraw/zinc/32/92/38/573329238.db2.gz RPWUZZOLORPEIC-QMMMGPOBSA-N 0 0 194.303 2.448 10 30 AEEERN C=CCCC(=O)c1ccc(OC)nc1 308550223 573329275 /nfs/dbraw/zinc/32/92/75/573329275.db2.gz XEQWZJLCJBNMSD-UHFFFAOYSA-N 0 0 191.230 2.239 10 30 AEEERN C[Si](C)(C)C#CC1=CCCC[C@H]1O 223023665 573329324 /nfs/dbraw/zinc/32/93/24/573329324.db2.gz SGHCIIQZEXVMBN-LLVKDONJSA-N 0 0 194.350 2.338 10 30 AEEERN Fc1cccc(OCCC[C@@H]2CO2)c1 308550289 573329358 /nfs/dbraw/zinc/32/93/58/573329358.db2.gz XGWKOHWSPOKAGQ-LLVKDONJSA-N 0 0 196.221 2.384 10 30 AEEERN N#C[C@H](c1ccncc1)c1cc[nH]c1 259084973 573329440 /nfs/dbraw/zinc/32/94/40/573329440.db2.gz IRKFRLYJWUENEB-LLVKDONJSA-N 0 0 183.214 2.065 10 30 AEEERN C=CC[C@H](C)N(CC#N)C(C)C 715773280 573329585 /nfs/dbraw/zinc/32/95/85/573329585.db2.gz LIJYKOKJHFGVSP-JTQLQIEISA-N 0 0 166.268 2.185 10 30 AEEERN C=C(C)[C@H](NCC)c1ncc(C)cn1 132707117 573329718 /nfs/dbraw/zinc/32/97/18/573329718.db2.gz LMKIJQOMIJIQTL-JTQLQIEISA-N 0 0 191.278 2.012 10 30 AEEERN Cc1ccc(CN[C@H](C)CC#N)s1 50225537 573329770 /nfs/dbraw/zinc/32/97/70/573329770.db2.gz RPWUZZOLORPEIC-MRVPVSSYSA-N 0 0 194.303 2.448 10 30 AEEERN Cc1cc2ncc(C#N)cc2s1 258002779 573331239 /nfs/dbraw/zinc/33/12/39/573331239.db2.gz MCLZXUZZJOWQIB-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN N#C[C@@H]1CCCO[C@@H]1C1CCCC1 86245234 573331252 /nfs/dbraw/zinc/33/12/52/573331252.db2.gz VWKJNFWUVLZMJK-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN CCCC[C@H]1OCCC[C@H]1C#N 86245174 573331276 /nfs/dbraw/zinc/33/12/76/573331276.db2.gz AYRRGOVQWKCQFJ-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN C[C@H]1C[C@@H]1CNc1cnccc1C#N 135534480 573331348 /nfs/dbraw/zinc/33/13/48/573331348.db2.gz OJQOOICQBJIOHM-WCBMZHEXSA-N 0 0 187.246 2.021 10 30 AEEERN CC(C)(C)C[C@H]1OCC[C@@H]1C#N 86245080 573331351 /nfs/dbraw/zinc/33/13/51/573331351.db2.gz XHBCPPJPYKFMKX-RKDXNWHRSA-N 0 0 167.252 2.351 10 30 AEEERN CCc1ccc(CC#N)cc1OC 238358900 573331354 /nfs/dbraw/zinc/33/13/54/573331354.db2.gz OACSSOMEMMZRNW-UHFFFAOYSA-N 0 0 175.231 2.324 10 30 AEEERN CCc1ccc([C@H]2OCC[C@H]2C#N)o1 86245154 573331388 /nfs/dbraw/zinc/33/13/88/573331388.db2.gz BQALEKGJJDTZSY-KWQFWETISA-N 0 0 191.230 2.443 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1C1CCCC1 86245134 573331442 /nfs/dbraw/zinc/33/14/42/573331442.db2.gz SEUYZKVUVRLKCP-VHSXEESVSA-N 0 0 165.236 2.105 10 30 AEEERN C=CC[C@H](O)C1=CCCCC1 143566237 573331452 /nfs/dbraw/zinc/33/14/52/573331452.db2.gz ZEYVUBUCMZCWIN-JTQLQIEISA-N 0 0 152.237 2.424 10 30 AEEERN CC1CC(Nc2ccc(C#N)nc2)C1 135543154 573331539 /nfs/dbraw/zinc/33/15/39/573331539.db2.gz DRGIRCSVYBJEIG-UHFFFAOYSA-N 0 0 187.246 2.164 10 30 AEEERN N#C[C@H]1CCO[C@@H]1Cc1ccccc1 86245060 573331634 /nfs/dbraw/zinc/33/16/34/573331634.db2.gz JPJWXOXTWSVPQA-VXGBXAGGSA-N 0 0 187.242 2.158 10 30 AEEERN CCC[C@@H]1OCCC[C@@H]1C#N 86245221 573331684 /nfs/dbraw/zinc/33/16/84/573331684.db2.gz WIEYAFAEOJJABM-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CC(C)(C)C[C@@H]1OCC[C@H]1C#N 86245079 573331701 /nfs/dbraw/zinc/33/17/01/573331701.db2.gz XHBCPPJPYKFMKX-IUCAKERBSA-N 0 0 167.252 2.351 10 30 AEEERN C[Si](C)(C)C#CC1=CCCC[C@@H]1O 223023594 573331706 /nfs/dbraw/zinc/33/17/06/573331706.db2.gz SGHCIIQZEXVMBN-NSHDSACASA-N 0 0 194.350 2.338 10 30 AEEERN C[C@@H]1C[C@H]1CNc1cnccc1C#N 135534501 573331752 /nfs/dbraw/zinc/33/17/52/573331752.db2.gz OJQOOICQBJIOHM-SCZZXKLOSA-N 0 0 187.246 2.021 10 30 AEEERN Cc1ccccc1Cc1cnc(C#N)o1 259608230 573331793 /nfs/dbraw/zinc/33/17/93/573331793.db2.gz GNUVUILDIFVRJD-UHFFFAOYSA-N 0 0 198.225 2.446 10 30 AEEERN CCCC[C@H]1OCC[C@H]1C#N 86245062 573331841 /nfs/dbraw/zinc/33/18/41/573331841.db2.gz KEEGDDKFANHJNL-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CCCC[C@@H]1OCCC[C@H]1C#N 86245175 573331888 /nfs/dbraw/zinc/33/18/88/573331888.db2.gz AYRRGOVQWKCQFJ-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1Cc1ccccc1 86245058 573331908 /nfs/dbraw/zinc/33/19/08/573331908.db2.gz JPJWXOXTWSVPQA-NWDGAFQWSA-N 0 0 187.242 2.158 10 30 AEEERN CCC(CC)[C@H]1OCC[C@@H]1C#N 86245068 573331942 /nfs/dbraw/zinc/33/19/42/573331942.db2.gz NYZYRSYEGZBYQL-NXEZZACHSA-N 0 0 167.252 2.351 10 30 AEEERN CCc1ccc([C@@H]2OCC[C@@H]2C#N)o1 86245157 573331948 /nfs/dbraw/zinc/33/19/48/573331948.db2.gz BQALEKGJJDTZSY-LDYMZIIASA-N 0 0 191.230 2.443 10 30 AEEERN C=CCCCNC(=O)C(C)=C(C)C 308346233 573334227 /nfs/dbraw/zinc/33/42/27/573334227.db2.gz VNRSSDCMTHVMRM-UHFFFAOYSA-N 0 0 181.279 2.425 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1C1CCCCC1 86245142 573334234 /nfs/dbraw/zinc/33/42/34/573334234.db2.gz IFROZRAJMUFCEU-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN CCC[C@H](C)[C@@H]1OCC[C@H]1C#N 86245097 573334284 /nfs/dbraw/zinc/33/42/84/573334284.db2.gz OGNGQMZKJKHRGQ-GUBZILKMSA-N 0 0 167.252 2.351 10 30 AEEERN C=C1C[C@H](O)c2ccc(OC)cc21 238358663 573334285 /nfs/dbraw/zinc/33/42/85/573334285.db2.gz DTSQPASRZRAHLV-NSHDSACASA-N 0 0 176.215 2.146 10 30 AEEERN N#C[C@@H]1CCO[C@H]1C1CCCCC1 86245143 573334303 /nfs/dbraw/zinc/33/43/03/573334303.db2.gz IFROZRAJMUFCEU-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN N#C[C@@H]1CCO[C@H]1[C@H]1CC=CCC1 86245073 573334356 /nfs/dbraw/zinc/33/43/56/573334356.db2.gz IVVYWXSNMCKUNN-DCAQKATOSA-N 0 0 177.247 2.271 10 30 AEEERN C=CC[C@@H](C=O)[C@H](C)CC 117422905 573334466 /nfs/dbraw/zinc/33/44/66/573334466.db2.gz MWQLKKBNYHRVHR-BDAKNGLRSA-N 0 0 140.226 2.424 10 30 AEEERN C=CC[C@H](O)CC1(COC)CCC1 308345198 573334506 /nfs/dbraw/zinc/33/45/06/573334506.db2.gz UTRUKNIPXZHOCX-JTQLQIEISA-N 0 0 184.279 2.130 10 30 AEEERN N#C[C@@H]1CCO[C@@H]1[C@@H]1CC=CCC1 86245070 573334550 /nfs/dbraw/zinc/33/45/50/573334550.db2.gz IVVYWXSNMCKUNN-OUAUKWLOSA-N 0 0 177.247 2.271 10 30 AEEERN CC[C@H](C)[C@@H]1OCCC[C@H]1C#N 86245169 573334648 /nfs/dbraw/zinc/33/46/48/573334648.db2.gz USGAGWBDFFEQCK-GUBZILKMSA-N 0 0 167.252 2.351 10 30 AEEERN C=CC[NH2+]CC[C@@H](CC)CCC(=O)[O-] 308559887 573334677 /nfs/dbraw/zinc/33/46/77/573334677.db2.gz DPQNHLAVRDLDNW-JTQLQIEISA-N 0 0 199.294 2.043 10 30 AEEERN N#C[C@H]1CCO[C@@H]1C1CCCCC1 86245144 573334685 /nfs/dbraw/zinc/33/46/85/573334685.db2.gz IFROZRAJMUFCEU-GHMZBOCLSA-N 0 0 179.263 2.495 10 30 AEEERN CCC[C@H]1OCCC[C@@H]1C#N 86245220 573334755 /nfs/dbraw/zinc/33/47/55/573334755.db2.gz WIEYAFAEOJJABM-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN Cc1nc2ccc(CC=O)cc2s1 259087582 573334757 /nfs/dbraw/zinc/33/47/57/573334757.db2.gz DGBRBFLSBUGELV-UHFFFAOYSA-N 0 0 191.255 2.346 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H]1CCC1(F)F 308349991 573334785 /nfs/dbraw/zinc/33/47/85/573334785.db2.gz XXUPRJRUQIQOCB-NKWVEPMBSA-N 0 0 190.189 2.149 10 30 AEEERN C=CC[NH2+]CC[C@H](CC)CCC(=O)[O-] 308559888 573334791 /nfs/dbraw/zinc/33/47/91/573334791.db2.gz DPQNHLAVRDLDNW-SNVBAGLBSA-N 0 0 199.294 2.043 10 30 AEEERN CC#CCCSCc1ncccn1 308349365 573337669 /nfs/dbraw/zinc/33/76/69/573337669.db2.gz XPGCRRAHCIJXQC-UHFFFAOYSA-N 0 0 192.287 2.123 10 30 AEEERN C[C@@H](NN=CC1(C)CCC1)C(F)F 308345213 573337679 /nfs/dbraw/zinc/33/76/79/573337679.db2.gz UUHLPADASANITP-SSDOTTSWSA-N 0 0 190.237 2.406 10 30 AEEERN CC(C)Cc1c[nH]c(CS)n1 259087571 573337702 /nfs/dbraw/zinc/33/77/02/573337702.db2.gz MOEYORDCGMWGHW-UHFFFAOYSA-N 0 0 170.281 2.038 10 30 AEEERN C=CC[C@@H](C)C(=O)C[C@H]1CCOC1 715774879 573337881 /nfs/dbraw/zinc/33/78/81/573337881.db2.gz RJGAZIJIWPKROA-NXEZZACHSA-N 0 0 182.263 2.194 10 30 AEEERN C#CCC1(OC(=O)NC)CCCCC1 238355817 573338142 /nfs/dbraw/zinc/33/81/42/573338142.db2.gz ORUZOZGLKVMSEO-UHFFFAOYSA-N 0 0 195.262 2.069 10 30 AEEERN COc1nc(C#N)cc(C(F)F)c1C 238355042 573338148 /nfs/dbraw/zinc/33/81/48/573338148.db2.gz CBGHEDWCHKYAGT-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=CC[C@H](C=O)CC(C)C 117407640 573338375 /nfs/dbraw/zinc/33/83/75/573338375.db2.gz BJFSILDDLFWLMM-VIFPVBQESA-N 0 0 140.226 2.424 10 30 AEEERN SC[C@@H]1CCc2ccccc2N1 258287629 573342094 /nfs/dbraw/zinc/34/20/94/573342094.db2.gz VPEKMEVZQFPHLX-VIFPVBQESA-N 0 0 179.288 2.343 10 30 AEEERN CC(C)C[C@H](C)OCCO[C@H](C)C#N 308555344 573342125 /nfs/dbraw/zinc/34/21/25/573342125.db2.gz RWADYYQZZRZDSY-WDEREUQCSA-N 0 0 199.294 2.366 10 30 AEEERN C=CC[C@@H](C)C(=O)[C@]1(C)CCCO1 715775448 573342141 /nfs/dbraw/zinc/34/21/41/573342141.db2.gz SOBGTKKJBJUVAR-KOLCDFICSA-N 0 0 182.263 2.337 10 30 AEEERN COc1c(C)cc(C(F)F)nc1C#N 238356971 573342212 /nfs/dbraw/zinc/34/22/12/573342212.db2.gz VCVSGVUICJWRPK-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN O=C[C@H]1COc2cccc(Cl)c21 258288565 573342271 /nfs/dbraw/zinc/34/22/71/573342271.db2.gz ZZWPOFJPTHLMQB-LURJTMIESA-N 0 0 182.606 2.015 10 30 AEEERN CCCN[C@@H](C#N)C1CCCC1 50272462 573342274 /nfs/dbraw/zinc/34/22/74/573342274.db2.gz LECNZRGFHMABJK-JTQLQIEISA-N 0 0 166.268 2.068 10 30 AEEERN Cc1ccc([C@](C)(O)CCC=O)cc1 308555539 573342369 /nfs/dbraw/zinc/34/23/69/573342369.db2.gz SAISVJUHLKWNBM-GFCCVEGCSA-N 0 0 192.258 2.182 10 30 AEEERN CC1(C)CC(/C=C/CCC=O)=C[C@@H]1O 308353241 573342383 /nfs/dbraw/zinc/34/23/83/573342383.db2.gz OGFJVNRUHIFWNU-MALLOTDXSA-N 0 0 194.274 2.239 10 30 AEEERN CCN(CC)[C@H](C#N)C1CCCC1 50272955 573342392 /nfs/dbraw/zinc/34/23/92/573342392.db2.gz RLQYKVGFUMIUTO-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN CCCCCn1cc(C=NO)c(C)n1 308353366 573342402 /nfs/dbraw/zinc/34/24/02/573342402.db2.gz VWBFWFIGJVOCMC-UHFFFAOYSA-N 0 0 195.266 2.190 10 30 AEEERN C[C@H]1CC(C)(C)C[C@@]1(O)CC#N 235562541 573342649 /nfs/dbraw/zinc/34/26/49/573342649.db2.gz ZTDHOLHJZMRWFU-WPRPVWTQSA-N 0 0 167.252 2.087 10 30 AEEERN CC(C)c1nc2c(cc1C#N)NCC2 259609146 573342767 /nfs/dbraw/zinc/34/27/67/573342767.db2.gz FTROKFDFEUDINH-UHFFFAOYSA-N 0 0 187.246 2.045 10 30 AEEERN CC[C@H](C#N)c1ccsc1N 107102482 573347107 /nfs/dbraw/zinc/34/71/07/573347107.db2.gz OTEOOFQLPNQNJA-ZCFIWIBFSA-N 0 0 166.249 2.347 10 30 AEEERN CC[C@@H](C#N)NC[C@@H]1CCCSC1 308359354 573347113 /nfs/dbraw/zinc/34/71/13/573347113.db2.gz LRMNCVFUTAHJRG-UWVGGRQHSA-N 0 0 198.335 2.021 10 30 AEEERN N#Cc1cc(N)ccc1NC1CC=CC1 135548827 573347140 /nfs/dbraw/zinc/34/71/40/573347140.db2.gz LOJGEYRLCWSZIY-UHFFFAOYSA-N 0 0 199.257 2.271 10 30 AEEERN C=C[C@H](O)CCc1ccc(C)o1 238468050 573347191 /nfs/dbraw/zinc/34/71/91/573347191.db2.gz VVCORKTXFFFCSB-VIFPVBQESA-N 0 0 166.220 2.068 10 30 AEEERN N#Cc1ccc(N)c(NC2CC=CC2)c1 135548851 573347271 /nfs/dbraw/zinc/34/72/71/573347271.db2.gz UVJZVVZMLYHUGH-UHFFFAOYSA-N 0 0 199.257 2.271 10 30 AEEERN CC(C)CN[C@H](C#N)C1CCCC1 50272501 573347319 /nfs/dbraw/zinc/34/73/19/573347319.db2.gz MNWAEYQSXFOPSN-LLVKDONJSA-N 0 0 180.295 2.314 10 30 AEEERN C#CCON[C@@H](C)c1cccc(C)c1 308557939 573347508 /nfs/dbraw/zinc/34/75/08/573347508.db2.gz CHDQGEKDGCPRDC-NSHDSACASA-N 0 0 189.258 2.210 10 30 AEEERN CC[C@H](C#N)NC[C@H]1CCCSC1 308359353 573347572 /nfs/dbraw/zinc/34/75/72/573347572.db2.gz LRMNCVFUTAHJRG-NXEZZACHSA-N 0 0 198.335 2.021 10 30 AEEERN C=C(CN(CCC)CC(F)F)OC 308360153 573347626 /nfs/dbraw/zinc/34/76/26/573347626.db2.gz LXTBBOWLBKCTNE-UHFFFAOYSA-N 0 0 193.237 2.124 10 30 AEEERN C#C[C@H](C)OCc1cccc(Cl)n1 235568339 573347639 /nfs/dbraw/zinc/34/76/39/573347639.db2.gz HCAMITIKUSTMEY-QMMMGPOBSA-N 0 0 195.649 2.273 10 30 AEEERN N#CCSCCOc1ccccc1 308358392 573347643 /nfs/dbraw/zinc/34/76/43/573347643.db2.gz BRICOSCKESNBFH-UHFFFAOYSA-N 0 0 193.271 2.322 10 30 AEEERN C=C(C)CN[C@H](C#N)c1ccccc1 308557016 573347678 /nfs/dbraw/zinc/34/76/78/573347678.db2.gz ZXCIQSIYRBIBEW-GFCCVEGCSA-N 0 0 186.258 2.417 10 30 AEEERN CC(C)CCCOCCO[C@@H](C)C#N 308556513 573347683 /nfs/dbraw/zinc/34/76/83/573347683.db2.gz SPCHOQWIRCPVLL-NSHDSACASA-N 0 0 199.294 2.368 10 30 AEEERN C=CCc1c(OC)cnn1C(C)C 126101158 573348044 /nfs/dbraw/zinc/34/80/44/573348044.db2.gz CFWSYBDXZWWLLB-UHFFFAOYSA-N 0 0 180.251 2.201 10 30 AEEERN CC(=O)/C=C\c1ccncc1Cl 231529483 573348045 /nfs/dbraw/zinc/34/80/45/573348045.db2.gz AYJMGBLHXFOPRA-IHWYPQMZSA-N 0 0 181.622 2.337 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H](C)[C@H](C)C=C 308351116 573348098 /nfs/dbraw/zinc/34/80/98/573348098.db2.gz YMIBBOJYBCFBBF-KXUCPTDWSA-N 0 0 181.279 2.135 10 30 AEEERN CCn1c(C#N)cnc1C1CCCC1 259424275 573348294 /nfs/dbraw/zinc/34/82/94/573348294.db2.gz SRSKBOAJCRXICC-UHFFFAOYSA-N 0 0 189.262 2.432 10 30 AEEERN N#CC[C@@H](NCCF)c1ccccc1 308556507 573348344 /nfs/dbraw/zinc/34/83/44/573348344.db2.gz SOXGMDCDMWYSFH-LLVKDONJSA-N 0 0 192.237 2.200 10 30 AEEERN C=C[C@H](C)NC(=O)[C@H](C)[C@@H](C)C=C 308351117 573348419 /nfs/dbraw/zinc/34/84/19/573348419.db2.gz YMIBBOJYBCFBBF-LPEHRKFASA-N 0 0 181.279 2.135 10 30 AEEERN N#CCCC(=O)c1ccc2[nH]cnc2c1 259424996 573348498 /nfs/dbraw/zinc/34/84/98/573348498.db2.gz UFCYTEQVIAHKSK-UHFFFAOYSA-N 0 0 199.213 2.049 10 30 AEEERN CCC/C(=C\CCC=O)C(=O)OCC 308359453 573348513 /nfs/dbraw/zinc/34/85/13/573348513.db2.gz XBWWVVOPKZRWNP-CSKARUKUSA-N 0 0 198.262 2.255 10 30 AEEERN N#Cc1ccccc1-c1cc(N)ccn1 238648688 573348665 /nfs/dbraw/zinc/34/86/65/573348665.db2.gz DXSAUSHLTHJVQV-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=C[C@@H](CC)OC(=O)CCCC#N 308367196 573357346 /nfs/dbraw/zinc/35/73/46/573357346.db2.gz OQDJLLOGIKFRHL-VIFPVBQESA-N 0 0 181.235 2.188 10 30 AEEERN Cc1c(CC#N)sc2oncc12 259609325 573357585 /nfs/dbraw/zinc/35/75/85/573357585.db2.gz FWCJFHXPIVUHAO-UHFFFAOYSA-N 0 0 178.216 2.264 10 30 AEEERN CC(C)Oc1cnn([C@H](C)CC#N)c1 308561935 573357664 /nfs/dbraw/zinc/35/76/64/573357664.db2.gz WLBWUYRYOLURJZ-SECBINFHSA-N 0 0 193.250 2.145 10 30 AEEERN CC[C@H](C)ON=CC(C)(C)COC 308363885 573357736 /nfs/dbraw/zinc/35/77/36/573357736.db2.gz NFQWACLVVXKTHE-VIFPVBQESA-N 0 0 187.283 2.460 10 30 AEEERN C=CC(=C)C(=O)CCC 117612190 573357769 /nfs/dbraw/zinc/35/77/69/573357769.db2.gz MZLUPNQXSKHWFA-UHFFFAOYSA-N 0 0 124.183 2.098 10 30 AEEERN COc1nc(C)c(C(F)F)cc1C#N 238369530 573357785 /nfs/dbraw/zinc/35/77/85/573357785.db2.gz QSLMOSJEHHBJMP-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CC(C)Oc1cnn([C@@H](C)CC#N)c1 308561939 573357836 /nfs/dbraw/zinc/35/78/36/573357836.db2.gz WLBWUYRYOLURJZ-VIFPVBQESA-N 0 0 193.250 2.145 10 30 AEEERN C=C[C@H](CC)OC(=O)C1(F)CCC1 308364371 573357863 /nfs/dbraw/zinc/35/78/63/573357863.db2.gz NNWBFPZGPHLUMC-MRVPVSSYSA-N 0 0 186.226 2.386 10 30 AEEERN C/C=C/C(=O)C#CC(C)(C)CCC=O 308363008 573357868 /nfs/dbraw/zinc/35/78/68/573357868.db2.gz DAIIVJQUUBCCAP-GQCTYLIASA-N 0 0 192.258 2.140 10 30 AEEERN C=CC[C@@H](O)c1ccncc1CC 132861569 573357995 /nfs/dbraw/zinc/35/79/95/573357995.db2.gz ISKNNJLCNLCTDG-LLVKDONJSA-N 0 0 177.247 2.254 10 30 AEEERN C=C(C)[C@H]1CC[C@@H](C=O)[C@@H](OC)C1 238362022 573361897 /nfs/dbraw/zinc/36/18/97/573361897.db2.gz GFANPIOCUONIQT-DCAQKATOSA-N 0 0 182.263 2.193 10 30 AEEERN O=CCc1cc2ccc(O)cc2s1 258295819 573361925 /nfs/dbraw/zinc/36/19/25/573361925.db2.gz USHWKFDHHJCNRA-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN C=CC[C@H](NN)C1=CCCCCC1 236186509 573361982 /nfs/dbraw/zinc/36/19/82/573361982.db2.gz QSNCLIMRDCTHGG-NSHDSACASA-N 0 0 180.295 2.285 10 30 AEEERN CCCC(CCC)C(=O)C(C#N)C#N 132938510 573362146 /nfs/dbraw/zinc/36/21/46/573362146.db2.gz XQGHPYGXYCSOKG-UHFFFAOYSA-N 0 0 192.262 2.435 10 30 AEEERN N#CC1(C2(C3CCC3)COC2)CCC1 259427728 573362160 /nfs/dbraw/zinc/36/21/60/573362160.db2.gz ZMHOCOUQJFAJLJ-UHFFFAOYSA-N 0 0 191.274 2.497 10 30 AEEERN CCCCC(CC)=Nn1cncn1 308368640 573366070 /nfs/dbraw/zinc/36/60/70/573366070.db2.gz PGVGIURLVMSSBG-UHFFFAOYSA-N 0 0 180.255 2.082 10 30 AEEERN C=CCOC(=O)Cc1ccsc1C 308368812 573366306 /nfs/dbraw/zinc/36/63/06/573366306.db2.gz JLSNDUOJTJCSIE-UHFFFAOYSA-N 0 0 196.271 2.328 10 30 AEEERN CCn1ccc2cc(CC=O)ccc21 258315631 573366495 /nfs/dbraw/zinc/36/64/95/573366495.db2.gz XGPUFZQXMRQDDF-UHFFFAOYSA-N 0 0 187.242 2.403 10 30 AEEERN C=C(CC=O)C[C@H]1CCCS1 258316332 573366657 /nfs/dbraw/zinc/36/66/57/573366657.db2.gz VTHOHIIDAZWUDM-SECBINFHSA-N 0 0 170.277 2.417 10 30 AEEERN CCC[C@H](C#N)[C@@]1(O)CC[C@H](C)C1 86327869 573366666 /nfs/dbraw/zinc/36/66/66/573366666.db2.gz GTJCKLFORLNXMH-HBNTYKKESA-N 0 0 181.279 2.477 10 30 AEEERN N#CC[C@H](O)c1cc(Cl)cs1 86334967 573366728 /nfs/dbraw/zinc/36/67/28/573366728.db2.gz KVOHWJCNMCOFHK-LURJTMIESA-N 0 0 187.651 2.349 10 30 AEEERN CCC[C@H](C#N)[C@@](C)(O)CC 86326535 573366754 /nfs/dbraw/zinc/36/67/54/573366754.db2.gz FVLQGHPSIMZEBM-BDAKNGLRSA-N 0 0 155.241 2.087 10 30 AEEERN N#CC1(c2cc(F)c(O)c(F)c2)CC1 214782249 573369988 /nfs/dbraw/zinc/36/99/88/573369988.db2.gz HQQZOQOCGXDGAQ-UHFFFAOYSA-N 0 0 195.168 2.226 10 30 AEEERN C/C(=C\CC1(C=O)CCCCC1)CO 308374229 573370198 /nfs/dbraw/zinc/37/01/98/573370198.db2.gz WLDWTNMGCVHLBV-VZUCSPMQSA-N 0 0 196.290 2.465 10 30 AEEERN CC/C=C(\C)C(=O)O[C@H](C)CC#N 308366678 573370208 /nfs/dbraw/zinc/37/02/08/573370208.db2.gz OIKOOCTXNDUAHJ-WHXYTISESA-N 0 0 181.235 2.188 10 30 AEEERN C1=CN[C@@H](/N=C\c2ccccc2)C=C1 308366351 573370550 /nfs/dbraw/zinc/37/05/50/573370550.db2.gz LOCRUVZARAOASP-GVIGZQTCSA-N 0 0 184.242 2.105 10 30 AEEERN Cc1cc(O)ccc1[C@H](C)CC=O 258015852 573370647 /nfs/dbraw/zinc/37/06/47/573370647.db2.gz NNNDIQFHOPQVIR-MRVPVSSYSA-N 0 0 178.231 2.393 10 30 AEEERN C=C[C@H](C)[C@@H](O)C#CC(C)(C)C 238370526 573370650 /nfs/dbraw/zinc/37/06/50/573370650.db2.gz XXCXZMGDTBXORE-UWVGGRQHSA-N 0 0 166.264 2.219 10 30 AEEERN CC/C=C(/C)C(=O)O[C@@H](C)CC#N 308366676 573370803 /nfs/dbraw/zinc/37/08/03/573370803.db2.gz OIKOOCTXNDUAHJ-RDOCRHDPSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCNc1ccc(C#N)c(F)c1F 236189561 573370815 /nfs/dbraw/zinc/37/08/15/573370815.db2.gz QMMJVZZZXRNWOU-UHFFFAOYSA-N 0 0 194.184 2.434 10 30 AEEERN CC(F)(F)C1(C=O)CCSCC1 214769993 573370925 /nfs/dbraw/zinc/37/09/25/573370925.db2.gz DUDIBCQCYDPYRX-UHFFFAOYSA-N 0 0 194.246 2.354 10 30 AEEERN CC/C=C(/C)C(=O)O[C@H](C)CC#N 308366673 573370946 /nfs/dbraw/zinc/37/09/46/573370946.db2.gz OIKOOCTXNDUAHJ-BZJXQOFCSA-N 0 0 181.235 2.188 10 30 AEEERN C=CCC(F)(F)[C@@H](N)C(F)(F)F 238651785 573371074 /nfs/dbraw/zinc/37/10/74/573371074.db2.gz JGMOPEWHWZQHBH-SCSAIBSYSA-N 0 0 189.127 2.087 10 30 AEEERN Cc1cc(C)c(O)c(CCC=O)c1 258015937 573371090 /nfs/dbraw/zinc/37/10/90/573371090.db2.gz NOYVBXKWTORGCP-UHFFFAOYSA-N 0 0 178.231 2.141 10 30 AEEERN COc1cc(O)cc(F)c1[C@H](C)C#N 214783883 573371094 /nfs/dbraw/zinc/37/10/94/573371094.db2.gz YLRBJFROOVYGDV-ZCFIWIBFSA-N 0 0 195.193 2.167 10 30 AEEERN C=C(CCO)c1cccs1 258325950 573371328 /nfs/dbraw/zinc/37/13/28/573371328.db2.gz WOUFQGNFEDZEKR-UHFFFAOYSA-N 0 0 154.234 2.144 10 30 AEEERN Cc1cc(O)cc([C@@H](C)CC=O)c1 258015980 573371528 /nfs/dbraw/zinc/37/15/28/573371528.db2.gz NPZUZGIJIFZYND-VIFPVBQESA-N 0 0 178.231 2.393 10 30 AEEERN CCC1(CC)C[C@H]1C=O 107155955 573378794 /nfs/dbraw/zinc/37/87/94/573378794.db2.gz WGRVNPSPBGJQRH-ZETCQYMHSA-N 0 0 126.199 2.012 10 30 AEEERN O=C[C@H](CC1CC1)C1CC1 107156304 573378850 /nfs/dbraw/zinc/37/88/50/573378850.db2.gz FCSCXKHQYFAGMA-VIFPVBQESA-N 0 0 138.210 2.012 10 30 AEEERN CC[C@@H](C=O)CC1CC1 107155967 573379012 /nfs/dbraw/zinc/37/90/12/573379012.db2.gz WBKSIOZLOANFEB-SSDOTTSWSA-N 0 0 126.199 2.012 10 30 AEEERN CC[C@@](C#N)(C1CC1)N1CCCC1 83058773 573379076 /nfs/dbraw/zinc/37/90/76/573379076.db2.gz RGEUEAQOAZUHEN-LLVKDONJSA-N 0 0 178.279 2.165 10 30 AEEERN COc1ccc(C)cc1[C@@H]1C[C@@H]1C=O 238373063 573379131 /nfs/dbraw/zinc/37/91/31/573379131.db2.gz SFHUMADBSPFBKA-NXEZZACHSA-N 0 0 190.242 2.306 10 30 AEEERN C=C(C)C[C@H](O)[C@H](OCC)C(C)C 133148803 573379134 /nfs/dbraw/zinc/37/91/34/573379134.db2.gz CHHAQTJGUPCQFA-WDEREUQCSA-N 0 0 186.295 2.375 10 30 AEEERN CC[C@@H](C=O)CC(C)C 107156101 573379142 /nfs/dbraw/zinc/37/91/42/573379142.db2.gz RASFNDNSLQUKNY-MRVPVSSYSA-N 0 0 128.215 2.258 10 30 AEEERN C#CCCSCc1ccnc(C)n1 308371870 573379198 /nfs/dbraw/zinc/37/91/98/573379198.db2.gz LFYQZTCWMYSSMT-UHFFFAOYSA-N 0 0 192.287 2.042 10 30 AEEERN COC1=CC(C)(C)C(C)(C)C1=O 238373158 573379241 /nfs/dbraw/zinc/37/92/41/573379241.db2.gz ZOAUVCNDEXYUHW-UHFFFAOYSA-N 0 0 168.236 2.152 10 30 AEEERN CSc1nc2cc(C#N)ccc2o1 306625216 573379334 /nfs/dbraw/zinc/37/93/34/573379334.db2.gz GLDIFDDZEFWGSM-UHFFFAOYSA-N 0 0 190.227 2.421 10 30 AEEERN CO[C@@](C)(C=O)CC1CCCC1 258641242 573379518 /nfs/dbraw/zinc/37/95/18/573379518.db2.gz YUHQWBLEXZVLFH-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN COc1ccc2cc(C)[nH]c2c1C#N 238373530 573379555 /nfs/dbraw/zinc/37/95/55/573379555.db2.gz YHRPNHNOYOINGM-UHFFFAOYSA-N 0 0 186.214 2.357 10 30 AEEERN C#CCCCSCc1nnc(C)o1 308370927 573379684 /nfs/dbraw/zinc/37/96/84/573379684.db2.gz KUIWDBVOHFIXCQ-UHFFFAOYSA-N 0 0 196.275 2.025 10 30 AEEERN N#Cc1ccc2c(c1N)SC(=O)C2 306629032 573379688 /nfs/dbraw/zinc/37/96/88/573379688.db2.gz CAPHNSNJGGEPJX-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN CC[C@H](C)NN=CC(C)(C)COC 308371292 573379695 /nfs/dbraw/zinc/37/96/95/573379695.db2.gz QIXBNBQQCMKOOS-VIFPVBQESA-N 0 0 186.299 2.033 10 30 AEEERN C=CCSCCCc1nnc(C)o1 308377873 573379728 /nfs/dbraw/zinc/37/97/28/573379728.db2.gz ORQFEDSXMFLVQC-UHFFFAOYSA-N 0 0 198.291 2.230 10 30 AEEERN CC[C@](C#N)(C1CC1)N1CCCC1 83058774 573379753 /nfs/dbraw/zinc/37/97/53/573379753.db2.gz RGEUEAQOAZUHEN-NSHDSACASA-N 0 0 178.279 2.165 10 30 AEEERN CC[C@H](C=O)CC(C)C 107156099 573379866 /nfs/dbraw/zinc/37/98/66/573379866.db2.gz RASFNDNSLQUKNY-QMMMGPOBSA-N 0 0 128.215 2.258 10 30 AEEERN C[C@H](CO)CCC[C@H]1CC[C@H]1CC=O 308370578 573379935 /nfs/dbraw/zinc/37/99/35/573379935.db2.gz QRAFDZDISJTFNL-SRVKXCTJSA-N 0 0 198.306 2.400 10 30 AEEERN C=C[C@H](C)[C@H](O)C#CC(C)(C)C 238373521 573379993 /nfs/dbraw/zinc/37/99/93/573379993.db2.gz XXCXZMGDTBXORE-VHSXEESVSA-N 0 0 166.264 2.219 10 30 AEEERN C#CC[C@@H](CC)NC(=O)/C(C)=C/CC 308377695 573380055 /nfs/dbraw/zinc/38/00/55/573380055.db2.gz BRBAQUYKBBZCHP-RJCSOLBVSA-N 0 0 193.290 2.261 10 30 AEEERN C#CCCC(=O)N(CC)CCCC 308370696 573380071 /nfs/dbraw/zinc/38/00/71/573380071.db2.gz QBWSFAZUNYAHID-UHFFFAOYSA-N 0 0 181.279 2.048 10 30 AEEERN N#C[C@@]1(Cc2ccoc2)CCCOC1 236198524 573380074 /nfs/dbraw/zinc/38/00/74/573380074.db2.gz CFNQLVMQUYKIKQ-NSHDSACASA-N 0 0 191.230 2.142 10 30 AEEERN CC[C@]1(C2CC2)CC(=O)C=CO1 83059175 573380098 /nfs/dbraw/zinc/38/00/98/573380098.db2.gz MHKUAWXQQPAPHS-SNVBAGLBSA-N 0 0 166.220 2.048 10 30 AEEERN N#CCNc1cc(Cl)ccc1C#N 83053739 573380221 /nfs/dbraw/zinc/38/02/21/573380221.db2.gz GBTWQNGJOXQGCC-UHFFFAOYSA-N 0 0 191.621 2.147 10 30 AEEERN CCC[C@H](C=O)C1CC1 107155961 573380239 /nfs/dbraw/zinc/38/02/39/573380239.db2.gz IXERYSHBMDNPRX-MRVPVSSYSA-N 0 0 126.199 2.012 10 30 AEEERN C[C@@H](C#N)OCCOCCC(C)(C)C 308567547 573384494 /nfs/dbraw/zinc/38/44/94/573384494.db2.gz ZDVNVUFYEBMYAU-JTQLQIEISA-N 0 0 199.294 2.368 10 30 AEEERN C=C(C)C[C@H]1C(=O)CC=C1OC 238374110 573384512 /nfs/dbraw/zinc/38/45/12/573384512.db2.gz RPYKMOHMBZRXRJ-QMMMGPOBSA-N 0 0 166.220 2.072 10 30 AEEERN Cc1cccn2cc(C(C)(C)C#N)nc12 259432797 573384531 /nfs/dbraw/zinc/38/45/31/573384531.db2.gz ADGWHQSZROASGX-UHFFFAOYSA-N 0 0 199.257 2.444 10 30 AEEERN CC[C@@H](CC=O)c1ccco1 107157638 573384576 /nfs/dbraw/zinc/38/45/76/573384576.db2.gz HPHCIDFXCVVRIA-QMMMGPOBSA-N 0 0 152.193 2.362 10 30 AEEERN CCc1ccccc1C(=O)CC#N 118001761 573383928 /nfs/dbraw/zinc/38/39/28/573383928.db2.gz NMBUIUPPUSKABJ-UHFFFAOYSA-N 0 0 173.215 2.345 10 30 AEEERN C[C@@](O)(CCC=O)c1ccc(F)cc1 308567671 573383967 /nfs/dbraw/zinc/38/39/67/573383967.db2.gz ZHJHYGOEMQFZQS-LLVKDONJSA-N 0 0 196.221 2.012 10 30 AEEERN C[C@H](C=O)c1ccc(Cl)o1 107159250 573383984 /nfs/dbraw/zinc/38/39/84/573383984.db2.gz UWAPWSDMSUZABT-RXMQYKEDSA-N 0 0 158.584 2.235 10 30 AEEERN CCC[C@@](C#N)(NCC1CC1)C1CC1 308567920 573384030 /nfs/dbraw/zinc/38/40/30/573384030.db2.gz ZLNBSWLRWJMPGW-LBPRGKRZSA-N 0 0 192.306 2.458 10 30 AEEERN C=C(CC(=O)OC)Cc1cccs1 258333722 573384087 /nfs/dbraw/zinc/38/40/87/573384087.db2.gz XEHXPNGBAWCYFA-UHFFFAOYSA-N 0 0 196.271 2.410 10 30 AEEERN COCc1ccc(F)c(CCC=O)c1 258011414 573384092 /nfs/dbraw/zinc/38/40/92/573384092.db2.gz HKHFTIOFEJLBSQ-UHFFFAOYSA-N 0 0 196.221 2.104 10 30 AEEERN C[C@H](C#N)OCCOCCC(C)(C)C 308567550 573384118 /nfs/dbraw/zinc/38/41/18/573384118.db2.gz ZDVNVUFYEBMYAU-SNVBAGLBSA-N 0 0 199.294 2.368 10 30 AEEERN C=C[C@H](C)[C@H](O)c1ccccc1N 238374250 573384153 /nfs/dbraw/zinc/38/41/53/573384153.db2.gz XWPBKWXFBLDOKO-KWQFWETISA-N 0 0 177.247 2.124 10 30 AEEERN CSC[C@H]1CCC(C)=CC1=O 238374527 573384171 /nfs/dbraw/zinc/38/41/71/573384171.db2.gz DYXNPNSEPLEMAS-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN CSC[C@H]1CCC(=O)C=C1C 238374512 573384389 /nfs/dbraw/zinc/38/43/89/573384389.db2.gz KPZZXFGWAZPDQX-MRVPVSSYSA-N 0 0 170.277 2.275 10 30 AEEERN N#CC1(Nc2ccc(O)cc2)CCC1 118098867 573386486 /nfs/dbraw/zinc/38/64/86/573386486.db2.gz JVTFTORDFMLSPJ-UHFFFAOYSA-N 0 0 188.230 2.250 10 30 AEEERN CC[C@H](CC=O)C(F)(F)F 107158025 573385829 /nfs/dbraw/zinc/38/58/29/573385829.db2.gz BWHYEHMIIIZEIX-RXMQYKEDSA-N 0 0 154.131 2.164 10 30 AEEERN CCn1c(C#N)cnc1C(C)(C)C 259433049 573385853 /nfs/dbraw/zinc/38/58/53/573385853.db2.gz UJLHSYVHQLFVBK-UHFFFAOYSA-N 0 0 177.251 2.072 10 30 AEEERN CC[C@@H](CC=O)C(F)(F)F 107158023 573385939 /nfs/dbraw/zinc/38/59/39/573385939.db2.gz BWHYEHMIIIZEIX-YFKPBYRVSA-N 0 0 154.131 2.164 10 30 AEEERN C=C1CC[C@H](O[C@@H](C)OCC)C1 39089763 573385952 /nfs/dbraw/zinc/38/59/52/573385952.db2.gz GQNNJRSHTZJODD-UWVGGRQHSA-N 0 0 170.252 2.494 10 30 AEEERN CC(=O)OC/C=C/CCCCCC=O 308372062 573385977 /nfs/dbraw/zinc/38/59/77/573385977.db2.gz SMTAWSFWOVMBOG-SOFGYWHQSA-N 0 0 198.262 2.255 10 30 AEEERN CC(C)[C@H](C=O)C(F)(F)F 107158031 573386370 /nfs/dbraw/zinc/38/63/70/573386370.db2.gz JUMGKUUSKRKRRR-YFKPBYRVSA-N 0 0 154.131 2.020 10 30 AEEERN CC(C=O)=C([O-])c1ccc(C)cc1C 238376876 573386386 /nfs/dbraw/zinc/38/63/86/573386386.db2.gz FUBBXVIORYNTFY-JTQLQIEISA-N 0 0 190.242 2.321 10 30 AEEERN O=CC[C@H]1Cc2ccccc2S1 258019847 573389035 /nfs/dbraw/zinc/38/90/35/573389035.db2.gz DERDOVPTRWCSSA-VIFPVBQESA-N 0 0 178.256 2.292 10 30 AEEERN CC[C@H](C=O)c1ccc(C)nc1 107160098 573388416 /nfs/dbraw/zinc/38/84/16/573388416.db2.gz ABBXTQKWDCLBSA-SECBINFHSA-N 0 0 163.220 2.083 10 30 AEEERN Cc1cc(C)c([C@H](C)C=O)cn1 107160103 573389101 /nfs/dbraw/zinc/38/91/01/573389101.db2.gz JPQVKUXBLTZNDB-MRVPVSSYSA-N 0 0 163.220 2.001 10 30 AEEERN Cc1ccc([C@@H](C)CC=O)cn1 107160068 573388474 /nfs/dbraw/zinc/38/84/74/573388474.db2.gz DIDUOTRLWSNXHE-QMMMGPOBSA-N 0 0 163.220 2.083 10 30 AEEERN C[C@@H](CC=O)c1ccccc1O 107160192 573388483 /nfs/dbraw/zinc/38/84/83/573388483.db2.gz JWCVHGPNESDQEX-QMMMGPOBSA-N 0 0 164.204 2.085 10 30 AEEERN CC(C)[C@H](C=O)c1ccncc1 107160108 573388575 /nfs/dbraw/zinc/38/85/75/573388575.db2.gz RXCIQRVQPPJWPJ-JTQLQIEISA-N 0 0 163.220 2.020 10 30 AEEERN C=C(CC(=O)OC)c1ccc(F)cc1 258011677 573388615 /nfs/dbraw/zinc/38/86/15/573388615.db2.gz BBCWYABVULTODR-UHFFFAOYSA-N 0 0 194.205 2.402 10 30 AEEERN O=C[C@H](CC(F)(F)F)C1CC1 107160985 573388685 /nfs/dbraw/zinc/38/86/85/573388685.db2.gz SHVRZRAOJXUZRZ-LURJTMIESA-N 0 0 166.142 2.164 10 30 AEEERN C=CCC[C@H](C)[C@@H](C)CO 238377451 573388744 /nfs/dbraw/zinc/38/87/44/573388744.db2.gz KLGGPFZFRIWKPF-IUCAKERBSA-N 0 0 142.242 2.217 10 30 AEEERN COC1=C[C@H](C(C)(C)C)CC1=O 238377339 573388832 /nfs/dbraw/zinc/38/88/32/573388832.db2.gz WPKMGMAYQFBGLO-SSDOTTSWSA-N 0 0 168.236 2.152 10 30 AEEERN O/N=C/c1cc(F)cc(Cl)c1 118207706 573388844 /nfs/dbraw/zinc/38/88/44/573388844.db2.gz YFJSPOGXWIPLBV-ONNFQVAWSA-N 0 0 173.574 2.287 10 30 AEEERN C[C@H](CC=O)c1cccc(O)c1 107160200 573388874 /nfs/dbraw/zinc/38/88/74/573388874.db2.gz IQJFFSLKTKLHQP-MRVPVSSYSA-N 0 0 164.204 2.085 10 30 AEEERN Cc1ccc([C@H](C=O)C2CC2)o1 107160247 573388906 /nfs/dbraw/zinc/38/89/06/573388906.db2.gz XLBQOCBUPGUDBW-SECBINFHSA-N 0 0 164.204 2.281 10 30 AEEERN CSCc1ccc(C#N)s1 238377510 573388908 /nfs/dbraw/zinc/38/89/08/573388908.db2.gz HNEQJAPUQDMSIH-UHFFFAOYSA-N 0 0 169.274 2.483 10 30 AEEERN Cc1ccccc1-c1noc(C#N)c1N 259437420 573396629 /nfs/dbraw/zinc/39/66/29/573396629.db2.gz MPVRCJMEYSIYOL-UHFFFAOYSA-N 0 0 199.213 2.104 10 30 AEEERN N#CC[C@@H]1CCc2c(C3CC3)n[nH]c21 259611148 573396670 /nfs/dbraw/zinc/39/66/70/573396670.db2.gz FXXBLKCEPVFZTF-QMMMGPOBSA-N 0 0 187.246 2.231 10 30 AEEERN CC[C@H](C)[C@@H](C#N)SC 86386794 573396821 /nfs/dbraw/zinc/39/68/21/573396821.db2.gz CBEWNFUWPYVMBY-NKWVEPMBSA-N 0 0 143.255 2.288 10 30 AEEERN COc1ccc2sncc2c1C#N 238386820 573396890 /nfs/dbraw/zinc/39/68/90/573396890.db2.gz VMKASHYZOYUCOK-UHFFFAOYSA-N 0 0 190.227 2.177 10 30 AEEERN Cc1cn(CC=O)c2cc(F)ccc12 107176326 573396958 /nfs/dbraw/zinc/39/69/58/573396958.db2.gz WEJYBSOLHRHSJS-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN COc1ccc([C@H](C)C=O)c(F)c1 107170402 573397060 /nfs/dbraw/zinc/39/70/60/573397060.db2.gz YJSAFKOUABBJHF-SSDOTTSWSA-N 0 0 182.194 2.137 10 30 AEEERN C=CCC1=C[C@@H]2C(=O)C[C@@H]2C1 224096663 573398000 /nfs/dbraw/zinc/39/80/00/573398000.db2.gz YJPQQOKDTNRLHZ-IUCAKERBSA-N 0 0 148.205 2.098 10 30 AEEERN CO[C@H](C=O)c1ccc(Cl)cc1 107172456 573398003 /nfs/dbraw/zinc/39/80/03/573398003.db2.gz NAUCVNUAGWUVAF-SECBINFHSA-N 0 0 184.622 2.226 10 30 AEEERN CO[C@@H](C=O)c1cccc(Cl)c1 107172449 573398258 /nfs/dbraw/zinc/39/82/58/573398258.db2.gz ZKEACFBUXGZQQP-VIFPVBQESA-N 0 0 184.622 2.226 10 30 AEEERN CC(C)=C[C@@H](C)[C@@H](C)C=O 238379912 573398386 /nfs/dbraw/zinc/39/83/86/573398386.db2.gz IGNKNDCAFMTQBK-BDAKNGLRSA-N 0 0 140.226 2.424 10 30 AEEERN CC#CCC[C@H](O)[C@@H](OC)C(C)(C)C 133420905 573398429 /nfs/dbraw/zinc/39/84/29/573398429.db2.gz VLPUXBFBOUCCRY-WDEREUQCSA-N 0 0 198.306 2.212 10 30 AEEERN Cc1cn(CC=O)c2ccc(F)cc12 107176332 573398482 /nfs/dbraw/zinc/39/84/82/573398482.db2.gz AEPKSEWNDZCNLJ-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN CO[C@H](C=O)c1ccc(F)c(C)c1 107170382 573398523 /nfs/dbraw/zinc/39/85/23/573398523.db2.gz PCLGTVQZZCCOPH-SNVBAGLBSA-N 0 0 182.194 2.021 10 30 AEEERN Cc1cc2cc(F)ccc2n1CC=O 107176329 573398695 /nfs/dbraw/zinc/39/86/95/573398695.db2.gz XEHMQXWRFKKQBL-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN CC(C)C1CCC([C@H](O)CC=O)CC1 308573129 573398706 /nfs/dbraw/zinc/39/87/06/573398706.db2.gz FZARRRQEEDWDGD-HTAVTVPLSA-N 0 0 198.306 2.399 10 30 AEEERN N#CC[C@H]1CCc2c(C3CC3)n[nH]c21 259611147 573398765 /nfs/dbraw/zinc/39/87/65/573398765.db2.gz FXXBLKCEPVFZTF-MRVPVSSYSA-N 0 0 187.246 2.231 10 30 AEEERN Cc1cc2ccc(F)cc2n1CC=O 107176324 573398963 /nfs/dbraw/zinc/39/89/63/573398963.db2.gz ATVSJHSJOCRCIV-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN CC[C@@H](C)C1=CC(=O)CC1 86394018 573399060 /nfs/dbraw/zinc/39/90/60/573399060.db2.gz DZJOGKLCUJJEDF-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN COC1=C2CCC[C@]2(C)C=CC1=O 238387027 573399130 /nfs/dbraw/zinc/39/91/30/573399130.db2.gz JAAFPQZQZJRZFV-LLVKDONJSA-N 0 0 178.231 2.216 10 30 AEEERN CCc1ccc(-n2ccc(C#N)n2)cc1 259094745 573399226 /nfs/dbraw/zinc/39/92/26/573399226.db2.gz QSWNLDUAMJGALV-UHFFFAOYSA-N 0 0 197.241 2.306 10 30 AEEERN COc1ccc([C@@H](C)C=O)c(F)c1 107170399 573399292 /nfs/dbraw/zinc/39/92/92/573399292.db2.gz YJSAFKOUABBJHF-ZETCQYMHSA-N 0 0 182.194 2.137 10 30 AEEERN COC1=CC2(CCCC2)CC1=O 238387979 573399731 /nfs/dbraw/zinc/39/97/31/573399731.db2.gz WNBXMHRPOHYMOS-UHFFFAOYSA-N 0 0 166.220 2.050 10 30 AEEERN CS[C@@H]1CCCC[C@H]1C=O 238387630 573399781 /nfs/dbraw/zinc/39/97/81/573399781.db2.gz WMOZVAVVFAMRLF-JGVFFNPUSA-N 0 0 158.266 2.107 10 30 AEEERN Cc1ccc(NCS)cc1 258642766 573399833 /nfs/dbraw/zinc/39/98/33/573399833.db2.gz LVLKHQMFNJUEON-UHFFFAOYSA-N 0 0 153.250 2.294 10 30 AEEERN C=C(CC)CNOC(C)(C)C 133426705 573399864 /nfs/dbraw/zinc/39/98/64/573399864.db2.gz LXKQHHGTYZOTFA-UHFFFAOYSA-N 0 0 157.257 2.272 10 30 AEEERN COc1cc([C@H](C)C=O)ccc1F 107170393 573399938 /nfs/dbraw/zinc/39/99/38/573399938.db2.gz HRMARUJKIZCCGC-SSDOTTSWSA-N 0 0 182.194 2.137 10 30 AEEERN C[C@@H](CC#N)[C@@H]1CCCCC1=O 238388006 573399940 /nfs/dbraw/zinc/39/99/40/573399940.db2.gz GUTKARKYKFZADS-IUCAKERBSA-N 0 0 165.236 2.295 10 30 AEEERN N#Cc1cn(CCF)c2ccccc12 84859843 573399995 /nfs/dbraw/zinc/39/99/95/573399995.db2.gz YELSGTHTXYDYTJ-UHFFFAOYSA-N 0 0 188.205 2.482 10 30 AEEERN C=CCC[C@@]1(C)CCCC(=NO)[C@H]1O 308572815 573399996 /nfs/dbraw/zinc/39/99/96/573399996.db2.gz FTJGJJBSVQWLCF-MNOVXSKESA-N 0 0 197.278 2.334 10 30 AEEERN C=C1OC(C)=C(C(C)=O)[C@@H]1C 238388005 573400043 /nfs/dbraw/zinc/40/00/43/573400043.db2.gz BGGOMATZOWZATN-RXMQYKEDSA-N 0 0 152.193 2.029 10 30 AEEERN C[C@@H](CC#N)[C@@]1(C)CCCC1=O 238388027 573400058 /nfs/dbraw/zinc/40/00/58/573400058.db2.gz XAAMDLHPJPWTDW-WCBMZHEXSA-N 0 0 165.236 2.295 10 30 AEEERN COc1cc([C@@H](C)C=O)ccc1F 107170391 573400168 /nfs/dbraw/zinc/40/01/68/573400168.db2.gz HRMARUJKIZCCGC-ZETCQYMHSA-N 0 0 182.194 2.137 10 30 AEEERN Cc1cn(CC=O)c2c(F)cccc12 107176321 573400182 /nfs/dbraw/zinc/40/01/82/573400182.db2.gz FQRPAYVZYISMON-UHFFFAOYSA-N 0 0 191.205 2.288 10 30 AEEERN CC(C)=CC(=O)[C@@H]1C[C@@H]1C 118422559 573400225 /nfs/dbraw/zinc/40/02/25/573400225.db2.gz SQFWSXFWJLWKMH-JGVFFNPUSA-N 0 0 138.210 2.178 10 30 AEEERN CO[C@@H](C=O)c1ccc(F)c(C)c1 107170385 573400288 /nfs/dbraw/zinc/40/02/88/573400288.db2.gz PCLGTVQZZCCOPH-JTQLQIEISA-N 0 0 182.194 2.021 10 30 AEEERN COc1ccc(CF)c(C#N)c1 238388738 573400334 /nfs/dbraw/zinc/40/03/34/573400334.db2.gz FJJWKJPKFKQMEF-UHFFFAOYSA-N 0 0 165.167 2.036 10 30 AEEERN C=CC[C@H](ON)c1ccc(OC)cc1 39090461 573406993 /nfs/dbraw/zinc/40/69/93/573406993.db2.gz YIAMOMBKXIJQJJ-NSHDSACASA-N 0 0 193.246 2.203 10 30 AEEERN C=C(CC)/C(=C\CO)[C@@H](O)CC(C)C 238181479 573406338 /nfs/dbraw/zinc/40/63/38/573406338.db2.gz BRZRDPYQMUKSMB-BCMYLCSRSA-N 0 0 198.306 2.278 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@@H]1SC 238389555 573406385 /nfs/dbraw/zinc/40/63/85/573406385.db2.gz DUBAPGQKPSFQNQ-IONNQARKSA-N 0 0 170.277 2.273 10 30 AEEERN C=C(C)[C@H]1CCC(=O)[C@@H]1SC 238389161 573406400 /nfs/dbraw/zinc/40/64/00/573406400.db2.gz DUBAPGQKPSFQNQ-VXNVDRBHSA-N 0 0 170.277 2.273 10 30 AEEERN C[C@@H](C=O)[C@H]1CC=CC1(C)C 238380916 573406787 /nfs/dbraw/zinc/40/67/87/573406787.db2.gz LKSRDNLJMSQMNS-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN C=CCCC(=O)C1CCC1 83120229 573412405 /nfs/dbraw/zinc/41/24/05/573412405.db2.gz IXVDYKSRPSSNRD-UHFFFAOYSA-N 0 0 138.210 2.322 10 30 AEEERN C[C@@H](F)[C@@H](C#N)NCc1ccccc1 238382203 573412445 /nfs/dbraw/zinc/41/24/45/573412445.db2.gz CCEXZPBQHYLXNW-MWLCHTKSSA-N 0 0 192.237 2.026 10 30 AEEERN C#CC(C)(C)N(C)C(=O)CCCC 308384823 573412505 /nfs/dbraw/zinc/41/25/05/573412505.db2.gz WJDXAYARRVEXAI-UHFFFAOYSA-N 0 0 181.279 2.047 10 30 AEEERN Cc1ccc(/C=N\[C@@H](CO)C(C)C)o1 308577241 573412567 /nfs/dbraw/zinc/41/25/67/573412567.db2.gz IAWZSHVQVQMJRR-RMCZBGCRSA-N 0 0 195.262 2.024 10 30 AEEERN C=CC[C@H](C)[C@@H](N)C(F)(F)F 715801175 573412571 /nfs/dbraw/zinc/41/25/71/573412571.db2.gz XAPJJKRNLAPASN-NTSWFWBYSA-N 0 0 167.174 2.088 10 30 AEEERN CCCCC(N)=NOC[C@@H](F)CC 308385224 573412600 /nfs/dbraw/zinc/41/26/00/573412600.db2.gz WLKCIYJZZAOTEI-QMMMGPOBSA-N 0 0 190.262 2.214 10 30 AEEERN C[C@@H](F)[C@H](C=O)OCc1ccccc1 238381787 573412609 /nfs/dbraw/zinc/41/26/09/573412609.db2.gz AZIAHJQJBIHVAE-KOLCDFICSA-N 0 0 196.221 2.129 10 30 AEEERN C=CC[C@@H](C)[C@@H](N)C(F)(F)F 715801177 573412646 /nfs/dbraw/zinc/41/26/46/573412646.db2.gz XAPJJKRNLAPASN-PHDIDXHHSA-N 0 0 167.174 2.088 10 30 AEEERN CN[C@@H](S)c1ccc(C)cc1C 259442227 573412649 /nfs/dbraw/zinc/41/26/49/573412649.db2.gz OOWKHONDCHWWQP-JTQLQIEISA-N 0 0 181.304 2.451 10 30 AEEERN CCCCCCC#C[C@](C)(O)[C@H](C)O 238194165 573412856 /nfs/dbraw/zinc/41/28/56/573412856.db2.gz APZPBDFQFWLGAN-RYUDHWBXSA-N 0 0 198.306 2.092 10 30 AEEERN C[C@@H](C=O)[C@@H]1C=Cc2ccccc2O1 238381539 573412883 /nfs/dbraw/zinc/41/28/83/573412883.db2.gz CCJFSAWODWKBEI-ONGXEEELSA-N 0 0 188.226 2.296 10 30 AEEERN Cc1ccc(C=NNC(C)(C)C)o1 308384859 573412897 /nfs/dbraw/zinc/41/28/97/573412897.db2.gz SWJIHMXPWGCAOS-UHFFFAOYSA-N 0 0 180.251 2.310 10 30 AEEERN C[C@@H](C#N)CC1CCC1 107217101 573412930 /nfs/dbraw/zinc/41/29/30/573412930.db2.gz HMXVWKNYUWSDJM-SSDOTTSWSA-N 0 0 123.199 2.336 10 30 AEEERN C#Cc1oc2ccccc2c1[C@@H](C)O 238381463 573412982 /nfs/dbraw/zinc/41/29/82/573412982.db2.gz UQEIHBMUDYENDP-MRVPVSSYSA-N 0 0 186.210 2.467 10 30 AEEERN CN[C@H](S)c1ccc(C)cc1C 259442230 573417201 /nfs/dbraw/zinc/41/72/01/573417201.db2.gz OOWKHONDCHWWQP-SNVBAGLBSA-N 0 0 181.304 2.451 10 30 AEEERN Cc1c(N)c2scc(C)n2c1C#N 259442684 573417089 /nfs/dbraw/zinc/41/70/89/573417089.db2.gz NHVYUSMLPKVZAL-UHFFFAOYSA-N 0 0 191.259 2.072 10 30 AEEERN COc1cc(C)nc(C#N)c1C(F)F 238383420 573417094 /nfs/dbraw/zinc/41/70/94/573417094.db2.gz RBGSUAPTDHYFHJ-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN C=C(C)[C@@H]1C(=O)N[C@@H]1/C=C/CCCC 238194259 573417131 /nfs/dbraw/zinc/41/71/31/573417131.db2.gz HOVPECDEBBUUHL-SFEFJYQLSA-N 0 0 193.290 2.424 10 30 AEEERN C[C@@H]1SCC[C@@H]1CC#N 107218153 573417154 /nfs/dbraw/zinc/41/71/54/573417154.db2.gz RAHKFEVJLPUYAQ-BQBZGAKWSA-N 0 0 141.239 2.042 10 30 AEEERN C[C@@H]([NH3+])c1[nH]c2ccccc2c1C#N 238383204 573416662 /nfs/dbraw/zinc/41/66/62/573416662.db2.gz AFWYKGYYVLAASF-SSDOTTSWSA-N 0 0 185.230 2.059 10 30 AEEERN C=C(C)C[C@H](SC)C(C)=O 238384675 573416703 /nfs/dbraw/zinc/41/67/03/573416703.db2.gz GRVDNGAIEQCLMK-QMMMGPOBSA-N 0 0 158.266 2.273 10 30 AEEERN Cc1ccc([C@H](N)C2(C#N)CCC2)o1 259443066 573416888 /nfs/dbraw/zinc/41/68/88/573416888.db2.gz NRROEAZXPYJHCD-JTQLQIEISA-N 0 0 190.246 2.282 10 30 AEEERN CC1=CCC[C@]2(C)O[C@@H]2CCC[C@@H]1O 308579122 573419357 /nfs/dbraw/zinc/41/93/57/573419357.db2.gz IYLQQOKFCRMTEM-TUAOUCFPSA-N 0 0 196.290 2.415 10 30 AEEERN COc1c(C)c(F)c(C)c(C#N)c1O 258019124 573419511 /nfs/dbraw/zinc/41/95/11/573419511.db2.gz IAHLHNQZGFEEEV-UHFFFAOYSA-N 0 0 195.193 2.028 10 30 AEEERN CCOC=Nc1oc(C)c(C)c1C#N 308381702 573419542 /nfs/dbraw/zinc/41/95/42/573419542.db2.gz ZDRNLWUPWVFXPL-UHFFFAOYSA-N 0 0 192.218 2.464 10 30 AEEERN C#CC[C@H](C)[C@H](O)C(C)(C)C 238383834 573419552 /nfs/dbraw/zinc/41/95/52/573419552.db2.gz DRNGMHQJOXJQHE-IUCAKERBSA-N 0 0 154.253 2.053 10 30 AEEERN CC(=O)c1cc2ccc(C#N)cc2[nH]1 259611120 573419690 /nfs/dbraw/zinc/41/96/90/573419690.db2.gz FXAAZUKSAQLSRL-UHFFFAOYSA-N 0 0 184.198 2.242 10 30 AEEERN Cc1nccn1-c1cccc(CC#N)c1 214887220 573419871 /nfs/dbraw/zinc/41/98/71/573419871.db2.gz WHTNGHVIGBJDKD-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN CC#CCOCc1ccc(F)cc1 258024401 573421099 /nfs/dbraw/zinc/42/10/99/573421099.db2.gz OJECBYOYPHOLST-UHFFFAOYSA-N 0 0 178.206 2.366 10 30 AEEERN Cc1cccc2c1[C@H](CC=O)CN2C 258026026 573420361 /nfs/dbraw/zinc/42/03/61/573420361.db2.gz DLNAYRVXLDCUQN-SNVBAGLBSA-N 0 0 189.258 2.117 10 30 AEEERN C[C@@H]1C=CC(=O)[C@@H]1C(C)(C)C 238399515 573420439 /nfs/dbraw/zinc/42/04/39/573420439.db2.gz CDBWNJHILGIMED-VXNVDRBHSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1ccsc1[C@@H](N)C1(C#N)CC1 259444550 573420561 /nfs/dbraw/zinc/42/05/61/573420561.db2.gz NTLOJFLTXIFOAQ-SECBINFHSA-N 0 0 192.287 2.360 10 30 AEEERN C#Cc1c(OC)cnc2ccccc12 687979560 573420709 /nfs/dbraw/zinc/42/07/09/573420709.db2.gz RQDWRLPHEXZHDD-UHFFFAOYSA-N 0 0 183.210 2.225 10 30 AEEERN C#CCC[C@@H](CCC1CCCC1)NN 133713713 573423731 /nfs/dbraw/zinc/42/37/31/573423731.db2.gz NIHFGWVNKFYHQQ-LBPRGKRZSA-N 0 0 194.322 2.202 10 30 AEEERN N#CCc1nc(C2CC2)n2ccccc12 214886728 573420882 /nfs/dbraw/zinc/42/08/82/573420882.db2.gz TYIBGYKFEAEKGR-UHFFFAOYSA-N 0 0 197.241 2.278 10 30 AEEERN C=CCOC(=O)c1ccnc(Cl)c1 213101400 573420948 /nfs/dbraw/zinc/42/09/48/573420948.db2.gz FJCRDTANOPCUED-UHFFFAOYSA-N 0 0 197.621 2.078 10 30 AEEERN O=CCc1cnc(C2CCCC2)o1 258026599 573421003 /nfs/dbraw/zinc/42/10/03/573421003.db2.gz JTLWUMBQNXXKTO-UHFFFAOYSA-N 0 0 179.219 2.074 10 30 AEEERN COC1(c2cccc(CC#N)c2)CC1 259446222 573421066 /nfs/dbraw/zinc/42/10/66/573421066.db2.gz PHDKHZAQFJLCEY-UHFFFAOYSA-N 0 0 187.242 2.388 10 30 AEEERN N#Cc1c(F)c(Cl)cc2c1OCO2 258019363 573423742 /nfs/dbraw/zinc/42/37/42/573423742.db2.gz DJDMXLCZWRRWRI-UHFFFAOYSA-N 0 0 199.568 2.079 10 30 AEEERN Cc1ccc([C@H](C)CC=O)c(O)c1O 258019192 573423777 /nfs/dbraw/zinc/42/37/77/573423777.db2.gz ICBWPVXXOGFYKZ-SSDOTTSWSA-N 0 0 194.230 2.099 10 30 AEEERN Cc1cc([C@H](C)C2(C#N)CC2)[nH]n1 259611379 573423830 /nfs/dbraw/zinc/42/38/30/573423830.db2.gz HHFRAFVPAVMILK-QMMMGPOBSA-N 0 0 175.235 2.125 10 30 AEEERN Cc1cc(C[C@@H](C)O)cc(C#N)c1C 258024597 573423841 /nfs/dbraw/zinc/42/38/41/573423841.db2.gz IKKWSKIYIYIPGQ-SECBINFHSA-N 0 0 189.258 2.098 10 30 AEEERN C[C@H]1O[C@H]1c1ccc2[nH]cnc2c1 259445659 573424043 /nfs/dbraw/zinc/42/40/43/573424043.db2.gz VNANPDBSTKCORE-LHLIQPBNSA-N 0 0 174.203 2.023 10 30 AEEERN C[C@@H]1O[C@H]1c1ccc2[nH]cnc2c1 259445662 573424130 /nfs/dbraw/zinc/42/41/30/573424130.db2.gz VNANPDBSTKCORE-QUBYGPBYSA-N 0 0 174.203 2.023 10 30 AEEERN C=C[C@H](O)[C@]1(SC)CCCS1 238391448 573424185 /nfs/dbraw/zinc/42/41/85/573424185.db2.gz LJOUXOABAKSBMQ-YUMQZZPRSA-N 0 0 190.333 2.120 10 30 AEEERN C[C@H]1O[C@@H]1c1ccc2[nH]cnc2c1 259445657 573424446 /nfs/dbraw/zinc/42/44/46/573424446.db2.gz VNANPDBSTKCORE-LDWIPMOCSA-N 0 0 174.203 2.023 10 30 AEEERN C[C@@H]1O[C@@H]1c1ccc2[nH]cnc2c1 259445664 573424460 /nfs/dbraw/zinc/42/44/60/573424460.db2.gz VNANPDBSTKCORE-WKEGUHRASA-N 0 0 174.203 2.023 10 30 AEEERN COc1cccc(C/C=C\CC=O)c1 258023637 573424474 /nfs/dbraw/zinc/42/44/74/573424474.db2.gz BTAZPKXOKULTRZ-IHWYPQMZSA-N 0 0 190.242 2.383 10 30 AEEERN SCc1cn2ccc(Cl)cc2n1 258648196 573424498 /nfs/dbraw/zinc/42/44/98/573424498.db2.gz WPFGSQNYNVBTQB-UHFFFAOYSA-N 0 0 198.678 2.418 10 30 AEEERN CCc1ccc([C@@H](S)NC)cc1 259445597 573424610 /nfs/dbraw/zinc/42/46/10/573424610.db2.gz ORFLZBKBRJZGDR-SNVBAGLBSA-N 0 0 181.304 2.397 10 30 AEEERN CS[C@H](C#N)[Si](C)(C)C 238391850 573424636 /nfs/dbraw/zinc/42/46/36/573424636.db2.gz SXNNRIVSRGIQNS-LURJTMIESA-N 0 0 159.330 2.119 10 30 AEEERN COc1cc(O)c(CC#N)cc1Cl 238390860 573424699 /nfs/dbraw/zinc/42/46/99/573424699.db2.gz CKQAUWIREGABET-UHFFFAOYSA-N 0 0 197.621 2.120 10 30 AEEERN Oc1cc(CS)ccc1Cl 258019230 573424705 /nfs/dbraw/zinc/42/47/05/573424705.db2.gz BTQZVZBMPPEUQN-UHFFFAOYSA-N 0 0 174.652 2.475 10 30 AEEERN CC#C[C@@H](OC)c1ccccc1C=O 238390864 573424715 /nfs/dbraw/zinc/42/47/15/573424715.db2.gz ZUFLMKWMJRBDPC-GFCCVEGCSA-N 0 0 188.226 2.210 10 30 AEEERN COc1cc(CC#N)c(C(F)F)cn1 238391707 573424740 /nfs/dbraw/zinc/42/47/40/573424740.db2.gz VBJRLVQPLAGRHT-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN Cc1cnn(-c2ccccc2CC#N)c1 214887292 573424794 /nfs/dbraw/zinc/42/47/94/573424794.db2.gz JICDIMPHUQNLTJ-UHFFFAOYSA-N 0 0 197.241 2.247 10 30 AEEERN COc1cnc(C#N)c(C)c1C(F)F 238390990 573424885 /nfs/dbraw/zinc/42/48/85/573424885.db2.gz IGZALYNRCIXHBV-UHFFFAOYSA-N 0 0 198.172 2.208 10 30 AEEERN CCc1ccc([C@H](S)NC)cc1 259445596 573424886 /nfs/dbraw/zinc/42/48/86/573424886.db2.gz ORFLZBKBRJZGDR-JTQLQIEISA-N 0 0 181.304 2.397 10 30 AEEERN CC[C@@H](C)C[C@@H](O)C1(C#N)CC1 394433418 573424897 /nfs/dbraw/zinc/42/48/97/573424897.db2.gz YVSSQKUQVACVQK-RKDXNWHRSA-N 0 0 167.252 2.087 10 30 AEEERN Cc1ccc(C=NOCCCF)o1 308389106 573424899 /nfs/dbraw/zinc/42/48/99/573424899.db2.gz XAXKQUVPWPEPNN-UHFFFAOYSA-N 0 0 185.198 2.298 10 30 AEEERN O=CC/C=C\C1CCSCC1 258026318 573424925 /nfs/dbraw/zinc/42/49/25/573424925.db2.gz BTYXWXGFIXNRMS-IWQZZHSRSA-N 0 0 170.277 2.275 10 30 AEEERN N#CCCc1cccc2ocnc12 259611362 573424974 /nfs/dbraw/zinc/42/49/74/573424974.db2.gz HHEGFENIIUQZTM-UHFFFAOYSA-N 0 0 172.187 2.284 10 30 AEEERN CCc1nc2c(o1)[C@H](C#N)CCC2 259611345 573425146 /nfs/dbraw/zinc/42/51/46/573425146.db2.gz HGLKRFDSDBHGFU-ZETCQYMHSA-N 0 0 176.219 2.180 10 30 AEEERN C=CCCC[C@@H](C)CCO 34268128 573425266 /nfs/dbraw/zinc/42/52/66/573425266.db2.gz NPFMMNUXJYELCI-SECBINFHSA-N 0 0 142.242 2.361 10 30 AEEERN C=C1C=C(C)[C@]2(C)[C@H](C)C(=O)N[C@@]12C 238392355 573427772 /nfs/dbraw/zinc/42/77/72/573427772.db2.gz DUTVXPNQNBUPSG-JLLWLGSASA-N 0 0 191.274 2.033 10 30 AEEERN C=C(CCO)CCCC 144148635 573427777 /nfs/dbraw/zinc/42/77/77/573427777.db2.gz ZPLYSVMRQUOURS-UHFFFAOYSA-N 0 0 128.215 2.115 10 30 AEEERN CC(C)(C#N)c1cncc2ccncc12 214887789 573427141 /nfs/dbraw/zinc/42/71/41/573427141.db2.gz RAIVJLHDEXKPKH-UHFFFAOYSA-N 0 0 197.241 2.431 10 30 AEEERN C=CCCCCC(=O)CS 144179303 573427308 /nfs/dbraw/zinc/42/73/08/573427308.db2.gz BCVFZIKZNWCIGH-UHFFFAOYSA-N 0 0 158.266 2.232 10 30 AEEERN COc1ccc(C)cc1[C@@](C)(F)C=O 257811320 573427521 /nfs/dbraw/zinc/42/75/21/573427521.db2.gz BDRTWZPHYJFQOY-NSHDSACASA-N 0 0 196.221 2.387 10 30 AEEERN C=CCCSc1nnc(C)c(C)n1 308382376 573427537 /nfs/dbraw/zinc/42/75/37/573427537.db2.gz RGUFRBWOWKJVMZ-UHFFFAOYSA-N 0 0 195.291 2.157 10 30 AEEERN C#C[C@@H](C)C[C@@H](O)c1ccccc1 238393354 573427603 /nfs/dbraw/zinc/42/76/03/573427603.db2.gz FFGCQFIPBJAOCL-ZYHUDNBSSA-N 0 0 174.243 2.379 10 30 AEEERN COc1cc(CC#N)cnc1C(F)F 238392673 573427692 /nfs/dbraw/zinc/42/76/92/573427692.db2.gz NGOVBCNJJHMOER-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN C=C[C@@](C)(O)c1ccccc1[C@@H](C)O 238391969 573430794 /nfs/dbraw/zinc/43/07/94/573430794.db2.gz UCLYTWIHRYPBLF-BXKDBHETSA-N 0 0 192.258 2.133 10 30 AEEERN COc1cc(CC#N)cc(C(F)F)n1 238392231 573430832 /nfs/dbraw/zinc/43/08/32/573430832.db2.gz ZCCXCFJQWCKJLD-UHFFFAOYSA-N 0 0 198.172 2.094 10 30 AEEERN N#Cc1ccc(F)c(N2CCCC2)c1 144120461 573430874 /nfs/dbraw/zinc/43/08/74/573430874.db2.gz VUPYSGQEURQVJI-UHFFFAOYSA-N 0 0 190.221 2.298 10 30 AEEERN C#CCC[C@H](NN)C1(CC)CCCC1 133714729 573431041 /nfs/dbraw/zinc/43/10/41/573431041.db2.gz LEBAHWIOMHPIOL-NSHDSACASA-N 0 0 194.322 2.202 10 30 AEEERN C=C[C@@H]([NH3+])c1cccc(OC)c1C 238393087 573431059 /nfs/dbraw/zinc/43/10/59/573431059.db2.gz RQOLQYUAZOVGDB-SNVBAGLBSA-N 0 0 177.247 2.189 10 30 AEEERN C=CC[C@H](C)c1cnc(OC)cn1 715805288 573431071 /nfs/dbraw/zinc/43/10/71/573431071.db2.gz AUSUWGBFGLLFPO-QMMMGPOBSA-N 0 0 178.235 2.165 10 30 AEEERN C=CC[C@H]1C[C@H](C)CC1=O 144170866 573431220 /nfs/dbraw/zinc/43/12/20/573431220.db2.gz WXOVORUIQJSNHV-YUMQZZPRSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1CC(=O)c2cc(OC)ccc21 238393454 573431290 /nfs/dbraw/zinc/43/12/90/573431290.db2.gz NYAYBBVNTNHJLR-UHFFFAOYSA-N 0 0 174.199 2.295 10 30 AEEERN N#CCc1ccc(N2CC=CC2)cc1 118879204 573434480 /nfs/dbraw/zinc/43/44/80/573434480.db2.gz ZKSDVIDLGQLBHS-UHFFFAOYSA-N 0 0 184.242 2.129 10 30 AEEERN C=C(C)[C@H](SC)[C@H](O)/C=C/C 238394507 573434565 /nfs/dbraw/zinc/43/45/65/573434565.db2.gz WGIYJRMFXRXWLU-RKWMXMRGSA-N 0 0 172.293 2.231 10 30 AEEERN CCC[C@H](C#N)[C@@H](O)C1(C)CCC1 686131226 573434576 /nfs/dbraw/zinc/43/45/76/573434576.db2.gz PZCFHMPPZOYBJU-NXEZZACHSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)C1(C)CCC1 686131229 573434825 /nfs/dbraw/zinc/43/48/25/573434825.db2.gz PZCFHMPPZOYBJU-VHSXEESVSA-N 0 0 181.279 2.477 10 30 AEEERN CC(C)n1nc(C#N)c2c1CCCC2 257812306 573434904 /nfs/dbraw/zinc/43/49/04/573434904.db2.gz BRIMMKURYXOBEP-UHFFFAOYSA-N 0 0 189.262 2.214 10 30 AEEERN CO[C@H](C=O)C1=C(C)CCCC1 238398175 573446903 /nfs/dbraw/zinc/44/69/03/573446903.db2.gz GXINFJHJGHDZDR-SNVBAGLBSA-N 0 0 168.236 2.091 10 30 AEEERN CC(=O)C=C(C)N[C@@H](CO)CC(C)C 308586869 573446278 /nfs/dbraw/zinc/44/62/78/573446278.db2.gz MRBYVUXNKCKPFZ-SPRKQYFPSA-N 0 0 199.294 2.316 10 30 AEEERN C=CC(=O)[C@H](OC)c1ccccc1 159490389 573446297 /nfs/dbraw/zinc/44/62/97/573446297.db2.gz WEEYEMIPVFCPJK-LLVKDONJSA-N 0 0 176.215 2.129 10 30 AEEERN O=CC(F)(F)c1cc(F)ccc1F 257816402 573446406 /nfs/dbraw/zinc/44/64/06/573446406.db2.gz DKUWHAHBCDEJNB-UHFFFAOYSA-N 0 0 192.111 2.256 10 30 AEEERN CCCCCNN=CCCCOC 308388880 573446414 /nfs/dbraw/zinc/44/64/14/573446414.db2.gz YOWYADYFOIEMML-UHFFFAOYSA-N 0 0 186.299 2.179 10 30 AEEERN N#Cc1ccc(N[C@@H]2C[C@@H]2C2CC2)cn1 308865230 573446461 /nfs/dbraw/zinc/44/64/61/573446461.db2.gz DVJPXEBHBMSGIC-VXGBXAGGSA-N 0 0 199.257 2.164 10 30 AEEERN CC[C@H](C#N)C(C)(C)F 257816430 573446726 /nfs/dbraw/zinc/44/67/26/573446726.db2.gz BPDWJIWAGXVTFI-ZCFIWIBFSA-N 0 0 129.178 2.284 10 30 AEEERN CCSCCN(CCC#N)C1CC1 126249470 573446749 /nfs/dbraw/zinc/44/67/49/573446749.db2.gz IWDNRLAPHTZGOL-UHFFFAOYSA-N 0 0 198.335 2.118 10 30 AEEERN C[C@@H]1CCC2=C(CC(C)(C)CC2=O)N1 238399304 573446751 /nfs/dbraw/zinc/44/67/51/573446751.db2.gz BSBSHRDPFYZPMF-MRVPVSSYSA-N 0 0 193.290 2.402 10 30 AEEERN C[C@@H]1C=CC[C@H](C=O)[C@@]12CCCC2=O 238402289 573457161 /nfs/dbraw/zinc/45/71/61/573457161.db2.gz CJRGIKFVMMGLDD-CKYFFXLPSA-N 0 0 192.258 2.137 10 30 AEEERN C[C@@H](O)c1ccn(CC(C)(C)C#N)c1 405197239 573457187 /nfs/dbraw/zinc/45/71/87/573457187.db2.gz PAAGKLDCIPNFKZ-SECBINFHSA-N 0 0 192.262 2.091 10 30 AEEERN C[C@@H]1C=C[C@@H](C)[C@H]2C(=O)C=C(O)[C@@H]12 238403440 573457193 /nfs/dbraw/zinc/45/71/93/573457193.db2.gz VHTBEAZRZVVFKJ-CCXSFMJYSA-N 0 0 178.231 2.085 10 30 AEEERN C=C[C@](C)(O)[C@@H](C)Nc1ccccc1 238402921 573457262 /nfs/dbraw/zinc/45/72/62/573457262.db2.gz BSRODOHDMQMMQM-PWSUYJOCSA-N 0 0 191.274 2.424 10 30 AEEERN C=CCC[NH2+]C[C@H](CCC)CC(=O)[O-] 308590515 573457347 /nfs/dbraw/zinc/45/73/47/573457347.db2.gz UZJRYVFKWYLLSV-SNVBAGLBSA-N 0 0 199.294 2.043 10 30 AEEERN CC[C@]1(c2ccccc2O)C[C@@H]1C=O 257814195 573457359 /nfs/dbraw/zinc/45/73/59/573457359.db2.gz CKDONCQHXVANPY-SKDRFNHKSA-N 0 0 190.242 2.259 10 30 AEEERN O[C@H](C#CC1CC1)C1CCCCC1 34583050 573457420 /nfs/dbraw/zinc/45/74/20/573457420.db2.gz PBFBVCWJZBZXLR-GFCCVEGCSA-N 0 0 178.275 2.341 10 30 AEEERN O=CC/C=C\[C@@H]1CCCSC1 258353809 573457441 /nfs/dbraw/zinc/45/74/41/573457441.db2.gz YSYRXISJTGQBRP-RZXPJHQTSA-N 0 0 170.277 2.275 10 30 AEEERN N#C[C@@H]1CCC[C@H](F)C1 107265848 573457477 /nfs/dbraw/zinc/45/74/77/573457477.db2.gz SDHRMYOWTIFLRA-RQJHMYQMSA-N 0 0 127.162 2.038 10 30 AEEERN C#C[C@H](O)/C(C)=C\[C@@H]1CC=CCC1 142596951 573457567 /nfs/dbraw/zinc/45/75/67/573457567.db2.gz PLEQSXZLIAIEPF-CYRCAWSMSA-N 0 0 176.259 2.283 10 30 AEEERN C[C@@H](C=O)[C@H]1CCc2cccc(O)c21 257817682 573457602 /nfs/dbraw/zinc/45/76/02/573457602.db2.gz DWIOQXQRPQERCF-WCBMZHEXSA-N 0 0 190.242 2.257 10 30 AEEERN C=C(C)[C@@H](C)C/C=C/CO 238401981 573457722 /nfs/dbraw/zinc/45/77/22/573457722.db2.gz SRIDSJQLTZLBTM-MOVJSRMASA-N 0 0 140.226 2.137 10 30 AEEERN C=CC[C@@H](O)/C=C/CCC 34566680 573457729 /nfs/dbraw/zinc/45/77/29/573457729.db2.gz QHDCVQLFLABIFR-BNICOGTQSA-N 0 0 140.226 2.280 10 30 AEEERN Cc1cc(C[C@H](C)C=O)ccc1C#N 238403786 573457758 /nfs/dbraw/zinc/45/77/58/573457758.db2.gz NZFURUQPESVQGG-VIFPVBQESA-N 0 0 187.242 2.244 10 30 AEEERN C=CCc1c(C)cc(OC)cc1O 142675445 573457918 /nfs/dbraw/zinc/45/79/18/573457918.db2.gz YQYGFEVRZGUNTQ-UHFFFAOYSA-N 0 0 178.231 2.438 10 30 AEEERN CC(C)(C)C1=CC(=O)C(C)(C)O1 142653596 573457936 /nfs/dbraw/zinc/45/79/36/573457936.db2.gz LPIRSMADTLGVJG-UHFFFAOYSA-N 0 0 168.236 2.294 10 30 AEEERN Cc1ccc([C@H](C#N)c2ccncn2)o1 259100379 573468585 /nfs/dbraw/zinc/46/85/85/573468585.db2.gz JUSZIMAAEDNNAR-SECBINFHSA-N 0 0 199.213 2.034 10 30 AEEERN C#CCON[C@H](C)c1ccccc1F 308592485 573467891 /nfs/dbraw/zinc/46/78/91/573467891.db2.gz WIJSOVAEWYEBOG-SECBINFHSA-N 0 0 193.221 2.041 10 30 AEEERN C=C1CC[C@@H]2CC[C@H]12 141108213 573467935 /nfs/dbraw/zinc/46/79/35/573467935.db2.gz YENRYPGPPWPITJ-HTQZYQBOSA-N 0 0 108.184 2.363 10 30 AEEERN CC(C)(C)C(F)(F)C#N 107274008 573468014 /nfs/dbraw/zinc/46/80/14/573468014.db2.gz FHRXXWRAHJZJDL-UHFFFAOYSA-N 0 0 133.141 2.191 10 30 AEEERN O=CC/C=C\[C@@H]1CCCCS1 258357494 573468062 /nfs/dbraw/zinc/46/80/62/573468062.db2.gz ZAZSDUPLYOXDKN-AMFUIUNQSA-N 0 0 170.277 2.417 10 30 AEEERN C[C@@H](c1ccccc1C#N)[C@@H](C)O 238408763 573468116 /nfs/dbraw/zinc/46/81/16/573468116.db2.gz JFXJFHUPCZRJTN-RKDXNWHRSA-N 0 0 175.231 2.043 10 30 AEEERN C=CC[C@H](C)[C@@H](O)C(=C)C 238409649 573468142 /nfs/dbraw/zinc/46/81/42/573468142.db2.gz ORHKHTRZKJUQIC-IUCAKERBSA-N 0 0 140.226 2.136 10 30 AEEERN N#C[C@@H]1CCC[C@@H](c2ccccc2)N1 258499054 573468484 /nfs/dbraw/zinc/46/84/84/573468484.db2.gz FWEPVPVPAJCENR-RYUDHWBXSA-N 0 0 186.258 2.393 10 30 AEEERN CC(C)[C@@H](CC=O)CCC#N 238227725 573468502 /nfs/dbraw/zinc/46/85/02/573468502.db2.gz BIBQGWRDFDKWTC-SECBINFHSA-N 0 0 153.225 2.151 10 30 AEEERN C=CCn1cncc1[C@@H]([NH3+])CC(C)C 130100121 573468631 /nfs/dbraw/zinc/46/86/31/573468631.db2.gz AYHWTVHCABHJDS-JTQLQIEISA-N 0 0 193.294 2.115 10 30 AEEERN C[C@@H]1CC(=O)C[C@@]12CC[C@@H](CC=O)C2 238409958 573468713 /nfs/dbraw/zinc/46/87/13/573468713.db2.gz QSXPSFZLXIGOSL-SCVCMEIPSA-N 0 0 194.274 2.361 10 30 AEEERN N#CC[C@@H](F)Cc1ccccc1 107274853 573468740 /nfs/dbraw/zinc/46/87/40/573468740.db2.gz UYLPWEIXQZSLJK-SNVBAGLBSA-N 0 0 163.195 2.481 10 30 AEEERN C=CC[C@H](C)[C@H](O)C(=C)C 238409849 573468938 /nfs/dbraw/zinc/46/89/38/573468938.db2.gz ORHKHTRZKJUQIC-DTWKUNHWSA-N 0 0 140.226 2.136 10 30 AEEERN C[C@@H](C#N)[C@@H](O)/C=C/c1ccccc1 238409728 573468965 /nfs/dbraw/zinc/46/89/65/573468965.db2.gz XDMGPOSMCTYESI-HUAGXHDJSA-N 0 0 187.242 2.220 10 30 AEEERN Cc1ccc([C@H](C)[C@@H](C)O)c(C#N)c1 238408691 573468994 /nfs/dbraw/zinc/46/89/94/573468994.db2.gz ZCJRZJUQCHZPIR-NXEZZACHSA-N 0 0 189.258 2.351 10 30 AEEERN N#CC(F)(F)Cc1ccccc1 107274597 573469199 /nfs/dbraw/zinc/46/91/99/573469199.db2.gz IBFDZNSVXCXABR-UHFFFAOYSA-N 0 0 167.158 2.388 10 30 AEEERN C=C1CC[C@H](O)C(C)(C)[C@@H]1/C=C\OC 308584023 573469202 /nfs/dbraw/zinc/46/92/02/573469202.db2.gz LDUXDTZLLZRURE-UOECRDIDSA-N 0 0 196.290 2.500 10 30 AEEERN CC(C)=C1C=CC(=O)[C@H](C)C1 238405578 573469254 /nfs/dbraw/zinc/46/92/54/573469254.db2.gz XRPZDFFUDNGCCR-MRVPVSSYSA-N 0 0 150.221 2.488 10 30 AEEERN CCS[C@@H](C#N)C(F)(F)F 86501783 573469293 /nfs/dbraw/zinc/46/92/93/573469293.db2.gz PRSRRVLQDSUGSE-BYPYZUCNSA-N 0 0 169.171 2.194 10 30 AEEERN N#C[C@H]1CCC[C@H](c2ccccc2)N1 258499057 573469314 /nfs/dbraw/zinc/46/93/14/573469314.db2.gz FWEPVPVPAJCENR-VXGBXAGGSA-N 0 0 186.258 2.393 10 30 AEEERN C=CC[C@H](C)C(C)(C)CO 238409134 573469452 /nfs/dbraw/zinc/46/94/52/573469452.db2.gz JULLBVJMOPFSBC-QMMMGPOBSA-N 0 0 142.242 2.217 10 30 AEEERN CCOC(=O)C1(C#N)CC2(CCC2)C1 86501591 573469514 /nfs/dbraw/zinc/46/95/14/573469514.db2.gz CIHHJUIEKFRMLW-UHFFFAOYSA-N 0 0 193.246 2.024 10 30 AEEERN C=CCCC(=O)[C@@H](CC)OCC 131731680 573469529 /nfs/dbraw/zinc/46/95/29/573469529.db2.gz DDQFNLONPFXKCY-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN C=C1C[C@@H](C)C(=O)[C@H](C)C1 238405712 573469577 /nfs/dbraw/zinc/46/95/77/573469577.db2.gz NMSZPQBLOVVSGG-HTQZYQBOSA-N 0 0 138.210 2.178 10 30 AEEERN CCCCNc1ccc(CC#N)cn1 308584202 573469600 /nfs/dbraw/zinc/46/96/00/573469600.db2.gz HSCNKWJVELZHEA-UHFFFAOYSA-N 0 0 189.262 2.360 10 30 AEEERN N#Cc1cccnc1-c1ccccn1 141608538 573469851 /nfs/dbraw/zinc/46/98/51/573469851.db2.gz QJBRLLHXVORJEF-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN CCS[C@H](C#N)C(F)(F)F 86501785 573469859 /nfs/dbraw/zinc/46/98/59/573469859.db2.gz PRSRRVLQDSUGSE-SCSAIBSYSA-N 0 0 169.171 2.194 10 30 AEEERN CCC1=CC(=O)[C@@H](C)CC1 224167309 573469895 /nfs/dbraw/zinc/46/98/95/573469895.db2.gz ZELYEITWJRDFJE-ZETCQYMHSA-N 0 0 138.210 2.322 10 30 AEEERN N#C[C@H](F)Cc1ccccc1 107274593 573469931 /nfs/dbraw/zinc/46/99/31/573469931.db2.gz MJGRVBQWTZOOPF-SECBINFHSA-N 0 0 149.168 2.091 10 30 AEEERN C=C[C@H]([C@@H](C)O)[Si](C)(C)C 238409086 573470057 /nfs/dbraw/zinc/47/00/57/573470057.db2.gz IOOQWZLTQNRTRG-HTQZYQBOSA-N 0 0 158.317 2.262 10 30 AEEERN C[C@H](C=O)Cc1cccc(F)c1C#N 238409280 573470064 /nfs/dbraw/zinc/47/00/64/573470064.db2.gz IWNSBGKRQCHIDW-QMMMGPOBSA-N 0 0 191.205 2.075 10 30 AEEERN C[C@H](C=O)Cc1cccc(Cl)c1N 238409206 573470094 /nfs/dbraw/zinc/47/00/94/573470094.db2.gz SJGNMTXGRFNXFN-ZETCQYMHSA-N 0 0 197.665 2.300 10 30 AEEERN C[C@@H]1OC2=C(C(=O)CCC2)[C@H]1C 238408653 573470220 /nfs/dbraw/zinc/47/02/20/573470220.db2.gz PBGNMFQBQKUSEU-BQBZGAKWSA-N 0 0 166.220 2.048 10 30 AEEERN N#C[C@@H]1CCC[C@H](c2ccccc2)N1 258499052 573470272 /nfs/dbraw/zinc/47/02/72/573470272.db2.gz FWEPVPVPAJCENR-NWDGAFQWSA-N 0 0 186.258 2.393 10 30 AEEERN C=CCCOC(=O)CC(C)C 138446045 573470309 /nfs/dbraw/zinc/47/03/09/573470309.db2.gz DHYMXZNEIYLEDT-UHFFFAOYSA-N 0 0 156.225 2.152 10 30 AEEERN CC(=O)c1cccc(NCCS)c1 258662870 573470422 /nfs/dbraw/zinc/47/04/22/573470422.db2.gz NUKUIFSTJXKGHG-UHFFFAOYSA-N 0 0 195.287 2.231 10 30 AEEERN CC(C)C(F)(F)CC#N 107273533 573470426 /nfs/dbraw/zinc/47/04/26/573470426.db2.gz RTUKVGNUIVVUFX-UHFFFAOYSA-N 0 0 133.141 2.191 10 30 AEEERN CC[C@H](CC#N)[C@@H](C)F 257820713 573470441 /nfs/dbraw/zinc/47/04/41/573470441.db2.gz DMUFVEYPBROUAN-RNFRBKRXSA-N 0 0 129.178 2.284 10 30 AEEERN CC(C)(C)[C@H](F)CC#N 107274217 573470458 /nfs/dbraw/zinc/47/04/58/573470458.db2.gz ZMUSTIFIGCPQPN-ZCFIWIBFSA-N 0 0 129.178 2.284 10 30 AEEERN C=C[C@H]([C@@H](C)O)C(C)(C)C 238408988 573470516 /nfs/dbraw/zinc/47/05/16/573470516.db2.gz ABEFSRMUCYCEDC-HTQZYQBOSA-N 0 0 142.242 2.216 10 30 AEEERN C=C1[C@H](O)c2ccccc2C[C@H]1C 238409407 573470532 /nfs/dbraw/zinc/47/05/32/573470532.db2.gz YBWWYUHYXAHPCD-PELKAZGASA-N 0 0 174.243 2.468 10 30 AEEERN C[C@H](C=O)Cc1cccc(Cl)c1O 238409229 573470547 /nfs/dbraw/zinc/47/05/47/573470547.db2.gz BSHUWWYPLLZPFY-ZETCQYMHSA-N 0 0 198.649 2.423 10 30 AEEERN CCOC(=O)[C@@H](C#N)CC1(C)CCC1 308584557 573470828 /nfs/dbraw/zinc/47/08/28/573470828.db2.gz RBSSALKFUKINEL-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CCC1=CC(=O)[C@H](C)CC1 224167265 573470842 /nfs/dbraw/zinc/47/08/42/573470842.db2.gz ZELYEITWJRDFJE-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN Cc1c(O)cccc1C[C@H](C)C=O 238409794 573470858 /nfs/dbraw/zinc/47/08/58/573470858.db2.gz ORFBEXNDXCKXSR-QMMMGPOBSA-N 0 0 178.231 2.078 10 30 AEEERN N#Cc1c(F)cccc1-c1ncccn1 715818130 573472932 /nfs/dbraw/zinc/47/29/32/573472932.db2.gz XZXFXOFCTDXYGL-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN CC[C@@H](CC#N)[C@@H](C)F 257820714 573473058 /nfs/dbraw/zinc/47/30/58/573473058.db2.gz DMUFVEYPBROUAN-RQJHMYQMSA-N 0 0 129.178 2.284 10 30 AEEERN CCCOc1cc(C)nc(C#N)c1 306418099 573473156 /nfs/dbraw/zinc/47/31/56/573473156.db2.gz ZMFWPIILTNBCBL-UHFFFAOYSA-N 0 0 176.219 2.051 10 30 AEEERN Cc1ccc([C@@H]2C[C@H]2C#N)o1 259100470 573473245 /nfs/dbraw/zinc/47/32/45/573473245.db2.gz JVYKUYAZDQIBRN-JGVFFNPUSA-N 0 0 147.177 2.215 10 30 AEEERN Cc1ccc([C@H]2C[C@H]2C#N)o1 259100473 573473279 /nfs/dbraw/zinc/47/32/79/573473279.db2.gz JVYKUYAZDQIBRN-YUMQZZPRSA-N 0 0 147.177 2.215 10 30 AEEERN C[C@@H](CC=O)[C@H]1C=CC1(C)C 238412433 573473361 /nfs/dbraw/zinc/47/33/61/573473361.db2.gz KBRJAWUPIJFLLP-DTWKUNHWSA-N 0 0 152.237 2.424 10 30 AEEERN CC[C@@H](C1CC1)[N@H+](C)C[C@@H](C)C#N 308391222 573473365 /nfs/dbraw/zinc/47/33/65/573473365.db2.gz ZRNRUERDIVCKGX-ONGXEEELSA-N 0 0 180.295 2.266 10 30 AEEERN CSc1ccc(CC#N)o1 238411662 573473379 /nfs/dbraw/zinc/47/33/79/573473379.db2.gz HXOWWZHQIJJBHH-UHFFFAOYSA-N 0 0 153.206 2.068 10 30 AEEERN C[C@@H](O)C#CC/C=C/c1ccccc1 238411677 573473402 /nfs/dbraw/zinc/47/34/02/573473402.db2.gz RWMMFQIRIJGJQU-BIPYJSMBSA-N 0 0 186.254 2.474 10 30 AEEERN C[C@@H](O)C#CCCCc1ccccc1 238412266 573473559 /nfs/dbraw/zinc/47/35/59/573473559.db2.gz YBOQBAGQWWZSLA-GFCCVEGCSA-N 0 0 188.270 2.394 10 30 AEEERN CC1=CC[C@](O)([C@@H](C)CC=O)CC1 238412721 573473610 /nfs/dbraw/zinc/47/36/10/573473610.db2.gz ZQGPEJJXSJTEJL-WDEREUQCSA-N 0 0 182.263 2.073 10 30 AEEERN C/C=C\CCNC(=O)[C@H](C#N)CCC 308391808 573473806 /nfs/dbraw/zinc/47/38/06/573473806.db2.gz MZEQXXWEFGJEJS-ATPLWMGHSA-N 0 0 194.278 2.009 10 30 AEEERN Cc1ccc([C@@H](C#N)c2ccncn2)o1 259100382 573473856 /nfs/dbraw/zinc/47/38/56/573473856.db2.gz JUSZIMAAEDNNAR-VIFPVBQESA-N 0 0 199.213 2.034 10 30 AEEERN C[C@@H](O)C#CCC1CCCCC1 238412056 573474057 /nfs/dbraw/zinc/47/40/57/573474057.db2.gz XKYLSQZXFCFFJI-SNVBAGLBSA-N 0 0 166.264 2.341 10 30 AEEERN COc1cccc([C@H]2CO2)c1C 238412543 573474067 /nfs/dbraw/zinc/47/40/67/573474067.db2.gz ZIRRMDXORKNXOC-SNVBAGLBSA-N 0 0 164.204 2.075 10 30 AEEERN C[C@@H](CC=O)[C@]1(C)CCCCC1=O 238412688 573474159 /nfs/dbraw/zinc/47/41/59/573474159.db2.gz MPZUUHDHAWEVPQ-ONGXEEELSA-N 0 0 182.263 2.361 10 30 AEEERN C[C@@H](CC=O)[C@@]1(C)CCCCC1=O 238412271 573474177 /nfs/dbraw/zinc/47/41/77/573474177.db2.gz MPZUUHDHAWEVPQ-GXSJLCMTSA-N 0 0 182.263 2.361 10 30 AEEERN C#CC[C@@H]1Cc2ccccc2N1 83389024 573474209 /nfs/dbraw/zinc/47/42/09/573474209.db2.gz UDEIMXATAJSLJY-SNVBAGLBSA-N 0 0 157.216 2.047 10 30 AEEERN CC/C=C1\Cn2cccc2C1=O 142193913 573474257 /nfs/dbraw/zinc/47/42/57/573474257.db2.gz KPUHCNIXMHKIBV-XBXARRHUSA-N 0 0 161.204 2.021 10 30 AEEERN C=C(CO)[C@@H](C)OCc1ccccc1 238412015 573474264 /nfs/dbraw/zinc/47/42/64/573474264.db2.gz ZYMCNIFXTLUQDF-LLVKDONJSA-N 0 0 192.258 2.140 10 30 AEEERN C#Cc1ccccc1C[C@H](C)C=O 238412334 573474410 /nfs/dbraw/zinc/47/44/10/573474410.db2.gz HPSJRCGUZRUEQF-JTQLQIEISA-N 0 0 172.227 2.045 10 30 AEEERN C[C@@H]1CCC[C@@H]2CC(=O)C(=O)C12 238412771 573474506 /nfs/dbraw/zinc/47/45/06/573474506.db2.gz RYSPMUBMELAVRD-RNFRBKRXSA-N 0 0 166.220 2.208 10 30 AEEERN C[C@@H]1CCC[C@@H]2C=CC(=O)[C@H]12 238412691 573474610 /nfs/dbraw/zinc/47/46/10/573474610.db2.gz XMWNGJBSGNLYKF-NQMVMOMDSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(CO)[C@H](C)[Si](C)(C)C 238411874 573474637 /nfs/dbraw/zinc/47/46/37/573474637.db2.gz WRRJYQXUASKPHB-QMMMGPOBSA-N 0 0 158.317 2.263 10 30 AEEERN C[C@@H](CC=O)[C@@H]1C=CC1(C)C 238411905 573474641 /nfs/dbraw/zinc/47/46/41/573474641.db2.gz KBRJAWUPIJFLLP-IUCAKERBSA-N 0 0 152.237 2.424 10 30 AEEERN CSc1ccc(CC#N)cc1O 238411645 573474694 /nfs/dbraw/zinc/47/46/94/573474694.db2.gz PVTKDNDBIGOSON-UHFFFAOYSA-N 0 0 179.244 2.180 10 30 AEEERN CSc1ccc(CCC=O)o1 238412585 573474763 /nfs/dbraw/zinc/47/47/63/573474763.db2.gz FETPYEZGBDYYCX-UHFFFAOYSA-N 0 0 170.233 2.133 10 30 AEEERN O=CCCc1ccc2c(c1O)CCC2 258045135 573474831 /nfs/dbraw/zinc/47/48/31/573474831.db2.gz KBLLSCDZMTZRNR-UHFFFAOYSA-N 0 0 190.242 2.012 10 30 AEEERN C[C@@H](C#N)c1cccc2c1NCC2 238411659 573474987 /nfs/dbraw/zinc/47/49/87/573474987.db2.gz VFFFGJAVDOOMLY-QMMMGPOBSA-N 0 0 172.231 2.282 10 30 AEEERN Cc1ccc([C@@H]2C[C@@H]2C#N)o1 259100468 573475053 /nfs/dbraw/zinc/47/50/53/573475053.db2.gz JVYKUYAZDQIBRN-HTQZYQBOSA-N 0 0 147.177 2.215 10 30 AEEERN COc1cc([C@@H](C)C=O)ccc1C 238412048 573475139 /nfs/dbraw/zinc/47/51/39/573475139.db2.gz PMEIKTANQILEMI-VIFPVBQESA-N 0 0 178.231 2.306 10 30 AEEERN CC1=CC[C@@](O)([C@@H](C)CC=O)CC1 238412320 573475378 /nfs/dbraw/zinc/47/53/78/573475378.db2.gz ZQGPEJJXSJTEJL-QWRGUYRKSA-N 0 0 182.263 2.073 10 30 AEEERN CC1=C([C@H](C)C#N)C(=O)C(C)(C)C1 238412073 573475392 /nfs/dbraw/zinc/47/53/92/573475392.db2.gz UJBWWSDHMYGHIM-MRVPVSSYSA-N 0 0 177.247 2.462 10 30 AEEERN C/C=C\CCNC(=O)[C@](C)(C#N)CC 308392153 573475478 /nfs/dbraw/zinc/47/54/78/573475478.db2.gz NZCTUPZEWYAJTQ-QZPNVGJNSA-N 0 0 194.278 2.009 10 30 AEEERN COc1ccc(Cl)c(F)c1C#N 258045162 573475534 /nfs/dbraw/zinc/47/55/34/573475534.db2.gz KCKHPHHLGZYCFD-UHFFFAOYSA-N 0 0 185.585 2.359 10 30 AEEERN CC(=O)/C=C\c1cccc(C#N)c1 144899602 573475645 /nfs/dbraw/zinc/47/56/45/573475645.db2.gz SRLASSFMVWNIAM-WAYWQWQTSA-N 0 0 171.199 2.160 10 30 AEEERN Cc1noc(C#N)c1-c1ccco1 259464753 573475684 /nfs/dbraw/zinc/47/56/84/573475684.db2.gz PKKIFAGPXCSZAT-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN Cc1ccc([C@H]2C[C@@H]2C#N)o1 259100471 573475096 /nfs/dbraw/zinc/47/50/96/573475096.db2.gz JVYKUYAZDQIBRN-SFYZADRCSA-N 0 0 147.177 2.215 10 30 AEEERN C[C@@H](C#N)c1nc2cc(F)ccc2[nH]1 107288342 573479186 /nfs/dbraw/zinc/47/91/86/573479186.db2.gz JROBGQOMXPBCGA-LURJTMIESA-N 0 0 189.193 2.329 10 30 AEEERN O=CC(F)(F)c1ccc(Cl)o1 257818476 573479490 /nfs/dbraw/zinc/47/94/90/573479490.db2.gz DZWVDXQGMWLUDX-UHFFFAOYSA-N 0 0 180.537 2.224 10 30 AEEERN CC[C@H](C)N[C@@]1(C#N)CCC[C@@H]1C 83393458 573479498 /nfs/dbraw/zinc/47/94/98/573479498.db2.gz SQKFUJLMEWRSIV-GARJFASQSA-N 0 0 180.295 2.457 10 30 AEEERN CSC1=CCC[C@@H](C)C1=O 238413651 573479535 /nfs/dbraw/zinc/47/95/35/573479535.db2.gz SJYOGPILUWCBGN-ZCFIWIBFSA-N 0 0 156.250 2.232 10 30 AEEERN Cc1sc2c(N)c(C#N)[nH]c2c1C 259467626 573479581 /nfs/dbraw/zinc/47/95/81/573479581.db2.gz MMTHHFYJNPLNNB-UHFFFAOYSA-N 0 0 191.259 2.300 10 30 AEEERN C[C@@H](O)C#Cc1cccc2occc12 238414156 573479713 /nfs/dbraw/zinc/47/97/13/573479713.db2.gz ZYMCDBLCLZZMSV-SECBINFHSA-N 0 0 186.210 2.165 10 30 AEEERN C[C@H](C#N)c1nc2cc(F)ccc2[nH]1 107288345 573479720 /nfs/dbraw/zinc/47/97/20/573479720.db2.gz JROBGQOMXPBCGA-ZCFIWIBFSA-N 0 0 189.193 2.329 10 30 AEEERN CC(C)(C#N)NCc1cccc(F)c1 258669717 573479728 /nfs/dbraw/zinc/47/97/28/573479728.db2.gz BLUWGJAMEHIZOJ-UHFFFAOYSA-N 0 0 192.237 2.217 10 30 AEEERN C[C@@](F)(C=O)c1ccc2c(c1)OCC2 257818311 573479735 /nfs/dbraw/zinc/47/97/35/573479735.db2.gz FCFPAYDGXRBDNV-LLVKDONJSA-N 0 0 194.205 2.005 10 30 AEEERN C=CC[C@H](C)CCC=O 238414075 573479748 /nfs/dbraw/zinc/47/97/48/573479748.db2.gz OEISBXNHNKJQHY-QMMMGPOBSA-N 0 0 126.199 2.178 10 30 AEEERN Cc1cccc2nc(CC#N)oc12 107291874 573479768 /nfs/dbraw/zinc/47/97/68/573479768.db2.gz OZOSBAAASQIYHX-UHFFFAOYSA-N 0 0 172.187 2.202 10 30 AEEERN CCCC(=O)[C@@H]1O[C@@]1(C)CCC 238242317 573479781 /nfs/dbraw/zinc/47/97/81/573479781.db2.gz GCFVTBDFRHYOHZ-UWVGGRQHSA-N 0 0 170.252 2.313 10 30 AEEERN CC(C)N[C@]1(C#N)CCC[C@H]1C 83393004 573479809 /nfs/dbraw/zinc/47/98/09/573479809.db2.gz CBXRWISSSOPNLF-ZJUUUORDSA-N 0 0 166.268 2.067 10 30 AEEERN CCc1nc(C#N)nc2sccc12 259467426 573479926 /nfs/dbraw/zinc/47/99/26/573479926.db2.gz YLSFFJIBDGUQJT-UHFFFAOYSA-N 0 0 189.243 2.125 10 30 AEEERN C=C[C@@H](C)CC(=C)[C@@H](C)O 238415377 573485393 /nfs/dbraw/zinc/48/53/93/573485393.db2.gz FAWIGZXVFJMKFC-VXNVDRBHSA-N 0 0 140.226 2.136 10 30 AEEERN CSC1=C[C@H]2CC[C@H](C2)C1=O 238415646 573485400 /nfs/dbraw/zinc/48/54/00/573485400.db2.gz APPNEJHSNHYGRK-NKWVEPMBSA-N 0 0 168.261 2.232 10 30 AEEERN Cc1ccc2[nH]cc(CC=O)c2c1 107292303 573485414 /nfs/dbraw/zinc/48/54/14/573485414.db2.gz IPEVJPXHGMAEHD-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN CC(=O)CC=C(C)C(F)(F)F 145405310 573485423 /nfs/dbraw/zinc/48/54/23/573485423.db2.gz SITQSGUYJQNCER-XUELKZDXSA-N 0 0 166.142 2.330 10 30 AEEERN C=C(Cc1ccccc1)[C@@H](C)O 238415436 573485440 /nfs/dbraw/zinc/48/54/40/573485440.db2.gz UGFMBMXCSAARHQ-SNVBAGLBSA-N 0 0 162.232 2.166 10 30 AEEERN CCN(CC)[C@]1(C#N)CCC[C@@H]1C 83395966 573485502 /nfs/dbraw/zinc/48/55/02/573485502.db2.gz MPPOJDFZSADSHC-QWRGUYRKSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1cccnc1C[C@@H](C)C#N 238415635 573485566 /nfs/dbraw/zinc/48/55/66/573485566.db2.gz JMSPVHRGOBUNQM-MRVPVSSYSA-N 0 0 160.220 2.092 10 30 AEEERN CCCCCOC(=O)[C@@H](C)S 142832921 573485571 /nfs/dbraw/zinc/48/55/71/573485571.db2.gz LNWRGRGEXRNOKL-SSDOTTSWSA-N 0 0 176.281 2.038 10 30 AEEERN C/C(=C\C#Cc1ccccc1)[C@@H](C)O 238414623 573485605 /nfs/dbraw/zinc/48/56/05/573485605.db2.gz BUUVDDMILIZPKV-YTRUQHMWSA-N 0 0 186.254 2.365 10 30 AEEERN C=C(C1SCCCS1)[C@@H](C)O 238415140 573485613 /nfs/dbraw/zinc/48/56/13/573485613.db2.gz NPTWFIBDGNIJHW-SSDOTTSWSA-N 0 0 190.333 2.120 10 30 AEEERN CCN(CC)[C@@]1(C#N)CCC[C@@H]1C 83395968 573485625 /nfs/dbraw/zinc/48/56/25/573485625.db2.gz MPPOJDFZSADSHC-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@@H](O)c1c[nH]c2cccc(C#N)c12 235236648 573486038 /nfs/dbraw/zinc/48/60/38/573486038.db2.gz ZNBQYCCGNUOJDC-SSDOTTSWSA-N 0 0 186.214 2.093 10 30 AEEERN C/C(=C/[C@@H](C)O)c1cccc(C#N)c1 235230489 573486044 /nfs/dbraw/zinc/48/60/44/573486044.db2.gz UKTXUWZEZJUYSL-ABRRARGCSA-N 0 0 187.242 2.342 10 30 AEEERN N#Cc1cc(-c2cc3cc[nH]c3o2)no1 259470264 573486174 /nfs/dbraw/zinc/48/61/74/573486174.db2.gz MSIWIWVCKXUDJU-UHFFFAOYSA-N 0 0 199.169 2.288 10 30 AEEERN CCN(CC)[C@@]1(C#N)CCC[C@H]1C 83395972 573486229 /nfs/dbraw/zinc/48/62/29/573486229.db2.gz MPPOJDFZSADSHC-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN C[C@H]1CCC[C@]1(C#N)N1CCCC1 83395982 573486251 /nfs/dbraw/zinc/48/62/51/573486251.db2.gz RRSTWNACPTXSMU-WDEREUQCSA-N 0 0 178.279 2.165 10 30 AEEERN CC(C)c1ccccc1NCC=O 258674484 573486263 /nfs/dbraw/zinc/48/62/63/573486263.db2.gz OTKWUCFAPNHJEP-UHFFFAOYSA-N 0 0 177.247 2.421 10 30 AEEERN C#C[C@H](C)C(=O)c1ccccc1 238406593 573486329 /nfs/dbraw/zinc/48/63/29/573486329.db2.gz SRHMIKKQWOZTFT-VIFPVBQESA-N 0 0 158.200 2.139 10 30 AEEERN CCCN[C@]1(C#N)CCC[C@H]1C 83402397 573486356 /nfs/dbraw/zinc/48/63/56/573486356.db2.gz DBCMTAOHIZRKAT-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@H](C=O)Cc1ccc(Cl)cc1N 238406323 573486374 /nfs/dbraw/zinc/48/63/74/573486374.db2.gz ZBFAFSZAMDEGFH-ZETCQYMHSA-N 0 0 197.665 2.300 10 30 AEEERN C[C@@H]1CC(=O)[C@](C)(CCC#N)C1 238416824 573486522 /nfs/dbraw/zinc/48/65/22/573486522.db2.gz NWQFTLWISTUIGO-PSASIEDQSA-N 0 0 165.236 2.295 10 30 AEEERN N#C[C@]1(CCCC(F)F)CCCN1 688740021 573486573 /nfs/dbraw/zinc/48/65/73/573486573.db2.gz POUWNHXKVMNYBD-VIFPVBQESA-N 0 0 188.221 2.068 10 30 AEEERN C[C@@H]1CCC[C@@]2(C1)O[C@@H]2C 238416974 573486606 /nfs/dbraw/zinc/48/66/06/573486606.db2.gz IDYATXSKXLOSQQ-HLTSFMKQSA-N 0 0 140.226 2.354 10 30 AEEERN CCCCCC#C[C@@H](O)C(F)(F)F 238245292 573486643 /nfs/dbraw/zinc/48/66/43/573486643.db2.gz HHIATBFZHZGXBO-MRVPVSSYSA-N 0 0 194.196 2.493 10 30 AEEERN Cc1[nH]c(-c2ccc[nH]2)cc1C#N 259107238 573490741 /nfs/dbraw/zinc/49/07/41/573490741.db2.gz HVDHFKOMEBYBIH-UHFFFAOYSA-N 0 0 171.203 2.190 10 30 AEEERN C[C@@H](NCCF)c1ccccc1C#N 308601857 573490806 /nfs/dbraw/zinc/49/08/06/573490806.db2.gz AXHUOEAFYKNBCI-SECBINFHSA-N 0 0 192.237 2.178 10 30 AEEERN C=CC(=O)c1c(OC)cccc1OC 143308313 573490834 /nfs/dbraw/zinc/49/08/34/573490834.db2.gz NYGJNXASQQJQDK-UHFFFAOYSA-N 0 0 192.214 2.073 10 30 AEEERN C=C[C@@H](CCC)[C@]1(CO)CCCC1=O 308593645 573490948 /nfs/dbraw/zinc/49/09/48/573490948.db2.gz QNAJHEAKRNMZDB-CMPLNLGQSA-N 0 0 196.290 2.320 10 30 AEEERN C=CCCC[NH2+]C[C@@H](CC)CC(=O)[O-] 308593463 573490999 /nfs/dbraw/zinc/49/09/99/573490999.db2.gz XBHYDFMEDVCQGR-JTQLQIEISA-N 0 0 199.294 2.043 10 30 AEEERN CCCc1cc[nH]c1CC#N 259472363 573491117 /nfs/dbraw/zinc/49/11/17/573491117.db2.gz BTIKVNHMTILYOF-UHFFFAOYSA-N 0 0 148.209 2.033 10 30 AEEERN COc1cccc(C#N)c1CF 258039610 573491211 /nfs/dbraw/zinc/49/12/11/573491211.db2.gz PXQFMMFFGJIWGT-UHFFFAOYSA-N 0 0 165.167 2.036 10 30 AEEERN C[C@@H]1CC(=O)C2=C1C(=O)CCCC2 238406849 573491265 /nfs/dbraw/zinc/49/12/65/573491265.db2.gz YTCUOKMRVAFDSH-SSDOTTSWSA-N 0 0 178.231 2.035 10 30 AEEERN C[C@H](NCCF)c1ccccc1C#N 308601861 573491277 /nfs/dbraw/zinc/49/12/77/573491277.db2.gz AXHUOEAFYKNBCI-VIFPVBQESA-N 0 0 192.237 2.178 10 30 AEEERN C#C[C@@H](O)c1ccccc1CCC=C 238670757 573491399 /nfs/dbraw/zinc/49/13/99/573491399.db2.gz TYNRHKRUILBULY-CYBMUJFWSA-N 0 0 186.254 2.472 10 30 AEEERN C[C@@H]1CC(=O)C2=C(C1)O[C@@H](C)C2 238406808 573491417 /nfs/dbraw/zinc/49/14/17/573491417.db2.gz QPGZQTNULCZLDW-RQJHMYQMSA-N 0 0 166.220 2.048 10 30 AEEERN C[C@@H]1CC(=O)C2=C1CCCS2 238406930 573491433 /nfs/dbraw/zinc/49/14/33/573491433.db2.gz ZXMUJXMGJSVTLW-ZCFIWIBFSA-N 0 0 168.261 2.376 10 30 AEEERN C[C@@H](C#N)Nc1ccc2ncoc2c1 258695560 573493971 /nfs/dbraw/zinc/49/39/71/573493971.db2.gz DJAPGNCGWRWNEQ-ZETCQYMHSA-N 0 0 187.202 2.152 10 30 AEEERN CCc1ccc(O)c(CCC=O)c1 258041820 573494092 /nfs/dbraw/zinc/49/40/92/573494092.db2.gz QDXIXYAUUMAFAZ-UHFFFAOYSA-N 0 0 178.231 2.086 10 30 AEEERN Cc1ccc(NCC=O)cc1Cl 258684756 573494238 /nfs/dbraw/zinc/49/42/38/573494238.db2.gz PTANOZWBJVUGTF-UHFFFAOYSA-N 0 0 183.638 2.259 10 30 AEEERN CO[C@](C)(CC=O)CC1CCC1 258501152 573499767 /nfs/dbraw/zinc/49/97/67/573499767.db2.gz KXIMVRDBEZYJCL-SNVBAGLBSA-N 0 0 170.252 2.171 10 30 AEEERN C=CCC(CC=C)[C@H](C)O 238418474 573499809 /nfs/dbraw/zinc/49/98/09/573499809.db2.gz DSDMNMXORIKYHJ-QMMMGPOBSA-N 0 0 140.226 2.136 10 30 AEEERN CCc1[nH]sc2nc(C#N)cc1-2 259478419 573499822 /nfs/dbraw/zinc/49/98/22/573499822.db2.gz ZVIJMDFIESNWET-UHFFFAOYSA-N 0 0 177.232 2.058 10 30 AEEERN CCc1cc(CCC=O)cc(OC)c1 258047707 573499836 /nfs/dbraw/zinc/49/98/36/573499836.db2.gz KIIKWCMLMZDUCA-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN CC[C@H]1CCC1=NN[C@@H](C)C(F)F 308399303 573499850 /nfs/dbraw/zinc/49/98/50/573499850.db2.gz GGKIDYUXMZLZTB-BQBZGAKWSA-N 0 0 190.237 2.406 10 30 AEEERN C[C@@H]1CCC[C@]2(CC1)CO2 83434821 573499862 /nfs/dbraw/zinc/49/98/62/573499862.db2.gz ZIQIUMBAPICIHY-BDAKNGLRSA-N 0 0 140.226 2.356 10 30 AEEERN CC[C@@H]1CCC1=NN[C@@H](C)C(F)F 308399304 573499879 /nfs/dbraw/zinc/49/98/79/573499879.db2.gz GGKIDYUXMZLZTB-NKWVEPMBSA-N 0 0 190.237 2.406 10 30 AEEERN CC[C@@H](C)NN=C[C@@H](C)CCC#N 308398952 573499982 /nfs/dbraw/zinc/49/99/82/573499982.db2.gz GFWQWSRIUSIJTN-VHSXEESVSA-N 0 0 181.283 2.300 10 30 AEEERN CN[C@@]1(C#N)CCC[C@@H](C)CC1 83428306 573500044 /nfs/dbraw/zinc/50/00/44/573500044.db2.gz QCMFQZILQTWIDR-ZJUUUORDSA-N 0 0 166.268 2.068 10 30 AEEERN N#CCc1cnc(C2CCCC2)nc1 259613265 573500088 /nfs/dbraw/zinc/50/00/88/573500088.db2.gz GFLXFGOXXXMQAU-UHFFFAOYSA-N 0 0 187.246 2.200 10 30 AEEERN CC[C@H]1CCC1=NN[C@H](C)C(F)F 308399306 573500143 /nfs/dbraw/zinc/50/01/43/573500143.db2.gz GGKIDYUXMZLZTB-RQJHMYQMSA-N 0 0 190.237 2.406 10 30 AEEERN COc1ccc([C@H]2O[C@H]2C)cc1F 258699402 573500148 /nfs/dbraw/zinc/50/01/48/573500148.db2.gz HEXJNEWVMLMNJT-WKEGUHRASA-N 0 0 182.194 2.294 10 30 AEEERN Cc1cccc(-c2c(C)noc2C#N)n1 259475636 573500409 /nfs/dbraw/zinc/50/04/09/573500409.db2.gz NHYIYJFTFWMFDW-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C[C@H]([NH3+])c1cc(Cl)ccc1C#N 238418344 573501327 /nfs/dbraw/zinc/50/13/27/573501327.db2.gz PCHXXMKXVUKVTA-LURJTMIESA-N 0 0 180.638 2.231 10 30 AEEERN COc1cc(C)c(C)cc1NCC#N 258702088 573500613 /nfs/dbraw/zinc/50/06/13/573500613.db2.gz DURKGWIUBBXOGR-UHFFFAOYSA-N 0 0 190.246 2.248 10 30 AEEERN CCN[C@]1(C#N)CCC[C@@H](C)CC1 83428310 573500660 /nfs/dbraw/zinc/50/06/60/573500660.db2.gz NXTUTYWRPGYNDW-GHMZBOCLSA-N 0 0 180.295 2.458 10 30 AEEERN C=C1C(=O)C(C)(C)C[C@H]1C 238418539 573500672 /nfs/dbraw/zinc/50/06/72/573500672.db2.gz GMLIKLYOBCGJGP-ZCFIWIBFSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)[C@@H](C)C(=O)NC(C)(C)C 238418409 573500746 /nfs/dbraw/zinc/50/07/46/573500746.db2.gz QYACHWIZFFDUQW-MRVPVSSYSA-N 0 0 169.268 2.113 10 30 AEEERN C#CCN[C@]1(C#N)CCC[C@@H](C)CC1 83428388 573500770 /nfs/dbraw/zinc/50/07/70/573500770.db2.gz HOIXXXDFKIZZGE-VXGBXAGGSA-N 0 0 190.290 2.072 10 30 AEEERN CSc1ccc(C)c(O)c1CC#N 258047779 573500806 /nfs/dbraw/zinc/50/08/06/573500806.db2.gz KJEIEGJTAKDGCB-UHFFFAOYSA-N 0 0 193.271 2.489 10 30 AEEERN CN[C@]1(C#N)CCC[C@@H](C)CC1 83428304 573500823 /nfs/dbraw/zinc/50/08/23/573500823.db2.gz QCMFQZILQTWIDR-NXEZZACHSA-N 0 0 166.268 2.068 10 30 AEEERN CC[C@@H]1CCC1=NN[C@H](C)C(F)F 308399305 573500852 /nfs/dbraw/zinc/50/08/52/573500852.db2.gz GGKIDYUXMZLZTB-RNFRBKRXSA-N 0 0 190.237 2.406 10 30 AEEERN N#Cc1cccnc1SCCCF 308398504 573500894 /nfs/dbraw/zinc/50/08/94/573500894.db2.gz GSYOROGYLNSZGN-UHFFFAOYSA-N 0 0 196.250 2.405 10 30 AEEERN C[C@@H]1CCC[C@H](CCC#N)[C@@H]1O 238418301 573500933 /nfs/dbraw/zinc/50/09/33/573500933.db2.gz GLSLNGWUWDZFMN-OPRDCNLKSA-N 0 0 167.252 2.087 10 30 AEEERN CN[C@]1(C#N)CCC[C@H](C)CC1 83428305 573500941 /nfs/dbraw/zinc/50/09/41/573500941.db2.gz QCMFQZILQTWIDR-VHSXEESVSA-N 0 0 166.268 2.068 10 30 AEEERN CC1(C)O[C@H]1c1ccc2c(c1)CCO2 259475898 573500958 /nfs/dbraw/zinc/50/09/58/573500958.db2.gz XVGKPFKNGWAEJQ-NSHDSACASA-N 0 0 190.242 2.471 10 30 AEEERN COc1ccc(O)cc1[C@H](C)CC=O 258047811 573500978 /nfs/dbraw/zinc/50/09/78/573500978.db2.gz KJYYMWDUCXXLDI-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN CC(=O)[C@@]1(C)[C@@H](C=O)CCC[C@H]1C 238417971 573501042 /nfs/dbraw/zinc/50/10/42/573501042.db2.gz HFWAEHZTIKDCHO-IEBDPFPHSA-N 0 0 182.263 2.217 10 30 AEEERN C#CCN[C@@]1(C#N)CCC[C@H](C)CC1 83428391 573501101 /nfs/dbraw/zinc/50/11/01/573501101.db2.gz HOIXXXDFKIZZGE-RYUDHWBXSA-N 0 0 190.290 2.072 10 30 AEEERN C[C@@H]1O[C@@H]1CC(=O)c1ccccc1 238418639 573501120 /nfs/dbraw/zinc/50/11/20/573501120.db2.gz SABVJEYHPMORBY-GZMMTYOYSA-N 0 0 176.215 2.047 10 30 AEEERN CN[C@@]1(C#N)CCC[C@H](C)CC1 83428307 573501155 /nfs/dbraw/zinc/50/11/55/573501155.db2.gz QCMFQZILQTWIDR-UWVGGRQHSA-N 0 0 166.268 2.068 10 30 AEEERN Cc1cc(C(C)C)nc(CCS)n1 259108851 573501160 /nfs/dbraw/zinc/50/11/60/573501160.db2.gz OOODYDLFXMHBIE-UHFFFAOYSA-N 0 0 196.319 2.381 10 30 AEEERN C[C@H]1CCC[C@@]2(CC1)CO2 83434820 573501208 /nfs/dbraw/zinc/50/12/08/573501208.db2.gz ZIQIUMBAPICIHY-DTWKUNHWSA-N 0 0 140.226 2.356 10 30 AEEERN C[C@H]1CCC[C@]2(CC1)CO2 83434822 573501268 /nfs/dbraw/zinc/50/12/68/573501268.db2.gz ZIQIUMBAPICIHY-IUCAKERBSA-N 0 0 140.226 2.356 10 30 AEEERN CC(C)c1ccc(NC(=O)C#N)cc1 258716040 573508685 /nfs/dbraw/zinc/50/86/85/573508685.db2.gz LHTXDDSPFPMTJB-UHFFFAOYSA-N 0 0 188.230 2.272 10 30 AEEERN N#Cc1ccc(-c2cncs2)nc1 259481673 573508747 /nfs/dbraw/zinc/50/87/47/573508747.db2.gz BZRBDXPKZXQNBZ-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN C=CCC(CC=C)[C@@H](C)O 238421361 573508790 /nfs/dbraw/zinc/50/87/90/573508790.db2.gz DSDMNMXORIKYHJ-MRVPVSSYSA-N 0 0 140.226 2.136 10 30 AEEERN C[C@@](N)(CC#N)c1ccccc1Cl 238421326 573508850 /nfs/dbraw/zinc/50/88/50/573508850.db2.gz IPCUZLRZBQPLKM-SNVBAGLBSA-N 0 0 194.665 2.428 10 30 AEEERN N#C[C@H]1CC(=O)c2sccc2C1 259482384 573508964 /nfs/dbraw/zinc/50/89/64/573508964.db2.gz ALLPPNKZCVSZSY-ZCFIWIBFSA-N 0 0 177.228 2.017 10 30 AEEERN C=CCC[C@]1(O)CC[C@H](CO)C1(C)C 308610128 573509199 /nfs/dbraw/zinc/50/91/99/573509199.db2.gz XYLDNUDKILBVIH-PWSUYJOCSA-N 0 0 198.306 2.112 10 30 AEEERN C=C1CCCCC=C1[C@@H](C)O 238424315 573519237 /nfs/dbraw/zinc/51/92/37/573519237.db2.gz ZRBRJGSSKMCPOP-SECBINFHSA-N 0 0 152.237 2.424 10 30 AEEERN COc1ccc(N(C)[C@@H](C)C#N)cc1 258733645 573519492 /nfs/dbraw/zinc/51/94/92/573519492.db2.gz HETKLZUVRWUQIG-VIFPVBQESA-N 0 0 190.246 2.043 10 30 AEEERN CN[C@@H](S)c1cc(C)ccc1OC 259485213 573519527 /nfs/dbraw/zinc/51/95/27/573519527.db2.gz QYBAFOMTMGPLRT-JTQLQIEISA-N 0 0 197.303 2.151 10 30 AEEERN C=CC[C@@H](C)[C@H](O)C1(OC)CCC1 714959634 573519641 /nfs/dbraw/zinc/51/96/41/573519641.db2.gz FLKWSZDHFXWNFO-ZJUUUORDSA-N 0 0 184.279 2.129 10 30 AEEERN CC1C(=O)C[C@@H](C)[C@H](C)C1=O 238424603 573519808 /nfs/dbraw/zinc/51/98/08/573519808.db2.gz PKCDQQBGNAMOAZ-RITPCOANSA-N 0 0 154.209 2.063 10 30 AEEERN CC[C@H](C)[N@@H+]1C[C@@H](C#N)CC1(C)C 259490385 573532011 /nfs/dbraw/zinc/53/20/11/573532011.db2.gz SBTCATXXBZQJRX-VHSXEESVSA-N 0 0 180.295 2.409 10 30 AEEERN CC(N=Nc1ccccc1)[C@H](C)CO 238429867 573532108 /nfs/dbraw/zinc/53/21/08/573532108.db2.gz VBIWFBOCWLFBTD-UUOLZROSSA-N 0 0 192.262 2.103 10 30 AEEERN C[C@H](C#N)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 717644622 573532183 /nfs/dbraw/zinc/53/21/83/573532183.db2.gz FGBGDVJWZRLZML-IMSYWVGJSA-N 0 0 177.247 2.151 10 30 AEEERN COc1cccc([C@@H]2CC[C@@H]2C=O)c1 257828471 573532217 /nfs/dbraw/zinc/53/22/17/573532217.db2.gz IIWUSZIHMGUPFW-PWSUYJOCSA-N 0 0 190.242 2.388 10 30 AEEERN C=C(C)/C=C/C[C@@H](C)C=O 238428997 573532231 /nfs/dbraw/zinc/53/22/31/573532231.db2.gz YTVLUTLSDSWQEE-XNPJLODASA-N 0 0 138.210 2.344 10 30 AEEERN C=C(C)c1nccn1C(C)C 259488833 573532271 /nfs/dbraw/zinc/53/22/71/573532271.db2.gz XUCYRHCISQAQGN-UHFFFAOYSA-N 0 0 150.225 2.497 10 30 AEEERN CN[C@]1(C#N)CC[C@H](SC(C)C)C1 86624359 573532273 /nfs/dbraw/zinc/53/22/73/573532273.db2.gz BNHDNXOJOZRHGO-VHSXEESVSA-N 0 0 198.335 2.162 10 30 AEEERN O=C1C=C[C@@H]2C=C[C@@]12Nc1ccccc1 238675933 573532303 /nfs/dbraw/zinc/53/23/03/573532303.db2.gz PTEHGBHCSKLNQP-MFKMUULPSA-N 0 0 197.237 2.162 10 30 AEEERN CCO[C@H](CC)C(=O)C=C(C)C 131758887 573532307 /nfs/dbraw/zinc/53/23/07/573532307.db2.gz QYXVCZVTRRBRGN-SNVBAGLBSA-N 0 0 170.252 2.337 10 30 AEEERN COc1cccc([C@H]2CC[C@H]2C=O)c1 257828469 573532513 /nfs/dbraw/zinc/53/25/13/573532513.db2.gz IIWUSZIHMGUPFW-CMPLNLGQSA-N 0 0 190.242 2.388 10 30 AEEERN N#Cc1cc(-c2ccncc2)ns1 259488401 573532515 /nfs/dbraw/zinc/53/25/15/573532515.db2.gz SETJETCASKKGLA-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN Cc1[nH]c(C#N)nc1-c1cccs1 258758725 573532530 /nfs/dbraw/zinc/53/25/30/573532530.db2.gz SBUVBRXLIYYBJK-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN C[C@H](O)[C@H](C#N)c1cccc(Cl)c1 222007593 573532542 /nfs/dbraw/zinc/53/25/42/573532542.db2.gz JOBPIUACOJKCDJ-XVKPBYJWSA-N 0 0 195.649 2.328 10 30 AEEERN C=C[C@H](C)c1noc(C2(C)CC2)n1 306503490 573532591 /nfs/dbraw/zinc/53/25/91/573532591.db2.gz HXTDBHKCWUYSTH-ZETCQYMHSA-N 0 0 178.235 2.411 10 30 AEEERN CC(C)(C)SC1(C#N)CC(=O)C1 83490003 573532651 /nfs/dbraw/zinc/53/26/51/573532651.db2.gz SSXORUSOOWODTK-UHFFFAOYSA-N 0 0 183.276 2.143 10 30 AEEERN N#CC1(SC2CCCC2)CC(=O)C1 83500332 573532704 /nfs/dbraw/zinc/53/27/04/573532704.db2.gz NCPGNGMLONFZMP-UHFFFAOYSA-N 0 0 195.287 2.287 10 30 AEEERN C[C@@H](F)[C@@H](C=O)c1cccc(F)c1 257829489 573536711 /nfs/dbraw/zinc/53/67/11/573536711.db2.gz IXZMQAPCYMOGPD-GMSGAONNSA-N 0 0 184.185 2.466 10 30 AEEERN CCCN[C@@H](C#N)c1csc(C)n1 126437417 573536720 /nfs/dbraw/zinc/53/67/20/573536720.db2.gz NCINBXWXYHAFPG-QMMMGPOBSA-N 0 0 195.291 2.016 10 30 AEEERN C=C(C)CC[C@H]1NC(=O)CC[C@H]1C 238434196 573537448 /nfs/dbraw/zinc/53/74/48/573537448.db2.gz WLBSTERJVYSNEC-NXEZZACHSA-N 0 0 181.279 2.257 10 30 AEEERN CCc1cccc(CCC=O)c1O 258054388 573536903 /nfs/dbraw/zinc/53/69/03/573536903.db2.gz RSRDZCZEYSOFLM-UHFFFAOYSA-N 0 0 178.231 2.086 10 30 AEEERN Cc1cc(CCC=O)cc2c1OCC2 258053715 573537010 /nfs/dbraw/zinc/53/70/10/573537010.db2.gz KVHOBEDGJOLQKC-UHFFFAOYSA-N 0 0 190.242 2.061 10 30 AEEERN C[C@H](CC=O)c1ccc(F)cc1O 258053718 573537184 /nfs/dbraw/zinc/53/71/84/573537184.db2.gz KVNZGZWKSJIPLV-SSDOTTSWSA-N 0 0 182.194 2.224 10 30 AEEERN C[C@H]1Cc2cccc(CC=O)c2S1 258054695 573537235 /nfs/dbraw/zinc/53/72/35/573537235.db2.gz LINZCLWPXAFFSW-QMMMGPOBSA-N 0 0 192.283 2.465 10 30 AEEERN C=C[C@]12CC[C@H](C)[C@@H]1CC2=O 238430942 573537302 /nfs/dbraw/zinc/53/73/02/573537302.db2.gz MLRZWPBHTXEWPB-NRPADANISA-N 0 0 150.221 2.178 10 30 AEEERN COc1c(CC=O)ccc(C)c1C 107337230 573537347 /nfs/dbraw/zinc/53/73/47/573537347.db2.gz UATNYSFVACFBHU-UHFFFAOYSA-N 0 0 178.231 2.053 10 30 AEEERN Cc1nsc(C#CC(C)(C)C)n1 585143699 573537397 /nfs/dbraw/zinc/53/73/97/573537397.db2.gz HEEIFZFHLHYCGR-UHFFFAOYSA-N 0 0 180.276 2.244 10 30 AEEERN C[C@@H]1CC=C[C@@H](CC=O)C1 238430479 573537420 /nfs/dbraw/zinc/53/74/20/573537420.db2.gz AGCXLBLPLLNIFE-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN Cc1nc2cc(OCC#N)ccc2o1 259494843 573537528 /nfs/dbraw/zinc/53/75/28/573537528.db2.gz QAGPTGRPHFIRED-UHFFFAOYSA-N 0 0 188.186 2.039 10 30 AEEERN C#C[C@H]([NH2+]CC)c1ccc2c(c1)CCC2 130312395 573537551 /nfs/dbraw/zinc/53/75/51/573537551.db2.gz JRJUTUDRVDSQON-AWEZNQCLSA-N 0 0 199.297 2.459 10 30 AEEERN C[C@]1(CCC#N)CCC(N)=CC1=O 238472000 573537594 /nfs/dbraw/zinc/53/75/94/573537594.db2.gz NYEONXWYPVSTFP-JTQLQIEISA-N 0 0 178.235 2.069 10 30 AEEERN CN[C@H](S)c1ccccc1C 259492354 573537655 /nfs/dbraw/zinc/53/76/55/573537655.db2.gz RKBOVFCOLYCSKD-SECBINFHSA-N 0 0 167.277 2.143 10 30 AEEERN C=CCOC(=O)[C@H]1CC=CC[C@@H]1C 220562105 573537914 /nfs/dbraw/zinc/53/79/14/573537914.db2.gz YQZRXRUWFIOLOD-UWVGGRQHSA-N 0 0 180.247 2.318 10 30 AEEERN C=C(C)C(=O)[C@@H](CCC)OCC 131839297 573538290 /nfs/dbraw/zinc/53/82/90/573538290.db2.gz NKBMEMVKLOJIEJ-SECBINFHSA-N 0 0 170.252 2.337 10 30 AEEERN N#CCCc1ccc2c(c1F)CCO2 259493843 573537990 /nfs/dbraw/zinc/53/79/90/573537990.db2.gz PERKJRGUCZNDMJ-UHFFFAOYSA-N 0 0 191.205 2.217 10 30 AEEERN C(=N/c1cncnc1)\Oc1ccccc1 308615799 573538009 /nfs/dbraw/zinc/53/80/09/573538009.db2.gz DWEFLAHBTSSNSV-NTEUORMPSA-N 0 0 199.213 2.215 10 30 AEEERN N#C[C@@H](/C=N/O)c1cccc2[nH]ccc12 308616613 573538039 /nfs/dbraw/zinc/53/80/39/573538039.db2.gz YTVAZVHQWCAJCA-QZNXTOQNSA-N 0 0 199.213 2.235 10 30 AEEERN C[C@H](F)[C@@H](C=O)c1cccc(F)c1 257829490 573538106 /nfs/dbraw/zinc/53/81/06/573538106.db2.gz IXZMQAPCYMOGPD-OIBJUYFYSA-N 0 0 184.185 2.466 10 30 AEEERN C[C@H]1c2ccccc2C(=O)[C@@H]1C#N 238431348 573538145 /nfs/dbraw/zinc/53/81/45/573538145.db2.gz JQHAFXALOXQPPU-OIBJUYFYSA-N 0 0 171.199 2.126 10 30 AEEERN CCCc1ccccc1CC=O 143969394 573538223 /nfs/dbraw/zinc/53/82/23/573538223.db2.gz ZPKZHEFQPISMHE-UHFFFAOYSA-N 0 0 162.232 2.381 10 30 AEEERN C=C[C@H](O)[C@@H]1C=CC[C@@H](C)C1 238430567 573538242 /nfs/dbraw/zinc/53/82/42/573538242.db2.gz AIHUHQWBWKDVER-BBBLOLIVSA-N 0 0 152.237 2.136 10 30 AEEERN C=CC[C@@]1(C=O)C[C@H](C)CCC1=O 238435851 573546217 /nfs/dbraw/zinc/54/62/17/573546217.db2.gz FULVGIFSTJFSSO-KOLCDFICSA-N 0 0 180.247 2.137 10 30 AEEERN COc1ccc([C@@H]2CC[C@H]2C=O)cc1 257824779 573546253 /nfs/dbraw/zinc/54/62/53/573546253.db2.gz GYOMBEOIBSFSOV-JQWIXIFHSA-N 0 0 190.242 2.388 10 30 AEEERN C=C(C)[C@@H]1CC[C@@H](C)C(=O)[C@@H]1CC=O 238435681 573546392 /nfs/dbraw/zinc/54/63/92/573546392.db2.gz SVCGEMOMQKBYLU-OUAUKWLOSA-N 0 0 194.274 2.383 10 30 AEEERN C[NH2+][C@H](C=O)c1ccc2ccccc2c1 259118167 573546440 /nfs/dbraw/zinc/54/64/40/573546440.db2.gz BBZTZAPZDHXCJK-CYBMUJFWSA-N 0 0 199.253 2.299 10 30 AEEERN C=C(C)C1=C(CO)[C@H](C)CC1 238436516 573546663 /nfs/dbraw/zinc/54/66/63/573546663.db2.gz RZVZRULMNCVNHA-MRVPVSSYSA-N 0 0 152.237 2.281 10 30 AEEERN CS[C@]1(C#N)CCC[C@H]1C 86658293 573546776 /nfs/dbraw/zinc/54/67/76/573546776.db2.gz IRHVJACWUMOLNQ-SFYZADRCSA-N 0 0 155.266 2.432 10 30 AEEERN C[C@H](O)C#CC/C=C\c1ccccc1 308629481 573549665 /nfs/dbraw/zinc/54/96/65/573549665.db2.gz RWMMFQIRIJGJQU-LRAPTIAOSA-N 0 0 186.254 2.474 10 30 AEEERN CCC[C@H](CC#N)CC(C)=O 238263084 573549669 /nfs/dbraw/zinc/54/96/69/573549669.db2.gz GDRXGFRXWRFHPW-SECBINFHSA-N 0 0 153.225 2.295 10 30 AEEERN C=C[C@H](O)CC/C=C(\C=C\CC)CO 308630564 573549779 /nfs/dbraw/zinc/54/97/79/573549779.db2.gz SWYZMBZOXHMQHV-ZEXYTLFISA-N 0 0 196.290 2.198 10 30 AEEERN C=C[C@@H](C)[C@H](O)c1ccccc1N 238437751 573549783 /nfs/dbraw/zinc/54/97/83/573549783.db2.gz XWPBKWXFBLDOKO-KCJUWKMLSA-N 0 0 177.247 2.124 10 30 AEEERN C[C@@H](O)C#CC/C=C\c1ccccc1 308629480 573549805 /nfs/dbraw/zinc/54/98/05/573549805.db2.gz RWMMFQIRIJGJQU-DJTUGOFGSA-N 0 0 186.254 2.474 10 30 AEEERN O=CC1=C(O)[C@@]23C=C[C@@]2(CC=CC3)C1 308630019 573549904 /nfs/dbraw/zinc/54/99/04/573549904.db2.gz SUSCRVVLGFNYAR-VDTGWRSZSA-N 0 0 188.226 2.294 10 30 AEEERN CCC[C@H](C#N)C(F)F 257825570 573549912 /nfs/dbraw/zinc/54/99/12/573549912.db2.gz GRPTURJLOHIJHE-RXMQYKEDSA-N 0 0 133.141 2.191 10 30 AEEERN N#Cc1cccc(OCc2ccc[nH]2)c1 259503732 573549923 /nfs/dbraw/zinc/54/99/23/573549923.db2.gz JPGJTDBAIGYYSR-UHFFFAOYSA-N 0 0 198.225 2.465 10 30 AEEERN CCC/C=C/[C@H](O)C#C/C=C\OCC 308628281 573549937 /nfs/dbraw/zinc/54/99/37/573549937.db2.gz PZJZXZSJFZDTQH-IASZUHDLSA-N 0 0 194.274 2.257 10 30 AEEERN Cc1ccc(/C=N\[C@H](C)CCO)cc1 308627798 573550062 /nfs/dbraw/zinc/55/00/62/573550062.db2.gz PDWISHSBSFNVON-NASPGAHYSA-N 0 0 191.274 2.185 10 30 AEEERN C#C/C(=C/CO)c1ccc(CC)cc1 308628336 573550076 /nfs/dbraw/zinc/55/00/76/573550076.db2.gz QEULPUULOYOFSS-XFXZXTDPSA-N 0 0 186.254 2.258 10 30 AEEERN CCC[C@@H](C#N)C(F)F 257825572 573550139 /nfs/dbraw/zinc/55/01/39/573550139.db2.gz GRPTURJLOHIJHE-YFKPBYRVSA-N 0 0 133.141 2.191 10 30 AEEERN CC(=O)C[C@]1(C=O)CCCC[C@@H]1C 238438962 573554701 /nfs/dbraw/zinc/55/47/01/573554701.db2.gz VLKSWRBFJFNALM-ONGXEEELSA-N 0 0 182.263 2.361 10 30 AEEERN CN[C@H](CC#N)c1cccc(C)c1 259504992 573554761 /nfs/dbraw/zinc/55/47/61/573554761.db2.gz SIODHUHGMWEJTK-LLVKDONJSA-N 0 0 174.247 2.169 10 30 AEEERN N#C[C@H](N)c1ccc(C(F)F)cc1 95705978 573554897 /nfs/dbraw/zinc/55/48/97/573554897.db2.gz FSJDXHGHIWRZDR-QMMMGPOBSA-N 0 0 182.173 2.148 10 30 AEEERN C=C[C@H](O)C1=CC[C@H](C)CC1 238438861 573554929 /nfs/dbraw/zinc/55/49/29/573554929.db2.gz MWIFZVKGIQNJRC-WPRPVWTQSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@H](CCC#N)C1CC1 107395592 573555036 /nfs/dbraw/zinc/55/50/36/573555036.db2.gz WEUHCNMMFFLFMX-SSDOTTSWSA-N 0 0 123.199 2.336 10 30 AEEERN Cc1cc(Cl)c2onc(C#N)c2n1 259504753 573555240 /nfs/dbraw/zinc/55/52/40/573555240.db2.gz VDQCWMQJWPUAKC-UHFFFAOYSA-N 0 0 193.593 2.056 10 30 AEEERN Cc1cccc2c([C@H](N)C#N)cn(C)c12 259506587 573555269 /nfs/dbraw/zinc/55/52/69/573555269.db2.gz BIRTUEOLCGLCRZ-LLVKDONJSA-N 0 0 199.257 2.010 10 30 AEEERN CC(C)C[C@H](C)n1ccnc1C#N 306509506 573555317 /nfs/dbraw/zinc/55/53/17/573555317.db2.gz JONOQGQIXLUIHA-VIFPVBQESA-N 0 0 177.251 2.362 10 30 AEEERN C=C(C)C(=O)/C(C)=C\C 145132834 573560147 /nfs/dbraw/zinc/56/01/47/573560147.db2.gz NNSFBVCZOHPQEF-ALCCZGGFSA-N 0 0 124.183 2.098 10 30 AEEERN CC(CC=O)(C1CC1)C1CC1 145149297 573560221 /nfs/dbraw/zinc/56/02/21/573560221.db2.gz SHHKBUYCHJXFQR-UHFFFAOYSA-N 0 0 152.237 2.402 10 30 AEEERN C/C(=N\CCCCO)c1ccccc1 308622147 573560275 /nfs/dbraw/zinc/56/02/75/573560275.db2.gz GTCCWQGJIZGGNZ-ACCUITESSA-N 0 0 191.274 2.268 10 30 AEEERN Cc1ccsc1N(C)[C@H](C)C#N 258774710 573560508 /nfs/dbraw/zinc/56/05/08/573560508.db2.gz KUXHIACQLQTVOV-MRVPVSSYSA-N 0 0 180.276 2.405 10 30 AEEERN C[C@H]([NH3+])c1cc2c(C#N)cccc2[nH]1 238440004 573560664 /nfs/dbraw/zinc/56/06/64/573560664.db2.gz DDBLVWNNBJTSCJ-ZETCQYMHSA-N 0 0 185.230 2.059 10 30 AEEERN CC(C)Nc1ccccc1OCC#N 86681115 573565398 /nfs/dbraw/zinc/56/53/98/573565398.db2.gz GEYHPCGCWAKQBW-UHFFFAOYSA-N 0 0 190.246 2.409 10 30 AEEERN CC(=O)[C@H]1CCC2=C([C@H](C=O)C2)[C@@H]1C 238432290 573565418 /nfs/dbraw/zinc/56/54/18/573565418.db2.gz ZODBDHBQPVQRHF-GGVZMXCHSA-N 0 0 192.258 2.137 10 30 AEEERN CC[C@H]1C[C@@H](CC#N)CCO1 107398376 573565446 /nfs/dbraw/zinc/56/54/46/573565446.db2.gz GGKHANOWTOCBJD-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN C[C@H](C#N)CN1CC2(CCCC2)C1 86681426 573565449 /nfs/dbraw/zinc/56/54/49/573565449.db2.gz WDUPARKRRMMFAA-SNVBAGLBSA-N 0 0 178.279 2.022 10 30 AEEERN N#C[C@H]1CCC[C@H]1n1cccc1 86681571 573565502 /nfs/dbraw/zinc/56/55/02/573565502.db2.gz MYTKQAUAPNKAQP-NXEZZACHSA-N 0 0 160.220 2.353 10 30 AEEERN Cc1c(C=O)oc2ccc(C#N)cc12 82392897 573565589 /nfs/dbraw/zinc/56/55/89/573565589.db2.gz PZAWRJJIJJEJCZ-UHFFFAOYSA-N 0 0 185.182 2.425 10 30 AEEERN C=C[C@@H](C)C/C=C/[C@H](C)O 238432947 573565656 /nfs/dbraw/zinc/56/56/56/573565656.db2.gz XNLHHMRRVAFUBC-FQDVODHFSA-N 0 0 140.226 2.136 10 30 AEEERN C[C@H](C#N)CN1CC2(CCCCC2)C1 86681406 573565659 /nfs/dbraw/zinc/56/56/59/573565659.db2.gz XZSVYBVHDVWZOF-LLVKDONJSA-N 0 0 192.306 2.412 10 30 AEEERN CC[C@@H](CC#N)n1cccc1 86681480 573565773 /nfs/dbraw/zinc/56/57/73/573565773.db2.gz YWAROBQCHXQIBT-VIFPVBQESA-N 0 0 148.209 2.353 10 30 AEEERN CC1(C)CN([C@H]2CCC[C@H]2C#N)C1 86681631 573565787 /nfs/dbraw/zinc/56/57/87/573565787.db2.gz JVTZJUGUHQMJCD-UWVGGRQHSA-N 0 0 178.279 2.020 10 30 AEEERN C[C@H]1C=C(Cl)C(=O)CC1 238432535 573565826 /nfs/dbraw/zinc/56/58/26/573565826.db2.gz PSTROEPEMYYNTJ-RXMQYKEDSA-N 0 0 144.601 2.108 10 30 AEEERN C[C@@H]1SCC[C@@H]1CCC=O 107400145 573565875 /nfs/dbraw/zinc/56/58/75/573565875.db2.gz FMZSDJFCOGOIBH-YUMQZZPRSA-N 0 0 158.266 2.107 10 30 AEEERN CCC[C@H](C#N)n1cccc1 86681137 573565909 /nfs/dbraw/zinc/56/59/09/573565909.db2.gz NRMFFHLBTHYQHC-SECBINFHSA-N 0 0 148.209 2.353 10 30 AEEERN CN[C@H](CC#N)c1ccccc1C 259512107 573565913 /nfs/dbraw/zinc/56/59/13/573565913.db2.gz SVEODWUKJPXIDJ-LLVKDONJSA-N 0 0 174.247 2.169 10 30 AEEERN N#CC1(n2cccc2)CCCC1 86681142 573565970 /nfs/dbraw/zinc/56/59/70/573565970.db2.gz CGJQIVOIHHPRCS-UHFFFAOYSA-N 0 0 160.220 2.281 10 30 AEEERN C[C@@H](CC#N)N1CC(C(C)(C)C)C1 86681174 573565329 /nfs/dbraw/zinc/56/53/29/573565329.db2.gz KTAVDIKOMDIRFW-VIFPVBQESA-N 0 0 180.295 2.266 10 30 AEEERN CC(=O)Nc1ccc(C#N)c(C)c1C 145233861 573568332 /nfs/dbraw/zinc/56/83/32/573568332.db2.gz UYIXXXRDYPNIPZ-UHFFFAOYSA-N 0 0 188.230 2.134 10 30 AEEERN Cc1ccc(C)n1[C@@H](C)C#N 86681126 573568345 /nfs/dbraw/zinc/56/83/45/573568345.db2.gz QFMPHNOJKFFTKY-VIFPVBQESA-N 0 0 148.209 2.190 10 30 AEEERN CC[C@@H]1CC(=O)C(=C(C)C)O1 145240802 573568346 /nfs/dbraw/zinc/56/83/46/573568346.db2.gz MGZCLWOMOMVPLI-SSDOTTSWSA-N 0 0 154.209 2.048 10 30 AEEERN C#CCCCC(C=O)=CCOC(C)=O 308625886 573568358 /nfs/dbraw/zinc/56/83/58/573568358.db2.gz LOAXDXJAUKIIOH-JCBKOVKPSA-N 0 0 194.230 2.309 10 30 AEEERN C=C(C(C)C)[C@H](O)[C@H](O)/C=C\CCC 308625590 573568377 /nfs/dbraw/zinc/56/83/77/573568377.db2.gz KUYWHCVSUOQBNV-WZIXFXTNSA-N 0 0 198.306 2.277 10 30 AEEERN CCC[C@@H]1O[C@@H]1[C@H](O)c1ccccc1 308625848 573568453 /nfs/dbraw/zinc/56/84/53/573568453.db2.gz LHJZLWKNQVWVMJ-TUAOUCFPSA-N 0 0 192.258 2.288 10 30 AEEERN O=C[C@H]1C[C@@H]1c1ccc(F)c(F)c1 75422274 573568464 /nfs/dbraw/zinc/56/84/64/573568464.db2.gz UYYPPOWZXOPPKC-HTQZYQBOSA-N 0 0 182.169 2.267 10 30 AEEERN Cc1ccc(C)n1[C@H](C)C#N 86681129 573568531 /nfs/dbraw/zinc/56/85/31/573568531.db2.gz QFMPHNOJKFFTKY-SECBINFHSA-N 0 0 148.209 2.190 10 30 AEEERN C#CCCOc1c(N)cccc1Cl 236353474 573568579 /nfs/dbraw/zinc/56/85/79/573568579.db2.gz OERPFRRZKJLEGN-UHFFFAOYSA-N 0 0 195.649 2.324 10 30 AEEERN N#C[C@H]1CCC[C@@H]1n1cccc1 86681574 573568602 /nfs/dbraw/zinc/56/86/02/573568602.db2.gz MYTKQAUAPNKAQP-ZJUUUORDSA-N 0 0 160.220 2.353 10 30 AEEERN CC[C@H](C)C=NN1CCCCC1=O 393537199 573568670 /nfs/dbraw/zinc/56/86/70/573568670.db2.gz IZNDUGPVBTXXEZ-VIFPVBQESA-N 0 0 182.267 2.031 10 30 AEEERN N#Cc1ccc(N2CC3(CC3)C2)cc1 86681099 573568783 /nfs/dbraw/zinc/56/87/83/573568783.db2.gz UHIAFRPQNNBECB-UHFFFAOYSA-N 0 0 184.242 2.158 10 30 AEEERN O=C[C@@H]1C[C@H]1c1ccc(F)c(F)c1 75422275 573568806 /nfs/dbraw/zinc/56/88/06/573568806.db2.gz UYYPPOWZXOPPKC-YUMQZZPRSA-N 0 0 182.169 2.267 10 30 AEEERN Cc1ccc(C)n1C[C@@H](C)C#N 86681418 573568823 /nfs/dbraw/zinc/56/88/23/573568823.db2.gz RRXCDFKLOJIZEZ-QMMMGPOBSA-N 0 0 162.236 2.265 10 30 AEEERN CC1(C)CN([C@@H]2CCC[C@H]2C#N)C1 86681629 573568840 /nfs/dbraw/zinc/56/88/40/573568840.db2.gz JVTZJUGUHQMJCD-VHSXEESVSA-N 0 0 178.279 2.020 10 30 AEEERN N#Cc1c(Cl)cccc1N1CCC1 307092254 573568893 /nfs/dbraw/zinc/56/88/93/573568893.db2.gz YUNAGLKAUYYNTR-UHFFFAOYSA-N 0 0 192.649 2.422 10 30 AEEERN C[C@H](C#N)CN1CC(C(C)(C)C)C1 86681380 573568929 /nfs/dbraw/zinc/56/89/29/573568929.db2.gz JRVFCOJRPBMNBQ-SECBINFHSA-N 0 0 180.295 2.124 10 30 AEEERN CC1CN(c2ccc(CC#N)cc2)C1 86681272 573568985 /nfs/dbraw/zinc/56/89/85/573568985.db2.gz FFJUZWRHXIWPGG-UHFFFAOYSA-N 0 0 186.258 2.209 10 30 AEEERN CC[C@H](CC#N)N1CC2(CCC2)C1 86681471 573569017 /nfs/dbraw/zinc/56/90/17/573569017.db2.gz LCONIQDDQBVKQQ-SNVBAGLBSA-N 0 0 178.279 2.165 10 30 AEEERN C[C@@H](C#N)CN1CC(C(C)(C)C)C1 86681381 573569873 /nfs/dbraw/zinc/56/98/73/573569873.db2.gz JRVFCOJRPBMNBQ-VIFPVBQESA-N 0 0 180.295 2.124 10 30 AEEERN C#CCCCC(C=O)=CCOC(C)=O 308625887 573569950 /nfs/dbraw/zinc/56/99/50/573569950.db2.gz LOAXDXJAUKIIOH-NSXXKTIASA-N 0 0 194.230 2.309 10 30 AEEERN N#C[C@@H]1CCC[C@H]1N1CC2(CCC2)C1 86681550 573569966 /nfs/dbraw/zinc/56/99/66/573569966.db2.gz OQEBTTFRHPEHSC-WDEREUQCSA-N 0 0 190.290 2.165 10 30 AEEERN N#C[C@H]1CCSc2ccc(O)cc21 259514249 573570064 /nfs/dbraw/zinc/57/00/64/573570064.db2.gz AFMOKKOOFBELOS-SSDOTTSWSA-N 0 0 191.255 2.495 10 30 AEEERN Cc1cccc([C@H]2C[C@H]2C=O)c1 75422217 573570166 /nfs/dbraw/zinc/57/01/66/573570166.db2.gz OTUIZVBLLABHKQ-WDEREUQCSA-N 0 0 160.216 2.297 10 30 AEEERN CCCCCC#C[C@H](O)[C@@H]1CS1 214445982 573570250 /nfs/dbraw/zinc/57/02/50/573570250.db2.gz MEOASFFBFLIUKB-UWVGGRQHSA-N 0 0 184.304 2.046 10 30 AEEERN C=C(C(C)C)[C@H](O)[C@H](O)/C=C/CCC 308625589 573570268 /nfs/dbraw/zinc/57/02/68/573570268.db2.gz KUYWHCVSUOQBNV-LASXONHFSA-N 0 0 198.306 2.277 10 30 AEEERN CCO/C(=C\C#CC[C@H](C)O)C(C)C 308625550 573570277 /nfs/dbraw/zinc/57/02/77/573570277.db2.gz KQFWHFWVTVYXDP-AWPPVZKDSA-N 0 0 196.290 2.337 10 30 AEEERN CCC[C@@H](C#N)n1cccc1 86681135 573570285 /nfs/dbraw/zinc/57/02/85/573570285.db2.gz NRMFFHLBTHYQHC-VIFPVBQESA-N 0 0 148.209 2.353 10 30 AEEERN N#CCCc1cc2ccccc2nn1 259514085 573570338 /nfs/dbraw/zinc/57/03/38/573570338.db2.gz PDKYMBPNCCFDBK-UHFFFAOYSA-N 0 0 183.214 2.086 10 30 AEEERN N#CC[C@H]1Sc2ccccc2[C@@H]1O 259516033 573570345 /nfs/dbraw/zinc/57/03/45/573570345.db2.gz ALNSZEOACZETHT-ZJUUUORDSA-N 0 0 191.255 2.108 10 30 AEEERN C=C1CCCC[C@H]1[C@@H](C)O 238433646 573570360 /nfs/dbraw/zinc/57/03/60/573570360.db2.gz RJOPXELEVHNEGN-RKDXNWHRSA-N 0 0 140.226 2.114 10 30 AEEERN CC[C@](C)(C#N)n1cccc1 86681154 573570381 /nfs/dbraw/zinc/57/03/81/573570381.db2.gz PKPIZCCHZAYFGA-SECBINFHSA-N 0 0 148.209 2.137 10 30 AEEERN CCC[C@H]1CC(=O)C(CCO)=C1C 238270826 573570412 /nfs/dbraw/zinc/57/04/12/573570412.db2.gz LZZCTLBAFIUXLY-VIFPVBQESA-N 0 0 182.263 2.074 10 30 AEEERN C=CC#C/C=C\[C@@H](O)c1ccccc1 308634641 573573834 /nfs/dbraw/zinc/57/38/34/573573834.db2.gz XSVZQZMGMLILSL-BIRHUZIMSA-N 0 0 184.238 2.466 10 30 AEEERN C[C@@H]1C[C@@H](C#N)O[C@H](C(F)(F)F)C1 259514302 573573855 /nfs/dbraw/zinc/57/38/55/573573855.db2.gz AGSMWUDHQYPXPJ-VQVTYTSYSA-N 0 0 193.168 2.256 10 30 AEEERN N#CC[C@@H]1Sc2ccccc2[C@@H]1O 259516029 573573863 /nfs/dbraw/zinc/57/38/63/573573863.db2.gz ALNSZEOACZETHT-UWVGGRQHSA-N 0 0 191.255 2.108 10 30 AEEERN CCc1nc2c([nH]1)[C@H](CC#N)CCC2 259615633 573576933 /nfs/dbraw/zinc/57/69/33/573576933.db2.gz GZVZHHMWQIQPSG-QMMMGPOBSA-N 0 0 189.262 2.306 10 30 AEEERN C=CC#C/C=C\[C@H](O)c1ccccc1 308634643 573573285 /nfs/dbraw/zinc/57/32/85/573573285.db2.gz XSVZQZMGMLILSL-ZWXCPPHNSA-N 0 0 184.238 2.466 10 30 AEEERN CC(C)(C#N)NCCC1CCC1 258782642 573573337 /nfs/dbraw/zinc/57/33/37/573573337.db2.gz LPGDKOHGHHJAEU-UHFFFAOYSA-N 0 0 166.268 2.068 10 30 AEEERN C[C@@H]1CCCC(=O)[C@H](C#N)CC1 238444229 573573373 /nfs/dbraw/zinc/57/33/73/573573373.db2.gz RGMPMGKMSXEOQX-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN C=C(C)[C@H]1CC[C@H](C)C(=O)[C@@H]1CC=O 238433615 573573492 /nfs/dbraw/zinc/57/34/92/573573492.db2.gz SVCGEMOMQKBYLU-HBNTYKKESA-N 0 0 194.274 2.383 10 30 AEEERN C[C@@H](C=O)[C@@H]1C[C@@H](C)C(C)(C)O1 238433264 573573509 /nfs/dbraw/zinc/57/35/09/573573509.db2.gz GRWYZSXUUONTSD-YIZRAAEISA-N 0 0 170.252 2.025 10 30 AEEERN COc1ccc(F)cc1[C@@H]1O[C@H]1C 258783334 573573514 /nfs/dbraw/zinc/57/35/14/573573514.db2.gz MDTAHBFJRKEXRY-QUBYGPBYSA-N 0 0 182.194 2.294 10 30 AEEERN O=CC1(c2ccc(F)cc2)CC(F)C1 257829748 573573761 /nfs/dbraw/zinc/57/37/61/573573761.db2.gz IVGHWCMFORNBST-UHFFFAOYSA-N 0 0 196.196 2.394 10 30 AEEERN C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@]12CC=CC2=O 238444788 573576947 /nfs/dbraw/zinc/57/69/47/573576947.db2.gz RLBQALDTNVUPSK-MIZYBKAJSA-N 0 0 174.243 2.344 10 30 AEEERN Cc1cc(CN[C@@H](C)C#N)sc1C 83633614 573577008 /nfs/dbraw/zinc/57/70/08/573577008.db2.gz YVFUVLAUDBOASL-QMMMGPOBSA-N 0 0 194.303 2.367 10 30 AEEERN Cc1c(C#N)cc(=O)[nH]c1C(C)(C)C 259517415 573577110 /nfs/dbraw/zinc/57/71/10/573577110.db2.gz AOFVTOFYKRMYRL-UHFFFAOYSA-N 0 0 190.246 2.265 10 30 AEEERN C[C@H]1C=CC[C@H](C(=O)C#N)C1(C)C 238445047 573577220 /nfs/dbraw/zinc/57/72/20/573577220.db2.gz QIMMYLRZQNHSBK-DTWKUNHWSA-N 0 0 177.247 2.317 10 30 AEEERN C=C(C)C(=O)/C=C\c1ccc(N)cc1 308401124 573577325 /nfs/dbraw/zinc/57/73/25/573577325.db2.gz QFCFSXRHGZYVBB-YVMONPNESA-N 0 0 187.242 2.427 10 30 AEEERN C[C@](C#N)(c1cccnc1)C1CC1 144398082 573577379 /nfs/dbraw/zinc/57/73/79/573577379.db2.gz VJWIEYIQGABBPE-LLVKDONJSA-N 0 0 172.231 2.273 10 30 AEEERN Cc1cc(CC#N)c(O)c(Cl)c1O 214914860 573577512 /nfs/dbraw/zinc/57/75/12/573577512.db2.gz WGYABZKKONFMML-UHFFFAOYSA-N 0 0 197.621 2.126 10 30 AEEERN C=CCCC1(C(=O)OCCF)CC1 308403786 573584242 /nfs/dbraw/zinc/58/42/42/573584242.db2.gz KHEUJVKOJPKIGY-UHFFFAOYSA-N 0 0 186.226 2.246 10 30 AEEERN CC[C@@H](C#N)OC(=O)CCC(C)C 308403079 573584252 /nfs/dbraw/zinc/58/42/52/573584252.db2.gz IAOMEWPFJKKPMR-VIFPVBQESA-N 0 0 183.251 2.268 10 30 AEEERN CC[C@@H](C)ON=C(C)[C@H]1CCCO1 308403838 573583654 /nfs/dbraw/zinc/58/36/54/573583654.db2.gz ILVVZKVOMBMFJK-PSASIEDQSA-N 0 0 185.267 2.356 10 30 AEEERN C[C@@H]1CCC=C(Cl)C1=O 238442044 573583668 /nfs/dbraw/zinc/58/36/68/573583668.db2.gz TWYVESDJSMCLEM-RXMQYKEDSA-N 0 0 144.601 2.108 10 30 AEEERN C=C1C=C[C@H](C)[C@H](C(C)=O)C1 238442545 573583717 /nfs/dbraw/zinc/58/37/17/573583717.db2.gz XTBWNFNUSWLPSY-WCBMZHEXSA-N 0 0 150.221 2.344 10 30 AEEERN N#Cc1cc(-c2ccccc2F)on1 259116456 573583747 /nfs/dbraw/zinc/58/37/47/573583747.db2.gz DBTHRTXAJZLAFU-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN C=C(C)CN(C)C[C@H](F)C(F)(F)F 308403457 573583749 /nfs/dbraw/zinc/58/37/49/573583749.db2.gz IHUKOBMQAGRONW-ZETCQYMHSA-N 0 0 199.191 2.395 10 30 AEEERN C[C@H](C=O)[C@@H]1CC=CC1(C)C 238442240 573583786 /nfs/dbraw/zinc/58/37/86/573583786.db2.gz LKSRDNLJMSQMNS-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN N#Cc1ccc([C@H]2CCO2)cc1 306425220 573583799 /nfs/dbraw/zinc/58/37/99/573583799.db2.gz NQGKJHLQKKHDQS-SNVBAGLBSA-N 0 0 159.188 2.020 10 30 AEEERN C[C@@H](C=O)c1ccc2c(c1)CCCO2 257833095 573583874 /nfs/dbraw/zinc/58/38/74/573583874.db2.gz KAUJHWXGGGBVMJ-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN CC(C)CON=C[C@@H]1C[C@@H]1C 379158712 573583908 /nfs/dbraw/zinc/58/39/08/573583908.db2.gz GFBLUAGFZRIZTA-IUCAKERBSA-N 0 0 155.241 2.301 10 30 AEEERN N#Cc1ccc2c3c([nH]c2c1)CCC3=O 259519094 573583961 /nfs/dbraw/zinc/58/39/61/573583961.db2.gz ASLLFGNUFMMRBG-UHFFFAOYSA-N 0 0 196.209 2.168 10 30 AEEERN CCc1ccc(OC)c([C@@H](N)S)c1 259516619 573584044 /nfs/dbraw/zinc/58/40/44/573584044.db2.gz RXDDODCGUSYREJ-JTQLQIEISA-N 0 0 197.303 2.145 10 30 AEEERN C[C@H]1C=C[C@H](CC=O)CC1 238442139 573585780 /nfs/dbraw/zinc/58/57/80/573585780.db2.gz KMAQKAXQIZJXSM-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C1C=C[C@H](C)[C@@H](C(C)=O)C1 238442526 573585905 /nfs/dbraw/zinc/58/59/05/573585905.db2.gz XTBWNFNUSWLPSY-WPRPVWTQSA-N 0 0 150.221 2.344 10 30 AEEERN C[C@@H]1CCC=C[C@@H]1CC=O 238442862 573585912 /nfs/dbraw/zinc/58/59/12/573585912.db2.gz BQBRYTNIZCYYAQ-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN C=CCSc1ccc([N+](=O)[O-])nc1 308402260 573585915 /nfs/dbraw/zinc/58/59/15/573585915.db2.gz JGEFTOVZMYLYME-UHFFFAOYSA-N 0 0 196.231 2.268 10 30 AEEERN C=C(C)CN(C)C[C@@H](F)C(F)(F)F 308403456 573585930 /nfs/dbraw/zinc/58/59/30/573585930.db2.gz IHUKOBMQAGRONW-SSDOTTSWSA-N 0 0 199.191 2.395 10 30 AEEERN C=C[C@@H](O)[C@H](C)OCc1ccccc1 144443183 573585942 /nfs/dbraw/zinc/58/59/42/573585942.db2.gz HLNDXQGUABEOGX-CMPLNLGQSA-N 0 0 192.258 2.139 10 30 AEEERN C=CC[C@](C)(O)c1ccccc1N 238442724 573585969 /nfs/dbraw/zinc/58/59/69/573585969.db2.gz YBUJJIGDHQLSBG-NSHDSACASA-N 0 0 177.247 2.052 10 30 AEEERN C=C(CO)c1ccccc1C 144431944 573586011 /nfs/dbraw/zinc/58/60/11/573586011.db2.gz NBYAVDCQHTWGJP-UHFFFAOYSA-N 0 0 148.205 2.001 10 30 AEEERN C=CCSc1cc(O)ccc1O 144447115 573586035 /nfs/dbraw/zinc/58/60/35/573586035.db2.gz LHMKGFZVFKLILS-UHFFFAOYSA-N 0 0 182.244 2.376 10 30 AEEERN N#Cc1ccc([C@@H]2CCO2)cc1 306425219 573586097 /nfs/dbraw/zinc/58/60/97/573586097.db2.gz NQGKJHLQKKHDQS-JTQLQIEISA-N 0 0 159.188 2.020 10 30 AEEERN Cc1ccc(CN[C@H](C)C#N)c(C)c1 258805706 573586122 /nfs/dbraw/zinc/58/61/22/573586122.db2.gz NSHILANBQWTVOD-LLVKDONJSA-N 0 0 188.274 2.305 10 30 AEEERN O=CCNc1coc2ccccc12 258806419 573586127 /nfs/dbraw/zinc/58/61/27/573586127.db2.gz DYSHCQQVCOHVHP-UHFFFAOYSA-N 0 0 175.187 2.044 10 30 AEEERN N#CCNc1c[nH]c2ccccc12 258805727 573586168 /nfs/dbraw/zinc/58/61/68/573586168.db2.gz NSQJBJSFEXNIIW-UHFFFAOYSA-N 0 0 171.203 2.103 10 30 AEEERN N#Cc1cnoc1-c1cc(Cl)co1 259615452 573586293 /nfs/dbraw/zinc/58/62/93/573586293.db2.gz GXYFWKIILDJLLR-UHFFFAOYSA-N 0 0 194.577 2.460 10 30 AEEERN Cc1nc(CS)[nH]c1CC(C)C 258800447 573586396 /nfs/dbraw/zinc/58/63/96/573586396.db2.gz WUCILKTVZRYYKG-UHFFFAOYSA-N 0 0 184.308 2.346 10 30 AEEERN C=C(CCO)Cc1ccc(OC)cc1 258065893 573586437 /nfs/dbraw/zinc/58/64/37/573586437.db2.gz DZIKTVQFTHYMIW-UHFFFAOYSA-N 0 0 192.258 2.176 10 30 AEEERN C[C@H](C=O)[C@@H](O)c1ccc(Cl)cc1 238442015 573587280 /nfs/dbraw/zinc/58/72/80/573587280.db2.gz QTTVGJCVRURJOY-GMSGAONNSA-N 0 0 198.649 2.208 10 30 AEEERN C=CC[C@@H]1CC[C@@H](C)C[C@@H]1O 238442063 573587369 /nfs/dbraw/zinc/58/73/69/573587369.db2.gz GLIJEFDZMLGRNB-BBBLOLIVSA-N 0 0 154.253 2.360 10 30 AEEERN N#Cc1sc2cc(N)ccc2c1C#N 307096683 573587541 /nfs/dbraw/zinc/58/75/41/573587541.db2.gz UXHAGFVQCZLFFT-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CC(C)[C@H](C#N)CNc1cc[nH]c1 259116801 573587557 /nfs/dbraw/zinc/58/75/57/573587557.db2.gz XZVWNOHZMWLWOK-SECBINFHSA-N 0 0 177.251 2.222 10 30 AEEERN CC1(C)C[C@]1(C#N)C1CC1 259516396 573587677 /nfs/dbraw/zinc/58/76/77/573587677.db2.gz CQLOIMVLQXKHGZ-VIFPVBQESA-N 0 0 135.210 2.336 10 30 AEEERN CC(=O)N(O)c1c(C)cccc1Cl 90759500 573588042 /nfs/dbraw/zinc/58/80/42/573588042.db2.gz NJLYHPLTOZNYTF-UHFFFAOYSA-N 0 0 199.637 2.391 10 30 AEEERN C[C@H](C=O)[C@H]1CC=CC1(C)C 238443807 573590975 /nfs/dbraw/zinc/59/09/75/573590975.db2.gz LKSRDNLJMSQMNS-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN C[C@H](C=O)[C@@](C)(C#N)c1ccccc1 238442944 573590376 /nfs/dbraw/zinc/59/03/76/573590376.db2.gz URVPFDGWCYCBPK-ZYHUDNBSSA-N 0 0 187.242 2.303 10 30 AEEERN C=CCNc1cccc(NC)c1 259134433 573590466 /nfs/dbraw/zinc/59/04/66/573590466.db2.gz DDZZLYMOJBRJHW-UHFFFAOYSA-N 0 0 162.236 2.326 10 30 AEEERN C[C@@]12CCC[C@]1(C)[C@@H](C#N)C(=O)C2 238442933 573590514 /nfs/dbraw/zinc/59/05/14/573590514.db2.gz SWBYTWJCTZQZDP-INTQDDNPSA-N 0 0 177.247 2.295 10 30 AEEERN N#Cc1cc(CC2CCCCC2)[nH]n1 259520561 573590515 /nfs/dbraw/zinc/59/05/15/573590515.db2.gz SISGMMQBVQNSIL-UHFFFAOYSA-N 0 0 189.262 2.404 10 30 AEEERN CC1=CC(=O)CCC[C@H]1C 238443505 573590523 /nfs/dbraw/zinc/59/05/23/573590523.db2.gz OYFLZVDXOPOHOR-SSDOTTSWSA-N 0 0 138.210 2.322 10 30 AEEERN C#CC[C@H](C[C@H](C)CC(C)(C)C)NN 126636341 573590672 /nfs/dbraw/zinc/59/06/72/573590672.db2.gz LHGYDCWAKHSBQS-WDEREUQCSA-N 0 0 196.338 2.304 10 30 AEEERN C=CC(=O)[C@H]1CCC=C[C@@H]1C 238443597 573590705 /nfs/dbraw/zinc/59/07/05/573590705.db2.gz OXQDKLVUGGCCNH-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C=CC[C@H](C)C[C@@H]1CC(=O)C=CN1 215282362 573590792 /nfs/dbraw/zinc/59/07/92/573590792.db2.gz DZJYEXZRWUPPRM-VHSXEESVSA-N 0 0 179.263 2.033 10 30 AEEERN C[C@H](C=O)[C@H]1C=CC1(C)C 238443715 573590814 /nfs/dbraw/zinc/59/08/14/573590814.db2.gz UHEXBNTZUNDMMF-HTQZYQBOSA-N 0 0 138.210 2.034 10 30 AEEERN C=CCSCC[C@@H](C#N)NCCC 393539200 573592142 /nfs/dbraw/zinc/59/21/42/573592142.db2.gz QCTWVYMGZZYVKI-JTQLQIEISA-N 0 0 198.335 2.187 10 30 AEEERN CCC1([C@H](C#N)C(C)C)COC1 258809349 573592316 /nfs/dbraw/zinc/59/23/16/573592316.db2.gz XRXOEMKCOFGMFC-SECBINFHSA-N 0 0 167.252 2.209 10 30 AEEERN N#C[C@@H]1CCc2cc(F)cc(F)c2O1 259521154 573592354 /nfs/dbraw/zinc/59/23/54/573592354.db2.gz KYWPQGQHGIBNMY-QMMMGPOBSA-N 0 0 195.168 2.182 10 30 AEEERN Cc1c(N)ccc2c1C[C@H](C#N)S2 259521895 573592371 /nfs/dbraw/zinc/59/23/71/573592371.db2.gz XLCUWZRIJOAXJC-SSDOTTSWSA-N 0 0 190.271 2.118 10 30 AEEERN C[C@H]1CC(=NNCC2CC2)[C@H]1C 393538743 573592435 /nfs/dbraw/zinc/59/24/35/573592435.db2.gz CCSPFSQDXHTIQZ-YUMQZZPRSA-N 0 0 166.268 2.018 10 30 AEEERN CN(C)/C=C1\CC(C)(C)CCC1=O 145717765 573592442 /nfs/dbraw/zinc/59/24/42/573592442.db2.gz HILXEKZYGTYIEG-CMDGGOBGSA-N 0 0 181.279 2.211 10 30 AEEERN C[C@H]1CC(=NNCC2CC2)[C@@H]1C 393538741 573592504 /nfs/dbraw/zinc/59/25/04/573592504.db2.gz CCSPFSQDXHTIQZ-JGVFFNPUSA-N 0 0 166.268 2.018 10 30 AEEERN N#C[C@H]1C2(CCC2)C12CC2 259518475 573592534 /nfs/dbraw/zinc/59/25/34/573592534.db2.gz CXHCAXQOXCOWQW-ZETCQYMHSA-N 0 0 133.194 2.090 10 30 AEEERN CC(=O)C1=CC(C)(C)C=CC1 144494570 573592539 /nfs/dbraw/zinc/59/25/39/573592539.db2.gz NBWKULIMHXCXAK-UHFFFAOYSA-N 0 0 150.221 2.488 10 30 AEEERN CC(C)(C)Cc1nc(N)c(C#N)s1 259521805 573592554 /nfs/dbraw/zinc/59/25/54/573592554.db2.gz XJFAGUPDXBJLKE-UHFFFAOYSA-N 0 0 195.291 2.186 10 30 AEEERN C#CC(=O)N(CCCC)[C@@H](C)CC 308405814 573592573 /nfs/dbraw/zinc/59/25/73/573592573.db2.gz JPOSMBMRZRBIQF-JTQLQIEISA-N 0 0 181.279 2.047 10 30 AEEERN C#CC[C@H](NN)C(CCC)CCC 126632416 573592582 /nfs/dbraw/zinc/59/25/82/573592582.db2.gz OQBCSMHWCABADD-NSHDSACASA-N 0 0 182.311 2.058 10 30 AEEERN N#C[C@@H]1CCS[C@@H]1c1cccnc1 259519064 573592623 /nfs/dbraw/zinc/59/26/23/573592623.db2.gz ASGIBOUIVPBAOW-WPRPVWTQSA-N 0 0 190.271 2.399 10 30 AEEERN N#C[C@@H]1C2(CCC2)C12CC2 259518471 573592629 /nfs/dbraw/zinc/59/26/29/573592629.db2.gz CXHCAXQOXCOWQW-SSDOTTSWSA-N 0 0 133.194 2.090 10 30 AEEERN CC(C)(C)CNc1ncc(C#N)s1 258813459 573592683 /nfs/dbraw/zinc/59/26/83/573592683.db2.gz VDRJYSDBWCYMEK-UHFFFAOYSA-N 0 0 195.291 2.473 10 30 AEEERN C=CC[C@H]1C[C@@H](CCC)NC(=O)O1 238275499 573592689 /nfs/dbraw/zinc/59/26/89/573592689.db2.gz SSLNQOOQRDNFTK-BDAKNGLRSA-N 0 0 183.251 2.230 10 30 AEEERN C#CC[C@H](CC1CCCCCC1)NN 126629193 573594122 /nfs/dbraw/zinc/59/41/22/573594122.db2.gz CMLRFDRGMBGECH-GFCCVEGCSA-N 0 0 194.322 2.202 10 30 AEEERN C#CC[C@H](C[C@@H](C)CC(C)(C)C)NN 126636582 573594224 /nfs/dbraw/zinc/59/42/24/573594224.db2.gz LHGYDCWAKHSBQS-GHMZBOCLSA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@@H]1C[C@@H]2C=CC(=O)[C@@H]2[C@@H]1C 238456344 573594255 /nfs/dbraw/zinc/59/42/55/573594255.db2.gz FAOWCGUFJLGQKL-SDNRWEOFSA-N 0 0 162.232 2.200 10 30 AEEERN CC/C=C(\C)CCC=O 75522324 573594284 /nfs/dbraw/zinc/59/42/84/573594284.db2.gz IOMQQIPXIIKKDO-VMPITWQZSA-N 0 0 126.199 2.322 10 30 AEEERN C[C@@H]1CC(=NNCC2CC2)[C@@H]1C 393538740 573594373 /nfs/dbraw/zinc/59/43/73/573594373.db2.gz CCSPFSQDXHTIQZ-HTQZYQBOSA-N 0 0 166.268 2.018 10 30 AEEERN CCCC1(C(C)(C)C#N)COC1 258809381 573594403 /nfs/dbraw/zinc/59/44/03/573594403.db2.gz XSLANNYZKTVVBA-UHFFFAOYSA-N 0 0 167.252 2.353 10 30 AEEERN CC(=O)/C(=C/c1ccccc1)[C@@H](C)O 308632282 573594406 /nfs/dbraw/zinc/59/44/06/573594406.db2.gz VTUJHGDQMXJNPC-YXYQAXARSA-N 0 0 190.242 2.040 10 30 AEEERN C=C/C(C)=C\CCC#N 75520217 573594467 /nfs/dbraw/zinc/59/44/67/573594467.db2.gz YKJVJJBOVCQYCW-VURMDHGXSA-N 0 0 121.183 2.422 10 30 AEEERN C[C@@H]1CC[C@](C)(C#N)C1 75520830 573594472 /nfs/dbraw/zinc/59/44/72/573594472.db2.gz NWXQRTZPLJMUAB-SFYZADRCSA-N 0 0 123.199 2.336 10 30 AEEERN C[C@@H]1C(=O)CCC(C)(C)[C@H]1C#N 238456018 573594505 /nfs/dbraw/zinc/59/45/05/573594505.db2.gz GMQUTXBXNRCEDH-YUMQZZPRSA-N 0 0 165.236 2.151 10 30 AEEERN C[C@@H]1c2ccccc2C(=O)[C@H]1C#N 238455980 573594664 /nfs/dbraw/zinc/59/46/64/573594664.db2.gz JQHAFXALOXQPPU-XCBNKYQSSA-N 0 0 171.199 2.126 10 30 AEEERN N#CCc1ccoc1-c1cncs1 259520790 573598110 /nfs/dbraw/zinc/59/81/10/573598110.db2.gz AWPIYUQHZCMFKA-UHFFFAOYSA-N 0 0 190.227 2.469 10 30 AEEERN C=C[C@H]([C@H](C)O)C(C)(C)C 238457336 573598116 /nfs/dbraw/zinc/59/81/16/573598116.db2.gz ABEFSRMUCYCEDC-JGVFFNPUSA-N 0 0 142.242 2.216 10 30 AEEERN C[C@@H]1CC[C@@H](C=O)C1(C)C 75527928 573598118 /nfs/dbraw/zinc/59/81/18/573598118.db2.gz HHZSLSRWAVPAFD-SFYZADRCSA-N 0 0 140.226 2.258 10 30 AEEERN Cc1cccc2c1C(=O)C=C2 238457024 573598222 /nfs/dbraw/zinc/59/82/22/573598222.db2.gz QFBCCODUNZCRRI-UHFFFAOYSA-N 0 0 144.173 2.205 10 30 AEEERN CC(C)(C)C(=O)C1(C#N)CCC1 259138176 573598228 /nfs/dbraw/zinc/59/82/28/573598228.db2.gz JZTWGUZUTYVELP-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN N#Cc1csc2ccc(CO)cc12 306166351 573598251 /nfs/dbraw/zinc/59/82/51/573598251.db2.gz BLGRVIFLERNXNZ-UHFFFAOYSA-N 0 0 189.239 2.265 10 30 AEEERN C[C@@H]1CC[C@H](O)[C@@H](CCC#N)C1 259524417 573598307 /nfs/dbraw/zinc/59/83/07/573598307.db2.gz DQILVNIFZNYVLS-UTLUCORTSA-N 0 0 167.252 2.087 10 30 AEEERN CC1=CC[C@@](C)(C=O)CC1 75526461 573598354 /nfs/dbraw/zinc/59/83/54/573598354.db2.gz OWTDSAWQXAVLFO-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN O=C(CCc1ccco1)C1=COCC1 308645437 573598407 /nfs/dbraw/zinc/59/84/07/573598407.db2.gz HBKBKOPEILBAOF-UHFFFAOYSA-N 0 0 192.214 2.086 10 30 AEEERN O=C(C1=CCCCC1)c1ccnnc1 236392918 573598413 /nfs/dbraw/zinc/59/84/13/573598413.db2.gz UNJKFGTWWCVAJS-UHFFFAOYSA-N 0 0 188.230 2.160 10 30 AEEERN Cc1ccc(-c2cc(C#N)on2)o1 259522572 573598418 /nfs/dbraw/zinc/59/84/18/573598418.db2.gz SKSUJHHTEYYMTG-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN O=CCC[C@@H]1CCc2cccnc21 86737993 573598457 /nfs/dbraw/zinc/59/84/57/573598457.db2.gz PNZDOJYZZWCLGH-SNVBAGLBSA-N 0 0 175.231 2.091 10 30 AEEERN C=C[C@H]([NH2+]C)c1cc(C)ccc1OC 130562958 573598506 /nfs/dbraw/zinc/59/85/06/573598506.db2.gz YQZVGJPGHMZSTP-NSHDSACASA-N 0 0 191.274 2.450 10 30 AEEERN N#C[C@@H]1C[C@H]1c1ccc2c(c1)CCO2 259137738 573598545 /nfs/dbraw/zinc/59/85/45/573598545.db2.gz MCAKASVTFOOFFI-QWRGUYRKSA-N 0 0 185.226 2.249 10 30 AEEERN CC[C@@H](C#N)[C@H](C#N)CC 75525336 573598646 /nfs/dbraw/zinc/59/86/46/573598646.db2.gz DBTYWPYUFNZUPD-YUMQZZPRSA-N 0 0 136.198 2.086 10 30 AEEERN C[C@H](C=O)[C@@H]1C=CCCC1 75526353 573598699 /nfs/dbraw/zinc/59/86/99/573598699.db2.gz QJXROLGREPJHIQ-RKDXNWHRSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)C[C@H](CC#N)c1nccn1C 259522417 573598704 /nfs/dbraw/zinc/59/87/04/573598704.db2.gz AYWKCWBWNXZKEK-JTQLQIEISA-N 0 0 191.278 2.463 10 30 AEEERN O=C(CC1CCOCC1)C1=CCCC1 236390151 573598748 /nfs/dbraw/zinc/59/87/48/573598748.db2.gz TWWYVLYRVVNVDA-UHFFFAOYSA-N 0 0 194.274 2.483 10 30 AEEERN CCc1occc1[C@H](C)C=O 75539514 573602030 /nfs/dbraw/zinc/60/20/30/573602030.db2.gz RDACDUZLDPESQG-SSDOTTSWSA-N 0 0 152.193 2.144 10 30 AEEERN COc1cccc2c1CC[C@H]2CC=O 257836606 573602053 /nfs/dbraw/zinc/60/20/53/573602053.db2.gz KWMLZNRCWUHUQT-VIFPVBQESA-N 0 0 190.242 2.314 10 30 AEEERN COC(C)(C)C[C@H]1CC[C@@H](CC#N)O1 308647857 573602070 /nfs/dbraw/zinc/60/20/70/573602070.db2.gz IIETWUKPQSTSJA-VHSXEESVSA-N 0 0 197.278 2.263 10 30 AEEERN COC[C@H](C)[C@@H]1CC[C@@](C)(CC#N)O1 308647848 573602176 /nfs/dbraw/zinc/60/21/76/573602176.db2.gz IHHMADUTQLSKGK-DCAQKATOSA-N 0 0 197.278 2.120 10 30 AEEERN O=C1C=C([C@H]2CCc3cccnc32)CC1 86738102 573602184 /nfs/dbraw/zinc/60/21/84/573602184.db2.gz NXVDOXPWWSENEV-GFCCVEGCSA-N 0 0 199.253 2.401 10 30 AEEERN N#Cc1ncccc1OC/C=C/Cl 306670578 573602209 /nfs/dbraw/zinc/60/22/09/573602209.db2.gz XRUPYDRQXNCQIT-DUXPYHPUSA-N 0 0 194.621 2.085 10 30 AEEERN C=CC(=O)[C@@H]1CC=C[C@H](C)C1 238446416 573602230 /nfs/dbraw/zinc/60/22/30/573602230.db2.gz JJOFMZHZRFXHAZ-DTWKUNHWSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@](C)(O)CNc1ccc(F)cc1 238447207 573602329 /nfs/dbraw/zinc/60/23/29/573602329.db2.gz ZUCBYWQSRKVTBF-LLVKDONJSA-N 0 0 195.237 2.175 10 30 AEEERN C[C@H](C#N)CCC(C)(C)C=O 75540164 573602494 /nfs/dbraw/zinc/60/24/94/573602494.db2.gz SVXJSWNTLWFFPL-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN Cc1ccc([C@@H](C)[C@@H](C)O)c(C#N)c1 238445995 573602595 /nfs/dbraw/zinc/60/25/95/573602595.db2.gz ZCJRZJUQCHZPIR-VHSXEESVSA-N 0 0 189.258 2.351 10 30 AEEERN COC(C)(C)C[C@@H]1CC[C@@H](CC#N)O1 308647856 573602603 /nfs/dbraw/zinc/60/26/03/573602603.db2.gz IIETWUKPQSTSJA-UWVGGRQHSA-N 0 0 197.278 2.263 10 30 AEEERN CC[C@@H](C=O)c1ccsc1 75541775 573602616 /nfs/dbraw/zinc/60/26/16/573602616.db2.gz LCSDWVKCOQMEKN-ZETCQYMHSA-N 0 0 154.234 2.441 10 30 AEEERN COc1cccc2c1CC[C@@H]2CC=O 257836605 573602626 /nfs/dbraw/zinc/60/26/26/573602626.db2.gz KWMLZNRCWUHUQT-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN Cn1cccc1-c1ccncc1CC#N 259524789 573606831 /nfs/dbraw/zinc/60/68/31/573606831.db2.gz BFTQZFUKBVOMGD-UHFFFAOYSA-N 0 0 197.241 2.153 10 30 AEEERN Cc1ccc(OCC[C@H]2CO2)c(C)c1 308648555 573606905 /nfs/dbraw/zinc/60/69/05/573606905.db2.gz ISTBGDKBGXLILF-NSHDSACASA-N 0 0 192.258 2.471 10 30 AEEERN C[C@@H]1OCC[C@H]1C(=O)C1=CCCCC1 86756671 573606970 /nfs/dbraw/zinc/60/69/70/573606970.db2.gz DKXPGVDWDCCROF-GXSJLCMTSA-N 0 0 194.274 2.481 10 30 AEEERN CCS[C@@H](C=O)C(C)(C)C 75544757 573606986 /nfs/dbraw/zinc/60/69/86/573606986.db2.gz XOSYJBPWJVPXKX-ZETCQYMHSA-N 0 0 160.282 2.353 10 30 AEEERN CC[C@@](C)(C=O)SC(C)C 75544750 573607005 /nfs/dbraw/zinc/60/70/05/573607005.db2.gz WDNPGQDXTPSNRN-QMMMGPOBSA-N 0 0 160.282 2.496 10 30 AEEERN COC[C@H](C)[C@@H]1CC[C@](C)(CC#N)O1 308647849 573607039 /nfs/dbraw/zinc/60/70/39/573607039.db2.gz IHHMADUTQLSKGK-GARJFASQSA-N 0 0 197.278 2.120 10 30 AEEERN Cc1ccc(C(F)F)c(CC#N)n1 238447631 573607041 /nfs/dbraw/zinc/60/70/41/573607041.db2.gz IJEWTDSCQGQYNF-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C[C@H]1OCC[C@H]1C(=O)C1=CCCC1 86756677 573607061 /nfs/dbraw/zinc/60/70/61/573607061.db2.gz BCBVMIYNABDZKF-PSASIEDQSA-N 0 0 180.247 2.091 10 30 AEEERN CCc1occc1C(C)(C)C=O 75547359 573607065 /nfs/dbraw/zinc/60/70/65/573607065.db2.gz LRRIBEMMSKVAEE-UHFFFAOYSA-N 0 0 166.220 2.319 10 30 AEEERN COC[C@H](C)[C@H]1CC[C@](C)(CC#N)O1 308647850 573607150 /nfs/dbraw/zinc/60/71/50/573607150.db2.gz IHHMADUTQLSKGK-HBNTYKKESA-N 0 0 197.278 2.120 10 30 AEEERN CCSc1cnccc1C#N 75546266 573607167 /nfs/dbraw/zinc/60/71/67/573607167.db2.gz UUIYTQJVXHFBPG-UHFFFAOYSA-N 0 0 164.233 2.065 10 30 AEEERN CC(C)[C@H](C#N)c1cccnc1 75544673 573607181 /nfs/dbraw/zinc/60/71/81/573607181.db2.gz IJXAJYMELAQPMI-JTQLQIEISA-N 0 0 160.220 2.345 10 30 AEEERN C[C@@H]1CCC(=O)[C@@H](CCC#N)C1 75546814 573607224 /nfs/dbraw/zinc/60/72/24/573607224.db2.gz KPFMHFPNGDMPNN-BDAKNGLRSA-N 0 0 165.236 2.295 10 30 AEEERN CCSc1ccc(NCC=O)cc1 258823252 573607228 /nfs/dbraw/zinc/60/72/28/573607228.db2.gz GKCYVKKAAIDTRV-UHFFFAOYSA-N 0 0 195.287 2.409 10 30 AEEERN C[C@H]1OCC[C@@H]1C(=O)C1=CCCCC1 86756674 573607267 /nfs/dbraw/zinc/60/72/67/573607267.db2.gz DKXPGVDWDCCROF-KOLCDFICSA-N 0 0 194.274 2.481 10 30 AEEERN Cc1cc(O)cc(C)c1CC#N 75544933 573607359 /nfs/dbraw/zinc/60/73/59/573607359.db2.gz NAKVNHFZWXEUSG-UHFFFAOYSA-N 0 0 161.204 2.075 10 30 AEEERN C=C(C)[C@@H]1CC(=O)[C@H](C)C1 238447467 573607366 /nfs/dbraw/zinc/60/73/66/573607366.db2.gz FTOPGSOAFSXJRQ-SFYZADRCSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@H]1CC[C@H]2[C@@H](C)C=CC(=O)[C@H]12 238448321 573607424 /nfs/dbraw/zinc/60/74/24/573607424.db2.gz LUEBTKPVFXFXKN-FTYOSLGDSA-N 0 0 164.248 2.424 10 30 AEEERN CC[C@](C)(C=O)SC(C)C 75544752 573607468 /nfs/dbraw/zinc/60/74/68/573607468.db2.gz WDNPGQDXTPSNRN-MRVPVSSYSA-N 0 0 160.282 2.496 10 30 AEEERN C[C@@H]1CCC(=O)[C@H](CCC#N)C1 75546810 573609822 /nfs/dbraw/zinc/60/98/22/573609822.db2.gz KPFMHFPNGDMPNN-RKDXNWHRSA-N 0 0 165.236 2.295 10 30 AEEERN CC1(C)[C@@H](C#N)CC[C@@]1(C)C=O 75546900 573609828 /nfs/dbraw/zinc/60/98/28/573609828.db2.gz GNGDLNMVJARTRQ-SCZZXKLOSA-N 0 0 165.236 2.151 10 30 AEEERN C#C[C@H](C)C[C@@H](O)c1ccccc1 238447322 573609976 /nfs/dbraw/zinc/60/99/76/573609976.db2.gz FFGCQFIPBJAOCL-CMPLNLGQSA-N 0 0 174.243 2.379 10 30 AEEERN Cc1cc2c(o1)CCC[C@@H]2C=O 75546159 573610047 /nfs/dbraw/zinc/61/00/47/573610047.db2.gz UYYRTGFWOUXKLP-MRVPVSSYSA-N 0 0 164.204 2.207 10 30 AEEERN CC(=O)C#CC1=CCCC[C@H]1C 238447497 573610200 /nfs/dbraw/zinc/61/02/00/573610200.db2.gz ZBVVTJFLAAJUJH-SECBINFHSA-N 0 0 162.232 2.325 10 30 AEEERN C=C[C@]12CCC[C@@H]1[C@@H](C)C2=O 238447774 573610216 /nfs/dbraw/zinc/61/02/16/573610216.db2.gz UIGLQJUEHGXUPL-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN Cc1cc([C@@H](O)CS)ccc1F 259126359 573610285 /nfs/dbraw/zinc/61/02/85/573610285.db2.gz JADKWFINGZZATP-VIFPVBQESA-N 0 0 186.251 2.097 10 30 AEEERN CCN1CC[C@H](C#N)[C@H]1c1ccco1 259528115 573610449 /nfs/dbraw/zinc/61/04/49/573610449.db2.gz BLNGWGCORNZSQM-KOLCDFICSA-N 0 0 190.246 2.186 10 30 AEEERN C[C@H](C#N)c1ccc(N)c(F)c1 75546032 573610318 /nfs/dbraw/zinc/61/03/18/573610318.db2.gz SXROZCCZEGDMNU-ZCFIWIBFSA-N 0 0 164.183 2.035 10 30 AEEERN C=C1C[C@@]12CC[C@@H](C)CC2=O 238447472 573610359 /nfs/dbraw/zinc/61/03/59/573610359.db2.gz GORJDENBXNDHPM-XCBNKYQSSA-N 0 0 150.221 2.322 10 30 AEEERN COc1ccc(SC)cc1CC=O 257837369 573610367 /nfs/dbraw/zinc/61/03/67/573610367.db2.gz LBCPPDUXRSFLRA-UHFFFAOYSA-N 0 0 196.271 2.159 10 30 AEEERN C=C1CCCC[C@@H](C)C1=O 238448052 573610378 /nfs/dbraw/zinc/61/03/78/573610378.db2.gz QXHXMAHJNUKNAZ-MRVPVSSYSA-N 0 0 138.210 2.322 10 30 AEEERN N#C[C@H](c1ncc[nH]1)C1CCCC1 259130663 573611771 /nfs/dbraw/zinc/61/17/71/573611771.db2.gz LUDLLOGBSYPGKO-VIFPVBQESA-N 0 0 175.235 2.207 10 30 AEEERN C[C@H]1CCCC(C=O)=C(O)C1(C)C 238449482 573611774 /nfs/dbraw/zinc/61/17/74/573611774.db2.gz TUTRJVLWWMTJMR-IUCAKERBSA-N 0 0 182.263 2.217 10 30 AEEERN C[C@H](CC#N)c1cc(O)ccc1O 238449621 573611791 /nfs/dbraw/zinc/61/17/91/573611791.db2.gz CRKKQPINSRSBCT-SSDOTTSWSA-N 0 0 177.203 2.115 10 30 AEEERN C[C@H]1CC[C@H](CC=O)C(C)(C)O1 75560255 573611219 /nfs/dbraw/zinc/61/12/19/573611219.db2.gz GFCNYZMDVYRBEC-DTWKUNHWSA-N 0 0 170.252 2.169 10 30 AEEERN N#Cc1cnc(Nc2cc[nH]c2)s1 258822811 573611231 /nfs/dbraw/zinc/61/12/31/573611231.db2.gz VZDPKJCMIDFGPB-UHFFFAOYSA-N 0 0 190.231 2.086 10 30 AEEERN CC(C)(C)c1c[nH]c(CCC#N)n1 259127516 573611276 /nfs/dbraw/zinc/61/12/76/573611276.db2.gz QPSZPBWYQIQDCH-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN N#CCc1csc(-c2cc[nH]c2)n1 259126769 573611391 /nfs/dbraw/zinc/61/13/91/573611391.db2.gz CFNPBRXFJUZLJX-UHFFFAOYSA-N 0 0 189.243 2.204 10 30 AEEERN N#C[C@@H]1CCc2c(csc2C=O)C1 259528209 573611451 /nfs/dbraw/zinc/61/14/51/573611451.db2.gz BMYMZZUPZDOEFN-SSDOTTSWSA-N 0 0 191.255 2.189 10 30 AEEERN N#C[C@H]1CCc2c(csc2C=O)C1 259528210 573611544 /nfs/dbraw/zinc/61/15/44/573611544.db2.gz BMYMZZUPZDOEFN-ZETCQYMHSA-N 0 0 191.255 2.189 10 30 AEEERN C[C@H]1CC[C@@]2(C)CCC(=O)C=C2[C@@H]1O 238449970 573611638 /nfs/dbraw/zinc/61/16/38/573611638.db2.gz XRGCRHWBTNPXFS-AXTRIDKLSA-N 0 0 194.274 2.073 10 30 AEEERN C=C1C[C@H](C)C(=O)[C@H](C)C1 238448821 573611698 /nfs/dbraw/zinc/61/16/98/573611698.db2.gz NMSZPQBLOVVSGG-OCAPTIKFSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)[C@]12CC(=O)[C@H](C)[C@H]1C2 238449824 573611720 /nfs/dbraw/zinc/61/17/20/573611720.db2.gz JQFBCROVUQXTIN-MRTMQBJTSA-N 0 0 150.221 2.178 10 30 AEEERN C=CCCCCC(=O)CC#N 223459937 573611738 /nfs/dbraw/zinc/61/17/38/573611738.db2.gz LBNPLRONZGAEOX-UHFFFAOYSA-N 0 0 151.209 2.216 10 30 AEEERN N#CC1(c2ccc3nccnc3c2)CC1 259527222 573611746 /nfs/dbraw/zinc/61/17/46/573611746.db2.gz DXKZXVNFXZNGAE-UHFFFAOYSA-N 0 0 195.225 2.185 10 30 AEEERN N#Cc1cnc2c(cnn2C2CCC2)c1 257837496 573611749 /nfs/dbraw/zinc/61/17/49/573611749.db2.gz ASBZPMYDDKPPCY-UHFFFAOYSA-N 0 0 198.229 2.028 10 30 AEEERN Cc1cc([C@H](O)CS)ccc1F 259126355 573611751 /nfs/dbraw/zinc/61/17/51/573611751.db2.gz JADKWFINGZZATP-SECBINFHSA-N 0 0 186.251 2.097 10 30 AEEERN CCC[C@@]1(C#N)CCCC1=O 83776712 573622313 /nfs/dbraw/zinc/62/23/13/573622313.db2.gz LZJBIUPUXRXGRG-VIFPVBQESA-N 0 0 151.209 2.049 10 30 AEEERN CCOC[C@@]1(C)CCC[C@@H](CC#N)O1 308644152 573622328 /nfs/dbraw/zinc/62/23/28/573622328.db2.gz FZXSAZPPIQTXOA-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN N#CC1(C[C@H]2CCCO2)CCC1 83775947 573622352 /nfs/dbraw/zinc/62/23/52/573622352.db2.gz YOPPXWPODUZRSK-SECBINFHSA-N 0 0 165.236 2.249 10 30 AEEERN CCOCCC1(C#N)CCC1 83775943 573622387 /nfs/dbraw/zinc/62/23/87/573622387.db2.gz HQMZDWXIJZXCAE-UHFFFAOYSA-N 0 0 153.225 2.107 10 30 AEEERN O=C[C@@H]1SCCc2ccccc21 75568698 573622422 /nfs/dbraw/zinc/62/24/22/573622422.db2.gz HSLHUBMXCGHRAS-JTQLQIEISA-N 0 0 178.256 2.216 10 30 AEEERN CC1(C)Cc2cc(C=NO)ccc2O1 308408405 573622442 /nfs/dbraw/zinc/62/24/42/573622442.db2.gz XRZGEZGDRKKRCS-UHFFFAOYSA-N 0 0 191.230 2.208 10 30 AEEERN C[C@@H]1CC2=CC(=O)C[C@@H](C2)C1 238452468 573622470 /nfs/dbraw/zinc/62/24/70/573622470.db2.gz JQFYJFHIGMJOHU-VXNVDRBHSA-N 0 0 150.221 2.322 10 30 AEEERN Cc1ccc(C)c(C(=O)C#N)c1 238452672 573622476 /nfs/dbraw/zinc/62/24/76/573622476.db2.gz NFDBRLYLHLKOCQ-UHFFFAOYSA-N 0 0 159.188 2.010 10 30 AEEERN CCn1cc(CC2(C#N)CCC2)cn1 83775972 573622570 /nfs/dbraw/zinc/62/25/70/573622570.db2.gz QINJEDUDAKAEMF-UHFFFAOYSA-N 0 0 189.262 2.139 10 30 AEEERN C[C@H]1c2ccccc2C(=O)[C@H]1C#N 238452622 573622625 /nfs/dbraw/zinc/62/26/25/573622625.db2.gz JQHAFXALOXQPPU-XVKPBYJWSA-N 0 0 171.199 2.126 10 30 AEEERN C=CC[C@@](C#N)([C@@H](C)C=C)N(C)C 75568831 573622694 /nfs/dbraw/zinc/62/26/94/573622694.db2.gz GYEOTWLPHMXFMH-WDEREUQCSA-N 0 0 178.279 2.209 10 30 AEEERN N#Cc1cc(N)c(Cc2ccccc2)[nH]1 259531819 573622792 /nfs/dbraw/zinc/62/27/92/573622792.db2.gz BRZNBWJIRKAJIX-UHFFFAOYSA-N 0 0 197.241 2.059 10 30 AEEERN CC[C@@]1(C#N)CCCCC1=O 83776574 573622860 /nfs/dbraw/zinc/62/28/60/573622860.db2.gz OLAONGJRKUMWJT-VIFPVBQESA-N 0 0 151.209 2.049 10 30 AEEERN C=C(C)C1CCC(O)CC1 142817738 573622897 /nfs/dbraw/zinc/62/28/97/573622897.db2.gz GFWXDEKBJSPZDR-UHFFFAOYSA-N 0 0 140.226 2.114 10 30 AEEERN C=CC[C@@](C#N)([C@H](C)C=C)N(C)C 75568835 573622910 /nfs/dbraw/zinc/62/29/10/573622910.db2.gz GYEOTWLPHMXFMH-GHMZBOCLSA-N 0 0 178.279 2.209 10 30 AEEERN COCC[C@]1(C#N)CC[C@H](C)C1 83782071 573629587 /nfs/dbraw/zinc/62/95/87/573629587.db2.gz JCKPTIFODFYYNH-VHSXEESVSA-N 0 0 167.252 2.353 10 30 AEEERN C[C@H](C=O)c1cn(C)c2ccccc12 75577786 573628911 /nfs/dbraw/zinc/62/89/11/573628911.db2.gz VDJHHCGXKBLFIY-SECBINFHSA-N 0 0 187.242 2.481 10 30 AEEERN CC1=CCCC(C)(C)[C@@]1(O)CC=O 75576063 573628955 /nfs/dbraw/zinc/62/89/55/573628955.db2.gz MHKJELHEGGIUST-LLVKDONJSA-N 0 0 182.263 2.073 10 30 AEEERN C=C1C(=O)[C@@H]2[C@H](C[C@@H]1C)C2(C)C 238453987 573629043 /nfs/dbraw/zinc/62/90/43/573629043.db2.gz MFRKBDITAQENNW-XVYDVKMFSA-N 0 0 164.248 2.424 10 30 AEEERN CN[C@@H](C#N)c1cccc(C(F)F)c1 124761861 573629053 /nfs/dbraw/zinc/62/90/53/573629053.db2.gz YBKXGKHJVWRXPH-VIFPVBQESA-N 0 0 196.200 2.408 10 30 AEEERN CC1=CC(=O)c2cc(C)c(O)c(O)c21 75579517 573629085 /nfs/dbraw/zinc/62/90/85/573629085.db2.gz ICTOYVFQUICDPB-UHFFFAOYSA-N 0 0 190.198 2.006 10 30 AEEERN Cc1cccc(OCC[C@H]2CO2)c1F 308650040 573629104 /nfs/dbraw/zinc/62/91/04/573629104.db2.gz JOIVUZABMDUFJG-VIFPVBQESA-N 0 0 196.221 2.302 10 30 AEEERN CC(=O)[C@@H]1CCC2=C([C@@H](C=O)C2)[C@@H]1C 238453178 573629141 /nfs/dbraw/zinc/62/91/41/573629141.db2.gz ZODBDHBQPVQRHF-AVPPRXQKSA-N 0 0 192.258 2.137 10 30 AEEERN CC1=CC(=O)c2c(C)cc(O)c(O)c21 75579518 573629356 /nfs/dbraw/zinc/62/93/56/573629356.db2.gz YZGCXEUKFBZQCU-UHFFFAOYSA-N 0 0 190.198 2.006 10 30 AEEERN Cc1ccc(-c2c(C)noc2C#N)nc1 259533543 573629378 /nfs/dbraw/zinc/62/93/78/573629378.db2.gz UHJPKSOKSIQCHP-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN COCC[C@@]1(C#N)CC[C@@H](C)C1 83782066 573629395 /nfs/dbraw/zinc/62/93/95/573629395.db2.gz JCKPTIFODFYYNH-ZJUUUORDSA-N 0 0 167.252 2.353 10 30 AEEERN Cc1nsc([C@H](C#N)CC(C)C)n1 259533770 573629483 /nfs/dbraw/zinc/62/94/83/573629483.db2.gz BZKMGMFUQWPWSM-QMMMGPOBSA-N 0 0 195.291 2.500 10 30 AEEERN Cc1ccc(COCC#N)c(C)c1 96541960 573629532 /nfs/dbraw/zinc/62/95/32/573629532.db2.gz VGMCJKWUFWFBIP-UHFFFAOYSA-N 0 0 175.231 2.344 10 30 AEEERN CC[C@H](C#N)C1(c2ccco2)COC1 258826478 573632162 /nfs/dbraw/zinc/63/21/62/573632162.db2.gz ZCOVPUZWTAUNAW-SECBINFHSA-N 0 0 191.230 2.097 10 30 AEEERN Cc1ccc(O)c2[nH]cc(C#N)c12 238459286 573632195 /nfs/dbraw/zinc/63/21/95/573632195.db2.gz LAJVZTPDJJJPKK-UHFFFAOYSA-N 0 0 172.187 2.054 10 30 AEEERN C=C1C(=O)C(C)(C)C[C@@H]1C 238460043 573632297 /nfs/dbraw/zinc/63/22/97/573632297.db2.gz GMLIKLYOBCGJGP-LURJTMIESA-N 0 0 138.210 2.178 10 30 AEEERN Fc1cccc(F)c1CC[C@@H]1CO1 107505960 573632299 /nfs/dbraw/zinc/63/22/99/573632299.db2.gz YMEQKNSNCWBCRA-SSDOTTSWSA-N 0 0 184.185 2.296 10 30 AEEERN CC(C)(C#N)CCOCC(F)F 130632830 573632342 /nfs/dbraw/zinc/63/23/42/573632342.db2.gz UPULUCLYJVUULR-UHFFFAOYSA-N 0 0 177.194 2.208 10 30 AEEERN C=C1CC[C@@H]2[C@@H](C=O)CCC(=O)[C@@]12C 238459997 573632441 /nfs/dbraw/zinc/63/24/41/573632441.db2.gz RXMRKUITUOPBCK-FOGDFJRCSA-N 0 0 192.258 2.137 10 30 AEEERN CCCc1nc(CC)cn1CCC#N 75580357 573632472 /nfs/dbraw/zinc/63/24/72/573632472.db2.gz KJDBKWXHROMLBS-UHFFFAOYSA-N 0 0 191.278 2.312 10 30 AEEERN SCNc1ccc2c(c1)CCC2 258825909 573632678 /nfs/dbraw/zinc/63/26/78/573632678.db2.gz ASSCAWKMVUIEEJ-UHFFFAOYSA-N 0 0 179.288 2.475 10 30 AEEERN C[C@@H](C=O)Cc1ccc(Cl)cc1N 238459466 573632709 /nfs/dbraw/zinc/63/27/09/573632709.db2.gz ZBFAFSZAMDEGFH-SSDOTTSWSA-N 0 0 197.665 2.300 10 30 AEEERN C=C1[C@@H](C)CC(C)(C)C[C@@H]1O 238461014 573637985 /nfs/dbraw/zinc/63/79/85/573637985.db2.gz TYZXXBKXTTXSDI-CBAPKCEASA-N 0 0 154.253 2.360 10 30 AEEERN C=C1[C@@H](C)CC(C)(C)C[C@H]1O 238460744 573638014 /nfs/dbraw/zinc/63/80/14/573638014.db2.gz TYZXXBKXTTXSDI-IONNQARKSA-N 0 0 154.253 2.360 10 30 AEEERN C[C@@]1(C#N)CCOc2ccccc21 83791933 573638021 /nfs/dbraw/zinc/63/80/21/573638021.db2.gz JOHSDEGZPWKCIO-NSHDSACASA-N 0 0 173.215 2.250 10 30 AEEERN C#CCC(=O)[C@H]1CCc2ccccc21 83798618 573638113 /nfs/dbraw/zinc/63/81/13/573638113.db2.gz YKYPFZCNGHIQMP-LBPRGKRZSA-N 0 0 184.238 2.309 10 30 AEEERN Cc1cccc(C)c1OCC[C@@H]1CO1 308651224 573638172 /nfs/dbraw/zinc/63/81/72/573638172.db2.gz KGFWDFZSYKXOCM-LLVKDONJSA-N 0 0 192.258 2.471 10 30 AEEERN C#CCCOC(=O)[C@H](C)CC(=C)C 393545551 573638237 /nfs/dbraw/zinc/63/82/37/573638237.db2.gz DWSCMUYYEWZUGI-SNVBAGLBSA-N 0 0 180.247 2.155 10 30 AEEERN Cc1csc(CCCS)n1 259147254 573638265 /nfs/dbraw/zinc/63/82/65/573638265.db2.gz DQPKQPAITAUVEN-UHFFFAOYSA-N 0 0 173.306 2.314 10 30 AEEERN C=C1CCCC[C@@H]1[C@@H](C)O 238467720 573638377 /nfs/dbraw/zinc/63/83/77/573638377.db2.gz RJOPXELEVHNEGN-BDAKNGLRSA-N 0 0 140.226 2.114 10 30 AEEERN CC1(Cn2ccnc2C#N)CCCC1 307101873 573638378 /nfs/dbraw/zinc/63/83/78/573638378.db2.gz BBNBOCWKNMPCJT-UHFFFAOYSA-N 0 0 189.262 2.335 10 30 AEEERN C[C@H]1CCC[C@H]1CCC=O 238461041 573638383 /nfs/dbraw/zinc/63/83/83/573638383.db2.gz YIHOLUYUAFHUKU-IUCAKERBSA-N 0 0 140.226 2.402 10 30 AEEERN O/N=C(/c1cccs1)C1CC1 213164341 573638564 /nfs/dbraw/zinc/63/85/64/573638564.db2.gz RRGPUMWRUBUMQC-CMDGGOBGSA-N 0 0 167.233 2.336 10 30 AEEERN C[C@@H](CCC#N)c1cccnc1 107547418 573638586 /nfs/dbraw/zinc/63/85/86/573638586.db2.gz BQZZEKFXMXRZQF-VIFPVBQESA-N 0 0 160.220 2.489 10 30 AEEERN N#CCC1(c2cnc3ccccn23)CC1 259538883 573638595 /nfs/dbraw/zinc/63/85/95/573638595.db2.gz CHSPNWROGSTSDV-UHFFFAOYSA-N 0 0 197.241 2.280 10 30 AEEERN Fc1ccc(F)c(CC[C@H]2CO2)c1 107606728 573638637 /nfs/dbraw/zinc/63/86/37/573638637.db2.gz VJVXUYNKTJBWBK-VIFPVBQESA-N 0 0 184.185 2.296 10 30 AEEERN C=C1CC[C@]2(C=O)CCCC[C@]2(O)C1 75596914 573638692 /nfs/dbraw/zinc/63/86/92/573638692.db2.gz YTGOEZMKTRKUOQ-RYUDHWBXSA-N 0 0 194.274 2.217 10 30 AEEERN c1csc(CC[C@@H]2CO2)c1 107595048 573638693 /nfs/dbraw/zinc/63/86/93/573638693.db2.gz RWXZUKKTMBSJEK-SSDOTTSWSA-N 0 0 154.234 2.080 10 30 AEEERN C[C@]1(C#N)CCOc2ccccc21 83791932 573638860 /nfs/dbraw/zinc/63/88/60/573638860.db2.gz JOHSDEGZPWKCIO-LLVKDONJSA-N 0 0 173.215 2.250 10 30 AEEERN N#C[C@@H]1CCc2cccc(F)c2OC1 259537269 573638993 /nfs/dbraw/zinc/63/89/93/573638993.db2.gz CGVHIQSKDXXKGH-QMMMGPOBSA-N 0 0 191.205 2.290 10 30 AEEERN C=C(/C=C\C(C)=O)CC 206021066 573639007 /nfs/dbraw/zinc/63/90/07/573639007.db2.gz LFFJNPSTVBKEDH-WAYWQWQTSA-N 0 0 124.183 2.098 10 30 AEEERN Cc1cc(C)c(C(=O)[C@@H]2CO2)c(C)c1 259146904 573639094 /nfs/dbraw/zinc/63/90/94/573639094.db2.gz KCAZXIUFIHXKET-JTQLQIEISA-N 0 0 190.242 2.193 10 30 AEEERN Cc1ccccc1C#CCC#N 238461744 573639274 /nfs/dbraw/zinc/63/92/74/573639274.db2.gz GUQBIHTUVYZOBK-UHFFFAOYSA-N 0 0 155.200 2.260 10 30 AEEERN Cc1c(C#N)cccc1C[C@@H](C)C=O 238461338 573639314 /nfs/dbraw/zinc/63/93/14/573639314.db2.gz FCVTVVQSVVSWFS-SECBINFHSA-N 0 0 187.242 2.244 10 30 AEEERN Cc1cc(CC#N)ncc1C1CC1 238471134 573656231 /nfs/dbraw/zinc/65/62/31/573656231.db2.gz SAOUUQXSJMELQM-UHFFFAOYSA-N 0 0 172.231 2.334 10 30 AEEERN C[C@H](C#N)[C@@H]1[C@@H](C)CCC[C@@H]1C=O 238458647 573655523 /nfs/dbraw/zinc/65/55/23/573655523.db2.gz KXXMSZOGVXMQMM-ZDCRXTMVSA-N 0 0 179.263 2.397 10 30 AEEERN C[C@@H]1SC[C@@H]2C[C@H](C#N)C[C@@H]12 259542589 573655527 /nfs/dbraw/zinc/65/55/27/573655527.db2.gz GKUHKROKPBZVCD-JBDRJPRFSA-N 0 0 167.277 2.288 10 30 AEEERN CCCCC[C@@H](O)C#CCl 224498903 573655599 /nfs/dbraw/zinc/65/55/99/573655599.db2.gz ALMVMRSPTJKZSA-MRVPVSSYSA-N 0 0 160.644 2.127 10 30 AEEERN CC(=O)[C@]1(C)[C@@H](C)CCC[C@@H]1C=O 238458734 573655607 /nfs/dbraw/zinc/65/56/07/573655607.db2.gz HFWAEHZTIKDCHO-GDPRMGEGSA-N 0 0 182.263 2.217 10 30 AEEERN C=CC[C@]1(C)C(=O)CCC[C@H]1C#N 238471332 573655793 /nfs/dbraw/zinc/65/57/93/573655793.db2.gz XUGZMEDEAXJYGE-ONGXEEELSA-N 0 0 177.247 2.462 10 30 AEEERN C#CCOc1ccc2nc(C)oc2c1 259543803 573655797 /nfs/dbraw/zinc/65/57/97/573655797.db2.gz VLZJWQRNLBBVIQ-UHFFFAOYSA-N 0 0 187.198 2.148 10 30 AEEERN C=C(C)[C@H](Nc1ccccc1)[C@H](C)O 238470967 573655877 /nfs/dbraw/zinc/65/58/77/573655877.db2.gz BBQTWEOVWBGFTG-JQWIXIFHSA-N 0 0 191.274 2.424 10 30 AEEERN C=C[C@@](C)(O)c1cc(C)ccc1O 238458186 573655951 /nfs/dbraw/zinc/65/59/51/573655951.db2.gz MNSXLOVMDHYUAX-LLVKDONJSA-N 0 0 178.231 2.094 10 30 AEEERN C=CCc1c(C)cc(O)c(O)c1C 238471220 573655998 /nfs/dbraw/zinc/65/59/98/573655998.db2.gz HMOOGDJXIICPLD-UHFFFAOYSA-N 0 0 178.231 2.443 10 30 AEEERN Cc1cc(CC#N)[nH]c(=O)c1C(F)F 238471059 573656036 /nfs/dbraw/zinc/65/60/36/573656036.db2.gz ZETPQWGNSCQWTR-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CN(CS)c1ccc(F)cc1 258853239 573656048 /nfs/dbraw/zinc/65/60/48/573656048.db2.gz DOWQXNJCTIITJK-UHFFFAOYSA-N 0 0 171.240 2.149 10 30 AEEERN C[C@H](S)/C=C/CCCCO 238470925 573656118 /nfs/dbraw/zinc/65/61/18/573656118.db2.gz KKJAONUCGGSHJJ-JQTRYQTASA-N 0 0 160.282 2.024 10 30 AEEERN C[C@H](CC=O)c1ccccc1N(C)C 258083319 573656203 /nfs/dbraw/zinc/65/62/03/573656203.db2.gz NHWVTFLWCYFPGK-SNVBAGLBSA-N 0 0 191.274 2.445 10 30 AEEERN Cc1ccc(C[C@@H](C)C=O)cc1O 238458004 573657033 /nfs/dbraw/zinc/65/70/33/573657033.db2.gz JVGJLSKSXQXOOW-MRVPVSSYSA-N 0 0 178.231 2.078 10 30 AEEERN Cc1ccc(NCC=O)c(C)c1C 258847972 573656316 /nfs/dbraw/zinc/65/63/16/573656316.db2.gz IQRDJQDZNDHFTE-UHFFFAOYSA-N 0 0 177.247 2.223 10 30 AEEERN Cc1cn2cc(CCC#N)nc2s1 259542561 573656394 /nfs/dbraw/zinc/65/63/94/573656394.db2.gz CSTKXXFZWUBBCR-UHFFFAOYSA-N 0 0 191.259 2.160 10 30 AEEERN N#C[C@@H]1CC[C@@H]2SCC[C@H]2C1 259542659 573656481 /nfs/dbraw/zinc/65/64/81/573656481.db2.gz GLKRQELVGMBATB-VGMNWLOBSA-N 0 0 167.277 2.432 10 30 AEEERN Cc1cc(CC#N)ncc1C(F)F 238471117 573656490 /nfs/dbraw/zinc/65/64/90/573656490.db2.gz UNOWPHUWWVOXOQ-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN C[C@@H]1C[C@@H]1c1nc(CC#N)cs1 83810644 573656526 /nfs/dbraw/zinc/65/65/26/573656526.db2.gz IAVFDGHILNFPLB-SVRRBLITSA-N 0 0 178.260 2.333 10 30 AEEERN C=C(CO)c1ccc(Cl)s1 258083379 573656545 /nfs/dbraw/zinc/65/65/45/573656545.db2.gz FXTDXDHBUMIOES-UHFFFAOYSA-N 0 0 174.652 2.407 10 30 AEEERN C#CCN(C)C(=O)CC1CCCCC1 130704669 573656618 /nfs/dbraw/zinc/65/66/18/573656618.db2.gz HHNOLCQEJGGLAK-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN CC(C)(C)OC1(C=O)CCCC1 259543209 573656662 /nfs/dbraw/zinc/65/66/62/573656662.db2.gz BXQMIPZLYYHMTQ-UHFFFAOYSA-N 0 0 170.252 2.313 10 30 AEEERN C[C@H]1CC(=O)[C@](C)(CCC#N)C1 238458601 573656666 /nfs/dbraw/zinc/65/66/66/573656666.db2.gz NWQFTLWISTUIGO-WCBMZHEXSA-N 0 0 165.236 2.295 10 30 AEEERN C[C@@H]1C(=O)C=CC(C)(C)[C@H]1C 238458428 573656698 /nfs/dbraw/zinc/65/66/98/573656698.db2.gz GTRHOYCRSOKTAD-YUMQZZPRSA-N 0 0 152.237 2.424 10 30 AEEERN N#Cc1cc2c(N)csc2cc1O 307118634 573656784 /nfs/dbraw/zinc/65/67/84/573656784.db2.gz XEEFKBPOGNOWAF-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@@H]1C 238458320 573656905 /nfs/dbraw/zinc/65/69/05/573656905.db2.gz CZUYJUUMDUMIDE-CIUDSAMLSA-N 0 0 152.237 2.424 10 30 AEEERN CC(=O)/C(=C\c1ccccc1)[C@H](C)O 238476100 573663532 /nfs/dbraw/zinc/66/35/32/573663532.db2.gz VTUJHGDQMXJNPC-RILYUOAZSA-N 0 0 190.242 2.040 10 30 AEEERN CCO[C@@]1(C#N)CCCC1(C)C 86869977 573664320 /nfs/dbraw/zinc/66/43/20/573664320.db2.gz ABGQLMBUOCVRCB-SNVBAGLBSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@@H]1C[C@@H](C)CC[C@@H]1CC#N 259546572 573663670 /nfs/dbraw/zinc/66/36/70/573663670.db2.gz BHHGQYABABEZLI-IVZWLZJFSA-N 0 0 167.252 2.351 10 30 AEEERN CCCCC(C)=NO[C@@H]1CCOC1 308416499 573663731 /nfs/dbraw/zinc/66/37/31/573663731.db2.gz NJUPOKVGXUQZDH-SNVBAGLBSA-N 0 0 185.267 2.358 10 30 AEEERN CC[C@@H](C#N)CNc1ccccn1 258864043 573663772 /nfs/dbraw/zinc/66/37/72/573663772.db2.gz AVJIFGUPJCQVIB-VIFPVBQESA-N 0 0 175.235 2.043 10 30 AEEERN O=CC1(C(F)(F)C(F)(F)F)CC1 257846583 573663882 /nfs/dbraw/zinc/66/38/82/573663882.db2.gz NTOSOAUCUHJCKD-UHFFFAOYSA-N 0 0 188.095 2.163 10 30 AEEERN Cn1c(CS)cc2cccc(O)c21 257846589 573663906 /nfs/dbraw/zinc/66/39/06/573663906.db2.gz AIURRRHMFIUHJY-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN Nc1ccc(CS)cc1Cl 258084622 573663925 /nfs/dbraw/zinc/66/39/25/573663925.db2.gz IRSNTGAFCAAUNO-UHFFFAOYSA-N 0 0 173.668 2.352 10 30 AEEERN C=C[C@H](CO)c1ccc(C)cc1 238474224 573664061 /nfs/dbraw/zinc/66/40/61/573664061.db2.gz KDBDDUFDAJVKNB-SNVBAGLBSA-N 0 0 162.232 2.257 10 30 AEEERN CC(C)[C@@H](CC#N)Cc1nccn1C 259546328 573664139 /nfs/dbraw/zinc/66/41/39/573664139.db2.gz CYTNBPJNOGDMPW-JTQLQIEISA-N 0 0 191.278 2.148 10 30 AEEERN C=C(C)CC[C@@H]1NC(=O)CC[C@@H]1C 238475320 573668575 /nfs/dbraw/zinc/66/85/75/573668575.db2.gz WLBSTERJVYSNEC-UWVGGRQHSA-N 0 0 181.279 2.257 10 30 AEEERN CC1=CC(=O)[C@H](C)C[C@@H]2C[C@@H]12 238474238 573668601 /nfs/dbraw/zinc/66/86/01/573668601.db2.gz TUUPAKCMRWBMIS-HLTSFMKQSA-N 0 0 150.221 2.178 10 30 AEEERN C=C(C)CC[C@H]1NC(=O)CC[C@@H]1C 238475193 573668652 /nfs/dbraw/zinc/66/86/52/573668652.db2.gz WLBSTERJVYSNEC-VHSXEESVSA-N 0 0 181.279 2.257 10 30 AEEERN C[C@H](C=O)C[C@@H]1C[C@@H](C)CCO1 238474409 573668701 /nfs/dbraw/zinc/66/87/01/573668701.db2.gz VVNMCMZNJJOQIF-GUBZILKMSA-N 0 0 170.252 2.027 10 30 AEEERN CN(CC(C)(C)C#N)c1ccc[nH]1 258857659 573668721 /nfs/dbraw/zinc/66/87/21/573668721.db2.gz FBZZTZQJVABXIY-UHFFFAOYSA-N 0 0 177.251 2.001 10 30 AEEERN C[C@@H](O)[C@@](C)(C#N)Cc1ccccc1 238474326 573668745 /nfs/dbraw/zinc/66/87/45/573668745.db2.gz LGZRMYKPIVBDDI-ZYHUDNBSSA-N 0 0 189.258 2.140 10 30 AEEERN C=CC[C@@H](O)/C=C/C=C/C 224523475 573668799 /nfs/dbraw/zinc/66/87/99/573668799.db2.gz LRQNBGMHRACJAH-ZSLBFCFWSA-N 0 0 138.210 2.056 10 30 AEEERN Cc1cc(C#N)cc(C2(O)CC2)c1C 258075725 573669109 /nfs/dbraw/zinc/66/91/09/573669109.db2.gz MRMSRIJFYWYACS-UHFFFAOYSA-N 0 0 187.242 2.157 10 30 AEEERN CC[C@@H](CC#N)C(=O)c1cccnc1 43368407 573669175 /nfs/dbraw/zinc/66/91/75/573669175.db2.gz QEJYPTCUTLAEBI-VIFPVBQESA-N 0 0 188.230 2.204 10 30 AEEERN Cc1ccc(N(C)[C@H](C)C#N)cc1 258854470 573669181 /nfs/dbraw/zinc/66/91/81/573669181.db2.gz SFKWXZVIBRYJBQ-SNVBAGLBSA-N 0 0 174.247 2.343 10 30 AEEERN Cc1ccccc1CCN(C)CS 258855593 573669190 /nfs/dbraw/zinc/66/91/90/573669190.db2.gz DWKRPKNCEJXDBV-UHFFFAOYSA-N 0 0 195.331 2.357 10 30 AEEERN CC(C)(C)c1n[nH]c2c1CC[C@H]2C#N 259546456 573669252 /nfs/dbraw/zinc/66/92/52/573669252.db2.gz DAKQVJFMPNIMQF-ZETCQYMHSA-N 0 0 189.262 2.261 10 30 AEEERN C[C@H]1CC=CC2=CC(=O)CC[C@@H]21 238469498 573679401 /nfs/dbraw/zinc/67/94/01/573679401.db2.gz FQRRHPBGXYNBSL-GZMMTYOYSA-N 0 0 162.232 2.488 10 30 AEEERN C=CCc1c(O)cc(C)cc1O 238469297 573679508 /nfs/dbraw/zinc/67/95/08/573679508.db2.gz YXJWOQSHCISHSM-UHFFFAOYSA-N 0 0 164.204 2.135 10 30 AEEERN C[C@H]1CC=C([Si](C)(C)C)C1=O 238469059 573679512 /nfs/dbraw/zinc/67/95/12/573679512.db2.gz WHSVKWFCRDYXCV-ZETCQYMHSA-N 0 0 168.312 2.399 10 30 AEEERN Cc1ccc(CCN[C@H](C)C#N)cc1 258865784 573679578 /nfs/dbraw/zinc/67/95/78/573679578.db2.gz UBWDVWRZLUBCBM-LLVKDONJSA-N 0 0 188.274 2.039 10 30 AEEERN CC(C)(O)c1ccc(CCC=O)cc1 259550023 573679598 /nfs/dbraw/zinc/67/95/98/573679598.db2.gz VROXPOCQDSJDOZ-UHFFFAOYSA-N 0 0 192.258 2.046 10 30 AEEERN COc1ccc([C@H](C)CC=O)c(O)c1 258090743 573679632 /nfs/dbraw/zinc/67/96/32/573679632.db2.gz NYKCCIRSWOFDIM-MRVPVSSYSA-N 0 0 194.230 2.093 10 30 AEEERN Cc1ccnc(Cl)c1CC#N 238469640 573679774 /nfs/dbraw/zinc/67/97/74/573679774.db2.gz LOXQQYHFQRNWOW-UHFFFAOYSA-N 0 0 166.611 2.110 10 30 AEEERN N#Cc1ccc(-c2ccns2)nc1 259550800 573679782 /nfs/dbraw/zinc/67/97/82/573679782.db2.gz CWPTVCWRLQAAPN-UHFFFAOYSA-N 0 0 187.227 2.077 10 30 AEEERN N#CCCc1cnc2ccc(O)cc2c1 259548792 573679791 /nfs/dbraw/zinc/67/97/91/573679791.db2.gz HBBBWSHYWKLMCX-UHFFFAOYSA-N 0 0 198.225 2.397 10 30 AEEERN Cc1c(Cl)cccc1NC(=O)C#N 238469402 573679810 /nfs/dbraw/zinc/67/98/10/573679810.db2.gz BQBNDNAOIKVBHV-UHFFFAOYSA-N 0 0 194.621 2.111 10 30 AEEERN C=C[C@@H]1C(=C)C[C@H]2C(=O)CC[C@H]12 150256653 573679865 /nfs/dbraw/zinc/67/98/65/573679865.db2.gz UTTVVBCDPREMQP-OPRDCNLKSA-N 0 0 162.232 2.344 10 30 AEEERN C=CCC1=CC[C@H](C)C[C@H]1O 238468852 573679935 /nfs/dbraw/zinc/67/99/35/573679935.db2.gz QWIGEJNMJKIZRT-WCBMZHEXSA-N 0 0 152.237 2.280 10 30 AEEERN N#CCC1(Cn2cccc2)CC1 83855355 573682874 /nfs/dbraw/zinc/68/28/74/573682874.db2.gz WBVSBBSWVTVGEM-UHFFFAOYSA-N 0 0 160.220 2.182 10 30 AEEERN COc1cccc2c(CC#N)ccnc12 214932631 573682896 /nfs/dbraw/zinc/68/28/96/573682896.db2.gz NUARHHSMXOFWBK-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN C=CC(=C)C[C@@H](O)c1cccnc1 238694513 573682168 /nfs/dbraw/zinc/68/21/68/573682168.db2.gz PEZKGFVXHWUQLZ-LLVKDONJSA-N 0 0 175.231 2.247 10 30 AEEERN C[C@H]1CC=CC2=CC(=O)CC[C@H]21 238469482 573682207 /nfs/dbraw/zinc/68/22/07/573682207.db2.gz FQRRHPBGXYNBSL-KWQFWETISA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H]1C(=C)C[C@H]2C(=O)CC[C@@H]12 150256237 573682226 /nfs/dbraw/zinc/68/22/26/573682226.db2.gz UTTVVBCDPREMQP-KXUCPTDWSA-N 0 0 162.232 2.344 10 30 AEEERN C=CC(C)(C)[C@H](C)CC=O 238468725 573682229 /nfs/dbraw/zinc/68/22/29/573682229.db2.gz LBAPQSXWYJPEIT-MRVPVSSYSA-N 0 0 140.226 2.424 10 30 AEEERN C[C@@H](C=O)Oc1ccccc1Cl 238468827 573682303 /nfs/dbraw/zinc/68/23/03/573682303.db2.gz AEUBHRINHFKDFO-ZETCQYMHSA-N 0 0 184.622 2.306 10 30 AEEERN SCNc1ccc2c(c1)CCCO2 258875626 573682323 /nfs/dbraw/zinc/68/23/23/573682323.db2.gz HEOGLWGFCRKYPC-UHFFFAOYSA-N 0 0 195.287 2.311 10 30 AEEERN COc1ccc2c(CC#N)ccnc2c1 214932699 573682364 /nfs/dbraw/zinc/68/23/64/573682364.db2.gz DXFIOEWLXRXUOP-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN Cc1cc(CC#N)c(C(F)F)c(=O)[nH]1 238469091 573682383 /nfs/dbraw/zinc/68/23/83/573682383.db2.gz ADCFXPSWTQWLLR-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN Cc1cc(CC#N)c(C(F)F)cn1 238469110 573682422 /nfs/dbraw/zinc/68/24/22/573682422.db2.gz GDSLYDISQJSNRF-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN COc1ncc(CC#N)c2ccccc12 214932488 573682449 /nfs/dbraw/zinc/68/24/49/573682449.db2.gz ZGEXLJSZZNLFOG-UHFFFAOYSA-N 0 0 198.225 2.309 10 30 AEEERN Cc1cc(CC#N)c(O)c(C(F)F)n1 238469845 573682525 /nfs/dbraw/zinc/68/25/25/573682525.db2.gz WSHDJLHYSJKFIG-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CCSCc1cc(N)ccc1O 393547708 573682543 /nfs/dbraw/zinc/68/25/43/573682543.db2.gz KDJZFQQMOZKEPX-UHFFFAOYSA-N 0 0 195.287 2.394 10 30 AEEERN C[C@H](CC=O)C1SCCCS1 238468853 573682560 /nfs/dbraw/zinc/68/25/60/573682560.db2.gz ZBGAXUFQSAKPJF-SSDOTTSWSA-N 0 0 190.333 2.408 10 30 AEEERN CC(=C=Cc1ccccc1)C=O 238469331 573682616 /nfs/dbraw/zinc/68/26/16/573682616.db2.gz HLOHLOLJINDAQK-KTKRTIGZSA-N 0 0 158.200 2.500 10 30 AEEERN Cc1cc(CC#N)nc(C)c1C 238470851 573686161 /nfs/dbraw/zinc/68/61/61/573686161.db2.gz DDQUFSANJHWCIL-UHFFFAOYSA-N 0 0 160.220 2.073 10 30 AEEERN C=C(C)C1=C(CO)[C@@H](C)CC1 238478048 573686173 /nfs/dbraw/zinc/68/61/73/573686173.db2.gz RZVZRULMNCVNHA-QMMMGPOBSA-N 0 0 152.237 2.281 10 30 AEEERN C#CC[C@H](O)/C(=C/C)[Si](C)(C)C 237988241 573686218 /nfs/dbraw/zinc/68/62/18/573686218.db2.gz QFQZQSXNQWEWEV-CBFJXKFUSA-N 0 0 182.339 2.194 10 30 AEEERN N#Cc1cc2ccc3c(c2cn1)OCC3 259556533 573686292 /nfs/dbraw/zinc/68/62/92/573686292.db2.gz DTHFIJVGALHKRJ-UHFFFAOYSA-N 0 0 196.209 2.041 10 30 AEEERN Cc1csc([C@H](C#N)C2CC2)n1 259556018 573686831 /nfs/dbraw/zinc/68/68/31/573686831.db2.gz DPYRHMZIZOLQNS-MRVPVSSYSA-N 0 0 178.260 2.469 10 30 AEEERN C=CC[C@@]1(C)CCC=C[C@H]1O 238470522 573686364 /nfs/dbraw/zinc/68/63/64/573686364.db2.gz VSTNAOMIMQSCBQ-ZJUUUORDSA-N 0 0 152.237 2.280 10 30 AEEERN Cc1cc(CC#N)cc(C)c1C#N 238470036 573686413 /nfs/dbraw/zinc/68/64/13/573686413.db2.gz UKMOZAJYCSTJQF-UHFFFAOYSA-N 0 0 170.215 2.241 10 30 AEEERN N#C[C@H]1CCOC2(CCSCC2)C1 86903702 573686467 /nfs/dbraw/zinc/68/64/67/573686467.db2.gz VCYNQUBHRSEDGY-VIFPVBQESA-N 0 0 197.303 2.202 10 30 AEEERN CCCc1ccc(OC)c(CC=O)c1 257847317 573686479 /nfs/dbraw/zinc/68/64/79/573686479.db2.gz OARVAGDOMQKIBV-UHFFFAOYSA-N 0 0 192.258 2.389 10 30 AEEERN C=CC/C(=C/C)C[C@H](C)O 237984090 573686516 /nfs/dbraw/zinc/68/65/16/573686516.db2.gz HOFGGGKZYIRKEU-HXOPTJOXSA-N 0 0 140.226 2.280 10 30 AEEERN CCCc1cc(CC#N)sc1N 259555912 573686535 /nfs/dbraw/zinc/68/65/35/573686535.db2.gz DOBXUVKDDLJNTQ-UHFFFAOYSA-N 0 0 180.276 2.349 10 30 AEEERN C=C[C@@H](CC)OC(=O)/C=C/C1CC1 308421766 573686608 /nfs/dbraw/zinc/68/66/08/573686608.db2.gz OYVNQFCFRDLSIG-JARNTUPDSA-N 0 0 180.247 2.460 10 30 AEEERN CN(CC(C)(C)C#N)c1cccnc1 258879753 573686633 /nfs/dbraw/zinc/68/66/33/573686633.db2.gz HYFVTKCBMHMFBB-UHFFFAOYSA-N 0 0 189.262 2.068 10 30 AEEERN N#Cc1ccccc1[C@H]1CCOC1 258092318 573686691 /nfs/dbraw/zinc/68/66/91/573686691.db2.gz WXEQIEPJRODXMK-JTQLQIEISA-N 0 0 173.215 2.062 10 30 AEEERN C[C@H](O)C#Cc1cccc2ccoc12 238479581 573686729 /nfs/dbraw/zinc/68/67/29/573686729.db2.gz FJSKUNSYBQETPZ-VIFPVBQESA-N 0 0 186.210 2.165 10 30 AEEERN Cc1cccc(C)c1C#C[C@H](C)O 238479206 573686754 /nfs/dbraw/zinc/68/67/54/573686754.db2.gz JGSTYFSQDXUIQC-NSHDSACASA-N 0 0 174.243 2.036 10 30 AEEERN Cc1csc([C@@H](C#N)C2CC2)n1 259556022 573686804 /nfs/dbraw/zinc/68/68/04/573686804.db2.gz DPYRHMZIZOLQNS-QMMMGPOBSA-N 0 0 178.260 2.469 10 30 AEEERN C[C@@H]1CCCC(=O)C2=C1CCC2=O 197473715 573696902 /nfs/dbraw/zinc/69/69/02/573696902.db2.gz OFDIZCMUQKNQRJ-SSDOTTSWSA-N 0 0 178.231 2.035 10 30 AEEERN CCCCOc1nc(C)ccc1C#N 43400508 573696915 /nfs/dbraw/zinc/69/69/15/573696915.db2.gz GKXXBIRAPFRZER-UHFFFAOYSA-N 0 0 190.246 2.441 10 30 AEEERN CC1(C)C[C@@]1(C#N)CC12CC(CO1)C2 716109375 573697036 /nfs/dbraw/zinc/69/70/36/573697036.db2.gz TYWRYHAMHLHHTA-ZYXZCXLHSA-N 0 0 191.274 2.495 10 30 AEEERN C=C([C@H](C)O)[C@@H]1CC=CCC1 238480799 573697089 /nfs/dbraw/zinc/69/70/89/573697089.db2.gz VVBXXDUJRADJIL-VHSXEESVSA-N 0 0 152.237 2.280 10 30 AEEERN C=C(c1ccccc1C)[C@H](C)O 238480991 573697094 /nfs/dbraw/zinc/69/70/94/573697094.db2.gz KECGKFACUFUPMM-JTQLQIEISA-N 0 0 162.232 2.389 10 30 AEEERN Cc1cc(C#N)cc2oncc12 238481637 573697124 /nfs/dbraw/zinc/69/71/24/573697124.db2.gz NRVSZFCHTHZFIW-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN CN(CC=O)c1cccc2ccccc12 258885291 573697129 /nfs/dbraw/zinc/69/71/29/573697129.db2.gz MGYCIZGVAIYDOM-UHFFFAOYSA-N 0 0 199.253 2.475 10 30 AEEERN Cc1cc(C#N)cc2[nH]c(=S)[nH]c12 238481559 573697236 /nfs/dbraw/zinc/69/72/36/573697236.db2.gz SFVMXQQSUSSKBJ-UHFFFAOYSA-N 0 0 189.243 2.032 10 30 AEEERN C/C=C/C=CCC1=C(C)[C@H](O)CC1=O 238001142 573697256 /nfs/dbraw/zinc/69/72/56/573697256.db2.gz XETBNYQUUIQGSC-XXZAKMSKSA-N 0 0 192.258 2.159 10 30 AEEERN Cc1cc(C#N)ccc1CF 238482043 573697369 /nfs/dbraw/zinc/69/73/69/573697369.db2.gz MKYZYBXLAIJDHT-UHFFFAOYSA-N 0 0 149.168 2.336 10 30 AEEERN Cc1cc(C#N)cc2nc(N)sc12 238481536 573697397 /nfs/dbraw/zinc/69/73/97/573697397.db2.gz CGJPVXOYVDXPNX-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN N#CC1(Sc2ccccc2)COC1 259167114 573697441 /nfs/dbraw/zinc/69/74/41/573697441.db2.gz HDMNNIIFIVRDGU-UHFFFAOYSA-N 0 0 191.255 2.071 10 30 AEEERN COc1ccc(F)c(C)c1CCC=O 258088223 573697489 /nfs/dbraw/zinc/69/74/89/573697489.db2.gz NVZDGTRNNIFXLS-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CC[C@@H]1CCCCC[C@H](C=O)O1 197460956 573697508 /nfs/dbraw/zinc/69/75/08/573697508.db2.gz TZOKNZUABXPSPT-NXEZZACHSA-N 0 0 170.252 2.313 10 30 AEEERN C=C(CO)C[C@H]1CCCCS1 258088032 573697530 /nfs/dbraw/zinc/69/75/30/573697530.db2.gz GGPZPQLMSUEHEI-SECBINFHSA-N 0 0 172.293 2.211 10 30 AEEERN N#CCC[C@@H]1CCc2cnoc2C1 259558427 573697696 /nfs/dbraw/zinc/69/76/96/573697696.db2.gz CEQUNRZPKHUQTF-MRVPVSSYSA-N 0 0 176.219 2.083 10 30 AEEERN C=CC/C=C(\C)[C@H](O)/C=C/OCC 393551136 573698407 /nfs/dbraw/zinc/69/84/07/573698407.db2.gz FUHBQBRGJASHNM-QYCSMGEQSA-N 0 0 182.263 2.420 10 30 AEEERN CC(C)[C@H](C#N)c1nccs1 259558237 573697733 /nfs/dbraw/zinc/69/77/33/573697733.db2.gz SBKFBZWGCGRMLL-ZETCQYMHSA-N 0 0 166.249 2.406 10 30 AEEERN CN(CS)CCc1ccc(F)cc1 258885811 573697739 /nfs/dbraw/zinc/69/77/39/573697739.db2.gz IRZHHCLMKXECLL-UHFFFAOYSA-N 0 0 199.294 2.187 10 30 AEEERN CCO[C@@]1(C#N)CC(C)(C)OC1(C)C 86928862 573697804 /nfs/dbraw/zinc/69/78/04/573697804.db2.gz QGIZATKLVNDJPM-LLVKDONJSA-N 0 0 197.278 2.263 10 30 AEEERN CC(C)[C@@]1(C=O)SC[C@H](C)S1 197475412 573697843 /nfs/dbraw/zinc/69/78/43/573697843.db2.gz KQMVBHWHXFVCPL-YUMQZZPRSA-N 0 0 190.333 2.406 10 30 AEEERN N#CC(=O)c1ccc2c(c1)CCS2 259558265 573697870 /nfs/dbraw/zinc/69/78/70/573697870.db2.gz DWPYWAHDKCMTCQ-UHFFFAOYSA-N 0 0 189.239 2.041 10 30 AEEERN C[C@H]1CCC=C[C@H]1CC=O 238483170 573697946 /nfs/dbraw/zinc/69/79/46/573697946.db2.gz BQBRYTNIZCYYAQ-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C[C@@]1(C)CC=C(CO)CC1 238482537 573697981 /nfs/dbraw/zinc/69/79/81/573697981.db2.gz DQUYEPHTKGXIBE-JTQLQIEISA-N 0 0 152.237 2.281 10 30 AEEERN N#C[C@@H]1CCC[C@@H](c2cccs2)N1 259558317 573697983 /nfs/dbraw/zinc/69/79/83/573697983.db2.gz DXPDIBGRGCMTES-IUCAKERBSA-N 0 0 192.287 2.455 10 30 AEEERN CC1(C)C[C@](Cl)(C#N)C(C)(C)O1 86928394 573698006 /nfs/dbraw/zinc/69/80/06/573698006.db2.gz QJHAQSRBDKFGQI-VIFPVBQESA-N 0 0 187.670 2.465 10 30 AEEERN CC1(C)C[C@]1(C#N)CC12CC(CO1)C2 716109366 573698040 /nfs/dbraw/zinc/69/80/40/573698040.db2.gz TYWRYHAMHLHHTA-CKBZRRDASA-N 0 0 191.274 2.495 10 30 AEEERN C[C@H]1Cc2c(CCC=O)cccc2O1 258088005 573698076 /nfs/dbraw/zinc/69/80/76/573698076.db2.gz NSGGTDWQJWZFQS-VIFPVBQESA-N 0 0 190.242 2.142 10 30 AEEERN O=CCCc1ccc2c(c1)OCS2 258085637 573698086 /nfs/dbraw/zinc/69/80/86/573698086.db2.gz NPEZTQHGTQJYOU-UHFFFAOYSA-N 0 0 194.255 2.260 10 30 AEEERN O[C@@H](CCS)c1cccc(F)c1 259167890 573698096 /nfs/dbraw/zinc/69/80/96/573698096.db2.gz OAFQBTASHRLHEG-VIFPVBQESA-N 0 0 186.251 2.179 10 30 AEEERN C=CC[C@@H]1CC[C@H](C)C[C@@H]1O 238482476 573698185 /nfs/dbraw/zinc/69/81/85/573698185.db2.gz GLIJEFDZMLGRNB-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@H](O)c1sccc1Cl 122103783 573698243 /nfs/dbraw/zinc/69/82/43/573698243.db2.gz KHIFEGZWZJAHSI-LURJTMIESA-N 0 0 172.636 2.068 10 30 AEEERN N#CCc1nsc(C2CCCC2)n1 259618397 573698286 /nfs/dbraw/zinc/69/82/86/573698286.db2.gz HDSNJSXTIBAYBY-UHFFFAOYSA-N 0 0 193.275 2.262 10 30 AEEERN C=C[C@]1(C)Cc2cc(C=O)ccc2O1 238483120 573698292 /nfs/dbraw/zinc/69/82/92/573698292.db2.gz WAVFSOBNYKERCO-GFCCVEGCSA-N 0 0 188.226 2.379 10 30 AEEERN N#C[C@H]1CC[C@H]2CCC(=O)C=C2C1 197476986 573698339 /nfs/dbraw/zinc/69/83/39/573698339.db2.gz CZLJEKKAQHUELE-IUCAKERBSA-N 0 0 175.231 2.216 10 30 AEEERN Cc1ccc([C@@](C)(N)CC#N)cc1F 238482984 573698359 /nfs/dbraw/zinc/69/83/59/573698359.db2.gz PQPINCBVTNKXSL-NSHDSACASA-N 0 0 192.237 2.222 10 30 AEEERN C[C@H]1CC[C@@H](CC=O)C(C)(C)C1=O 238482506 573698377 /nfs/dbraw/zinc/69/83/77/573698377.db2.gz HWXIDZAKCLLTIM-IUCAKERBSA-N 0 0 182.263 2.217 10 30 AEEERN CSCC1=CC(=O)CCC1 197466002 573699181 /nfs/dbraw/zinc/69/91/81/573699181.db2.gz RFBHCUHVLNWURY-UHFFFAOYSA-N 0 0 156.250 2.029 10 30 AEEERN C[Si](C)(C)C[C@H]1C[C@H]1C=O 197469237 573698559 /nfs/dbraw/zinc/69/85/59/573698559.db2.gz UDZXGIWMVOMKTF-JGVFFNPUSA-N 0 0 156.301 2.160 10 30 AEEERN CCO[C@]1(C#N)CC(C)(C)OC1(C)C 86928861 573698575 /nfs/dbraw/zinc/69/85/75/573698575.db2.gz QGIZATKLVNDJPM-NSHDSACASA-N 0 0 197.278 2.263 10 30 AEEERN C[C@H](O)[C@H](C)c1ccccc1C#N 238483335 573698720 /nfs/dbraw/zinc/69/87/20/573698720.db2.gz JFXJFHUPCZRJTN-IUCAKERBSA-N 0 0 175.231 2.043 10 30 AEEERN Cc1ccc(-n2ccc(C#N)n2)c(C)c1 259169387 573698722 /nfs/dbraw/zinc/69/87/22/573698722.db2.gz XYVJDHZLVLKWHF-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C/C=C/C=CCC1=C(C)[C@@H](O)CC1=O 238001112 573698731 /nfs/dbraw/zinc/69/87/31/573698731.db2.gz XETBNYQUUIQGSC-KXGOJYIESA-N 0 0 192.258 2.159 10 30 AEEERN C=CCC1=CCC[C@H](C)C1=O 238482129 573698785 /nfs/dbraw/zinc/69/87/85/573698785.db2.gz ITCBPVWKUWCTGQ-QMMMGPOBSA-N 0 0 150.221 2.488 10 30 AEEERN CC[C@@H]1CCCCC[C@@H](C=O)O1 197460984 573698938 /nfs/dbraw/zinc/69/89/38/573698938.db2.gz TZOKNZUABXPSPT-ZJUUUORDSA-N 0 0 170.252 2.313 10 30 AEEERN C/C=C/C(=O)[C@@H](O)C1CCCCC1 237994907 573698995 /nfs/dbraw/zinc/69/89/95/573698995.db2.gz BSYXEYIEUYIZJY-GSQGTZRGSA-N 0 0 182.263 2.073 10 30 AEEERN Cc1ccc(OC2CC2)cc1C#N 238483327 573699058 /nfs/dbraw/zinc/69/90/58/573699058.db2.gz IWTYBUHNGIPFMG-UHFFFAOYSA-N 0 0 173.215 2.408 10 30 AEEERN Cc1ccncc1-c1cccc(C#N)n1 259558440 573699059 /nfs/dbraw/zinc/69/90/59/573699059.db2.gz DZJWSRATALXFOP-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN N#Cc1cc(-c2cccc(F)c2)on1 259169064 573699079 /nfs/dbraw/zinc/69/90/79/573699079.db2.gz GSYGPMKNLDLAQT-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN C[C@H](O)[C@H](C)c1cc(F)ccc1C#N 238483248 573699155 /nfs/dbraw/zinc/69/91/55/573699155.db2.gz SAPWHRJGBNRMPB-YUMQZZPRSA-N 0 0 193.221 2.182 10 30 AEEERN N#CCCN1CCc2cccc(F)c21 108241988 573706602 /nfs/dbraw/zinc/70/66/02/573706602.db2.gz ZWAIHEDSKOCKFK-UHFFFAOYSA-N 0 0 190.221 2.102 10 30 AEEERN Cc1cccc2c1NCC[C@H](C#N)C2 259617952 573706630 /nfs/dbraw/zinc/70/66/30/573706630.db2.gz GOUZMMTYQCJPMH-JTQLQIEISA-N 0 0 186.258 2.493 10 30 AEEERN SCC1(C2CCCC2)COC1 258888072 573706717 /nfs/dbraw/zinc/70/67/17/573706717.db2.gz TYHVFUYJWPUQJL-UHFFFAOYSA-N 0 0 172.293 2.123 10 30 AEEERN Cc1cc(C#N)c(C(F)F)nc1F 238477518 573706788 /nfs/dbraw/zinc/70/67/88/573706788.db2.gz BIOLRRHYEQUBNX-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C[C@H](O)C#CC1=C[C@H](C)SC[C@@H]1C 238477223 573706791 /nfs/dbraw/zinc/70/67/91/573706791.db2.gz ODLXMHIICBIMDK-GUBZILKMSA-N 0 0 196.315 2.068 10 30 AEEERN C[C@@H]1OCCC[C@@H]1CCC#N 259558725 573706861 /nfs/dbraw/zinc/70/68/61/573706861.db2.gz ICLTVJFDJYUDJC-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN C=C1Cc2c1c(=O)[nH]c1ccccc21 238016909 573706907 /nfs/dbraw/zinc/70/69/07/573706907.db2.gz JYICUHDYLURWPT-UHFFFAOYSA-N 0 0 183.210 2.097 10 30 AEEERN C=C1C[C@]23CCC[C@]12CCC3=O 238016831 573706938 /nfs/dbraw/zinc/70/69/38/573706938.db2.gz IQLBUHPRTGIWGQ-QWRGUYRKSA-N 0 0 162.232 2.466 10 30 AEEERN C/C=C/C[C@@H](O)C#Cc1ccccc1 238017071 573707091 /nfs/dbraw/zinc/70/70/91/573707091.db2.gz CPULKGMHBBLRJF-YWVDXFKGSA-N 0 0 186.254 2.365 10 30 AEEERN CCc1cc(C2(C#N)CCC2)on1 259558488 573707146 /nfs/dbraw/zinc/70/71/46/573707146.db2.gz CFIFQUWPDYGFTE-UHFFFAOYSA-N 0 0 176.219 2.182 10 30 AEEERN C=C1C[C@@]23CCC[C@@]12C(=O)CC3 238014830 573707220 /nfs/dbraw/zinc/70/72/20/573707220.db2.gz QADZIXYMDRYOHX-QWRGUYRKSA-N 0 0 162.232 2.466 10 30 AEEERN CCc1ccccc1OCC[C@H]1CO1 308690116 573707229 /nfs/dbraw/zinc/70/72/29/573707229.db2.gz RDZVFRRLYFWWSP-NSHDSACASA-N 0 0 192.258 2.417 10 30 AEEERN C=C1C[C@H]2C=CC=C[C@@H](C1)C2=O 238015464 573707274 /nfs/dbraw/zinc/70/72/74/573707274.db2.gz FKQZXVRBHPMOSG-AOOOYVTPSA-N 0 0 160.216 2.264 10 30 AEEERN CCc1ccccc1OCC[C@@H]1CO1 308690113 573707275 /nfs/dbraw/zinc/70/72/75/573707275.db2.gz RDZVFRRLYFWWSP-LLVKDONJSA-N 0 0 192.258 2.417 10 30 AEEERN C=C1C[C@H]1C(=O)Cc1ccccc1 238015166 573707280 /nfs/dbraw/zinc/70/72/80/573707280.db2.gz YEZALJNEZLSCMS-LLVKDONJSA-N 0 0 172.227 2.374 10 30 AEEERN C=C1C[C@H](C#N)[C@H]2C(=O)CCC[C@@H]12 238015071 573707287 /nfs/dbraw/zinc/70/72/87/573707287.db2.gz INYTWZPDWGGPJR-WCABBAIRSA-N 0 0 175.231 2.071 10 30 AEEERN CCN(CC)[C@]1(C#N)CS[C@@H](C)C1 86940235 573712052 /nfs/dbraw/zinc/71/20/52/573712052.db2.gz TYJVIKKXKHABNS-VHSXEESVSA-N 0 0 198.335 2.116 10 30 AEEERN CC(C)CN[C@@H](C#N)C1(C)CCC1 686128899 573711423 /nfs/dbraw/zinc/71/14/23/573711423.db2.gz NNZPLWAPMJDUOV-JTQLQIEISA-N 0 0 180.295 2.314 10 30 AEEERN C[C@@H]1C[C@](Cl)(C#N)CS1 86940632 573711576 /nfs/dbraw/zinc/71/15/76/573711576.db2.gz ZUPWISIFEUCLMW-RITPCOANSA-N 0 0 161.657 2.013 10 30 AEEERN CC[C@@H](C#N)NCCOC(C)(C)CC 308692823 573711625 /nfs/dbraw/zinc/71/16/25/573711625.db2.gz MDSZGOBWPMKMPG-JTQLQIEISA-N 0 0 198.310 2.083 10 30 AEEERN C(=N/Cc1ccccn1)\c1ccc[nH]1 238009999 573711692 /nfs/dbraw/zinc/71/16/92/573711692.db2.gz ZPWMKSWYFDFMKN-FMIVXFBMSA-N 0 0 185.230 2.029 10 30 AEEERN C[C@@H]1Cc2cc(C#N)cc(F)c2O1 238492994 573711863 /nfs/dbraw/zinc/71/18/63/573711863.db2.gz NUXUIKOHYJTZLL-ZCFIWIBFSA-N 0 0 177.178 2.021 10 30 AEEERN C=C[C@H](CO)CC/C=C/C 238010912 573711888 /nfs/dbraw/zinc/71/18/88/573711888.db2.gz GBVDFVMSGZJTSI-SGRBOOSSSA-N 0 0 140.226 2.137 10 30 AEEERN CC(C)N[C@@]1(C#N)CCCS[C@@H]1C 86946534 573711923 /nfs/dbraw/zinc/71/19/23/573711923.db2.gz DMEZQWDAXVFCMV-NXEZZACHSA-N 0 0 198.335 2.162 10 30 AEEERN COc1ccc([C@@H]2O[C@@H]2C)c(OC)c1 258890377 573711973 /nfs/dbraw/zinc/71/19/73/573711973.db2.gz UBYUGRXNICTRKB-RDDDGLTNSA-N 0 0 194.230 2.164 10 30 AEEERN Cc1ccc2c(c1)NCC[C@H]2C#N 83963545 573714130 /nfs/dbraw/zinc/71/41/30/573714130.db2.gz FUSQFHPXERSJRS-VIFPVBQESA-N 0 0 172.231 2.418 10 30 AEEERN C[C@H]1SCCC[C@]1(Cl)C#N 86968973 573714217 /nfs/dbraw/zinc/71/42/17/573714217.db2.gz DFNWRWHINHRCKN-RQJHMYQMSA-N 0 0 175.684 2.403 10 30 AEEERN C=CC1([C@H](O)/C=C/C)CCC1 238032642 573714283 /nfs/dbraw/zinc/71/42/83/573714283.db2.gz CNELUTSIEMGRJT-BSPAPZMXSA-N 0 0 152.237 2.280 10 30 AEEERN C[C@@H]1SCCC[C@]1(Cl)C#N 86968975 573714312 /nfs/dbraw/zinc/71/43/12/573714312.db2.gz DFNWRWHINHRCKN-BQBZGAKWSA-N 0 0 175.684 2.403 10 30 AEEERN CC(C)c1cc2c(cc1C#N)OCO2 258096151 573714335 /nfs/dbraw/zinc/71/43/35/573714335.db2.gz OIFSNWLXCKSFQC-UHFFFAOYSA-N 0 0 189.214 2.410 10 30 AEEERN CC[C@H](C#N)NCCOC(C)(C)CC 308692824 573714385 /nfs/dbraw/zinc/71/43/85/573714385.db2.gz MDSZGOBWPMKMPG-SNVBAGLBSA-N 0 0 198.310 2.083 10 30 AEEERN Cc1cc2[nH]c(Cl)nc2cc1C#N 238492262 573714386 /nfs/dbraw/zinc/71/43/86/573714386.db2.gz HBYIBGFKLRIYPB-UHFFFAOYSA-N 0 0 191.621 2.396 10 30 AEEERN COc1cccc(C[C@H](C)C#N)c1 83963739 573714554 /nfs/dbraw/zinc/71/45/54/573714554.db2.gz LNJDKINDOWGCFA-VIFPVBQESA-N 0 0 175.231 2.397 10 30 AEEERN C=C[C@H](O)c1ccoc1Cl 236546789 573714603 /nfs/dbraw/zinc/71/46/03/573714603.db2.gz PXNABHPSJMRTCV-LURJTMIESA-N 0 0 158.584 2.152 10 30 AEEERN C/C=C/[C@@H](O)C1(C#N)CCCCC1 238032597 573714654 /nfs/dbraw/zinc/71/46/54/573714654.db2.gz ADZZERZSWVMEAJ-GCEAOBNSSA-N 0 0 179.263 2.397 10 30 AEEERN C=C(C)[C@H]1C=CC(=O)[C@@H](C)C1 238492241 573715539 /nfs/dbraw/zinc/71/55/39/573715539.db2.gz JEJOXGLYWWNRKT-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@@H](O)c1ccc(Cl)o1 236548189 573714786 /nfs/dbraw/zinc/71/47/86/573714786.db2.gz WEWHBGBPBVUGNJ-RXMQYKEDSA-N 0 0 158.584 2.152 10 30 AEEERN CCO[C@]1(C#N)CCCS[C@H]1C 86969506 573714939 /nfs/dbraw/zinc/71/49/39/573714939.db2.gz JGWFVZSFNBCFGS-IUCAKERBSA-N 0 0 185.292 2.201 10 30 AEEERN Cc1ccc(F)c([C@](C)(N)CC#N)c1 238492618 573714979 /nfs/dbraw/zinc/71/49/79/573714979.db2.gz VZFMSBOYAPQROK-LLVKDONJSA-N 0 0 192.237 2.222 10 30 AEEERN Cc1nc(C(F)F)c(CC#N)cc1O 238492034 573715041 /nfs/dbraw/zinc/71/50/41/573715041.db2.gz RJYAVKFCSMCVGT-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CCc1cccc(C)c1NCC#N 83963700 573715154 /nfs/dbraw/zinc/71/51/54/573715154.db2.gz MBRYMEHGZXCEDK-UHFFFAOYSA-N 0 0 174.247 2.493 10 30 AEEERN COc1ccc([C@@H]2O[C@H]2C)c(OC)c1 258890380 573715156 /nfs/dbraw/zinc/71/51/56/573715156.db2.gz UBYUGRXNICTRKB-WRWORJQWSA-N 0 0 194.230 2.164 10 30 AEEERN CCO[C@]1(C#N)CCCS[C@@H]1C 86969502 573715283 /nfs/dbraw/zinc/71/52/83/573715283.db2.gz JGWFVZSFNBCFGS-BDAKNGLRSA-N 0 0 185.292 2.201 10 30 AEEERN CC#COc1cc(N)c(F)cc1Cl 238038815 573715403 /nfs/dbraw/zinc/71/54/03/573715403.db2.gz XJSVEQYNGQQXGC-UHFFFAOYSA-N 0 0 199.612 2.421 10 30 AEEERN C[C@H]1SCCC[C@@]1(Cl)C#N 86968970 573715489 /nfs/dbraw/zinc/71/54/89/573715489.db2.gz DFNWRWHINHRCKN-RNFRBKRXSA-N 0 0 175.684 2.403 10 30 AEEERN Cc1coc2cccc(CC=O)c12 258109414 573731170 /nfs/dbraw/zinc/73/11/70/573731170.db2.gz OMSWLRPSDJCABE-UHFFFAOYSA-N 0 0 174.199 2.483 10 30 AEEERN N#CCc1cc2c(cc1F)CCC2 258109685 573731219 /nfs/dbraw/zinc/73/12/19/573731219.db2.gz YVOXKOSLIASZCY-UHFFFAOYSA-N 0 0 175.206 2.380 10 30 AEEERN C[C@H]1CC[C@H]2C1C(=O)C(=O)[C@@H]2C 238487372 573731237 /nfs/dbraw/zinc/73/12/37/573731237.db2.gz MNHJOBGBXNDREB-RRKCRQDMSA-N 0 0 166.220 2.063 10 30 AEEERN C[C@H](CC=O)c1ccc2c(c1)COC2 258110761 573731277 /nfs/dbraw/zinc/73/12/77/573731277.db2.gz PNIZGOCPFSNJCD-SECBINFHSA-N 0 0 190.242 2.409 10 30 AEEERN N#Cc1cnn([C@@H]2CCCC[C@H]2F)c1 221398366 573731355 /nfs/dbraw/zinc/73/13/55/573731355.db2.gz MVHIQKOYVRXHJH-NXEZZACHSA-N 0 0 193.225 2.208 10 30 AEEERN CC1C(=O)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 238488202 573731393 /nfs/dbraw/zinc/73/13/93/573731393.db2.gz VWSLBDNWOXTLKF-APQOSEDMSA-N 0 0 166.220 2.063 10 30 AEEERN CCOCc1nc(CCC#N)cs1 393558138 573731448 /nfs/dbraw/zinc/73/14/48/573731448.db2.gz YCLGOLOJMALKDW-UHFFFAOYSA-N 0 0 196.275 2.136 10 30 AEEERN CC1=CC(=O)[C@@H]2CC[C@H](C)[C@@H]12 238488381 573731449 /nfs/dbraw/zinc/73/14/49/573731449.db2.gz PLFVLPNMONSJMO-HKPALBBZSA-N 0 0 150.221 2.178 10 30 AEEERN N#Cc1c(F)ccc2c1OCCC2 258112191 573731451 /nfs/dbraw/zinc/73/14/51/573731451.db2.gz ZCBRFQXTOHHCNF-UHFFFAOYSA-N 0 0 177.178 2.022 10 30 AEEERN Cc1cccc(C(=O)CC#N)c1F 75903690 573731473 /nfs/dbraw/zinc/73/14/73/573731473.db2.gz QZUSGUAJHMLJLB-UHFFFAOYSA-N 0 0 177.178 2.231 10 30 AEEERN COc1ccc(C)c(F)c1CCC=O 258110826 573731570 /nfs/dbraw/zinc/73/15/70/573731570.db2.gz PNZJOQRJDWZILM-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN C=C1[C@@H](C)CC[C@@]1(C)C=O 238489868 573732117 /nfs/dbraw/zinc/73/21/17/573732117.db2.gz NOTVQQFCRGQQIL-CBAPKCEASA-N 0 0 138.210 2.178 10 30 AEEERN C#CCCC[C@]1(C)CCC1=O 238489139 573732139 /nfs/dbraw/zinc/73/21/39/573732139.db2.gz LCCIEYPIYKEBFS-SNVBAGLBSA-N 0 0 150.221 2.159 10 30 AEEERN C[C@@H]1CC[C@@H]([C@H](C)CC=O)CC1=O 144846098 573732201 /nfs/dbraw/zinc/73/22/01/573732201.db2.gz MAIOSSGRIUGCSS-OPRDCNLKSA-N 0 0 182.263 2.217 10 30 AEEERN N#Cc1cnn([C@H]2CCCC[C@H]2F)c1 221398417 573732254 /nfs/dbraw/zinc/73/22/54/573732254.db2.gz MVHIQKOYVRXHJH-ZJUUUORDSA-N 0 0 193.225 2.208 10 30 AEEERN CO[C@](C)(C=O)c1cccc(Cl)c1 257852797 573732292 /nfs/dbraw/zinc/73/22/92/573732292.db2.gz NBDGIRKFPQFJPX-SNVBAGLBSA-N 0 0 198.649 2.401 10 30 AEEERN N#Cc1cnn([C@@H]2CCCC[C@@H]2F)c1 221398256 573732465 /nfs/dbraw/zinc/73/24/65/573732465.db2.gz MVHIQKOYVRXHJH-VHSXEESVSA-N 0 0 193.225 2.208 10 30 AEEERN CN(CS)c1ccc(F)cc1F 258895178 573732505 /nfs/dbraw/zinc/73/25/05/573732505.db2.gz JWMBQAWDOXCJIS-UHFFFAOYSA-N 0 0 189.230 2.288 10 30 AEEERN CN(CS)c1ccc2c(c1)CCC2 258897605 573732563 /nfs/dbraw/zinc/73/25/63/573732563.db2.gz KLEGAZAXRLZFCG-UHFFFAOYSA-N 0 0 193.315 2.499 10 30 AEEERN CC(=O)C1=CCc2cc(F)ccc21 108291245 573738989 /nfs/dbraw/zinc/73/89/89/573738989.db2.gz RTHBPVQTIGNBEN-UHFFFAOYSA-N 0 0 176.190 2.354 10 30 AEEERN C[C@@H](CC=O)c1ccc2n[nH]cc2c1 258113415 573738991 /nfs/dbraw/zinc/73/89/91/573738991.db2.gz PWJXDNOISNBIEU-QMMMGPOBSA-N 0 0 188.230 2.255 10 30 AEEERN CC(C)[C@H]1CCCCCN1CC#N 108293403 573739189 /nfs/dbraw/zinc/73/91/89/573739189.db2.gz KNKFEYDMEJPNIZ-LLVKDONJSA-N 0 0 180.295 2.411 10 30 AEEERN C#C[C@@H](O)C1=C(C(=C)C)CCCC1 238072377 573739240 /nfs/dbraw/zinc/73/92/40/573739240.db2.gz CWCLZYXCLCOPGZ-GFCCVEGCSA-N 0 0 176.259 2.427 10 30 AEEERN C#C[C@H](O)C1=C(C(=C)C)CCC1 238072197 573739258 /nfs/dbraw/zinc/73/92/58/573739258.db2.gz QOKARTDFJSQDIR-NSHDSACASA-N 0 0 162.232 2.037 10 30 AEEERN C=C(C)C1=CCC2(CC2)C1=O 238074455 573739383 /nfs/dbraw/zinc/73/93/83/573739383.db2.gz MERBRBWLFPHBMY-UHFFFAOYSA-N 0 0 148.205 2.242 10 30 AEEERN C/C=C1\C(=O)C[C@H]2[C@@H]1C2(C)C 238074121 573739443 /nfs/dbraw/zinc/73/94/43/573739443.db2.gz AODSCNBENSPTEI-CNEXKXPGSA-N 0 0 150.221 2.178 10 30 AEEERN N#C[C@@H](N)c1ccccc1C1CC1 87015067 573739444 /nfs/dbraw/zinc/73/94/44/573739444.db2.gz GGCQZQAQNCATEZ-LLVKDONJSA-N 0 0 172.231 2.087 10 30 AEEERN Cc1cc(C(F)F)c(CC#N)[nH]c1=O 238502349 573739459 /nfs/dbraw/zinc/73/94/59/573739459.db2.gz LCQGSANKMJIWRU-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C[C@@]1(c2ccc(F)cc2)C[C@@H]1C=O 238500110 573739535 /nfs/dbraw/zinc/73/95/35/573739535.db2.gz CGHHCBQKWMIUBE-KOLCDFICSA-N 0 0 178.206 2.302 10 30 AEEERN C=CC[C@@H](C)[C@H](O)Cc1ccccn1 715007803 573744382 /nfs/dbraw/zinc/74/43/82/573744382.db2.gz YIXYXTBNHVPNET-ZYHUDNBSSA-N 0 0 191.274 2.197 10 30 AEEERN CC(=O)C1=CCCCCC1=O 238061913 573744415 /nfs/dbraw/zinc/74/44/15/573744415.db2.gz JUSZDEDECBRSFS-UHFFFAOYSA-N 0 0 152.193 2.128 10 30 AEEERN Cc1ccsc1C[C@H](C)C=O 87023013 573744437 /nfs/dbraw/zinc/74/44/37/573744437.db2.gz SUFKZAWEWZWSDW-ZETCQYMHSA-N 0 0 168.261 2.434 10 30 AEEERN C=C[C@@H](O)C(=C)C[Si](C)(C)C 223524941 573744479 /nfs/dbraw/zinc/74/44/79/573744479.db2.gz BWGJTMQKKJOWMK-SECBINFHSA-N 0 0 170.328 2.428 10 30 AEEERN C=CC[C@H](C)[C@@H](O)Cc1ccccn1 715007798 573744561 /nfs/dbraw/zinc/74/45/61/573744561.db2.gz YIXYXTBNHVPNET-JQWIXIFHSA-N 0 0 191.274 2.197 10 30 AEEERN Cc1ccc(C([O-])=CC=O)s1 108300076 573744570 /nfs/dbraw/zinc/74/45/70/573744570.db2.gz JLESNQVUTWEXKV-SNAWJCMRSA-N 0 0 168.217 2.311 10 30 AEEERN Cc1ccc(N(C)CC2(C#N)CC2)o1 258900220 573744653 /nfs/dbraw/zinc/74/46/53/573744653.db2.gz KYWKKFXMJCNERY-UHFFFAOYSA-N 0 0 190.246 2.328 10 30 AEEERN CC[C@H]1CCC(O)=C(C=O)C1 108300156 573744758 /nfs/dbraw/zinc/74/47/58/573744758.db2.gz BFWWPYKIIAPMPX-DGUDBNDOSA-N 0 0 154.209 2.208 10 30 AEEERN C[C@]12CC=CC[C@@H]1CC(=O)C(=O)C2 238500969 573744898 /nfs/dbraw/zinc/74/48/98/573744898.db2.gz YFIWQUVIGGKCSV-LDYMZIIASA-N 0 0 178.231 2.374 10 30 AEEERN C=C(C)CC(=O)NCc1ccccc1 238076113 573745017 /nfs/dbraw/zinc/74/50/17/573745017.db2.gz GERLTQGVGWKQAB-UHFFFAOYSA-N 0 0 189.258 2.269 10 30 AEEERN C=C1CC[C@]2(C)C=CC(=O)[C@@H]12 238501995 573745882 /nfs/dbraw/zinc/74/58/82/573745882.db2.gz FHIDQGUNZBDNEL-NXEZZACHSA-N 0 0 148.205 2.098 10 30 AEEERN CCN(c1ccc(C#N)nc1)C(C)C 122444955 573745941 /nfs/dbraw/zinc/74/59/41/573745941.db2.gz DYJIRQZQWQXCCX-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN N#C[C@@H]1C2=CC=CC=C[C@@H]2C[C@H]1CC=O 308703165 573745958 /nfs/dbraw/zinc/74/59/58/573745958.db2.gz IOARMSBMBOKFAF-WZRBSPASSA-N 0 0 199.253 2.404 10 30 AEEERN COc1ccc2c(c1)[C@H](C=O)CS2 258116061 573745987 /nfs/dbraw/zinc/74/59/87/573745987.db2.gz OVMBSRSMKKGVMR-SSDOTTSWSA-N 0 0 194.255 2.083 10 30 AEEERN Cc1cc2c(F)ccc(C#N)c2[nH]1 238501769 573746068 /nfs/dbraw/zinc/74/60/68/573746068.db2.gz ZTNNGPFWBOWXCV-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CC[C@@](O)(CC#N)Cc1ccccc1 98003102 573746149 /nfs/dbraw/zinc/74/61/49/573746149.db2.gz IZCBTUODFJQJRR-GFCCVEGCSA-N 0 0 189.258 2.284 10 30 AEEERN C=C(NC(C)=O)C1CCCCC1 238063702 573747780 /nfs/dbraw/zinc/74/77/80/573747780.db2.gz URAVCFOKYBIFTA-UHFFFAOYSA-N 0 0 167.252 2.217 10 30 AEEERN C[C@@H](C#N)N(C)c1ccc(F)cc1 258901333 573747783 /nfs/dbraw/zinc/74/77/83/573747783.db2.gz XXCINLXFYXKREJ-QMMMGPOBSA-N 0 0 178.210 2.174 10 30 AEEERN C[C@H]1CC(C=O)=C(O)CC(C)(C)C1 238496822 573747878 /nfs/dbraw/zinc/74/78/78/573747878.db2.gz COLVOMNKATYPGO-IUCAKERBSA-N 0 0 182.263 2.217 10 30 AEEERN C/C=C/[C@]1(C)CCC(C=O)=C1O 238066247 573748017 /nfs/dbraw/zinc/74/80/17/573748017.db2.gz YXUFIKAKBJVEFB-DNNNGZCCSA-N 0 0 166.220 2.374 10 30 AEEERN CC(=O)C1=CC(=O)CCCCC1 238062969 573748061 /nfs/dbraw/zinc/74/80/61/573748061.db2.gz ABGFRZRUZOCXJZ-UHFFFAOYSA-N 0 0 166.220 2.035 10 30 AEEERN Cc1cnc(C#N)c(C(F)F)c1C=O 238497030 573748062 /nfs/dbraw/zinc/74/80/62/573748062.db2.gz YPCZEMICUDQHTC-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN N#C[C@@H]1C2=CC=CC=C[C@H]2C[C@H]1CC=O 308703164 573748086 /nfs/dbraw/zinc/74/80/86/573748086.db2.gz IOARMSBMBOKFAF-LOWVWBTDSA-N 0 0 199.253 2.404 10 30 AEEERN C=CCCc1cc(C=O)co1 238064456 573748093 /nfs/dbraw/zinc/74/80/93/573748093.db2.gz ROPCXPNAUBSRAG-UHFFFAOYSA-N 0 0 150.177 2.211 10 30 AEEERN CC(=O)[C@H]1CC[C@@H](C(C)(C)C=O)C1 238076872 573748153 /nfs/dbraw/zinc/74/81/53/573748153.db2.gz XWDFURAVIZPPFE-VHSXEESVSA-N 0 0 182.263 2.217 10 30 AEEERN CCC[C@@H](C#N)[C@H](O)c1cscn1 127024588 573748253 /nfs/dbraw/zinc/74/82/53/573748253.db2.gz GSKKXUXPNIZXTG-CBAPKCEASA-N 0 0 196.275 2.116 10 30 AEEERN Cc1cccc(N(C)CC[C@H]2CO2)c1 308702042 573748255 /nfs/dbraw/zinc/74/82/55/573748255.db2.gz VILUJDPYFOAARL-LBPRGKRZSA-N 0 0 191.274 2.220 10 30 AEEERN C=CC[C@H](C)[C@H](O)Cc1ccccn1 715007791 573748312 /nfs/dbraw/zinc/74/83/12/573748312.db2.gz YIXYXTBNHVPNET-CMPLNLGQSA-N 0 0 191.274 2.197 10 30 AEEERN CCC[C@@H](C#N)[C@@H](O)c1cscn1 127024939 573748438 /nfs/dbraw/zinc/74/84/38/573748438.db2.gz GSKKXUXPNIZXTG-IONNQARKSA-N 0 0 196.275 2.116 10 30 AEEERN C=CCC[C@H]1CCC2=C1C(=O)CO2 238063015 573748442 /nfs/dbraw/zinc/74/84/42/573748442.db2.gz YTXHIVHYTIETDT-QMMMGPOBSA-N 0 0 178.231 2.216 10 30 AEEERN Cc1nc(C(F)F)cc(C=O)c1C#N 238498255 573750762 /nfs/dbraw/zinc/75/07/62/573750762.db2.gz PLKYTGUHHUMQNW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN Cc1cc(C(F)F)c(C#N)cn1 238498252 573751568 /nfs/dbraw/zinc/75/15/68/573751568.db2.gz MJOHIAOOJJMZIZ-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CCOc1ccc(NCC#N)cc1C 258907608 573750894 /nfs/dbraw/zinc/75/08/94/573750894.db2.gz YNLWHNYEDNGMPC-UHFFFAOYSA-N 0 0 190.246 2.329 10 30 AEEERN C=CCN1CNc2ccccc2C1 238067022 573750991 /nfs/dbraw/zinc/75/09/91/573750991.db2.gz ANYJFSALFUMUQE-UHFFFAOYSA-N 0 0 174.247 2.058 10 30 AEEERN CC(=O)C1=CC=C(C)SC1 238063453 573751051 /nfs/dbraw/zinc/75/10/51/573751051.db2.gz OAWSUADGIQGICC-UHFFFAOYSA-N 0 0 154.234 2.152 10 30 AEEERN C#C[C@H](O)c1ccc(SC)cc1 118270621 573751074 /nfs/dbraw/zinc/75/10/74/573751074.db2.gz ZLRULBXVPQOHSJ-JTQLQIEISA-N 0 0 178.256 2.075 10 30 AEEERN C=C[C@H]1Cc2cc(O)c(C)c(C)c2O1 238497914 573751084 /nfs/dbraw/zinc/75/10/84/573751084.db2.gz IVRKPPNQMAMUGP-JTQLQIEISA-N 0 0 190.242 2.499 10 30 AEEERN COc1cccc(C#N)c1SC 214673388 573751247 /nfs/dbraw/zinc/75/12/47/573751247.db2.gz QUBAVKTWEJLFDR-UHFFFAOYSA-N 0 0 179.244 2.289 10 30 AEEERN C=CCC[C@H]1CCCOC1 238063169 573751277 /nfs/dbraw/zinc/75/12/77/573751277.db2.gz XVIWDLTZUNRLLG-VIFPVBQESA-N 0 0 140.226 2.379 10 30 AEEERN CC[C@H](C#N)[C@@H](N)c1ccc(C)o1 259181693 573751288 /nfs/dbraw/zinc/75/12/88/573751288.db2.gz CSXNPIMBUHSNOF-PSASIEDQSA-N 0 0 178.235 2.138 10 30 AEEERN CC[C@H](C#N)CN(C)c1ccccn1 258907497 573751301 /nfs/dbraw/zinc/75/13/01/573751301.db2.gz FNEUHMOKXLSKNT-SNVBAGLBSA-N 0 0 189.262 2.068 10 30 AEEERN Cc1ccccc1N(C)CS 258907118 573751356 /nfs/dbraw/zinc/75/13/56/573751356.db2.gz LNZBSLIDWMRPQF-UHFFFAOYSA-N 0 0 167.277 2.319 10 30 AEEERN C=C[C@@](C)(/C=C/C)[C@@H](C)O 238065691 573751451 /nfs/dbraw/zinc/75/14/51/573751451.db2.gz HGAYISBSCSCBJN-FQDVODHFSA-N 0 0 140.226 2.136 10 30 AEEERN N#CCC1=CC(=O)C(c2ccccc2)N1 259564044 573751472 /nfs/dbraw/zinc/75/14/72/573751472.db2.gz FKSZQBWUQDBYMK-UHFFFAOYSA-N 0 0 198.225 2.453 10 30 AEEERN N#CCNc1c(F)cc(F)cc1F 84056885 573754162 /nfs/dbraw/zinc/75/41/62/573754162.db2.gz DEBKNKPAGNCCON-UHFFFAOYSA-N 0 0 186.136 2.039 10 30 AEEERN Cc1nc(C(F)F)cc(CC#N)c1O 238498823 573754364 /nfs/dbraw/zinc/75/43/64/573754364.db2.gz GZPOMVTVPQFTLV-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C#Cc1cc(C)cnc1C(F)(F)F 238498580 573754410 /nfs/dbraw/zinc/75/44/10/573754410.db2.gz UUJWNWBLJMAATD-UHFFFAOYSA-N 0 0 185.148 2.390 10 30 AEEERN C[C@@]1([C@@H]2C=CCC2)CCC(=O)C1=O 238499084 573754676 /nfs/dbraw/zinc/75/46/76/573754676.db2.gz LNGYPSRUIGKEAE-KCJUWKMLSA-N 0 0 178.231 2.374 10 30 AEEERN Cc1ccc(F)cc1[C@](C)(N)CC#N 238499184 573754708 /nfs/dbraw/zinc/75/47/08/573754708.db2.gz TZKUFMMFIISAIB-LLVKDONJSA-N 0 0 192.237 2.222 10 30 AEEERN Cc1ccc(F)c(C2(C#N)CC2)c1O 238499475 573754960 /nfs/dbraw/zinc/75/49/60/573754960.db2.gz CSENGVOQMVDUJB-UHFFFAOYSA-N 0 0 191.205 2.395 10 30 AEEERN C=C(C)C[C@@H]1CCCNC1=S 238098036 573755840 /nfs/dbraw/zinc/75/58/40/573755840.db2.gz YWHMQOKTIDMEBQ-QMMMGPOBSA-N 0 0 169.293 2.280 10 30 AEEERN C=CC[C@H](CO)CC(=C)C 238093465 573755941 /nfs/dbraw/zinc/75/59/41/573755941.db2.gz PWEILJOOMLHDBA-VIFPVBQESA-N 0 0 140.226 2.137 10 30 AEEERN Cc1cnc(C(F)F)c(C#N)c1 238499490 573755160 /nfs/dbraw/zinc/75/51/60/573755160.db2.gz GKJJJIFONYLYQE-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CC[C@@H](C#N)CN(C)c1cccnc1 258910608 573755403 /nfs/dbraw/zinc/75/54/03/573755403.db2.gz FVJBSXHCDZEEOX-JTQLQIEISA-N 0 0 189.262 2.068 10 30 AEEERN Cc1ccc(Cl)cc1OCC=O 84058961 573755547 /nfs/dbraw/zinc/75/55/47/573755547.db2.gz VMHCVTSPTRZCJB-UHFFFAOYSA-N 0 0 184.622 2.226 10 30 AEEERN C#Cc1ccc(C(C)(C)C#N)cc1 238097890 573755584 /nfs/dbraw/zinc/75/55/84/573755584.db2.gz LLLYFLLZFIMEDX-UHFFFAOYSA-N 0 0 169.227 2.469 10 30 AEEERN Cc1cccc(C#N)c1C(O)=S 238499624 573755751 /nfs/dbraw/zinc/75/57/51/573755751.db2.gz OHZWGTSSPLGEDX-UHFFFAOYSA-N 0 0 177.228 2.100 10 30 AEEERN Cc1cccc(C#CCF)c1 238499415 573755992 /nfs/dbraw/zinc/75/59/92/573755992.db2.gz XNSAXKNRCVENJG-UHFFFAOYSA-N 0 0 148.180 2.316 10 30 AEEERN C=C(C)CC[C@H](O)C(C)(C)F 238085436 573756013 /nfs/dbraw/zinc/75/60/13/573756013.db2.gz QBICZLBDXDQGKN-QMMMGPOBSA-N 0 0 160.232 2.452 10 30 AEEERN C[C@H]1Cc2ccccc2N1CCS 87055957 573756032 /nfs/dbraw/zinc/75/60/32/573756032.db2.gz GIABXBZAWICEBK-VIFPVBQESA-N 0 0 193.315 2.367 10 30 AEEERN C=C(C)CC1(C(N)=O)CCCCC1 238077677 573756085 /nfs/dbraw/zinc/75/60/85/573756085.db2.gz HSJIDBIEPXUXDT-UHFFFAOYSA-N 0 0 181.279 2.388 10 30 AEEERN COc1ccc(F)cc1NCS 258917700 573756151 /nfs/dbraw/zinc/75/61/51/573756151.db2.gz NEQUJADSSVVZNX-UHFFFAOYSA-N 0 0 187.239 2.134 10 30 AEEERN C=CC/C(=N/O)c1ccc(O)cc1 143428506 573756162 /nfs/dbraw/zinc/75/61/62/573756162.db2.gz POPAQXZIGXCKTD-KHPPLWFESA-N 0 0 177.203 2.147 10 30 AEEERN Cc1cc(C(F)F)c(C#N)nc1F 238498451 573756226 /nfs/dbraw/zinc/75/62/26/573756226.db2.gz OSIOIMHIQDGSRE-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN Cc1cccc(C#CCC#N)c1 238499341 573756315 /nfs/dbraw/zinc/75/63/15/573756315.db2.gz AGNMWRFNLYPKPN-UHFFFAOYSA-N 0 0 155.200 2.260 10 30 AEEERN C=CC[C@]1(C=O)C[C@H]2C=C[C@@H]1C2 238098143 573756320 /nfs/dbraw/zinc/75/63/20/573756320.db2.gz UKSJIDSKNSPUIT-HBNTYKKESA-N 0 0 162.232 2.344 10 30 AEEERN CO[C@](C)(CC=O)c1ccccc1C 257868128 573756518 /nfs/dbraw/zinc/75/65/18/573756518.db2.gz SLTJPYSHKZQPOT-GFCCVEGCSA-N 0 0 192.258 2.446 10 30 AEEERN N#CCNCc1ccc2ccccc2c1 258909434 573756522 /nfs/dbraw/zinc/75/65/22/573756522.db2.gz YSVAGWJXSVOABD-UHFFFAOYSA-N 0 0 196.253 2.453 10 30 AEEERN C=CC[C@@H]1C(=C)CC(=O)CCC1=O 238085768 573756570 /nfs/dbraw/zinc/75/65/70/573756570.db2.gz NZRGIYNVCLOASC-SNVBAGLBSA-N 0 0 178.231 2.057 10 30 AEEERN C=C1C[C@H]2C(=O)CCC[C@]12C 238506217 573756759 /nfs/dbraw/zinc/75/67/59/573756759.db2.gz BZWBGKPTOHTERZ-WCBMZHEXSA-N 0 0 150.221 2.322 10 30 AEEERN CC(C)(C#N)c1ccc(C#N)c(F)c1 238097973 573757545 /nfs/dbraw/zinc/75/75/45/573757545.db2.gz XOWLPGHULFKEDH-UHFFFAOYSA-N 0 0 188.205 2.499 10 30 AEEERN CC1CCC(C(=O)CC#N)CC1 122518926 573756871 /nfs/dbraw/zinc/75/68/71/573756871.db2.gz UEPFNNUBAZQZNB-UHFFFAOYSA-N 0 0 165.236 2.295 10 30 AEEERN N#CC1([C@@H]2CCCSC2)CC1 259564880 573756991 /nfs/dbraw/zinc/75/69/91/573756991.db2.gz CPUNTXULTVAOSX-MRVPVSSYSA-N 0 0 167.277 2.433 10 30 AEEERN CN(CS)c1ccc2ncoc2c1 258910374 573757151 /nfs/dbraw/zinc/75/71/51/573757151.db2.gz MCMHCTXGOWIMAP-UHFFFAOYSA-N 0 0 194.259 2.151 10 30 AEEERN C[C@]12CCC=CC1=CC(=O)C2 238505206 573757175 /nfs/dbraw/zinc/75/71/75/573757175.db2.gz RNRXOKREJYSPRG-SNVBAGLBSA-N 0 0 148.205 2.242 10 30 AEEERN C=CC[C@H]1OC(=O)N[C@@H]1C(C)(C)C 238098107 573757232 /nfs/dbraw/zinc/75/72/32/573757232.db2.gz MTZLCVGJWYMTDA-SFYZADRCSA-N 0 0 183.251 2.086 10 30 AEEERN CC(=O)[C@H]1CC[C@@](C)(C=O)C1(C)C 238077663 573757369 /nfs/dbraw/zinc/75/73/69/573757369.db2.gz HLZPJZAPIVKGTB-KOLCDFICSA-N 0 0 182.263 2.217 10 30 AEEERN N#Cc1ccc(Nc2ccc[nH]2)c(N)c1 258915613 573757497 /nfs/dbraw/zinc/75/74/97/573757497.db2.gz ZJMKUQJYSOOOGB-UHFFFAOYSA-N 0 0 198.229 2.212 10 30 AEEERN CC[C@H](C)OC/C=C/CS 87080776 573767972 /nfs/dbraw/zinc/76/79/72/573767972.db2.gz DEBRQSIXMGFYIV-ZJELKQJVSA-N 0 0 160.282 2.288 10 30 AEEERN C[C@@]1(C=O)CCCCCS1 258422341 573768014 /nfs/dbraw/zinc/76/80/14/573768014.db2.gz CCHAFFPHBVGMGG-QMMMGPOBSA-N 0 0 158.266 2.251 10 30 AEEERN C[C@]12CCCC[C@@H]1CCC(C=O)=C2O 238509346 573768065 /nfs/dbraw/zinc/76/80/65/573768065.db2.gz ZNZIFQLYONLIOD-UMNHJUIQSA-N 0 0 194.274 2.361 10 30 AEEERN Cc1nccn1CC(C)(C)CS 87091221 573768068 /nfs/dbraw/zinc/76/80/68/573768068.db2.gz VAPWEMXJCUMJML-UHFFFAOYSA-N 0 0 184.308 2.148 10 30 AEEERN CC[C@H](C)OCCCS 87080734 573768113 /nfs/dbraw/zinc/76/81/13/573768113.db2.gz OPNMYTMYNRLGEC-ZETCQYMHSA-N 0 0 148.271 2.121 10 30 AEEERN CC(C)(C#N)[C@@H]1C=CC(=O)CC1 238091636 573768115 /nfs/dbraw/zinc/76/81/15/573768115.db2.gz SQTSXWLFCYTHNS-MRVPVSSYSA-N 0 0 163.220 2.071 10 30 AEEERN C=CC[C@H]1C(=C)CCCC1=O 238093711 573768159 /nfs/dbraw/zinc/76/81/59/573768159.db2.gz XMEVRCNICKXQHP-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN Cc1ccc(N(C)CC=O)c(C)c1C 258929323 573768175 /nfs/dbraw/zinc/76/81/75/573768175.db2.gz RLHLYCMMOYIFEH-UHFFFAOYSA-N 0 0 191.274 2.247 10 30 AEEERN CC(C)(C#N)c1c(F)cc(N)cc1F 238092372 573768195 /nfs/dbraw/zinc/76/81/95/573768195.db2.gz IYODKUFIJKVHNT-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN C/C=C/COCCCCS 87080798 573768223 /nfs/dbraw/zinc/76/82/23/573768223.db2.gz BNTUSCARWLISFE-NSCUHMNNSA-N 0 0 160.282 2.289 10 30 AEEERN SC/C=C/COC1CCC1 87080858 573768233 /nfs/dbraw/zinc/76/82/33/573768233.db2.gz OGZMRSVZZJAAJD-OWOJBTEDSA-N 0 0 158.266 2.042 10 30 AEEERN C[C@H](CS)COC1CCC1 87080834 573768274 /nfs/dbraw/zinc/76/82/74/573768274.db2.gz XVYBBETVOZOQEY-ZETCQYMHSA-N 0 0 160.282 2.121 10 30 AEEERN N#CCC[C@@]1(C=O)CCC=C1Cl 238508805 573768390 /nfs/dbraw/zinc/76/83/90/573768390.db2.gz MFYGFMIOYJSYLE-SECBINFHSA-N 0 0 183.638 2.392 10 30 AEEERN C=CCCOCCCCS 87077889 573768477 /nfs/dbraw/zinc/76/84/77/573768477.db2.gz FLNJREVSDOFCES-UHFFFAOYSA-N 0 0 160.282 2.289 10 30 AEEERN CC[C@H](C)OC[C@H](C)CS 87080730 573768501 /nfs/dbraw/zinc/76/85/01/573768501.db2.gz GNNWBSZGBXMVNP-YUMQZZPRSA-N 0 0 162.298 2.367 10 30 AEEERN C=CCN(C)c1ccccc1[C@H](C)O 131149777 573768536 /nfs/dbraw/zinc/76/85/36/573768536.db2.gz MZJDOXXGKWPQQR-JTQLQIEISA-N 0 0 191.274 2.362 10 30 AEEERN CC(C)[C@@H](C#N)CNc1ccc[nH]1 258927400 573768603 /nfs/dbraw/zinc/76/86/03/573768603.db2.gz HLMJZEYSHIZBKT-VIFPVBQESA-N 0 0 177.251 2.222 10 30 AEEERN Cc1nc2ccccc2n1CCS 87091929 573768698 /nfs/dbraw/zinc/76/86/98/573768698.db2.gz QXHSWNWFBNIQLO-UHFFFAOYSA-N 0 0 192.287 2.275 10 30 AEEERN CC(C)(C#N)c1cc(F)c(N)cc1F 238096322 573770033 /nfs/dbraw/zinc/77/00/33/573770033.db2.gz FLQGERUPNYDKSJ-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN C#CC(C)(C)Oc1ccc(N)cc1 238096350 573769301 /nfs/dbraw/zinc/76/93/01/573769301.db2.gz HEHZEIYXHWWACY-UHFFFAOYSA-N 0 0 175.231 2.059 10 30 AEEERN Cc1ccc([C@@H](O)C#CC2CC2)cc1 238508674 573769303 /nfs/dbraw/zinc/76/93/03/573769303.db2.gz PESGIGPNYDPUGO-ZDUSSCGKSA-N 0 0 186.254 2.442 10 30 AEEERN C=C(C)C[C@@H](O)c1ccc(O)cc1O 238096679 573769309 /nfs/dbraw/zinc/76/93/09/573769309.db2.gz NESBRESUFMTPQW-SNVBAGLBSA-N 0 0 194.230 2.097 10 30 AEEERN Cc1ccc2c(c1)O[C@@H](C#N)[C@@H](C)O2 238509821 573769321 /nfs/dbraw/zinc/76/93/21/573769321.db2.gz NOJGJNRVMAFHDM-KCJUWKMLSA-N 0 0 189.214 2.047 10 30 AEEERN CCOC[C@@H](CS)C(C)C 87079135 573769353 /nfs/dbraw/zinc/76/93/53/573769353.db2.gz IDIMVRUDIGKLTD-QMMMGPOBSA-N 0 0 162.298 2.225 10 30 AEEERN CCC(C)(C)OCCS 87080027 573769408 /nfs/dbraw/zinc/76/94/08/573769408.db2.gz VDWWMCNBRBWBQA-UHFFFAOYSA-N 0 0 148.271 2.121 10 30 AEEERN C=CCN(C)c1ccc([C@@H](C)O)cc1 131150877 573769424 /nfs/dbraw/zinc/76/94/24/573769424.db2.gz HKZRJMWYSDCXRX-SNVBAGLBSA-N 0 0 191.274 2.362 10 30 AEEERN CCOC[C@H](CS)C(C)C 87079136 573769486 /nfs/dbraw/zinc/76/94/86/573769486.db2.gz IDIMVRUDIGKLTD-MRVPVSSYSA-N 0 0 162.298 2.225 10 30 AEEERN CC[C@@H](C)OC[C@@H](C)CS 87080727 573769538 /nfs/dbraw/zinc/76/95/38/573769538.db2.gz GNNWBSZGBXMVNP-HTQZYQBOSA-N 0 0 162.298 2.367 10 30 AEEERN CCC[C@H]1C[C@]1(C)C#N 258932724 573769559 /nfs/dbraw/zinc/76/95/59/573769559.db2.gz AYSQPMDVZDMZPZ-JGVFFNPUSA-N 0 0 123.199 2.336 10 30 AEEERN C#CC(C)(C)Oc1cccc(O)c1 238096604 573769574 /nfs/dbraw/zinc/76/95/74/573769574.db2.gz QZFXSBVWFNOKEA-UHFFFAOYSA-N 0 0 176.215 2.183 10 30 AEEERN CO[C@@H](C)Cc1ccccc1CC#N 259565481 573769669 /nfs/dbraw/zinc/76/96/69/573769669.db2.gz VUTSXTRINTWXAH-JTQLQIEISA-N 0 0 189.258 2.330 10 30 AEEERN Cc1cc(C)n(C[C@H](C)CS)n1 87091198 573769677 /nfs/dbraw/zinc/76/96/77/573769677.db2.gz KPUYHYSDRLCBAB-ZETCQYMHSA-N 0 0 184.308 2.066 10 30 AEEERN C=CCOC[C@H](CC)CS 87078938 573769700 /nfs/dbraw/zinc/76/97/00/573769700.db2.gz FIVSESLLVNVWSX-QMMMGPOBSA-N 0 0 160.282 2.145 10 30 AEEERN SCCCCOCC1CC1 87080233 573769717 /nfs/dbraw/zinc/76/97/17/573769717.db2.gz QVJMNMWMTALRGN-UHFFFAOYSA-N 0 0 160.282 2.123 10 30 AEEERN CCC[C@@H](CS)Cn1cccn1 87090917 573769747 /nfs/dbraw/zinc/76/97/47/573769747.db2.gz LFAORWWSXCRFTN-SECBINFHSA-N 0 0 184.308 2.229 10 30 AEEERN C=C(C)C[C@@H](O)c1cc(O)ccc1O 238096567 573769758 /nfs/dbraw/zinc/76/97/58/573769758.db2.gz QXSFTXZCENCUMA-LLVKDONJSA-N 0 0 194.230 2.097 10 30 AEEERN C[C@H](CS)COC(C)(C)C 87079924 573769766 /nfs/dbraw/zinc/76/97/66/573769766.db2.gz SDSMDIXTSGZIPT-ZETCQYMHSA-N 0 0 162.298 2.367 10 30 AEEERN C=CC[C@H]1[C@H]2C=C[C@@H]1[C@@H](C=O)C2 238096066 573769772 /nfs/dbraw/zinc/76/97/72/573769772.db2.gz WLMMWWDXINWHCX-ZRUFSTJUSA-N 0 0 162.232 2.200 10 30 AEEERN CCC[C@@H]1C[C@]1(C)C#N 258932723 573769775 /nfs/dbraw/zinc/76/97/75/573769775.db2.gz AYSQPMDVZDMZPZ-HTQZYQBOSA-N 0 0 123.199 2.336 10 30 AEEERN CCOCCCCCS 87079125 573769803 /nfs/dbraw/zinc/76/98/03/573769803.db2.gz VDDDFOBDKMOTMC-UHFFFAOYSA-N 0 0 148.271 2.123 10 30 AEEERN C#Cc1cc(Cl)c(Cl)cn1 238510175 573769817 /nfs/dbraw/zinc/76/98/17/573769817.db2.gz YYNBYHNBABJYEW-UHFFFAOYSA-N 0 0 172.014 2.370 10 30 AEEERN O=C1C=CCCC=C1Cl 238508659 573769837 /nfs/dbraw/zinc/76/98/37/573769837.db2.gz HZATYLOZFSBLKE-UHFFFAOYSA-N 0 0 142.585 2.028 10 30 AEEERN CO[C@H](C)Cc1ccccc1CC#N 259565483 573769872 /nfs/dbraw/zinc/76/98/72/573769872.db2.gz VUTSXTRINTWXAH-SNVBAGLBSA-N 0 0 189.258 2.330 10 30 AEEERN COc1cccc2c1[C@@H](C=O)CS2 258124803 573769900 /nfs/dbraw/zinc/76/99/00/573769900.db2.gz PJSGODRFITVOMT-ZETCQYMHSA-N 0 0 194.255 2.083 10 30 AEEERN SCCCCOC1CCC1 87080836 573769913 /nfs/dbraw/zinc/76/99/13/573769913.db2.gz GPJMUAUXHWDMRP-UHFFFAOYSA-N 0 0 160.282 2.266 10 30 AEEERN Cc1cnc(C(F)F)cc1C#N 238509374 573769927 /nfs/dbraw/zinc/76/99/27/573769927.db2.gz GABJURBSYJIZFT-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN Cc1cc2ccc(C#N)c(F)c2[nH]1 238509256 573769954 /nfs/dbraw/zinc/76/99/54/573769954.db2.gz KMXOHRWIFCSYTN-UHFFFAOYSA-N 0 0 174.178 2.487 10 30 AEEERN CC(C)(C#N)c1cc(F)cc(F)c1N 238096669 573769964 /nfs/dbraw/zinc/76/99/64/573769964.db2.gz ABWFJNGRUGTHSP-UHFFFAOYSA-N 0 0 196.200 2.348 10 30 AEEERN Cc1cc(C(F)F)c(=O)[nH]c1CC#N 238510042 573770009 /nfs/dbraw/zinc/77/00/09/573770009.db2.gz MQYSFHCZSLLIFS-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=CCCOC[C@@H](C)CS 87077888 573770017 /nfs/dbraw/zinc/77/00/17/573770017.db2.gz ANMGDUWRFULEQK-MRVPVSSYSA-N 0 0 160.282 2.145 10 30 AEEERN C[C@@H](C#N)c1cccc2ocnc12 259568363 573773282 /nfs/dbraw/zinc/77/32/82/573773282.db2.gz CZYXPNZZTXPCRB-ZETCQYMHSA-N 0 0 172.187 2.455 10 30 AEEERN SCCSc1ccccn1 87097372 573773336 /nfs/dbraw/zinc/77/33/36/573773336.db2.gz ZZVZWXAZTYXUHE-UHFFFAOYSA-N 0 0 171.290 2.104 10 30 AEEERN C[C@]12CCCC[C@H]1CCC(C=O)=C2O 238511253 573773340 /nfs/dbraw/zinc/77/33/40/573773340.db2.gz ZNZIFQLYONLIOD-NHCYSSNCSA-N 0 0 194.274 2.361 10 30 AEEERN CCCSCCOCCS 87097122 573773351 /nfs/dbraw/zinc/77/33/51/573773351.db2.gz TZGACEJJIQDHDX-UHFFFAOYSA-N 0 0 180.338 2.076 10 30 AEEERN CC[C@@H](C#N)c1ncc2ccccn12 259567377 573773366 /nfs/dbraw/zinc/77/33/66/573773366.db2.gz SQUVFKKMRYOWPI-VIFPVBQESA-N 0 0 185.230 2.351 10 30 AEEERN CC[C@H](C#N)c1ncc2ccccn12 259567375 573773385 /nfs/dbraw/zinc/77/33/85/573773385.db2.gz SQUVFKKMRYOWPI-SECBINFHSA-N 0 0 185.230 2.351 10 30 AEEERN C[C@@H](CS)Cn1cc(Cl)cn1 87093638 573773432 /nfs/dbraw/zinc/77/34/32/573773432.db2.gz HWBJPSOVJWISDG-ZCFIWIBFSA-N 0 0 190.699 2.102 10 30 AEEERN C#CCN[C@@H](CC)c1ncc(C)s1 308436049 573773596 /nfs/dbraw/zinc/77/35/96/573773596.db2.gz WLFJZXBNKRRWDH-VIFPVBQESA-N 0 0 194.303 2.125 10 30 AEEERN C[C@H](C#N)c1cccc2ocnc12 259568360 573773597 /nfs/dbraw/zinc/77/35/97/573773597.db2.gz CZYXPNZZTXPCRB-SSDOTTSWSA-N 0 0 172.187 2.455 10 30 AEEERN C=C[C@@H](CO)Nc1c(C)cccc1C 238510440 573773687 /nfs/dbraw/zinc/77/36/87/573773687.db2.gz WXBLBHDJVJZMLX-NSHDSACASA-N 0 0 191.274 2.262 10 30 AEEERN COCCCSCCCS 87098303 573773688 /nfs/dbraw/zinc/77/36/88/573773688.db2.gz ILMPZJQXZJPEHN-UHFFFAOYSA-N 0 0 180.338 2.076 10 30 AEEERN C=C(C)C[C@@]1(C)CC(=O)C=CC1=O 238099943 573773794 /nfs/dbraw/zinc/77/37/94/573773794.db2.gz QXOAMOXDNDGOQP-NSHDSACASA-N 0 0 178.231 2.057 10 30 AEEERN CC[C@@H](CS)CSC 87098430 573773797 /nfs/dbraw/zinc/77/37/97/573773797.db2.gz OECBRSLOMKHIBV-LURJTMIESA-N 0 0 150.312 2.305 10 30 AEEERN CSCC(C)(C)CS 87098385 573773913 /nfs/dbraw/zinc/77/39/13/573773913.db2.gz ZCEONSZXYQLJQK-UHFFFAOYSA-N 0 0 150.312 2.305 10 30 AEEERN C=CCc1cc(C=O)c(Cl)cn1 238510723 573773925 /nfs/dbraw/zinc/77/39/25/573773925.db2.gz PYOJTYUYDFKUBL-UHFFFAOYSA-N 0 0 181.622 2.276 10 30 AEEERN C=CCN(C)C(=O)c1occc1Cl 308436182 573773946 /nfs/dbraw/zinc/77/39/46/573773946.db2.gz WOYPPPZNIBUODS-UHFFFAOYSA-N 0 0 199.637 2.191 10 30 AEEERN CCCCSCCOCCS 87097601 573773984 /nfs/dbraw/zinc/77/39/84/573773984.db2.gz UIJJQMQMJXISAE-UHFFFAOYSA-N 0 0 194.365 2.466 10 30 AEEERN CCSC[C@H](C)CS 87097214 573774001 /nfs/dbraw/zinc/77/40/01/573774001.db2.gz IPVXPYYYCNJRPT-ZCFIWIBFSA-N 0 0 150.312 2.305 10 30 AEEERN C=CCc1cncc(Cl)c1 238511792 573774973 /nfs/dbraw/zinc/77/49/73/573774973.db2.gz SCABGOZLFNCVPG-UHFFFAOYSA-N 0 0 153.612 2.464 10 30 AEEERN C=C(C)C[C@H](O)C#C[Si](C)(C)C 238101859 573775041 /nfs/dbraw/zinc/77/50/41/573775041.db2.gz YDUVPIOBVALSCK-SNVBAGLBSA-N 0 0 182.339 2.194 10 30 AEEERN C=CCc1ccnc2c1CCCO2 238099745 573775070 /nfs/dbraw/zinc/77/50/70/573775070.db2.gz FYQLNTGFFGDFHM-UHFFFAOYSA-N 0 0 175.231 2.135 10 30 AEEERN C=C[C@@H](CC)OC(=O)c1ccoc1 308436138 573775079 /nfs/dbraw/zinc/77/50/79/573775079.db2.gz WNWPMUTXVPXOOX-VIFPVBQESA-N 0 0 180.203 2.401 10 30 AEEERN Cc1nn(CCCS)cc1Cl 87095052 573775083 /nfs/dbraw/zinc/77/50/83/573775083.db2.gz OMFAGUFKIBQXLX-UHFFFAOYSA-N 0 0 190.699 2.165 10 30 AEEERN Cc1cc(C)n2c(CC#N)cnc2c1 238511630 573775096 /nfs/dbraw/zinc/77/50/96/573775096.db2.gz PZEOBIVBEKQWKY-UHFFFAOYSA-N 0 0 185.230 2.017 10 30 AEEERN CC[C@H](CS)CSC 87098432 573775125 /nfs/dbraw/zinc/77/51/25/573775125.db2.gz OECBRSLOMKHIBV-ZCFIWIBFSA-N 0 0 150.312 2.305 10 30 AEEERN CC(=O)[C@]1(C)CCC(C)(C)[C@H]1C=O 238100295 573775152 /nfs/dbraw/zinc/77/51/52/573775152.db2.gz RSYDURYKFRWTHU-KOLCDFICSA-N 0 0 182.263 2.217 10 30 AEEERN SCCCCn1cc(Cl)cn1 87093620 573775181 /nfs/dbraw/zinc/77/51/81/573775181.db2.gz RERRPCGNMDSQDC-UHFFFAOYSA-N 0 0 190.699 2.247 10 30 AEEERN O=CCCc1cc2c(cc1F)CCC2 258126423 573775192 /nfs/dbraw/zinc/77/51/92/573775192.db2.gz RAFNYYWESRJIIH-UHFFFAOYSA-N 0 0 192.233 2.446 10 30 AEEERN Cc1cc(C(F)F)cc(CC#N)n1 238511367 573775273 /nfs/dbraw/zinc/77/52/73/573775273.db2.gz VOXKSJPPEVLEKL-UHFFFAOYSA-N 0 0 182.173 2.394 10 30 AEEERN Cc1csc(SCCS)n1 87097522 573775280 /nfs/dbraw/zinc/77/52/80/573775280.db2.gz TWQXKTQLXVCXAP-UHFFFAOYSA-N 0 0 191.346 2.473 10 30 AEEERN C=C1C=CC[C@@](C)(C(C)=O)C1 238100146 573775282 /nfs/dbraw/zinc/77/52/82/573775282.db2.gz XSKUVVSPMXQPIB-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCc1cccc2c1CCN2 238099412 573775298 /nfs/dbraw/zinc/77/52/98/573775298.db2.gz RXDPAGPFBMRHKA-UHFFFAOYSA-N 0 0 159.232 2.383 10 30 AEEERN C/C=C\C(=O)c1cncc(OCC)c1 308435770 573775306 /nfs/dbraw/zinc/77/53/06/573775306.db2.gz NSENXMXBZBXJEI-HYXAFXHYSA-N 0 0 191.230 2.239 10 30 AEEERN Cc1cc(C(F)F)cc(C#N)n1 238511167 573775310 /nfs/dbraw/zinc/77/53/10/573775310.db2.gz WBDFPOXIFICTOJ-UHFFFAOYSA-N 0 0 168.146 2.199 10 30 AEEERN CSCC1(CS)CCOCC1 87098382 573775435 /nfs/dbraw/zinc/77/54/35/573775435.db2.gz JXSNQLXNBJCSAT-UHFFFAOYSA-N 0 0 192.349 2.076 10 30 AEEERN C=CCc1ccc2c(c1)CCN2 238100372 573775504 /nfs/dbraw/zinc/77/55/04/573775504.db2.gz RFZMKGHQKUZRCH-UHFFFAOYSA-N 0 0 159.232 2.383 10 30 AEEERN Cc1cc2c(cc1[C@@H](C)C=O)OCO2 257875291 573775535 /nfs/dbraw/zinc/77/55/35/573775535.db2.gz UJOJMQBONQCQKC-QMMMGPOBSA-N 0 0 192.214 2.026 10 30 AEEERN Cc1nn(C/C=C/CS)c(C)c1C 87093736 573775540 /nfs/dbraw/zinc/77/55/40/573775540.db2.gz XTOYGPKXEUJKBB-SNAWJCMRSA-N 0 0 196.319 2.294 10 30 AEEERN Cn1ccc2cccc(CCC=O)c21 258126358 573775577 /nfs/dbraw/zinc/77/55/77/573775577.db2.gz QXQJHQFUAFGCEX-UHFFFAOYSA-N 0 0 187.242 2.310 10 30 AEEERN Cc1ccnn1CC(C)(C)CS 87094851 573775590 /nfs/dbraw/zinc/77/55/90/573775590.db2.gz FGXUFJZMRPUZNV-UHFFFAOYSA-N 0 0 184.308 2.148 10 30 AEEERN CN(C(=O)C(C)(C)C)C(C)(C)CC#N 259567616 573775597 /nfs/dbraw/zinc/77/55/97/573775597.db2.gz CXXFRAGRJNMNTD-UHFFFAOYSA-N 0 0 196.294 2.183 10 30 AEEERN C=C[C@]1(C(C)=O)C=CCCC1 238102230 573775631 /nfs/dbraw/zinc/77/56/31/573775631.db2.gz UUCJWUUKXILXIG-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN C[C@H]1Oc2ccccc2[C@H]1C#N 238510842 573775668 /nfs/dbraw/zinc/77/56/68/573775668.db2.gz IJQNCOAPXCXZJN-APPZFPTMSA-N 0 0 159.188 2.075 10 30 AEEERN CCCC(C)N=Nc1nccn1C 308436399 573775686 /nfs/dbraw/zinc/77/56/86/573775686.db2.gz WUNFKISVECJMCA-UHFFFAOYSA-N 0 0 180.255 2.008 10 30 AEEERN Cc1ncn(CC(C)(C)CS)c1C 87092779 573775694 /nfs/dbraw/zinc/77/56/94/573775694.db2.gz PNMCJKSJMKCQIS-UHFFFAOYSA-N 0 0 198.335 2.456 10 30 AEEERN Cc1ccc([C@]2(C)C[C@H]2C#N)o1 258936073 573775714 /nfs/dbraw/zinc/77/57/14/573775714.db2.gz BOYRGHFYKGTVOR-WCBMZHEXSA-N 0 0 161.204 2.389 10 30 AEEERN Cc1cnn(CC(C)(C)CS)c1 87092633 573774972 /nfs/dbraw/zinc/77/49/72/573774972.db2.gz YQDYMITVYACUAC-UHFFFAOYSA-N 0 0 184.308 2.148 10 30 AEEERN C=C[C@@H]1C[C@]1(C=O)c1ccccc1 238110767 573781961 /nfs/dbraw/zinc/78/19/61/573781961.db2.gz URKFWBZVHVSUJR-ZYHUDNBSSA-N 0 0 172.227 2.329 10 30 AEEERN CC[C@@H](C#N)NCC12CCC(CC1)C2 308739952 573782067 /nfs/dbraw/zinc/78/20/67/573782067.db2.gz NYLZBBRPFMATCZ-CXQJBGSLSA-N 0 0 192.306 2.458 10 30 AEEERN C[C@H]1OC2(CCCCC2)O[C@H]1CC=O 238502838 573782144 /nfs/dbraw/zinc/78/21/44/573782144.db2.gz IFKUPGKEONPTJW-ZJUUUORDSA-N 0 0 198.262 2.040 10 30 AEEERN Cc1nc(C=O)c(C#N)cc1C(F)F 238513760 573782150 /nfs/dbraw/zinc/78/21/50/573782150.db2.gz APEUODFULCVKBP-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C=CC[C@H](C)[C@H](O)COC(C)(C)C 715011510 573782230 /nfs/dbraw/zinc/78/22/30/573782230.db2.gz UIKXCCJXKFEEKF-VHSXEESVSA-N 0 0 186.295 2.375 10 30 AEEERN COc1cccc2c1[C@H](C=O)CCC2 108372322 573782231 /nfs/dbraw/zinc/78/22/31/573782231.db2.gz YXLNDGKLNOVVOD-JTQLQIEISA-N 0 0 190.242 2.314 10 30 AEEERN CC(C)(CO)CC#Cc1ccccc1 238111784 573782361 /nfs/dbraw/zinc/78/23/61/573782361.db2.gz YAHSZIBNKACXDF-UHFFFAOYSA-N 0 0 188.270 2.447 10 30 AEEERN CC=CC(=O)[C@@H]1CCc2cccnc21 308431956 573782399 /nfs/dbraw/zinc/78/23/99/573782399.db2.gz FJUVCVJHONIZAC-GQPNGRKGSA-N 0 0 187.242 2.257 10 30 AEEERN N#CCCSc1ccncc1 87110262 573782420 /nfs/dbraw/zinc/78/24/20/573782420.db2.gz DKINCGVFJMENQB-UHFFFAOYSA-N 0 0 164.233 2.087 10 30 AEEERN C[C@H]1OC2(CCCCC2)O[C@@H]1CC=O 238502790 573782434 /nfs/dbraw/zinc/78/24/34/573782434.db2.gz IFKUPGKEONPTJW-NXEZZACHSA-N 0 0 198.262 2.040 10 30 AEEERN C=CC[C@H](C)[C@@H](O)COC(C)(C)C 715011509 573782468 /nfs/dbraw/zinc/78/24/68/573782468.db2.gz UIKXCCJXKFEEKF-UWVGGRQHSA-N 0 0 186.295 2.375 10 30 AEEERN N#Cc1ccc(-c2nc(C=O)co2)cc1 308740564 573782476 /nfs/dbraw/zinc/78/24/76/573782476.db2.gz ZZNCFWGAMKNUMN-UHFFFAOYSA-N 0 0 198.181 2.026 10 30 AEEERN N#C[C@H]1CC[C@H](c2ccccc2)NC1 258938120 573782522 /nfs/dbraw/zinc/78/25/22/573782522.db2.gz WUTKBZSECAVNPY-ZYHUDNBSSA-N 0 0 186.258 2.251 10 30 AEEERN CC(C)(C#N)Nc1ccccc1C#N 258939935 573782576 /nfs/dbraw/zinc/78/25/76/573782576.db2.gz KOYBSAKDQRQNOX-UHFFFAOYSA-N 0 0 185.230 2.272 10 30 AEEERN C#CCC[C@H](NN)C(C)(C)C(C)(C)C 308740833 573782637 /nfs/dbraw/zinc/78/26/37/573782637.db2.gz OQTLJHQZUWIVRZ-JTQLQIEISA-N 0 0 196.338 2.304 10 30 AEEERN C=C[C@@H]1C[C@@H]1C1=CC(=O)CCC1 238109414 573783869 /nfs/dbraw/zinc/78/38/69/573783869.db2.gz UCYPWSYSMRULKS-KCJUWKMLSA-N 0 0 162.232 2.488 10 30 AEEERN C=C[C@@H]1CC(=O)C[C@@]2(C=CCC2)O1 238112727 573784470 /nfs/dbraw/zinc/78/44/70/573784470.db2.gz BXFBRJQTJMUSFB-MNOVXSKESA-N 0 0 178.231 2.009 10 30 AEEERN C=C[C@@H]1C[C@H]1C(=O)C1CCC1 238110217 573784515 /nfs/dbraw/zinc/78/45/15/573784515.db2.gz HBPUYAPGQLHOCT-VXNVDRBHSA-N 0 0 150.221 2.178 10 30 AEEERN C#C[C@H](CC)OC(=O)C(CC)CC 308437376 573784534 /nfs/dbraw/zinc/78/45/34/573784534.db2.gz XHAJUQDMPSKCNQ-SNVBAGLBSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C(=C)C)C(=O)C1=CCCC1 238110497 573784137 /nfs/dbraw/zinc/78/41/37/573784137.db2.gz SJUNCJDOFLHWQL-LLVKDONJSA-N 0 0 174.243 2.491 10 30 AEEERN CC=CC(=O)C(C)=C(C)C 238110471 573784147 /nfs/dbraw/zinc/78/41/47/573784147.db2.gz DTYZPPWLLJVXTH-UHFFFAOYSA-N 0 0 138.210 2.488 10 30 AEEERN C=C[C@@H]1CC(=O)C[C@]2(C=CCC2)O1 238112670 573784203 /nfs/dbraw/zinc/78/42/03/573784203.db2.gz BXFBRJQTJMUSFB-GHMZBOCLSA-N 0 0 178.231 2.009 10 30 AEEERN C=C(C)Oc1cccc(C=O)c1 238110033 573784232 /nfs/dbraw/zinc/78/42/32/573784232.db2.gz FTNPVPDUEQOYTA-UHFFFAOYSA-N 0 0 162.188 2.412 10 30 AEEERN C=C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1 238109325 573784276 /nfs/dbraw/zinc/78/42/76/573784276.db2.gz IBTXYQWPWFCSIU-KOLCDFICSA-N 0 0 187.242 2.447 10 30 AEEERN N#Cc1nc(C2CCCCC2)c[nH]1 259187095 573784281 /nfs/dbraw/zinc/78/42/81/573784281.db2.gz WOGOFIPEZOYZPN-UHFFFAOYSA-N 0 0 175.235 2.329 10 30 AEEERN C=C[C@@H]1CC[C@@H]2C=CC(=O)[C@@H]2C1 238113616 573787135 /nfs/dbraw/zinc/78/71/35/573787135.db2.gz WVLDCHPKQMFVBA-OPRDCNLKSA-N 0 0 162.232 2.344 10 30 AEEERN O=C1C=C(Cl)[C@H]2CC=CC[C@H]12 238517878 573787174 /nfs/dbraw/zinc/78/71/74/573787174.db2.gz MEZWVUKYJBACKZ-BQBZGAKWSA-N 0 0 168.623 2.274 10 30 AEEERN C=C1[C@@H](C)[C@H]1C(=O)C(C)(C)C 238518347 573787293 /nfs/dbraw/zinc/78/72/93/573787293.db2.gz FYLPPYRORLBXDA-SFYZADRCSA-N 0 0 152.237 2.424 10 30 AEEERN N#CCc1cc2cccnc2s1 259568488 573787394 /nfs/dbraw/zinc/78/73/94/573787394.db2.gz DBTOCYHPISPIQW-UHFFFAOYSA-N 0 0 174.228 2.362 10 30 AEEERN CC(=O)OC1(/C(C)=N\O)CCCCC1 108471744 573787396 /nfs/dbraw/zinc/78/73/96/573787396.db2.gz IGSFTJIZUJMDFA-FLIBITNWSA-N 0 0 199.250 2.103 10 30 AEEERN Cc1c(C(F)F)ncc(C=O)c1C#N 238518214 573787458 /nfs/dbraw/zinc/78/74/58/573787458.db2.gz YHUKMPTZHRULGW-UHFFFAOYSA-N 0 0 196.156 2.012 10 30 AEEERN C/C=C(\Br)C(=O)CC 100267422 573787529 /nfs/dbraw/zinc/78/75/29/573787529.db2.gz CLMCVDJPNABWMJ-HYXAFXHYSA-N 0 0 177.041 2.264 10 30 AEEERN C=CC[C@H](C)[C@]1(CO)CCCCO1 715012038 573787534 /nfs/dbraw/zinc/78/75/34/573787534.db2.gz WZDSYPLVYRPLJO-WDEREUQCSA-N 0 0 184.279 2.130 10 30 AEEERN C[C@@H]1C(=O)CCC(C)(C)[C@@H]1C#N 238518135 573787598 /nfs/dbraw/zinc/78/75/98/573787598.db2.gz GMQUTXBXNRCEDH-JGVFFNPUSA-N 0 0 165.236 2.151 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@]1(C)C[C@H]1F 715010736 573787626 /nfs/dbraw/zinc/78/76/26/573787626.db2.gz PVHLSVBCBGABPX-QCLAVDOMSA-N 0 0 172.243 2.308 10 30 AEEERN N#CC1CCC(c2cc[nH]n2)CC1 259570453 573787630 /nfs/dbraw/zinc/78/76/30/573787630.db2.gz DFKUBDIJIVAUPU-UHFFFAOYSA-N 0 0 175.235 2.207 10 30 AEEERN CC(C)[C@H]1C=C/C(=N\O)CC1 100264843 573787760 /nfs/dbraw/zinc/78/77/60/573787760.db2.gz ZEZLEDVCUGBUFB-VPOJCXOPSA-N 0 0 153.225 2.439 10 30 AEEERN CC1=C[C@@H]2CCCC[C@@H]2C1=O 100274310 573787781 /nfs/dbraw/zinc/78/77/81/573787781.db2.gz DPMILSDXZZINDD-IUCAKERBSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(C)[C@@H](O)C1=CCCC1 238115005 573787784 /nfs/dbraw/zinc/78/77/84/573787784.db2.gz HJRWHBQKTVETGE-SECBINFHSA-N 0 0 138.210 2.034 10 30 AEEERN C=C[C@@H]1C[C@@H]2C=CC(=O)[C@@]23CC[C@@H]13 238114662 573787846 /nfs/dbraw/zinc/78/78/46/573787846.db2.gz GWGPZHXSBSIQEB-WDCWCFNPSA-N 0 0 174.243 2.344 10 30 AEEERN C=C1CCC(=C(C)C)C[C@H]1O 238120014 573794286 /nfs/dbraw/zinc/79/42/86/573794286.db2.gz DKQIVRSQASTTIZ-SNVBAGLBSA-N 0 0 152.237 2.424 10 30 AEEERN CC(C)=C(C)C(=O)C(F)(F)F 100294392 573794303 /nfs/dbraw/zinc/79/43/03/573794303.db2.gz WGHQHIURTBNCSN-UHFFFAOYSA-N 0 0 166.142 2.474 10 30 AEEERN C=C(c1ccccc1)C(C)(C)C(N)=O 238104304 573794336 /nfs/dbraw/zinc/79/43/36/573794336.db2.gz FWYSIFCYXPZNBH-UHFFFAOYSA-N 0 0 189.258 2.211 10 30 AEEERN Cc1cc(C)c(C[C@H](N)C#N)cc1C 258949062 573794395 /nfs/dbraw/zinc/79/43/95/573794395.db2.gz AWVOERPGHHTWEC-LBPRGKRZSA-N 0 0 188.274 2.005 10 30 AEEERN CC(C)(C)Nc1ncc(C#N)s1 258945067 573794454 /nfs/dbraw/zinc/79/44/54/573794454.db2.gz LCXRCVQVRMPMGJ-UHFFFAOYSA-N 0 0 181.264 2.225 10 30 AEEERN C=C[C@]1(C)C=Cc2oncc2C1 118394198 573794498 /nfs/dbraw/zinc/79/44/98/573794498.db2.gz FUAFCVZUVACWPG-SNVBAGLBSA-N 0 0 161.204 2.436 10 30 AEEERN C=C(C)C[C@H](O)c1ccc(O)cc1O 238102791 573794542 /nfs/dbraw/zinc/79/45/42/573794542.db2.gz NESBRESUFMTPQW-JTQLQIEISA-N 0 0 194.230 2.097 10 30 AEEERN CN(C)/C=N/C(=S)c1cccs1 108498204 573794572 /nfs/dbraw/zinc/79/45/72/573794572.db2.gz SWIZYYGZYPBGCL-RMKNXTFCSA-N 0 0 198.316 2.014 10 30 AEEERN Cc1c(C#N)ccc2[nH]c(Cl)nc12 238520603 573794592 /nfs/dbraw/zinc/79/45/92/573794592.db2.gz OOPNXWNOIXEERJ-UHFFFAOYSA-N 0 0 191.621 2.396 10 30 AEEERN C=C(C)C[C@H]1C=CNC(Cl)=N1 238103130 573794663 /nfs/dbraw/zinc/79/46/63/573794663.db2.gz VATNZCQLWJYNAN-SSDOTTSWSA-N 0 0 170.643 2.033 10 30 AEEERN CN(CCCC#N)c1cccs1 258946232 573794788 /nfs/dbraw/zinc/79/47/88/573794788.db2.gz QVLAISBZEFDULI-UHFFFAOYSA-N 0 0 180.276 2.488 10 30 AEEERN CC/C=C/C(=O)OCCCCC#N 308440841 573794809 /nfs/dbraw/zinc/79/48/09/573794809.db2.gz YWRDHXYQRAUWIE-XVNBXDOJSA-N 0 0 181.235 2.190 10 30 AEEERN Cc1cc(C)c(C[C@@H](N)C#N)cc1C 258949059 573794861 /nfs/dbraw/zinc/79/48/61/573794861.db2.gz AWVOERPGHHTWEC-GFCCVEGCSA-N 0 0 188.274 2.005 10 30 AEEERN CC#CCCC(=O)[C@H](OC)C(C)(C)C 132205987 573795020 /nfs/dbraw/zinc/79/50/20/573795020.db2.gz WPLTZTIIHHLLSC-NSHDSACASA-N 0 0 196.290 2.420 10 30 AEEERN C[C@@H](F)[C@H](C#N)C1CCC1 258426189 573795156 /nfs/dbraw/zinc/79/51/56/573795156.db2.gz CKMKJWDWAQKURC-SVRRBLITSA-N 0 0 141.189 2.284 10 30 AEEERN N#Cc1cc2ccc(N)c(C#N)c2s1 306717979 573795236 /nfs/dbraw/zinc/79/52/36/573795236.db2.gz HAOZVEDDCPGWES-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN C=C(C)C[C@@H]1C=CNC(=S)C1 238103362 573795334 /nfs/dbraw/zinc/79/53/34/573795334.db2.gz PQZGFWCKMXPACC-QMMMGPOBSA-N 0 0 167.277 2.403 10 30 AEEERN CCC/C=C1\CC(OC)=CC1=O 143478418 573795450 /nfs/dbraw/zinc/79/54/50/573795450.db2.gz JTTPQBAJIFRWAM-VMPITWQZSA-N 0 0 166.220 2.216 10 30 AEEERN C#Cc1ccc(C)nc1Br 238540228 573795487 /nfs/dbraw/zinc/79/54/87/573795487.db2.gz JUXQOBZYLPQVLE-UHFFFAOYSA-N 0 0 196.047 2.134 10 30 AEEERN CC1=CCC(=C(C)C)C1=O 238119561 573795613 /nfs/dbraw/zinc/79/56/13/573795613.db2.gz OYIYTCJRILXSAP-UHFFFAOYSA-N 0 0 136.194 2.242 10 30 AEEERN N#Cc1cc(C(F)F)cc2[nH]cnc12 306719624 573795620 /nfs/dbraw/zinc/79/56/20/573795620.db2.gz LJRBKKDWPJANDU-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN C=CCCCNC(=O)C[C@@H]1C[C@H]1C 393562899 573795629 /nfs/dbraw/zinc/79/56/29/573795629.db2.gz BSTMEQPIDKGNLM-ZJUUUORDSA-N 0 0 181.279 2.115 10 30 AEEERN C[Si](C)(C)C/C=C/C#CCCO 238520112 573795637 /nfs/dbraw/zinc/79/56/37/573795637.db2.gz YCBJVOKEJZRKLC-SOFGYWHQSA-N 0 0 182.339 2.267 10 30 AEEERN CCC(=NOC)[C@@H](O)c1ccccc1 308442011 573795720 /nfs/dbraw/zinc/79/57/20/573795720.db2.gz GCTCACFCOICPCS-NSHDSACASA-N 0 0 193.246 2.132 10 30 AEEERN CC(=O)[C@]1(C=O)C[C@@H]2C=C[C@@]1(C)CC2 238102528 573795746 /nfs/dbraw/zinc/79/57/46/573795746.db2.gz XDXAYFUXGWBTTI-GRYCIOLGSA-N 0 0 192.258 2.137 10 30 AEEERN N#Cc1c(F)ccnc1C(F)(F)F 306711336 573795782 /nfs/dbraw/zinc/79/57/82/573795782.db2.gz XMHPRMWGROVOAW-UHFFFAOYSA-N 0 0 190.099 2.111 10 30 AEEERN C=C[C@@]1(C)C=Cc2oncc2C1 118394201 573796083 /nfs/dbraw/zinc/79/60/83/573796083.db2.gz FUAFCVZUVACWPG-JTQLQIEISA-N 0 0 161.204 2.436 10 30 AEEERN CC(C)Oc1cccc(/C=N/O)c1 108590995 573796140 /nfs/dbraw/zinc/79/61/40/573796140.db2.gz GVJSBBNNKNANQX-YRNVUSSQSA-N 0 0 179.219 2.282 10 30 AEEERN CC(C)(c1ccccc1)[C@@H]1CO1 238103962 573796146 /nfs/dbraw/zinc/79/61/46/573796146.db2.gz SQUZZGIPHODFMG-JTQLQIEISA-N 0 0 162.232 2.363 10 30 AEEERN C=C[C@H](CN=[N+]=[N-])N=[N+]=[N-] 238119675 573796169 /nfs/dbraw/zinc/79/61/69/573796169.db2.gz KWWLGPQEKMUXJB-SCSAIBSYSA-N 0 0 138.134 2.162 10 30 AEEERN CC(=O)/C(C)=C\c1cncn1C1CC1 308441815 573796192 /nfs/dbraw/zinc/79/61/92/573796192.db2.gz JTADVUVAHNAIQQ-YVMONPNESA-N 0 0 190.246 2.210 10 30 AEEERN N#CCCc1csc(Cl)n1 238516434 573804452 /nfs/dbraw/zinc/80/44/52/573804452.db2.gz WJEVOBVZOMBMMG-UHFFFAOYSA-N 0 0 172.640 2.253 10 30 AEEERN C=C[C@H](O)CC(C)(C)C=C 238127818 573804488 /nfs/dbraw/zinc/80/44/88/573804488.db2.gz ROLSICMVRONGKV-QMMMGPOBSA-N 0 0 140.226 2.136 10 30 AEEERN C#CCCOC(=O)c1sccc1C 393563957 573804534 /nfs/dbraw/zinc/80/45/34/573804534.db2.gz GCGIBVKIIYPBLX-UHFFFAOYSA-N 0 0 194.255 2.237 10 30 AEEERN C=C1[C@H](CC(C)=O)C12CCC2 238127479 573803813 /nfs/dbraw/zinc/80/38/13/573803813.db2.gz LUPONGMIUYEHLE-VIFPVBQESA-N 0 0 150.221 2.322 10 30 AEEERN C=C(CCC(C)C)[C@@H](C)O 238135348 573803967 /nfs/dbraw/zinc/80/39/67/573803967.db2.gz BVUNQXAIDZXQBS-SECBINFHSA-N 0 0 142.242 2.360 10 30 AEEERN CC[C@@H](C#N)c1csc(C)n1 259194062 573804044 /nfs/dbraw/zinc/80/40/44/573804044.db2.gz GWWLBHQJNYYMOA-ZETCQYMHSA-N 0 0 166.249 2.469 10 30 AEEERN Cn1nc(CCC#N)c2ccccc21 84243076 573804080 /nfs/dbraw/zinc/80/40/80/573804080.db2.gz RISXVFHLUILUDT-UHFFFAOYSA-N 0 0 185.230 2.029 10 30 AEEERN C=C(C)[C@@H]1O[C@H]1/C=C/Br 238130339 573804139 /nfs/dbraw/zinc/80/41/39/573804139.db2.gz ZEOSKUHOFQPEKP-FWDZIHJBSA-N 0 0 189.052 2.239 10 30 AEEERN CC#CCC(=O)[C@H](OCC)C(C)(C)C 132246422 573804157 /nfs/dbraw/zinc/80/41/57/573804157.db2.gz GTQLVDQZNWJSFW-NSHDSACASA-N 0 0 196.290 2.420 10 30 AEEERN O=CCc1cc2cccc(O)c2s1 258131557 573804238 /nfs/dbraw/zinc/80/42/38/573804238.db2.gz KHBMSFXGRUMISP-UHFFFAOYSA-N 0 0 192.239 2.348 10 30 AEEERN C=CCc1nc(Cl)c2[nH]ccc2n1 238516377 573804261 /nfs/dbraw/zinc/80/42/61/573804261.db2.gz ITHCJXOMHSUGKP-UHFFFAOYSA-N 0 0 193.637 2.340 10 30 AEEERN CC(C)=C1CCC2(CC2)C1=O 238128368 573804287 /nfs/dbraw/zinc/80/42/87/573804287.db2.gz OTBQNCCXAZKICX-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN COc1c(F)cc(C)c(C#N)c1OC 258131456 573804420 /nfs/dbraw/zinc/80/44/20/573804420.db2.gz ROGSPWNNQSEFOF-UHFFFAOYSA-N 0 0 195.193 2.023 10 30 AEEERN C=CC[C@@H](O)/C(C)=C\c1ccncc1 308439395 573804427 /nfs/dbraw/zinc/80/44/27/573804427.db2.gz BCLLPJJCUNJLMB-ZWLSGLHFSA-N 0 0 189.258 2.422 10 30 AEEERN O=CC/C=C\C[C@H]1CCCS1 258134677 573805291 /nfs/dbraw/zinc/80/52/91/573805291.db2.gz JGFGSIRNZPRZQD-IYABHPQVSA-N 0 0 170.277 2.417 10 30 AEEERN C=C1CCC[C@@H]1CC(C)=O 238128794 573804570 /nfs/dbraw/zinc/80/45/70/573804570.db2.gz GTVAOMJXHFTNCD-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN Cc1ccc(C#C[C@H](O)C2CC2)cc1 238528281 573804626 /nfs/dbraw/zinc/80/46/26/573804626.db2.gz DVDDXXCGKGSGHM-ZDUSSCGKSA-N 0 0 186.254 2.117 10 30 AEEERN N#Cc1ccnc(Nc2ccccn2)c1 259570609 573804656 /nfs/dbraw/zinc/80/46/56/573804656.db2.gz AMYFZABRILFRCD-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN SCc1nc(Cl)n2ccccc12 258135039 573804772 /nfs/dbraw/zinc/80/47/72/573804772.db2.gz GOLCXUIMKWGKFQ-UHFFFAOYSA-N 0 0 198.678 2.418 10 30 AEEERN C=C(CC(=O)OC)Cc1ccccc1 258132244 573804777 /nfs/dbraw/zinc/80/47/77/573804777.db2.gz JASLOVYZYGRYBJ-UHFFFAOYSA-N 0 0 190.242 2.348 10 30 AEEERN CCn1nc(CS)c2ccccc21 84242840 573804790 /nfs/dbraw/zinc/80/47/90/573804790.db2.gz XFTVGXFIJUVIHE-UHFFFAOYSA-N 0 0 192.287 2.486 10 30 AEEERN C=C(CCO)SC(C)(C)C 238124328 573804856 /nfs/dbraw/zinc/80/48/56/573804856.db2.gz AXVRCIVSOKAGND-UHFFFAOYSA-N 0 0 160.282 2.414 10 30 AEEERN C=C1CC[C@H](CC(C)=O)[C@]1(C)C=O 238128475 573804898 /nfs/dbraw/zinc/80/48/98/573804898.db2.gz KQWJTJAZXNXHPL-GHMZBOCLSA-N 0 0 180.247 2.137 10 30 AEEERN C[C@@]12CCC[C@]1(C)CC(=O)[C@@H]2C#N 238516038 573804906 /nfs/dbraw/zinc/80/49/06/573804906.db2.gz SWBYTWJCTZQZDP-GDPRMGEGSA-N 0 0 177.247 2.295 10 30 AEEERN C[Si](C)(C)C#C[C@H](O)c1ccoc1 238516292 573805003 /nfs/dbraw/zinc/80/50/03/573805003.db2.gz WCXKOVKWSXVXNS-JTQLQIEISA-N 0 0 194.306 2.194 10 30 AEEERN C=C1[C@@H](O)CCC(C)(C)[C@H]1CC(C)=O 238127566 573805020 /nfs/dbraw/zinc/80/50/20/573805020.db2.gz CVKAGLGIEIEMFK-QWRGUYRKSA-N 0 0 196.290 2.319 10 30 AEEERN Nc1ccc2c(CS)coc2c1 258134599 573805021 /nfs/dbraw/zinc/80/50/21/573805021.db2.gz VJMULLHADJXZDM-UHFFFAOYSA-N 0 0 179.244 2.445 10 30 AEEERN C=C[C@@H]1CC=C[C@@H]1CC(C)=O 238127817 573805081 /nfs/dbraw/zinc/80/50/81/573805081.db2.gz MNQSAXWNQZYCQU-NXEZZACHSA-N 0 0 150.221 2.344 10 30 AEEERN C=CCC[C@@]1(C=O)C[C@@H]1C 238516092 573805141 /nfs/dbraw/zinc/80/51/41/573805141.db2.gz ITQWILBZWWWXGT-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN N#Cc1cc(F)c(N2CCC2)c(F)c1 306180802 573805160 /nfs/dbraw/zinc/80/51/60/573805160.db2.gz MBBWOGMALFDFQG-UHFFFAOYSA-N 0 0 194.184 2.047 10 30 AEEERN CN(C)c1ccc2ncc(C#N)cc2c1 257879423 573806813 /nfs/dbraw/zinc/80/68/13/573806813.db2.gz VGJMDLVGERQWHB-UHFFFAOYSA-N 0 0 197.241 2.172 10 30 AEEERN C=C[C@@H]1C(=C)C[C@@H]2C(=O)CC[C@@H]12 238128396 573806828 /nfs/dbraw/zinc/80/68/28/573806828.db2.gz UTTVVBCDPREMQP-UTLUCORTSA-N 0 0 162.232 2.344 10 30 AEEERN C[C@H]1[C@@H](C#N)CCN1c1ccccc1 259196552 573806952 /nfs/dbraw/zinc/80/69/52/573806952.db2.gz IOGDXMBLFYMNCR-WDEREUQCSA-N 0 0 186.258 2.425 10 30 AEEERN COCCCCC1=CC(=O)CC1 131287528 573807141 /nfs/dbraw/zinc/80/71/41/573807141.db2.gz LAMSGDDONDPYLQ-UHFFFAOYSA-N 0 0 168.236 2.092 10 30 AEEERN COCCCCC1=CC(=O)CCC1 131287056 573807201 /nfs/dbraw/zinc/80/72/01/573807201.db2.gz AOVQFAFNBYHLQN-UHFFFAOYSA-N 0 0 182.263 2.483 10 30 AEEERN C[C@H]1[C@H](C#N)CCN1c1ccccc1 259196549 573807503 /nfs/dbraw/zinc/80/75/03/573807503.db2.gz IOGDXMBLFYMNCR-QWRGUYRKSA-N 0 0 186.258 2.425 10 30 AEEERN COCCCCC[C@H](C)C=O 131285179 573807542 /nfs/dbraw/zinc/80/75/42/573807542.db2.gz PFZFLNBYAOJIJC-VIFPVBQESA-N 0 0 158.241 2.028 10 30 AEEERN C#Cc1nccc(C)c1Cl 209744395 573808349 /nfs/dbraw/zinc/80/83/49/573808349.db2.gz CBSDUIHUNJBXPA-UHFFFAOYSA-N 0 0 151.596 2.025 10 30 AEEERN Cc1cc2c(cc1C#N)OCCCO2 258138650 573808356 /nfs/dbraw/zinc/80/83/56/573808356.db2.gz SFQKDLSWKKJBPO-UHFFFAOYSA-N 0 0 189.214 2.028 10 30 AEEERN C=C(C)[C@H]1C=C(CCO)CC1 238122446 573807612 /nfs/dbraw/zinc/80/76/12/573807612.db2.gz AHJYWTRNRMDJLA-SNVBAGLBSA-N 0 0 152.237 2.281 10 30 AEEERN COc1c(F)cc(CF)cc1C#N 258138729 573807732 /nfs/dbraw/zinc/80/77/32/573807732.db2.gz SHSGOOYJBXFDAV-UHFFFAOYSA-N 0 0 183.157 2.175 10 30 AEEERN Cc1ccc(NC(=O)C(C)(C)C#N)o1 258955656 573807734 /nfs/dbraw/zinc/80/77/34/573807734.db2.gz NPBJAOBPZVSKGK-UHFFFAOYSA-N 0 0 192.218 2.076 10 30 AEEERN COc1ccc(C)cc1[C@@H]1O[C@H]1C 258955161 573807765 /nfs/dbraw/zinc/80/77/65/573807765.db2.gz ZFFWDNNRQWZJNL-GZMMTYOYSA-N 0 0 178.231 2.463 10 30 AEEERN COc1ccc(C)cc1[C@H]1O[C@@H]1C 258955164 573808047 /nfs/dbraw/zinc/80/80/47/573808047.db2.gz ZFFWDNNRQWZJNL-KCJUWKMLSA-N 0 0 178.231 2.463 10 30 AEEERN C=C(C)[C@@H]1CCC(=O)[C@@](C)(C=O)C1 238121483 573808055 /nfs/dbraw/zinc/80/80/55/573808055.db2.gz DBBKIVIJRKCHQR-MWLCHTKSSA-N 0 0 180.247 2.137 10 30 AEEERN COc1c(F)cc(C)cc1CCC=O 258136263 573808066 /nfs/dbraw/zinc/80/80/66/573808066.db2.gz SBFWFWPUSKQJSS-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN Cc1cccc(N(C)C)c1CC#N 259571655 573808112 /nfs/dbraw/zinc/80/81/12/573808112.db2.gz WKTXVZQJLFSDCF-UHFFFAOYSA-N 0 0 174.247 2.127 10 30 AEEERN N#Cc1c(F)ccc2sncc12 238528781 573808143 /nfs/dbraw/zinc/80/81/43/573808143.db2.gz VDNVAOKYDQOBKD-UHFFFAOYSA-N 0 0 178.191 2.307 10 30 AEEERN C=C[C@H]1C[C@@H]1C1=CC(=O)CCC1 238122752 573810916 /nfs/dbraw/zinc/81/09/16/573810916.db2.gz UCYPWSYSMRULKS-KWQFWETISA-N 0 0 162.232 2.488 10 30 AEEERN C=C(C)[C@@H]1C[C@@](C)(C=O)C[C@@]1(C)C=O 238128839 573810945 /nfs/dbraw/zinc/81/09/45/573810945.db2.gz ZKUDJRCHXZNRRP-TUAOUCFPSA-N 0 0 194.274 2.383 10 30 AEEERN C=C[C@@H]1CC(=O)C[C@@H](C=C)C1 238123301 573810996 /nfs/dbraw/zinc/81/09/96/573810996.db2.gz ZAPMFXBEMINWBJ-IUCAKERBSA-N 0 0 150.221 2.344 10 30 AEEERN C=C[C@H]1C[C@@H]1C(=O)C1CCC1 238122592 573810275 /nfs/dbraw/zinc/81/02/75/573810275.db2.gz HBPUYAPGQLHOCT-CBAPKCEASA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@H]1C[C@]1(C=O)c1ccccc1 238123997 573810435 /nfs/dbraw/zinc/81/04/35/573810435.db2.gz URKFWBZVHVSUJR-CMPLNLGQSA-N 0 0 172.227 2.329 10 30 AEEERN C=C(C)[C@H]1CC=C(CC(N)=O)CC1 238122313 573810466 /nfs/dbraw/zinc/81/04/66/573810466.db2.gz WEIUCKCAISDJGS-JTQLQIEISA-N 0 0 179.263 2.164 10 30 AEEERN Cc1cccc([S@](=O)[C@@H](C)C#N)c1 84266702 573810599 /nfs/dbraw/zinc/81/05/99/573810599.db2.gz UDOHORPQLMWVAE-ZANVPECISA-N 0 0 193.271 2.015 10 30 AEEERN Cc1ccc(/C=C/C#CCO)cc1 238528839 573810765 /nfs/dbraw/zinc/81/07/65/573810765.db2.gz RBRDTADGJUXEQK-HWKANZROSA-N 0 0 172.227 2.004 10 30 AEEERN C#C[C@H]1CC(=O)CC[C@H]1C(=C)C 238121065 573810776 /nfs/dbraw/zinc/81/07/76/573810776.db2.gz ZLFDNYZPTNLWFH-ONGXEEELSA-N 0 0 162.232 2.181 10 30 AEEERN C#CC[C@H]1C(=O)CCC[C@@H]1C=C 238121124 573810787 /nfs/dbraw/zinc/81/07/87/573810787.db2.gz OFYYKXTXNDQDIL-VHSXEESVSA-N 0 0 162.232 2.181 10 30 AEEERN C=C(C)[C@H]1CC=C(/C(N)=N/O)CC1 238121818 573810848 /nfs/dbraw/zinc/81/08/48/573810848.db2.gz GILMNONDDNYHMM-QMMMGPOBSA-N 0 0 180.251 2.035 10 30 AEEERN Cc1cc(F)c(C#N)nc1C(F)F 238522130 573813851 /nfs/dbraw/zinc/81/38/51/573813851.db2.gz SYRRFTAPUFJTEC-UHFFFAOYSA-N 0 0 186.136 2.338 10 30 AEEERN C=CC[C@@](F)(C=O)C(=C)C 238133530 573813938 /nfs/dbraw/zinc/81/39/38/573813938.db2.gz OERAEBPSFCKOFR-MRVPVSSYSA-N 0 0 142.173 2.046 10 30 AEEERN C=C(C)[C@H]1C(=O)N[C@@H]1c1ccccc1 238132582 573813947 /nfs/dbraw/zinc/81/39/47/573813947.db2.gz HOBCACXTPFYKNA-GHMZBOCLSA-N 0 0 187.242 2.050 10 30 AEEERN Cc1nc2cc(NCS)ccc2o1 258961336 573814051 /nfs/dbraw/zinc/81/40/51/573814051.db2.gz SVNQZRVWOQQWJK-UHFFFAOYSA-N 0 0 194.259 2.435 10 30 AEEERN Cc1ccc(C(=O)[C@H]2CO2)c(C)c1C 259198027 573814092 /nfs/dbraw/zinc/81/40/92/573814092.db2.gz NDIMJIIPDHWUDX-LLVKDONJSA-N 0 0 190.242 2.193 10 30 AEEERN CCCN[C@H](C#N)C(CC)CC 41049686 573814110 /nfs/dbraw/zinc/81/41/10/573814110.db2.gz FAKSRDXEDUUMQG-SNVBAGLBSA-N 0 0 168.284 2.314 10 30 AEEERN Cc1cc(O)c([C@@H](C)CC=O)cc1O 258140820 573814123 /nfs/dbraw/zinc/81/41/23/573814123.db2.gz SIRKJSFQXHTWIQ-ZETCQYMHSA-N 0 0 194.230 2.099 10 30 AEEERN C=C[C@@H]1CC[C@]2(C)O[C@@H]2C1 238521983 573814144 /nfs/dbraw/zinc/81/41/44/573814144.db2.gz JBHNBFAAUMYESV-HLTSFMKQSA-N 0 0 138.210 2.130 10 30 AEEERN C=C(C)[C@@](C)(O)[C@H](O)c1ccccc1 238133491 573814170 /nfs/dbraw/zinc/81/41/70/573814170.db2.gz UZGJTPNZLPDHDK-VXGBXAGGSA-N 0 0 192.258 2.047 10 30 AEEERN C=C(C)[C@@](C)(C=O)c1ccco1 238132896 573814227 /nfs/dbraw/zinc/81/42/27/573814227.db2.gz QCTJLGKUAUFNLB-SNVBAGLBSA-N 0 0 164.204 2.312 10 30 AEEERN C[Si](C)(C)C1=C[C@@H]2C=C[C@H]2C1=O 238521813 573814291 /nfs/dbraw/zinc/81/42/91/573814291.db2.gz KLCHLMHXISKFKP-JGVFFNPUSA-N 0 0 178.307 2.175 10 30 AEEERN C[C@H](O)C/C=C/c1ccc(C#N)cc1 225000268 573814316 /nfs/dbraw/zinc/81/43/16/573814316.db2.gz YQZVCEYZJPEICU-YWNRKNDBSA-N 0 0 187.242 2.342 10 30 AEEERN C=C(C)[C@@]1(C)CCCC1=O 238134022 573814411 /nfs/dbraw/zinc/81/44/11/573814411.db2.gz SVKJPMCXOOCHQZ-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN COc1cc(C)cc(CCC=O)c1F 258140894 573814470 /nfs/dbraw/zinc/81/44/70/573814470.db2.gz SLJYNGZTPXCCBJ-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN CC[C@]1(c2ccc(O)cc2)C[C@H]1C=O 257885344 573814472 /nfs/dbraw/zinc/81/44/72/573814472.db2.gz WECXCBZGCRBVDG-CMPLNLGQSA-N 0 0 190.242 2.259 10 30 AEEERN C=C(C)[C@H](O)C1SCCCS1 238140241 573823871 /nfs/dbraw/zinc/82/38/71/573823871.db2.gz PFKIDLRNKNWHGJ-ZETCQYMHSA-N 0 0 190.333 2.120 10 30 AEEERN N#Cc1cc(N)cc2c1CC(=O)S2 306937560 573823363 /nfs/dbraw/zinc/82/33/63/573823363.db2.gz LIPKPAVELCYLSL-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=Cc1ccc(C(=O)CC#N)cc1 238131373 573823409 /nfs/dbraw/zinc/82/34/09/573823409.db2.gz JMKKSDVSICKMPI-UHFFFAOYSA-N 0 0 171.199 2.426 10 30 AEEERN C=C[C@]12CCC[C@@]1(C=O)CC2 238130002 573823496 /nfs/dbraw/zinc/82/34/96/573823496.db2.gz AZYDAHQPLAMUTL-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN C=CC(C)(C)C/C=C/CO 238129820 573823546 /nfs/dbraw/zinc/82/35/46/573823546.db2.gz HYAHGHNQPSRKDN-AATRIKPKSA-N 0 0 140.226 2.137 10 30 AEEERN Cc1cc2sncc2cc1C#N 238525470 573823610 /nfs/dbraw/zinc/82/36/10/573823610.db2.gz JEPZXZPUTBERBH-UHFFFAOYSA-N 0 0 174.228 2.476 10 30 AEEERN N#Cc1csc2c(Cl)ncnc12 238526436 573823647 /nfs/dbraw/zinc/82/36/47/573823647.db2.gz SQSALNLGJRBQRQ-UHFFFAOYSA-N 0 0 195.634 2.216 10 30 AEEERN C[C@@H]1CC(C(=O)CCC#N)C[C@@H](C)O1 259622791 573823686 /nfs/dbraw/zinc/82/36/86/573823686.db2.gz HLDVZGASYZZQHH-RKDXNWHRSA-N 0 0 195.262 2.063 10 30 AEEERN C=C[C@@H]1CCC[C@H](CC(C)=O)O1 238129350 573823705 /nfs/dbraw/zinc/82/37/05/573823705.db2.gz VDDJWBGZZQLTDJ-NXEZZACHSA-N 0 0 168.236 2.089 10 30 AEEERN N#Cc1ccc2c(N)c(F)sc2c1 306931562 573823777 /nfs/dbraw/zinc/82/37/77/573823777.db2.gz CVSPBOFUEYZYFN-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C=C(C)[C@H](O)C1=C(C)C1(C)C 238140098 573823835 /nfs/dbraw/zinc/82/38/35/573823835.db2.gz UPNDLCBFHXVUSF-VIFPVBQESA-N 0 0 152.237 2.280 10 30 AEEERN O=CC(F)(F)c1cccc(F)c1F 257884691 573823837 /nfs/dbraw/zinc/82/38/37/573823837.db2.gz WBIWNPWMSDSRHI-UHFFFAOYSA-N 0 0 192.111 2.256 10 30 AEEERN CC(C)(C=O)Cc1ccccc1C#N 238131010 573823852 /nfs/dbraw/zinc/82/38/52/573823852.db2.gz FVNGBEQAQXGQOT-UHFFFAOYSA-N 0 0 187.242 2.326 10 30 AEEERN C=C[C@H]1C[C@H]1C(=O)C(C)(C)C 238131084 573823227 /nfs/dbraw/zinc/82/32/27/573823227.db2.gz INKNDJHACVGVMV-JGVFFNPUSA-N 0 0 152.237 2.424 10 30 AEEERN Cc1n[nH]cc1-c1sccc1C#N 259622777 573826073 /nfs/dbraw/zinc/82/60/73/573826073.db2.gz HLCGZUPYPZQQFJ-UHFFFAOYSA-N 0 0 189.243 2.318 10 30 AEEERN Cc1ccc([C@H](C)C=O)s1 84324887 573826074 /nfs/dbraw/zinc/82/60/74/573826074.db2.gz FIZLJMKHUGXKFV-ZCFIWIBFSA-N 0 0 154.234 2.359 10 30 AEEERN CCCC[C@H](C#N)N1CCCC1 41053499 573826075 /nfs/dbraw/zinc/82/60/75/573826075.db2.gz FXNBPILYOURPTI-SNVBAGLBSA-N 0 0 166.268 2.165 10 30 AEEERN C[C@@]12CCC(=O)C=C1C[C@@H](CO)CC2 238525369 573826078 /nfs/dbraw/zinc/82/60/78/573826078.db2.gz KXYOGHXCBOHVRR-JOYOIKCWSA-N 0 0 194.274 2.074 10 30 AEEERN C[C@@H]1CCC[C@H](C=O)CC1 84324916 573826080 /nfs/dbraw/zinc/82/60/80/573826080.db2.gz JGMMFPPCCOTQEV-BDAKNGLRSA-N 0 0 140.226 2.402 10 30 AEEERN C=C[C@]12CCCC[C@H]1CC2=O 238129858 573826128 /nfs/dbraw/zinc/82/61/28/573826128.db2.gz SXTFHVRHJCEVPY-WPRPVWTQSA-N 0 0 150.221 2.322 10 30 AEEERN C=C[C@]1(c2ccccc2)CCC1=O 238130532 573826138 /nfs/dbraw/zinc/82/61/38/573826138.db2.gz KVZOZQXIURYUDX-GFCCVEGCSA-N 0 0 172.227 2.473 10 30 AEEERN CC[C@H]1CCCC[C@H]1N[C@@H](C)C#N 43515397 573826169 /nfs/dbraw/zinc/82/61/69/573826169.db2.gz VRTLLXLFAAQWNZ-GARJFASQSA-N 0 0 180.295 2.457 10 30 AEEERN C[C@H]1C[C@H](C(=O)CCC#N)C[C@@H](C)O1 259622787 573826208 /nfs/dbraw/zinc/82/62/08/573826208.db2.gz HLDVZGASYZZQHH-ILWJIGKKSA-N 0 0 195.262 2.063 10 30 AEEERN Cc1ccc(N=Cc2c[nH]cn2)cc1 238526216 573826400 /nfs/dbraw/zinc/82/64/00/573826400.db2.gz TVRNSKWGRFXMEW-NTUHNPAUSA-N 0 0 185.230 2.469 10 30 AEEERN CCCC[C@H](C#N)NCC1CC1 41053313 573826430 /nfs/dbraw/zinc/82/64/30/573826430.db2.gz MVJNVWABMGUPKL-SNVBAGLBSA-N 0 0 166.268 2.068 10 30 AEEERN C=C[C@H]1C=C[C@@H](CC(C)=O)C1 238130471 573826452 /nfs/dbraw/zinc/82/64/52/573826452.db2.gz SEOLTBAYUUIMFV-UWVGGRQHSA-N 0 0 150.221 2.344 10 30 AEEERN CCCNc1ncc(Cl)cc1C#N 85352192 573826494 /nfs/dbraw/zinc/82/64/94/573826494.db2.gz LHDUTNVWUGTMCO-UHFFFAOYSA-N 0 0 195.653 2.429 10 30 AEEERN C/C(=C\C#CCCO)c1ccccc1 308445386 573826496 /nfs/dbraw/zinc/82/64/96/573826496.db2.gz KZGKRSLMXIPMDY-XYOKQWHBSA-N 0 0 186.254 2.476 10 30 AEEERN CC[C@H](CNCC#N)c1ccccc1 308750057 573826519 /nfs/dbraw/zinc/82/65/19/573826519.db2.gz UAIWNYCKXDUVSE-LLVKDONJSA-N 0 0 188.274 2.293 10 30 AEEERN C=C[C@H]1CCC[C@H](CC(C)=O)O1 238129725 573826534 /nfs/dbraw/zinc/82/65/34/573826534.db2.gz VDDJWBGZZQLTDJ-VHSXEESVSA-N 0 0 168.236 2.089 10 30 AEEERN C=C(C)[C@@H]1OC(C)(C)C[C@@]1(C)C=O 238130069 573826574 /nfs/dbraw/zinc/82/65/74/573826574.db2.gz FQMYHPRVNUBMCE-ONGXEEELSA-N 0 0 182.263 2.335 10 30 AEEERN C[C@@H]1CCC[C@@H](C=O)[C@@H]1C 84324895 573826639 /nfs/dbraw/zinc/82/66/39/573826639.db2.gz AGPAHCPNDNDKRX-HLTSFMKQSA-N 0 0 140.226 2.258 10 30 AEEERN Cc1nc(N)c(C#N)cc1CC(C)C 306325077 573826643 /nfs/dbraw/zinc/82/66/43/573826643.db2.gz REJMVYATZCQLDT-UHFFFAOYSA-N 0 0 189.262 2.042 10 30 AEEERN N#Cc1cnc2c(c1)CCc1cocc1-2 259622773 573826649 /nfs/dbraw/zinc/82/66/49/573826649.db2.gz HKPNQGGLVMMDDB-UHFFFAOYSA-N 0 0 196.209 2.312 10 30 AEEERN C[C@@]12CCC(=O)C=C1C[C@@H](C=O)CC2 238525041 573826664 /nfs/dbraw/zinc/82/66/64/573826664.db2.gz VAQQCGNLRMFUPH-JOYOIKCWSA-N 0 0 192.258 2.281 10 30 AEEERN C[C@]12CC[C@H](O)C=C1C[C@@H](C=O)CC2 238525868 573826668 /nfs/dbraw/zinc/82/66/68/573826668.db2.gz VMTNYDZKNUSORR-DLOVCJGASA-N 0 0 194.274 2.073 10 30 AEEERN C[C@H](C=O)[C@H]1Cc2cccc(F)c2C1 257884456 573826698 /nfs/dbraw/zinc/82/66/98/573826698.db2.gz VYPFIJVGZNKYQD-SCZZXKLOSA-N 0 0 192.233 2.376 10 30 AEEERN C[C@@H](C=O)[C@H]1Cc2cccc(F)c2C1 257884465 573826706 /nfs/dbraw/zinc/82/67/06/573826706.db2.gz VYPFIJVGZNKYQD-WPRPVWTQSA-N 0 0 192.233 2.376 10 30 AEEERN CC(C)[C@H](O)C#CC#Cc1ccccc1 215411987 573826753 /nfs/dbraw/zinc/82/67/53/573826753.db2.gz LLJZVOXVTXIERC-CQSZACIVSA-N 0 0 198.265 2.058 10 30 AEEERN C[C@H](C#N)N[C@H](C)CCc1ccco1 43515564 573826790 /nfs/dbraw/zinc/82/67/90/573826790.db2.gz UEKDZZQLJSUWPJ-NXEZZACHSA-N 0 0 192.262 2.102 10 30 AEEERN C[C@H](C#N)NCCC1CCCC1 43515018 573826841 /nfs/dbraw/zinc/82/68/41/573826841.db2.gz KFOLBCQQRVNQMY-SECBINFHSA-N 0 0 166.268 2.068 10 30 AEEERN C=C[C@]12CCC(=O)[C@H](CC1=C)C2 238129522 573826846 /nfs/dbraw/zinc/82/68/46/573826846.db2.gz LNEGBGJOFYZREK-MWLCHTKSSA-N 0 0 162.232 2.488 10 30 AEEERN C=C=CC(C)(C)[C@H](O)CC=C 238155288 573830282 /nfs/dbraw/zinc/83/02/82/573830282.db2.gz AHYJGEQFRRAISK-SECBINFHSA-N 0 0 152.237 2.291 10 30 AEEERN N#CCc1c(C(F)F)ccnc1F 238527889 573830368 /nfs/dbraw/zinc/83/03/68/573830368.db2.gz COKWDMFQXAQGMH-UHFFFAOYSA-N 0 0 186.136 2.224 10 30 AEEERN C=C(C)[C@]1(C)CC(=O)C(C)(C)O1 238153350 573830371 /nfs/dbraw/zinc/83/03/71/573830371.db2.gz HNZCZYYNJXJHMX-JTQLQIEISA-N 0 0 168.236 2.089 10 30 AEEERN C=C(Cc1ccccc1C)C(=O)OC 258142785 573830475 /nfs/dbraw/zinc/83/04/75/573830475.db2.gz JVGIZSFRQMENNY-UHFFFAOYSA-N 0 0 190.242 2.267 10 30 AEEERN C[C@H](S)c1ccc2c(c1)CC(=O)N2 259204817 573830557 /nfs/dbraw/zinc/83/05/57/573830557.db2.gz KYOVHKRDBFSWGB-LURJTMIESA-N 0 0 193.271 2.172 10 30 AEEERN Cc1noc2ccc(CCC=O)cc12 258143049 573830561 /nfs/dbraw/zinc/83/05/61/573830561.db2.gz SSNUCFBQWOJXBO-UHFFFAOYSA-N 0 0 189.214 2.268 10 30 AEEERN N#CCc1ccc(Cl)c2c1OCO2 258142886 573830597 /nfs/dbraw/zinc/83/05/97/573830597.db2.gz SPNYRTJTCRAASR-UHFFFAOYSA-N 0 0 195.605 2.135 10 30 AEEERN CCNc1ncc(Cl)cc1C#N 85352190 573830614 /nfs/dbraw/zinc/83/06/14/573830614.db2.gz QGUBCSJURDROQJ-UHFFFAOYSA-N 0 0 181.626 2.038 10 30 AEEERN Cc1ccc([C@@]2(C)C[C@H]2C=O)cc1 238526857 573830629 /nfs/dbraw/zinc/83/06/29/573830629.db2.gz WLOIQNZHWMUBKT-NWDGAFQWSA-N 0 0 174.243 2.472 10 30 AEEERN N#Cc1c(C(F)F)ccnc1F 238527719 573830842 /nfs/dbraw/zinc/83/08/42/573830842.db2.gz KDNRZOLUBZOBAJ-UHFFFAOYSA-N 0 0 172.109 2.030 10 30 AEEERN C=C(CS)C[C@H](O)C(C)(C)C 238146661 573830881 /nfs/dbraw/zinc/83/08/81/573830881.db2.gz XULCZIYGSLSWQO-QMMMGPOBSA-N 0 0 174.309 2.270 10 30 AEEERN N#Cc1csc2c(C#N)c(N)ccc12 306721865 573830917 /nfs/dbraw/zinc/83/09/17/573830917.db2.gz IIJFFXQADGTFEM-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN Cc1ccc([C@H](O)CS)s1 258142672 573830924 /nfs/dbraw/zinc/83/09/24/573830924.db2.gz MONKCVQIMATEHI-ZCFIWIBFSA-N 0 0 174.290 2.020 10 30 AEEERN Nc1ccc2[nH]cc(CS)c2c1 258142764 573830955 /nfs/dbraw/zinc/83/09/55/573830955.db2.gz WAJOMYZPGHIXTB-UHFFFAOYSA-N 0 0 178.260 2.180 10 30 AEEERN C=C(CCO)C[C@H]1CCSC1 258144586 573830981 /nfs/dbraw/zinc/83/09/81/573830981.db2.gz JXYIDXRIAPZHTQ-SECBINFHSA-N 0 0 172.293 2.068 10 30 AEEERN Cc1ccc(O)c(C2(C#N)CC2)c1 238527510 573831079 /nfs/dbraw/zinc/83/10/79/573831079.db2.gz XUWOADRQEAEUTL-UHFFFAOYSA-N 0 0 173.215 2.256 10 30 AEEERN C#CCN[C@H](C#N)C1CCCCCC1 84329749 573831096 /nfs/dbraw/zinc/83/10/96/573831096.db2.gz KLBJREQDRDPYCQ-GFCCVEGCSA-N 0 0 190.290 2.072 10 30 AEEERN C=CC(=O)CCc1cccs1 143493806 573831164 /nfs/dbraw/zinc/83/11/64/573831164.db2.gz JYTOZDMADYPMTH-UHFFFAOYSA-N 0 0 166.245 2.436 10 30 AEEERN CC(C)C[C@@H](O)C#CC(C)(C)C 238149519 573831169 /nfs/dbraw/zinc/83/11/69/573831169.db2.gz RXFURZMFKGNPMO-JTQLQIEISA-N 0 0 168.280 2.443 10 30 AEEERN CC[C@H]1CC2=C(OCCC2)C1=O 224703621 573831330 /nfs/dbraw/zinc/83/13/30/573831330.db2.gz RAZQRLJQUHJHGF-ZETCQYMHSA-N 0 0 166.220 2.050 10 30 AEEERN C[C@]12CC[C@](C)(C1)C2C=O 238526784 573831335 /nfs/dbraw/zinc/83/13/35/573831335.db2.gz FJIQETUAMLTDDI-CBLAIPOGSA-N 0 0 138.210 2.012 10 30 AEEERN N#Cc1cc2ccsc2c(O)c1N 306720721 573831368 /nfs/dbraw/zinc/83/13/68/573831368.db2.gz NRZDEDYPSNTPJR-UHFFFAOYSA-N 0 0 190.227 2.061 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CC[C@@H]1C 715022508 573831373 /nfs/dbraw/zinc/83/13/73/573831373.db2.gz IJFVXBGVNRSWFB-GUBZILKMSA-N 0 0 154.253 2.360 10 30 AEEERN C=C(C)[C@H]1CC[C@@](C)(C=O)C(=O)C1 238146815 573831413 /nfs/dbraw/zinc/83/14/13/573831413.db2.gz XQXOMXFJZIRZQR-ONGXEEELSA-N 0 0 180.247 2.137 10 30 AEEERN Cc1cc(O)c(Cl)cc1CCC=O 258144167 573831556 /nfs/dbraw/zinc/83/15/56/573831556.db2.gz ODEAXQXUTALXGO-UHFFFAOYSA-N 0 0 198.649 2.486 10 30 AEEERN C=C(C)[C@H]1CC[C@H](C=O)C1 238147427 573831572 /nfs/dbraw/zinc/83/15/72/573831572.db2.gz DEFKQDSBSYNCTN-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN C[C@]12CC[C@]1(C)[C@@H](C=O)C2 238527186 573831576 /nfs/dbraw/zinc/83/15/76/573831576.db2.gz VFZWATWGYJRVHB-IWSPIJDZSA-N 0 0 138.210 2.012 10 30 AEEERN COc1cccc(CO[C@H](C)C#N)c1 43522584 573831722 /nfs/dbraw/zinc/83/17/22/573831722.db2.gz CNFXWNSZANEUNR-SECBINFHSA-N 0 0 191.230 2.124 10 30 AEEERN C=C(CCO)C[C@@H]1CCSC1 258144587 573831913 /nfs/dbraw/zinc/83/19/13/573831913.db2.gz JXYIDXRIAPZHTQ-VIFPVBQESA-N 0 0 172.293 2.068 10 30 AEEERN OCCCCCN=Nc1ccccc1 308446213 573831925 /nfs/dbraw/zinc/83/19/25/573831925.db2.gz MMHRQAPUMXMLJV-UHFFFAOYSA-N 0 0 192.262 2.247 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)Cc1ccco1 43540699 573831943 /nfs/dbraw/zinc/83/19/43/573831943.db2.gz QNXMPLXVLWFOAD-VHSXEESVSA-N 0 0 192.262 2.102 10 30 AEEERN CC(C)(C)[C@@H](O)CCCS 238146993 573831946 /nfs/dbraw/zinc/83/19/46/573831946.db2.gz UOHUSPQBXGALMR-ZETCQYMHSA-N 0 0 162.298 2.103 10 30 AEEERN O=C[C@@](F)(Cl)c1ccccc1 238531428 573831965 /nfs/dbraw/zinc/83/19/65/573831965.db2.gz YCODFTBFIMHOQI-QMMMGPOBSA-N 0 0 172.586 2.247 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CC[C@H]1C 715022506 573832101 /nfs/dbraw/zinc/83/21/01/573832101.db2.gz IJFVXBGVNRSWFB-AEJSXWLSSA-N 0 0 154.253 2.360 10 30 AEEERN N#Cc1cc(Cc2ccccc2)c[nH]1 259208464 573832102 /nfs/dbraw/zinc/83/21/02/573832102.db2.gz NRJJORGMVWDICX-UHFFFAOYSA-N 0 0 182.226 2.477 10 30 AEEERN N#Cc1c(Cl)ccc2c1OCOC2 238531229 573832183 /nfs/dbraw/zinc/83/21/83/573832183.db2.gz ULNIMZCBLGONEF-UHFFFAOYSA-N 0 0 195.605 2.078 10 30 AEEERN CC(C)(C)[C@@H](O)C(Cl)(Cl)C#N 238146189 573832248 /nfs/dbraw/zinc/83/22/48/573832248.db2.gz BRAGPAVMUHWEOQ-RXMQYKEDSA-N 0 0 196.077 2.091 10 30 AEEERN CN(C)[C@@H](C#N)C1CCCCCC1 84330166 573832396 /nfs/dbraw/zinc/83/23/96/573832396.db2.gz DQFNKSZOAVBCRU-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C)[C@@H](O)C(C)(C)CS 238146083 573832462 /nfs/dbraw/zinc/83/24/62/573832462.db2.gz CLYMZKYJFNQODU-SSDOTTSWSA-N 0 0 176.325 2.349 10 30 AEEERN CC[C@H](C#N)N[C@H](C)Cc1ccco1 43540701 573832489 /nfs/dbraw/zinc/83/24/89/573832489.db2.gz QNXMPLXVLWFOAD-NXEZZACHSA-N 0 0 192.262 2.102 10 30 AEEERN C#CC(C)(C)C(=O)C(C)(C)C=C 238152605 573832491 /nfs/dbraw/zinc/83/24/91/573832491.db2.gz NPSKPTHCZYVAJL-UHFFFAOYSA-N 0 0 164.248 2.427 10 30 AEEERN C=C(C)[C@H]1CC[C@@H](C=O)C1 238146558 573832512 /nfs/dbraw/zinc/83/25/12/573832512.db2.gz DEFKQDSBSYNCTN-BDAKNGLRSA-N 0 0 138.210 2.178 10 30 AEEERN COc1ccc(N(C)CS)cc1 258966690 573835251 /nfs/dbraw/zinc/83/52/51/573835251.db2.gz UIVSXILSPKQTCS-UHFFFAOYSA-N 0 0 183.276 2.019 10 30 AEEERN N#CCC[C@]1(F)CCCCC1=O 238531836 573835270 /nfs/dbraw/zinc/83/52/70/573835270.db2.gz CCVLPKMEXKXQPL-SECBINFHSA-N 0 0 169.199 2.142 10 30 AEEERN C=CC[C@H](C)[C@]1(O)C[C@@H](C)O[C@@H]1C 715024356 573835362 /nfs/dbraw/zinc/83/53/62/573835362.db2.gz NDSHKULNZRAIOZ-LNFKQOIKSA-N 0 0 184.279 2.127 10 30 AEEERN C=C[C@@]1(C)C[C@H]1[C@@H](O)C(=C)C 238141753 573835407 /nfs/dbraw/zinc/83/54/07/573835407.db2.gz NGPIIVKUVBIKLG-GUBZILKMSA-N 0 0 152.237 2.136 10 30 AEEERN C[C@@H](C#N)OCCc1cccs1 43522756 573835411 /nfs/dbraw/zinc/83/54/11/573835411.db2.gz OJZXMBJCSGYZSY-QMMMGPOBSA-N 0 0 181.260 2.219 10 30 AEEERN COc1cccc(/C=C(\C)C(C)=O)n1 308449187 573835617 /nfs/dbraw/zinc/83/56/17/573835617.db2.gz RCMMNDGGSXVTDC-BQYQJAHWSA-N 0 0 191.230 2.083 10 30 AEEERN N#Cc1cc(Cl)cc2[nH]cnc12 238533644 573835708 /nfs/dbraw/zinc/83/57/08/573835708.db2.gz LIFXXFWQTWIHFU-UHFFFAOYSA-N 0 0 177.594 2.088 10 30 AEEERN Cc1c[nH]c2cc(CC=O)ccc12 258152785 573835775 /nfs/dbraw/zinc/83/57/75/573835775.db2.gz RDKIOIVBUUSOSC-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN Cc1ccc([C@H](O)C#CC2CC2)cc1 238533695 573835798 /nfs/dbraw/zinc/83/57/98/573835798.db2.gz PESGIGPNYDPUGO-CYBMUJFWSA-N 0 0 186.254 2.442 10 30 AEEERN Cn1ccc2ccc(CCC=O)cc21 258152867 573835861 /nfs/dbraw/zinc/83/58/61/573835861.db2.gz UEPKWFBZCWYXBG-UHFFFAOYSA-N 0 0 187.242 2.310 10 30 AEEERN C=C(C)[C@H](O)Cc1cc(C)ccc1O 238141147 573835894 /nfs/dbraw/zinc/83/58/94/573835894.db2.gz KCHVSFNEBCIINH-GFCCVEGCSA-N 0 0 192.258 2.180 10 30 AEEERN CC(C)CCCO[C@H](C)C#N 43522630 573835992 /nfs/dbraw/zinc/83/59/92/573835992.db2.gz PMQHRSIJQRIMJW-SECBINFHSA-N 0 0 155.241 2.351 10 30 AEEERN CC[C@@H](C#N)NCC1(C2CC2)CCC1 308764475 573837362 /nfs/dbraw/zinc/83/73/62/573837362.db2.gz ZQHKGAZQTVTPKN-NSHDSACASA-N 0 0 192.306 2.458 10 30 AEEERN CC(=O)C1=CSC=CS1 238155550 573837428 /nfs/dbraw/zinc/83/74/28/573837428.db2.gz OTNFTRLPXZOTTE-UHFFFAOYSA-N 0 0 158.247 2.368 10 30 AEEERN CCCC[C@@H](COC)N[C@@H](C#N)CC 308764569 573837460 /nfs/dbraw/zinc/83/74/60/573837460.db2.gz ZROTXCJAYDWHSB-MNOVXSKESA-N 0 0 198.310 2.083 10 30 AEEERN COc1cc(O)ccc1[C@@H](C)CC=O 258152898 573837484 /nfs/dbraw/zinc/83/74/84/573837484.db2.gz UFBWCCVLPGUWST-QMMMGPOBSA-N 0 0 194.230 2.093 10 30 AEEERN C=C(C)/C=C/c1occc1CO 238155909 573837520 /nfs/dbraw/zinc/83/75/20/573837520.db2.gz BLGWKPNKRSACLI-ONEGZZNKSA-N 0 0 164.204 2.361 10 30 AEEERN C#C[C@@](C)(C=O)C(C)(C)C=C 238154713 573837526 /nfs/dbraw/zinc/83/75/26/573837526.db2.gz UQLKCHFQUJWZQD-JTQLQIEISA-N 0 0 150.221 2.037 10 30 AEEERN CC[C@@H](C#N)NCc1ccccc1C 43540338 573837598 /nfs/dbraw/zinc/83/75/98/573837598.db2.gz LDYUFMHKVOSSSY-LBPRGKRZSA-N 0 0 188.274 2.387 10 30 AEEERN O=CC1(c2cc(F)ccc2F)CC1 84336625 573837603 /nfs/dbraw/zinc/83/76/03/573837603.db2.gz NAWMBSODDTYNST-UHFFFAOYSA-N 0 0 182.169 2.195 10 30 AEEERN C[C@@]1(C(=O)C2=CCCC2)CCCO1 87229793 573837649 /nfs/dbraw/zinc/83/76/49/573837649.db2.gz JJNLTOHSGOVKSJ-NSHDSACASA-N 0 0 180.247 2.235 10 30 AEEERN C#Cc1ccccc1C[C@@H](O)C(=C)C 238141207 573837683 /nfs/dbraw/zinc/83/76/83/573837683.db2.gz PYESKSNRTXTNCE-CYBMUJFWSA-N 0 0 186.254 2.147 10 30 AEEERN CC[C@@H](C#N)N[C@H](C)CC(C)C 43539834 573837695 /nfs/dbraw/zinc/83/76/95/573837695.db2.gz WSNWJDUVNNLDDU-ZJUUUORDSA-N 0 0 168.284 2.313 10 30 AEEERN CC[C@H](C#N)N[C@@H](C)c1ccco1 43540047 573837740 /nfs/dbraw/zinc/83/77/40/573837740.db2.gz CPYQYAOTHFNQSV-DTWKUNHWSA-N 0 0 178.235 2.232 10 30 AEEERN CC(C)(C#Cc1ccccc1)C=O 238155432 573837801 /nfs/dbraw/zinc/83/78/01/573837801.db2.gz FMLXYZFTMDPXFN-UHFFFAOYSA-N 0 0 172.227 2.263 10 30 AEEERN Cc1c[nH]c2c(CC=O)cccc12 258152591 573837897 /nfs/dbraw/zinc/83/78/97/573837897.db2.gz RBMDSONFBGKDOI-UHFFFAOYSA-N 0 0 173.215 2.218 10 30 AEEERN N#Cc1cc(Cl)cc2oncc12 238533830 573837918 /nfs/dbraw/zinc/83/79/18/573837918.db2.gz XTEQPYYWEVOPHL-UHFFFAOYSA-N 0 0 178.578 2.353 10 30 AEEERN CC(C)(C)[C@@H]1CC[C@H](C=O)OC1 238155285 573837946 /nfs/dbraw/zinc/83/79/46/573837946.db2.gz SSBIQSOHUIMWHJ-RKDXNWHRSA-N 0 0 170.252 2.027 10 30 AEEERN CC[C@H](C#N)NCc1ccc(F)cc1 43539275 573837981 /nfs/dbraw/zinc/83/79/81/573837981.db2.gz NFGLWJMHRMISPQ-LLVKDONJSA-N 0 0 192.237 2.217 10 30 AEEERN Cc1ccc([C@H]2CC(=O)C=CN2)cc1 238535076 573838045 /nfs/dbraw/zinc/83/80/45/573838045.db2.gz GGJFAOORBCEMEZ-GFCCVEGCSA-N 0 0 187.242 2.112 10 30 AEEERN CC[C@H](C#N)N(CCC#N)CC(C)C 43542252 573842477 /nfs/dbraw/zinc/84/24/77/573842477.db2.gz JRTDEMNEZPDLAU-LLVKDONJSA-N 0 0 193.294 2.160 10 30 AEEERN O=C[C@@H]1CNc2cccc(Cl)c21 258150217 573842498 /nfs/dbraw/zinc/84/24/98/573842498.db2.gz QXEYMEXWMZHIKZ-LURJTMIESA-N 0 0 181.622 2.048 10 30 AEEERN Cc1cn(C)c2ccc(CC=O)cc12 258150374 573841751 /nfs/dbraw/zinc/84/17/51/573841751.db2.gz QZGAPTRJHLWBTB-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN C=CC[C@@H]1OC(=O)N[C@H]1C(C)(C)C 238157967 573841839 /nfs/dbraw/zinc/84/18/39/573841839.db2.gz MTZLCVGJWYMTDA-JGVFFNPUSA-N 0 0 183.251 2.086 10 30 AEEERN N#C[C@@H](F)Cc1cccc(F)c1 259623138 573841947 /nfs/dbraw/zinc/84/19/47/573841947.db2.gz FMDLEHBHBDCBEY-VIFPVBQESA-N 0 0 167.158 2.230 10 30 AEEERN Cc1cc(C#N)c2nc(N)sc2c1 238534770 573841955 /nfs/dbraw/zinc/84/19/55/573841955.db2.gz JAAKCAZFDSRQIV-UHFFFAOYSA-N 0 0 189.243 2.059 10 30 AEEERN CC[C@@H](C#N)NCCc1cccs1 43539284 573841976 /nfs/dbraw/zinc/84/19/76/573841976.db2.gz NBYYWCSJBIINCB-VIFPVBQESA-N 0 0 194.303 2.182 10 30 AEEERN CC(C)C[C@@H](C#N)c1ncc[nH]1 259207878 573841986 /nfs/dbraw/zinc/84/19/86/573841986.db2.gz QSJJXOVGYXYGCD-QMMMGPOBSA-N 0 0 163.224 2.063 10 30 AEEERN Cc1cc(C)c(C(=O)C#N)c(C)c1 238533869 573842015 /nfs/dbraw/zinc/84/20/15/573842015.db2.gz IRUFTBCROXXAIW-UHFFFAOYSA-N 0 0 173.215 2.318 10 30 AEEERN Cc1cc([C@@H](C#N)C(C)C)on1 259573892 573842085 /nfs/dbraw/zinc/84/20/85/573842085.db2.gz DONQKDRHRTWJJV-QMMMGPOBSA-N 0 0 164.208 2.246 10 30 AEEERN CCN[C@H](C#N)[C@@H]1CCC[C@H](C)C1 84343687 573842122 /nfs/dbraw/zinc/84/21/22/573842122.db2.gz MBBIGLHSWRFKRY-HBNTYKKESA-N 0 0 180.295 2.314 10 30 AEEERN CC[C@@H](C#N)NCC1CCCCC1 43539824 573842140 /nfs/dbraw/zinc/84/21/40/573842140.db2.gz XNNQJTJYSPOUST-NSHDSACASA-N 0 0 180.295 2.458 10 30 AEEERN CCOc1ccc([C@@H](F)C=O)cc1 257887328 573842149 /nfs/dbraw/zinc/84/21/49/573842149.db2.gz MWIUPOYPNQROHT-JTQLQIEISA-N 0 0 182.194 2.295 10 30 AEEERN CC[C@H](C#N)N[C@H](C)CC(C)C 43539835 573842179 /nfs/dbraw/zinc/84/21/79/573842179.db2.gz WSNWJDUVNNLDDU-NXEZZACHSA-N 0 0 168.284 2.313 10 30 AEEERN CC(C)=CC[C@@]12O[C@@H]1CC=CC2=O 238156422 573842207 /nfs/dbraw/zinc/84/22/07/573842207.db2.gz SSZHQSZCYUIKIL-MNOVXSKESA-N 0 0 178.231 2.009 10 30 AEEERN Cn1ccc2ncc(C(C)(C)C#N)cc21 214982404 573842271 /nfs/dbraw/zinc/84/22/71/573842271.db2.gz QSYCSUHIUIXNJJ-UHFFFAOYSA-N 0 0 199.257 2.374 10 30 AEEERN C/C=C(\CC)C(=O)c1nccn1CC 308450323 573842324 /nfs/dbraw/zinc/84/23/24/573842324.db2.gz RYWZHPPXPDBTHF-RUDMXATFSA-N 0 0 192.262 2.442 10 30 AEEERN CCCN(CC1CC1)[C@H](C#N)CC 43556584 573847140 /nfs/dbraw/zinc/84/71/40/573847140.db2.gz FULKUTLDLIJUCF-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN C=C1[C@@H](C=O)[C@H]1C(C)(C)C 238159736 573847171 /nfs/dbraw/zinc/84/71/71/573847171.db2.gz WHJCRFOPFYAPMS-SFYZADRCSA-N 0 0 138.210 2.034 10 30 AEEERN N#Cc1cc(F)c(C(F)F)cn1 238535644 573846437 /nfs/dbraw/zinc/84/64/37/573846437.db2.gz XBRGHWJJVBMFEZ-UHFFFAOYSA-N 0 0 172.109 2.030 10 30 AEEERN CCCCOCCO[C@@H](C#N)CC 43557214 573846486 /nfs/dbraw/zinc/84/64/86/573846486.db2.gz UCMUKJXMTGZEAH-SNVBAGLBSA-N 0 0 185.267 2.122 10 30 AEEERN C=C(C)c1ccccc1[C@H]1O[C@H]1CO 238159349 573846512 /nfs/dbraw/zinc/84/65/12/573846512.db2.gz KITAERBZDAZOJW-NWDGAFQWSA-N 0 0 190.242 2.152 10 30 AEEERN C=C(C)c1ccccc1[C@@H]1O[C@@H]1CO 238159223 573846531 /nfs/dbraw/zinc/84/65/31/573846531.db2.gz KITAERBZDAZOJW-NEPJUHHUSA-N 0 0 190.242 2.152 10 30 AEEERN CC[C@H](C#N)N(CC)CC(C)C 43556268 573846556 /nfs/dbraw/zinc/84/65/56/573846556.db2.gz RHFONAVITIMFEQ-SNVBAGLBSA-N 0 0 168.284 2.266 10 30 AEEERN Cc1c(CO)ccc(C#N)c1Cl 150001023 573846590 /nfs/dbraw/zinc/84/65/90/573846590.db2.gz OCGBAGFAHKQIEM-UHFFFAOYSA-N 0 0 181.622 2.012 10 30 AEEERN COCCON=C(C)c1ccsc1 308452043 573846691 /nfs/dbraw/zinc/84/66/91/573846691.db2.gz DUUDLAIPEATWFC-UHFFFAOYSA-N 0 0 199.275 2.135 10 30 AEEERN C=C1C[C@@H](C(C)=O)C1(C)C 238160472 573846699 /nfs/dbraw/zinc/84/66/99/573846699.db2.gz SBBLFANDMDCEDL-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN C=C(C)c1cccccc1=O 238159462 573846713 /nfs/dbraw/zinc/84/67/13/573846713.db2.gz CBHVEVUBTUERQK-UHFFFAOYSA-N 0 0 146.189 2.080 10 30 AEEERN C#CC1=C(/C=C\[C@@H](O)C#C)CCCC1 308452977 573846727 /nfs/dbraw/zinc/84/67/27/573846727.db2.gz TUDALQIWUNZJML-XPSMFNQNSA-N 0 0 186.254 2.041 10 30 AEEERN CC[C@H](C#N)N(CC(C)C)C1CC1 43556755 573846820 /nfs/dbraw/zinc/84/68/20/573846820.db2.gz DENFYKDEUCOMOB-SNVBAGLBSA-N 0 0 180.295 2.409 10 30 AEEERN O=C[C@H]1[C@H](c2ccccc2)C1(F)F 101151045 573846869 /nfs/dbraw/zinc/84/68/69/573846869.db2.gz PIUAUYYLLNOTIU-IUCAKERBSA-N 0 0 182.169 2.234 10 30 AEEERN CC[C@@H](C#N)N(C)Cc1ccoc1C 43556516 573846872 /nfs/dbraw/zinc/84/68/72/573846872.db2.gz PMZLZYRJWPJLHO-NSHDSACASA-N 0 0 192.262 2.322 10 30 AEEERN Cc1c(CC#N)[nH]c(C(F)F)cc1=O 238536967 573846934 /nfs/dbraw/zinc/84/69/34/573846934.db2.gz MMHHPYRIDGBFAS-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN C=C(C)c1cnc(N)c(C)c1 238159671 573846943 /nfs/dbraw/zinc/84/69/43/573846943.db2.gz GZCGXHRFTIGIJL-UHFFFAOYSA-N 0 0 148.209 2.005 10 30 AEEERN CC[C@H](C#N)Oc1ccccc1OC 43557041 573846964 /nfs/dbraw/zinc/84/69/64/573846964.db2.gz WIUADZZFYZJHMO-SECBINFHSA-N 0 0 191.230 2.376 10 30 AEEERN CCCN(C(C)C)[C@H](C#N)CC 43556246 573847848 /nfs/dbraw/zinc/84/78/48/573847848.db2.gz HTISAVKGCAJNIR-JTQLQIEISA-N 0 0 168.284 2.409 10 30 AEEERN CCCN(C(C)C)[C@@H](C#N)CC 43556248 573847894 /nfs/dbraw/zinc/84/78/94/573847894.db2.gz HTISAVKGCAJNIR-SNVBAGLBSA-N 0 0 168.284 2.409 10 30 AEEERN C=C(C)c1ccccc1[C@@H]1O[C@H]1CO 238159253 573847253 /nfs/dbraw/zinc/84/72/53/573847253.db2.gz KITAERBZDAZOJW-RYUDHWBXSA-N 0 0 190.242 2.152 10 30 AEEERN CCCCN(C)[C@@H](C#N)CC 43556051 573847341 /nfs/dbraw/zinc/84/73/41/573847341.db2.gz BWZFNWZDTAXVHM-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN CC[C@@H](C#N)OCc1ccco1 43556924 573847407 /nfs/dbraw/zinc/84/74/07/573847407.db2.gz GXYSAMSBALWCQZ-QMMMGPOBSA-N 0 0 165.192 2.098 10 30 AEEERN COCCCCN=N[C@@H](C)C(C)C 308452494 573847481 /nfs/dbraw/zinc/84/74/81/573847481.db2.gz DZXBOGCEBSAGFX-JTQLQIEISA-N 0 0 186.299 2.033 10 30 AEEERN O=C[C@@H]1[C@H](c2ccccc2)C1(F)F 101151049 573847550 /nfs/dbraw/zinc/84/75/50/573847550.db2.gz PIUAUYYLLNOTIU-BDAKNGLRSA-N 0 0 182.169 2.234 10 30 AEEERN CC[C@@H](C#N)N(C)[C@@H](C)C1CC1 43556339 573847647 /nfs/dbraw/zinc/84/76/47/573847647.db2.gz VXRRKPUEZJNPJJ-WPRPVWTQSA-N 0 0 166.268 2.019 10 30 AEEERN CC[C@@H](C#N)N(CC(C)C)C1CC1 43556753 573847716 /nfs/dbraw/zinc/84/77/16/573847716.db2.gz DENFYKDEUCOMOB-JTQLQIEISA-N 0 0 180.295 2.409 10 30 AEEERN Cc1cc(C#N)ccc1N1CC=CC1 306459907 573847736 /nfs/dbraw/zinc/84/77/36/573847736.db2.gz DYUZSKZMUWNBLO-UHFFFAOYSA-N 0 0 184.242 2.243 10 30 AEEERN CCCN(CCC)[C@@H](C#N)CC 43556025 573847767 /nfs/dbraw/zinc/84/77/67/573847767.db2.gz NGCXOIHYMXSGCW-SNVBAGLBSA-N 0 0 168.284 2.411 10 30 AEEERN Cc1ccc(-c2noc(C#N)c2C)nc1 259574833 573847790 /nfs/dbraw/zinc/84/77/90/573847790.db2.gz YGXRSUKSUOYVME-UHFFFAOYSA-N 0 0 199.213 2.225 10 30 AEEERN C=CCC[C@H]([NH3+])c1ncccc1F 131345115 573847803 /nfs/dbraw/zinc/84/78/03/573847803.db2.gz FTYKTSWLUHNADJ-VIFPVBQESA-N 0 0 180.226 2.187 10 30 AEEERN CCCCN(CC)[C@H](C#N)CC 43556067 573847809 /nfs/dbraw/zinc/84/78/09/573847809.db2.gz KYMXXIPNJSORFP-JTQLQIEISA-N 0 0 168.284 2.411 10 30 AEEERN Cc1cccc([C@H](C#N)c2ncc[nH]2)c1 259211090 573859309 /nfs/dbraw/zinc/85/93/09/573859309.db2.gz QYQBXBXOUUCVIB-NSHDSACASA-N 0 0 197.241 2.374 10 30 AEEERN CC(C)[C@@H]1CC(=O)[C@@H](C)[C@@H](C#N)C1 238169663 573859336 /nfs/dbraw/zinc/85/93/36/573859336.db2.gz ZRXOWVZOZVZALE-LPEHRKFASA-N 0 0 179.263 2.397 10 30 AEEERN Fc1ccc(/N=C/c2ncc[nH]2)cc1 238547841 573859337 /nfs/dbraw/zinc/85/93/37/573859337.db2.gz SZIAQBZMZROOAH-VGOFMYFVSA-N 0 0 189.193 2.299 10 30 AEEERN C[C@H]1CC[C@H](C=O)CC1 101274716 573859349 /nfs/dbraw/zinc/85/93/49/573859349.db2.gz XZUAUDZGDPLDLH-OCAPTIKFSA-N 0 0 126.199 2.012 10 30 AEEERN N#CCNc1cccc2ncccc12 238547327 573859353 /nfs/dbraw/zinc/85/93/53/573859353.db2.gz UEGYPJALUGBMDA-UHFFFAOYSA-N 0 0 183.214 2.170 10 30 AEEERN Cn1c(CC=O)cc2c(F)cccc21 258158014 573858660 /nfs/dbraw/zinc/85/86/60/573858660.db2.gz LRBREIWVYONFFR-UHFFFAOYSA-N 0 0 191.205 2.059 10 30 AEEERN CO[C@H](CC=O)c1ccccc1C 257890381 573858670 /nfs/dbraw/zinc/85/86/70/573858670.db2.gz NIOOXYUAYJXLTC-LLVKDONJSA-N 0 0 178.231 2.272 10 30 AEEERN C=C(CCO)Cc1ccccc1C 258156429 573858780 /nfs/dbraw/zinc/85/87/80/573858780.db2.gz KQVVTZCULVICPQ-UHFFFAOYSA-N 0 0 176.259 2.476 10 30 AEEERN Cc1cccc([C@@H](C#N)c2ncc[nH]2)c1 259211089 573858805 /nfs/dbraw/zinc/85/88/05/573858805.db2.gz QYQBXBXOUUCVIB-LLVKDONJSA-N 0 0 197.241 2.374 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CO[C@@H](C2CC2)C1 715028382 573858841 /nfs/dbraw/zinc/85/88/41/573858841.db2.gz IZPHNNHERVAWPD-MVWJERBFSA-N 0 0 196.290 2.129 10 30 AEEERN Cc1ccc([C@@H]2OC2(C)C)o1 259213545 573858880 /nfs/dbraw/zinc/85/88/80/573858880.db2.gz IWKFFUKQINOADT-QMMMGPOBSA-N 0 0 152.193 2.438 10 30 AEEERN COc1ccccc1NC[C@H](C)S 197062701 573858905 /nfs/dbraw/zinc/85/89/05/573858905.db2.gz KYVGEBWOIJTVFK-QMMMGPOBSA-N 0 0 197.303 2.425 10 30 AEEERN C[C@H](C#N)[C@@H](O)/C=C\c1ccccc1 308456272 573859014 /nfs/dbraw/zinc/85/90/14/573859014.db2.gz XDMGPOSMCTYESI-ALPGUUAYSA-N 0 0 187.242 2.220 10 30 AEEERN N#CCNCC1CCCCCCC1 238547074 573859157 /nfs/dbraw/zinc/85/91/57/573859157.db2.gz UOSKKAGYTKUKFL-UHFFFAOYSA-N 0 0 180.295 2.460 10 30 AEEERN CC(C)(C)[C@H](C=O)C1CC1 238167313 573859171 /nfs/dbraw/zinc/85/91/71/573859171.db2.gz IQZPVOBEGALEFS-MRVPVSSYSA-N 0 0 140.226 2.258 10 30 AEEERN CCc1nsc(S[C@H](C)C#N)n1 87265397 573859226 /nfs/dbraw/zinc/85/92/26/573859226.db2.gz XYWNUKFZDCNVFA-RXMQYKEDSA-N 0 0 199.304 2.105 10 30 AEEERN C[C@@H](CC=O)c1cc(CO)ccc1F 258158003 573859228 /nfs/dbraw/zinc/85/92/28/573859228.db2.gz UUIOSHKPIVMBOM-QMMMGPOBSA-N 0 0 196.221 2.011 10 30 AEEERN Cc1c(C(F)F)c(CC#N)c[nH]c1=O 238547289 573861629 /nfs/dbraw/zinc/86/16/29/573861629.db2.gz HZPLYAAFUXMXDT-UHFFFAOYSA-N 0 0 198.172 2.099 10 30 AEEERN CC(C)c1nc2ccc(C#N)nc2o1 238169363 573861651 /nfs/dbraw/zinc/86/16/51/573861651.db2.gz SELZFRMKKAFKGY-UHFFFAOYSA-N 0 0 187.202 2.218 10 30 AEEERN CC(C)=C[C@H](O)C#C[Si](C)(C)C 238168945 573861735 /nfs/dbraw/zinc/86/17/35/573861735.db2.gz JLCAPOQGXDJLEC-SNVBAGLBSA-N 0 0 182.339 2.194 10 30 AEEERN COCCCCC(C)(C)C#N 131372746 573861779 /nfs/dbraw/zinc/86/17/79/573861779.db2.gz UEEYIYGNIUCGJS-UHFFFAOYSA-N 0 0 155.241 2.353 10 30 AEEERN C=CCC#CC[C@@H](O)C=C(C)C 238169253 573861851 /nfs/dbraw/zinc/86/18/51/573861851.db2.gz CSYJOEGOGGXAAW-LLVKDONJSA-N 0 0 164.248 2.283 10 30 AEEERN C=CC[C@H](C)[C@]1(CO)C[C@@H](C)O[C@H]1C 715030238 573861872 /nfs/dbraw/zinc/86/18/72/573861872.db2.gz QCDVKDSEWKHAPO-WHOHXGKFSA-N 0 0 198.306 2.375 10 30 AEEERN CC(=O)Cc1cc(C)c(C)c(C#N)c1 258165753 573862036 /nfs/dbraw/zinc/86/20/36/573862036.db2.gz VKNZJJKAWOZTEO-UHFFFAOYSA-N 0 0 187.242 2.307 10 30 AEEERN N#CCc1cc2cccnc2cc1F 238546781 573862108 /nfs/dbraw/zinc/86/21/08/573862108.db2.gz HBDXSUIMQPSPOH-UHFFFAOYSA-N 0 0 186.189 2.440 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1cnc(C)cn1 715029197 573862161 /nfs/dbraw/zinc/86/21/61/573862161.db2.gz LTUZZWJPHRKLEW-KWQFWETISA-N 0 0 192.262 2.031 10 30 AEEERN C/C=C/[C@H](O)CC(CCC)=NN(C)C 308457318 573862179 /nfs/dbraw/zinc/86/21/79/573862179.db2.gz YEVPBAHYVSALRV-HQZQNUHTSA-N 0 0 198.310 2.031 10 30 AEEERN C#C/C(=C\CCO)c1ccc(C)cc1 238547335 573862336 /nfs/dbraw/zinc/86/23/36/573862336.db2.gz FLKAKGCRIFIQNP-LFYBBSHMSA-N 0 0 186.254 2.394 10 30 AEEERN CCCCCCC[C@H](O)c1cn[nH]n1 127382600 573864979 /nfs/dbraw/zinc/86/49/79/573864979.db2.gz YPKZRVONFVDZID-JTQLQIEISA-N 0 0 197.282 2.199 10 30 AEEERN CC1(C)C[C@]1(C#N)c1ccccn1 259039483 573865023 /nfs/dbraw/zinc/86/50/23/573865023.db2.gz SPPSGKIXTDVPIM-NSHDSACASA-N 0 0 172.231 2.273 10 30 AEEERN Cc1ccc([C@H](C)C=O)cc1F 87285388 573865077 /nfs/dbraw/zinc/86/50/77/573865077.db2.gz HPNIPVAYYFXYBL-MRVPVSSYSA-N 0 0 166.195 2.437 10 30 AEEERN C=C1C[C@@H](O)O[C@@H](C=C(C)C)C1 238169929 573865090 /nfs/dbraw/zinc/86/50/90/573865090.db2.gz XLFVJWNYUWDNCZ-UWVGGRQHSA-N 0 0 168.236 2.006 10 30 AEEERN C=C=Nc1ncc(F)cc1C1CC1 238548779 573865188 /nfs/dbraw/zinc/86/51/88/573865188.db2.gz DHKQPIUDDAIVRT-UHFFFAOYSA-N 0 0 176.194 2.101 10 30 AEEERN CC1(C)C[C@@]1(C#N)c1ccccn1 259039479 573865276 /nfs/dbraw/zinc/86/52/76/573865276.db2.gz SPPSGKIXTDVPIM-LLVKDONJSA-N 0 0 172.231 2.273 10 30 AEEERN CC(C)(C#N)c1c[nH]c2c1CCC2 259576315 573865304 /nfs/dbraw/zinc/86/53/04/573865304.db2.gz DSOFAQWCUWXXNL-UHFFFAOYSA-N 0 0 174.247 2.305 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CO[C@H](C(C)C)C1 715029321 573865349 /nfs/dbraw/zinc/86/53/49/573865349.db2.gz PWXFEUBXIWLVFM-SRVKXCTJSA-N 0 0 198.306 2.375 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1cnc(C)cn1 715029195 573865422 /nfs/dbraw/zinc/86/54/22/573865422.db2.gz LTUZZWJPHRKLEW-KCJUWKMLSA-N 0 0 192.262 2.031 10 30 AEEERN CC(C)=C[C@H]1C[C@@H]1CC=O 238170501 573865507 /nfs/dbraw/zinc/86/55/07/573865507.db2.gz YXUCZIXYYBTZFO-IUCAKERBSA-N 0 0 138.210 2.178 10 30 AEEERN CC#CCCN(OC)C1CCCC1 308457976 573865574 /nfs/dbraw/zinc/86/55/74/573865574.db2.gz GQPGNSRQZHPYRG-UHFFFAOYSA-N 0 0 181.279 2.206 10 30 AEEERN COc1c(CCC=O)ccc(C)c1F 258165709 573865788 /nfs/dbraw/zinc/86/57/88/573865788.db2.gz VJUMLNSYBZGFJL-UHFFFAOYSA-N 0 0 196.221 2.274 10 30 AEEERN COc1ccc(F)c(NCCC#N)c1 87287151 573865960 /nfs/dbraw/zinc/86/59/60/573865960.db2.gz FTHBHLONSCABGW-UHFFFAOYSA-N 0 0 194.209 2.160 10 30 AEEERN CCCCCCCC(=O)c1cn[nH]n1 127381296 573866040 /nfs/dbraw/zinc/86/60/40/573866040.db2.gz RWXKQTWFBFUZIO-UHFFFAOYSA-N 0 0 195.266 2.348 10 30 AEEERN C=C[C@@H](CO)Nc1cc(C)cc(C)c1 238549385 573866079 /nfs/dbraw/zinc/86/60/79/573866079.db2.gz JANHJBPHCOPHNN-NSHDSACASA-N 0 0 191.274 2.262 10 30 AEEERN Cc1nc([C@H](C#N)C(C)C)[nH]c1C 258519299 573866160 /nfs/dbraw/zinc/86/61/60/573866160.db2.gz GWNMXAHELRBQAX-SECBINFHSA-N 0 0 177.251 2.290 10 30 AEEERN C=CC(=O)c1occ(C)c1C 238548635 573866178 /nfs/dbraw/zinc/86/61/78/573866178.db2.gz LZIRUTFHLDRHCP-UHFFFAOYSA-N 0 0 150.177 2.265 10 30 AEEERN N#Cc1cc(N)c2c(C#N)csc2c1 306733192 573866207 /nfs/dbraw/zinc/86/62/07/573866207.db2.gz MXTMZFDACPWGGL-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN N#Cc1cc2ccc(C#N)c(N)c2s1 306734422 573866214 /nfs/dbraw/zinc/86/62/14/573866214.db2.gz OEKNLJJXNZSTCY-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN Cc1ccc([C@@]2(C)CO2)cc1F 87285278 573866270 /nfs/dbraw/zinc/86/62/70/573866270.db2.gz GQSQMALMDGJFSM-SNVBAGLBSA-N 0 0 166.195 2.380 10 30 AEEERN CO[C@@](C)(C=O)Cc1ccccc1C 257889668 573866340 /nfs/dbraw/zinc/86/63/40/573866340.db2.gz WWNBECNHPPRJCR-GFCCVEGCSA-N 0 0 192.258 2.142 10 30 AEEERN CC(C)=C[C@@H](O)C#Cc1ccccc1 238162084 573866545 /nfs/dbraw/zinc/86/65/45/573866545.db2.gz LHCZPCFXFWLRER-ZDUSSCGKSA-N 0 0 186.254 2.365 10 30 AEEERN N#CC(NCC1CC1)(C1CC1)C1CC1 308459124 573866441 /nfs/dbraw/zinc/86/64/41/573866441.db2.gz FTMUZLKYEYIDOB-UHFFFAOYSA-N 0 0 190.290 2.068 10 30 AEEERN Cc1ccc([C@]2(C)CO2)cc1F 87285277 573866476 /nfs/dbraw/zinc/86/64/76/573866476.db2.gz GQSQMALMDGJFSM-JTQLQIEISA-N 0 0 166.195 2.380 10 30 AEEERN CC(C)=C[C@@H](O)C#C[Si](C)(C)C 238162047 573866513 /nfs/dbraw/zinc/86/65/13/573866513.db2.gz JLCAPOQGXDJLEC-JTQLQIEISA-N 0 0 182.339 2.194 10 30 AEEERN Cn1cc(CS)c2c(O)cccc21 258439441 573865697 /nfs/dbraw/zinc/86/56/97/573865697.db2.gz CNIVEHXMYCTQJW-UHFFFAOYSA-N 0 0 193.271 2.314 10 30 AEEERN C/C=C\CNc1ccc(C#N)c(C#N)c1 308773084 573866565 /nfs/dbraw/zinc/86/65/65/573866565.db2.gz VYWUOOLHTBWBFX-IHWYPQMZSA-N 0 0 197.241 2.418 10 30 AEEERN COc1cc2nccc(C)c2cc1C#N 222375260 573866635 /nfs/dbraw/zinc/86/66/35/573866635.db2.gz GUIGEMPCRJAWQF-UHFFFAOYSA-N 0 0 198.225 2.424 10 30 AEEERN C=CC[C@H](C)[C@H](O)[C@@H]1CCOC1(C)C 715030989 573866639 /nfs/dbraw/zinc/86/66/39/573866639.db2.gz TWVZZPHYTDTRJX-DCAQKATOSA-N 0 0 198.306 2.375 10 30 AEEERN C=CC[C@H](C)[C@]1(O)CO[C@@H](C(C)C)C1 715029316 573866646 /nfs/dbraw/zinc/86/66/46/573866646.db2.gz PWXFEUBXIWLVFM-QJPTWQEYSA-N 0 0 198.306 2.375 10 30 AEEERN Cc1ccc2oncc2c1C#N 238540313 573866658 /nfs/dbraw/zinc/86/66/58/573866658.db2.gz NRQVFGRKCCUXRN-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN C[C@@]1(c2cc(F)cc(F)c2)CO1 87283266 573866733 /nfs/dbraw/zinc/86/67/33/573866733.db2.gz LSASSXTUMQPVPS-VIFPVBQESA-N 0 0 170.158 2.210 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)c1cnc(C)cn1 715029199 573866759 /nfs/dbraw/zinc/86/67/59/573866759.db2.gz LTUZZWJPHRKLEW-LDYMZIIASA-N 0 0 192.262 2.031 10 30 AEEERN Cc1ccc([C@](C)(O)CC#N)cc1F 87285522 573866777 /nfs/dbraw/zinc/86/67/77/573866777.db2.gz DWVJYQUYFINORZ-LLVKDONJSA-N 0 0 193.221 2.255 10 30 AEEERN CC[C@H]1CCCC[C@H]1OCC=O 43803652 573866847 /nfs/dbraw/zinc/86/68/47/573866847.db2.gz JQGWZWZNHAOBJE-VHSXEESVSA-N 0 0 170.252 2.171 10 30 AEEERN O=CCC1=Cc2cc(F)c(F)cc2C1 238540651 573866855 /nfs/dbraw/zinc/86/68/55/573866855.db2.gz KPMIXLICTUDIMF-UHFFFAOYSA-N 0 0 194.180 2.493 10 30 AEEERN C=CC[C@H](C)[C@@H](O)[C@H]1CCOC1(C)C 715030992 573866864 /nfs/dbraw/zinc/86/68/64/573866864.db2.gz TWVZZPHYTDTRJX-HBNTYKKESA-N 0 0 198.306 2.375 10 30 AEEERN C=CC[C@H](C)C1(CO)CCC(O)CC1 715030877 573867011 /nfs/dbraw/zinc/86/70/11/573867011.db2.gz SLSOIAIRNZPJJQ-UNXYVOJBSA-N 0 0 198.306 2.112 10 30 AEEERN Cc1noc(C#N)c1-c1ccoc1C 259577017 573867038 /nfs/dbraw/zinc/86/70/38/573867038.db2.gz YNDDXYZGNOSFKX-UHFFFAOYSA-N 0 0 188.186 2.423 10 30 AEEERN COc1ccc(F)c(N[C@H](C)C#N)c1 87287104 573867149 /nfs/dbraw/zinc/86/71/49/573867149.db2.gz NVKNJJLNAJHBSI-SSDOTTSWSA-N 0 0 194.209 2.158 10 30 AEEERN C=C=C(C)C(=O)c1ccco1 238162816 573867183 /nfs/dbraw/zinc/86/71/83/573867183.db2.gz LYILPPKHKLRNRN-UHFFFAOYSA-N 0 0 148.161 2.194 10 30 AEEERN C[C@](F)(C=O)c1cccs1 258440917 573867187 /nfs/dbraw/zinc/86/71/87/573867187.db2.gz FAYVGNJPVLKDJL-ZETCQYMHSA-N 0 0 158.197 2.132 10 30 AEEERN CC1=CC=CC2=CC(=O)C(C)(C)N12 238548887 573867192 /nfs/dbraw/zinc/86/71/92/573867192.db2.gz QRJLTEYYMOMLQR-UHFFFAOYSA-N 0 0 175.231 2.007 10 30 AEEERN CCCCCCCC(=O)N(C)C#N 393566067 573867245 /nfs/dbraw/zinc/86/72/45/573867245.db2.gz RVCNDKPTSAWVMD-UHFFFAOYSA-N 0 0 182.267 2.286 10 30 AEEERN C[C@]1(c2cc(F)cc(F)c2)CO1 87283264 573867313 /nfs/dbraw/zinc/86/73/13/573867313.db2.gz LSASSXTUMQPVPS-SECBINFHSA-N 0 0 170.158 2.210 10 30 AEEERN CC(C)=C[C@@H]1[C@@H](C/C(N)=N/O)C1(C)C 238165682 573876427 /nfs/dbraw/zinc/87/64/27/573876427.db2.gz DAXWENFRURVPHP-RKDXNWHRSA-N 0 0 196.294 2.361 10 30 AEEERN CN[C@@H](C#N)c1ccc(C)c(C)c1C 259217598 573876462 /nfs/dbraw/zinc/87/64/62/573876462.db2.gz FZKXCHCYYCBGGT-LBPRGKRZSA-N 0 0 188.274 2.396 10 30 AEEERN CC(C)/C=N\[C@@H](CO)c1ccccc1 308460548 573875744 /nfs/dbraw/zinc/87/57/44/573875744.db2.gz KSUPUKGJXGHKJX-OEMOTLHWSA-N 0 0 191.274 2.447 10 30 AEEERN CC(C)C[C@@H]1[C@H](O)CC[C@@]1(C)C#N 238164476 573875762 /nfs/dbraw/zinc/87/57/62/573875762.db2.gz TUYBRVWTANMGEN-MXWKQRLJSA-N 0 0 181.279 2.333 10 30 AEEERN C=CC[C@@H](C)NOCC(F)(F)F 715038385 573875776 /nfs/dbraw/zinc/87/57/76/573875776.db2.gz IDXWUQGNDJNNSC-ZCFIWIBFSA-N 0 0 183.173 2.035 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1cccnc1 715037626 573875960 /nfs/dbraw/zinc/87/59/60/573875960.db2.gz SFLVVHWEKIKNJU-KOLCDFICSA-N 0 0 177.247 2.327 10 30 AEEERN N#CCc1cc(F)ncc1C(F)F 238551868 573875979 /nfs/dbraw/zinc/87/59/79/573875979.db2.gz AOCBCWOBYLODMF-UHFFFAOYSA-N 0 0 186.136 2.224 10 30 AEEERN N#CCc1cc2c(cn1)CCCC2 238552047 573876021 /nfs/dbraw/zinc/87/60/21/573876021.db2.gz WTDXQUMUXSYRCB-UHFFFAOYSA-N 0 0 172.231 2.026 10 30 AEEERN C=CC[C@@H](C)[N@@H+](CC(=O)[O-])[C@H](C)CC 715038762 573876175 /nfs/dbraw/zinc/87/61/75/573876175.db2.gz WWMVQVWQLDJVDT-NXEZZACHSA-N 0 0 199.294 2.136 10 30 AEEERN O=C[C@@]1(F)CCCc2ccccc21 238551768 573876312 /nfs/dbraw/zinc/87/63/12/573876312.db2.gz JXYXXZKUXODEFD-NSHDSACASA-N 0 0 178.206 2.387 10 30 AEEERN CN1CC[C@@H](C#N)[C@H]1c1cccs1 259624631 573876344 /nfs/dbraw/zinc/87/63/44/573876344.db2.gz HMKNRCRZRYBDKR-WPRPVWTQSA-N 0 0 192.287 2.264 10 30 AEEERN C=C[C@@H](NN)c1ccc(C)cc1Cl 235755797 573876357 /nfs/dbraw/zinc/87/63/57/573876357.db2.gz QVUNZYYIXSVGKC-SNVBAGLBSA-N 0 0 196.681 2.339 10 30 AEEERN Cc1cscc1CN[C@@H](C)C#N 87310640 573876358 /nfs/dbraw/zinc/87/63/58/573876358.db2.gz RFLUIJOYLIODHX-QMMMGPOBSA-N 0 0 180.276 2.058 10 30 AEEERN O=C[C@@H]1CCc2cccc(F)c21 238551187 573878153 /nfs/dbraw/zinc/87/81/53/573878153.db2.gz WGHNKNBLTQYFLC-QMMMGPOBSA-N 0 0 164.179 2.054 10 30 AEEERN O=C1CCc2ccc(CS)cc21 80172512 573878236 /nfs/dbraw/zinc/87/82/36/573878236.db2.gz ZHRGSPXWPDSAFW-UHFFFAOYSA-N 0 0 178.256 2.245 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CO[C@H](CC)C1 715039611 573878253 /nfs/dbraw/zinc/87/82/53/573878253.db2.gz XZCWJWBLZLVEKG-AXFHLTTASA-N 0 0 184.279 2.129 10 30 AEEERN CC1=CC(=O)[C@H](C(C)C)[C@@H]1C 238176631 573878280 /nfs/dbraw/zinc/87/82/80/573878280.db2.gz YIJKIOIFSFMCOT-PSASIEDQSA-N 0 0 152.237 2.424 10 30 AEEERN C=C(C)C[C@@H](NN)C1(CCC)CC1 393567714 573878304 /nfs/dbraw/zinc/87/83/04/573878304.db2.gz OWGHNKDHMLTXSS-SNVBAGLBSA-N 0 0 182.311 2.365 10 30 AEEERN CC(C)Cc1ccc([C@H](N)C#N)cc1 87315248 573878345 /nfs/dbraw/zinc/87/83/45/573878345.db2.gz PTQWBFFYPVWBAV-GFCCVEGCSA-N 0 0 188.274 2.408 10 30 AEEERN N#Cc1ccc2c(N)c(C#N)sc2c1 306757273 573878397 /nfs/dbraw/zinc/87/83/97/573878397.db2.gz SHMORTGZPAREGG-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CC(C)(O)CC1=CC[C@@H](C=O)CC1 238176149 573878479 /nfs/dbraw/zinc/87/84/79/573878479.db2.gz WFRKRDWCFHPKPN-SNVBAGLBSA-N 0 0 182.263 2.073 10 30 AEEERN CCC#CC[C@H]1C(=O)CC[C@@H]1C 238176020 573878565 /nfs/dbraw/zinc/87/85/65/573878565.db2.gz DQNMHWWIUXKOBG-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN C=CC[C@H](C)[C@@]1(O)CO[C@@H](CC)C1 715039612 573878577 /nfs/dbraw/zinc/87/85/77/573878577.db2.gz XZCWJWBLZLVEKG-DCAQKATOSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1ccsc1CN[C@H](C)C#N 87309855 573878669 /nfs/dbraw/zinc/87/86/69/573878669.db2.gz WDRBDNVCYHGBMJ-MRVPVSSYSA-N 0 0 180.276 2.058 10 30 AEEERN CCC#CC[C@H]1C(=O)CC[C@H]1C 238176134 573878704 /nfs/dbraw/zinc/87/87/04/573878704.db2.gz DQNMHWWIUXKOBG-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1cncn1CC 715046951 573884656 /nfs/dbraw/zinc/88/46/56/573884656.db2.gz QJDQGHZPYXBASL-GXSJLCMTSA-N 0 0 194.278 2.149 10 30 AEEERN C=CCN1CCC(C)(C)[C@@H](C#N)C1 259220742 573884657 /nfs/dbraw/zinc/88/46/57/573884657.db2.gz KFZZYKOEKOCLOD-JTQLQIEISA-N 0 0 178.279 2.044 10 30 AEEERN N#Cc1ccc2nc(Cl)cnc2c1 115082562 573884719 /nfs/dbraw/zinc/88/47/19/573884719.db2.gz KVYFAZZUKRBQDA-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN Cc1ccc(C(=O)[C@@H](C)C#N)c(F)c1 87331691 573884041 /nfs/dbraw/zinc/88/40/41/573884041.db2.gz CDSKKOHMNCATNW-QMMMGPOBSA-N 0 0 191.205 2.477 10 30 AEEERN Cn1ccnc1[C@@H](C#N)c1ccccc1 258985526 573884044 /nfs/dbraw/zinc/88/40/44/573884044.db2.gz AGTXLIPUXNAUTF-NSHDSACASA-N 0 0 197.241 2.076 10 30 AEEERN COCn1ccc2cc(C#N)ccc21 234721718 573884131 /nfs/dbraw/zinc/88/41/31/573884131.db2.gz WAHBODGAMIIYBB-UHFFFAOYSA-N 0 0 186.214 2.117 10 30 AEEERN Cc1c[nH]c(C)c1[C@@H]1CC1(C#N)C#N 238554377 573884180 /nfs/dbraw/zinc/88/41/80/573884180.db2.gz IDCOMCZJSUTEGT-VIFPVBQESA-N 0 0 185.230 2.152 10 30 AEEERN N#Cc1cc(F)ccc1C1(C#N)CC1 238554759 573884242 /nfs/dbraw/zinc/88/42/42/573884242.db2.gz SSTBHIHSMMJQSJ-UHFFFAOYSA-N 0 0 186.189 2.253 10 30 AEEERN CCC[C@H](C#N)C(=O)C(C)C 84426747 573884255 /nfs/dbraw/zinc/88/42/55/573884255.db2.gz BKMDVFNDSGOGHI-MRVPVSSYSA-N 0 0 153.225 2.151 10 30 AEEERN C=C(CC=O)CCCC 101977336 573884410 /nfs/dbraw/zinc/88/44/10/573884410.db2.gz HVMMRMUADDRFPW-UHFFFAOYSA-N 0 0 126.199 2.322 10 30 AEEERN Cc1ccc(C(=O)CC#N)c(F)c1 87331675 573884522 /nfs/dbraw/zinc/88/45/22/573884522.db2.gz PINSKQJMNNVYOY-UHFFFAOYSA-N 0 0 177.178 2.231 10 30 AEEERN N#Cc1ccc2occc2c1F 238555473 573885930 /nfs/dbraw/zinc/88/59/30/573885930.db2.gz YNXILNHFOHGCTC-UHFFFAOYSA-N 0 0 161.135 2.444 10 30 AEEERN CCC1(C=O)CCCC1 84425925 573885931 /nfs/dbraw/zinc/88/59/31/573885931.db2.gz CWWPJCWIEQPXRF-UHFFFAOYSA-N 0 0 126.199 2.156 10 30 AEEERN C=C[C@]1(C)CO[C@](C)(CC)O1 222768863 573886044 /nfs/dbraw/zinc/88/60/44/573886044.db2.gz NHIBFGBOXZMYQP-BDAKNGLRSA-N 0 0 156.225 2.104 10 30 AEEERN N#Cc1cc(Cl)cnc1C1CC1 238555294 573886172 /nfs/dbraw/zinc/88/61/72/573886172.db2.gz GKNQISSPATZQKO-UHFFFAOYSA-N 0 0 178.622 2.484 10 30 AEEERN C=CC[C@@H](C)[C@@H](O)CC(C)(C)OC 715044234 573886234 /nfs/dbraw/zinc/88/62/34/573886234.db2.gz VBLDAKFNLOTPKT-ZJUUUORDSA-N 0 0 186.295 2.375 10 30 AEEERN N#Cc1ccc2cnsc2c1F 238555366 573886251 /nfs/dbraw/zinc/88/62/51/573886251.db2.gz AFEWVARAKWVFSU-UHFFFAOYSA-N 0 0 178.191 2.307 10 30 AEEERN CCC[C@@H](C#N)C(=O)C(C)C 84426746 573886318 /nfs/dbraw/zinc/88/63/18/573886318.db2.gz BKMDVFNDSGOGHI-QMMMGPOBSA-N 0 0 153.225 2.151 10 30 AEEERN C=CC[C@H](C)C1(O)CC(OCC)C1 715044324 573886344 /nfs/dbraw/zinc/88/63/44/573886344.db2.gz VEVSMDCIDDSXMD-WHXUTIOJSA-N 0 0 184.279 2.129 10 30 AEEERN Cc1cc(-c2occc2C#N)no1 259579661 573886350 /nfs/dbraw/zinc/88/63/50/573886350.db2.gz DZIMSQQCWFTFHC-UHFFFAOYSA-N 0 0 174.159 2.115 10 30 AEEERN N#Cc1cc2c3c(c[nH]c-2n1)CCCC3 259220005 573886409 /nfs/dbraw/zinc/88/64/09/573886409.db2.gz BFPJWZWKVDOOQG-UHFFFAOYSA-N 0 0 197.241 2.313 10 30 AEEERN CC(C)(C)[C@H](O)CCCS 238179269 573886410 /nfs/dbraw/zinc/88/64/10/573886410.db2.gz UOHUSPQBXGALMR-SSDOTTSWSA-N 0 0 162.298 2.103 10 30 AEEERN C=CC[C@@H](C)[C@@](O)(COC)C(C)C 715043789 573886442 /nfs/dbraw/zinc/88/64/42/573886442.db2.gz PLZOKGJYFWAWDH-GHMZBOCLSA-N 0 0 186.295 2.232 10 30 AEEERN N#Cc1ccc(O)c2c1CC(=O)S2 307126815 573886492 /nfs/dbraw/zinc/88/64/92/573886492.db2.gz MLIHZAKGHBOHJH-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN N#CCCC1(C2CCC2)COC1 259219238 573886582 /nfs/dbraw/zinc/88/65/82/573886582.db2.gz LSTLCRVJWHLGLH-UHFFFAOYSA-N 0 0 165.236 2.107 10 30 AEEERN C=CC[C@@H](C)[C@H](O)CC(C)(C)OC 715044231 573886599 /nfs/dbraw/zinc/88/65/99/573886599.db2.gz VBLDAKFNLOTPKT-NXEZZACHSA-N 0 0 186.295 2.375 10 30 AEEERN C[C@H]1C[C@]1(C#N)c1ccccc1 76592383 573890165 /nfs/dbraw/zinc/89/01/65/573890165.db2.gz MONJODNFHURZOR-GXSJLCMTSA-N 0 0 157.216 2.488 10 30 AEEERN C[C@H](CC=O)Oc1ccccc1 144997343 573890181 /nfs/dbraw/zinc/89/01/81/573890181.db2.gz PDVCBHIMHPJAMV-SECBINFHSA-N 0 0 164.204 2.043 10 30 AEEERN C=CC[C@H](C)[C@H](O)c1cncn1CC 715046974 573890575 /nfs/dbraw/zinc/89/05/75/573890575.db2.gz QJDQGHZPYXBASL-ONGXEEELSA-N 0 0 194.278 2.149 10 30 AEEERN C=CC[C@@H](C)[C@H](O)c1ccnc(C)n1 715047871 573890663 /nfs/dbraw/zinc/89/06/63/573890663.db2.gz VQYVHOQIKSDWLY-KCJUWKMLSA-N 0 0 192.262 2.031 10 30 AEEERN C[C@@]1(C#N)C[C@H]1C1CCC1 258987114 573890706 /nfs/dbraw/zinc/89/07/06/573890706.db2.gz KRHCVPBHXJEFRH-IUCAKERBSA-N 0 0 135.210 2.336 10 30 AEEERN C[C@@]1(C#N)C[C@@H]1C1CCC1 258987107 573890725 /nfs/dbraw/zinc/89/07/25/573890725.db2.gz KRHCVPBHXJEFRH-BDAKNGLRSA-N 0 0 135.210 2.336 10 30 AEEERN C[C@@H]1CCO[C@H]1C(=O)C1=CCCCC1 123009560 573890742 /nfs/dbraw/zinc/89/07/42/573890742.db2.gz RROKWNDBQCRRGV-BXKDBHETSA-N 0 0 194.274 2.481 10 30 AEEERN CC(=C=CC(C)C)C=O 238181015 573890767 /nfs/dbraw/zinc/89/07/67/573890767.db2.gz XOEPUDKCUKNVIP-SOFGYWHQSA-N 0 0 124.183 2.108 10 30 AEEERN C[C@H](CC=O)c1cccc2c1OCC2 258173697 573891551 /nfs/dbraw/zinc/89/15/51/573891551.db2.gz WAOMWTWUFITHGH-SECBINFHSA-N 0 0 190.242 2.314 10 30 AEEERN CCC[C@H]1CCCN([C@H](C)C#N)C1 306359242 573891589 /nfs/dbraw/zinc/89/15/89/573891589.db2.gz KZQPBVHPSVGLBG-MNOVXSKESA-N 0 0 180.295 2.411 10 30 AEEERN C=C1CC[C@H](CCO)C1(C)C 197116302 573890980 /nfs/dbraw/zinc/89/09/80/573890980.db2.gz WBHCKTOVJQYUQV-SECBINFHSA-N 0 0 154.253 2.361 10 30 AEEERN N#C[C@H]1CCCc2ccncc21 238562610 573891005 /nfs/dbraw/zinc/89/10/05/573891005.db2.gz UYEIHDNBEVOYSB-SECBINFHSA-N 0 0 158.204 2.025 10 30 AEEERN N#C[C@H]1CCCc2cnccc21 238562627 573891029 /nfs/dbraw/zinc/89/10/29/573891029.db2.gz HBQXJBDOLIVWLV-MRVPVSSYSA-N 0 0 158.204 2.025 10 30 AEEERN C[C@@H]1CCO[C@@H]1C(=O)C1=CCCC1 123009951 573891121 /nfs/dbraw/zinc/89/11/21/573891121.db2.gz KYTTUCXRXZDSNG-KCJUWKMLSA-N 0 0 180.247 2.091 10 30 AEEERN C=C1C[C@]2(C(C)=O)CCC[C@H]12 238186743 573891138 /nfs/dbraw/zinc/89/11/38/573891138.db2.gz OWVFHTRWIABDBS-ZJUUUORDSA-N 0 0 150.221 2.322 10 30 AEEERN C=C(CC[C@@H](C)NC(N)=O)C(C)C 238183860 573891201 /nfs/dbraw/zinc/89/12/01/573891201.db2.gz SZMRLONHDNLWSK-SECBINFHSA-N 0 0 184.283 2.036 10 30 AEEERN C=CC[C@]1(C(C)=O)C=CCCC1=O 238184402 573891223 /nfs/dbraw/zinc/89/12/23/573891223.db2.gz VXALTSKQMYKPCN-LLVKDONJSA-N 0 0 178.231 2.057 10 30 AEEERN Cc1nc([C@@H](C#N)C(C)C)[nH]c1C 258519303 573891227 /nfs/dbraw/zinc/89/12/27/573891227.db2.gz GWNMXAHELRBQAX-VIFPVBQESA-N 0 0 177.251 2.290 10 30 AEEERN C[C@H]1CCO[C@@H]1C(=O)C1=CCCCC1 123009369 573891260 /nfs/dbraw/zinc/89/12/60/573891260.db2.gz RROKWNDBQCRRGV-CABZTGNLSA-N 0 0 194.274 2.481 10 30 AEEERN CC(C)Oc1ccnc(Cl)c1C#N 150081320 573891278 /nfs/dbraw/zinc/89/12/78/573891278.db2.gz CFFOYNJFRSBGQE-UHFFFAOYSA-N 0 0 196.637 2.394 10 30 AEEERN Cc1cccc2cc([C@H](N)C#N)cnc12 259577606 573891303 /nfs/dbraw/zinc/89/13/03/573891303.db2.gz JVVVRFBGSQODFV-LLVKDONJSA-N 0 0 197.241 2.067 10 30 AEEERN N#Cc1cccc(NCc2cnco2)c1 84413295 573891415 /nfs/dbraw/zinc/89/14/15/573891415.db2.gz IKFWMRDACWMCEZ-UHFFFAOYSA-N 0 0 199.213 2.158 10 30 AEEERN CN[C@H](c1cc[nH]c1)[C@@H](C#N)C(C)C 259224845 573898721 /nfs/dbraw/zinc/89/87/21/573898721.db2.gz MHNSRYIAYPPGIB-WDEREUQCSA-N 0 0 191.278 2.071 10 30 AEEERN Cc1ccccc1-c1n[nH]cc1C#N 84447831 573898772 /nfs/dbraw/zinc/89/87/72/573898772.db2.gz RMOMIEUCIXWSCV-UHFFFAOYSA-N 0 0 183.214 2.257 10 30 AEEERN C=C[C@@H](NN)c1ccc(Cl)cc1C 235761123 573898775 /nfs/dbraw/zinc/89/87/75/573898775.db2.gz WBFHAUHODFTDBB-SNVBAGLBSA-N 0 0 196.681 2.339 10 30 AEEERN N#C[C@@]12CCCCC[C@H]1C2 259583737 573898831 /nfs/dbraw/zinc/89/88/31/573898831.db2.gz KNPKQLVKUSSQOG-IUCAKERBSA-N 0 0 135.210 2.480 10 30 AEEERN N#Cc1c[nH]nc1C1CCCCC1 84444170 573898933 /nfs/dbraw/zinc/89/89/33/573898933.db2.gz WTSLSXOXEWWSGQ-UHFFFAOYSA-N 0 0 175.235 2.329 10 30 AEEERN CCO[C@@](C)(C#N)C1(C)CC1 87368916 573899078 /nfs/dbraw/zinc/89/90/78/573899078.db2.gz XSVASKWJWYENPL-VIFPVBQESA-N 0 0 153.225 2.105 10 30 AEEERN CC1([C@@](C)(Cl)C#N)CC1 87366995 573899233 /nfs/dbraw/zinc/89/92/33/573899233.db2.gz OFVFRSOXGUJACD-ZETCQYMHSA-N 0 0 143.617 2.308 10 30 AEEERN Cc1cc2c(cc1[C@H]1O[C@@H]1C)OCO2 259224013 573899239 /nfs/dbraw/zinc/89/92/39/573899239.db2.gz JJLAQQBJYJPWQC-HQJQHLMTSA-N 0 0 192.214 2.184 10 30 AEEERN N#Cc1cnoc1-c1cccc(F)c1 84450903 573899344 /nfs/dbraw/zinc/89/93/44/573899344.db2.gz GWRZOTUQWZEEEX-UHFFFAOYSA-N 0 0 188.161 2.352 10 30 AEEERN CC(C)Cc1ncc(CC=O)s1 259226739 573899369 /nfs/dbraw/zinc/89/93/69/573899369.db2.gz MCWWTDJTXINTOX-UHFFFAOYSA-N 0 0 183.276 2.083 10 30 AEEERN CC[C@@](C)(C#N)[C@](C)(O)C1(C)CC1 87369095 573899390 /nfs/dbraw/zinc/89/93/90/573899390.db2.gz VELIOOKKQSDURR-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN CC[C@](C)(C#N)[C@@](C)(O)C1(C)CC1 87369102 573899404 /nfs/dbraw/zinc/89/94/04/573899404.db2.gz VELIOOKKQSDURR-MWLCHTKSSA-N 0 0 181.279 2.477 10 30 AEEERN CCC[C@H](C#N)OC(=O)[C@H](C)CC 308460904 573899412 /nfs/dbraw/zinc/89/94/12/573899412.db2.gz HLQOIVSNRWJMHG-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN CCN(CC)[C@@](C)(C#N)C1(C)CC1 87366452 573901013 /nfs/dbraw/zinc/90/10/13/573901013.db2.gz FRPIBTYYKUVBNP-NSHDSACASA-N 0 0 180.295 2.411 10 30 AEEERN CC(C)(C#N)[C@](C)(O)C1(C)CC1 87369220 573901059 /nfs/dbraw/zinc/90/10/59/573901059.db2.gz PJMXGCBNSQZBKJ-JTQLQIEISA-N 0 0 167.252 2.087 10 30 AEEERN CC[C@](C)(C#N)[C@](C)(O)C1(C)CC1 87369097 573901125 /nfs/dbraw/zinc/90/11/25/573901125.db2.gz VELIOOKKQSDURR-KOLCDFICSA-N 0 0 181.279 2.477 10 30 AEEERN C/C=C/CCNc1ccc(C#N)cn1 135473423 573901341 /nfs/dbraw/zinc/90/13/41/573901341.db2.gz JTGIAKCKBIPXJV-NSCUHMNNSA-N 0 0 187.246 2.331 10 30 AEEERN N#C[C@@]12CCCCC[C@@H]1C2 259583729 573901361 /nfs/dbraw/zinc/90/13/61/573901361.db2.gz KNPKQLVKUSSQOG-BDAKNGLRSA-N 0 0 135.210 2.480 10 30 AEEERN C#CCC1=CCC(C)(C)C[C@@H]1O 238190921 573901369 /nfs/dbraw/zinc/90/13/69/573901369.db2.gz XPGXBBAJJIZHLB-JTQLQIEISA-N 0 0 164.248 2.117 10 30 AEEERN Cc1cc(C)c(C)c([C@H](N)C#N)c1C 258997795 573901519 /nfs/dbraw/zinc/90/15/19/573901519.db2.gz GPCYYXOZCODZGH-LLVKDONJSA-N 0 0 188.274 2.444 10 30 AEEERN C#CCC1=CCC(C)(C)CC1=O 238190897 573901521 /nfs/dbraw/zinc/90/15/21/573901521.db2.gz KNCVLMJYCZLQPR-UHFFFAOYSA-N 0 0 162.232 2.325 10 30 AEEERN CCCCCN(C)[C@H](C)C#N 44427517 573901522 /nfs/dbraw/zinc/90/15/22/573901522.db2.gz ZTGJHGCEIPNXCZ-SECBINFHSA-N 0 0 154.257 2.020 10 30 AEEERN C=CCN(C)c1ccc(C(C)=O)o1 131575398 573901551 /nfs/dbraw/zinc/90/15/51/573901551.db2.gz LPCJEWLPJOYQLL-UHFFFAOYSA-N 0 0 179.219 2.104 10 30 AEEERN CC1(C)C(=CN)C(=O)c2ccccc21 238191601 573903420 /nfs/dbraw/zinc/90/34/20/573903420.db2.gz BBSQRPZEGRKLRP-JXMROGBWSA-N 0 0 187.242 2.003 10 30 AEEERN Cc1ccc(F)cc1[C@@H](O)CC#N 235782253 573902737 /nfs/dbraw/zinc/90/27/37/573902737.db2.gz DZBCVDMHBAUQOS-JTQLQIEISA-N 0 0 179.194 2.081 10 30 AEEERN Cc1cc(C#N)cc(C(C)(C)O)c1C 258176698 573902781 /nfs/dbraw/zinc/90/27/81/573902781.db2.gz WINBESJABGUBDN-UHFFFAOYSA-N 0 0 189.258 2.403 10 30 AEEERN CC1(C)CC=C[C@@H](C=O)C1 238191838 573902784 /nfs/dbraw/zinc/90/27/84/573902784.db2.gz BNIKVUVAFPZHJG-MRVPVSSYSA-N 0 0 138.210 2.178 10 30 AEEERN CCc1ccc([C@@H](CC#N)NC)cc1 259225177 573902860 /nfs/dbraw/zinc/90/28/60/573902860.db2.gz GGIXCRIPBRPNKN-GFCCVEGCSA-N 0 0 188.274 2.423 10 30 AEEERN CC(C)(C#N)Cc1nccs1 87398136 573902878 /nfs/dbraw/zinc/90/28/78/573902878.db2.gz JRGDSEVKYPNMBX-UHFFFAOYSA-N 0 0 166.249 2.235 10 30 AEEERN CC1(C)CC=C[C@H](C=O)C1 238192406 573902921 /nfs/dbraw/zinc/90/29/21/573902921.db2.gz BNIKVUVAFPZHJG-QMMMGPOBSA-N 0 0 138.210 2.178 10 30 AEEERN N#CCc1ccc2c(c1)SCCN2 259225448 573903059 /nfs/dbraw/zinc/90/30/59/573903059.db2.gz OUCWRUNOOCFSKI-UHFFFAOYSA-N 0 0 190.271 2.270 10 30 AEEERN N#Cc1cnc2c(Cl)cccc2n1 306778739 573903129 /nfs/dbraw/zinc/90/31/29/573903129.db2.gz RUOYSTREMBFISE-UHFFFAOYSA-N 0 0 189.605 2.155 10 30 AEEERN C=CC[C@H]1CC(=O)C(C)=C1C 238193032 573903130 /nfs/dbraw/zinc/90/31/30/573903130.db2.gz STDFTUVAJCFNGZ-VIFPVBQESA-N 0 0 150.221 2.488 10 30 AEEERN CC1(C)O[C@]2(C)CC[C@H]1[C@@H](C=O)C2 238192369 573903136 /nfs/dbraw/zinc/90/31/36/573903136.db2.gz PRKCHVXLIPTCFU-WCABBAIRSA-N 0 0 182.263 2.169 10 30 AEEERN C=CC[C@@H]1CC(=O)C(C)=C1C 238193133 573903152 /nfs/dbraw/zinc/90/31/52/573903152.db2.gz STDFTUVAJCFNGZ-SECBINFHSA-N 0 0 150.221 2.488 10 30 AEEERN Cc1nc(CCC#N)sc1C 87395774 573903319 /nfs/dbraw/zinc/90/33/19/573903319.db2.gz IZFHTMQUXCHCMI-UHFFFAOYSA-N 0 0 166.249 2.216 10 30 AEEERN Oc1ccc(CCCS)cc1 80646084 573903379 /nfs/dbraw/zinc/90/33/79/573903379.db2.gz GLCPHTWKDVPOOV-UHFFFAOYSA-N 0 0 168.261 2.255 10 30 AEEERN CN[C@H](S)c1ccc(C)c(C)c1 259584398 573903389 /nfs/dbraw/zinc/90/33/89/573903389.db2.gz XKRSNXXGWQNIPE-SNVBAGLBSA-N 0 0 181.304 2.451 10 30 AEEERN C=CC[C@H](C)[C@@H](O)c1nc(C)c(C)[nH]1 715055776 573906927 /nfs/dbraw/zinc/90/69/27/573906927.db2.gz YTBBERPFYGNCQA-OIBJUYFYSA-N 0 0 194.278 2.272 10 30 AEEERN C=C1C(=O)C(C)(C)SC1(C)C 238193183 573903407 /nfs/dbraw/zinc/90/34/07/573903407.db2.gz BYLFZPNVGWRLFB-UHFFFAOYSA-N 0 0 170.277 2.416 10 30 AEEERN N#CC1(Cc2nccs2)CCC1 87398151 573903411 /nfs/dbraw/zinc/90/34/11/573903411.db2.gz RAQBFPMKTXOQTE-UHFFFAOYSA-N 0 0 178.260 2.379 10 30 AEEERN CCCCC(=O)N(CCC#N)C1CC1 44410934 573907055 /nfs/dbraw/zinc/90/70/55/573907055.db2.gz MHQFMSKJZZMXLN-UHFFFAOYSA-N 0 0 194.278 2.081 10 30 AEEERN C=C[C@H]1CC(=O)C(C)(C)S1 238194788 573907072 /nfs/dbraw/zinc/90/70/72/573907072.db2.gz PNRRDFDDHJQCAE-LURJTMIESA-N 0 0 156.250 2.026 10 30 AEEERN C#CC[C@@H]1CC(C)(C)CCC1=O 238194677 573907134 /nfs/dbraw/zinc/90/71/34/573907134.db2.gz SGKVQYKUFVLFKB-SECBINFHSA-N 0 0 164.248 2.405 10 30 AEEERN SC[C@@H]1CNc2ccccc2C1 258178683 573907215 /nfs/dbraw/zinc/90/72/15/573907215.db2.gz OQKBSEZECXPXBN-QMMMGPOBSA-N 0 0 179.288 2.201 10 30 AEEERN N#CCC(F)(F)c1ccccn1 259001578 573907685 /nfs/dbraw/zinc/90/76/85/573907685.db2.gz MXPLMECXQDYTBL-UHFFFAOYSA-N 0 0 168.146 2.087 10 30 AEEERN CC1=C(C)C(=O)C2=CC[C@H](C2)C1 238193934 573907295 /nfs/dbraw/zinc/90/72/95/573907295.db2.gz JLNCHDRSQPBRNR-UWVGGRQHSA-N 0 0 162.232 2.488 10 30 AEEERN N#Cc1ccc2c(c1)SC(=O)C2O 306799398 573907326 /nfs/dbraw/zinc/90/73/26/573907326.db2.gz FOJSDQRSCPECRB-UHFFFAOYSA-N 0 0 191.211 2.184 10 30 AEEERN Cc1cn(C)c2cccc(CC=O)c12 258177511 573907361 /nfs/dbraw/zinc/90/73/61/573907361.db2.gz SLXJXWXUXQOURS-UHFFFAOYSA-N 0 0 187.242 2.228 10 30 AEEERN C=C[C@@H]1CC(=O)C(C)(C)S1 238195273 573907416 /nfs/dbraw/zinc/90/74/16/573907416.db2.gz PNRRDFDDHJQCAE-ZCFIWIBFSA-N 0 0 156.250 2.026 10 30 AEEERN CC(C)[C@@H](C#N)[C@H](O)c1ccco1 238193272 573907432 /nfs/dbraw/zinc/90/74/32/573907432.db2.gz DCRQSMDSCBLXRS-SCZZXKLOSA-N 0 0 179.219 2.109 10 30 AEEERN Cc1cc(C#N)cc(N2CC(C)C2)c1 306796628 573907457 /nfs/dbraw/zinc/90/74/57/573907457.db2.gz WSWXPNGOPFXMAB-UHFFFAOYSA-N 0 0 186.258 2.323 10 30 AEEERN CCc1nc2cc(C#N)ccc2o1 306798380 573907502 /nfs/dbraw/zinc/90/75/02/573907502.db2.gz CEJCVZKSJWYAHT-UHFFFAOYSA-N 0 0 172.187 2.262 10 30 AEEERN C=CC[C@H](C)S[C@H](C)CO 715055984 573907513 /nfs/dbraw/zinc/90/75/13/573907513.db2.gz AITCJRWQXKDAQG-JGVFFNPUSA-N 0 0 160.282 2.065 10 30 AEEERN N#Cc1ccc2sc(N)cc2c1F 306792841 573907616 /nfs/dbraw/zinc/90/76/16/573907616.db2.gz AVTJTZAGSDRROY-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN C#CCCNc1cccc(C)c1C#N 235782984 573907663 /nfs/dbraw/zinc/90/76/63/573907663.db2.gz NZJQQOWUFVMQQL-UHFFFAOYSA-N 0 0 184.242 2.302 10 30 AEEERN CC(=O)[C@@]1(C)C[C@H](C=O)C(C)(C)C1 238183564 573913623 /nfs/dbraw/zinc/91/36/23/573913623.db2.gz MMSZFZBLLIJVDT-KOLCDFICSA-N 0 0 182.263 2.217 10 30 AEEERN CC(=O)[C@@]1(C)CCC(C)(C)[C@H]1C=O 238182825 573913712 /nfs/dbraw/zinc/91/37/12/573913712.db2.gz RSYDURYKFRWTHU-MWLCHTKSSA-N 0 0 182.263 2.217 10 30 AEEERN CSCCC[C@]1(C#N)CCOC1 131652734 573913768 /nfs/dbraw/zinc/91/37/68/573913768.db2.gz MOHMWBIUZQKJPX-SECBINFHSA-N 0 0 185.292 2.060 10 30 AEEERN CSCCC[C@@]1(C#N)CCCC1=O 131659665 573913918 /nfs/dbraw/zinc/91/39/18/573913918.db2.gz XFXWLKSOZQCCDG-SNVBAGLBSA-N 0 0 197.303 2.393 10 30 AEEERN CC[C@H](C#N)OCCC(F)(F)F 131652807 573914113 /nfs/dbraw/zinc/91/41/13/573914113.db2.gz HJMIGXNGPDBWOU-ZCFIWIBFSA-N 0 0 181.157 2.258 10 30 AEEERN C=CC[C@@H](O)C(=C)C(C)C 238184759 573914914 /nfs/dbraw/zinc/91/49/14/573914914.db2.gz KCVNFLWFZMEVDJ-SECBINFHSA-N 0 0 140.226 2.136 10 30 AEEERN CCCc1ccnc([C@H](C#N)CC)n1 259004219 573914933 /nfs/dbraw/zinc/91/49/33/573914933.db2.gz DNBGAFHKHRBFCJ-VIFPVBQESA-N 0 0 189.262 2.446 10 30 AEEERN CC1([C@@H](O)C2(C#N)CCC2)CCC1 686131912 573914289 /nfs/dbraw/zinc/91/42/89/573914289.db2.gz WXNPWBABZWMAIM-SECBINFHSA-N 0 0 179.263 2.231 10 30 AEEERN C=CC[C@H](C)[C@@H](O)C1(C)CC1 715059263 573914322 /nfs/dbraw/zinc/91/43/22/573914322.db2.gz ZXDDEWUZIXEYPB-DTWKUNHWSA-N 0 0 154.253 2.360 10 30 AEEERN C#C[C@@H](O)C=C(C(C)C)C(C)C 238185383 573914451 /nfs/dbraw/zinc/91/44/51/573914451.db2.gz RMFLXKNURFDYCK-SNVBAGLBSA-N 0 0 166.264 2.219 10 30 AEEERN COc1cnc(CC(C)C)cc1C#N 258520473 573914463 /nfs/dbraw/zinc/91/44/63/573914463.db2.gz FCPXZQLIRSMDIZ-UHFFFAOYSA-N 0 0 190.246 2.160 10 30 AEEERN C=C[C@]1(C(C)=O)C[C@H]2C=C[C@@H]1C2 238184253 573914464 /nfs/dbraw/zinc/91/44/64/573914464.db2.gz YJJDZAAOQGQPMN-HBNTYKKESA-N 0 0 162.232 2.344 10 30 AEEERN CCSCC[C@@]1(C#N)CCCC1=O 131660120 573914978 /nfs/dbraw/zinc/91/49/78/573914978.db2.gz CJPSPNIQQIGEOG-SNVBAGLBSA-N 0 0 197.303 2.393 10 30 AEEERN C[C@H]1CCC[C@@H]1CC#N 145876235 573914526 /nfs/dbraw/zinc/91/45/26/573914526.db2.gz VGSAPFZMBQTQGA-JGVFFNPUSA-N 0 0 123.199 2.336 10 30 AEEERN Cc1c(C#N)cc(CC(C)C)n1C 259237556 573914530 /nfs/dbraw/zinc/91/45/30/573914530.db2.gz PAGSXEKYVCBUDS-UHFFFAOYSA-N 0 0 176.263 2.404 10 30 AEEERN C=C[C@@]1(C(C)=O)C=CCCC1 238184164 573914981 /nfs/dbraw/zinc/91/49/81/573914981.db2.gz UUCJWUUKXILXIG-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN CSCCC[C@@](C)(C#N)C(C)=O 131661172 573914661 /nfs/dbraw/zinc/91/46/61/573914661.db2.gz AKMDUTIMFZZACA-VIFPVBQESA-N 0 0 185.292 2.248 10 30 AEEERN C=CC[C@H](O)C(=C)C(C)C 238184343 573914664 /nfs/dbraw/zinc/91/46/64/573914664.db2.gz KCVNFLWFZMEVDJ-VIFPVBQESA-N 0 0 140.226 2.136 10 30 AEEERN C=CC[C@H](C)[C@H](O)C1(C)CC1 715059264 573914696 /nfs/dbraw/zinc/91/46/96/573914696.db2.gz ZXDDEWUZIXEYPB-IUCAKERBSA-N 0 0 154.253 2.360 10 30 AEEERN CCCc1ccc(C(=O)C#N)cc1 259237162 573914715 /nfs/dbraw/zinc/91/47/15/573914715.db2.gz RDDTXVIWBHAAML-UHFFFAOYSA-N 0 0 173.215 2.345 10 30 AEEERN CN(C)c1sc(C#N)c2c1CCC2 259237067 573914787 /nfs/dbraw/zinc/91/47/87/573914787.db2.gz CNRQVHWDHAGLBJ-UHFFFAOYSA-N 0 0 192.287 2.174 10 30 AEEERN C=C(C)[C@H](O)C(=C)C(C)C 238184217 573914794 /nfs/dbraw/zinc/91/47/94/573914794.db2.gz SBRDAKJLQKIIRO-VIFPVBQESA-N 0 0 140.226 2.136 10 30 AEEERN C/C=C/C=C/C(=O)C(C)C 145064727 573914800 /nfs/dbraw/zinc/91/48/00/573914800.db2.gz FJJZEVFYOSPWSH-YTXTXJHMSA-N 0 0 138.210 2.344 10 30 AEEERN C=C/C=C/C=C/C[C@H](O)C=C 238720165 573915158 /nfs/dbraw/zinc/91/51/58/573915158.db2.gz SCTHEPZSZLAGGW-YEHZPGOWSA-N 0 0 150.221 2.222 10 30 AEEERN N#CCCCOCCC(F)(F)F 131654127 573915180 /nfs/dbraw/zinc/91/51/80/573915180.db2.gz SQJSLVNTHPOYCU-UHFFFAOYSA-N 0 0 181.157 2.259 10 30 AEEERN C=C(CC)[C@H](O)C#C[Si](C)(C)C 238184675 573915328 /nfs/dbraw/zinc/91/53/28/573915328.db2.gz XYGLPZIQFYSMPE-SNVBAGLBSA-N 0 0 182.339 2.194 10 30 AEEERN C=C(CC)C[C@@H](NC)C(F)(F)F 131645868 573915356 /nfs/dbraw/zinc/91/53/56/573915356.db2.gz RNRFYNUVILSWGV-SSDOTTSWSA-N 0 0 181.201 2.493 10 30 AEEERN O[C@H](CS)c1ccc2c(c1)CCC2 259237396 573915414 /nfs/dbraw/zinc/91/54/14/573915414.db2.gz OYYTXWWHTRPGDP-LLVKDONJSA-N 0 0 194.299 2.139 10 30 AEEERN N#C[C@H](N)c1ccc2c(c1)CCCC2 259008365 573915430 /nfs/dbraw/zinc/91/54/30/573915430.db2.gz HLZAEBHDAHQMBB-LBPRGKRZSA-N 0 0 186.258 2.089 10 30 AEEERN C[C@@H]1CCC[C@@H]1CC#N 145875990 573915474 /nfs/dbraw/zinc/91/54/74/573915474.db2.gz VGSAPFZMBQTQGA-HTQZYQBOSA-N 0 0 123.199 2.336 10 30 AEEERN CC(C)C(=C=CC#CCO)C(C)C 238185099 573915536 /nfs/dbraw/zinc/91/55/36/573915536.db2.gz IKZWUSAPLYJNPZ-UHFFFAOYSA-N 0 0 178.275 2.376 10 30 AEEERN C=C(C)[C@@H](O)C(=C)C(C)C 238184667 573915547 /nfs/dbraw/zinc/91/55/47/573915547.db2.gz SBRDAKJLQKIIRO-SECBINFHSA-N 0 0 140.226 2.136 10 30 AEEERN C=C[C@@H](O)[C@@H](C)[C@@H](O)CCCCC 215483036 573915564 /nfs/dbraw/zinc/91/55/64/573915564.db2.gz NCVOGTAKRBITAL-MXWKQRLJSA-N 0 0 186.295 2.111 10 30 AEEERN N#Cc1snc2ccsc12 259581334 573915586 /nfs/dbraw/zinc/91/55/86/573915586.db2.gz KGXLQWRDQLRPLB-UHFFFAOYSA-N 0 0 166.230 2.229 10 30 AEEERN CCC1([C@H]2OCC[C@H]2C#N)CCC1 686132011 573926483 /nfs/dbraw/zinc/92/64/83/573926483.db2.gz YBGPOOFLDADPPJ-UWVGGRQHSA-N 0 0 179.263 2.495 10 30 AEEERN C=C1C[C@]2(C(C)=O)CCC[C@@H]12 238187093 573926730 /nfs/dbraw/zinc/92/67/30/573926730.db2.gz OWVFHTRWIABDBS-UWVGGRQHSA-N 0 0 150.221 2.322 10 30 AEEERN C[C@@H](C#N)[C@@H](O)CC1CCCCC1 87474696 573926796 /nfs/dbraw/zinc/92/67/96/573926796.db2.gz RFRJAUOKGOZKLV-ONGXEEELSA-N 0 0 181.279 2.477 10 30 AEEERN C#CCCSc1nc(C)co1 235815122 573926892 /nfs/dbraw/zinc/92/68/92/573926892.db2.gz BGRYPFCBHGYCBZ-UHFFFAOYSA-N 0 0 167.233 2.098 10 30 AEEERN C[C@H]1CCC[C@]1(Cl)C#N 84902418 573926927 /nfs/dbraw/zinc/92/69/27/573926927.db2.gz AOMHVQVWBUWXDX-BQBZGAKWSA-N 0 0 143.617 2.308 10 30 AEEERN Cc1ccc(CN(C)[C@H](C)C#N)s1 306804939 573926961 /nfs/dbraw/zinc/92/69/61/573926961.db2.gz ZBSVWCPAOROHQD-MRVPVSSYSA-N 0 0 194.303 2.400 10 30 AEEERN CCC(C#N)(CC)C(=O)NC(C)(C)C 44764520 573926974 /nfs/dbraw/zinc/92/69/74/573926974.db2.gz PISUIYHEXBWOFB-UHFFFAOYSA-N 0 0 196.294 2.231 10 30 AEEERN C[C@@H]1C[C@H](C#N)c2ccccc2O1 259585312 573934568 /nfs/dbraw/zinc/93/45/68/573934568.db2.gz FNABDAPOKQQWDK-RKDXNWHRSA-N 0 0 173.215 2.465 10 30 AEEERN CC1(C)[C@@H](C#N)C12CCC2 259586077 573934587 /nfs/dbraw/zinc/93/45/87/573934587.db2.gz KVUGUNFCNZIOQW-SSDOTTSWSA-N 0 0 135.210 2.336 10 30 AEEERN CC(C)C[C@H](C)N(C)C(=O)[C@H](C)C#N 44826688 573933850 /nfs/dbraw/zinc/93/38/50/573933850.db2.gz JSEOVBXSKYVPBD-ZJUUUORDSA-N 0 0 196.294 2.039 10 30 AEEERN O=C[C@H](F)CC1CCCC1 258460425 573933853 /nfs/dbraw/zinc/93/38/53/573933853.db2.gz HBLWAMFIDRBYQP-MRVPVSSYSA-N 0 0 144.189 2.104 10 30 AEEERN CO[C@@H](C)Cc1ccccc1C#N 259584861 573934662 /nfs/dbraw/zinc/93/46/62/573934662.db2.gz XVLPFJAKEZZYMT-VIFPVBQESA-N 0 0 175.231 2.136 10 30 AEEERN CC=C=C(CC)CC=O 238197461 573933859 /nfs/dbraw/zinc/93/38/59/573933859.db2.gz ROKAGQMNJISYJN-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN C=CCN(CCC)C(=O)N(CC)CC 127617396 573934007 /nfs/dbraw/zinc/93/40/07/573934007.db2.gz BRBZCLDATMVAQL-UHFFFAOYSA-N 0 0 198.310 2.346 10 30 AEEERN CC1(C)C=CC(=O)[C@@H]2CC=C[C@H]21 238197223 573934051 /nfs/dbraw/zinc/93/40/51/573934051.db2.gz JCJDZCIFIGNBOO-RKDXNWHRSA-N 0 0 162.232 2.344 10 30 AEEERN CSc1ccc([N+](=O)[O-])c(C#N)c1 123133114 573934067 /nfs/dbraw/zinc/93/40/67/573934067.db2.gz ZMWKJRYSDSGCJS-UHFFFAOYSA-N 0 0 194.215 2.188 10 30 AEEERN CC1(C)C([C@H]2CO2)C1(C)C 238195977 573934141 /nfs/dbraw/zinc/93/41/41/573934141.db2.gz KZFTULIYOFPOEO-ZCFIWIBFSA-N 0 0 140.226 2.067 10 30 AEEERN CCCN(CC)C(=O)[C@H](C#N)C(C)C 44814968 573934277 /nfs/dbraw/zinc/93/42/77/573934277.db2.gz YQYJLJROJCKZKK-SNVBAGLBSA-N 0 0 196.294 2.041 10 30 AEEERN CC(C)[C@](C#N)(C=O)c1ccccc1 238196962 573934281 /nfs/dbraw/zinc/93/42/81/573934281.db2.gz LBQAELVUDFWGOJ-LBPRGKRZSA-N 0 0 187.242 2.303 10 30 AEEERN CCC(C)(C)NC(=O)[C@H](C#N)C(C)C 44808653 573934338 /nfs/dbraw/zinc/93/43/38/573934338.db2.gz DZZWCDOLTFFJFN-SECBINFHSA-N 0 0 196.294 2.087 10 30 AEEERN CCCCCNC(=O)[C@H](C#N)C(C)C 44809627 573934343 /nfs/dbraw/zinc/93/43/43/573934343.db2.gz PWMLCPDHAGROKS-SNVBAGLBSA-N 0 0 196.294 2.089 10 30 AEEERN CC(C)C[C@@H](C)N(C)C(=O)[C@H](C)C#N 44826687 573934482 /nfs/dbraw/zinc/93/44/82/573934482.db2.gz JSEOVBXSKYVPBD-NXEZZACHSA-N 0 0 196.294 2.039 10 30 AEEERN C=C[C@]1(C(C)C)CC[C@H]1CO 238204380 573934547 /nfs/dbraw/zinc/93/45/47/573934547.db2.gz NLSSMLDZOAOQML-VHSXEESVSA-N 0 0 154.253 2.217 10 30 AEEERN CC[C@@H](C#N)Sc1nc(C)ns1 87514074 573937986 /nfs/dbraw/zinc/93/79/86/573937986.db2.gz SFAOFAFJZIOXLN-LURJTMIESA-N 0 0 199.304 2.241 10 30 AEEERN N#C[C@H]1CCc2cocc2C12CC2 259585334 573938022 /nfs/dbraw/zinc/93/80/22/573938022.db2.gz FNSQKXNIHXRRDE-SECBINFHSA-N 0 0 173.215 2.397 10 30 AEEERN C[C@@]1(c2ccc3[nH]cnc3c2)C[C@H]1C#N 259018519 573938025 /nfs/dbraw/zinc/93/80/25/573938025.db2.gz PLHIBAYCLSZLPG-CABZTGNLSA-N 0 0 197.241 2.364 10 30 AEEERN CC(C)c1nc2c([nH]1)CC[C@@H]2C#N 259585349 573938040 /nfs/dbraw/zinc/93/80/40/573938040.db2.gz FOIGSWLVSYKLQH-SSDOTTSWSA-N 0 0 175.235 2.086 10 30 AEEERN C#C[C@H]1[C@@H](CCC=C)C(=O)C1(C)C 238198037 573937375 /nfs/dbraw/zinc/93/73/75/573937375.db2.gz ZQRXYBIANZCWSW-ZJUUUORDSA-N 0 0 176.259 2.427 10 30 AEEERN C[C@]1(c2ccc3[nH]cnc3c2)C[C@@H]1C#N 259018514 573937385 /nfs/dbraw/zinc/93/73/85/573937385.db2.gz PLHIBAYCLSZLPG-BXKDBHETSA-N 0 0 197.241 2.364 10 30 AEEERN N#Cc1csc2cc(N)cc(C#N)c12 306834970 573937407 /nfs/dbraw/zinc/93/74/07/573937407.db2.gz QPJJZOKIHZRECH-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CC1=C(C)C[C@H]2C(=O)C=C(O)[C@H]2C1 238197510 573937438 /nfs/dbraw/zinc/93/74/38/573937438.db2.gz TTXSMFUHJLXVOC-DTWKUNHWSA-N 0 0 178.231 2.374 10 30 AEEERN C[C@]1(c2ccc3[nH]cnc3c2)C[C@H]1C#N 259018523 573937439 /nfs/dbraw/zinc/93/74/39/573937439.db2.gz PLHIBAYCLSZLPG-JOYOIKCWSA-N 0 0 197.241 2.364 10 30 AEEERN C[C@@]1(c2ccc3c(c2)CCO3)C[C@@H]1C#N 259018241 573937509 /nfs/dbraw/zinc/93/75/09/573937509.db2.gz PGTYOPRKJDCWFG-YPMHNXCESA-N 0 0 199.253 2.423 10 30 AEEERN CC[C@@H](C)C[C@H](O)C(C)(C)C#N 394410535 573937523 /nfs/dbraw/zinc/93/75/23/573937523.db2.gz IXNSVLGFOHUPDL-BDAKNGLRSA-N 0 0 169.268 2.333 10 30 AEEERN CCc1cc(C#N)c2c(n1)CCC2 259585364 573937604 /nfs/dbraw/zinc/93/76/04/573937604.db2.gz FOWMGKLDAOWIBE-UHFFFAOYSA-N 0 0 172.231 2.004 10 30 AEEERN CC[C@H](C#N)c1nc(C)cc(C)n1 259021478 573937653 /nfs/dbraw/zinc/93/76/53/573937653.db2.gz GGZGHKNKWMAARR-SECBINFHSA-N 0 0 175.235 2.111 10 30 AEEERN N#Cc1nc2cc(C(F)F)ccc2[nH]1 306832619 573937703 /nfs/dbraw/zinc/93/77/03/573937703.db2.gz MMMNFUJSLTZXGA-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN CC[C@H](C#N)Sc1nc(C)ns1 87514075 573937714 /nfs/dbraw/zinc/93/77/14/573937714.db2.gz SFAOFAFJZIOXLN-ZCFIWIBFSA-N 0 0 199.304 2.241 10 30 AEEERN N#Cc1nc2c(C(F)F)cccc2[nH]1 306837113 573937726 /nfs/dbraw/zinc/93/77/26/573937726.db2.gz UZPGCKPKCOKMDE-UHFFFAOYSA-N 0 0 193.156 2.372 10 30 AEEERN C=C1C(CO)=CCCC1(C)C 238197687 573937744 /nfs/dbraw/zinc/93/77/44/573937744.db2.gz SYSUUYONPQTMJV-UHFFFAOYSA-N 0 0 152.237 2.281 10 30 AEEERN C=CC[C@@H](O)c1sc(C)nc1C 235833203 573937775 /nfs/dbraw/zinc/93/77/75/573937775.db2.gz NPXLPWSROCSTIS-MRVPVSSYSA-N 0 0 183.276 2.369 10 30 AEEERN N#C[C@@H]1CCc2cocc2C12CC2 259585335 573937792 /nfs/dbraw/zinc/93/77/92/573937792.db2.gz FNSQKXNIHXRRDE-VIFPVBQESA-N 0 0 173.215 2.397 10 30 AEEERN CCCc1nc2n(c1C#N)CCCC2 259018338 573937821 /nfs/dbraw/zinc/93/78/21/573937821.db2.gz IMZYECONFPGISZ-UHFFFAOYSA-N 0 0 189.262 2.044 10 30 AEEERN C/C=C(/CC)C(=O)c1c(C)cnn1C 308468065 573937867 /nfs/dbraw/zinc/93/78/67/573937867.db2.gz IIWXNSOULYRIHH-UITAMQMPSA-N 0 0 192.262 2.268 10 30 AEEERN N#Cc1cc(N)c2cc(F)sc2c1 306835988 573937892 /nfs/dbraw/zinc/93/78/92/573937892.db2.gz SJHPSYBBXJZHOT-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN Cc1cc(C)c([C@H](C)CO)cc1C#N 258184412 573937915 /nfs/dbraw/zinc/93/79/15/573937915.db2.gz WWWYTWOMGYDFBE-SNVBAGLBSA-N 0 0 189.258 2.271 10 30 AEEERN C#C[C@H]1[C@H](CCC=C)C(=O)C1(C)C 238198061 573937953 /nfs/dbraw/zinc/93/79/53/573937953.db2.gz ZQRXYBIANZCWSW-UWVGGRQHSA-N 0 0 176.259 2.427 10 30 AEEERN N#CCc1cncc(-c2ccncc2)c1 238553622 573940450 /nfs/dbraw/zinc/94/04/50/573940450.db2.gz YWVONAMHJYCBRG-UHFFFAOYSA-N 0 0 195.225 2.210 10 30 AEEERN CC(C)[C@H](C#N)[C@H](O)c1ccco1 238214804 573940619 /nfs/dbraw/zinc/94/06/19/573940619.db2.gz DCRQSMDSCBLXRS-WPRPVWTQSA-N 0 0 179.219 2.109 10 30 AEEERN CC(CCCC=O)=C1CC1 238200688 573940648 /nfs/dbraw/zinc/94/06/48/573940648.db2.gz MAIUDQMIGAFBOF-UHFFFAOYSA-N 0 0 138.210 2.466 10 30 AEEERN CC/C=C\C(=O)O[C@H](C#N)CCC 308468359 573940668 /nfs/dbraw/zinc/94/06/68/573940668.db2.gz JUALWZKHFMNCNI-PGBBXKAQSA-N 0 0 181.235 2.188 10 30 AEEERN O=Cc1cc(CS)cc(CS)c1 81214031 573940676 /nfs/dbraw/zinc/94/06/76/573940676.db2.gz DZSJJGZWQAVEQZ-UHFFFAOYSA-N 0 0 198.312 2.359 10 30 AEEERN C[C@H](C#N)Oc1ccc(Cl)nc1 87543256 573940703 /nfs/dbraw/zinc/94/07/03/573940703.db2.gz RAFFSVUVLLIXNM-ZCFIWIBFSA-N 0 0 182.610 2.026 10 30 AEEERN C=C[C@H]1CCC(=O)C1(C)C 238203235 573940709 /nfs/dbraw/zinc/94/07/09/573940709.db2.gz FXJIIGNUCAFHEE-ZETCQYMHSA-N 0 0 138.210 2.178 10 30 AEEERN CC(C)[C@@]1(C)CCCC(=O)C1=O 238201299 573940780 /nfs/dbraw/zinc/94/07/80/573940780.db2.gz ZANQDYGMGWADRV-SNVBAGLBSA-N 0 0 168.236 2.454 10 30 AEEERN C[C@](O)(CC=O)c1ccccc1Cl 84996021 573940805 /nfs/dbraw/zinc/94/08/05/573940805.db2.gz VQAQISYHNAJMEN-JTQLQIEISA-N 0 0 198.649 2.137 10 30 AEEERN C#CCCC(=O)c1ccc(Cl)nc1 87545922 573940880 /nfs/dbraw/zinc/94/08/80/573940880.db2.gz LTZHKUZLQUPMAO-UHFFFAOYSA-N 0 0 193.633 2.331 10 30 AEEERN C=C[C@@H](O)C=C=C(C)CC 238200605 573940950 /nfs/dbraw/zinc/94/09/50/573940950.db2.gz CRMHNWRJPFTUEP-IOJJLOCKSA-N 0 0 138.210 2.045 10 30 AEEERN CON(CCC(C)C)C(C)(C)C#N 308467562 573940976 /nfs/dbraw/zinc/94/09/76/573940976.db2.gz JMUAVXLWBQEBGQ-UHFFFAOYSA-N 0 0 184.283 2.198 10 30 AEEERN C=CC(=O)c1ccc(Cl)nc1 87545856 573940999 /nfs/dbraw/zinc/94/09/99/573940999.db2.gz OMTOVBBXCAAYMI-UHFFFAOYSA-N 0 0 167.595 2.104 10 30 AEEERN CC1=C/C(=N\O)C=C(C(C)(C)C)[C@@H]1O 238214855 573941035 /nfs/dbraw/zinc/94/10/35/573941035.db2.gz GEUSHWABUCQKES-ZDIKFAODSA-N 0 0 195.262 2.110 10 30 AEEERN COc1cc(C)c(CC=O)c(C)c1C 259022537 573941086 /nfs/dbraw/zinc/94/10/86/573941086.db2.gz AKJMBVSBSSMFSE-UHFFFAOYSA-N 0 0 192.258 2.362 10 30 AEEERN Cc1cccc([C@@](C)(O)CC=O)c1C 84996455 573941129 /nfs/dbraw/zinc/94/11/29/573941129.db2.gz VMIWBKQMBRDUBA-LBPRGKRZSA-N 0 0 192.258 2.100 10 30 AEEERN CCCCC#CCCC#C[C@H](C)O 238214955 573941159 /nfs/dbraw/zinc/94/11/59/573941159.db2.gz ANSDCKWGUBBWTE-LBPRGKRZSA-N 0 0 178.275 2.344 10 30 AEEERN C=CC[C@@H](O)C1=C(C)C(C)(C)CO1 238214496 573941165 /nfs/dbraw/zinc/94/11/65/573941165.db2.gz PABREXWHOCOWQJ-SECBINFHSA-N 0 0 182.263 2.254 10 30 AEEERN C=C1C(C)=C(C)[C@@]1(C)C(C)=O 238201022 573941171 /nfs/dbraw/zinc/94/11/71/573941171.db2.gz RBVRNNGRBUVUCR-JTQLQIEISA-N 0 0 150.221 2.488 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\CCO)C2 238214602 573941247 /nfs/dbraw/zinc/94/12/47/573941247.db2.gz YTOTYMKKQUDVAF-YJPCUNEESA-N 0 0 195.306 2.266 10 30 AEEERN C[C@@H]1CCC[C@@H]([C@](C)(O)CC=O)C1 84996102 573941251 /nfs/dbraw/zinc/94/12/51/573941251.db2.gz REWILCZKHPKYQK-GMTAPVOTSA-N 0 0 184.279 2.153 10 30 AEEERN COc1ccccc1[C@]1(C)C[C@@H]1C#N 259022906 573941316 /nfs/dbraw/zinc/94/13/16/573941316.db2.gz PYLJODCQHLKIBM-BXKDBHETSA-N 0 0 187.242 2.496 10 30 AEEERN C=C(C)[C@H](CCC#N)C(C)=O 81191986 573941442 /nfs/dbraw/zinc/94/14/42/573941442.db2.gz FIXBGJSDESURCJ-VIFPVBQESA-N 0 0 151.209 2.071 10 30 AEEERN C=C(C)C(=O)c1ccnc(Cl)c1 87545424 573941445 /nfs/dbraw/zinc/94/14/45/573941445.db2.gz LJFYXSQDDIAECF-UHFFFAOYSA-N 0 0 181.622 2.494 10 30 AEEERN C=C[C@H](O)CC(=C=CC)CC 238200811 573941486 /nfs/dbraw/zinc/94/14/86/573941486.db2.gz FBTRQTHERZTGIK-MHPPCMCBSA-N 0 0 152.237 2.435 10 30 AEEERN C=C(C)[C@H](C)[C@@H](O)C(C)C 238214476 573941701 /nfs/dbraw/zinc/94/17/01/573941701.db2.gz CEAMTQJGICVZKX-IUCAKERBSA-N 0 0 142.242 2.216 10 30 AEEERN C=C[C@@H](O)CC(=C=CC)CC 238200963 573941789 /nfs/dbraw/zinc/94/17/89/573941789.db2.gz FBTRQTHERZTGIK-OMNKOJBGSA-N 0 0 152.237 2.435 10 30 AEEERN Cc1cc(C)c([C@@H](C)CO)cc1C#N 258184409 573941794 /nfs/dbraw/zinc/94/17/94/573941794.db2.gz WWWYTWOMGYDFBE-JTQLQIEISA-N 0 0 189.258 2.271 10 30 AEEERN CC1(C)CC2=C(CCC2)C1=O 238205072 573946417 /nfs/dbraw/zinc/94/64/17/573946417.db2.gz SOGUHWRFJHFJOW-UHFFFAOYSA-N 0 0 150.221 2.466 10 30 AEEERN C=C1[C@@H](CCO)[C@]1(C)C(C)C 238204250 573946476 /nfs/dbraw/zinc/94/64/76/573946476.db2.gz IKFVARWYNMRTAT-NXEZZACHSA-N 0 0 154.253 2.217 10 30 AEEERN CN(c1cccc(C#N)n1)C(C)(C)C 306849356 573946554 /nfs/dbraw/zinc/94/65/54/573946554.db2.gz NSWIGYVPRHDCTN-UHFFFAOYSA-N 0 0 189.262 2.188 10 30 AEEERN CCCCC#CCC[C@H](C)O 238215324 573946577 /nfs/dbraw/zinc/94/65/77/573946577.db2.gz DYUVBCLCKNAYCL-JTQLQIEISA-N 0 0 154.253 2.341 10 30 AEEERN C=C[C@@H]1C[C@H](CCO)C1(C)C 238206151 573946632 /nfs/dbraw/zinc/94/66/32/573946632.db2.gz MWVOQPUNAWGMOM-BDAKNGLRSA-N 0 0 154.253 2.217 10 30 AEEERN CO[C@](C)(C=O)c1ccccc1Cl 257913622 573947631 /nfs/dbraw/zinc/94/76/31/573947631.db2.gz XFXRNSAPLPLTAX-SNVBAGLBSA-N 0 0 198.649 2.401 10 30 AEEERN C=CC[C@@H](O)CCOc1ccccc1 42394640 573947641 /nfs/dbraw/zinc/94/76/41/573947641.db2.gz XOSQRDACXGOYEA-LLVKDONJSA-N 0 0 192.258 2.393 10 30 AEEERN CC1(C)CC=C([C@]2(O)C[C@@H]2CC=O)C1 238205665 573947804 /nfs/dbraw/zinc/94/78/04/573947804.db2.gz HYPZCCUXXYMLAT-CMPLNLGQSA-N 0 0 194.274 2.073 10 30 AEEERN CC1(C)CC2=C(CCCC2=O)O1 238205140 573947828 /nfs/dbraw/zinc/94/78/28/573947828.db2.gz UMAYPDLZDADDGY-UHFFFAOYSA-N 0 0 166.220 2.192 10 30 AEEERN O=CC[C@@H]1CSc2ccc(O)cc21 257913830 573947896 /nfs/dbraw/zinc/94/78/96/573947896.db2.gz BNJMXVDXVIYWQT-SSDOTTSWSA-N 0 0 194.255 2.171 10 30 AEEERN CC1(C)CC=C2C(=O)CCC=C2O1 238205703 573947936 /nfs/dbraw/zinc/94/79/36/573947936.db2.gz BERNIGSJISZMAB-UHFFFAOYSA-N 0 0 178.231 2.359 10 30 AEEERN CC1(C)C(CC#N)=CC[C@@H]1CC=O 238205193 573947962 /nfs/dbraw/zinc/94/79/62/573947962.db2.gz YRKMFNWJUVRERO-SNVBAGLBSA-N 0 0 177.247 2.462 10 30 AEEERN CCCN(CC#N)CC=C(C)C 45092462 573947972 /nfs/dbraw/zinc/94/79/72/573947972.db2.gz FIRSZNIRRGHQJN-UHFFFAOYSA-N 0 0 166.268 2.188 10 30 AEEERN C=C1[C@H](CCO)[C@]1(C)C(C)C 238204172 573948080 /nfs/dbraw/zinc/94/80/80/573948080.db2.gz IKFVARWYNMRTAT-VHSXEESVSA-N 0 0 154.253 2.217 10 30 AEEERN C=CCC[C@H](NN)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716487390 573948138 /nfs/dbraw/zinc/94/81/38/573948138.db2.gz SDVYTGFVWLXUHN-OOCWMUITSA-N 0 0 194.322 2.077 10 30 AEEERN Cc1cc(C)cc([C@@](C)(O)CC=O)c1 84996642 573948169 /nfs/dbraw/zinc/94/81/69/573948169.db2.gz BQIHKGHZSXQTTL-LBPRGKRZSA-N 0 0 192.258 2.100 10 30 AEEERN CCCN(CC#N)Cc1cccs1 45092579 573948176 /nfs/dbraw/zinc/94/81/76/573948176.db2.gz AVICAWMZHXUXSK-UHFFFAOYSA-N 0 0 194.303 2.484 10 30 AEEERN Cc1cc(C)cc([C@](C)(O)CC=O)c1 84996641 573948207 /nfs/dbraw/zinc/94/82/07/573948207.db2.gz BQIHKGHZSXQTTL-GFCCVEGCSA-N 0 0 192.258 2.100 10 30 AEEERN CCc1nc(C)cn1[C@@H](C)CC#N 715082534 573952092 /nfs/dbraw/zinc/95/20/92/573952092.db2.gz QYVYCIACZJERAR-VIFPVBQESA-N 0 0 177.251 2.229 10 30 AEEERN CC1=C(CCC=O)C(C)(C)C[C@@H](O)C1 238208115 573952126 /nfs/dbraw/zinc/95/21/26/573952126.db2.gz AWXAMVMFWDUEHH-JTQLQIEISA-N 0 0 196.290 2.463 10 30 AEEERN N#CCCc1cnc2c(O)cccc2c1 259587317 573952182 /nfs/dbraw/zinc/95/21/82/573952182.db2.gz KXBIJBGXHUNVRM-UHFFFAOYSA-N 0 0 198.225 2.397 10 30 AEEERN CC/C=C(/C)CCC#CCO 238215428 573952187 /nfs/dbraw/zinc/95/21/87/573952187.db2.gz HXMWMNOYBPOWRJ-YFHOEESVSA-N 0 0 152.237 2.119 10 30 AEEERN C=C[C@@H](O)C(C)(C)C(C)C 238207254 573952216 /nfs/dbraw/zinc/95/22/16/573952216.db2.gz PQIQGPPZUCQRNM-MRVPVSSYSA-N 0 0 142.242 2.216 10 30 AEEERN CCCN(CC#N)[C@@H](C)CC 45092471 573952478 /nfs/dbraw/zinc/95/24/78/573952478.db2.gz YCPIGEWAIRNMOI-VIFPVBQESA-N 0 0 154.257 2.020 10 30 AEEERN CCc1nc(C)cn1[C@H](C)CC#N 715082532 573952493 /nfs/dbraw/zinc/95/24/93/573952493.db2.gz QYVYCIACZJERAR-SECBINFHSA-N 0 0 177.251 2.229 10 30 AEEERN CCCCOCCN(CC#N)CCC 45092739 573952509 /nfs/dbraw/zinc/95/25/09/573952509.db2.gz ZWFLXMMPGYEXNL-UHFFFAOYSA-N 0 0 198.310 2.039 10 30 AEEERN C=C1[C@H]([C@H](C)O)[C@@]1(C)C(C)C 238209326 573955408 /nfs/dbraw/zinc/95/54/08/573955408.db2.gz MDNVLWWZPUMHCS-AEJSXWLSSA-N 0 0 154.253 2.216 10 30 AEEERN C=CC#CC(C)(C)[C@@H](O)C(C)C 238209827 573955423 /nfs/dbraw/zinc/95/54/23/573955423.db2.gz DCCAYPQTSZYHBD-JTQLQIEISA-N 0 0 166.264 2.219 10 30 AEEERN COc1ccc([C@@H]2C[C@@H]2C#N)cc1F 259252050 573955481 /nfs/dbraw/zinc/95/54/81/573955481.db2.gz TYMPRIDWFNPQGW-BDAKNGLRSA-N 0 0 191.205 2.461 10 30 AEEERN CN(C)[C@]1(C#N)CCC[C@@H](C2CC2)C1 81648101 573955558 /nfs/dbraw/zinc/95/55/58/573955558.db2.gz LVEZCWZQERRLOB-VXGBXAGGSA-N 0 0 192.306 2.411 10 30 AEEERN C=C1C(=O)[C@@H]2CC=C[C@H]2C1(C)C 238210679 573955564 /nfs/dbraw/zinc/95/55/64/573955564.db2.gz SGVLNWGIVHWDDE-RKDXNWHRSA-N 0 0 162.232 2.344 10 30 AEEERN C[C@]1(C#N)C[C@@H]1c1cc[nH]c1 259026450 573955647 /nfs/dbraw/zinc/95/56/47/573955647.db2.gz QPYBRFMPBDAXJP-RKDXNWHRSA-N 0 0 146.193 2.032 10 30 AEEERN CC[C@H](C)OC[C@](C)(C#N)NC(C)C 45213947 573955649 /nfs/dbraw/zinc/95/56/49/573955649.db2.gz JDCZQHWESGXVLK-QWRGUYRKSA-N 0 0 198.310 2.082 10 30 AEEERN C=C[C@@]1(C(C)C)CC[C@@H]1CO 238209528 573955703 /nfs/dbraw/zinc/95/57/03/573955703.db2.gz NLSSMLDZOAOQML-ZJUUUORDSA-N 0 0 154.253 2.217 10 30 AEEERN C=C1[C@@H](C(C)=O)[C@@]1(C)C(C)C 238209351 573955716 /nfs/dbraw/zinc/95/57/16/573955716.db2.gz LWHXHZUJWYLESF-UWVGGRQHSA-N 0 0 152.237 2.424 10 30 AEEERN CN[C@]1(C#N)CCC[C@@H](C2CC2)C1 81642420 573955740 /nfs/dbraw/zinc/95/57/40/573955740.db2.gz XZAAKRREVXONSH-GHMZBOCLSA-N 0 0 178.279 2.068 10 30 AEEERN CC(C)[C@@]1(C)C(=O)C=C[C@H]1C 238209367 573955745 /nfs/dbraw/zinc/95/57/45/573955745.db2.gz DUYHJJPIRMGZEX-PSASIEDQSA-N 0 0 152.237 2.424 10 30 AEEERN C=C1C[C@H](O)C(C)(C)C1(C)C 238209152 573955751 /nfs/dbraw/zinc/95/57/51/573955751.db2.gz IGPWQHKSRKKOBH-QMMMGPOBSA-N 0 0 154.253 2.360 10 30 AEEERN CCc1ccccc1C1(C=O)CC1 257912704 573955783 /nfs/dbraw/zinc/95/57/83/573955783.db2.gz QLMGBLZFLHDGQR-UHFFFAOYSA-N 0 0 174.243 2.480 10 30 AEEERN CCCCOCC[C@](C)(C#N)NCC 45213497 573955803 /nfs/dbraw/zinc/95/58/03/573955803.db2.gz PJBDIVLKTRFPTG-LLVKDONJSA-N 0 0 198.310 2.085 10 30 AEEERN CC(C)C[C@H](C)OCC[C@](C)(N)C#N 45208561 573955820 /nfs/dbraw/zinc/95/58/20/573955820.db2.gz KRSGGMCANAMEIA-QWRGUYRKSA-N 0 0 198.310 2.069 10 30 AEEERN C1C[C@@H](C2CC2)C[C@]2(C1)CO2 81649102 573955852 /nfs/dbraw/zinc/95/58/52/573955852.db2.gz PVMAGNLGOIAMSQ-NXEZZACHSA-N 0 0 152.237 2.356 10 30 AEEERN C=C1[C@H](C(C)=O)[C@@]1(C)C(C)C 238209217 573955878 /nfs/dbraw/zinc/95/58/78/573955878.db2.gz LWHXHZUJWYLESF-ZJUUUORDSA-N 0 0 152.237 2.424 10 30 AEEERN CN[C@]1(C#N)CCC[C@H](C2CC2)C1 81642412 573955888 /nfs/dbraw/zinc/95/58/88/573955888.db2.gz XZAAKRREVXONSH-WDEREUQCSA-N 0 0 178.279 2.068 10 30 AEEERN CC1(C)[C@@H]2C=CC=CC(=O)[C@]21C 238210518 573955957 /nfs/dbraw/zinc/95/59/57/573955957.db2.gz BMZXIDJBSLERIZ-KWQFWETISA-N 0 0 162.232 2.344 10 30 AEEERN CCCCOC[C@@](C)(C#N)NC(C)C 45213440 573955979 /nfs/dbraw/zinc/95/59/79/573955979.db2.gz QXHYWJNLKXNFFQ-LLVKDONJSA-N 0 0 198.310 2.083 10 30 AEEERN C1C[C@H](C2CC2)C[C@]2(C1)CO2 81649100 573955986 /nfs/dbraw/zinc/95/59/86/573955986.db2.gz PVMAGNLGOIAMSQ-VHSXEESVSA-N 0 0 152.237 2.356 10 30 AEEERN C=C[C@@]1(C(C)C)CC[C@H]1CO 238209539 573956001 /nfs/dbraw/zinc/95/60/01/573956001.db2.gz NLSSMLDZOAOQML-UWVGGRQHSA-N 0 0 154.253 2.217 10 30 AEEERN CC1(C)CCC2=C(CCC2=O)O1 238209449 573956088 /nfs/dbraw/zinc/95/60/88/573956088.db2.gz NLTNHHRGGNOPSW-UHFFFAOYSA-N 0 0 166.220 2.192 10 30 AEEERN CC1(C)[C@H](C=O)[C@@H]1Oc1ccccc1 238209938 573956030 /nfs/dbraw/zinc/95/60/30/573956030.db2.gz ULMSDHWCHHITCI-MNOVXSKESA-N 0 0 190.242 2.289 10 30 AEEERN CCCCC#C[C@@H]1CCC[C@H](O)O1 238216965 573963205 /nfs/dbraw/zinc/96/32/05/573963205.db2.gz UCIXVNREXYHQQW-GHMZBOCLSA-N 0 0 182.263 2.068 10 30 AEEERN Cn1cnc2cc([C@H]3C[C@@H]3C#N)ccc21 259028945 573963244 /nfs/dbraw/zinc/96/32/44/573963244.db2.gz DRABQNKZRPPPEK-NXEZZACHSA-N 0 0 197.241 2.200 10 30 AEEERN CC(C)N(CCC#N)c1nccs1 42530879 573963283 /nfs/dbraw/zinc/96/32/83/573963283.db2.gz VTDFGDAAZCGPAQ-UHFFFAOYSA-N 0 0 195.291 2.272 10 30 AEEERN C=CC[C@H](O)/C(C)=C\CC 238216014 573963285 /nfs/dbraw/zinc/96/32/85/573963285.db2.gz YUMUHWDQAZGKTO-XZLDQRQTSA-N 0 0 140.226 2.280 10 30 AEEERN CC[C@@H](C)SC[C@](C)(C#N)NC 45216858 573963308 /nfs/dbraw/zinc/96/33/08/573963308.db2.gz AZVFGMILIIUQCY-BDAKNGLRSA-N 0 0 186.324 2.020 10 30 AEEERN CCCCC#C[C@@H]1CCC[C@@H](O)O1 238216940 573963412 /nfs/dbraw/zinc/96/34/12/573963412.db2.gz UCIXVNREXYHQQW-MNOVXSKESA-N 0 0 182.263 2.068 10 30 AEEERN CC[C@@H](C)SCC[C@@](C)(N)C#N 45216959 573963415 /nfs/dbraw/zinc/96/34/15/573963415.db2.gz SVDNOCGLVPYPGZ-RKDXNWHRSA-N 0 0 186.324 2.149 10 30 AEEERN CCC=C=CC(=O)CC 238216557 573963420 /nfs/dbraw/zinc/96/34/20/573963420.db2.gz NYCLDVWFPMBTNN-UHFFFAOYSA-N 0 0 124.183 2.087 10 30 AEEERN CCSCC[C@@](C)(C#N)NC1CC1 45216839 573963456 /nfs/dbraw/zinc/96/34/56/573963456.db2.gz WHOIOMNKPNPVMS-JTQLQIEISA-N 0 0 198.335 2.164 10 30 AEEERN CCCCC#C[C@@H]1CC(=O)C=CO1 238216861 573963466 /nfs/dbraw/zinc/96/34/66/573963466.db2.gz OSJBEOCFYLSXHM-LLVKDONJSA-N 0 0 178.231 2.052 10 30 AEEERN CC(C)COCCCC[C@](C)(N)C#N 45325812 573963474 /nfs/dbraw/zinc/96/34/74/573963474.db2.gz CBBNIIVKDKOYNT-NSHDSACASA-N 0 0 198.310 2.070 10 30 AEEERN CC1(C)[C@@H]2CC[C@@]1(CC#N)C(=O)C2 238216810 573963548 /nfs/dbraw/zinc/96/35/48/573963548.db2.gz WSVCGPGWKXGNOF-LDYMZIIASA-N 0 0 177.247 2.295 10 30 AEEERN CC1(C)[C@H]2C[C@@H](C=O)CC[C@H]21 238215968 573963563 /nfs/dbraw/zinc/96/35/63/573963563.db2.gz KIJOWWVPNFGYLU-YIZRAAEISA-N 0 0 152.237 2.258 10 30 AEEERN CC1=CC(=O)CC[C@]12CCCC2=O 238217138 573963682 /nfs/dbraw/zinc/96/36/82/573963682.db2.gz DHCCANBAHFCBNX-LLVKDONJSA-N 0 0 178.231 2.035 10 30 AEEERN Cn1cnc2cc([C@H]3C[C@H]3C#N)ccc21 259028952 573963687 /nfs/dbraw/zinc/96/36/87/573963687.db2.gz DRABQNKZRPPPEK-VHSXEESVSA-N 0 0 197.241 2.200 10 30 AEEERN CN[C@](C)(C#N)CCSC(C)C 45220209 573963718 /nfs/dbraw/zinc/96/37/18/573963718.db2.gz JYSBKASPXMPXFQ-VIFPVBQESA-N 0 0 186.324 2.020 10 30 AEEERN CC1=CC(=O)CC[C@@]12CCCC2=O 238216937 573963794 /nfs/dbraw/zinc/96/37/94/573963794.db2.gz DHCCANBAHFCBNX-NSHDSACASA-N 0 0 178.231 2.035 10 30 AEEERN CC1=CC(=O)C=C(C)C12CCCO2 238216202 573963880 /nfs/dbraw/zinc/96/38/80/573963880.db2.gz FIIAWGVYKDERMI-UHFFFAOYSA-N 0 0 178.231 2.011 10 30 AEEERN C#C[C@@]1(C)CCCC(C)(C)C1=O 238217113 573964002 /nfs/dbraw/zinc/96/40/02/573964002.db2.gz IBSGWSAKQWAXOV-NSHDSACASA-N 0 0 164.248 2.405 10 30 AEEERN CCSCCC[C@](C)(C#N)NC 45333456 573966179 /nfs/dbraw/zinc/96/61/79/573966179.db2.gz DQYMCYLTJPOLFQ-SECBINFHSA-N 0 0 186.324 2.021 10 30 AEEERN Cc1cc(/C=N\O)c(C)s1 211846759 573966180 /nfs/dbraw/zinc/96/61/80/573966180.db2.gz WQBOPPMZPVSEEK-YWEYNIOJSA-N 0 0 155.222 2.173 10 30 AEEERN C=C[C@H]1CCC(C)=CC1=O 238219567 573966252 /nfs/dbraw/zinc/96/62/52/573966252.db2.gz GPCWWCPADZBGNI-QMMMGPOBSA-N 0 0 136.194 2.098 10 30 AEEERN C=C(CC)CN1CCCC[C@H]1C#N 85059118 573965573 /nfs/dbraw/zinc/96/55/73/573965573.db2.gz GYGSWXKTRHOHRZ-NSHDSACASA-N 0 0 178.279 2.331 10 30 AEEERN C=CC[C@H](O)/C=C/C(C)C 238219342 573965577 /nfs/dbraw/zinc/96/55/77/573965577.db2.gz NHVSWGJXMGIQIW-UCUJLANTSA-N 0 0 140.226 2.136 10 30 AEEERN CCCCSCC[C@@](C)(N)C#N 45215827 573965614 /nfs/dbraw/zinc/96/56/14/573965614.db2.gz ZQCWVWHNQULPRJ-SECBINFHSA-N 0 0 186.324 2.151 10 30 AEEERN CC(C)CNc1ncc(C#N)s1 259029387 573965713 /nfs/dbraw/zinc/96/57/13/573965713.db2.gz SVXMFDLFNXBYDT-UHFFFAOYSA-N 0 0 181.264 2.083 10 30 AEEERN CC(C)CCOCCC[C@](C)(N)C#N 45325659 573965724 /nfs/dbraw/zinc/96/57/24/573965724.db2.gz GTWBOENLIGNKHM-NSHDSACASA-N 0 0 198.310 2.070 10 30 AEEERN CCCCCCOCC[C@](C)(N)C#N 45207382 573965744 /nfs/dbraw/zinc/96/57/44/573965744.db2.gz JNEMEQPMSCHPLX-NSHDSACASA-N 0 0 198.310 2.214 10 30 AEEERN CC(C)/C=C/[C@@H](O)C#C[Si](C)(C)C 238219252 573965746 /nfs/dbraw/zinc/96/57/46/573965746.db2.gz RCKTYKPNXGTYBU-XUIVZRPNSA-N 0 0 196.366 2.440 10 30 AEEERN CCCCC#C[C@H]1CC(=O)C=CO1 238218444 573965827 /nfs/dbraw/zinc/96/58/27/573965827.db2.gz OSJBEOCFYLSXHM-NSHDSACASA-N 0 0 178.231 2.052 10 30 AEEERN C=C[C@@H]1[C@H]2C(C)(C)C(=O)C[C@@]12C 238219565 573966043 /nfs/dbraw/zinc/96/60/43/573966043.db2.gz QIQVXECAVUCUJX-HDBBIHSSSA-N 0 0 164.248 2.424 10 30 AEEERN CC/C=C/C=C/[C@H]1C[C@H]1C=O 238219381 573966107 /nfs/dbraw/zinc/96/61/07/573966107.db2.gz GVUBFZQUXOQYAR-BDDVLTILSA-N 0 0 150.221 2.344 10 30 AEEERN CC(C)OCCN(CCC#N)C(C)C 42530809 573966137 /nfs/dbraw/zinc/96/61/37/573966137.db2.gz IMIYSXCMONVBNF-UHFFFAOYSA-N 0 0 198.310 2.035 10 30 AEEERN CC(C)(C)OCCCC[C@@](C)(N)C#N 45324358 573977082 /nfs/dbraw/zinc/97/70/82/573977082.db2.gz PGEMSGXONKSDJM-LLVKDONJSA-N 0 0 198.310 2.213 10 30 AEEERN CC[C@H](S)[C@H](S)CC 104401890 573977083 /nfs/dbraw/zinc/97/70/83/573977083.db2.gz LUONBHMVIZPOEK-OLQVQODUSA-N 0 0 150.312 2.403 10 30 AEEERN CC/C=C/C[C@@H](C)C=O 238221155 573977109 /nfs/dbraw/zinc/97/71/09/573977109.db2.gz FSKAMRNPQVIVRP-WTSVBCDHSA-N 0 0 126.199 2.178 10 30 AEEERN CO[C@@H](C#N)C1CCC(C)CC1 85091166 573977111 /nfs/dbraw/zinc/97/71/11/573977111.db2.gz ZFGNDJKKXBDQKP-RTBKNWGFSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@]1(C#N)CCCC[C@@H]1C 85091189 573977126 /nfs/dbraw/zinc/97/71/26/573977126.db2.gz GEWZRJWEEIOZLR-IUCAKERBSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@]1(C#N)CCC[C@@H](C)CC1 85090932 573977149 /nfs/dbraw/zinc/97/71/49/573977149.db2.gz NBOUVLCWMCCJLX-NXEZZACHSA-N 0 0 167.252 2.495 10 30 AEEERN CC1=CC(=O)[C@H]2[C@@H]1CCC21CC1 238222045 573977152 /nfs/dbraw/zinc/97/71/52/573977152.db2.gz BKWHZKWDTUSART-PSASIEDQSA-N 0 0 162.232 2.322 10 30 AEEERN CCO[C@]1(C#N)CC[C@H](CC)C1 85090336 573977160 /nfs/dbraw/zinc/97/71/60/573977160.db2.gz SDGLXHFUKCXUOX-VHSXEESVSA-N 0 0 167.252 2.495 10 30 AEEERN CCO[C@]1(C#N)CCCC[C@H]1C 85090748 573977167 /nfs/dbraw/zinc/97/71/67/573977167.db2.gz SLOCWVMACJHSDX-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CCCC[C@@H](C#N)OCC 85090566 573976393 /nfs/dbraw/zinc/97/63/93/573976393.db2.gz DKNWHRHCQHPRRS-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CCO[C@H](C#N)c1ccsc1 85090365 573976410 /nfs/dbraw/zinc/97/64/10/573976410.db2.gz GYYQAUDLZGBIJJ-MRVPVSSYSA-N 0 0 167.233 2.349 10 30 AEEERN CO[C@]1(C#N)CCCC[C@H]1C 85091188 573976440 /nfs/dbraw/zinc/97/64/40/573976440.db2.gz GEWZRJWEEIOZLR-BDAKNGLRSA-N 0 0 153.225 2.105 10 30 AEEERN CCCC[C@H](CC)COC[C@H](N)C#N 45324546 573976456 /nfs/dbraw/zinc/97/64/56/573976456.db2.gz QZDKVXXOXQUXLS-WDEREUQCSA-N 0 0 198.310 2.070 10 30 AEEERN COC(OC)/C(C)=N\C1CCCCC1 256081518 573976483 /nfs/dbraw/zinc/97/64/83/573976483.db2.gz RZMKHVCHWZWIMZ-XFXZXTDPSA-N 0 0 199.294 2.399 10 30 AEEERN CCCC#C[C@@H]1CCCC[C@@H]1O 238220522 573976497 /nfs/dbraw/zinc/97/64/97/573976497.db2.gz QEJRJYDNWRJAMT-MNOVXSKESA-N 0 0 166.264 2.341 10 30 AEEERN CCCC#C[C@H](O)Cc1ccccc1 238221029 573976528 /nfs/dbraw/zinc/97/65/28/573976528.db2.gz KQMYICOFHATWFB-ZDUSSCGKSA-N 0 0 188.270 2.394 10 30 AEEERN CO[C@@H](C#N)c1ccc(F)cc1C 85091042 573976543 /nfs/dbraw/zinc/97/65/43/573976543.db2.gz ZHGJONRKMWXZOE-JTQLQIEISA-N 0 0 179.194 2.345 10 30 AEEERN CO[C@@]1(C#N)CCC[C@@H](C2CC2)C1 85090796 573976548 /nfs/dbraw/zinc/97/65/48/573976548.db2.gz FORWAQMFBDIFTR-MNOVXSKESA-N 0 0 179.263 2.495 10 30 AEEERN CCC(C)(C)OCCC[C@](C)(N)C#N 45324853 573976581 /nfs/dbraw/zinc/97/65/81/573976581.db2.gz IHJYKLMVGUDIQR-NSHDSACASA-N 0 0 198.310 2.213 10 30 AEEERN CO[C@H](C#N)c1ccc(F)c(F)c1 85091111 573976597 /nfs/dbraw/zinc/97/65/97/573976597.db2.gz FPZLEKUIZYTWFZ-SECBINFHSA-N 0 0 183.157 2.176 10 30 AEEERN CCCC#C[C@H](O)c1ccc(C)o1 238221089 573976604 /nfs/dbraw/zinc/97/66/04/573976604.db2.gz HWQRGITUCKOTRL-JTQLQIEISA-N 0 0 178.231 2.425 10 30 AEEERN CCCCC[C@@H](C#N)OC 85091097 573976611 /nfs/dbraw/zinc/97/66/11/573976611.db2.gz VPEFQXCFSTVNMJ-QMMMGPOBSA-N 0 0 141.214 2.105 10 30 AEEERN CO[C@H](C#N)[C@@H]1CCC[C@H](C)C1 85091071 573976641 /nfs/dbraw/zinc/97/66/41/573976641.db2.gz ABDBVVPPTMULKS-IVZWLZJFSA-N 0 0 167.252 2.351 10 30 AEEERN O=CCCc1ccc2cnsc2c1 258194204 573976650 /nfs/dbraw/zinc/97/66/50/573976650.db2.gz XQBKKDHCTYDYCX-UHFFFAOYSA-N 0 0 191.255 2.428 10 30 AEEERN CC(C)SCCC[C@](C)(N)C#N 45366316 573976678 /nfs/dbraw/zinc/97/66/78/573976678.db2.gz CNWNRDLKTMPHES-VIFPVBQESA-N 0 0 186.324 2.149 10 30 AEEERN CO[C@H](C#N)[C@@H]1CCC[C@@H](C)C1 85091070 573976681 /nfs/dbraw/zinc/97/66/81/573976681.db2.gz ABDBVVPPTMULKS-OPRDCNLKSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@](C)(C#N)CCC(C)C 85091022 573976699 /nfs/dbraw/zinc/97/66/99/573976699.db2.gz LJEWSLIMSSMSTC-VIFPVBQESA-N 0 0 155.241 2.351 10 30 AEEERN CO[C@@H](C#N)c1ccc(F)cc1F 85091074 573976707 /nfs/dbraw/zinc/97/67/07/573976707.db2.gz HAGFDSWCSSURNR-VIFPVBQESA-N 0 0 183.157 2.176 10 30 AEEERN CCO[C@H](C#N)c1cccs1 85090309 573976718 /nfs/dbraw/zinc/97/67/18/573976718.db2.gz AZLCJQNXLDBSJG-SSDOTTSWSA-N 0 0 167.233 2.349 10 30 AEEERN CCCC#Cc1cc(C)cnc1N 238221761 573976719 /nfs/dbraw/zinc/97/67/19/573976719.db2.gz KEWYMNAXVYYSQS-UHFFFAOYSA-N 0 0 174.247 2.124 10 30 AEEERN CCO[C@]1(C#N)CCO[C@@](C)(CC)C1 85090622 573976721 /nfs/dbraw/zinc/97/67/21/573976721.db2.gz VRAXMASAQQLRQI-WDEREUQCSA-N 0 0 197.278 2.264 10 30 AEEERN CCO[C@H](C#N)c1ccccc1F 85090653 573976725 /nfs/dbraw/zinc/97/67/25/573976725.db2.gz YZCGNDGWHOSKKT-SNVBAGLBSA-N 0 0 179.194 2.427 10 30 AEEERN CCCC#C[C@H](O)CC(C)C 238220984 573976755 /nfs/dbraw/zinc/97/67/55/573976755.db2.gz LCKHOAMHLCVSGS-JTQLQIEISA-N 0 0 154.253 2.197 10 30 AEEERN CC[C@H]1CC[C@@](C#N)(OC)C1 85090788 573976756 /nfs/dbraw/zinc/97/67/56/573976756.db2.gz LWQAUACOJHWQPB-DTWKUNHWSA-N 0 0 153.225 2.105 10 30 AEEERN CO[C@H](C#N)c1sccc1C 85091131 573976759 /nfs/dbraw/zinc/97/67/59/573976759.db2.gz MJPKYMXBJHVNED-SSDOTTSWSA-N 0 0 167.233 2.268 10 30 AEEERN CO[C@]1(C#N)CCc2ccccc2C1 85090760 573976769 /nfs/dbraw/zinc/97/67/69/573976769.db2.gz LXOCOYTYRVUOFZ-GFCCVEGCSA-N 0 0 187.242 2.084 10 30 AEEERN CC1=CC(=O)[C@H]2[C@H]1CCC21CC1 238222084 573976774 /nfs/dbraw/zinc/97/67/74/573976774.db2.gz BKWHZKWDTUSART-WCBMZHEXSA-N 0 0 162.232 2.322 10 30 AEEERN CO[C@@]1(C#N)CCC[C@H](C2CC2)C1 85090794 573976778 /nfs/dbraw/zinc/97/67/78/573976778.db2.gz FORWAQMFBDIFTR-QWRGUYRKSA-N 0 0 179.263 2.495 10 30 AEEERN CO[C@H](C#N)[C@H]1CCC[C@H](C)C1 85091069 573976782 /nfs/dbraw/zinc/97/67/82/573976782.db2.gz ABDBVVPPTMULKS-LPEHRKFASA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@]1(C#N)CCC[C@H](C)[C@H]1C 85091051 573976793 /nfs/dbraw/zinc/97/67/93/573976793.db2.gz WPJYHHDKTIYPCZ-AEJSXWLSSA-N 0 0 167.252 2.351 10 30 AEEERN CO[C@@H](C#N)c1ccc(F)c(F)c1 85091110 573976813 /nfs/dbraw/zinc/97/68/13/573976813.db2.gz FPZLEKUIZYTWFZ-VIFPVBQESA-N 0 0 183.157 2.176 10 30 AEEERN CC[C@H](S)[C@@H](S)CC 104401894 573976815 /nfs/dbraw/zinc/97/68/15/573976815.db2.gz LUONBHMVIZPOEK-WDSKDSINSA-N 0 0 150.312 2.403 10 30 AEEERN CCC(C)(C)OC[C@@H](C#N)NC(C)C 45324841 573976819 /nfs/dbraw/zinc/97/68/19/573976819.db2.gz DYHNSRZYMCROPI-SNVBAGLBSA-N 0 0 198.310 2.082 10 30 AEEERN CCCC#C[C@@H]1CCCC[C@H]1O 238220547 573976827 /nfs/dbraw/zinc/97/68/27/573976827.db2.gz QEJRJYDNWRJAMT-GHMZBOCLSA-N 0 0 166.264 2.341 10 30 AEEERN CO[C@@H](C#N)c1ccc(C)c(F)c1 85090906 573976841 /nfs/dbraw/zinc/97/68/41/573976841.db2.gz SDMJDPYHQFHPJW-JTQLQIEISA-N 0 0 179.194 2.345 10 30 AEEERN C=C[C@@H]1CCC(C)=CC1=O 238221573 573976867 /nfs/dbraw/zinc/97/68/67/573976867.db2.gz GPCWWCPADZBGNI-MRVPVSSYSA-N 0 0 136.194 2.098 10 30 AEEERN CO[C@@]1(C#N)CCC[C@H](C)CC1 85090935 573976880 /nfs/dbraw/zinc/97/68/80/573976880.db2.gz NBOUVLCWMCCJLX-UWVGGRQHSA-N 0 0 167.252 2.495 10 30 AEEERN CO[C@]1(C#N)CCC[C@H](C2CC2)C1 85090793 573976883 /nfs/dbraw/zinc/97/68/83/573976883.db2.gz FORWAQMFBDIFTR-WDEREUQCSA-N 0 0 179.263 2.495 10 30 AEEERN CCCCC[C@H](C#N)OC 85091098 573976891 /nfs/dbraw/zinc/97/68/91/573976891.db2.gz VPEFQXCFSTVNMJ-MRVPVSSYSA-N 0 0 141.214 2.105 10 30 AEEERN CCO[C@H](C#N)c1cccc(F)c1 85090690 573976916 /nfs/dbraw/zinc/97/69/16/573976916.db2.gz DKBQPZBRHHQUMH-SNVBAGLBSA-N 0 0 179.194 2.427 10 30 AEEERN CO[C@@]1(C#N)CCC[C@@H](C)CC1 85090934 573976923 /nfs/dbraw/zinc/97/69/23/573976923.db2.gz NBOUVLCWMCCJLX-ZJUUUORDSA-N 0 0 167.252 2.495 10 30 AEEERN CC[C@@H]1CC[C@@](C#N)(OC)C1 85090787 573976934 /nfs/dbraw/zinc/97/69/34/573976934.db2.gz LWQAUACOJHWQPB-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN CCO[C@H](C#N)CC(C)(C)C 85090463 573976946 /nfs/dbraw/zinc/97/69/46/573976946.db2.gz LWXKBABHELVZGO-QMMMGPOBSA-N 0 0 155.241 2.351 10 30 AEEERN CCO[C@@]1(C#N)CCO[C@H](C(C)C)C1 85090553 573976954 /nfs/dbraw/zinc/97/69/54/573976954.db2.gz IPOZZSGHGZTKHR-QWRGUYRKSA-N 0 0 197.278 2.120 10 30 AEEERN CCO[C@@]1(C#N)CCO[C@@H](C(C)C)C1 85090555 573976961 /nfs/dbraw/zinc/97/69/61/573976961.db2.gz IPOZZSGHGZTKHR-MNOVXSKESA-N 0 0 197.278 2.120 10 30 AEEERN C=CC[C@@]1(C)CC(=O)C(C)=CC1=O 238220692 573976971 /nfs/dbraw/zinc/97/69/71/573976971.db2.gz VOVQDIVJNXMNOK-NSHDSACASA-N 0 0 178.231 2.057 10 30 AEEERN CCO[C@]1(C#N)CC[C@@H](C)C1 85090669 573976983 /nfs/dbraw/zinc/97/69/83/573976983.db2.gz ZBQYBHLJZYRAIO-RKDXNWHRSA-N 0 0 153.225 2.105 10 30 AEEERN O=C(C=CO)c1cccc(F)c1 110898678 573984161 /nfs/dbraw/zinc/98/41/61/573984161.db2.gz QEHFNTRJRPRFLE-SNAWJCMRSA-N 0 0 166.151 2.080 10 30 AEEERN CCC1(CC)CCN[C@H](C#N)C1 238225741 573984190 /nfs/dbraw/zinc/98/41/90/573984190.db2.gz OTCWJUCNGVPVBB-VIFPVBQESA-N 0 0 166.268 2.068 10 30 AEEERN C#CCCC[C@H](NN)[C@H](C)CCC 161017172 573984237 /nfs/dbraw/zinc/98/42/37/573984237.db2.gz FFSKNLYOYSMHJG-MNOVXSKESA-N 0 0 182.311 2.058 10 30 AEEERN CC(C)CC[C@@H](C)C=O 82040221 573984494 /nfs/dbraw/zinc/98/44/94/573984494.db2.gz BTRMPEQZYGQFHA-MRVPVSSYSA-N 0 0 128.215 2.258 10 30 AEEERN CCC1(CC)CCC(O)=C(C=O)C1 238224459 573984531 /nfs/dbraw/zinc/98/45/31/573984531.db2.gz YRWHIRRFYYMPOL-VIFPVBQESA-N 0 0 182.263 2.361 10 30 AEEERN C=CCC[C@@H](O)/C=C/CC 238224650 573984605 /nfs/dbraw/zinc/98/46/05/573984605.db2.gz FVEULAIRVHEBOM-BNICOGTQSA-N 0 0 140.226 2.280 10 30 AEEERN CCC1(CC)CCC(O)=C(C=O)C1 238224446 573984611 /nfs/dbraw/zinc/98/46/11/573984611.db2.gz YRWHIRRFYYMPOL-SECBINFHSA-N 0 0 182.263 2.361 10 30 AEEERN C=C1[C@H]2C(=O)CC[C@@H]2C1(C)C 238225040 573984613 /nfs/dbraw/zinc/98/46/13/573984613.db2.gz CDGTYVBPEGYZPY-IONNQARKSA-N 0 0 150.221 2.178 10 30 AEEERN CCC[C@@H](C)C[C@@H]1CO1 82101559 573984755 /nfs/dbraw/zinc/98/47/55/573984755.db2.gz ILRVDGBLAUXESJ-HTQZYQBOSA-N 0 0 128.215 2.212 10 30 AEEERN CC(C)C1=C(O)C(C(C)C)C1=O 238225197 573984871 /nfs/dbraw/zinc/98/48/71/573984871.db2.gz ZCVPGCZVSRAPQW-ZETCQYMHSA-N 0 0 168.236 2.309 10 30 AEEERN CC1=C/C(=C\CO)[C@@H](C(C)C)CC1=O 238225822 573984985 /nfs/dbraw/zinc/98/49/85/573984985.db2.gz BQZGPJUTXRRRRV-LLMHMKPQSA-N 0 0 194.274 2.096 10 30 AEEERN N#Cc1cc(C2CCCCC2)[nH]n1 259258694 573985071 /nfs/dbraw/zinc/98/50/71/573985071.db2.gz LBARKVGTTFKWHS-UHFFFAOYSA-N 0 0 175.235 2.329 10 30 AEEERN CCC1(CC)CC[C@@H](C#N)C1=O 238225766 573985114 /nfs/dbraw/zinc/98/51/14/573985114.db2.gz BZRLFTCVINRKIK-QMMMGPOBSA-N 0 0 165.236 2.295 10 30 AEEERN CC1=CC(C)(CCCO)C=C(C)C1=O 238225306 573985456 /nfs/dbraw/zinc/98/54/56/573985456.db2.gz JGSTYFHWXRWCRY-UHFFFAOYSA-N 0 0 194.274 2.241 10 30 AEEERN O=C(C=CO)c1ccccc1F 110898681 573985465 /nfs/dbraw/zinc/98/54/65/573985465.db2.gz VLFHZTZAZSMZDE-AATRIKPKSA-N 0 0 166.151 2.080 10 30 AEEERN CC(C)CC[C@H](C)C=O 82040222 573985507 /nfs/dbraw/zinc/98/55/07/573985507.db2.gz BTRMPEQZYGQFHA-QMMMGPOBSA-N 0 0 128.215 2.258 10 30 AEEERN C=C[C@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C 238224558 573985565 /nfs/dbraw/zinc/98/55/65/573985565.db2.gz ABILSNCTMXGGBT-HLTSFMKQSA-N 0 0 164.248 2.424 10 30 AEEERN CCCCC[C@H](C)NCC#N 42570407 573985586 /nfs/dbraw/zinc/98/55/86/573985586.db2.gz OPOKOMZAOJEEBD-VIFPVBQESA-N 0 0 154.257 2.068 10 30 AEEERN O=C[C@@H](F)Cc1ccc(F)c(F)c1 104463732 573990847 /nfs/dbraw/zinc/99/08/47/573990847.db2.gz YIOILMGKWKONGU-ZETCQYMHSA-N 0 0 188.148 2.044 10 30 AEEERN O=C[C@H](F)CC1CCCCC1 104468054 573990871 /nfs/dbraw/zinc/99/08/71/573990871.db2.gz VQDMAEOEWWKEIG-SECBINFHSA-N 0 0 158.216 2.494 10 30 AEEERN CCC[C@@](C)(O)C(C)(C)C#N 87650042 573990921 /nfs/dbraw/zinc/99/09/21/573990921.db2.gz RUYNYVACXMIWGT-SECBINFHSA-N 0 0 155.241 2.087 10 30 AEEERN O=C[C@@H](F)Cc1ccc(F)cc1F 104463379 573990930 /nfs/dbraw/zinc/99/09/30/573990930.db2.gz YCXKHOPQLVTOFC-QMMMGPOBSA-N 0 0 188.148 2.044 10 30 AEEERN CCC[C@](C)(O)C(C)(C)C#N 87650041 573991005 /nfs/dbraw/zinc/99/10/05/573991005.db2.gz RUYNYVACXMIWGT-VIFPVBQESA-N 0 0 155.241 2.087 10 30 AEEERN C=CCCC(=O)C[C@@H]1CCCCO1 128010625 573991062 /nfs/dbraw/zinc/99/10/62/573991062.db2.gz YIZMZTUROIMALG-NSHDSACASA-N 0 0 182.263 2.481 10 30 AEEERN C=CC[C@@H]1[C@@H](CC=O)C1(C)C 238233882 573991159 /nfs/dbraw/zinc/99/11/59/573991159.db2.gz YMEPVWZQHFBKBV-RKDXNWHRSA-N 0 0 152.237 2.424 10 30 AEEERN O=C[C@@H](F)CC1CCCCC1 104468049 573991179 /nfs/dbraw/zinc/99/11/79/573991179.db2.gz VQDMAEOEWWKEIG-VIFPVBQESA-N 0 0 158.216 2.494 10 30 AEEERN C[C@H]1CC[C@]1(C#N)c1ccncc1 87618258 573991221 /nfs/dbraw/zinc/99/12/21/573991221.db2.gz HLSJJSJRJFQNRH-GXSJLCMTSA-N 0 0 172.231 2.273 10 30 AEEERN Cc1ccnc2oc(C#N)cc12 259263400 573991229 /nfs/dbraw/zinc/99/12/29/573991229.db2.gz FSFIGPOZLRZPBY-UHFFFAOYSA-N 0 0 158.160 2.008 10 30 AEEERN N#CCc1ccc2c(c1)NCCS2 259262672 573991327 /nfs/dbraw/zinc/99/13/27/573991327.db2.gz RKQOILWQLWVYPC-UHFFFAOYSA-N 0 0 190.271 2.270 10 30 AEEERN O=C[C@H](F)Cc1ccc(Cl)cc1 104463369 573991377 /nfs/dbraw/zinc/99/13/77/573991377.db2.gz CMFDVFDNQWILBD-SECBINFHSA-N 0 0 186.613 2.420 10 30 AEEERN O=C[C@@H](F)Cc1cc(F)ccc1F 104463722 573991379 /nfs/dbraw/zinc/99/13/79/573991379.db2.gz DZDUEUJTPQAAEB-QMMMGPOBSA-N 0 0 188.148 2.044 10 30 AEEERN N#CCc1cc(Cl)nc(Cl)c1 104466107 573991381 /nfs/dbraw/zinc/99/13/81/573991381.db2.gz APHGXQVICQALTB-UHFFFAOYSA-N 0 0 187.029 2.454 10 30 AEEERN O=C[C@H](F)Cc1cccc(Cl)c1 104463361 573991411 /nfs/dbraw/zinc/99/14/11/573991411.db2.gz CVYVEHSLGLKHFE-SECBINFHSA-N 0 0 186.613 2.420 10 30 AEEERN CC1(C)C[C@@H]2C(=O)CCC[C@@]21C#N 238233942 573991427 /nfs/dbraw/zinc/99/14/27/573991427.db2.gz HRSXFPPXZQJZTP-LDYMZIIASA-N 0 0 177.247 2.295 10 30 AEEERN Cc1ccccc1[C@@H](F)C=O 104467352 573991500 /nfs/dbraw/zinc/99/15/00/573991500.db2.gz BLXHTSKRCCADAI-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN CCC1(Cl)C=CC(=O)C=C1 238232685 573991509 /nfs/dbraw/zinc/99/15/09/573991509.db2.gz BIJGKIWWQBBBCF-UHFFFAOYSA-N 0 0 156.612 2.069 10 30 AEEERN CCCc1nnc(N=[N+]=[N-])s1 238232841 573991536 /nfs/dbraw/zinc/99/15/36/573991536.db2.gz WZHJGIVTQDIQQM-UHFFFAOYSA-N 0 0 169.213 2.432 10 30 AEEERN Cc1ccc([C@@H](F)C=O)cc1 104467344 573991548 /nfs/dbraw/zinc/99/15/48/573991548.db2.gz GONZDOQZIAIWBR-VIFPVBQESA-N 0 0 152.168 2.205 10 30 AEEERN C=CC[C@@H]1[C@H](CC=O)C1(C)C 238233863 573991556 /nfs/dbraw/zinc/99/15/56/573991556.db2.gz YMEPVWZQHFBKBV-BDAKNGLRSA-N 0 0 152.237 2.424 10 30 AEEERN CCC1=C(C)C(=O)C[C@@H]1C 238235564 573995948 /nfs/dbraw/zinc/99/59/48/573995948.db2.gz BCQYOFQAZNHYTB-LURJTMIESA-N 0 0 138.210 2.322 10 30 AEEERN C#CCCC[C@H](NN)[C@@H](C)CCC 161017239 573995316 /nfs/dbraw/zinc/99/53/16/573995316.db2.gz FFSKNLYOYSMHJG-QWRGUYRKSA-N 0 0 182.311 2.058 10 30 AEEERN Cc1cccc(C[C@@H](F)C=O)c1 104469420 573995342 /nfs/dbraw/zinc/99/53/42/573995342.db2.gz NIZQNIRWLKRSQY-SNVBAGLBSA-N 0 0 166.195 2.075 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)[C@@H](C#N)C1=O 238234175 573995368 /nfs/dbraw/zinc/99/53/68/573995368.db2.gz YZFQAKNWLYROIX-OPRDCNLKSA-N 0 0 179.263 2.397 10 30 AEEERN CN(C)c1cc(CC#N)cc(F)c1F 259591124 573995373 /nfs/dbraw/zinc/99/53/73/573995373.db2.gz YJYVRYBZEIPWQW-UHFFFAOYSA-N 0 0 196.200 2.097 10 30 AEEERN CCC[C@]1(C)C=CC(=O)C1 238235575 573995379 /nfs/dbraw/zinc/99/53/79/573995379.db2.gz WYHXBDDXMVURHE-SECBINFHSA-N 0 0 138.210 2.322 10 30 AEEERN CC[C@@H](CC#N)S[C@@H](C)CCO 85143540 573995381 /nfs/dbraw/zinc/99/53/81/573995381.db2.gz CWTCTDNQTLNPRK-IUCAKERBSA-N 0 0 187.308 2.183 10 30 AEEERN CC1(C)Oc2ccc(CC#N)cc2O1 104470577 573995382 /nfs/dbraw/zinc/99/53/82/573995382.db2.gz ZSAWLHSYYFHGDD-UHFFFAOYSA-N 0 0 189.214 2.260 10 30 AEEERN C=C[C@@H]1[C@@H](CC=O)C1(C)C 238234085 573995567 /nfs/dbraw/zinc/99/55/67/573995567.db2.gz XRZLFXWAGBTWED-HTQZYQBOSA-N 0 0 138.210 2.034 10 30 AEEERN CC(C)[C@H]1CC[C@@H](C)C/C(=N/O)N1 238234150 573995880 /nfs/dbraw/zinc/99/58/80/573995880.db2.gz NVHYREPQGAZFBI-RKDXNWHRSA-N 0 0 184.283 2.208 10 30 AEEERN N#CC1(CC2CCCCC2)COC1 259266637 574001022 /nfs/dbraw/zinc/00/10/22/574001022.db2.gz XYNFVWXFCKEIIH-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN CCc1ccc([C@@H](C=O)N(C)C)cc1 259264863 574001096 /nfs/dbraw/zinc/00/10/96/574001096.db2.gz BWKWCMLGZNAXDH-GFCCVEGCSA-N 0 0 191.274 2.051 10 30 AEEERN CC1=CC[C@@H](O)C[C@@H]1C(C)(C)C#N 238237999 574001455 /nfs/dbraw/zinc/00/14/55/574001455.db2.gz CGDGRULDESCCGK-ZJUUUORDSA-N 0 0 179.263 2.253 10 30 AEEERN CC1=CC[C@@H](CC=O)[C@]1(C)CC#N 238237367 574001534 /nfs/dbraw/zinc/00/15/34/574001534.db2.gz ROOBPAIVEDXRON-WDEREUQCSA-N 0 0 177.247 2.462 10 30 AEEERN C=C[C@@](C)(CO)SCCC 238238310 574001541 /nfs/dbraw/zinc/00/15/41/574001541.db2.gz CFUKRDLOKCSOOC-QMMMGPOBSA-N 0 0 160.282 2.067 10 30 AEEERN C/C(Cl)=C/C(=O)C(C)C 223736917 574005490 /nfs/dbraw/zinc/00/54/90/574005490.db2.gz SQOGHLQUFZPDAZ-XQRVVYSFSA-N 0 0 146.617 2.354 10 30 AEEERN C=C[C@@H]1CN(CC)c2ccccc2N1 238245518 574005654 /nfs/dbraw/zinc/00/56/54/574005654.db2.gz SOGVLIPIJHHJJA-SNVBAGLBSA-N 0 0 188.274 2.493 10 30 AEEERN CCCCC1=CC(=O)C(C)(C)O1 238239793 574005660 /nfs/dbraw/zinc/00/56/60/574005660.db2.gz JTBMXXBZRAOWDO-UHFFFAOYSA-N 0 0 168.236 2.438 10 30 AEEERN C=C=CC(=O)CCC(C)=C=CC 238240333 574005691 /nfs/dbraw/zinc/00/56/91/574005691.db2.gz WWCKLOYCCUTZRQ-UHFFFAOYSA-N 0 0 162.232 2.480 10 30 AEEERN C#Cc1cc(CCC)ccn1 209772586 574005724 /nfs/dbraw/zinc/00/57/24/574005724.db2.gz QKCRIUIRWOCKJR-UHFFFAOYSA-N 0 0 145.205 2.015 10 30 AEEERN N#CC[C@H](N)c1ccsc1Cl 104486615 574005923 /nfs/dbraw/zinc/00/59/23/574005923.db2.gz GBNWQUUDVBTGCM-LURJTMIESA-N 0 0 186.667 2.315 10 30 AEEERN [N-]=[N+]=Nc1ncnc2c1CCCC2 87667469 574008017 /nfs/dbraw/zinc/00/80/17/574008017.db2.gz UEVIILKYJSYYCX-UHFFFAOYSA-N 0 0 175.195 2.297 10 30 AEEERN CCOc1cc(N=[N+]=[N-])nc(C)n1 87667306 574008062 /nfs/dbraw/zinc/00/80/62/574008062.db2.gz UEIANZCBIAUASP-UHFFFAOYSA-N 0 0 179.183 2.126 10 30 AEEERN N#Cc1cc2c(nc1N=[N+]=[N-])CCC2 87667360 574008106 /nfs/dbraw/zinc/00/81/06/574008106.db2.gz OBGOXHNGNYOCQP-UHFFFAOYSA-N 0 0 185.190 2.384 10 30 AEEERN CCCCC[C@@H](C=O)SC 238240212 574007625 /nfs/dbraw/zinc/00/76/25/574007625.db2.gz XWPBTSIMYVNJRZ-QMMMGPOBSA-N 0 0 160.282 2.497 10 30 AEEERN CCC[C@@H]1C(O)=CC(=O)[C@@H]1C 238239219 574007643 /nfs/dbraw/zinc/00/76/43/574007643.db2.gz FNEUWIVATAEBHI-RQJHMYQMSA-N 0 0 154.209 2.063 10 30 AEEERN C=C[C@]1(C)CC=C(C)C(=O)C1 238240012 574007656 /nfs/dbraw/zinc/00/76/56/574007656.db2.gz ODKBTWLKSSWNJB-SNVBAGLBSA-N 0 0 150.221 2.488 10 30 AEEERN C=CCc1cc(OC)c(O)cc1OC 14680174 574007677 /nfs/dbraw/zinc/00/76/77/574007677.db2.gz WPWFNFQROATLTG-UHFFFAOYSA-N 0 0 194.230 2.138 10 30 endogenous,in-man AEEERN [N-]=[N+]=Nc1nc(C2CC2)ns1 87667465 574007697 /nfs/dbraw/zinc/00/76/97/574007697.db2.gz XWIGEOLOVONVPE-UHFFFAOYSA-N 0 0 167.197 2.357 10 30 AEEERN CCCc1nsc(N=[N+]=[N-])n1 87667398 574007713 /nfs/dbraw/zinc/00/77/13/574007713.db2.gz AVAZYWOLGSJBCN-UHFFFAOYSA-N 0 0 169.213 2.432 10 30 AEEERN CCCc1cc(N=[N+]=[N-])ncn1 87667458 574007735 /nfs/dbraw/zinc/00/77/35/574007735.db2.gz POCKRMNYKMJPRX-UHFFFAOYSA-N 0 0 163.184 2.371 10 30 AEEERN [N-]=[N+]=NC1=NC(=O)c2ccccc2C1 87667330 574007820 /nfs/dbraw/zinc/00/78/20/574007820.db2.gz TYSGGOPJQNKJQT-UHFFFAOYSA-N 0 0 186.174 2.470 10 30 AEEERN CCCC[C@H]1C[C@@H]1C=O 238245413 574007881 /nfs/dbraw/zinc/00/78/81/574007881.db2.gz KQPILNRTJUWQMO-JGVFFNPUSA-N 0 0 126.199 2.012 10 30 AEEERN CC1=CC[C@H]2C(=O)C=C[C@H]2C1 238239525 574007887 /nfs/dbraw/zinc/00/78/87/574007887.db2.gz IZDDFXLICQKAKQ-DTWKUNHWSA-N 0 0 148.205 2.098 10 30 AEEERN Cc1ccc2c(c1)[C@@H](C=O)CS2 258204201 574007909 /nfs/dbraw/zinc/00/79/09/574007909.db2.gz UUITUGXZMRJALQ-QMMMGPOBSA-N 0 0 178.256 2.383 10 30 AEEERN CCC[C@@H]1C(O)=CC(=O)[C@H]1C 238240407 574007918 /nfs/dbraw/zinc/00/79/18/574007918.db2.gz FNEUWIVATAEBHI-BQBZGAKWSA-N 0 0 154.209 2.063 10 30 AEEERN CC(=O)/C=C/c1cncn1C(C)C 85188459 574007962 /nfs/dbraw/zinc/00/79/62/574007962.db2.gz RJLYBCGXMPZSML-SNAWJCMRSA-N 0 0 178.235 2.066 10 30 AEEERN CCCC[C@H]1C[C@]1(C)C=O 238246451 574008753 /nfs/dbraw/zinc/00/87/53/574008753.db2.gz TUYVLQIIBLPUSF-DTWKUNHWSA-N 0 0 140.226 2.402 10 30 AEEERN CC(C)Oc1cc(N=[N+]=[N-])ncn1 87667466 574008175 /nfs/dbraw/zinc/00/81/75/574008175.db2.gz WLCANWBBTFDQJV-UHFFFAOYSA-N 0 0 179.183 2.206 10 30 AEEERN SC[C@@H]1CNc2ccccc21 258201314 574008183 /nfs/dbraw/zinc/00/81/83/574008183.db2.gz PWIKDUBJCQZKHA-ZETCQYMHSA-N 0 0 165.261 2.126 10 30 AEEERN C=CC[C@H]([NH3+])c1cc([O-])c(F)c(F)c1 104492465 574008192 /nfs/dbraw/zinc/00/81/92/574008192.db2.gz ZLLWRJVXOJHVPT-QMMMGPOBSA-N 0 0 199.200 2.246 10 30 AEEERN CCc1cc(N=[N+]=[N-])nc(C)n1 87667464 574008299 /nfs/dbraw/zinc/00/82/99/574008299.db2.gz OQBXLQRCMJHGQW-UHFFFAOYSA-N 0 0 163.184 2.289 10 30 AEEERN Cc1cc(N=[N+]=[N-])ncc1[N+](=O)[O-] 87667433 574008409 /nfs/dbraw/zinc/00/84/09/574008409.db2.gz MVMUPGFYZROLHM-UHFFFAOYSA-N 0 0 179.139 2.240 10 30 AEEERN [N-]=[N+]=Nc1ccc(F)cn1 87667357 574008571 /nfs/dbraw/zinc/00/85/71/574008571.db2.gz XXFMRGLFIBZCNN-UHFFFAOYSA-N 0 0 138.105 2.163 10 30 AEEERN CC/C(C)=C(/C)C(C)=O 111333021 574008636 /nfs/dbraw/zinc/00/86/36/574008636.db2.gz WRHRFVOAEDXVPC-SREVYHEPSA-N 0 0 126.199 2.322 10 30 AEEERN C=C(CC)C[C@H](O)C[C@H](C)OC 128127881 574018537 /nfs/dbraw/zinc/01/85/37/574018537.db2.gz QXMIZWHMXFMTFA-UWVGGRQHSA-N 0 0 172.268 2.129 10 30 AEEERN C=C(C)C(=O)[C@H]1CCCCS1 87701685 574018844 /nfs/dbraw/zinc/01/88/44/574018844.db2.gz CRBCEHXGDQJIDP-MRVPVSSYSA-N 0 0 170.277 2.417 10 30 AEEERN C=C(C)C(=O)[C@@H]1CCCCS1 87701683 574019111 /nfs/dbraw/zinc/01/91/11/574019111.db2.gz CRBCEHXGDQJIDP-QMMMGPOBSA-N 0 0 170.277 2.417 10 30 AEEERN C=C(CO)C[C@]1(C)CCC[C@H](C)C1=O 211438617 574023518 /nfs/dbraw/zinc/02/35/18/574023518.db2.gz CJUHLOYWAZFCNU-JQWIXIFHSA-N 0 0 196.290 2.320 10 30 AEEERN C[C@@H](C#N)Oc1ccc2[nH]ccc2c1 87723390 574023523 /nfs/dbraw/zinc/02/35/23/574023523.db2.gz FJQJGMXZFIXGBF-QMMMGPOBSA-N 0 0 186.214 2.459 10 30 AEEERN CCC1([C@@H](C#N)NC2CC2)CCC1 686133469 574023529 /nfs/dbraw/zinc/02/35/29/574023529.db2.gz OTGDVYLBUDTWFV-SNVBAGLBSA-N 0 0 178.279 2.211 10 30 AEEERN N#CC1(c2ccc3c(c2)CCN3)CC1 259278943 574023568 /nfs/dbraw/zinc/02/35/68/574023568.db2.gz SWMGMNJZIFCMFL-UHFFFAOYSA-N 0 0 184.242 2.210 10 30 AEEERN CN[C@@H](c1ccc(C)o1)C(C)(C)C#N 259278931 574023655 /nfs/dbraw/zinc/02/36/55/574023655.db2.gz IFJYEFUGDROURD-JTQLQIEISA-N 0 0 192.262 2.398 10 30 AEEERN Cc1ccc([C@H](S)N(C)C)cc1 259277807 574023745 /nfs/dbraw/zinc/02/37/45/574023745.db2.gz CGYOHNKAADXESJ-JTQLQIEISA-N 0 0 181.304 2.485 10 30 AEEERN CN[C@H](c1ccc(C)o1)C(C)(C)C#N 259278933 574023757 /nfs/dbraw/zinc/02/37/57/574023757.db2.gz IFJYEFUGDROURD-SNVBAGLBSA-N 0 0 192.262 2.398 10 30 AEEERN C=CCN1C[C@H](C#N)CCC1(C)C 259277557 574023764 /nfs/dbraw/zinc/02/37/64/574023764.db2.gz GIQGXFRHTMGNKW-JTQLQIEISA-N 0 0 178.279 2.187 10 30 AEEERN Cc1cn(-c2c(C)cccc2C#N)cn1 716932826 574024039 /nfs/dbraw/zinc/02/40/39/574024039.db2.gz OJCVMBRATNBOJR-UHFFFAOYSA-N 0 0 197.241 2.361 10 30 AEEERN C=C[C@H](C)OC(=O)CC(C)C 143831285 574032604 /nfs/dbraw/zinc/03/26/04/574032604.db2.gz LFXYJUDBZYSDIZ-QMMMGPOBSA-N 0 0 156.225 2.150 10 30 AEEERN CC(C)c1ncc(C#N)n1C(C)C 259287443 574032617 /nfs/dbraw/zinc/03/26/17/574032617.db2.gz HPRBQYPMZQEXCV-UHFFFAOYSA-N 0 0 177.251 2.459 10 30 AEEERN N#Cc1ccc(N)c2c(F)csc12 306955341 574032620 /nfs/dbraw/zinc/03/26/20/574032620.db2.gz AFHGDDRISFFILZ-UHFFFAOYSA-N 0 0 192.218 2.494 10 30 AEEERN N#CC[C@@H]1CCCc2cccn21 143707503 574032712 /nfs/dbraw/zinc/03/27/12/574032712.db2.gz LOULAJFXJMKYFA-JTQLQIEISA-N 0 0 160.220 2.279 10 30 AEEERN NC=C(C=O)c1ccc(Cl)cc1 143792332 574032891 /nfs/dbraw/zinc/03/28/91/574032891.db2.gz MMPTWCURYWYSQB-QMMMGPOBSA-N 0 0 181.622 2.272 10 30 AEEERN C[C@H](Nc1ccncc1C#N)C1CC1 306954433 574032948 /nfs/dbraw/zinc/03/29/48/574032948.db2.gz ODSOHBHAYUHAJK-QMMMGPOBSA-N 0 0 187.246 2.164 10 30 AEEERN C[C@@H](C#N)Oc1nccc2occc12 143822895 574032959 /nfs/dbraw/zinc/03/29/59/574032959.db2.gz FFVMNZHPKNOQGI-ZETCQYMHSA-N 0 0 188.186 2.119 10 30 AEEERN CC[C@H](C)Oc1cc(C)ncc1C#N 306954749 574033164 /nfs/dbraw/zinc/03/31/64/574033164.db2.gz OWZXKWXXLYQAOC-VIFPVBQESA-N 0 0 190.246 2.439 10 30 AEEERN CSc1nnc([C@H](C#N)C(C)C)o1 259287042 574033239 /nfs/dbraw/zinc/03/32/39/574033239.db2.gz UBUTWXONKHCLMP-ZCFIWIBFSA-N 0 0 197.263 2.055 10 30 AEEERN CCCC#C[C@@H]1CCC(=O)[C@@H]1C 143716455 574033294 /nfs/dbraw/zinc/03/32/94/574033294.db2.gz CGHLTXDUZHXJJV-NXEZZACHSA-N 0 0 164.248 2.405 10 30 AEEERN CCCC#C[C@@H]1CCC(=O)[C@H]1C 143716887 574033313 /nfs/dbraw/zinc/03/33/13/574033313.db2.gz CGHLTXDUZHXJJV-VHSXEESVSA-N 0 0 164.248 2.405 10 30 AEEERN CCCC#C[C@H]1CCC(=O)[C@H]1C 143717072 574033511 /nfs/dbraw/zinc/03/35/11/574033511.db2.gz CGHLTXDUZHXJJV-UWVGGRQHSA-N 0 0 164.248 2.405 10 30 AEEERN C=C[C@H]1Cc2ccccc2N1 143720231 574033519 /nfs/dbraw/zinc/03/35/19/574033519.db2.gz CMUHDSVLLXHDMP-VIFPVBQESA-N 0 0 145.205 2.209 10 30 AEEERN CSc1nnc([C@@H](C#N)C(C)C)o1 259287038 574033523 /nfs/dbraw/zinc/03/35/23/574033523.db2.gz UBUTWXONKHCLMP-LURJTMIESA-N 0 0 197.263 2.055 10 30 AEEERN CC1(C)CCC2=CC(=O)C=CC2=N1 143764544 574033544 /nfs/dbraw/zinc/03/35/44/574033544.db2.gz IVOURWRCORDRAH-UHFFFAOYSA-N 0 0 175.231 2.065 10 30 AEEERN C/C=C1\CCc2cccnc2C1=O 143755457 574033656 /nfs/dbraw/zinc/03/36/56/574033656.db2.gz RIPKPIRQIINPID-KRXBUXKQSA-N 0 0 173.215 2.157 10 30 AEEERN CC(C)c1ccc2onc(C#N)c2n1 259287189 574033954 /nfs/dbraw/zinc/03/39/54/574033954.db2.gz ARJHFXHICNWNTD-UHFFFAOYSA-N 0 0 187.202 2.218 10 30 AEEERN NC=C(C=O)c1ccc(Cl)cc1 143792550 574034026 /nfs/dbraw/zinc/03/40/26/574034026.db2.gz MMPTWCURYWYSQB-MRVPVSSYSA-N 0 0 181.622 2.272 10 30 AEEERN Cc1cc2oc(C#N)cc2cc1N 259293873 574039171 /nfs/dbraw/zinc/03/91/71/574039171.db2.gz BDBLTHULGUDIRH-UHFFFAOYSA-N 0 0 172.187 2.195 10 30 AEEERN CCC[C@H](CC=O)[C@H](C)F 258470525 574039179 /nfs/dbraw/zinc/03/91/79/574039179.db2.gz IDRGVMBPGDKGMZ-JGVFFNPUSA-N 0 0 146.205 2.350 10 30 AEEERN CCC[C@@H](CC=O)[C@H](C)F 258470527 574039326 /nfs/dbraw/zinc/03/93/26/574039326.db2.gz IDRGVMBPGDKGMZ-YUMQZZPRSA-N 0 0 146.205 2.350 10 30 AEEERN N#C[C@H](c1ccccc1)c1ccncn1 258468005 574039352 /nfs/dbraw/zinc/03/93/52/574039352.db2.gz ACBAJWGLPDICOL-LLVKDONJSA-N 0 0 195.225 2.132 10 30 AEEERN N#Cc1cc(C#N)c2scc(N)c2c1 306980734 574039384 /nfs/dbraw/zinc/03/93/84/574039384.db2.gz HCMCZBQDXLYWPA-UHFFFAOYSA-N 0 0 199.238 2.227 10 30 AEEERN CSc1ccc2oc(C#N)nc2c1 306983891 574039562 /nfs/dbraw/zinc/03/95/62/574039562.db2.gz UHQNZOLKDGEANQ-UHFFFAOYSA-N 0 0 190.227 2.421 10 30 AEEERN C[C@H]1C[C@@H](C=O)N(c2ccccc2)C1 211490945 574039576 /nfs/dbraw/zinc/03/95/76/574039576.db2.gz ACKMJGIIARTPTM-JQWIXIFHSA-N 0 0 189.258 2.100 10 30 AEEERN CC(O)=CC(=O)C(C)(C)C 100221403 574039643 /nfs/dbraw/zinc/03/96/43/574039643.db2.gz ADKXSDNPFKCVRC-FNORWQNLSA-N 0 0 142.198 2.063 10 30 AEEERN CC[C@H](NCC#N)c1cccs1 49530747 574039687 /nfs/dbraw/zinc/03/96/87/574039687.db2.gz XDJVVGMGHFFZMB-QMMMGPOBSA-N 0 0 180.276 2.312 10 30 AEEERN CC(C)CCC[C@H]1CO1 113000931 574044015 /nfs/dbraw/zinc/04/40/15/574044015.db2.gz JXAGBFXMUBZHEP-QMMMGPOBSA-N 0 0 128.215 2.212 10 30 AEEERN N#CCC1(C2CCCCC2)COC1 258468247 574044144 /nfs/dbraw/zinc/04/41/44/574044144.db2.gz AGUNCNRNCXWMSA-UHFFFAOYSA-N 0 0 179.263 2.497 10 30 AEEERN CCC[C@H](C)[C@@H]1O[C@@H]1C 112999012 574044166 /nfs/dbraw/zinc/04/41/66/574044166.db2.gz CAGHUMFSQKAFSH-RNJXMRFFSA-N 0 0 128.215 2.210 10 30 AEEERN CCC(CC)C[C@@H]1CO1 112999351 574044530 /nfs/dbraw/zinc/04/45/30/574044530.db2.gz MWACMNKRSCZWRO-MRVPVSSYSA-N 0 0 128.215 2.212 10 30 AEEERN CSCCON=CC(C)(C)C 393613262 574044535 /nfs/dbraw/zinc/04/45/35/574044535.db2.gz HBVNHCMSJPCXNN-UHFFFAOYSA-N 0 0 175.297 2.398 10 30 AEEERN CCCC[C@@H](C)[C@@H]1CO1 113000115 574044545 /nfs/dbraw/zinc/04/45/45/574044545.db2.gz CQCSYHVWGDSQJJ-SFYZADRCSA-N 0 0 128.215 2.212 10 30 AEEERN CC[C@H](C)CC[C@H]1CO1 113000597 574044547 /nfs/dbraw/zinc/04/45/47/574044547.db2.gz XKNGWAHNOBPIEZ-YUMQZZPRSA-N 0 0 128.215 2.212 10 30 AEEERN CCCC[C@H](C)[C@@H]1CO1 113000117 574045060 /nfs/dbraw/zinc/04/50/60/574045060.db2.gz CQCSYHVWGDSQJJ-YUMQZZPRSA-N 0 0 128.215 2.212 10 30 AEEERN C=CCNC(=O)OCCCCC 112971322 574045171 /nfs/dbraw/zinc/04/51/71/574045171.db2.gz CAIADDPGLUPJJA-UHFFFAOYSA-N 0 0 171.240 2.089 10 30 AEEERN CC[C@@H](C)CC[C@H]1CO1 113000595 574044618 /nfs/dbraw/zinc/04/46/18/574044618.db2.gz XKNGWAHNOBPIEZ-SFYZADRCSA-N 0 0 128.215 2.212 10 30 AEEERN CC[C@H](C)CC[C@@H]1CO1 113000594 574044725 /nfs/dbraw/zinc/04/47/25/574044725.db2.gz XKNGWAHNOBPIEZ-JGVFFNPUSA-N 0 0 128.215 2.212 10 30 AEEERN CCC(CC)C[C@H]1CO1 112999353 574044802 /nfs/dbraw/zinc/04/48/02/574044802.db2.gz MWACMNKRSCZWRO-QMMMGPOBSA-N 0 0 128.215 2.212 10 30 AEEERN CC[C@@H](C)CC[C@@H]1CO1 113000592 574044816 /nfs/dbraw/zinc/04/48/16/574044816.db2.gz XKNGWAHNOBPIEZ-HTQZYQBOSA-N 0 0 128.215 2.212 10 30 AEEERN CCCC[C@H](C)[C@H]1CO1 113000120 574044904 /nfs/dbraw/zinc/04/49/04/574044904.db2.gz CQCSYHVWGDSQJJ-JGVFFNPUSA-N 0 0 128.215 2.212 10 30 AEEERN CCCC[C@@H](C)[C@H]1CO1 113000118 574045037 /nfs/dbraw/zinc/04/50/37/574045037.db2.gz CQCSYHVWGDSQJJ-HTQZYQBOSA-N 0 0 128.215 2.212 10 30 AEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1C 308288442 491093131 /nfs/dbraw/zinc/09/31/31/491093131.db2.gz FNVXKJKBFMOQST-FXPVBKGRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCCCNC(=O)[C@H]1CC1(C)C 308288788 491093189 /nfs/dbraw/zinc/09/31/89/491093189.db2.gz FVCPHIHLKXIIPA-SECBINFHSA-N 0 0 181.279 2.115 10 30 AEEERN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]1C 308288441 491093194 /nfs/dbraw/zinc/09/31/94/491093194.db2.gz FNVXKJKBFMOQST-ATZCPNFKSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H]1C 308288443 491093212 /nfs/dbraw/zinc/09/32/12/491093212.db2.gz FNVXKJKBFMOQST-IQJOONFLSA-N 0 0 181.279 2.113 10 30 AEEERN CC(C)CN[C@@H](C#N)[C@@H]1CC=CCC1 37939234 517423853 /nfs/dbraw/zinc/42/38/53/517423853.db2.gz VMVXCTWWOSMRRB-NEPJUHHUSA-N 0 0 192.306 2.480 10 30 AEEERN C[C@@]1(c2ccc3c(c2)CCCO3)CO1 82530341 518181478 /nfs/dbraw/zinc/18/14/78/518181478.db2.gz HYJWFCHEELTFCP-LBPRGKRZSA-N 0 0 190.242 2.257 10 30 AEEERN C#Cc1ccc(N2CCCCC2)nc1 95761557 518358553 /nfs/dbraw/zinc/35/85/53/518358553.db2.gz IDHINDRYWQVIPK-UHFFFAOYSA-N 0 0 186.258 2.053 10 30 AEEERN C/N=C(\SC)c1ccccc1 102134300 518572194 /nfs/dbraw/zinc/57/21/94/518572194.db2.gz PCHKPGSXUAGLCS-KTKRTIGZSA-N 0 0 165.261 2.426 10 30 AEEERN C=C(C)CN1CCNc2ccccc21 76894432 518607980 /nfs/dbraw/zinc/60/79/80/518607980.db2.gz YGVIDMNRYPIHPA-UHFFFAOYSA-N 0 0 188.274 2.495 10 30 AEEERN C=CCN1CCCc2ccc(N)cc21 32008101 518860776 /nfs/dbraw/zinc/86/07/76/518860776.db2.gz WENWOQHDJVUTSM-UHFFFAOYSA-N 0 0 188.274 2.207 10 30 AEEERN C=C[C@H]1CN(C)c2ccccc2N1C 39115349 519300809 /nfs/dbraw/zinc/30/08/09/519300809.db2.gz UAYYGTFOFYZVSV-JTQLQIEISA-N 0 0 188.274 2.127 10 30 AEEERN CC(/C=C/c1ccco1)=NO 390822646 519349033 /nfs/dbraw/zinc/34/90/33/519349033.db2.gz FQVOTFYZEZERCB-DDOVINDASA-N 0 0 151.165 2.143 10 30 AEEERN CC(/C=C\c1ccco1)=NO 390822647 519349861 /nfs/dbraw/zinc/34/98/61/519349861.db2.gz FQVOTFYZEZERCB-ZHLCBAHCSA-N 0 0 151.165 2.143 10 30 AEEERN CC(=O)/C=C\C=C/Br 83260046 519356418 /nfs/dbraw/zinc/35/64/18/519356418.db2.gz AFWNEMSTTOCVJE-JVLMNHKTSA-N 0 0 175.025 2.040 10 30 AEEERN CCCCCCCOC(=O)CC#N 100072010 520059165 /nfs/dbraw/zinc/05/91/65/520059165.db2.gz SJDCJXRWNRXTNZ-UHFFFAOYSA-N 0 0 183.251 2.414 10 30 AEEERN CCNc1c(F)cc(C#N)cc1F 82285448 520255011 /nfs/dbraw/zinc/25/50/11/520255011.db2.gz DUCMFJRDWRWKKR-UHFFFAOYSA-N 0 0 182.173 2.268 10 30 AEEERN CC1(C)[C@H]2C[C@@](C)(C=O)C[C@H]21 306393859 520644679 /nfs/dbraw/zinc/64/46/79/520644679.db2.gz HODJJSXHJFNBQH-MBTKJCJQSA-N 0 0 152.237 2.258 10 30 AEEERN C=C(C)CNN=Cc1cccc(C)c1 811652327 629655480 /nfs/dbraw/zinc/65/54/80/629655480.db2.gz HXQSDOJDKMWQHP-UHFFFAOYSA-N 0 0 188.274 2.495 10 30 AEEERN C=C(C)CNN=Cc1ccccc1C 811652627 629655680 /nfs/dbraw/zinc/65/56/80/629655680.db2.gz RXQNAIMOKPUWHP-UHFFFAOYSA-N 0 0 188.274 2.495 10 30 AEEERN C=C(Cl)COc1cccnc1C#N 306586771 629663226 /nfs/dbraw/zinc/66/32/26/629663226.db2.gz LKSRVFXUDLRVKF-UHFFFAOYSA-N 0 0 194.621 2.085 10 30 AEEERN CN(CC#N)C[C@@H]1CC2CCC1CC2 306611092 629665467 /nfs/dbraw/zinc/66/54/67/629665467.db2.gz LNBWGUCVNQCICI-MCIGGMRASA-N 0 0 192.306 2.268 10 30 AEEERN CN(CC#N)C[C@H]1CC2CCC1CC2 306611091 629666282 /nfs/dbraw/zinc/66/62/82/629666282.db2.gz LNBWGUCVNQCICI-HTAVTVPLSA-N 0 0 192.306 2.268 10 30 AEEERN Cc1ccsc1C(=O)O[C@@H](C)C#N 306624962 629667524 /nfs/dbraw/zinc/66/75/24/629667524.db2.gz GELVUKSSIMZWAG-ZETCQYMHSA-N 0 0 195.243 2.125 10 30 AEEERN c1cc(N=NC2CCCC2)ccn1 306645628 629670187 /nfs/dbraw/zinc/67/01/87/629670187.db2.gz CMORUJQCMIJMEU-UHFFFAOYSA-N 0 0 175.235 2.424 10 30 AEEERN CC1CC(=NNC2CCCC2)C1 306702628 629671056 /nfs/dbraw/zinc/67/10/56/629671056.db2.gz AGQCUHYXEMDWOL-UHFFFAOYSA-N 0 0 166.268 2.305 10 30 AEEERN C=CCN(CC=C)C(=O)/C=C/C=C\C 218113162 629679667 /nfs/dbraw/zinc/67/96/67/629679667.db2.gz CDZVIWWWHJXIQU-NKUJDFQBSA-N 0 0 191.274 2.319 10 30 AEEERN C#CCCN1CCCC[C@H]1C(F)F 306201751 629688409 /nfs/dbraw/zinc/68/84/09/629688409.db2.gz OSUGCCJIOLCKPY-VIFPVBQESA-N 0 0 187.233 2.129 10 30 AEEERN C=CCNN=C1CCCCC1 306483697 629705164 /nfs/dbraw/zinc/70/51/64/629705164.db2.gz HDFSMJQLDGZKNU-UHFFFAOYSA-N 0 0 152.241 2.082 10 30 AEEERN Cc1cc(C(=O)O[C@H](C)C#N)cs1 306989935 629710626 /nfs/dbraw/zinc/71/06/26/629710626.db2.gz ICQZLWDJMOFBMW-ZCFIWIBFSA-N 0 0 195.243 2.125 10 30 AEEERN C[C@H](S)c1ccc(NC(N)=O)cc1 757159532 629720843 /nfs/dbraw/zinc/72/08/43/629720843.db2.gz NJPPXBXHOJOSOQ-LURJTMIESA-N 0 0 196.275 2.168 10 30 AEEERN Cc1cc(C(=O)O[C@@H](C)C#N)cs1 306989934 629712655 /nfs/dbraw/zinc/71/26/55/629712655.db2.gz ICQZLWDJMOFBMW-LURJTMIESA-N 0 0 195.243 2.125 10 30 AEEERN C#C[C@@H](C)OC(=O)C=C1CCCC1 306972482 629713701 /nfs/dbraw/zinc/71/37/01/629713701.db2.gz WBFHOIREDOOZJK-SECBINFHSA-N 0 0 178.231 2.052 10 30 AEEERN CCO[C@H]1C[C@H](S)C12CCC2 757159554 629716303 /nfs/dbraw/zinc/71/63/03/629716303.db2.gz OVTOUFJLEQZPCB-YUMQZZPRSA-N 0 0 172.293 2.264 10 30 AEEERN SCc1ccn(-c2ccccc2)n1 757160164 629716551 /nfs/dbraw/zinc/71/65/51/629716551.db2.gz KKPODYWABZBRLM-UHFFFAOYSA-N 0 0 190.271 2.302 10 30 AEEERN S[C@@H]1CCC[C@@H]2CSC[C@@H]21 757159867 629716545 /nfs/dbraw/zinc/71/65/45/629716545.db2.gz YXUILOVNPJYZMW-GJMOJQLCSA-N 0 0 174.334 2.448 10 30 AEEERN N#CCOc1cccc(CS)c1 757159671 629716741 /nfs/dbraw/zinc/71/67/41/629716741.db2.gz GLOSMYYRCLOLSM-UHFFFAOYSA-N 0 0 179.244 2.019 10 30 AEEERN Cc1nc2scc(C)n2c1CS 757160080 629716807 /nfs/dbraw/zinc/71/68/07/629716807.db2.gz IVZAXCYRQQXQQT-UHFFFAOYSA-N 0 0 198.316 2.442 10 30 AEEERN CCO[C@@H]1C[C@@H](S)C12CCC2 757159540 629716882 /nfs/dbraw/zinc/71/68/82/629716882.db2.gz OVTOUFJLEQZPCB-HTQZYQBOSA-N 0 0 172.293 2.264 10 30 AEEERN S[C@@H]1CC[C@H]2CC[C@H]12 757158668 629716900 /nfs/dbraw/zinc/71/69/00/629716900.db2.gz AKHZFSPHMPIHRL-DSYKOEDSSA-N 0 0 128.240 2.105 10 30 AEEERN S[C@@H]1CCC[C@H]2CSC[C@@H]12 757159879 629717315 /nfs/dbraw/zinc/71/73/15/629717315.db2.gz YXUILOVNPJYZMW-XLPZGREQSA-N 0 0 174.334 2.448 10 30 AEEERN S[C@@H]1CC[C@@H]2CC[C@@H]21 757158776 629717323 /nfs/dbraw/zinc/71/73/23/629717323.db2.gz AKHZFSPHMPIHRL-LYFYHCNISA-N 0 0 128.240 2.105 10 30 AEEERN S[C@H]1C[C@@H]2CCC[C@H]12 757159688 629717508 /nfs/dbraw/zinc/71/75/08/629717508.db2.gz UKDPZLZYCPJOOP-ACZMJKKPSA-N 0 0 128.240 2.105 10 30 AEEERN Nc1ccc2c(c1)CC[C@H]2S 757160167 629717606 /nfs/dbraw/zinc/71/76/06/629717606.db2.gz KSLHISPNRRYOKQ-SECBINFHSA-N 0 0 165.261 2.186 10 30 AEEERN C[C@@H](S)c1ccc(NC(N)=O)cc1 757159533 629717669 /nfs/dbraw/zinc/71/76/69/629717669.db2.gz NJPPXBXHOJOSOQ-ZCFIWIBFSA-N 0 0 196.275 2.168 10 30 AEEERN Cc1cc(C)c2c(c1)NC(=O)[C@H]2S 757160155 629717730 /nfs/dbraw/zinc/71/77/30/629717730.db2.gz KKIRMOQBCYKNQY-VIFPVBQESA-N 0 0 193.271 2.226 10 30 AEEERN Oc1c(F)cc(CS)cc1F 757159131 629717855 /nfs/dbraw/zinc/71/78/55/629717855.db2.gz GCIUOVSKNZJJLV-UHFFFAOYSA-N 0 0 176.187 2.100 10 30 AEEERN COc1cc([C@H](C)S)sn1 757159678 629718050 /nfs/dbraw/zinc/71/80/50/629718050.db2.gz GQVVJCOIARPRAU-BYPYZUCNSA-N 0 0 175.278 2.143 10 30 AEEERN S[C@@H]1CC[C@@H]2CC[C@H]21 757158788 629718059 /nfs/dbraw/zinc/71/80/59/629718059.db2.gz AKHZFSPHMPIHRL-RRKCRQDMSA-N 0 0 128.240 2.105 10 30 AEEERN S[C@@H]1CCC[C@@H]2CSC[C@H]21 757159863 629718074 /nfs/dbraw/zinc/71/80/74/629718074.db2.gz YXUILOVNPJYZMW-BWZBUEFSSA-N 0 0 174.334 2.448 10 30 AEEERN SCc1ccc(-n2cccn2)cc1 757159481 629718170 /nfs/dbraw/zinc/71/81/70/629718170.db2.gz LAMFFKANOMPBQS-UHFFFAOYSA-N 0 0 190.271 2.302 10 30 AEEERN CC1(C)[C@H](S)[C@@H]2CCCO[C@H]21 757159842 629718180 /nfs/dbraw/zinc/71/81/80/629718180.db2.gz IHZAKBLEIRHDLV-BWZBUEFSSA-N 0 0 172.293 2.120 10 30 AEEERN CC1(C)[C@H]2OCCC[C@@H]2[C@H]1S 757159840 629718607 /nfs/dbraw/zinc/71/86/07/629718607.db2.gz IHZAKBLEIRHDLV-BIIVOSGPSA-N 0 0 172.293 2.120 10 30 AEEERN CCO[C@@H]1C[C@H](S)C12CCC2 757159552 629718864 /nfs/dbraw/zinc/71/88/64/629718864.db2.gz OVTOUFJLEQZPCB-SFYZADRCSA-N 0 0 172.293 2.264 10 30 AEEERN Cc1nc2sccn2c1CS 757160162 629719215 /nfs/dbraw/zinc/71/92/15/629719215.db2.gz KKMGICXZOMHNBV-UHFFFAOYSA-N 0 0 184.289 2.134 10 30 AEEERN S[C@H]1CCC[C@@H]2C[C@H]12 757159546 629719505 /nfs/dbraw/zinc/71/95/05/629719505.db2.gz DGWTUVJUVZGFNL-VQVTYTSYSA-N 0 0 128.240 2.105 10 30 AEEERN SCc1scnc1Cl 757159361 629719994 /nfs/dbraw/zinc/71/99/94/629719994.db2.gz JTLWNNZLBUFQHC-UHFFFAOYSA-N 0 0 165.670 2.226 10 30 AEEERN COc1cc([C@@H](C)S)sn1 757159693 629719827 /nfs/dbraw/zinc/71/98/27/629719827.db2.gz GQVVJCOIARPRAU-SCSAIBSYSA-N 0 0 175.278 2.143 10 30 AEEERN CSC(C)(C)CCS 757159528 629719981 /nfs/dbraw/zinc/71/99/81/629719981.db2.gz CUJYSXDJDDOQQU-UHFFFAOYSA-N 0 0 150.312 2.448 10 30 AEEERN S[C@@H]1CC[C@H]2CC[C@@H]12 757158746 629720338 /nfs/dbraw/zinc/72/03/38/629720338.db2.gz AKHZFSPHMPIHRL-FSDSQADBSA-N 0 0 128.240 2.105 10 30 AEEERN O=C1Nc2cccc(Cl)c2[C@@H]1S 757159464 629720349 /nfs/dbraw/zinc/72/03/49/629720349.db2.gz BWUIANIOVYPLTJ-ZETCQYMHSA-N 0 0 199.662 2.263 10 30 AEEERN Nc1ccc2c(c1)CC[C@@H]2S 757160172 629720547 /nfs/dbraw/zinc/72/05/47/629720547.db2.gz KSLHISPNRRYOKQ-VIFPVBQESA-N 0 0 165.261 2.186 10 30 AEEERN N#Cc1ccc(CS)s1 757159445 629720676 /nfs/dbraw/zinc/72/06/76/629720676.db2.gz BIJXQXCXGIRPBX-UHFFFAOYSA-N 0 0 155.247 2.050 10 30 AEEERN CCO[C@H]1C[C@@H](S)C12CCC2 757159548 629720685 /nfs/dbraw/zinc/72/06/85/629720685.db2.gz OVTOUFJLEQZPCB-JGVFFNPUSA-N 0 0 172.293 2.264 10 30 AEEERN CC(C)(C)c1ncc(CS)cn1 757160085 629720747 /nfs/dbraw/zinc/72/07/47/629720747.db2.gz JCWGEPMLNAZANM-UHFFFAOYSA-N 0 0 182.292 2.204 10 30 AEEERN CC1(C)[C@H](S)[C@H]2CCCO[C@H]21 757159865 629720895 /nfs/dbraw/zinc/72/08/95/629720895.db2.gz IHZAKBLEIRHDLV-XLPZGREQSA-N 0 0 172.293 2.120 10 30 AEEERN COc1ccc(C)c(CS)c1 757159704 629720964 /nfs/dbraw/zinc/72/09/64/629720964.db2.gz GXVGXMXZMACCFC-UHFFFAOYSA-N 0 0 168.261 2.433 10 30 AEEERN CCOc1cccc(CS)c1O 757159130 629721062 /nfs/dbraw/zinc/72/10/62/629721062.db2.gz FDWMFDZXRFSISJ-UHFFFAOYSA-N 0 0 184.260 2.221 10 30 AEEERN Cc1cc(C)c2c(c1)NC(=O)[C@@H]2S 757160154 629720992 /nfs/dbraw/zinc/72/09/92/629720992.db2.gz KKIRMOQBCYKNQY-SECBINFHSA-N 0 0 193.271 2.226 10 30 AEEERN Cc1ccc(-c2n[nH]cc2CS)o1 757159599 629721098 /nfs/dbraw/zinc/72/10/98/629721098.db2.gz FSSUJVRNKCGXMY-UHFFFAOYSA-N 0 0 194.259 2.408 10 30 AEEERN CC(=O)Nc1ccsc1CS 757160175 629721297 /nfs/dbraw/zinc/72/12/97/629721297.db2.gz KXDFUYUJBMTEGQ-UHFFFAOYSA-N 0 0 187.289 2.136 10 30 AEEERN S[C@@H]1C[C@@H]2CCC[C@@H]21 757159689 629721420 /nfs/dbraw/zinc/72/14/20/629721420.db2.gz UKDPZLZYCPJOOP-LYFYHCNISA-N 0 0 128.240 2.105 10 30 AEEERN O=C1Nc2cccc(Cl)c2[C@H]1S 757159463 629721459 /nfs/dbraw/zinc/72/14/59/629721459.db2.gz BWUIANIOVYPLTJ-SSDOTTSWSA-N 0 0 199.662 2.263 10 30 AEEERN CC1(C)[C@H]2OCCC[C@H]2[C@H]1S 757159844 629721480 /nfs/dbraw/zinc/72/14/80/629721480.db2.gz IHZAKBLEIRHDLV-GJMOJQLCSA-N 0 0 172.293 2.120 10 30 AEEERN C=CC[C@H](C)OC(=O)C=C(C)C 860907611 629721779 /nfs/dbraw/zinc/72/17/79/629721779.db2.gz JFPURYVMRHLTNC-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@@H](C)OC(=O)C=C(C)C 860907608 629722006 /nfs/dbraw/zinc/72/20/06/629722006.db2.gz JFPURYVMRHLTNC-SECBINFHSA-N 0 0 168.236 2.460 10 30 AEEERN C=CC[C@@H](C)OC(=O)c1cccnc1 860907612 629722672 /nfs/dbraw/zinc/72/26/72/629722672.db2.gz JGPFOBPZURLKFG-SECBINFHSA-N 0 0 191.230 2.203 10 30 AEEERN C=CC[C@H](C)OC(=O)c1cccnc1 860907614 629725285 /nfs/dbraw/zinc/72/52/85/629725285.db2.gz JGPFOBPZURLKFG-VIFPVBQESA-N 0 0 191.230 2.203 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NOCCC 844087635 629728994 /nfs/dbraw/zinc/72/89/94/629728994.db2.gz ADYPBYROHRVDAS-VIFPVBQESA-N 0 0 185.267 2.047 10 30 AEEERN CCC(CC)Cn1cc(C#N)c(C)n1 757192622 629726970 /nfs/dbraw/zinc/72/69/70/629726970.db2.gz XQUSDNOATOJVKP-UHFFFAOYSA-N 0 0 191.278 2.499 10 30 AEEERN C[C@H](OC(=O)CCCC#N)C1CCC1 813072569 629729141 /nfs/dbraw/zinc/72/91/41/629729141.db2.gz MJERXZQMAYVVEY-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C=C(C)CNN=C1CCCCC1 306994595 629730204 /nfs/dbraw/zinc/73/02/04/629730204.db2.gz OBOBYRYCHXPYRA-UHFFFAOYSA-N 0 0 166.268 2.472 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NOCCC 844087634 629731026 /nfs/dbraw/zinc/73/10/26/629731026.db2.gz ADYPBYROHRVDAS-SECBINFHSA-N 0 0 185.267 2.047 10 30 AEEERN C=C(Cl)CN1CC[C@@H](C)[C@H](F)C1 307031006 629733696 /nfs/dbraw/zinc/73/36/96/629733696.db2.gz JZTPLXNCFJJZOM-VXNVDRBHSA-N 0 0 191.677 2.419 10 30 AEEERN CCOc1ccc(N(C)CC#N)cc1 49806615 629762435 /nfs/dbraw/zinc/76/24/35/629762435.db2.gz AEKANPCJNCLMPA-UHFFFAOYSA-N 0 0 190.246 2.045 10 30 AEEERN C#CCNc1cc(C)c(OC)cc1C 307500747 629771888 /nfs/dbraw/zinc/77/18/88/629771888.db2.gz UMGVURVGUSJVEN-UHFFFAOYSA-N 0 0 189.258 2.357 10 30 AEEERN C1CC(ON=C2CCSCC2)C1 307540729 629776341 /nfs/dbraw/zinc/77/63/41/629776341.db2.gz AGXPKAXQQDRJNT-UHFFFAOYSA-N 0 0 185.292 2.439 10 30 AEEERN C#CCN(C(=O)C[C@@H](C)CC)C1CC1 790887332 629777230 /nfs/dbraw/zinc/77/72/30/629777230.db2.gz AAAOBMDAWZJVDQ-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN C#CCN(C(=O)C[C@H](C)CC)C1CC1 790887441 629780878 /nfs/dbraw/zinc/78/08/78/629780878.db2.gz AAAOBMDAWZJVDQ-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C=C1CCN(C(=O)OC(C)C)CC1 307592255 629784952 /nfs/dbraw/zinc/78/49/52/629784952.db2.gz HUIUHAMJPMAPPY-UHFFFAOYSA-N 0 0 183.251 2.183 10 30 AEEERN C=C(CC)CN1CCCC(=O)[C@H]1C 932852027 629788760 /nfs/dbraw/zinc/78/87/60/629788760.db2.gz QFSRTQHQVIIUCB-SNVBAGLBSA-N 0 0 181.279 2.006 10 30 AEEERN C=C1CCC(C(=O)N[C@@H](C)CF)CC1 891156598 629789856 /nfs/dbraw/zinc/78/98/56/629789856.db2.gz NHTOGIXSQQHIOZ-VIFPVBQESA-N 0 0 199.269 2.207 10 30 AEEERN C=C[C@H](C)OC(=O)C(C)(Cl)Cl 307626971 629791108 /nfs/dbraw/zinc/79/11/08/629791108.db2.gz QZLRTHNGPDDXGI-YFKPBYRVSA-N 0 0 197.061 2.298 10 30 AEEERN C=C(CC)CN1CCCC(=O)[C@@H]1C 932852026 629791959 /nfs/dbraw/zinc/79/19/59/629791959.db2.gz QFSRTQHQVIIUCB-JTQLQIEISA-N 0 0 181.279 2.006 10 30 AEEERN CC1(C(=O)OCC#N)CCCCC1 307675353 629800302 /nfs/dbraw/zinc/80/03/02/629800302.db2.gz FQZYYWILAHEQGB-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN C=C(C)CCn1ccc(=O)cc1Cl 307758059 629811333 /nfs/dbraw/zinc/81/13/33/629811333.db2.gz NJZJKAOYVGXQRD-UHFFFAOYSA-N 0 0 197.665 2.468 10 30 AEEERN C#CCOC(=O)c1csc(C)c1C 307750110 629811795 /nfs/dbraw/zinc/81/17/95/629811795.db2.gz IVQAWRWKWTXXKC-UHFFFAOYSA-N 0 0 194.255 2.155 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C(\C)Cl 891266470 629812339 /nfs/dbraw/zinc/81/23/39/629812339.db2.gz CKTIDILPGNIHHL-VOTSOKGWSA-N 0 0 187.670 2.210 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C(/C)C1CC1 891272400 629812437 /nfs/dbraw/zinc/81/24/37/629812437.db2.gz GTZCWNBGZBHKOT-HJWRWDBZSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)/C(F)=C\CC 891267047 629812538 /nfs/dbraw/zinc/81/25/38/629812538.db2.gz LQCIFWYGSBTTDZ-BQYQJAHWSA-N 0 0 185.242 2.331 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C(\C)CC 891266345 629813280 /nfs/dbraw/zinc/81/32/80/629813280.db2.gz LPCIYJZBXCEKFV-CMDGGOBGSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)c1cc(C)co1 891261262 629813201 /nfs/dbraw/zinc/81/32/01/629813201.db2.gz CLWTUKCDZYLUQJ-UHFFFAOYSA-N 0 0 193.246 2.282 10 30 AEEERN C=CC(C)(C)NC(=O)C#CC(C)(C)C 891267028 629813341 /nfs/dbraw/zinc/81/33/41/629813341.db2.gz ZSTAJJAOQINCRL-UHFFFAOYSA-N 0 0 193.290 2.117 10 30 AEEERN C=CC(C)(C)NC(=O)CCCCC#N 891266393 629813371 /nfs/dbraw/zinc/81/33/71/629813371.db2.gz AODMGJBIKNHAOJ-UHFFFAOYSA-N 0 0 194.278 2.151 10 30 AEEERN C=CC(C)(C)NC(=O)C1(CCF)CC1 891266287 629813487 /nfs/dbraw/zinc/81/34/87/629813487.db2.gz JMKAQTJJLYIJOL-UHFFFAOYSA-N 0 0 199.269 2.207 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C(\C)C1CC1 891272399 629813554 /nfs/dbraw/zinc/81/35/54/629813554.db2.gz GTZCWNBGZBHKOT-CMDGGOBGSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C(/C)Cl 891266468 629813607 /nfs/dbraw/zinc/81/36/07/629813607.db2.gz CKTIDILPGNIHHL-SREVYHEPSA-N 0 0 187.670 2.210 10 30 AEEERN C=CC(C)(C)NC(=O)C(F)=C1CCC1 891266128 629813614 /nfs/dbraw/zinc/81/36/14/629813614.db2.gz GEICYJCEVCQYQI-UHFFFAOYSA-N 0 0 197.253 2.475 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H]1C[C@H]1CC 891266131 629813813 /nfs/dbraw/zinc/81/38/13/629813813.db2.gz GLZLGKMUXYNHLA-RKDXNWHRSA-N 0 0 181.279 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)c1c[nH]cc1C 891272465 629813834 /nfs/dbraw/zinc/81/38/34/629813834.db2.gz JGZNDOZRDUZCEI-UHFFFAOYSA-N 0 0 192.262 2.018 10 30 AEEERN C=CC(C)(C)NC(=O)/C=C(/C)CC 891266346 629813931 /nfs/dbraw/zinc/81/39/31/629813931.db2.gz LPCIYJZBXCEKFV-HJWRWDBZSA-N 0 0 181.279 2.424 10 30 AEEERN C=CC(C)(C)NC(=O)/C(F)=C/CC 891267048 629814238 /nfs/dbraw/zinc/81/42/38/629814238.db2.gz LQCIFWYGSBTTDZ-FPLPWBNLSA-N 0 0 185.242 2.331 10 30 AEEERN CCCCNN=C(C)CC 307776312 629816887 /nfs/dbraw/zinc/81/68/87/629816887.db2.gz HOLOOZKGSIOCPX-UHFFFAOYSA-N 0 0 142.246 2.162 10 30 AEEERN C=CC(C)(C)NC(=O)[C@@H](C)CC 891272528 629817200 /nfs/dbraw/zinc/81/72/00/629817200.db2.gz MTSKZUQNEAPKSJ-QMMMGPOBSA-N 0 0 169.268 2.113 10 30 AEEERN C=CC(C)(C)NC(=O)c1ccoc1C 891274448 629817219 /nfs/dbraw/zinc/81/72/19/629817219.db2.gz XXXSKFVWAUJDGA-UHFFFAOYSA-N 0 0 193.246 2.282 10 30 AEEERN C=CC(C)(C)NC(=O)[C@H](C)CC 891272527 629817418 /nfs/dbraw/zinc/81/74/18/629817418.db2.gz MTSKZUQNEAPKSJ-MRVPVSSYSA-N 0 0 169.268 2.113 10 30 AEEERN CCCC=NOCCSC 307770488 629817686 /nfs/dbraw/zinc/81/76/86/629817686.db2.gz BNHKZDXSGFIJPI-UHFFFAOYSA-N 0 0 161.270 2.152 10 30 AEEERN CCON=C1CCC[C@@H]1C 307775370 629817766 /nfs/dbraw/zinc/81/77/66/629817766.db2.gz GLUAFHPXCORYIU-ZETCQYMHSA-N 0 0 141.214 2.199 10 30 AEEERN CCON=C1CCC[C@H]1C 307775369 629817864 /nfs/dbraw/zinc/81/78/64/629817864.db2.gz GLUAFHPXCORYIU-SSDOTTSWSA-N 0 0 141.214 2.199 10 30 AEEERN C=CC(C)(C)NC(=O)c1ccsc1 891274358 629817878 /nfs/dbraw/zinc/81/78/78/629817878.db2.gz TUUYGXOSOGZUDY-UHFFFAOYSA-N 0 0 195.287 2.443 10 30 AEEERN C=CC(C)(C)NC(=O)c1ccc(C)o1 891273634 629817948 /nfs/dbraw/zinc/81/79/48/629817948.db2.gz CQIDEOFVLPULKP-UHFFFAOYSA-N 0 0 193.246 2.282 10 30 AEEERN C=C[C@@H](C)OC(=O)C(C)(C)C 36455784 629818744 /nfs/dbraw/zinc/81/87/44/629818744.db2.gz NXNOAABDUVVIHG-SSDOTTSWSA-N 0 0 156.225 2.150 10 30 AEEERN C=CCN=NC(CC)CCC 307851275 629819483 /nfs/dbraw/zinc/81/94/83/629819483.db2.gz AMUNSHFCSRIQTE-UHFFFAOYSA-N 0 0 154.257 2.328 10 30 AEEERN C=C[C@@H](CC)OC(=O)CCC 307853476 629819676 /nfs/dbraw/zinc/81/96/76/629819676.db2.gz CJENBQWGUNWSIW-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN C=CCCC(=O)OCC(=C)C 307853465 629819761 /nfs/dbraw/zinc/81/97/61/629819761.db2.gz CHPSROKDOPTXAW-UHFFFAOYSA-N 0 0 154.209 2.072 10 30 AEEERN C=C[C@H](CC)OC(=O)CCC 307853475 629820074 /nfs/dbraw/zinc/82/00/74/629820074.db2.gz CJENBQWGUNWSIW-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN CCCC(CC)=NNC1CC1 307919671 629822152 /nfs/dbraw/zinc/82/21/52/629822152.db2.gz HLTHKZAJTUQBFL-UHFFFAOYSA-N 0 0 154.257 2.305 10 30 AEEERN CON=C(C)CCC(F)(F)F 307901399 629822306 /nfs/dbraw/zinc/82/23/06/629822306.db2.gz NJYKEEKRSJLQGQ-UHFFFAOYSA-N 0 0 169.146 2.351 10 30 AEEERN CON=C1CCC[C@@H]1CCF 307917919 629822424 /nfs/dbraw/zinc/82/24/24/629822424.db2.gz CURFIWSEHFXRCW-SSDOTTSWSA-N 0 0 159.204 2.149 10 30 AEEERN CC1=CC(=O)[C@]2(C(C)C)C[C@H]12 1589730 520852672 /nfs/dbraw/zinc/85/26/72/520852672.db2.gz LTTVJAQLCIHAFV-SCZZXKLOSA-N 0 0 150.221 2.178 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccsc1 307955414 629825472 /nfs/dbraw/zinc/82/54/72/629825472.db2.gz QZODMABONMDHHD-ZETCQYMHSA-N 0 0 182.244 2.479 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccsc1 307955413 629825546 /nfs/dbraw/zinc/82/55/46/629825546.db2.gz QZODMABONMDHHD-SSDOTTSWSA-N 0 0 182.244 2.479 10 30 AEEERN C=C[C@@H](C)OC(=O)CCC1CC1 307964655 629826574 /nfs/dbraw/zinc/82/65/74/629826574.db2.gz ZXHZUQCJDMJYQO-MRVPVSSYSA-N 0 0 168.236 2.294 10 30 AEEERN C=C[C@@H](CC)OC(=O)C=C(C)C 307976493 629827259 /nfs/dbraw/zinc/82/72/59/629827259.db2.gz LLPDSESRRPTOJM-VIFPVBQESA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)CCC1CC1 307964656 629827263 /nfs/dbraw/zinc/82/72/63/629827263.db2.gz ZXHZUQCJDMJYQO-QMMMGPOBSA-N 0 0 168.236 2.294 10 30 AEEERN C#CCSc1ncccc1C 306294090 629827408 /nfs/dbraw/zinc/82/74/08/629827408.db2.gz AEWKESHSMSGVOB-UHFFFAOYSA-N 0 0 163.245 2.115 10 30 AEEERN C=C(CC)CNc1nccc(C)n1 306363979 629827455 /nfs/dbraw/zinc/82/74/55/629827455.db2.gz ASQNAQMJGLODBO-UHFFFAOYSA-N 0 0 177.251 2.163 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccoc1 307964653 629827626 /nfs/dbraw/zinc/82/76/26/629827626.db2.gz ZXAQCGFSNXVTGN-ZETCQYMHSA-N 0 0 166.176 2.011 10 30 AEEERN C=CCOC(=O)[C@H]1CCC[C@@H]1C 308048017 629831951 /nfs/dbraw/zinc/83/19/51/629831951.db2.gz QLBAAVKXVIHKBI-IUCAKERBSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC[C@@H]1C 308048016 629832345 /nfs/dbraw/zinc/83/23/45/629832345.db2.gz QLBAAVKXVIHKBI-DTWKUNHWSA-N 0 0 168.236 2.152 10 30 AEEERN C=CCOC(=O)[C@H]1CCC[C@H]1C 308048015 629832460 /nfs/dbraw/zinc/83/24/60/629832460.db2.gz QLBAAVKXVIHKBI-BDAKNGLRSA-N 0 0 168.236 2.152 10 30 AEEERN CC1=CC(=NNCC(C)C)CC1 308097639 629832772 /nfs/dbraw/zinc/83/27/72/629832772.db2.gz DXOQBHJVOASJJE-UHFFFAOYSA-N 0 0 166.268 2.328 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC[C@H]1C 308048018 629834109 /nfs/dbraw/zinc/83/41/09/629834109.db2.gz QLBAAVKXVIHKBI-RKDXNWHRSA-N 0 0 168.236 2.152 10 30 AEEERN CC(C)CCC(=O)OC[C@@H](C)C#N 308130312 629835010 /nfs/dbraw/zinc/83/50/10/629835010.db2.gz ALQIFSQMTDTMLL-VIFPVBQESA-N 0 0 183.251 2.125 10 30 AEEERN CC(C)(C)COC(=O)CCCC#N 308130271 629835114 /nfs/dbraw/zinc/83/51/14/629835114.db2.gz AJLDLOSXVHBJBU-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN CC(=NOCC(C)C)[C@@H]1CCCO1 308130746 629835119 /nfs/dbraw/zinc/83/51/19/629835119.db2.gz ARWKRJBHDYZKMQ-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN CC1=CCCN(c2ccc(C#N)nc2)C1 230812075 520861083 /nfs/dbraw/zinc/86/10/83/520861083.db2.gz DGEPDTZQEDFVBD-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN CC1=CCCN(c2cnccc2C#N)C1 230812192 520861159 /nfs/dbraw/zinc/86/11/59/520861159.db2.gz AQDWAGBHEHAOKL-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN C=CCCC(=O)N(CC=C)C(C)C 308133095 629835544 /nfs/dbraw/zinc/83/55/44/629835544.db2.gz CIPBZGDLQNRKAJ-UHFFFAOYSA-N 0 0 181.279 2.376 10 30 AEEERN CC(C)CCC(=O)OC[C@H](C)C#N 308130311 629835590 /nfs/dbraw/zinc/83/55/90/629835590.db2.gz ALQIFSQMTDTMLL-SECBINFHSA-N 0 0 183.251 2.125 10 30 AEEERN CC1=CCCN(c2cccc(C#N)n2)C1 230812136 520861542 /nfs/dbraw/zinc/86/15/42/520861542.db2.gz FQNWTPGYFSDGDX-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN CC(C)CON=CC1CCOCC1 308137749 629836048 /nfs/dbraw/zinc/83/60/48/629836048.db2.gz GMDWYULGHAPHFG-UHFFFAOYSA-N 0 0 185.267 2.071 10 30 AEEERN CC(=NOCC(C)C)[C@H]1CCCO1 308130747 629836427 /nfs/dbraw/zinc/83/64/27/629836427.db2.gz ARWKRJBHDYZKMQ-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN CC(=NOC1CCOCC1)C(C)C 308138276 629836644 /nfs/dbraw/zinc/83/66/44/629836644.db2.gz GNVALPNDTTUSJR-UHFFFAOYSA-N 0 0 185.267 2.214 10 30 AEEERN C=CCOC(=O)/C=C(\C)C1CC1 308103902 629838950 /nfs/dbraw/zinc/83/89/50/629838950.db2.gz GZQULNZLNGRVRC-BQYQJAHWSA-N 0 0 166.220 2.072 10 30 AEEERN C=CCN(Cc1cocn1)C(C)C 308157737 629839240 /nfs/dbraw/zinc/83/92/40/629839240.db2.gz SMHRIDKXERLYNK-UHFFFAOYSA-N 0 0 180.251 2.071 10 30 AEEERN C#CCON=C(C)c1ccccc1 254745869 629839343 /nfs/dbraw/zinc/83/93/43/629839343.db2.gz BEBHXERKIZQLDB-UHFFFAOYSA-N 0 0 173.215 2.060 10 30 AEEERN C#CCN(CC)C/C(Cl)=C/Cl 307756143 629839464 /nfs/dbraw/zinc/83/94/64/629839464.db2.gz GWYOUVSSMZAJAR-VURMDHGXSA-N 0 0 192.089 2.261 10 30 AEEERN C=CCOC(=O)/C=C(/C)C1CC1 308103912 629839814 /nfs/dbraw/zinc/83/98/14/629839814.db2.gz GZQULNZLNGRVRC-FPLPWBNLSA-N 0 0 166.220 2.072 10 30 AEEERN CC(C)CC(=O)OC1(C#N)CCC1 308157958 629839953 /nfs/dbraw/zinc/83/99/53/629839953.db2.gz SNHSWQYKRPBEEN-UHFFFAOYSA-N 0 0 181.235 2.022 10 30 AEEERN C#Cc1ccnn1CCSC(C)C 308156697 629840293 /nfs/dbraw/zinc/84/02/93/629840293.db2.gz RTBMRVPRZLBXOR-UHFFFAOYSA-N 0 0 194.303 2.006 10 30 AEEERN C=CCN(C(=O)OCCC)C1CC1 308124971 629840302 /nfs/dbraw/zinc/84/03/02/629840302.db2.gz AFGMPPCKXJYJOD-UHFFFAOYSA-N 0 0 183.251 2.183 10 30 AEEERN C=CCCC(=O)OCC(C)(C)C#N 308148544 629840575 /nfs/dbraw/zinc/84/05/75/629840575.db2.gz NBKVFJAMINYRJC-UHFFFAOYSA-N 0 0 181.235 2.046 10 30 AEEERN C[C@@H](CC#N)OC(=O)C1CCCC1 308168512 629841952 /nfs/dbraw/zinc/84/19/52/629841952.db2.gz YLOACCDJVBFKOJ-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN C=CCCCN(CC)C(=O)NC(C)C 891402285 629841992 /nfs/dbraw/zinc/84/19/92/629841992.db2.gz SPANITMCEFZSGX-UHFFFAOYSA-N 0 0 198.310 2.393 10 30 AEEERN C=CCCOC(=O)C1(CCF)CC1 308183188 629843520 /nfs/dbraw/zinc/84/35/20/629843520.db2.gz HPFCIUKWGGHZSY-UHFFFAOYSA-N 0 0 186.226 2.246 10 30 AEEERN COCCON=C(C)CCC1CC1 308249802 629849740 /nfs/dbraw/zinc/84/97/40/629849740.db2.gz AUNOPBVMFWUJCO-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN CCCC(=O)OCC(C)(C)CC#N 308237975 629846625 /nfs/dbraw/zinc/84/66/25/629846625.db2.gz RLKWIRGXRUZODA-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C=C(C)COC(=O)C1(CCF)CC1 308270665 629847160 /nfs/dbraw/zinc/84/71/60/629847160.db2.gz RWELBWHZLDTOBT-UHFFFAOYSA-N 0 0 186.226 2.246 10 30 AEEERN C#CCCCCC(=O)O[C@@H](C)C=C 308223066 629847423 /nfs/dbraw/zinc/84/74/23/629847423.db2.gz CYTJYZIRJLRGJX-JTQLQIEISA-N 0 0 180.247 2.298 10 30 AEEERN CCC[C@H](C)C=NOCCCOC 308231471 629847794 /nfs/dbraw/zinc/84/77/94/629847794.db2.gz OWZPQOCLAXEAJP-JTQLQIEISA-N 0 0 187.283 2.462 10 30 AEEERN CCCC(=O)OCC#CC(C)(C)C 308237478 629847833 /nfs/dbraw/zinc/84/78/33/629847833.db2.gz RISMDLPUEOKTQN-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C#CCOC(=O)CC(C)(C)CCC 308238001 629847906 /nfs/dbraw/zinc/84/79/06/629847906.db2.gz RMXLTICOVLEEBG-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN CCC(CC)NN=Cc1ccoc1 308221903 629848029 /nfs/dbraw/zinc/84/80/29/629848029.db2.gz LPQWHHPOVVEDSF-UHFFFAOYSA-N 0 0 180.251 2.392 10 30 AEEERN CCC[C@@H](C)C=NOCCCOC 308231472 629848340 /nfs/dbraw/zinc/84/83/40/629848340.db2.gz OWZPQOCLAXEAJP-SNVBAGLBSA-N 0 0 187.283 2.462 10 30 AEEERN C#C[C@H](CC)OC(=O)C(C)(C)CC 308225990 629848368 /nfs/dbraw/zinc/84/83/68/629848368.db2.gz MZMVYDVRRSXPHP-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN C1COCCC(=NOC2CCC2)C1 308218887 629848535 /nfs/dbraw/zinc/84/85/35/629848535.db2.gz BKQLMLYMIXCEMK-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN CON=C[C@H]1CCc2ccccc21 308249843 629849393 /nfs/dbraw/zinc/84/93/93/629849393.db2.gz AWLCCPGAOFJTKY-SNVBAGLBSA-N 0 0 175.231 2.349 10 30 AEEERN C#C[C@H](CC)OC(=O)C[C@@H](C)CC 308287178 629849419 /nfs/dbraw/zinc/84/94/19/629849419.db2.gz FAVLPTJOUHZGCL-VHSXEESVSA-N 0 0 182.263 2.378 10 30 AEEERN C=C[C@H](C)OC(=O)C1(F)CCCC1 308251791 629849491 /nfs/dbraw/zinc/84/94/91/629849491.db2.gz HTXWPROBVMUNBX-QMMMGPOBSA-N 0 0 186.226 2.386 10 30 AEEERN C=CCCCC(=O)N1CC(C)(C)C1 308252437 629849847 /nfs/dbraw/zinc/84/98/47/629849847.db2.gz BZERCZIZTMKESZ-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN CC[C@H](C)C(=O)O[C@H](CC)CC#N 308248861 629849910 /nfs/dbraw/zinc/84/99/10/629849910.db2.gz AHAQHFJONWGLHX-DTWKUNHWSA-N 0 0 183.251 2.268 10 30 AEEERN C#CCCCCCOC(=O)C(C)C 308326681 629849975 /nfs/dbraw/zinc/84/99/75/629849975.db2.gz GVFQNWYCLVBHCR-UHFFFAOYSA-N 0 0 182.263 2.379 10 30 AEEERN C1CC(=NOCC[C@H]2CCCO2)C1 308325781 629850080 /nfs/dbraw/zinc/85/00/80/629850080.db2.gz FTESPHMNNYCCQK-SNVBAGLBSA-N 0 0 183.251 2.112 10 30 AEEERN COCCON=C[C@H](C)CC(C)C 308325879 629850131 /nfs/dbraw/zinc/85/01/31/629850131.db2.gz FILWKTSQZCJFGX-SNVBAGLBSA-N 0 0 187.283 2.317 10 30 AEEERN C=C[C@@H](C)OC(=O)C1(F)CCCC1 308251790 629850220 /nfs/dbraw/zinc/85/02/20/629850220.db2.gz HTXWPROBVMUNBX-MRVPVSSYSA-N 0 0 186.226 2.386 10 30 AEEERN C=CCCCN(C)C(=O)C(C)(C)F 308240837 629850320 /nfs/dbraw/zinc/85/03/20/629850320.db2.gz YGRWHCYCUWCPBV-UHFFFAOYSA-N 0 0 187.258 2.159 10 30 AEEERN C#CCCCOC(=O)C(C)=C(C)C 308327359 629850660 /nfs/dbraw/zinc/85/06/60/629850660.db2.gz HJVHYSLXUVMGRB-UHFFFAOYSA-N 0 0 180.247 2.299 10 30 AEEERN C1CC(=NOCC[C@@H]2CCCO2)C1 308325780 629850703 /nfs/dbraw/zinc/85/07/03/629850703.db2.gz FTESPHMNNYCCQK-JTQLQIEISA-N 0 0 183.251 2.112 10 30 AEEERN COCCON=C[C@@H](C)CC(C)C 308325878 629850769 /nfs/dbraw/zinc/85/07/69/629850769.db2.gz FILWKTSQZCJFGX-JTQLQIEISA-N 0 0 187.283 2.317 10 30 AEEERN CC1=CCN(c2cccnc2C#N)CC1 167728193 520874766 /nfs/dbraw/zinc/87/47/66/520874766.db2.gz FKTBJZHBFBEBPF-UHFFFAOYSA-N 0 0 199.257 2.110 10 30 AEEERN CCC(C)(C)C(=O)OC[C@H](C)C#N 308311063 629854823 /nfs/dbraw/zinc/85/48/23/629854823.db2.gz RLHLSVSVLLPJAA-MRVPVSSYSA-N 0 0 183.251 2.125 10 30 AEEERN C#C[C@@H](C)OC(=O)C(C)(CC)CC 308302903 629855405 /nfs/dbraw/zinc/85/54/05/629855405.db2.gz MUXIHJGLQHOORD-SECBINFHSA-N 0 0 182.263 2.378 10 30 AEEERN C#C[C@H](C)OC(=O)C(C)(CC)CC 308302904 629855759 /nfs/dbraw/zinc/85/57/59/629855759.db2.gz MUXIHJGLQHOORD-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN C/C=C(/C)C(=O)O[C@H](C#N)C(C)C 308303824 629856759 /nfs/dbraw/zinc/85/67/59/629856759.db2.gz NGYZNRNSXFQQFQ-BZJXQOFCSA-N 0 0 181.235 2.044 10 30 AEEERN C=CCCN(C)C(=O)[C@@H]1CC1(C)C 308326786 629858989 /nfs/dbraw/zinc/85/89/89/629858989.db2.gz FYBTWSZMEHCDMA-VIFPVBQESA-N 0 0 181.279 2.067 10 30 AEEERN C=C(C)COC(=O)C[C@H]1C=CCC1 308326699 629859157 /nfs/dbraw/zinc/85/91/57/629859157.db2.gz GXFXKFBAHZWPIH-JTQLQIEISA-N 0 0 180.247 2.462 10 30 AEEERN C=C(C)COC(=O)C[C@@H]1C=CCC1 308326700 629859168 /nfs/dbraw/zinc/85/91/68/629859168.db2.gz GXFXKFBAHZWPIH-SNVBAGLBSA-N 0 0 180.247 2.462 10 30 AEEERN C=C/C(C)=C\CC(=O)NCC(=C)Cl 308351061 629859864 /nfs/dbraw/zinc/85/98/64/629859864.db2.gz YIXAVKACZWTWPQ-YVMONPNESA-N 0 0 199.681 2.378 10 30 AEEERN C=C(C)CCSCc1cnn(C)n1 308351043 629860310 /nfs/dbraw/zinc/86/03/10/629860310.db2.gz YIAPSBVNUHAWRB-UHFFFAOYSA-N 0 0 197.307 2.015 10 30 AEEERN C=C/C(C)=C/CC(=O)NCC(=C)Cl 308351060 629860466 /nfs/dbraw/zinc/86/04/66/629860466.db2.gz YIXAVKACZWTWPQ-VMPITWQZSA-N 0 0 199.681 2.378 10 30 AEEERN C#C[C@H](CC)OC(=O)c1cccs1 308357942 629860703 /nfs/dbraw/zinc/86/07/03/629860703.db2.gz LFBGYBMTZVDYME-MRVPVSSYSA-N 0 0 194.255 2.317 10 30 AEEERN C#C[C@H](CC)OC(=O)C=C1CCC1 308395544 629861771 /nfs/dbraw/zinc/86/17/71/629861771.db2.gz CWXHZSGYHZKBJN-SNVBAGLBSA-N 0 0 178.231 2.052 10 30 AEEERN C#C[C@@H](CC)OC(=O)C=C1CCC1 308395543 629861801 /nfs/dbraw/zinc/86/18/01/629861801.db2.gz CWXHZSGYHZKBJN-JTQLQIEISA-N 0 0 178.231 2.052 10 30 AEEERN COCCCON=CC1(C)CCC1 308383492 629861887 /nfs/dbraw/zinc/86/18/87/629861887.db2.gz VSQQCHBLQFEPIC-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN C=CC[C@@H]1CCN1Cc1nocc1C 934462034 629883684 /nfs/dbraw/zinc/88/36/84/629883684.db2.gz PVTFLPUHJJNWNN-SNVBAGLBSA-N 0 0 192.262 2.133 10 30 AEEERN C=CC[C@H]1CCN1Cc1ncc(C)o1 934461249 629884579 /nfs/dbraw/zinc/88/45/79/629884579.db2.gz WUZNIWJPBBNQDH-JTQLQIEISA-N 0 0 192.262 2.133 10 30 AEEERN C=CC[C@H]1CCN1Cc1nocc1C 934462032 629885298 /nfs/dbraw/zinc/88/52/98/629885298.db2.gz PVTFLPUHJJNWNN-JTQLQIEISA-N 0 0 192.262 2.133 10 30 AEEERN C=CC[C@@H]1CCN1Cc1ncc(C)o1 934461252 629885718 /nfs/dbraw/zinc/88/57/18/629885718.db2.gz WUZNIWJPBBNQDH-SNVBAGLBSA-N 0 0 192.262 2.133 10 30 AEEERN C=C[C@@H](C)NC(=O)C[C@@H]1CC=CCC1 934525704 629887633 /nfs/dbraw/zinc/88/76/33/629887633.db2.gz BTIKGDKUMYXALA-GHMZBOCLSA-N 0 0 193.290 2.424 10 30 AEEERN C=C[C@H](C)NC(=O)C[C@@H]1CC=CCC1 934525707 629888123 /nfs/dbraw/zinc/88/81/23/629888123.db2.gz BTIKGDKUMYXALA-WDEREUQCSA-N 0 0 193.290 2.424 10 30 AEEERN C=C[C@H](C)NC(=O)[C@@]1(C)C=CCC1 934527455 629888166 /nfs/dbraw/zinc/88/81/66/629888166.db2.gz USEBTKYHMURHGX-ONGXEEELSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 934527452 629888333 /nfs/dbraw/zinc/88/83/33/629888333.db2.gz USEBTKYHMURHGX-KOLCDFICSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@H](C)NC(=O)[C@]1(C)C=CCC1 934527450 629888768 /nfs/dbraw/zinc/88/87/68/629888768.db2.gz USEBTKYHMURHGX-GXSJLCMTSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@@H](C)NC(=O)C[C@H]1CC=CCC1 934525705 629888824 /nfs/dbraw/zinc/88/88/24/629888824.db2.gz BTIKGDKUMYXALA-MNOVXSKESA-N 0 0 193.290 2.424 10 30 AEEERN C=C[C@@H](C)NC(=O)[C@]1(C)C=CCC1 934527453 629888935 /nfs/dbraw/zinc/88/89/35/629888935.db2.gz USEBTKYHMURHGX-MWLCHTKSSA-N 0 0 179.263 2.033 10 30 AEEERN C=C[C@H](C)NC(=O)C[C@H]1CC=CCC1 934525706 629889118 /nfs/dbraw/zinc/88/91/18/629889118.db2.gz BTIKGDKUMYXALA-QWRGUYRKSA-N 0 0 193.290 2.424 10 30 AEEERN C=CCOCCCC(=O)OC/C=C\C 744053362 629896963 /nfs/dbraw/zinc/89/69/63/629896963.db2.gz ABPGNHIKRWGMGT-HYXAFXHYSA-N 0 0 198.262 2.089 10 30 AEEERN C=CCOCCCC(=O)OC/C=C/C 744053361 629897250 /nfs/dbraw/zinc/89/72/50/629897250.db2.gz ABPGNHIKRWGMGT-HWKANZROSA-N 0 0 198.262 2.089 10 30 AEEERN C=C(C)CN(C)C(=O)C1(C)CC=CC1 935273411 629908284 /nfs/dbraw/zinc/90/82/84/629908284.db2.gz JPWCSRAYXRZEJV-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN CC(C)C1(CS)CC1 221548733 629909369 /nfs/dbraw/zinc/90/93/69/629909369.db2.gz YZGZKXXRDHNDNW-UHFFFAOYSA-N 0 0 130.256 2.352 10 30 AEEERN Cc1ncsc1[C@@H](C)S 78314516 629909575 /nfs/dbraw/zinc/90/95/75/629909575.db2.gz WATBSASFJDJBCU-RXMQYKEDSA-N 0 0 159.279 2.442 10 30 AEEERN C=C(C)CNN=Cc1ccoc1C 841638322 629909887 /nfs/dbraw/zinc/90/98/87/629909887.db2.gz BMXVBJQZVSCWPE-UHFFFAOYSA-N 0 0 178.235 2.088 10 30 AEEERN CC(C)CO[P@@](C)(=O)CCC#N 3105928 629910956 /nfs/dbraw/zinc/91/09/56/629910956.db2.gz WWRMHQGXOHJHFJ-GFCCVEGCSA-N 0 0 189.195 2.481 10 30 AEEERN C=CCOC(=O)C[C@@H](C)C(F)(F)F 197036443 629911130 /nfs/dbraw/zinc/91/11/30/629911130.db2.gz ZAAYQTJFGHMWCH-ZCFIWIBFSA-N 0 0 196.168 2.304 10 30 AEEERN CC(C)CN[C@H](CC#N)C(F)(F)F 261040764 629920723 /nfs/dbraw/zinc/92/07/23/629920723.db2.gz CTQOOGYMHQHRGV-SSDOTTSWSA-N 0 0 194.200 2.077 10 30 AEEERN CC(C)CN[C@@H](CC#N)C(F)(F)F 261040765 629922769 /nfs/dbraw/zinc/92/27/69/629922769.db2.gz CTQOOGYMHQHRGV-ZETCQYMHSA-N 0 0 194.200 2.077 10 30 AEEERN CC(=O)Nc1ccc(CS)cc1 150088138 629922786 /nfs/dbraw/zinc/92/27/86/629922786.db2.gz NJWDQVAOORNJOY-UHFFFAOYSA-N 0 0 181.260 2.075 10 30 AEEERN C#CCCOc1ccc(C=O)c(C)c1 235754708 629936660 /nfs/dbraw/zinc/93/66/60/629936660.db2.gz MBVMWYPNNZJTOA-UHFFFAOYSA-N 0 0 188.226 2.210 10 30 AEEERN C=CCCCN(C)Cc1cocn1 393717618 629947687 /nfs/dbraw/zinc/94/76/87/629947687.db2.gz YRUCCMJIARHXOB-UHFFFAOYSA-N 0 0 180.251 2.073 10 30 AEEERN C=CCON=C(C)[C@H]1CC1(F)F 841641942 629948124 /nfs/dbraw/zinc/94/81/24/629948124.db2.gz ZGOZAYDROHGXBI-SSDOTTSWSA-N 0 0 175.178 2.220 10 30 AEEERN C=CCON=C(C)[C@@H]1CC1(F)F 841641950 629949365 /nfs/dbraw/zinc/94/93/65/629949365.db2.gz ZGOZAYDROHGXBI-ZETCQYMHSA-N 0 0 175.178 2.220 10 30 AEEERN C=CCN(C)C(=O)C1(CC)CCC1 393719374 629949727 /nfs/dbraw/zinc/94/97/27/629949727.db2.gz BRCCEPZYRDWDMM-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C=C(Cl)CN[C@H]1CCC[C@@H]1C#N 162478437 629959011 /nfs/dbraw/zinc/95/90/11/629959011.db2.gz VENSSBFNYRTGKG-BDAKNGLRSA-N 0 0 184.670 2.021 10 30 AEEERN C=C[C@H](C)OC(=O)/C(=C/C)CC 307944764 629966595 /nfs/dbraw/zinc/96/65/95/629966595.db2.gz HJCPEXZQFVDGJJ-CYXIBPNKSA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@H](C)OC(=O)C1=CCCC1 307946378 629966628 /nfs/dbraw/zinc/96/66/28/629966628.db2.gz JQXCKBHIMKDFOQ-QMMMGPOBSA-N 0 0 166.220 2.214 10 30 AEEERN FC1(C=NOC2CCC2)CC1 307902399 629968076 /nfs/dbraw/zinc/96/80/76/629968076.db2.gz OJGOWKUGDOADOM-UHFFFAOYSA-N 0 0 157.188 2.043 10 30 AEEERN C=CCOC(=O)C1CC(C)(C)C1 307939607 629970951 /nfs/dbraw/zinc/97/09/51/629970951.db2.gz BAJSTJZIEFZYRW-UHFFFAOYSA-N 0 0 168.236 2.152 10 30 AEEERN C=C(C)CCOC(=O)CC1CC1 307929253 629972135 /nfs/dbraw/zinc/97/21/35/629972135.db2.gz BFOLQXVXWQELCZ-UHFFFAOYSA-N 0 0 168.236 2.296 10 30 AEEERN C=C(C)[C@@H](C)OC(=O)/C(C)=C\C 307957993 629973303 /nfs/dbraw/zinc/97/33/03/629973303.db2.gz STMXZVLQXQHTFX-JGAIRUGNSA-N 0 0 168.236 2.460 10 30 AEEERN Cc1cc(CS)cc(C)c1O 168785459 629979207 /nfs/dbraw/zinc/97/92/07/629979207.db2.gz GYFWKEIAJQYDKE-UHFFFAOYSA-N 0 0 168.261 2.439 10 30 AEEERN C=C[C@H](CC)OC(=O)[C@H](C)SC 308009704 629980277 /nfs/dbraw/zinc/98/02/77/629980277.db2.gz LJKIBMQLPNDSAP-JGVFFNPUSA-N 0 0 188.292 2.246 10 30 AEEERN C=C[C@@H](CC)OC(=O)[C@@H](C)SC 308009707 629982123 /nfs/dbraw/zinc/98/21/23/629982123.db2.gz LJKIBMQLPNDSAP-SFYZADRCSA-N 0 0 188.292 2.246 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@H]1C(C)C 308115237 629984980 /nfs/dbraw/zinc/98/49/80/629984980.db2.gz MDLWVFGEBDRRDT-DTWKUNHWSA-N 0 0 168.236 2.008 10 30 AEEERN C#C[C@H](C)OC(=O)[C@H](C)CC(C)C 308131769 629985867 /nfs/dbraw/zinc/98/58/67/629985867.db2.gz BIOGTVPIKGFTOQ-ZJUUUORDSA-N 0 0 182.263 2.234 10 30 AEEERN C#CCOC(=O)C[C@@H](CC)C(C)C 308152726 629991346 /nfs/dbraw/zinc/99/13/46/629991346.db2.gz ADCXKWUWUPVGFV-SNVBAGLBSA-N 0 0 182.263 2.235 10 30 AEEERN CC(CC1CC1)=NN[C@@H](C)CC#N 308158961 629992929 /nfs/dbraw/zinc/99/29/29/629992929.db2.gz UAEUVSALNIMWQI-QMMMGPOBSA-N 0 0 179.267 2.054 10 30 AEEERN Cl/C=C/CON=Cc1ccncc1 308180722 629997544 /nfs/dbraw/zinc/99/75/44/629997544.db2.gz GCXAHUGYCMJVMR-HELOBUGZSA-N 0 0 196.637 2.185 10 30 AEEERN C#C[C@@H](C)OC(=O)CC(C)(C)C=C 892725882 629997804 /nfs/dbraw/zinc/99/78/04/629997804.db2.gz FXNCLQKWJPDADL-SECBINFHSA-N 0 0 180.247 2.154 10 30 AEEERN CCC/C=N\[S@@](=O)C(C)(C)C 102245437 521659132 /nfs/dbraw/zinc/65/91/32/521659132.db2.gz ZBFJREMTWBYHFO-GXMKHXEJSA-N 0 0 175.297 2.320 10 30 AEEERN CCN1CCCc2ccc(C#N)cc21 71451649 521659630 /nfs/dbraw/zinc/65/96/30/521659630.db2.gz MLLKKULNRDSCSW-UHFFFAOYSA-N 0 0 186.258 2.331 10 30 AEEERN COc1cc(C)c(C=NO)c(C)c1 252625292 522187689 /nfs/dbraw/zinc/18/76/89/522187689.db2.gz QGSZGDITBMWRTL-UHFFFAOYSA-N 0 0 179.219 2.120 10 30 AEEERN COc1cc(Cl)ccc1OCC#N 259967047 522560014 /nfs/dbraw/zinc/56/00/14/522560014.db2.gz CYMMYNNGSJHNPW-UHFFFAOYSA-N 0 0 197.621 2.251 10 30 AEEERN CN1C=C[C@H](C#N)c2ccccc21 105588414 523739384 /nfs/dbraw/zinc/73/93/84/523739384.db2.gz AXAYIMHFQYYXMW-SECBINFHSA-N 0 0 170.215 2.257 10 30 AEEERN CN1C=C[C@@H](C#N)c2ccccc21 105588416 523739652 /nfs/dbraw/zinc/73/96/52/523739652.db2.gz AXAYIMHFQYYXMW-VIFPVBQESA-N 0 0 170.215 2.257 10 30 AEEERN C[C@H](C#N)OC(=O)/C=C/C(C)(C)C 308218317 630000217 /nfs/dbraw/zinc/00/02/17/630000217.db2.gz AZGCYZGKRYNIIY-HQZHTGGTSA-N 0 0 181.235 2.044 10 30 AEEERN C#C[C@H](C)OC(=O)CC(C)(C)C=C 892725883 630000501 /nfs/dbraw/zinc/00/05/01/630000501.db2.gz FXNCLQKWJPDADL-VIFPVBQESA-N 0 0 180.247 2.154 10 30 AEEERN C#C[C@@H](CC)OC(=O)C(C)(C)CC 308225991 630002055 /nfs/dbraw/zinc/00/20/55/630002055.db2.gz MZMVYDVRRSXPHP-VIFPVBQESA-N 0 0 182.263 2.378 10 30 AEEERN CCC/C=C\C(=O)OC[C@H](C)C#N 308210692 630002258 /nfs/dbraw/zinc/00/22/58/630002258.db2.gz GFMMHLOEVYVICK-SSJHQANKSA-N 0 0 181.235 2.046 10 30 AEEERN C#C[C@H](CC)OC(=O)/C=C\CCC 308214141 630002314 /nfs/dbraw/zinc/00/23/14/630002314.db2.gz ICRFQGCJEYTDTD-HSTULFTRSA-N 0 0 180.247 2.298 10 30 AEEERN CCC/C=C/C(=O)OC[C@@H](C)C#N 308210691 630002863 /nfs/dbraw/zinc/00/28/63/630002863.db2.gz GFMMHLOEVYVICK-CYNONHLPSA-N 0 0 181.235 2.046 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C\CCC 308214142 630002983 /nfs/dbraw/zinc/00/29/83/630002983.db2.gz ICRFQGCJEYTDTD-QROTZFDESA-N 0 0 180.247 2.298 10 30 AEEERN C#C[C@@H](CC)OC(=O)/C=C/CCC 308214140 630003574 /nfs/dbraw/zinc/00/35/74/630003574.db2.gz ICRFQGCJEYTDTD-DDXVTDLHSA-N 0 0 180.247 2.298 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccc(C)o1 308225450 630003829 /nfs/dbraw/zinc/00/38/29/630003829.db2.gz DOJHXDDYEXXMFA-SSDOTTSWSA-N 0 0 180.203 2.319 10 30 AEEERN C[C@H](OC(=O)CCCC#N)C1CC1 308258392 630004979 /nfs/dbraw/zinc/00/49/79/630004979.db2.gz MESSWOADHQKMBS-QMMMGPOBSA-N 0 0 181.235 2.022 10 30 AEEERN CC[C@@H](C)CC(=O)O[C@@H](C#N)CC 308249602 630005186 /nfs/dbraw/zinc/00/51/86/630005186.db2.gz ALMZUHMVFOUDBQ-RKDXNWHRSA-N 0 0 183.251 2.268 10 30 AEEERN CCCC(=O)OC1(CC#N)CCC1 308245859 630005535 /nfs/dbraw/zinc/00/55/35/630005535.db2.gz VPGTWDBEIFPGJL-UHFFFAOYSA-N 0 0 181.235 2.166 10 30 AEEERN CCON=Cc1cccc(F)c1F 308290350 630008158 /nfs/dbraw/zinc/00/81/58/630008158.db2.gz DMUDDVKTQHJVJV-UHFFFAOYSA-N 0 0 185.173 2.335 10 30 AEEERN C=CCCCN(C)C(=O)/C=C\SC 308299983 630008442 /nfs/dbraw/zinc/00/84/42/630008442.db2.gz JVOIGUVJKXIOLD-CLFYSBASSA-N 0 0 199.319 2.288 10 30 AEEERN CC[C@H](C)CON=CCCCOC 308291367 630008965 /nfs/dbraw/zinc/00/89/65/630008965.db2.gz HEOXJMJARRWBKM-JTQLQIEISA-N 0 0 187.283 2.462 10 30 AEEERN COCC(C)=NOC1CCCCC1 308291267 630008990 /nfs/dbraw/zinc/00/89/90/630008990.db2.gz DZQZWDJTQOMUBB-UHFFFAOYSA-N 0 0 185.267 2.358 10 30 AEEERN C=CCCCN(C)C(=O)/C=C/SC 308299986 630009095 /nfs/dbraw/zinc/00/90/95/630009095.db2.gz JVOIGUVJKXIOLD-VQHVLOKHSA-N 0 0 199.319 2.288 10 30 AEEERN C=C[C@@H](C)OC(=O)c1cc(C)sn1 308285471 630009497 /nfs/dbraw/zinc/00/94/97/630009497.db2.gz YSINVVBDVBQBLM-ZCFIWIBFSA-N 0 0 197.259 2.183 10 30 AEEERN C=CCCOC(=O)C[C@@H]1C=CCC1 308330383 630010237 /nfs/dbraw/zinc/01/02/37/630010237.db2.gz KGGYJAIWFRNJEO-SNVBAGLBSA-N 0 0 180.247 2.462 10 30 AEEERN C=C(C)CNN=C1CCC12CCC2 308324822 630010250 /nfs/dbraw/zinc/01/02/50/630010250.db2.gz DYCHBBPNIGSHGQ-UHFFFAOYSA-N 0 0 178.279 2.472 10 30 AEEERN C=CCCCOC(=O)c1cc[nH]c1 308321630 630010347 /nfs/dbraw/zinc/01/03/47/630010347.db2.gz BNTIAOTYQZAIBH-UHFFFAOYSA-N 0 0 179.219 2.138 10 30 AEEERN C#CC[C@H](OC(=O)CCC)C1CC1 308321126 630010412 /nfs/dbraw/zinc/01/04/12/630010412.db2.gz YPZVXXQGGGJKBE-JTQLQIEISA-N 0 0 180.247 2.132 10 30 AEEERN CC[C@@H](C)CON=C[C@H](C)COC 308318100 630010449 /nfs/dbraw/zinc/01/04/49/630010449.db2.gz WXHCOEOSPJNZDC-ZJUUUORDSA-N 0 0 187.283 2.317 10 30 AEEERN C=C(C)CNN=Cc1ccccc1 308325388 630010537 /nfs/dbraw/zinc/01/05/37/630010537.db2.gz FJJPKQYZJFXCFW-UHFFFAOYSA-N 0 0 174.247 2.186 10 30 AEEERN C=CCCOC(=O)C[C@H]1C=CCC1 308330382 630010554 /nfs/dbraw/zinc/01/05/54/630010554.db2.gz KGGYJAIWFRNJEO-JTQLQIEISA-N 0 0 180.247 2.462 10 30 AEEERN C#CC[C@@H](OC(=O)CCC)C1CC1 308321127 630010716 /nfs/dbraw/zinc/01/07/16/630010716.db2.gz YPZVXXQGGGJKBE-SNVBAGLBSA-N 0 0 180.247 2.132 10 30 AEEERN CCC[C@H](C)C(=O)OC(C)(C)C#N 308449355 630013097 /nfs/dbraw/zinc/01/30/97/630013097.db2.gz CSVRGERAMFIADW-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN CCC(CC)C(=O)O[C@@H](C)CC#N 308436353 630013430 /nfs/dbraw/zinc/01/34/30/630013430.db2.gz WRYXDXVSJLESQP-QMMMGPOBSA-N 0 0 183.251 2.268 10 30 AEEERN CC/C=C/COC(=O)CCCC#N 308449708 630013794 /nfs/dbraw/zinc/01/37/94/630013794.db2.gz CTTBVFPBNRHYBW-ZZXKWVIFSA-N 0 0 181.235 2.190 10 30 AEEERN CON=C1Cc2ccc(Cl)cc2C1 308451962 630013979 /nfs/dbraw/zinc/01/39/79/630013979.db2.gz DUBUXLGSSWBVGE-UHFFFAOYSA-N 0 0 195.649 2.441 10 30 AEEERN Cc1cc(CNCCC#N)cs1 328470425 630016615 /nfs/dbraw/zinc/01/66/15/630016615.db2.gz ZJROFKXSFDVXDE-UHFFFAOYSA-N 0 0 180.276 2.060 10 30 AEEERN C#CCN(CC)C(=O)C[C@@H](C=C)CC 930579154 630027220 /nfs/dbraw/zinc/02/72/20/630027220.db2.gz BEYRFHZAJNGHOC-NSHDSACASA-N 0 0 193.290 2.070 10 30 AEEERN C#CCN(CC)C(=O)C[C@H](C=C)CC 930579153 630027409 /nfs/dbraw/zinc/02/74/09/630027409.db2.gz BEYRFHZAJNGHOC-LLVKDONJSA-N 0 0 193.290 2.070 10 30 AEEERN C=C(Cl)CN[C@H]1CCC[C@H]1C#N 162478697 630031861 /nfs/dbraw/zinc/03/18/61/630031861.db2.gz VENSSBFNYRTGKG-IUCAKERBSA-N 0 0 184.670 2.021 10 30 AEEERN C=C(Cl)CN[C@@H]1CCC[C@H]1C#N 162478561 630031087 /nfs/dbraw/zinc/03/10/87/630031087.db2.gz VENSSBFNYRTGKG-DTWKUNHWSA-N 0 0 184.670 2.021 10 30 AEEERN C=C(Cl)CN[C@@H]1CCC[C@@H]1C#N 162478310 630031139 /nfs/dbraw/zinc/03/11/39/630031139.db2.gz VENSSBFNYRTGKG-RKDXNWHRSA-N 0 0 184.670 2.021 10 30 AEEERN CC(C)CO[P@](C)(=O)CCC#N 3105926 630038888 /nfs/dbraw/zinc/03/88/88/630038888.db2.gz WWRMHQGXOHJHFJ-LBPRGKRZSA-N 0 0 189.195 2.481 10 30 AEEERN C[C@@H](S)CC(=O)Nc1ccccc1 196858252 630039177 /nfs/dbraw/zinc/03/91/77/630039177.db2.gz LZFZNWGGPFQEJN-MRVPVSSYSA-N 0 0 195.287 2.334 10 30 AEEERN C[C@H](S)CC(=O)Nc1ccccc1 196858241 630039236 /nfs/dbraw/zinc/03/92/36/630039236.db2.gz LZFZNWGGPFQEJN-QMMMGPOBSA-N 0 0 195.287 2.334 10 30 AEEERN C[C@@H](CCC#N)N1CC[C@H]1C(F)F 931425830 630040055 /nfs/dbraw/zinc/04/00/55/630040055.db2.gz RDKYXVISJWKTKT-YUMQZZPRSA-N 0 0 188.221 2.018 10 30 AEEERN CCC#C[C@H](C)N1CC[C@H]1C(F)F 931426302 630040079 /nfs/dbraw/zinc/04/00/79/630040079.db2.gz UFBLEJNRQJTSII-IUCAKERBSA-N 0 0 187.233 2.128 10 30 AEEERN C[C@H](CCC#N)N1CC[C@H]1C(F)F 931425829 630040138 /nfs/dbraw/zinc/04/01/38/630040138.db2.gz RDKYXVISJWKTKT-SFYZADRCSA-N 0 0 188.221 2.018 10 30 AEEERN C=C(CC)CN1CC[C@@H]1C(F)F 931426311 630040174 /nfs/dbraw/zinc/04/01/74/630040174.db2.gz UIXCNWWKGMZAIV-MRVPVSSYSA-N 0 0 175.222 2.292 10 30 AEEERN C[C@H](CCC#N)N1CC[C@@H]1C(F)F 931425827 630040317 /nfs/dbraw/zinc/04/03/17/630040317.db2.gz RDKYXVISJWKTKT-HTQZYQBOSA-N 0 0 188.221 2.018 10 30 AEEERN CO[C@H](C#N)c1cc(F)cc(F)c1 198739751 630040347 /nfs/dbraw/zinc/04/03/47/630040347.db2.gz GWHGEJLQCQCFOG-SECBINFHSA-N 0 0 183.157 2.176 10 30 AEEERN CCC#C[C@H](C)N1CC[C@@H]1C(F)F 931426301 630040643 /nfs/dbraw/zinc/04/06/43/630040643.db2.gz UFBLEJNRQJTSII-DTWKUNHWSA-N 0 0 187.233 2.128 10 30 AEEERN C=C(CC)CN1CC[C@H]1C(F)F 931426312 630040812 /nfs/dbraw/zinc/04/08/12/630040812.db2.gz UIXCNWWKGMZAIV-QMMMGPOBSA-N 0 0 175.222 2.292 10 30 AEEERN C[C@@H](CCC#N)N1CC[C@@H]1C(F)F 931425828 630040904 /nfs/dbraw/zinc/04/09/04/630040904.db2.gz RDKYXVISJWKTKT-JGVFFNPUSA-N 0 0 188.221 2.018 10 30 AEEERN C#CCCNc1cccc(C#C)c1 82496736 630040978 /nfs/dbraw/zinc/04/09/78/630040978.db2.gz DZBGJPGNQMEDLN-UHFFFAOYSA-N 0 0 169.227 2.103 10 30 AEEERN CCC#C[C@@H](C)N1CC[C@@H]1C(F)F 931426303 630041021 /nfs/dbraw/zinc/04/10/21/630041021.db2.gz UFBLEJNRQJTSII-RKDXNWHRSA-N 0 0 187.233 2.128 10 30 AEEERN CCC#C[C@@H](C)N1CC[C@H]1C(F)F 931426300 630041439 /nfs/dbraw/zinc/04/14/39/630041439.db2.gz UFBLEJNRQJTSII-BDAKNGLRSA-N 0 0 187.233 2.128 10 30 AEEERN C#CCCOc1cccc(F)c1C#N 82494157 630041757 /nfs/dbraw/zinc/04/17/57/630041757.db2.gz FBEJYXYXSGPVIQ-UHFFFAOYSA-N 0 0 189.189 2.099 10 30 AEEERN C=C(CC)CNC(=O)C=C(C)C 313479639 630045504 /nfs/dbraw/zinc/04/55/04/630045504.db2.gz GZOQVUXBGYPVEB-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C=C(Cl)Cn1nc(C)cc1C 82615102 630045627 /nfs/dbraw/zinc/04/56/27/630045627.db2.gz BXNPBAYJAUTXSX-UHFFFAOYSA-N 0 0 170.643 2.252 10 30 AEEERN CCCCCCCCC(=O)NC 106167112 630053381 /nfs/dbraw/zinc/05/33/81/630053381.db2.gz DWWMMANVIWQXLM-UHFFFAOYSA-N 0 0 171.284 2.483 10 30 AEEERN C=CCOC(=O)C[C@@H]1CC=CCC1 924246605 630061698 /nfs/dbraw/zinc/06/16/98/630061698.db2.gz IBYRHISIKJCTRP-SNVBAGLBSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCOC(=O)C[C@H]1CC=CCC1 924246604 630062532 /nfs/dbraw/zinc/06/25/32/630062532.db2.gz IBYRHISIKJCTRP-JTQLQIEISA-N 0 0 180.247 2.462 10 30 AEEERN C#CC1(NC(=O)/C(C)=C/C)CCCC1 893903450 630069436 /nfs/dbraw/zinc/06/94/36/630069436.db2.gz VAGLZHBGOZZSSS-ONNFQVAWSA-N 0 0 191.274 2.015 10 30 AEEERN C#CC1(NC(=O)/C(C)=C\C)CCCC1 893903451 630070105 /nfs/dbraw/zinc/07/01/05/630070105.db2.gz VAGLZHBGOZZSSS-WMZJFQQLSA-N 0 0 191.274 2.015 10 30 AEEERN C=CCN(CC=C)Cc1ocnc1C 893870742 630070264 /nfs/dbraw/zinc/07/02/64/630070264.db2.gz BEXVDVQXIMUJLA-UHFFFAOYSA-N 0 0 192.262 2.157 10 30 AEEERN CCC#CCOC(=O)C1(C2CC2)CC1 893844322 630070304 /nfs/dbraw/zinc/07/03/04/630070304.db2.gz RZBSWOIHYFCQEN-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN CCN(CCC#N)Cc1cc(C)co1 893922287 630070490 /nfs/dbraw/zinc/07/04/90/630070490.db2.gz CIBIFAWGLXRXQL-UHFFFAOYSA-N 0 0 192.262 2.324 10 30 AEEERN N#C[C@@H]1CCC[C@H]1NC/C=C/Cl 306176679 630080359 /nfs/dbraw/zinc/08/03/59/630080359.db2.gz WVPIDGVSVWNLDN-DMJFMDCBSA-N 0 0 184.670 2.021 10 30 AEEERN N#C[C@@H]1CCC[C@@H]1NC/C=C/Cl 306176680 630081411 /nfs/dbraw/zinc/08/14/11/630081411.db2.gz WVPIDGVSVWNLDN-GBJHPGTDSA-N 0 0 184.670 2.021 10 30 AEEERN CCON=C1CC(C)(C)C1 306204480 630086900 /nfs/dbraw/zinc/08/69/00/630086900.db2.gz DLHRGQDJWZBVMV-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN CON=C1CCC2(CC1)CC2 306246074 630088292 /nfs/dbraw/zinc/08/82/92/630088292.db2.gz ATLZXEPKRRZISD-UHFFFAOYSA-N 0 0 153.225 2.343 10 30 AEEERN C=C(C)CNN=C1CCCC1 306236755 630089206 /nfs/dbraw/zinc/08/92/06/630089206.db2.gz FIECQPIBOWXOLO-UHFFFAOYSA-N 0 0 152.241 2.082 10 30 AEEERN CC(C)(C#N)OC(=O)c1ccsc1 306321266 630095621 /nfs/dbraw/zinc/09/56/21/630095621.db2.gz JNPUJKVCVXSMOX-UHFFFAOYSA-N 0 0 195.243 2.207 10 30 AEEERN CCc1csc(SCC#N)n1 306545158 630123282 /nfs/dbraw/zinc/12/32/82/630123282.db2.gz AOLUMZMFXOUNLL-UHFFFAOYSA-N 0 0 184.289 2.321 10 30 AEEERN Cc1ccsc1C(=O)O[C@H](C)C#N 306624961 630124807 /nfs/dbraw/zinc/12/48/07/630124807.db2.gz GELVUKSSIMZWAG-SSDOTTSWSA-N 0 0 195.243 2.125 10 30 AEEERN C[C@@H](Nc1ccnc(C#N)c1)C(F)F 306900602 630138078 /nfs/dbraw/zinc/13/80/78/630138078.db2.gz MARVHMJUDCGGFL-ZCFIWIBFSA-N 0 0 197.188 2.019 10 30 AEEERN CC(C)(C#N)OC(=O)c1cccs1 307011040 630141464 /nfs/dbraw/zinc/14/14/64/630141464.db2.gz JOFZLKMRJJHMLP-UHFFFAOYSA-N 0 0 195.243 2.207 10 30 AEEERN C1CC1CON=C1CC2(CC2)C1 307156395 630147720 /nfs/dbraw/zinc/14/77/20/630147720.db2.gz FXLBLRVEZUTQKX-UHFFFAOYSA-N 0 0 165.236 2.343 10 30 AEEERN C#CCON=C1C[C@H](C)C[C@@H](C)C1 307205212 630154649 /nfs/dbraw/zinc/15/46/49/630154649.db2.gz GLBBKLTXMYZFJX-NXEZZACHSA-N 0 0 179.263 2.448 10 30 AEEERN C#CCON=C1C[C@@H](C)C[C@H](C)C1 307205213 630153552 /nfs/dbraw/zinc/15/35/52/630153552.db2.gz GLBBKLTXMYZFJX-UWVGGRQHSA-N 0 0 179.263 2.448 10 30 AEEERN C#CCON=C1C[C@@H](C)C[C@@H](C)C1 307205211 630153989 /nfs/dbraw/zinc/15/39/89/630153989.db2.gz GLBBKLTXMYZFJX-AOOOYVTPSA-N 0 0 179.263 2.448 10 30 AEEERN CC1CC(N=Nc2ccncc2)C1 307256598 630155557 /nfs/dbraw/zinc/15/55/57/630155557.db2.gz CIAWNTMMGMDFAI-UHFFFAOYSA-N 0 0 175.235 2.279 10 30 AEEERN Cc1ccc(N=NC(C)C)nc1 307258858 630157815 /nfs/dbraw/zinc/15/78/15/630157815.db2.gz CATMJGTZUBVMID-UHFFFAOYSA-N 0 0 163.224 2.198 10 30 AEEERN CC(=O)OCC1(C#N)CCCCC1 307404197 630163596 /nfs/dbraw/zinc/16/35/96/630163596.db2.gz BIKIOWFJWWMNNQ-UHFFFAOYSA-N 0 0 181.235 2.024 10 30 AEEERN CCON=C1CC(C(C)C)C1 307370907 630163999 /nfs/dbraw/zinc/16/39/99/630163999.db2.gz PICIUXQQRHGJHK-UHFFFAOYSA-N 0 0 155.241 2.445 10 30 AEEERN CCCCON=C1CCC1 307403542 630164104 /nfs/dbraw/zinc/16/41/04/630164104.db2.gz BXGHDCSEJXMDKI-UHFFFAOYSA-N 0 0 141.214 2.343 10 30 AEEERN C1CCC(=NOC2CCOCC2)C1 307547529 630171850 /nfs/dbraw/zinc/17/18/50/630171850.db2.gz BFXVMHXKNUPGAZ-UHFFFAOYSA-N 0 0 183.251 2.112 10 30 AEEERN C1CC(=NOC2CCCC2)C1 307623348 630175293 /nfs/dbraw/zinc/17/52/93/630175293.db2.gz HUGQSYMJUVOUSD-UHFFFAOYSA-N 0 0 153.225 2.486 10 30 AEEERN CCCNN=C1CCCCC1 307612281 630176428 /nfs/dbraw/zinc/17/64/28/630176428.db2.gz HVMVXMQXOCFTMW-UHFFFAOYSA-N 0 0 154.257 2.306 10 30 AEEERN C#CCON=C1CC(C(C)C)C1 307638078 630179531 /nfs/dbraw/zinc/17/95/31/630179531.db2.gz ZJTCIUWDJHLERN-UHFFFAOYSA-N 0 0 165.236 2.058 10 30 AEEERN CCON=C1CC2(CCC2)C1 307756428 630192570 /nfs/dbraw/zinc/19/25/70/630192570.db2.gz HZRFRBQTOSNNMR-UHFFFAOYSA-N 0 0 153.225 2.343 10 30 AEEERN C#CCNc1ccc(CC)cc1 49136499 630193542 /nfs/dbraw/zinc/19/35/42/630193542.db2.gz HYNHWHMUAPUBFL-UHFFFAOYSA-N 0 0 159.232 2.294 10 30 AEEERN C#CCN(C)c1cc(C)cc(C)c1 48400508 630194190 /nfs/dbraw/zinc/19/41/90/630194190.db2.gz FXRCYYYEHMUONA-UHFFFAOYSA-N 0 0 173.259 2.373 10 30 AEEERN CC[C@@H](C)CON=C(C)c1cn[nH]c1 793159338 630194222 /nfs/dbraw/zinc/19/42/22/630194222.db2.gz NQCBCOSZGSHTNC-MRVPVSSYSA-N 0 0 195.266 2.196 10 30 AEEERN C#CCNc1cc(C)cc(C)c1 49136467 630194547 /nfs/dbraw/zinc/19/45/47/630194547.db2.gz CLPYQNUVCWZQDS-UHFFFAOYSA-N 0 0 159.232 2.349 10 30 AEEERN C#C[C@@H](C)OC(=O)c1c(C)coc1C 793159757 630194564 /nfs/dbraw/zinc/19/45/64/630194564.db2.gz YSYFHYSMAGZIGK-MRVPVSSYSA-N 0 0 192.214 2.075 10 30 AEEERN CC[C@H](C)CON=C(C)c1cn[nH]c1 793159339 630195141 /nfs/dbraw/zinc/19/51/41/630195141.db2.gz NQCBCOSZGSHTNC-QMMMGPOBSA-N 0 0 195.266 2.196 10 30 AEEERN C#C[C@H](C)OC(=O)c1c(C)coc1C 793159767 630195294 /nfs/dbraw/zinc/19/52/94/630195294.db2.gz YSYFHYSMAGZIGK-QMMMGPOBSA-N 0 0 192.214 2.075 10 30 AEEERN CCON=C1CCC12CCC2 307894554 630195973 /nfs/dbraw/zinc/19/59/73/630195973.db2.gz HFPMXFUAWGJRDH-UHFFFAOYSA-N 0 0 153.225 2.343 10 30 AEEERN C#CCN(CC)c1ccc(C)cc1 49988472 630196096 /nfs/dbraw/zinc/19/60/96/630196096.db2.gz JBFUNGKIHBFBCC-UHFFFAOYSA-N 0 0 173.259 2.455 10 30 AEEERN CON=Cc1ccc(F)c(C)c1 308003184 630200399 /nfs/dbraw/zinc/20/03/99/630200399.db2.gz BWTUGSXEXLZUSO-UHFFFAOYSA-N 0 0 167.183 2.114 10 30 AEEERN CON=C(C)c1cc(C)c(C)o1 308003142 630201348 /nfs/dbraw/zinc/20/13/48/630201348.db2.gz BSZYXVRDAMKJMT-UHFFFAOYSA-N 0 0 167.208 2.267 10 30 AEEERN C#CCCNC(=O)C1(C)CCCCC1 232226095 630202523 /nfs/dbraw/zinc/20/25/23/630202523.db2.gz GLXWOKDBTKASQZ-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C#CCCNc1nccc2occc12 230905682 630205270 /nfs/dbraw/zinc/20/52/70/630205270.db2.gz YAMBXBXFFHKNGC-UHFFFAOYSA-N 0 0 186.214 2.263 10 30 AEEERN C#CCCCOC(=O)C[C@H](C)C1CC1 727039043 630207528 /nfs/dbraw/zinc/20/75/28/630207528.db2.gz GWESMMJLBBZRAH-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCOC(=O)[C@@H]1CC=CCC1 727040502 630207614 /nfs/dbraw/zinc/20/76/14/630207614.db2.gz DAMIZDIUFGDOLF-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCCOC(=O)C[C@@H](C)C1CC1 727039045 630207794 /nfs/dbraw/zinc/20/77/94/630207794.db2.gz GWESMMJLBBZRAH-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C#CCCCOC(=O)[C@H]1CC=CCC1 727040503 630207900 /nfs/dbraw/zinc/20/79/00/630207900.db2.gz DAMIZDIUFGDOLF-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN C=C(C)CCOc1cc(C)n(C)n1 393719747 630209650 /nfs/dbraw/zinc/20/96/50/630209650.db2.gz ACJRTONONCXRHC-UHFFFAOYSA-N 0 0 180.251 2.074 10 30 AEEERN FC1(C=NOCc2cccnc2)CC1 794523672 630209871 /nfs/dbraw/zinc/20/98/71/630209871.db2.gz RBNCSBAZQMSNDX-UHFFFAOYSA-N 0 0 194.209 2.086 10 30 AEEERN C=CC(C)(C)NC(=O)NC/C=C/CC 895140617 630211119 /nfs/dbraw/zinc/21/11/19/630211119.db2.gz OHOBTJAZDZHDOX-BQYQJAHWSA-N 0 0 196.294 2.216 10 30 AEEERN C=CC(C)(C)NC(=O)NC/C=C\CC 895140618 630211489 /nfs/dbraw/zinc/21/14/89/630211489.db2.gz OHOBTJAZDZHDOX-FPLPWBNLSA-N 0 0 196.294 2.216 10 30 AEEERN C=C[C@@H](CC)CC(=O)OCC#CC 909524264 630218500 /nfs/dbraw/zinc/21/85/00/630218500.db2.gz FNIJGQQOUUXXQC-JTQLQIEISA-N 0 0 180.247 2.155 10 30 AEEERN C=C[C@@H](CC)CC(=O)O[C@H](C#N)CC 909523955 630218694 /nfs/dbraw/zinc/21/86/94/630218694.db2.gz CYZHLJCJJJAUCN-UWVGGRQHSA-N 0 0 195.262 2.434 10 30 AEEERN C#CCCOC(=O)C[C@@H](C=C)CC 909523765 630218941 /nfs/dbraw/zinc/21/89/41/630218941.db2.gz ALXJHFMZNUKMKX-JTQLQIEISA-N 0 0 180.247 2.155 10 30 AEEERN C=C[C@@H](CC)CC(=O)O[C@@H](C#N)CC 909523956 630219388 /nfs/dbraw/zinc/21/93/88/630219388.db2.gz CYZHLJCJJJAUCN-VHSXEESVSA-N 0 0 195.262 2.434 10 30 AEEERN C=C[C@H](CC)CC(=O)O[C@@H](C#N)CC 909523954 630219842 /nfs/dbraw/zinc/21/98/42/630219842.db2.gz CYZHLJCJJJAUCN-NXEZZACHSA-N 0 0 195.262 2.434 10 30 AEEERN C=C[C@H](CC)CC(=O)OCC#CC 909524265 630220213 /nfs/dbraw/zinc/22/02/13/630220213.db2.gz FNIJGQQOUUXXQC-SNVBAGLBSA-N 0 0 180.247 2.155 10 30 AEEERN C#CCCOC(=O)C[C@H](C=C)CC 909523767 630220496 /nfs/dbraw/zinc/22/04/96/630220496.db2.gz ALXJHFMZNUKMKX-SNVBAGLBSA-N 0 0 180.247 2.155 10 30 AEEERN C=C[C@H](CC)CC(=O)O[C@H](C#N)CC 909523957 630220569 /nfs/dbraw/zinc/22/05/69/630220569.db2.gz CYZHLJCJJJAUCN-ZJUUUORDSA-N 0 0 195.262 2.434 10 30 AEEERN C=C[C@H](CC)CC(=O)O[C@H](C)C(C)=O 909529082 630222565 /nfs/dbraw/zinc/22/25/65/630222565.db2.gz HFNVFWXOOKXBSO-NXEZZACHSA-N 0 0 198.262 2.109 10 30 AEEERN C=C[C@@H](CC)CC(=O)O[C@H](C)C(C)=O 909529085 630223043 /nfs/dbraw/zinc/22/30/43/630223043.db2.gz HFNVFWXOOKXBSO-ZJUUUORDSA-N 0 0 198.262 2.109 10 30 AEEERN C=C[C@H](CC)CC(=O)O[C@@H](C)C(C)=O 909529084 630224609 /nfs/dbraw/zinc/22/46/09/630224609.db2.gz HFNVFWXOOKXBSO-VHSXEESVSA-N 0 0 198.262 2.109 10 30 AEEERN C=C[C@@H](CC)CC(=O)O[C@@H](C)C(C)=O 909529083 630224643 /nfs/dbraw/zinc/22/46/43/630224643.db2.gz HFNVFWXOOKXBSO-UWVGGRQHSA-N 0 0 198.262 2.109 10 30 AEEERN C=C(Cl)CN[C@H]1CCCC[C@@H]1C#N 167864301 630239003 /nfs/dbraw/zinc/23/90/03/630239003.db2.gz HJHKLKAKLSGPLH-ZJUUUORDSA-N 0 0 198.697 2.411 10 30 AEEERN C#Cc1cccc(N(C)C(=O)CC)c1 728482741 630241093 /nfs/dbraw/zinc/24/10/93/630241093.db2.gz GIJITSYVITYODM-UHFFFAOYSA-N 0 0 187.242 2.041 10 30 AEEERN C#C[C@@H](C)OC(=O)C1=C(C)CCC1 306150312 630242833 /nfs/dbraw/zinc/24/28/33/630242833.db2.gz FRICITGBUCMHSA-SECBINFHSA-N 0 0 178.231 2.052 10 30 AEEERN O=C(/C=C/c1cn[nH]c1)c1ccccc1 751525679 630242864 /nfs/dbraw/zinc/24/28/64/630242864.db2.gz JRWOSUKWZCWJIB-VOTSOKGWSA-N 0 0 198.225 2.306 10 30 AEEERN CC#CCSc1nccs1 306149759 630243366 /nfs/dbraw/zinc/24/33/66/630243366.db2.gz BVKRCWOAXOOCDH-UHFFFAOYSA-N 0 0 169.274 2.259 10 30 AEEERN CC(C)SC[C@H](C)S 143364022 630243745 /nfs/dbraw/zinc/24/37/45/630243745.db2.gz RUOXRKVMSIGXOY-LURJTMIESA-N 0 0 150.312 2.446 10 30 AEEERN O=C(/C=C\c1cn[nH]c1)c1ccccc1 751525666 630244115 /nfs/dbraw/zinc/24/41/15/630244115.db2.gz JRWOSUKWZCWJIB-SREVYHEPSA-N 0 0 198.225 2.306 10 30 AEEERN CC(C)SC[C@@H](C)S 143363807 630244362 /nfs/dbraw/zinc/24/43/62/630244362.db2.gz RUOXRKVMSIGXOY-ZCFIWIBFSA-N 0 0 150.312 2.446 10 30 AEEERN CC#CCOC(=O)c1csc(C)c1 306429099 630246444 /nfs/dbraw/zinc/24/64/44/630246444.db2.gz OASCSCFOARFPQD-UHFFFAOYSA-N 0 0 194.255 2.237 10 30 AEEERN C=C[C@@H](C)OC(=O)[C@H](C)CC 143837360 630248663 /nfs/dbraw/zinc/24/86/63/630248663.db2.gz CCKCVMDGHFLVGO-HTQZYQBOSA-N 0 0 156.225 2.150 10 30 AEEERN C=CC[N@@H+](C)C[C@H]1CC1(Cl)Cl 307725760 630248875 /nfs/dbraw/zinc/24/88/75/630248875.db2.gz CHVULLQXOOLAGM-SSDOTTSWSA-N 0 0 194.105 2.298 10 30 AEEERN C=C[C@@H](C)Nc1ncc(SC)cn1 307318005 630249261 /nfs/dbraw/zinc/24/92/61/630249261.db2.gz LNCKJLYEEYZFJN-SSDOTTSWSA-N 0 0 195.291 2.185 10 30 AEEERN C=C(Cl)CSc1cccnn1 307706048 630249317 /nfs/dbraw/zinc/24/93/17/630249317.db2.gz ZHLBLVZRIICJPZ-UHFFFAOYSA-N 0 0 186.667 2.321 10 30 AEEERN C=C[C@H](C)OC(=O)[C@H](C)CC 143836972 630249967 /nfs/dbraw/zinc/24/99/67/630249967.db2.gz CCKCVMDGHFLVGO-SFYZADRCSA-N 0 0 156.225 2.150 10 30 AEEERN C#C[C@@H](C)OC(=O)C1(C)CCCC1 307728758 630250067 /nfs/dbraw/zinc/25/00/67/630250067.db2.gz FLSNJRCTNXEFHK-SECBINFHSA-N 0 0 180.247 2.132 10 30 AEEERN C=C[C@@H](C)OC(=O)CC(C)C 143831477 630250264 /nfs/dbraw/zinc/25/02/64/630250264.db2.gz LFXYJUDBZYSDIZ-MRVPVSSYSA-N 0 0 156.225 2.150 10 30 AEEERN CC#CCOC(=O)c1sccc1F 307486803 630250328 /nfs/dbraw/zinc/25/03/28/630250328.db2.gz VHCRUZJGDAJELR-UHFFFAOYSA-N 0 0 198.218 2.067 10 30 AEEERN C=CCON=CC1CCC(OC)CC1 863118396 630348488 /nfs/dbraw/zinc/34/84/88/630348488.db2.gz WVBZBNXVJIPXBG-UHFFFAOYSA-N 0 0 197.278 2.380 10 30 AEEERN C=CCOC(=O)C1=CCCCC1 204606335 630384568 /nfs/dbraw/zinc/38/45/68/630384568.db2.gz BQSMTUZVCGQEDC-UHFFFAOYSA-N 0 0 166.220 2.216 10 30 AEEERN C#CCCN(C)c1ccc(F)cc1 82493988 630454385 /nfs/dbraw/zinc/45/43/85/630454385.db2.gz HBYQWCFOSGJWOJ-UHFFFAOYSA-N 0 0 177.222 2.285 10 30 AEEERN C#CCCNc1cc(OC)ccc1F 87287085 630482069 /nfs/dbraw/zinc/48/20/69/630482069.db2.gz YYVOPDMODONAKQ-UHFFFAOYSA-N 0 0 193.221 2.270 10 30 AEEERN C=C1CN(C(=O)[C@@H](C)CC(C)C)C1 898700727 630506760 /nfs/dbraw/zinc/50/67/60/630506760.db2.gz KCNLGGZJIUDZGZ-JTQLQIEISA-N 0 0 181.279 2.067 10 30 AEEERN C=C1CN(C(=O)[C@@H]2C[C@]2(C)C(C)C)C1 898700341 630506821 /nfs/dbraw/zinc/50/68/21/630506821.db2.gz FZEYISQCCONDQB-CMPLNLGQSA-N 0 0 193.290 2.067 10 30 AEEERN C=C1CN(C(=O)[C@H]2CCCC2(C)C)C1 898700260 630507296 /nfs/dbraw/zinc/50/72/96/630507296.db2.gz BGISCIUWHKJZMZ-SNVBAGLBSA-N 0 0 193.290 2.211 10 30 AEEERN C=C1CN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 898700342 630507571 /nfs/dbraw/zinc/50/75/71/630507571.db2.gz FZEYISQCCONDQB-JQWIXIFHSA-N 0 0 193.290 2.067 10 30 AEEERN C=C1CN(C(=O)[C@H](C)CC(C)C)C1 898700729 630507684 /nfs/dbraw/zinc/50/76/84/630507684.db2.gz KCNLGGZJIUDZGZ-SNVBAGLBSA-N 0 0 181.279 2.067 10 30 AEEERN C=C1CN(C(=O)[C@@H]2CCCC2(C)C)C1 898700259 630507764 /nfs/dbraw/zinc/50/77/64/630507764.db2.gz BGISCIUWHKJZMZ-JTQLQIEISA-N 0 0 193.290 2.211 10 30 AEEERN C#CCN1CCCc2cc(C)ccc21 41635719 630508103 /nfs/dbraw/zinc/50/81/03/630508103.db2.gz GRTNWINEXFVLLR-UHFFFAOYSA-N 0 0 185.270 2.381 10 30 AEEERN C=C1CN(C(=O)[C@H]2C[C@]2(C)C(C)C)C1 898700344 630508235 /nfs/dbraw/zinc/50/82/35/630508235.db2.gz FZEYISQCCONDQB-ZYHUDNBSSA-N 0 0 193.290 2.067 10 30 AEEERN C=C1CN(C(=O)[C@H]2C[C@@]2(C)C(C)C)C1 898700343 630508317 /nfs/dbraw/zinc/50/83/17/630508317.db2.gz FZEYISQCCONDQB-PWSUYJOCSA-N 0 0 193.290 2.067 10 30 AEEERN C=C1CN(C(=O)C(C)(CC)CC)C1 898700244 630508332 /nfs/dbraw/zinc/50/83/32/630508332.db2.gz ANKKUUIHDJWXBW-UHFFFAOYSA-N 0 0 181.279 2.211 10 30 AEEERN C[C@H]1CCc2ccccc2N1CC#N 19802620 524439551 /nfs/dbraw/zinc/43/95/51/524439551.db2.gz FHZTTZSYMAAYCD-JTQLQIEISA-N 0 0 186.258 2.351 10 30 AEEERN Cc1ncsc1[C@H](C)S 78314517 630746060 /nfs/dbraw/zinc/74/60/60/630746060.db2.gz WATBSASFJDJBCU-YFKPBYRVSA-N 0 0 159.279 2.442 10 30 AEEERN C=C(C)CON=Cc1ccc(OC)o1 901259321 630746504 /nfs/dbraw/zinc/74/65/04/630746504.db2.gz QWJVPBIUCQITSM-UHFFFAOYSA-N 0 0 195.218 2.215 10 30 AEEERN C=C[C@@H](C)ON=Cc1ccc(OC)o1 901261506 630746545 /nfs/dbraw/zinc/74/65/45/630746545.db2.gz KLKVUGXAGJEPGK-MRVPVSSYSA-N 0 0 195.218 2.213 10 30 AEEERN C=C[C@H](C)ON=Cc1ccc(OC)o1 901261508 630746628 /nfs/dbraw/zinc/74/66/28/630746628.db2.gz KLKVUGXAGJEPGK-QMMMGPOBSA-N 0 0 195.218 2.213 10 30 AEEERN COC[C@H](CON=C1CCC1)C(C)C 902264502 630749201 /nfs/dbraw/zinc/74/92/01/630749201.db2.gz ZGNMMJLKSWZTOM-SNVBAGLBSA-N 0 0 199.294 2.462 10 30 AEEERN COC[C@@H](CON=C1CCC1)C(C)C 902264500 630749630 /nfs/dbraw/zinc/74/96/30/630749630.db2.gz ZGNMMJLKSWZTOM-JTQLQIEISA-N 0 0 199.294 2.462 10 30 AEEERN C=CCN(C(=O)C(F)F)C(C)(C)C 232498937 630749952 /nfs/dbraw/zinc/74/99/52/630749952.db2.gz FXZUSNDIDGSTFZ-UHFFFAOYSA-N 0 0 191.221 2.065 10 30 AEEERN C#CCCCSCCCOC 163576841 630750765 /nfs/dbraw/zinc/75/07/65/630750765.db2.gz IKHIUACZQDGEHY-UHFFFAOYSA-N 0 0 172.293 2.170 10 30 AEEERN C#CCON=C[C@@H]1C[C@@H]2C=C[C@H]1CC2 842532584 630752311 /nfs/dbraw/zinc/75/23/11/630752311.db2.gz CAFCTMCHZCDDHR-WOPDTQHZSA-N 0 0 189.258 2.224 10 30 AEEERN CC[C@@H](C#N)OC(=O)c1cccs1 84455250 630752803 /nfs/dbraw/zinc/75/28/03/630752803.db2.gz DQHXOKSLOOAUFX-ZETCQYMHSA-N 0 0 195.243 2.207 10 30 AEEERN CC1(C=NOC2CCCCC2)COC1 814909097 630754552 /nfs/dbraw/zinc/75/45/52/630754552.db2.gz DTURDKGROBDTQA-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN Cc1sccc1CS 149506058 630761821 /nfs/dbraw/zinc/76/18/21/630761821.db2.gz AEPIHGRICVZEIN-UHFFFAOYSA-N 0 0 144.264 2.486 10 30 AEEERN C=CCCCN(CC)C(=O)OC 908351200 630763374 /nfs/dbraw/zinc/76/33/74/630763374.db2.gz DOROBNQUVSXOLT-UHFFFAOYSA-N 0 0 171.240 2.041 10 30 AEEERN C=CCCCN(CC)C(=O)N(C)CC 908356723 630766601 /nfs/dbraw/zinc/76/66/01/630766601.db2.gz ZJALEESNFJNLPD-UHFFFAOYSA-N 0 0 198.310 2.346 10 30 AEEERN C=CCC(C)(C)CNC(=O)CCF 908397204 630767831 /nfs/dbraw/zinc/76/78/31/630767831.db2.gz LZCSGOLVNOMVJY-UHFFFAOYSA-N 0 0 187.258 2.065 10 30 AEEERN C=CC(C)(C)NC(=O)N(C)CC(C)C 908462853 630768738 /nfs/dbraw/zinc/76/87/38/630768738.db2.gz YSRRKFLRTHAVSW-UHFFFAOYSA-N 0 0 198.310 2.248 10 30 AEEERN C=CC(C)(C)NC(=O)N1CC[C@@H](C)C1 908462092 630768883 /nfs/dbraw/zinc/76/88/83/630768883.db2.gz JNCWNOHNWFOOIT-SECBINFHSA-N 0 0 196.294 2.002 10 30 AEEERN C=CC(C)(C)NC(=O)N(C)C(C)C 908462824 630768750 /nfs/dbraw/zinc/76/87/50/630768750.db2.gz YDHYPZJDOOSCMJ-UHFFFAOYSA-N 0 0 184.283 2.001 10 30 AEEERN C=CC(C)(C)NC(=O)OCCC 908466689 630769082 /nfs/dbraw/zinc/76/90/82/630769082.db2.gz OGUGHTDZKYHNLT-UHFFFAOYSA-N 0 0 171.240 2.087 10 30 AEEERN C=CC(C)(C)NC(=O)OCC1CC1 908462378 630769317 /nfs/dbraw/zinc/76/93/17/630769317.db2.gz OOQGVYFUFGXHOB-UHFFFAOYSA-N 0 0 183.251 2.087 10 30 AEEERN C=CC(C)(C)NC(=O)N(CC)C(C)C 908462636 630769600 /nfs/dbraw/zinc/76/96/00/630769600.db2.gz UFPXIBPOTQMKAC-UHFFFAOYSA-N 0 0 198.310 2.391 10 30 AEEERN C=C1CN(C(=O)c2cc(C)cs2)C1 701563274 630770205 /nfs/dbraw/zinc/77/02/05/630770205.db2.gz ALOZSTCQKJQWOG-UHFFFAOYSA-N 0 0 193.271 2.069 10 30 AEEERN C=CC(C)(C)NC(=O)N(C)CCC 908462063 630770393 /nfs/dbraw/zinc/77/03/93/630770393.db2.gz JENJOBAWDYBGON-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C=CC(C)(C)NC(=O)N(CC)CC 908462781 630770573 /nfs/dbraw/zinc/77/05/73/630770573.db2.gz WOYZVLIYLZKCSM-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C=CC(C)(C)NC(=O)N1CC[C@H](C)C1 908462093 630770781 /nfs/dbraw/zinc/77/07/81/630770781.db2.gz JNCWNOHNWFOOIT-VIFPVBQESA-N 0 0 196.294 2.002 10 30 AEEERN C=CC(C)(C)NC(=O)OCCCF 908467093 630771002 /nfs/dbraw/zinc/77/10/02/630771002.db2.gz XLXHBUAPHVBUNW-UHFFFAOYSA-N 0 0 189.230 2.037 10 30 AEEERN C=CC(C)(C)NC(=O)OC1CCC1 908466698 630771289 /nfs/dbraw/zinc/77/12/89/630771289.db2.gz ONFRDTLWUMFYKU-UHFFFAOYSA-N 0 0 183.251 2.230 10 30 AEEERN C=C(C)C[C@H](C)C(=O)NCCCC#N 613400913 630771474 /nfs/dbraw/zinc/77/14/74/630771474.db2.gz CDTCXZXVSNQYLJ-JTQLQIEISA-N 0 0 194.278 2.009 10 30 AEEERN C=C(C)C[C@@H](C)C(=O)NCCCC#N 613400914 630771549 /nfs/dbraw/zinc/77/15/49/630771549.db2.gz CDTCXZXVSNQYLJ-SNVBAGLBSA-N 0 0 194.278 2.009 10 30 AEEERN CC[C@@H](C)C(C)=NOC[C@H]1CCOC1 788029365 630772234 /nfs/dbraw/zinc/77/22/34/630772234.db2.gz FLLWWDRAGABXCT-KOLCDFICSA-N 0 0 199.294 2.462 10 30 AEEERN CC[C@@H](C)C(C)=NOC[C@@H]1CCOC1 788029366 630772597 /nfs/dbraw/zinc/77/25/97/630772597.db2.gz FLLWWDRAGABXCT-MWLCHTKSSA-N 0 0 199.294 2.462 10 30 AEEERN CCC(=NOCCOC)C1CCC1 834963538 630773128 /nfs/dbraw/zinc/77/31/28/630773128.db2.gz DDSHFKFDHJANBD-UHFFFAOYSA-N 0 0 185.267 2.216 10 30 AEEERN N#CCCCCOC(=O)C1CCCC1 914616364 630773256 /nfs/dbraw/zinc/77/32/56/630773256.db2.gz AMJPJDYDYSVCSO-UHFFFAOYSA-N 0 0 195.262 2.414 10 30 AEEERN CC[C@H](C)C(C)=NOC[C@@H]1CCOC1 788029364 630773305 /nfs/dbraw/zinc/77/33/05/630773305.db2.gz FLLWWDRAGABXCT-GXSJLCMTSA-N 0 0 199.294 2.462 10 30 AEEERN FC1(F)C[C@@H]1C=NOC/C=C\Cl 834978884 630773325 /nfs/dbraw/zinc/77/33/25/630773325.db2.gz JJKPEHWTDLZYEW-FYLCEAINSA-N 0 0 195.596 2.397 10 30 AEEERN FC1(F)C[C@H]1C=NOC/C=C/Cl 834978879 630773379 /nfs/dbraw/zinc/77/33/79/630773379.db2.gz JJKPEHWTDLZYEW-FJWFUSJHSA-N 0 0 195.596 2.397 10 30 AEEERN FC1(F)C[C@H]1C=NOC/C=C\Cl 834978890 630773417 /nfs/dbraw/zinc/77/34/17/630773417.db2.gz JJKPEHWTDLZYEW-OFSRQPPASA-N 0 0 195.596 2.397 10 30 AEEERN FC1(F)C[C@@H]1C=NOC/C=C/Cl 834978867 630773497 /nfs/dbraw/zinc/77/34/97/630773497.db2.gz JJKPEHWTDLZYEW-CGPKBUNXSA-N 0 0 195.596 2.397 10 30 AEEERN CC[C@H](C)C(C)=NOC[C@H]1CCOC1 788029367 630773512 /nfs/dbraw/zinc/77/35/12/630773512.db2.gz FLLWWDRAGABXCT-ONGXEEELSA-N 0 0 199.294 2.462 10 30 AEEERN C#C[C@H](C)OC(=O)CCCCC 32178569 630774372 /nfs/dbraw/zinc/77/43/72/630774372.db2.gz KSURAUYMISABRX-VIFPVBQESA-N 0 0 168.236 2.132 10 30 AEEERN C=C(C)CC[C@H](C)OC(C)=O 32225602 630774387 /nfs/dbraw/zinc/77/43/87/630774387.db2.gz LPUVJRVSBZNREN-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN C=C(C)COC(=O)CC[C@H]1CCCO1 914971721 630774859 /nfs/dbraw/zinc/77/48/59/630774859.db2.gz CJAQMDKUPBOTNJ-SNVBAGLBSA-N 0 0 198.262 2.065 10 30 AEEERN C=CC1(CC(=O)NOC)CCCCC1 929856247 630775035 /nfs/dbraw/zinc/77/50/35/630775035.db2.gz UPRBAKLPTVSMFO-UHFFFAOYSA-N 0 0 197.278 2.191 10 30 AEEERN C#C[C@@H](C)OC(=O)CCCCC 32178573 630775389 /nfs/dbraw/zinc/77/53/89/630775389.db2.gz KSURAUYMISABRX-SECBINFHSA-N 0 0 168.236 2.132 10 30 AEEERN C=C(C)COC(=O)CC[C@@H]1CCCO1 914971720 630775672 /nfs/dbraw/zinc/77/56/72/630775672.db2.gz CJAQMDKUPBOTNJ-JTQLQIEISA-N 0 0 198.262 2.065 10 30 AEEERN C=C(C)CC[C@@H](C)OC(C)=O 32225603 630775761 /nfs/dbraw/zinc/77/57/61/630775761.db2.gz LPUVJRVSBZNREN-MRVPVSSYSA-N 0 0 156.225 2.294 10 30 AEEERN COc1ccc(C=NO)cc1Cl 252468181 630776384 /nfs/dbraw/zinc/77/63/84/630776384.db2.gz HVLSMUKUKRFWAQ-UHFFFAOYSA-N 0 0 185.610 2.157 10 30 AEEERN C#CCCCCCCn1ccnc1 929865939 630777358 /nfs/dbraw/zinc/77/73/58/630777358.db2.gz LSEFSSZJYDQYJJ-UHFFFAOYSA-N 0 0 176.263 2.467 10 30 AEEERN C=CCCC(=O)OC/C=C(\C)COC 908975888 630779910 /nfs/dbraw/zinc/77/99/10/630779910.db2.gz SEMCYCCNYHYEBR-JXMROGBWSA-N 0 0 198.262 2.089 10 30 AEEERN C=CCCC(=O)OC/C=C(/C)COC 908975889 630781172 /nfs/dbraw/zinc/78/11/72/630781172.db2.gz SEMCYCCNYHYEBR-YFHOEESVSA-N 0 0 198.262 2.089 10 30 AEEERN CCON=Cc1cccc(OCC)c1 915958018 630784544 /nfs/dbraw/zinc/78/45/44/630784544.db2.gz HZZUJXBOTBCALL-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN CCON=Cc1cnn(C(C)(C)C)c1 915958012 630784569 /nfs/dbraw/zinc/78/45/69/630784569.db2.gz HSYNSFUIBCWJDC-UHFFFAOYSA-N 0 0 195.266 2.009 10 30 AEEERN C#CCN1CCCc2cc(F)ccc21 917099696 630789175 /nfs/dbraw/zinc/78/91/75/630789175.db2.gz CEYCFNLOCRRQAM-UHFFFAOYSA-N 0 0 189.233 2.212 10 30 AEEERN N#Cc1nccn1C1CC2(CCC2)C1 917362472 630793928 /nfs/dbraw/zinc/79/39/28/630793928.db2.gz IHJHTHQLNIFGDD-UHFFFAOYSA-N 0 0 187.246 2.260 10 30 AEEERN C=CCC(CC=C)C(=O)N1CC=CC1 910008613 630794170 /nfs/dbraw/zinc/79/41/70/630794170.db2.gz GKELYAMZHZTBOZ-UHFFFAOYSA-N 0 0 191.274 2.153 10 30 AEEERN C=CCOC(=O)c1ccc(C)nc1C 917333037 630794556 /nfs/dbraw/zinc/79/45/56/630794556.db2.gz DVWWFBNSXUZHQG-UHFFFAOYSA-N 0 0 191.230 2.041 10 30 AEEERN C=CCC1(C(=O)N2CC=CC2)CCC1 910011348 630795865 /nfs/dbraw/zinc/79/58/65/630795865.db2.gz DTYCOXXJCXGJRE-UHFFFAOYSA-N 0 0 191.274 2.131 10 30 AEEERN CON=Cc1c[nH]c2cc(F)ccc12 917543152 630797104 /nfs/dbraw/zinc/79/71/04/630797104.db2.gz GISQXRZSAVFNSS-UHFFFAOYSA-N 0 0 192.193 2.287 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C 910074148 630797377 /nfs/dbraw/zinc/79/73/77/630797377.db2.gz CTUGLRZFMJKDNZ-VPOLOUISSA-N 0 0 194.274 2.398 10 30 AEEERN C=CCOC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 910062428 630798724 /nfs/dbraw/zinc/79/87/24/630798724.db2.gz CHJQXJVZQFNQET-REGJCICNSA-N 0 0 192.258 2.008 10 30 AEEERN C=CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C 910074149 630798765 /nfs/dbraw/zinc/79/87/65/630798765.db2.gz CTUGLRZFMJKDNZ-XWLWVQCSSA-N 0 0 194.274 2.398 10 30 AEEERN C#CCCOC(=O)CCC1(C)CC1 910037187 630798884 /nfs/dbraw/zinc/79/88/84/630798884.db2.gz CERBNVWDGDRWJX-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN N#CCCSC[C@H]1C[C@@]12CCOC2 917847143 630799561 /nfs/dbraw/zinc/79/95/61/630799561.db2.gz GJZYRBMJGZFKOH-NXEZZACHSA-N 0 0 197.303 2.060 10 30 AEEERN N#CCCSC[C@@H]1C[C@]12CCOC2 917847144 630799691 /nfs/dbraw/zinc/79/96/91/630799691.db2.gz GJZYRBMJGZFKOH-UWVGGRQHSA-N 0 0 197.303 2.060 10 30 AEEERN C[C@@H](SCCC#N)C1CC1 917847112 630799757 /nfs/dbraw/zinc/79/97/57/630799757.db2.gz FGEZRMPNFMMSKR-SSDOTTSWSA-N 0 0 155.266 2.432 10 30 AEEERN N#CCCSC[C@H]1C[C@]12CCOC2 917847146 630799931 /nfs/dbraw/zinc/79/99/31/630799931.db2.gz GJZYRBMJGZFKOH-ZJUUUORDSA-N 0 0 197.303 2.060 10 30 AEEERN C[C@H](SCCC#N)C1CC1 917847113 630800444 /nfs/dbraw/zinc/80/04/44/630800444.db2.gz FGEZRMPNFMMSKR-ZETCQYMHSA-N 0 0 155.266 2.432 10 30 AEEERN N#CCCSCCc1ccns1 917847941 630800550 /nfs/dbraw/zinc/80/05/50/630800550.db2.gz RHAYUSLOYVUNSJ-UHFFFAOYSA-N 0 0 198.316 2.332 10 30 AEEERN N#CCCSC[C@@H]1C[C@@]12CCOC2 917847145 630800735 /nfs/dbraw/zinc/80/07/35/630800735.db2.gz GJZYRBMJGZFKOH-VHSXEESVSA-N 0 0 197.303 2.060 10 30 AEEERN Cc1ncc(CSCCC#N)o1 917847187 630800954 /nfs/dbraw/zinc/80/09/54/630800954.db2.gz IGJHZLSJWIMDKQ-UHFFFAOYSA-N 0 0 182.248 2.130 10 30 AEEERN C=C[C@H](CC)CC(=O)N(C)CC 930027852 630804421 /nfs/dbraw/zinc/80/44/21/630804421.db2.gz IBRMFPDLYZIZJH-SECBINFHSA-N 0 0 169.268 2.067 10 30 AEEERN C=C[C@@H](CC)CC(=O)N(C)CC 930027853 630804888 /nfs/dbraw/zinc/80/48/88/630804888.db2.gz IBRMFPDLYZIZJH-VIFPVBQESA-N 0 0 169.268 2.067 10 30 AEEERN Cc1ccnc(SCC#N)c1 918750798 630806143 /nfs/dbraw/zinc/80/61/43/630806143.db2.gz DKKKGCUUMYGUAH-UHFFFAOYSA-N 0 0 164.233 2.006 10 30 AEEERN Cc1ccnc(S[C@H](C)C#N)c1 918755934 630807196 /nfs/dbraw/zinc/80/71/96/630807196.db2.gz CXRHNMPLTDRQCJ-MRVPVSSYSA-N 0 0 178.260 2.394 10 30 AEEERN Cc1ccnc(S[C@@H](C)C#N)c1 918755978 630808076 /nfs/dbraw/zinc/80/80/76/630808076.db2.gz CXRHNMPLTDRQCJ-QMMMGPOBSA-N 0 0 178.260 2.394 10 30 AEEERN C/C(=C/C(=O)OCCCC#N)C1CC1 919543721 630808940 /nfs/dbraw/zinc/80/89/40/630808940.db2.gz CVFHQGDNNUTZIN-HJWRWDBZSA-N 0 0 193.246 2.190 10 30 AEEERN C/C(=C\C(=O)OCCCC#N)C1CC1 919543720 630810077 /nfs/dbraw/zinc/81/00/77/630810077.db2.gz CVFHQGDNNUTZIN-CMDGGOBGSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCCn1cc(C)sc1=O 920324424 630814322 /nfs/dbraw/zinc/81/43/22/630814322.db2.gz GFSWMXUBRYWRSF-UHFFFAOYSA-N 0 0 183.276 2.184 10 30 AEEERN C=CCCCCCNC(=O)CCF 912050602 630814526 /nfs/dbraw/zinc/81/45/26/630814526.db2.gz VQGJIONQMWSGJR-UHFFFAOYSA-N 0 0 187.258 2.209 10 30 AEEERN CCC/C(C)=C\C(=O)N(C)CCC#N 920214787 630814626 /nfs/dbraw/zinc/81/46/26/630814626.db2.gz BCOXMCCZCWRCCR-KTKRTIGZSA-N 0 0 194.278 2.105 10 30 AEEERN CCC/C(C)=C/C(=O)N(C)CCC#N 920214790 630815009 /nfs/dbraw/zinc/81/50/09/630815009.db2.gz BCOXMCCZCWRCCR-MDZDMXLPSA-N 0 0 194.278 2.105 10 30 AEEERN C=C(C)CCn1cc(C)sc1=O 920323841 630815288 /nfs/dbraw/zinc/81/52/88/630815288.db2.gz CGRBFTBPKYZHSR-UHFFFAOYSA-N 0 0 183.276 2.184 10 30 AEEERN CON=Cc1cc(C)c(OC)c(C)c1 920372148 630816534 /nfs/dbraw/zinc/81/65/34/630816534.db2.gz VOVYQVGZYXNGPJ-UHFFFAOYSA-N 0 0 193.246 2.292 10 30 AEEERN CON=Cc1c[nH]c2cccc(C)c12 920371156 630816577 /nfs/dbraw/zinc/81/65/77/630816577.db2.gz GCSBFKFTMCPAOT-UHFFFAOYSA-N 0 0 188.230 2.457 10 30 AEEERN CC#CCSCc1cnc(C)o1 912426768 630817066 /nfs/dbraw/zinc/81/70/66/630817066.db2.gz DSRWJRTZJWPNJT-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN C#CCCSCc1cnc(C)o1 912430004 630817555 /nfs/dbraw/zinc/81/75/55/630817555.db2.gz NAVNHSMFXLWIDA-UHFFFAOYSA-N 0 0 181.260 2.240 10 30 AEEERN C=CC[C@H]1CCCN(C(=O)CCF)C1 912387603 630817721 /nfs/dbraw/zinc/81/77/21/630817721.db2.gz GEPNMMIVJYSYMQ-JTQLQIEISA-N 0 0 199.269 2.161 10 30 AEEERN C=CC[C@@H]1CCCN(C(=O)CCF)C1 912387604 630818003 /nfs/dbraw/zinc/81/80/03/630818003.db2.gz GEPNMMIVJYSYMQ-SNVBAGLBSA-N 0 0 199.269 2.161 10 30 AEEERN C=CCCNC(=O)C1(C2CC2)CCC1 912379080 630818085 /nfs/dbraw/zinc/81/80/85/630818085.db2.gz NBNNDTJKQBKKCP-UHFFFAOYSA-N 0 0 193.290 2.259 10 30 AEEERN C[C@H](CC(=O)OCCCC#N)C1CC1 920726412 630818461 /nfs/dbraw/zinc/81/84/61/630818461.db2.gz GVUWLMGSLJHGMD-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCSCc1cnc(C)o1 912415846 630818622 /nfs/dbraw/zinc/81/86/22/630818622.db2.gz CNTBXXGTQMTGPI-UHFFFAOYSA-N 0 0 169.249 2.402 10 30 AEEERN C=CCCOCC(=O)OCC=C(C)C 920723062 630819442 /nfs/dbraw/zinc/81/94/42/630819442.db2.gz HNOPOALFNYIZFP-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN C=C1CN(C(=O)C2(CC)CCCC2)C1 912447101 630819649 /nfs/dbraw/zinc/81/96/49/630819649.db2.gz BGTSVGUKCOZPDL-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C[C@@H](CC(=O)OCCCC#N)C1CC1 920726414 630819766 /nfs/dbraw/zinc/81/97/66/630819766.db2.gz GVUWLMGSLJHGMD-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C=C1CN(C(=O)/C=C\C2CCCC2)C1 912445173 630820521 /nfs/dbraw/zinc/82/05/21/630820521.db2.gz GSQMLUDTWCHWIO-SREVYHEPSA-N 0 0 191.274 2.131 10 30 AEEERN C=C1CN(C(=O)/C=C/C2CCCC2)C1 912445189 630820815 /nfs/dbraw/zinc/82/08/15/630820815.db2.gz GSQMLUDTWCHWIO-VOTSOKGWSA-N 0 0 191.274 2.131 10 30 AEEERN C=CCC1(NC(=O)CCF)CCCC1 912523155 630821127 /nfs/dbraw/zinc/82/11/27/630821127.db2.gz PJILAQUEONRUER-UHFFFAOYSA-N 0 0 199.269 2.351 10 30 AEEERN C#CCN(CC#C)Cc1ccc(C)cc1 920760610 630822305 /nfs/dbraw/zinc/82/23/05/630822305.db2.gz YGESNMASCQYENW-UHFFFAOYSA-N 0 0 197.281 2.063 10 30 AEEERN C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCF 912706854 630823083 /nfs/dbraw/zinc/82/30/83/630823083.db2.gz BUGLHRBCYWGVLB-AOOOYVTPSA-N 0 0 197.253 2.056 10 30 AEEERN N#CCCCCOC(=O)c1ccco1 912957517 630823866 /nfs/dbraw/zinc/82/38/66/630823866.db2.gz BSWYPYLMLVGBAC-UHFFFAOYSA-N 0 0 193.202 2.130 10 30 AEEERN N#CCCCCOC(=O)c1ccoc1 912958666 630824006 /nfs/dbraw/zinc/82/40/06/630824006.db2.gz FWLROVGHBOWMBE-UHFFFAOYSA-N 0 0 193.202 2.130 10 30 AEEERN CCCCCCCNC(=O)CCF 912972228 630824260 /nfs/dbraw/zinc/82/42/60/630824260.db2.gz WLCGFVZOVLGRMU-UHFFFAOYSA-N 0 0 189.274 2.433 10 30 AEEERN C=CC(C)(C)CCNC(=O)CCF 912974940 630824625 /nfs/dbraw/zinc/82/46/25/630824625.db2.gz ZHORYPREHLQAOR-UHFFFAOYSA-N 0 0 187.258 2.065 10 30 AEEERN C=CCCC(C)(C)NC(=O)CCF 912728994 630824861 /nfs/dbraw/zinc/82/48/61/630824861.db2.gz RZIVIWLSUYEJPO-UHFFFAOYSA-N 0 0 187.258 2.207 10 30 AEEERN C=C(Cl)CNCc1cnccc1C 163999916 630831580 /nfs/dbraw/zinc/83/15/80/630831580.db2.gz AUPSFWMCSWHQDP-UHFFFAOYSA-N 0 0 196.681 2.232 10 30 AEEERN C/N=C(\OC)[C@@H]1C[C@@H]1c1ccccc1 222060092 630831835 /nfs/dbraw/zinc/83/18/35/630831835.db2.gz QJLJNPAUMZDPDX-RPYXHXOLSA-N 0 0 189.258 2.465 10 30 AEEERN N#Cc1ccc(-c2ccc(C=O)o2)cn1 238691452 630832715 /nfs/dbraw/zinc/83/27/15/630832715.db2.gz KNGVXBCJFFQRBP-UHFFFAOYSA-N 0 0 198.181 2.026 10 30 AEEERN C=CCN(CC=C)C(=O)OCC1CC1 242459748 630834997 /nfs/dbraw/zinc/83/49/97/630834997.db2.gz BQIJRAVJGHVFFS-UHFFFAOYSA-N 0 0 195.262 2.207 10 30 AEEERN C#CCSc1ccc(Cl)cn1 70615421 630835432 /nfs/dbraw/zinc/83/54/32/630835432.db2.gz AZLNKDQISZSZOM-UHFFFAOYSA-N 0 0 183.663 2.460 10 30 AEEERN CCCCCCCn1ccnn1 80858430 630837383 /nfs/dbraw/zinc/83/73/83/630837383.db2.gz FWMUYVCFRNGHFZ-UHFFFAOYSA-N 0 0 167.256 2.249 10 30 AEEERN C=CCNc1cncc2cccnc12 223140553 630837916 /nfs/dbraw/zinc/83/79/16/630837916.db2.gz QUCVRQGJJSXMLP-UHFFFAOYSA-N 0 0 185.230 2.228 10 30 AEEERN CCCON=C(C)Cc1ccccn1 842550288 630838935 /nfs/dbraw/zinc/83/89/35/630838935.db2.gz CRWCZBFEEDKNMS-UHFFFAOYSA-N 0 0 192.262 2.427 10 30 AEEERN C#CC(=O)Nc1ccccc1C(C)C 82266305 630840709 /nfs/dbraw/zinc/84/07/09/630840709.db2.gz DVQXEQPOADKIBK-UHFFFAOYSA-N 0 0 187.242 2.382 10 30 AEEERN C#CCCOc1ccc(F)c(F)c1 82494155 630842510 /nfs/dbraw/zinc/84/25/10/630842510.db2.gz DIHZPEOJKZJVJP-UHFFFAOYSA-N 0 0 182.169 2.367 10 30 AEEERN C#CCCNc1cccc(F)c1C#N 82496908 630842927 /nfs/dbraw/zinc/84/29/27/630842927.db2.gz AMKKMXYHOFVKPG-UHFFFAOYSA-N 0 0 188.205 2.133 10 30 AEEERN C#CCOC(=O)C=C1CCC(C)CC1 734202490 630848476 /nfs/dbraw/zinc/84/84/76/630848476.db2.gz GMOIHBFAZTWJQI-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN CC1CCC(C[NH2+]CCC#N)CC1 58864689 630850102 /nfs/dbraw/zinc/85/01/02/630850102.db2.gz IMWYCLDEYAHNFH-UHFFFAOYSA-N 0 0 180.295 2.316 10 30 AEEERN C(=NO[C@@H]1CCCCO1)c1ccoc1 755817429 630852307 /nfs/dbraw/zinc/85/23/07/630852307.db2.gz ZUFPXGKUGDXABJ-SNVBAGLBSA-N 0 0 195.218 2.157 10 30 AEEERN CSCOc1cccc(C#N)c1 168534939 630853761 /nfs/dbraw/zinc/85/37/61/630853761.db2.gz CEDABBKBTJRAGL-UHFFFAOYSA-N 0 0 179.244 2.258 10 30 AEEERN C(=NO[C@H]1CCCCO1)c1ccoc1 755817425 630853854 /nfs/dbraw/zinc/85/38/54/630853854.db2.gz ZUFPXGKUGDXABJ-JTQLQIEISA-N 0 0 195.218 2.157 10 30 AEEERN C=CCC[NH2+]Cc1cccc(F)c1[O-] 168556579 630854548 /nfs/dbraw/zinc/85/45/48/630854548.db2.gz OPZQURAILQBFMZ-UHFFFAOYSA-N 0 0 195.237 2.197 10 30 AEEERN CC(C)CC(=O)O[C@H](C#N)C(C)C 84448011 630857581 /nfs/dbraw/zinc/85/75/81/630857581.db2.gz VFPMZCKOLDDDDI-SECBINFHSA-N 0 0 183.251 2.124 10 30 AEEERN CC(C)CC(=O)O[C@@H](C#N)C(C)C 84448009 630857600 /nfs/dbraw/zinc/85/76/00/630857600.db2.gz VFPMZCKOLDDDDI-VIFPVBQESA-N 0 0 183.251 2.124 10 30 AEEERN COc1ccc(CS)c(C)c1 84907107 630858039 /nfs/dbraw/zinc/85/80/39/630858039.db2.gz SYXRZURGNRPQET-UHFFFAOYSA-N 0 0 168.261 2.433 10 30 AEEERN C=CCCOc1ccc(F)nc1 169203334 630859402 /nfs/dbraw/zinc/85/94/02/630859402.db2.gz AZNSFAUDCMJVQV-UHFFFAOYSA-N 0 0 167.183 2.176 10 30 AEEERN C=CCN(CC=C)C(=O)/C=C/C1CC1 253466571 630861031 /nfs/dbraw/zinc/86/10/31/630861031.db2.gz WWKZZKDEEHPAHQ-BQYQJAHWSA-N 0 0 191.274 2.153 10 30 AEEERN C#CCC1(NC(=O)OC)CCCCC1 922032003 630865936 /nfs/dbraw/zinc/86/59/36/630865936.db2.gz PPWKBSRHRJFUFP-UHFFFAOYSA-N 0 0 195.262 2.069 10 30 AEEERN C#CCC1(NC(=O)OCCC)CCC1 922045550 630866291 /nfs/dbraw/zinc/86/62/91/630866291.db2.gz FEWSNTHCJXTTLH-UHFFFAOYSA-N 0 0 195.262 2.069 10 30 AEEERN C#CCC1(NC(=O)CC)CCCCC1 922028732 630866751 /nfs/dbraw/zinc/86/67/51/630866751.db2.gz KWNHKGLNILXVII-UHFFFAOYSA-N 0 0 193.290 2.239 10 30 AEEERN CON=CCCc1ccccc1 256186986 630869012 /nfs/dbraw/zinc/86/90/12/630869012.db2.gz BGODCHQCEPMQOX-UHFFFAOYSA-N 0 0 163.220 2.251 10 30 AEEERN C[C@@H](CF)NCc1csc(C#N)c1 922145580 630869150 /nfs/dbraw/zinc/86/91/50/630869150.db2.gz ZBFMHLKAEGILFO-ZETCQYMHSA-N 0 0 198.266 2.067 10 30 AEEERN C#C[C@@H](CC)Nc1cc(C#N)cc(C)n1 229993555 630873639 /nfs/dbraw/zinc/87/36/39/630873639.db2.gz QYTPTGBCYYBNRR-NSHDSACASA-N 0 0 199.257 2.085 10 30 AEEERN C#C[C@H](CC)Nc1cc(C#N)cc(C)n1 229993561 630875141 /nfs/dbraw/zinc/87/51/41/630875141.db2.gz QYTPTGBCYYBNRR-LLVKDONJSA-N 0 0 199.257 2.085 10 30 AEEERN CC[C@@H]1C[C@H]1COC(=O)[C@H](C)CC#N 922853082 630876371 /nfs/dbraw/zinc/87/63/71/630876371.db2.gz BOFNJHUIBMUHAZ-BBBLOLIVSA-N 0 0 195.262 2.125 10 30 AEEERN CC[C@@H]1C[C@H]1COC(=O)[C@@H](C)CC#N 922853081 630876953 /nfs/dbraw/zinc/87/69/53/630876953.db2.gz BOFNJHUIBMUHAZ-AEJSXWLSSA-N 0 0 195.262 2.125 10 30 AEEERN C=C[C@H](CC)OC(=O)/C(C)=C/C 230623882 630880558 /nfs/dbraw/zinc/88/05/58/630880558.db2.gz UWGVSAKBYRWWRI-WHXYTISESA-N 0 0 168.236 2.460 10 30 AEEERN C=C[C@@H](CC)OC(=O)/C(C)=C/C 230623888 630880565 /nfs/dbraw/zinc/88/05/65/630880565.db2.gz UWGVSAKBYRWWRI-QRJSTWQJSA-N 0 0 168.236 2.460 10 30 AEEERN C=CCCCOC(=O)/C(C)=C/C 230625283 630881033 /nfs/dbraw/zinc/88/10/33/630881033.db2.gz BECSTUASVFEUNB-WEVVVXLNSA-N 0 0 168.236 2.462 10 30 AEEERN C=CC(C)(C)CCNC(=O)/C=C\C 701921950 630886158 /nfs/dbraw/zinc/88/61/58/630886158.db2.gz YBXIYZIPQSYPBB-ALCCZGGFSA-N 0 0 181.279 2.281 10 30 AEEERN C=CC(C)(C)CCNC(=O)/C=C/C 701921951 630887300 /nfs/dbraw/zinc/88/73/00/630887300.db2.gz YBXIYZIPQSYPBB-FNORWQNLSA-N 0 0 181.279 2.281 10 30 AEEERN CC[C@H](CC#N)NCc1ccoc1 63047515 630888239 /nfs/dbraw/zinc/88/82/39/630888239.db2.gz HIEUFZBGYLKSSZ-SNVBAGLBSA-N 0 0 178.235 2.061 10 30 AEEERN CC[C@@H](CC#N)NCc1ccoc1 63047514 630889064 /nfs/dbraw/zinc/88/90/64/630889064.db2.gz HIEUFZBGYLKSSZ-JTQLQIEISA-N 0 0 178.235 2.061 10 30 AEEERN N#CCOC(=O)[C@H]1CCC=CCCC1 923030862 630890011 /nfs/dbraw/zinc/89/00/11/630890011.db2.gz NCOXZAWVUPLIBK-JTQLQIEISA-N 0 0 193.246 2.190 10 30 AEEERN C#CCOC(=O)[C@H]1CCC=CCCC1 923029348 630890437 /nfs/dbraw/zinc/89/04/37/630890437.db2.gz BLXMXNRUBOTWRA-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN N#CCOC(=O)[C@@H]1CCC=CCCC1 923030869 630891637 /nfs/dbraw/zinc/89/16/37/630891637.db2.gz NCOXZAWVUPLIBK-SNVBAGLBSA-N 0 0 193.246 2.190 10 30 AEEERN C#CCOC(=O)[C@@H]1CCC=CCCC1 923029347 630891957 /nfs/dbraw/zinc/89/19/57/630891957.db2.gz BLXMXNRUBOTWRA-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)C1(C2CC2)CCC1 923337359 630892724 /nfs/dbraw/zinc/89/27/24/630892724.db2.gz LFPHULFCBOWCLA-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN CC#CCOC(=O)C1(C2CC2)CCC1 923338411 630892929 /nfs/dbraw/zinc/89/29/29/630892929.db2.gz XXLFYTZBTPJEGS-UHFFFAOYSA-N 0 0 192.258 2.133 10 30 AEEERN C=CCOC(=O)C1(C2CC2)CCC1 923334100 630894338 /nfs/dbraw/zinc/89/43/38/630894338.db2.gz BGZJEDZHZDUOAF-UHFFFAOYSA-N 0 0 180.247 2.296 10 30 AEEERN C#CCCCSC[C@@H]1CCCO1 231635279 630904797 /nfs/dbraw/zinc/90/47/97/630904797.db2.gz BCXIPKHTJAPIBB-JTQLQIEISA-N 0 0 184.304 2.312 10 30 AEEERN C=C(C)COC(=O)[C@]1(C)CCCCO1 838435312 630906224 /nfs/dbraw/zinc/90/62/24/630906224.db2.gz BWPHITXUVRKWFZ-NSHDSACASA-N 0 0 198.262 2.065 10 30 AEEERN CCC/C=C\C(=O)N(CC)CCC#N 749304109 630906557 /nfs/dbraw/zinc/90/65/57/630906557.db2.gz DJCALDGPSKOMGP-VURMDHGXSA-N 0 0 194.278 2.105 10 30 AEEERN CCC/C=C/C(=O)N(CC)CCC#N 749304106 630907516 /nfs/dbraw/zinc/90/75/16/630907516.db2.gz DJCALDGPSKOMGP-SOFGYWHQSA-N 0 0 194.278 2.105 10 30 AEEERN CC[C@@H](C#N)OC(=O)c1ccc(C)o1 753415557 630907917 /nfs/dbraw/zinc/90/79/17/630907917.db2.gz HCJPKXZBZHEIQJ-QMMMGPOBSA-N 0 0 193.202 2.047 10 30 AEEERN CC[C@H](C#N)OC(=O)/C=C/C(C)(C)C 753434192 630908198 /nfs/dbraw/zinc/90/81/98/630908198.db2.gz UTXKZSQNSWIBJZ-XCODYQFDSA-N 0 0 195.262 2.434 10 30 AEEERN CC[C@@H](C#N)OC(=O)C[C@H]1C=CCC1 753423978 630908212 /nfs/dbraw/zinc/90/82/12/630908212.db2.gz OLLVUGWTMYNNNJ-UWVGGRQHSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@@H](C#N)OC(=O)CC1CCCC1 753421614 630908235 /nfs/dbraw/zinc/90/82/35/630908235.db2.gz HFYPYRWWYXIZGP-JTQLQIEISA-N 0 0 195.262 2.412 10 30 AEEERN CC[C@H](C#N)OC(=O)/C=C\C(C)(C)C 753434181 630908246 /nfs/dbraw/zinc/90/82/46/630908246.db2.gz UTXKZSQNSWIBJZ-ATJFRQLMSA-N 0 0 195.262 2.434 10 30 AEEERN C=C(C)COC(=O)c1ccc(C)cn1 753478743 630908300 /nfs/dbraw/zinc/90/83/00/630908300.db2.gz BNROWMYDGLITQP-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN CC[C@H](C#N)OC(=O)c1ccc(C)o1 753415551 630908302 /nfs/dbraw/zinc/90/83/02/630908302.db2.gz HCJPKXZBZHEIQJ-MRVPVSSYSA-N 0 0 193.202 2.047 10 30 AEEERN CC[C@@H](C#N)OC(=O)C[C@@H]1C=CCC1 753423980 630908313 /nfs/dbraw/zinc/90/83/13/630908313.db2.gz OLLVUGWTMYNNNJ-ZJUUUORDSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](C#N)OC(=O)C[C@@H]1C=CCC1 753423977 630908334 /nfs/dbraw/zinc/90/83/34/630908334.db2.gz OLLVUGWTMYNNNJ-NXEZZACHSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@@H](C#N)OC(=O)/C=C\C(C)(C)C 753434189 630908354 /nfs/dbraw/zinc/90/83/54/630908354.db2.gz UTXKZSQNSWIBJZ-NMTCXDENSA-N 0 0 195.262 2.434 10 30 AEEERN CC[C@@H](C#N)OC(=O)/C=C/C(C)(C)C 753434190 630908383 /nfs/dbraw/zinc/90/83/83/630908383.db2.gz UTXKZSQNSWIBJZ-UCUJLANTSA-N 0 0 195.262 2.434 10 30 AEEERN CC[C@H](C#N)OC(=O)C[C@H]1C=CCC1 753423979 630908480 /nfs/dbraw/zinc/90/84/80/630908480.db2.gz OLLVUGWTMYNNNJ-VHSXEESVSA-N 0 0 193.246 2.188 10 30 AEEERN CC[C@H](C#N)OC(=O)CC1CCCC1 753421615 630908514 /nfs/dbraw/zinc/90/85/14/630908514.db2.gz HFYPYRWWYXIZGP-SNVBAGLBSA-N 0 0 195.262 2.412 10 30 AEEERN C=CCCOC(=O)c1ccc(C)cn1 753479659 630908549 /nfs/dbraw/zinc/90/85/49/630908549.db2.gz HFJKHVWFDQSPMN-UHFFFAOYSA-N 0 0 191.230 2.123 10 30 AEEERN CC(C)CON=CC1(C)CCOCC1 758130059 630909646 /nfs/dbraw/zinc/90/96/46/630909646.db2.gz USXWVJAQHNZKMX-UHFFFAOYSA-N 0 0 199.294 2.462 10 30 AEEERN C#CCCON=Cc1cccc(F)c1 760347541 630910013 /nfs/dbraw/zinc/91/00/13/630910013.db2.gz FFTGTFQGPMHIBX-UHFFFAOYSA-N 0 0 191.205 2.200 10 30 AEEERN C#CCCNC(=O)c1ccc(C=C)cc1 760338251 630910074 /nfs/dbraw/zinc/91/00/74/630910074.db2.gz OCIRBPJIHPLJGK-UHFFFAOYSA-N 0 0 199.253 2.083 10 30 AEEERN CON=C/C=C\c1ccccc1OC 767477829 630913419 /nfs/dbraw/zinc/91/34/19/630913419.db2.gz JIKRSQDRRMHTTF-NGJPSQAVSA-N 0 0 191.230 2.341 10 30 AEEERN CCON=C1CCOc2ccccc21 767460465 630913500 /nfs/dbraw/zinc/91/35/00/630913500.db2.gz BRKQJWASNDONGJ-UHFFFAOYSA-N 0 0 191.230 2.210 10 30 AEEERN CCON=C(C)c1ccc(OC)cc1 767461459 630913705 /nfs/dbraw/zinc/91/37/05/630913705.db2.gz ASWFCXFYZJVCGC-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN CCON=C(C)c1ccc(C#N)cc1 767461485 630913738 /nfs/dbraw/zinc/91/37/38/630913738.db2.gz BDZLAKCMMUVCTA-UHFFFAOYSA-N 0 0 188.230 2.319 10 30 AEEERN CON=C/C=C/c1ccccc1OC 767477828 630913746 /nfs/dbraw/zinc/91/37/46/630913746.db2.gz JIKRSQDRRMHTTF-MTYDQLJLSA-N 0 0 191.230 2.341 10 30 AEEERN C=CCOc1ccc(C=NOC)cc1 767477855 630913759 /nfs/dbraw/zinc/91/37/59/630913759.db2.gz KXJBTHQIAWKUNG-UHFFFAOYSA-N 0 0 191.230 2.232 10 30 AEEERN CCON=C(C)c1ccccc1OC 767462163 630913817 /nfs/dbraw/zinc/91/38/17/630913817.db2.gz GKVJSRSMSLRFHL-UHFFFAOYSA-N 0 0 193.246 2.456 10 30 AEEERN C[C@H]1CC[C@H](C(=O)OC(C)(C)C#N)C1 779226396 630916654 /nfs/dbraw/zinc/91/66/54/630916654.db2.gz PLUSBHRGBQABIB-IUCAKERBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](CC(=O)OC(C)(C)C#N)C1CC1 779226642 630916671 /nfs/dbraw/zinc/91/66/71/630916671.db2.gz ZJXZGMMKVBZSIZ-MRVPVSSYSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C#N)C1 779226397 630916717 /nfs/dbraw/zinc/91/67/17/630916717.db2.gz PLUSBHRGBQABIB-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C#N)C1 779226395 630916683 /nfs/dbraw/zinc/91/66/83/630916683.db2.gz PLUSBHRGBQABIB-DTWKUNHWSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)(C#N)OC(=O)C=C1CCCC1 779226599 630916693 /nfs/dbraw/zinc/91/66/93/630916693.db2.gz ZEEPMPPKQDJCNH-UHFFFAOYSA-N 0 0 193.246 2.332 10 30 AEEERN C[C@@H](CC(=O)OC(C)(C)C#N)C1CC1 779226644 630916722 /nfs/dbraw/zinc/91/67/22/630916722.db2.gz ZJXZGMMKVBZSIZ-QMMMGPOBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C#N)C1 779226394 630916755 /nfs/dbraw/zinc/91/67/55/630916755.db2.gz PLUSBHRGBQABIB-BDAKNGLRSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](CC#N)NN=C1CCC(C)(C)C1 783857181 630917837 /nfs/dbraw/zinc/91/78/37/630917837.db2.gz WEPMZGILXOMNQJ-SECBINFHSA-N 0 0 193.294 2.444 10 30 AEEERN C[C@@H](CC#N)NN=C1CCC(C)(C)C1 783857182 630917870 /nfs/dbraw/zinc/91/78/70/630917870.db2.gz WEPMZGILXOMNQJ-VIFPVBQESA-N 0 0 193.294 2.444 10 30 AEEERN CCCCCON=C(N)c1ccco1 789623469 630918902 /nfs/dbraw/zinc/91/89/02/630918902.db2.gz UINJVMSLTCAEKJ-UHFFFAOYSA-N 0 0 196.250 2.107 10 30 AEEERN C[C@@H](C#N)COC(=O)C(C)(C)C1CC1 805899331 630919568 /nfs/dbraw/zinc/91/95/68/630919568.db2.gz QWFVDYDMTXJDJD-QMMMGPOBSA-N 0 0 195.262 2.125 10 30 AEEERN C[C@H](C#N)COC(=O)C(C)(C)C1CC1 805899330 630920924 /nfs/dbraw/zinc/92/09/24/630920924.db2.gz QWFVDYDMTXJDJD-MRVPVSSYSA-N 0 0 195.262 2.125 10 30 AEEERN C=CCCCNC(=O)N1CCC1(C)C 790876596 630922793 /nfs/dbraw/zinc/92/27/93/630922793.db2.gz IOGGVDKZYISKDE-UHFFFAOYSA-N 0 0 196.294 2.147 10 30 AEEERN C#CCC(C)(C)C(=O)N1[C@H](C)C[C@H]1C 792533244 630923398 /nfs/dbraw/zinc/92/33/98/630923398.db2.gz JJCLQQXTPGKRGE-NXEZZACHSA-N 0 0 193.290 2.045 10 30 AEEERN C#CCCCCC(=O)N1[C@@H](C)C[C@H]1C 792534503 630923624 /nfs/dbraw/zinc/92/36/24/630923624.db2.gz RPYLUCYTWYEQTN-PHIMTYICSA-N 0 0 193.290 2.189 10 30 AEEERN C#CCCCCC(=O)N1[C@@H](C)C[C@@H]1C 792534504 630923744 /nfs/dbraw/zinc/92/37/44/630923744.db2.gz RPYLUCYTWYEQTN-QWRGUYRKSA-N 0 0 193.290 2.189 10 30 AEEERN C#CCC(C)(C)C(=O)N1[C@@H](C)C[C@H]1C 792533243 630923897 /nfs/dbraw/zinc/92/38/97/630923897.db2.gz JJCLQQXTPGKRGE-AOOOYVTPSA-N 0 0 193.290 2.045 10 30 AEEERN Cc1nc(C)c(C=NOCC(C)C)o1 793035710 630923942 /nfs/dbraw/zinc/92/39/42/630923942.db2.gz ZPKQZUHJMRMIEC-UHFFFAOYSA-N 0 0 196.250 2.298 10 30 AEEERN CC(C)CN(CCC#N)CC1(F)CC1 792764323 630924104 /nfs/dbraw/zinc/92/41/04/630924104.db2.gz BNTKICBIJGZWTE-UHFFFAOYSA-N 0 0 198.285 2.360 10 30 AEEERN C=CCOC(=O)C1(OCC)CCCC1 792816286 630924987 /nfs/dbraw/zinc/92/49/87/630924987.db2.gz HCRHXTORJNWWTN-UHFFFAOYSA-N 0 0 198.262 2.065 10 30 AEEERN C#CCCCCC(=O)N1[C@H](C)C[C@H]1C 792534502 630925011 /nfs/dbraw/zinc/92/50/11/630925011.db2.gz RPYLUCYTWYEQTN-GHMZBOCLSA-N 0 0 193.290 2.189 10 30 AEEERN C#CCC(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C 792533245 630925096 /nfs/dbraw/zinc/92/50/96/630925096.db2.gz JJCLQQXTPGKRGE-UWVGGRQHSA-N 0 0 193.290 2.045 10 30 AEEERN CCCCNN=Cc1oc(C)nc1C 792972265 630925365 /nfs/dbraw/zinc/92/53/65/630925365.db2.gz HEYQAROQYROHPM-UHFFFAOYSA-N 0 0 195.266 2.015 10 30 AEEERN C=C[C@H](C)OC(=O)c1ccnc(C)c1 793276261 630925887 /nfs/dbraw/zinc/92/58/87/630925887.db2.gz MOUVRTMYOHJERJ-VIFPVBQESA-N 0 0 191.230 2.121 10 30 AEEERN C=C[C@@H](C)OC(=O)c1ccnc(C)c1 793276260 630926843 /nfs/dbraw/zinc/92/68/43/630926843.db2.gz MOUVRTMYOHJERJ-SECBINFHSA-N 0 0 191.230 2.121 10 30 AEEERN CC[C@@H](C)NN=Cc1cnccc1C 794533860 630927330 /nfs/dbraw/zinc/92/73/30/630927330.db2.gz COHVVNZYDCYMRV-SNVBAGLBSA-N 0 0 191.278 2.112 10 30 AEEERN Fc1cc(N=NCC2(F)CC2)ccn1 794529266 630927535 /nfs/dbraw/zinc/92/75/35/630927535.db2.gz BIUWVAYMXPVSFE-UHFFFAOYSA-N 0 0 197.188 2.121 10 30 AEEERN COCCCON=C1CC2(CCC2)C1 795050379 630927543 /nfs/dbraw/zinc/92/75/43/630927543.db2.gz BJCWRCNFRBURTQ-UHFFFAOYSA-N 0 0 197.278 2.360 10 30 AEEERN CC[C@@H](C)NN=C1CCC[C@H](OC)C1 794535314 630927814 /nfs/dbraw/zinc/92/78/14/630927814.db2.gz NFRDYQBSAGUUKG-KOLCDFICSA-N 0 0 198.310 2.320 10 30 AEEERN C=C(C)CCONC(=O)C1CCCC1 795210459 630927833 /nfs/dbraw/zinc/92/78/33/630927833.db2.gz SAVOVDIKKKZAGY-UHFFFAOYSA-N 0 0 197.278 2.191 10 30 AEEERN C=CCOCCCOC(=O)C=C(C)C 795337690 630928059 /nfs/dbraw/zinc/92/80/59/630928059.db2.gz HSBYNYRXWXWUBS-UHFFFAOYSA-N 0 0 198.262 2.089 10 30 AEEERN Cc1cccnc1N=NCC1(F)CC1 794535897 630928393 /nfs/dbraw/zinc/92/83/93/630928393.db2.gz QWVKLLWMDQZQGC-UHFFFAOYSA-N 0 0 193.225 2.290 10 30 AEEERN CC[C@@H](C)NN=C1CCC[C@@H](OC)C1 794535317 630928498 /nfs/dbraw/zinc/92/84/98/630928498.db2.gz NFRDYQBSAGUUKG-MWLCHTKSSA-N 0 0 198.310 2.320 10 30 AEEERN COCCCON=C[C@H]1CC[C@@H](C)C1 795041668 630928614 /nfs/dbraw/zinc/92/86/14/630928614.db2.gz FPOABGYGRBZUKQ-MNOVXSKESA-N 0 0 199.294 2.462 10 30 AEEERN CO[C@@H]1CCCC(N=NCC(C)C)C1 794526747 630928624 /nfs/dbraw/zinc/92/86/24/630928624.db2.gz VGVJSLWETUDALM-LLVKDONJSA-N 0 0 198.310 2.177 10 30 AEEERN CC[C@H](C)NN=C1CCC[C@@H](OC)C1 794535312 630929077 /nfs/dbraw/zinc/92/90/77/630929077.db2.gz NFRDYQBSAGUUKG-GXSJLCMTSA-N 0 0 198.310 2.320 10 30 AEEERN Cc1ccncc1C=NOCC(C)C 794523301 630929134 /nfs/dbraw/zinc/92/91/34/630929134.db2.gz LCKXBGIIJMGSJR-UHFFFAOYSA-N 0 0 192.262 2.397 10 30 AEEERN CC[C@H](C)N=NC1CCC[C@H](OC)C1 794535318 630929166 /nfs/dbraw/zinc/92/91/66/630929166.db2.gz NFRDYQBSAGUUKG-ONGXEEELSA-N 0 0 198.310 2.320 10 30 AEEERN CC[C@H](C)NN=Cc1cnccc1C 794533859 630929258 /nfs/dbraw/zinc/92/92/58/630929258.db2.gz COHVVNZYDCYMRV-JTQLQIEISA-N 0 0 191.278 2.112 10 30 AEEERN Fc1cccc(N=NCC2(F)CC2)n1 795005534 630929274 /nfs/dbraw/zinc/92/92/74/630929274.db2.gz ALJHUJPGDQQIMG-UHFFFAOYSA-N 0 0 197.188 2.121 10 30 AEEERN COCCCNN=C1CCCCCC1 794539427 630929301 /nfs/dbraw/zinc/92/93/01/630929301.db2.gz GLJWKKICDYTYEX-UHFFFAOYSA-N 0 0 198.310 2.323 10 30 AEEERN CO[C@H]1CCCC(N=NCC(C)C)C1 794526748 630929306 /nfs/dbraw/zinc/92/93/06/630929306.db2.gz VGVJSLWETUDALM-NSHDSACASA-N 0 0 198.310 2.177 10 30 AEEERN COCCCON=C(C(C)C)C1CC1 795050484 630929310 /nfs/dbraw/zinc/92/93/10/630929310.db2.gz DMFFAFFLZCQBNJ-UHFFFAOYSA-N 0 0 199.294 2.462 10 30 AEEERN COCCCON=C[C@@H]1CC[C@@H](C)C1 795041667 630929322 /nfs/dbraw/zinc/92/93/22/630929322.db2.gz FPOABGYGRBZUKQ-GHMZBOCLSA-N 0 0 199.294 2.462 10 30 AEEERN COCCCON=C(C)c1ccco1 795053076 630929330 /nfs/dbraw/zinc/92/93/30/630929330.db2.gz HVUUJFABJQMEKY-UHFFFAOYSA-N 0 0 197.234 2.057 10 30 AEEERN COCCCON=C[C@H]1CC[C@H](C)C1 795041669 630929349 /nfs/dbraw/zinc/92/93/49/630929349.db2.gz FPOABGYGRBZUKQ-QWRGUYRKSA-N 0 0 199.294 2.462 10 30 AEEERN COCCCON=C[C@@H]1CC[C@H](C)C1 795041670 630929435 /nfs/dbraw/zinc/92/94/35/630929435.db2.gz FPOABGYGRBZUKQ-WDEREUQCSA-N 0 0 199.294 2.462 10 30 AEEERN CCOCCON=C(C)[C@H]1CC1(C)C 814907476 630937386 /nfs/dbraw/zinc/93/73/86/630937386.db2.gz LFMQDZDCCBJODZ-SNVBAGLBSA-N 0 0 199.294 2.462 10 30 AEEERN CC(C)OCCON=Cc1ccoc1 812239096 630934283 /nfs/dbraw/zinc/93/42/83/630934283.db2.gz NCMLLSMOWSAKJO-UHFFFAOYSA-N 0 0 197.234 2.055 10 30 AEEERN CC(C)OCCON=C1C[C@H](C)[C@@H]1C 814936581 630935349 /nfs/dbraw/zinc/93/53/49/630935349.db2.gz AQXKNVPXDQVLNW-UWVGGRQHSA-N 0 0 199.294 2.460 10 30 AEEERN C[C@@H]1CC(=NOC[C@@H]2CCOC2)[C@@H]1C 814912446 630935973 /nfs/dbraw/zinc/93/59/73/630935973.db2.gz SXZFKIBCXWZPRI-OPRDCNLKSA-N 0 0 197.278 2.071 10 30 AEEERN C[C@H]1CC(=NOC2CCOCC2)[C@H]1C 814906489 630936108 /nfs/dbraw/zinc/93/61/08/630936108.db2.gz XEEZRSNZNJQDKI-IUCAKERBSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1CC(=NOC2CCOCC2)[C@@H]1C 814906490 630936178 /nfs/dbraw/zinc/93/61/78/630936178.db2.gz XEEZRSNZNJQDKI-RKDXNWHRSA-N 0 0 197.278 2.214 10 30 AEEERN COC[C@@H](C)NN=C(C)[C@@H]1CC1(C)C 814895748 630936182 /nfs/dbraw/zinc/93/61/82/630936182.db2.gz UFRJOYIPBPTQDQ-SCZZXKLOSA-N 0 0 198.310 2.033 10 30 AEEERN CC(C)OCCON=C1C[C@H](C)[C@H]1C 814936582 630936215 /nfs/dbraw/zinc/93/62/15/630936215.db2.gz AQXKNVPXDQVLNW-VHSXEESVSA-N 0 0 199.294 2.460 10 30 AEEERN CC(C)(C)CCNN=Cc1cocn1 814901590 630936281 /nfs/dbraw/zinc/93/62/81/630936281.db2.gz SAWLQSCATQPLJE-UHFFFAOYSA-N 0 0 195.266 2.034 10 30 AEEERN C[C@@H]1CCC(=NOC2CCOCC2)C1 814907292 630936297 /nfs/dbraw/zinc/93/62/97/630936297.db2.gz CEZDQZWYRYVUEM-SECBINFHSA-N 0 0 197.278 2.358 10 30 AEEERN CC(C)CCC=NOC[C@H]1CCOC1 814911622 630936312 /nfs/dbraw/zinc/93/63/12/630936312.db2.gz ANIVDSHYMNGAKX-NSHDSACASA-N 0 0 199.294 2.462 10 30 AEEERN C[C@@H]1C(=NOC2CCOCC2)C[C@H]1C 814906487 630936339 /nfs/dbraw/zinc/93/63/39/630936339.db2.gz XEEZRSNZNJQDKI-BDAKNGLRSA-N 0 0 197.278 2.214 10 30 AEEERN C[C@@H]1C(=NOC[C@@H]2CCOC2)C[C@H]1C 814912445 630936346 /nfs/dbraw/zinc/93/63/46/630936346.db2.gz SXZFKIBCXWZPRI-KXUCPTDWSA-N 0 0 197.278 2.071 10 30 AEEERN C=CCOCC(=O)OC/C=C/CCC 813909278 630936436 /nfs/dbraw/zinc/93/64/36/630936436.db2.gz MPQMNQPATFSZFV-VOTSOKGWSA-N 0 0 198.262 2.089 10 30 AEEERN COC[C@@H](C)NN=C(C)[C@H]1CC1(C)C 814895747 630936812 /nfs/dbraw/zinc/93/68/12/630936812.db2.gz UFRJOYIPBPTQDQ-PSASIEDQSA-N 0 0 198.310 2.033 10 30 AEEERN CCOCCON=C(C)[C@@H]1CC1(C)C 814907475 630936870 /nfs/dbraw/zinc/93/68/70/630936870.db2.gz LFMQDZDCCBJODZ-JTQLQIEISA-N 0 0 199.294 2.462 10 30 AEEERN C[C@H]1CC(=NOC2CCOCC2)[C@@H]1C 814906488 630936970 /nfs/dbraw/zinc/93/69/70/630936970.db2.gz XEEZRSNZNJQDKI-DTWKUNHWSA-N 0 0 197.278 2.214 10 30 AEEERN C=CCOCC(=O)OC/C=C\CCC 813909277 630937079 /nfs/dbraw/zinc/93/70/79/630937079.db2.gz MPQMNQPATFSZFV-SREVYHEPSA-N 0 0 198.262 2.089 10 30 AEEERN C[C@@H]1C(=NOC[C@H]2CCOC2)C[C@H]1C 814912447 630937117 /nfs/dbraw/zinc/93/71/17/630937117.db2.gz SXZFKIBCXWZPRI-UTLUCORTSA-N 0 0 197.278 2.071 10 30 AEEERN CCOCCON=C1CC(C(C)C)C1 814907591 630937122 /nfs/dbraw/zinc/93/71/22/630937122.db2.gz PVBFICQOYSUMRO-UHFFFAOYSA-N 0 0 199.294 2.462 10 30 AEEERN CC(C)OCCON=C1C[C@@H](C)[C@H]1C 814936580 630937144 /nfs/dbraw/zinc/93/71/44/630937144.db2.gz AQXKNVPXDQVLNW-NXEZZACHSA-N 0 0 199.294 2.460 10 30 AEEERN C(=NOC1CCCCC1)c1cocn1 814909337 630937189 /nfs/dbraw/zinc/93/71/89/630937189.db2.gz HRARTMJSJYDOFX-UHFFFAOYSA-N 0 0 194.234 2.358 10 30 AEEERN COC1(CC(C)=NNC2CC2)CCC1 814903287 630937243 /nfs/dbraw/zinc/93/72/43/630937243.db2.gz BNAPDBXWFQLIFE-UHFFFAOYSA-N 0 0 196.294 2.074 10 30 AEEERN CC(C)CCC=NOC[C@@H]1CCOC1 814911616 630937366 /nfs/dbraw/zinc/93/73/66/630937366.db2.gz ANIVDSHYMNGAKX-LLVKDONJSA-N 0 0 199.294 2.462 10 30 AEEERN Cc1nocc1C=NOC1CCCC1 814894430 630937400 /nfs/dbraw/zinc/93/74/00/630937400.db2.gz MKRKKTUEFZBYOO-UHFFFAOYSA-N 0 0 194.234 2.276 10 30 AEEERN C[C@@H]1CC(=NOC[C@H]2CCOC2)[C@@H]1C 814912444 630937488 /nfs/dbraw/zinc/93/74/88/630937488.db2.gz SXZFKIBCXWZPRI-BBBLOLIVSA-N 0 0 197.278 2.071 10 30 AEEERN COC[C@H](C)NN=C(C)[C@H]1CC1(C)C 814895749 630937560 /nfs/dbraw/zinc/93/75/60/630937560.db2.gz UFRJOYIPBPTQDQ-WCBMZHEXSA-N 0 0 198.310 2.033 10 30 AEEERN CC(C)OCCON=C1C[C@@H](C)[C@@H]1C 814936583 630937608 /nfs/dbraw/zinc/93/76/08/630937608.db2.gz AQXKNVPXDQVLNW-ZJUUUORDSA-N 0 0 199.294 2.460 10 30 AEEERN CCC(CC)CNN=Cc1cocn1 814906277 630937615 /nfs/dbraw/zinc/93/76/15/630937615.db2.gz MZXBWSSBQNNMKI-UHFFFAOYSA-N 0 0 195.266 2.034 10 30 AEEERN C=CCCOC(=O)C1(C(F)F)CC1 830019780 630946998 /nfs/dbraw/zinc/94/69/98/630946998.db2.gz VJGMSBASCWLOIP-UHFFFAOYSA-N 0 0 190.189 2.151 10 30 AEEERN C=C(C)COC(=O)C1(C(F)F)CC1 829999171 630947344 /nfs/dbraw/zinc/94/73/44/630947344.db2.gz XTKRYRXOVKTXCL-UHFFFAOYSA-N 0 0 190.189 2.151 10 30 AEEERN C=CCNc1nnc(CCC(C)C)o1 849158485 630962081 /nfs/dbraw/zinc/96/20/81/630962081.db2.gz GBXHUJCOXAGSEL-UHFFFAOYSA-N 0 0 195.266 2.256 10 30 AEEERN C#CCNc1cc(C)c(C)cc1OC 849317831 630963818 /nfs/dbraw/zinc/96/38/18/630963818.db2.gz AKFDLWBUFZCELB-UHFFFAOYSA-N 0 0 189.258 2.357 10 30 AEEERN CC(C)=CCOC(=O)[C@H](C)CC#N 849853199 630966092 /nfs/dbraw/zinc/96/60/92/630966092.db2.gz VZOMDRQDQBVOBQ-SECBINFHSA-N 0 0 181.235 2.046 10 30 AEEERN C[C@H](CC#N)C(=O)OCCC1CCC1 849851169 630966489 /nfs/dbraw/zinc/96/64/89/630966489.db2.gz URIKEJXLLXOXBI-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CC(C)=CCOC(=O)[C@@H](C)CC#N 849853200 630967180 /nfs/dbraw/zinc/96/71/80/630967180.db2.gz VZOMDRQDQBVOBQ-VIFPVBQESA-N 0 0 181.235 2.046 10 30 AEEERN CC[C@@H](C#N)OC(=O)[C@H]1CCC1(C)C 850072013 630970997 /nfs/dbraw/zinc/97/09/97/630970997.db2.gz ZHCSMQKQOVGMDS-DTWKUNHWSA-N 0 0 195.262 2.268 10 30 AEEERN CC(C)=CCCOC(=O)C#CC1CC1 849801766 630968811 /nfs/dbraw/zinc/96/88/11/630968811.db2.gz CDRQDWBXGHHZGK-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN CC1=CC[C@](C)(C(=O)OCC#N)CC1 850096066 630969345 /nfs/dbraw/zinc/96/93/45/630969345.db2.gz PBGIMRZVYSDYSU-NSHDSACASA-N 0 0 193.246 2.190 10 30 AEEERN CC1(C)CC[C@@H]1C(=O)OCCCC#N 850070195 630969662 /nfs/dbraw/zinc/96/96/62/630969662.db2.gz PWVSLQMKWXJECY-SECBINFHSA-N 0 0 195.262 2.270 10 30 AEEERN CC#CCCOC(=O)[C@@H]1CCC1(C)C 850071366 630969816 /nfs/dbraw/zinc/96/98/16/630969816.db2.gz PZKCWGLJDMSBAF-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN CC[C@H](C#N)OC(=O)[C@@H]1CCC1(C)C 850072012 630970162 /nfs/dbraw/zinc/97/01/62/630970162.db2.gz ZHCSMQKQOVGMDS-BDAKNGLRSA-N 0 0 195.262 2.268 10 30 AEEERN C#CCCCOC(=O)[C@@H]1CCC1(C)C 850070088 630970221 /nfs/dbraw/zinc/97/02/21/630970221.db2.gz HFCZEWXDJIFYIB-JTQLQIEISA-N 0 0 194.274 2.379 10 30 AEEERN CC1=CC[C@@](C)(C(=O)OCC#N)CC1 850096065 630970234 /nfs/dbraw/zinc/97/02/34/630970234.db2.gz PBGIMRZVYSDYSU-LLVKDONJSA-N 0 0 193.246 2.190 10 30 AEEERN CC1(C)CC[C@H]1C(=O)OCCCC#N 850070196 630970363 /nfs/dbraw/zinc/97/03/63/630970363.db2.gz PWVSLQMKWXJECY-VIFPVBQESA-N 0 0 195.262 2.270 10 30 AEEERN C#CCOC(=O)[C@]1(C)CC=C(C)CC1 850096829 630970574 /nfs/dbraw/zinc/97/05/74/630970574.db2.gz XULPRATVFOFVCG-GFCCVEGCSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCOC(=O)[C@@]1(C)CC=C(C)CC1 850096830 630970864 /nfs/dbraw/zinc/97/08/64/630970864.db2.gz XULPRATVFOFVCG-LBPRGKRZSA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCCOC(=O)[C@H]1CCC1(C)C 850071367 630971329 /nfs/dbraw/zinc/97/13/29/630971329.db2.gz PZKCWGLJDMSBAF-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN CC[C@@H](C#N)OC(=O)[C@@H]1CCC1(C)C 850072014 630971409 /nfs/dbraw/zinc/97/14/09/630971409.db2.gz ZHCSMQKQOVGMDS-IUCAKERBSA-N 0 0 195.262 2.268 10 30 AEEERN C=CCOC(=O)[C@@H]1CCC1(C)C 850070544 630971818 /nfs/dbraw/zinc/97/18/18/630971818.db2.gz SCTKYGXHWYZSMC-QMMMGPOBSA-N 0 0 168.236 2.152 10 30 AEEERN C#CCCCOC(=O)[C@H]1CCC1(C)C 850070090 630971894 /nfs/dbraw/zinc/97/18/94/630971894.db2.gz HFCZEWXDJIFYIB-SNVBAGLBSA-N 0 0 194.274 2.379 10 30 AEEERN C=CCOC(=O)[C@H]1CCC1(C)C 850070543 630971926 /nfs/dbraw/zinc/97/19/26/630971926.db2.gz SCTKYGXHWYZSMC-MRVPVSSYSA-N 0 0 168.236 2.152 10 30 AEEERN N#CCOC(=O)[C@@H]1CCCC2(CC2)C1 850203416 630973558 /nfs/dbraw/zinc/97/35/58/630973558.db2.gz CVHPMPDGVNPFBV-SECBINFHSA-N 0 0 193.246 2.024 10 30 AEEERN C#CCOC(=O)[C@@H]1CCCC2(CC2)C1 850207838 630973889 /nfs/dbraw/zinc/97/38/89/630973889.db2.gz SPLDIYOYNRMTAL-SNVBAGLBSA-N 0 0 192.258 2.133 10 30 AEEERN C#CCOC(=O)[C@H]1CCCC2(CC2)C1 850207837 630974553 /nfs/dbraw/zinc/97/45/53/630974553.db2.gz SPLDIYOYNRMTAL-JTQLQIEISA-N 0 0 192.258 2.133 10 30 AEEERN N#CCOC(=O)[C@H]1CCCC2(CC2)C1 850203417 630975004 /nfs/dbraw/zinc/97/50/04/630975004.db2.gz CVHPMPDGVNPFBV-VIFPVBQESA-N 0 0 193.246 2.024 10 30 AEEERN C[C@@H](CC#N)C(=O)OC1CCCCC1 850741228 630975449 /nfs/dbraw/zinc/97/54/49/630975449.db2.gz MEYUVHDFZABIFC-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C[C@H](CC#N)C(=O)Oc1ccccc1 850743121 630975541 /nfs/dbraw/zinc/97/55/41/630975541.db2.gz OKVCTKDXZWZRNU-SECBINFHSA-N 0 0 189.214 2.142 10 30 AEEERN C[C@H](CC#N)C(=O)OC1CCCCC1 850741221 630975650 /nfs/dbraw/zinc/97/56/50/630975650.db2.gz MEYUVHDFZABIFC-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C[C@@H](CC#N)C(=O)OC1(C)CCCC1 850888721 630975665 /nfs/dbraw/zinc/97/56/65/630975665.db2.gz NPZDVFXAJJPVNT-VIFPVBQESA-N 0 0 195.262 2.412 10 30 AEEERN C[C@H](CC#N)C(=O)OC1(C)CCCC1 850888719 630975701 /nfs/dbraw/zinc/97/57/01/630975701.db2.gz NPZDVFXAJJPVNT-SECBINFHSA-N 0 0 195.262 2.412 10 30 AEEERN C[C@@H](CC#N)C(=O)O[C@@H](C)C1CCC1 850872804 630975708 /nfs/dbraw/zinc/97/57/08/630975708.db2.gz GDNXKVFOEFIWLS-IUCAKERBSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](CC#N)C(=O)Oc1ccccc1 850743122 630975744 /nfs/dbraw/zinc/97/57/44/630975744.db2.gz OKVCTKDXZWZRNU-VIFPVBQESA-N 0 0 189.214 2.142 10 30 AEEERN C[C@H](OC(=O)[C@H](C)CC#N)C1CCC1 850872801 630975797 /nfs/dbraw/zinc/97/57/97/630975797.db2.gz GDNXKVFOEFIWLS-BDAKNGLRSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@H](CC#N)C(=O)O[C@H](C)C1CCC1 850872805 630975862 /nfs/dbraw/zinc/97/58/62/630975862.db2.gz GDNXKVFOEFIWLS-RKDXNWHRSA-N 0 0 195.262 2.268 10 30 AEEERN C[C@@H](CC#N)C(=O)O[C@H](C)C1CCC1 850872802 630975915 /nfs/dbraw/zinc/97/59/15/630975915.db2.gz GDNXKVFOEFIWLS-DTWKUNHWSA-N 0 0 195.262 2.268 10 30 AEEERN C#C[C@@H]1CCCC[C@H]1OC(=O)C1CC1 851531122 630976456 /nfs/dbraw/zinc/97/64/56/630976456.db2.gz MUXVGRZKBTYXQN-MWLCHTKSSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@H]1CCCC[C@@H]1OC(=O)C(C)C 851532280 630976733 /nfs/dbraw/zinc/97/67/33/630976733.db2.gz OPJPBLWVVISUKJ-QWRGUYRKSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H]1CCCC[C@H]1OC(=O)CC 851537019 630976926 /nfs/dbraw/zinc/97/69/26/630976926.db2.gz MDMWRRIFBKFUJG-VHSXEESVSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H]1CCCC[C@H]1OC(=O)CC 851537017 630977238 /nfs/dbraw/zinc/97/72/38/630977238.db2.gz MDMWRRIFBKFUJG-NXEZZACHSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@@H]1CCCC[C@@H]1OC(=O)C(C)C 851532279 630977313 /nfs/dbraw/zinc/97/73/13/630977313.db2.gz OPJPBLWVVISUKJ-MNOVXSKESA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H]1CCCC[C@@H]1OC(=O)CC 851537018 630977778 /nfs/dbraw/zinc/97/77/78/630977778.db2.gz MDMWRRIFBKFUJG-UWVGGRQHSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@H]1CCCC[C@@H]1OC(=O)C1CC1 851531124 630977794 /nfs/dbraw/zinc/97/77/94/630977794.db2.gz MUXVGRZKBTYXQN-ONGXEEELSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H]1CCCC[C@@H]1OC(=O)CC 851537020 630977885 /nfs/dbraw/zinc/97/78/85/630977885.db2.gz MDMWRRIFBKFUJG-ZJUUUORDSA-N 0 0 180.247 2.132 10 30 AEEERN C#C[C@H]1CCCC[C@H]1OC(=O)C(C)C 851532281 630977983 /nfs/dbraw/zinc/97/79/83/630977983.db2.gz OPJPBLWVVISUKJ-WDEREUQCSA-N 0 0 194.274 2.378 10 30 AEEERN C#C[C@H]1CCCC[C@H]1OC(=O)C1CC1 851531118 630978939 /nfs/dbraw/zinc/97/89/39/630978939.db2.gz MUXVGRZKBTYXQN-GXSJLCMTSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H]1CCCC[C@@H]1OC(=O)C1CC1 851531120 630979003 /nfs/dbraw/zinc/97/90/03/630979003.db2.gz MUXVGRZKBTYXQN-KOLCDFICSA-N 0 0 192.258 2.132 10 30 AEEERN C#C[C@@H]1CCCC[C@H]1OC(=O)C(C)C 851532278 630979022 /nfs/dbraw/zinc/97/90/22/630979022.db2.gz OPJPBLWVVISUKJ-GHMZBOCLSA-N 0 0 194.274 2.378 10 30 AEEERN CC[C@@H]1CC(=NOCC(C)C)CO1 853322743 630984094 /nfs/dbraw/zinc/98/40/94/630984094.db2.gz ATVQSJUHMYMZCK-SNVBAGLBSA-N 0 0 185.267 2.214 10 30 AEEERN C[C@@H](C#N)CNN=C1CCCC12CC2 853323768 630984111 /nfs/dbraw/zinc/98/41/11/630984111.db2.gz LMDUNTCHRFLMSO-VIFPVBQESA-N 0 0 191.278 2.056 10 30 AEEERN CC(C)CON=C1CO[C@@H](C2CC2)C1 853322841 630984179 /nfs/dbraw/zinc/98/41/79/630984179.db2.gz FUOQPQFQRBTONZ-LLVKDONJSA-N 0 0 197.278 2.214 10 30 AEEERN CC(C)CON=C1COC2(CCC2)C1 853322740 630984248 /nfs/dbraw/zinc/98/42/48/630984248.db2.gz ASWXBJOVAGCXCV-UHFFFAOYSA-N 0 0 197.278 2.358 10 30 AEEERN C[C@@H](CC#N)NN=C1CCCC12CC2 853324212 630984481 /nfs/dbraw/zinc/98/44/81/630984481.db2.gz YEKGUYKNZAJXJZ-VIFPVBQESA-N 0 0 191.278 2.198 10 30 AEEERN C[C@H](C#N)CNN=C1CCCC12CC2 853323767 630984595 /nfs/dbraw/zinc/98/45/95/630984595.db2.gz LMDUNTCHRFLMSO-SECBINFHSA-N 0 0 191.278 2.056 10 30 AEEERN CC[C@H]1CC(=NOCC(C)C)CO1 853322742 630984565 /nfs/dbraw/zinc/98/45/65/630984565.db2.gz ATVQSJUHMYMZCK-JTQLQIEISA-N 0 0 185.267 2.214 10 30 AEEERN C[C@H](CC#N)NN=C1CCCC12CC2 853324211 630984642 /nfs/dbraw/zinc/98/46/42/630984642.db2.gz YEKGUYKNZAJXJZ-SECBINFHSA-N 0 0 191.278 2.198 10 30 AEEERN C#CCCNC(=O)CCCCCCC 112096359 630988058 /nfs/dbraw/zinc/98/80/58/630988058.db2.gz KGWZGYZZJKKSGF-UHFFFAOYSA-N 0 0 195.306 2.486 10 30 AEEERN C=CCCONC(=O)CCCC(C)C 856035899 630992044 /nfs/dbraw/zinc/99/20/44/630992044.db2.gz MRDIQXZLHLHFNM-UHFFFAOYSA-N 0 0 199.294 2.437 10 30 AEEERN C=CCCONC(=O)[C@@H](C)CC(=C)C 856033814 630993075 /nfs/dbraw/zinc/99/30/75/630993075.db2.gz RQBWQQFCYQAGAH-JTQLQIEISA-N 0 0 197.278 2.213 10 30 AEEERN C=CCCONC(=O)C/C=C(/C)C=C 856033930 630993557 /nfs/dbraw/zinc/99/35/57/630993557.db2.gz WYMKDNFVEYJHDW-YFHOEESVSA-N 0 0 195.262 2.133 10 30 AEEERN C=CCCONC(=O)C/C=C(\C)C=C 856033929 630993710 /nfs/dbraw/zinc/99/37/10/630993710.db2.gz WYMKDNFVEYJHDW-JXMROGBWSA-N 0 0 195.262 2.133 10 30 AEEERN C=CCCONC(=O)[C@H](C)CC(=C)C 856033815 630994134 /nfs/dbraw/zinc/99/41/34/630994134.db2.gz RQBWQQFCYQAGAH-SNVBAGLBSA-N 0 0 197.278 2.213 10 30 AEEERN C=C(C)c1ccc(N2CCC2=O)cc1 857832909 630999560 /nfs/dbraw/zinc/99/95/60/630999560.db2.gz INZGASJMIZKANX-UHFFFAOYSA-N 0 0 187.242 2.456 10 30 AEEERN C#CCCN1CCC[C@H]1C(F)(F)F 859626478 631002645 /nfs/dbraw/zinc/00/26/45/631002645.db2.gz KJSZIKNEWWANLU-QMMMGPOBSA-N 0 0 191.196 2.036 10 30 AEEERN C=C(C)CNN=C(C)c1ccns1 863111634 631004815 /nfs/dbraw/zinc/00/48/15/631004815.db2.gz DUHZILCXACZPRO-UHFFFAOYSA-N 0 0 195.291 2.033 10 30 AEEERN C=CCNN=C(C)C1CC(F)(F)C1 863112869 631004926 /nfs/dbraw/zinc/00/49/26/631004926.db2.gz ZSSJRSATYRJVPS-UHFFFAOYSA-N 0 0 188.221 2.183 10 30 AEEERN C#CCON=C(C)C1CC(F)(F)C1 863112913 631004932 /nfs/dbraw/zinc/00/49/32/631004932.db2.gz OPDGLYOMXBKAPB-UHFFFAOYSA-N 0 0 187.189 2.057 10 30 AEEERN C=CCN(CC=C)C(=O)/C(F)=C\CC 864413473 631006095 /nfs/dbraw/zinc/00/60/95/631006095.db2.gz MSZDXZOPZCRCEI-JXMROGBWSA-N 0 0 197.253 2.450 10 30 AEEERN C=CCN(CC=C)C(=O)/C(F)=C/CC 864413474 631006135 /nfs/dbraw/zinc/00/61/35/631006135.db2.gz MSZDXZOPZCRCEI-YFHOEESVSA-N 0 0 197.253 2.450 10 30 AEEERN C=CCOC(=O)[C@@H](C)C(C)C 221368978 631018194 /nfs/dbraw/zinc/01/81/94/631018194.db2.gz DAHRDTGNBRQALK-QMMMGPOBSA-N 0 0 156.225 2.008 10 30 AEEERN C=CCCCC(=O)OCC(F)(F)F 221338356 631018691 /nfs/dbraw/zinc/01/86/91/631018691.db2.gz KVBRLKHEHWRARW-UHFFFAOYSA-N 0 0 196.168 2.448 10 30 AEEERN CCC1(CS)CC1 140823749 631022464 /nfs/dbraw/zinc/02/24/64/631022464.db2.gz NNSLOAYLAFDACR-UHFFFAOYSA-N 0 0 116.229 2.106 10 30 AEEERN CC#CCCOC(=O)C1(C)CC=CC1 924202854 631028861 /nfs/dbraw/zinc/02/88/61/631028861.db2.gz SFAUKUXNRKPYBF-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN C[C@@H](C#N)OC(=O)C[C@@H]1CC=CCC1 924245695 631029442 /nfs/dbraw/zinc/02/94/42/631029442.db2.gz MCSUDYRCQVDNKJ-VHSXEESVSA-N 0 0 193.246 2.188 10 30 AEEERN CC#CCOC(=O)C[C@H]1CC=CCC1 924244970 631029474 /nfs/dbraw/zinc/02/94/74/631029474.db2.gz SOOSMQRZLAPQAK-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN CC#CCOC(=O)C[C@@H]1CC=CCC1 924244969 631029650 /nfs/dbraw/zinc/02/96/50/631029650.db2.gz SOOSMQRZLAPQAK-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN C=CCCOC(=O)C1(C)CC=CC1 924201130 631029907 /nfs/dbraw/zinc/02/99/07/631029907.db2.gz JQFOWJTYZYGATB-UHFFFAOYSA-N 0 0 180.247 2.462 10 30 AEEERN C[C@H](C#N)OC(=O)C[C@H]1CC=CCC1 924245696 631030125 /nfs/dbraw/zinc/03/01/25/631030125.db2.gz MCSUDYRCQVDNKJ-ZJUUUORDSA-N 0 0 193.246 2.188 10 30 AEEERN C[C@H](C#N)OC(=O)C[C@@H]1CC=CCC1 924244474 631030262 /nfs/dbraw/zinc/03/02/62/631030262.db2.gz MCSUDYRCQVDNKJ-NXEZZACHSA-N 0 0 193.246 2.188 10 30 AEEERN C=C(C)COC(=O)C1(C)CC=CC1 924198287 631030432 /nfs/dbraw/zinc/03/04/32/631030432.db2.gz CASYUKPHKOTBAH-UHFFFAOYSA-N 0 0 180.247 2.462 10 30 AEEERN C#CCCOC(=O)C[C@@H]1CC=CCC1 924244361 631030578 /nfs/dbraw/zinc/03/05/78/631030578.db2.gz FRUDVCNCLIDJGU-LLVKDONJSA-N 0 0 192.258 2.299 10 30 AEEERN C[C@@H](C#N)OC(=O)C[C@H]1CC=CCC1 924245693 631030643 /nfs/dbraw/zinc/03/06/43/631030643.db2.gz MCSUDYRCQVDNKJ-UWVGGRQHSA-N 0 0 193.246 2.188 10 30 AEEERN CC1(C)C(C)(C)C1(C)C(=O)OCC#N 924193413 631031065 /nfs/dbraw/zinc/03/10/65/631031065.db2.gz JSSYKRBOCKMIAF-UHFFFAOYSA-N 0 0 195.262 2.125 10 30 AEEERN C#CCCCOC(=O)C1(C)CC=CC1 924200948 631031105 /nfs/dbraw/zinc/03/11/05/631031105.db2.gz FVZPMPFRKCPVRY-UHFFFAOYSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCCOC(=O)C[C@H]1CC=CCC1 924244362 631031217 /nfs/dbraw/zinc/03/12/17/631031217.db2.gz FRUDVCNCLIDJGU-NSHDSACASA-N 0 0 192.258 2.299 10 30 AEEERN CC1(C(=O)OCCCC#N)CC=CC1 924200534 631031253 /nfs/dbraw/zinc/03/12/53/631031253.db2.gz QQQURNYIAKDBPO-UHFFFAOYSA-N 0 0 193.246 2.190 10 30 AEEERN C=CCCc1noc(C2CSC2)n1 924083445 631031270 /nfs/dbraw/zinc/03/12/70/631031270.db2.gz FOYYYLOUQDAZGW-UHFFFAOYSA-N 0 0 196.275 2.019 10 30 AEEERN C=CCOC(=O)[C@]1(C)C=CCC1 924406417 631032236 /nfs/dbraw/zinc/03/22/36/631032236.db2.gz GCZAOZOKAGVANG-SNVBAGLBSA-N 0 0 166.220 2.072 10 30 AEEERN CC#CCCOC(=O)[C@]1(C)C=CCC1 924407548 631032348 /nfs/dbraw/zinc/03/23/48/631032348.db2.gz JWUXBNMYGDUETI-GFCCVEGCSA-N 0 0 192.258 2.299 10 30 AEEERN C#CCOC(=O)C1(CCCC)CC1 924429140 631032625 /nfs/dbraw/zinc/03/26/25/631032625.db2.gz WCCKQGHCYAOLFD-UHFFFAOYSA-N 0 0 180.247 2.133 10 30 AEEERN N#CCCCOC(=O)[C@@]12CCC[C@@H]1C2 924429934 631032854 /nfs/dbraw/zinc/03/28/54/631032854.db2.gz CAVMQHCFOQOHMA-MWLCHTKSSA-N 0 0 193.246 2.024 10 30 AEEERN C=C(C)COC(=O)[C@]1(C)C=CCC1 924408245 631032874 /nfs/dbraw/zinc/03/28/74/631032874.db2.gz JXZAPFXAJCRWFF-LLVKDONJSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCOC(=O)[C@@]1(C)C=CCC1 924406415 631033725 /nfs/dbraw/zinc/03/37/25/631033725.db2.gz GCZAOZOKAGVANG-JTQLQIEISA-N 0 0 166.220 2.072 10 30 AEEERN CC#CCCOC(=O)[C@@]1(C)C=CCC1 924407549 631033971 /nfs/dbraw/zinc/03/39/71/631033971.db2.gz JWUXBNMYGDUETI-LBPRGKRZSA-N 0 0 192.258 2.299 10 30 AEEERN C=C(C)COC(=O)[C@@]1(C)C=CCC1 924408249 631034027 /nfs/dbraw/zinc/03/40/27/631034027.db2.gz JXZAPFXAJCRWFF-NSHDSACASA-N 0 0 180.247 2.462 10 30 AEEERN C=CCCCC(=O)NCCCC 34319205 631058367 /nfs/dbraw/zinc/05/83/67/631058367.db2.gz ARZZDERXWAILHE-UHFFFAOYSA-N 0 0 169.268 2.259 10 30 AEEERN C[C@@H]1CCc2ccccc2N1CC#N 19802619 524727012 /nfs/dbraw/zinc/72/70/12/524727012.db2.gz FHZTTZSYMAAYCD-SNVBAGLBSA-N 0 0 186.258 2.351 10 30 AEEERN C=CCCC[C@H](C)OC(C)=O 34751799 631076576 /nfs/dbraw/zinc/07/65/76/631076576.db2.gz YSVUPNHQXJSBTC-QMMMGPOBSA-N 0 0 156.225 2.294 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1CCCC1 929114980 631080757 /nfs/dbraw/zinc/08/07/57/631080757.db2.gz DFHHJHFGRMLPOL-JTQLQIEISA-N 0 0 181.279 2.211 10 30 AEEERN C=C[C@H](CC)CC(=O)N1CCCC1 929114982 631080939 /nfs/dbraw/zinc/08/09/39/631080939.db2.gz DFHHJHFGRMLPOL-SNVBAGLBSA-N 0 0 181.279 2.211 10 30 AEEERN C=CCNC(=O)C1(CCCC)CC1 929168435 631082305 /nfs/dbraw/zinc/08/23/05/631082305.db2.gz KHLQEOHHPVKCKM-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CCNC(=O)[C@H]1CC[C@H]2C[C@H]2CC1 929168942 631083668 /nfs/dbraw/zinc/08/36/68/631083668.db2.gz RHMDCFILPGBWLZ-RTCCRHLQSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCNC(=O)C[C@@H]1CC=CCC1 929168370 631083824 /nfs/dbraw/zinc/08/38/24/631083824.db2.gz IUXLCKZXJPZYAV-SNVBAGLBSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCNC(=O)C[C@H]1CC=CCC1 929168367 631084258 /nfs/dbraw/zinc/08/42/58/631084258.db2.gz IUXLCKZXJPZYAV-JTQLQIEISA-N 0 0 179.263 2.035 10 30 AEEERN C=CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 929168461 631084371 /nfs/dbraw/zinc/08/43/71/631084371.db2.gz KOCRBQYHFBWKKT-GARJFASQSA-N 0 0 193.290 2.115 10 30 AEEERN C=CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1 929168941 631084378 /nfs/dbraw/zinc/08/43/78/631084378.db2.gz RHMDCFILPGBWLZ-JGPRNRPPSA-N 0 0 193.290 2.115 10 30 AEEERN C#CCCCCCCN(C)OC 929238184 631086108 /nfs/dbraw/zinc/08/61/08/631086108.db2.gz NKKOKBQMYOLXRG-UHFFFAOYSA-N 0 0 169.268 2.063 10 30 AEEERN C#CCNC(=O)C(C)(C)CC(C)(C)C 929383550 631091910 /nfs/dbraw/zinc/09/19/10/631091910.db2.gz PRXDFPYYXVFJDW-UHFFFAOYSA-N 0 0 195.306 2.198 10 30 AEEERN CN(CC#N)Cc1ccccc1CF 929489546 631094212 /nfs/dbraw/zinc/09/42/12/631094212.db2.gz JYNPGFURSVPRLS-UHFFFAOYSA-N 0 0 192.237 2.111 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@H](C)C1CC1 929918716 631103069 /nfs/dbraw/zinc/10/30/69/631103069.db2.gz YCGCYXRJGDLODY-MRVPVSSYSA-N 0 0 196.294 2.049 10 30 AEEERN C=CC1(CC(=O)NC)CCCCC1 929814145 631103975 /nfs/dbraw/zinc/10/39/75/631103975.db2.gz FNYGBQCPURMCND-UHFFFAOYSA-N 0 0 181.279 2.259 10 30 AEEERN C=CC(C)(C)NC(=O)N[C@@H](C)C1CC1 929918717 631104106 /nfs/dbraw/zinc/10/41/06/631104106.db2.gz YCGCYXRJGDLODY-QMMMGPOBSA-N 0 0 196.294 2.049 10 30 AEEERN C=CCCN(C)[C@H](C)c1ncccn1 930252726 631109766 /nfs/dbraw/zinc/10/97/66/631109766.db2.gz CVAXVPKZQYGLJS-SNVBAGLBSA-N 0 0 191.278 2.046 10 30 AEEERN C=CCCN(C)[C@@H](C)c1ncccn1 930252725 631110239 /nfs/dbraw/zinc/11/02/39/631110239.db2.gz CVAXVPKZQYGLJS-JTQLQIEISA-N 0 0 191.278 2.046 10 30 AEEERN N#CCCCCN1CC[C@@H]1C(F)F 931419220 631122989 /nfs/dbraw/zinc/12/29/89/631122989.db2.gz AFEVHWBMXVDQGJ-MRVPVSSYSA-N 0 0 188.221 2.020 10 30 AEEERN C=C[C@@H](CC)CC(=O)N(C)CCC 931108378 631119356 /nfs/dbraw/zinc/11/93/56/631119356.db2.gz GCTPGEJSJPFJDJ-JTQLQIEISA-N 0 0 183.295 2.457 10 30 AEEERN C=C[C@H](CC)CC(=O)N(C)CCC 931108379 631120855 /nfs/dbraw/zinc/12/08/55/631120855.db2.gz GCTPGEJSJPFJDJ-SNVBAGLBSA-N 0 0 183.295 2.457 10 30 AEEERN C=CCCCN1CC[C@H]1C(F)F 931420795 631121799 /nfs/dbraw/zinc/12/17/99/631121799.db2.gz JMCODRAKJGRPBH-QMMMGPOBSA-N 0 0 175.222 2.292 10 30 AEEERN N#CCCCCN1CC[C@H]1C(F)F 931419228 631121849 /nfs/dbraw/zinc/12/18/49/631121849.db2.gz AFEVHWBMXVDQGJ-QMMMGPOBSA-N 0 0 188.221 2.020 10 30 AEEERN C=C[C@@H](CC)CC(=O)Nc1cnoc1 931343707 631122101 /nfs/dbraw/zinc/12/21/01/631122101.db2.gz LTQFOLAXXZCQEF-QMMMGPOBSA-N 0 0 194.234 2.215 10 30 AEEERN C=CCCCN1CC[C@@H]1C(F)F 931420794 631122618 /nfs/dbraw/zinc/12/26/18/631122618.db2.gz JMCODRAKJGRPBH-MRVPVSSYSA-N 0 0 175.222 2.292 10 30 AEEERN CC(C)(C)CC(C)(C)C(=O)NCC#N 931297998 631122917 /nfs/dbraw/zinc/12/29/17/631122917.db2.gz GQFCAJPUGNNMSK-UHFFFAOYSA-N 0 0 196.294 2.089 10 30 AEEERN C=C[C@H](CC)CC(=O)Nc1cnoc1 931343706 631123055 /nfs/dbraw/zinc/12/30/55/631123055.db2.gz LTQFOLAXXZCQEF-MRVPVSSYSA-N 0 0 194.234 2.215 10 30 AEEERN C=C(Cl)CN1CC[C@H]1C(F)F 931422386 631123662 /nfs/dbraw/zinc/12/36/62/631123662.db2.gz QVYUGRJNWGVAKQ-LURJTMIESA-N 0 0 181.613 2.078 10 30 AEEERN C=C(C)CCN1CC[C@H]1C(F)F 931424758 631124203 /nfs/dbraw/zinc/12/42/03/631124203.db2.gz KUFWSYYXMHTALN-QMMMGPOBSA-N 0 0 175.222 2.292 10 30 AEEERN C=C(C)CCN1CC[C@@H]1C(F)F 931424757 631124608 /nfs/dbraw/zinc/12/46/08/631124608.db2.gz KUFWSYYXMHTALN-MRVPVSSYSA-N 0 0 175.222 2.292 10 30 AEEERN C=C(Cl)CN1CC[C@@H]1C(F)F 931422387 631124754 /nfs/dbraw/zinc/12/47/54/631124754.db2.gz QVYUGRJNWGVAKQ-ZCFIWIBFSA-N 0 0 181.613 2.078 10 30 AEEERN CC#CCN(C)C1(C(F)(F)F)CC1 932302217 631131758 /nfs/dbraw/zinc/13/17/58/631131758.db2.gz WRDSHWPLNXUDQA-UHFFFAOYSA-N 0 0 191.196 2.036 10 30 AEEERN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]1C 931770180 631127572 /nfs/dbraw/zinc/12/75/72/631127572.db2.gz UAUDCZPQERXMLL-OPRDCNLKSA-N 0 0 181.279 2.113 10 30 AEEERN C=CCN(C)C1(C(F)(F)F)CC1 932301045 631131607 /nfs/dbraw/zinc/13/16/07/631131607.db2.gz XUIYYRQDTXZFJF-UHFFFAOYSA-N 0 0 179.185 2.199 10 30 AEEERN C#CCN(CC(F)(F)CC)C(C)C 932383180 631132076 /nfs/dbraw/zinc/13/20/76/631132076.db2.gz GWYVUECYKOITAA-UHFFFAOYSA-N 0 0 189.249 2.375 10 30 AEEERN C#CCN(CC(=C)Cl)C(C)(C)C 932460168 631134267 /nfs/dbraw/zinc/13/42/67/631134267.db2.gz FYKVNBHYKTULKC-UHFFFAOYSA-N 0 0 185.698 2.473 10 30 AEEERN C#CCCNC(=O)C1(CCCC)CC1 932789415 631135028 /nfs/dbraw/zinc/13/50/28/631135028.db2.gz MZRRLPVIHXDRCP-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C=CCCCN1CCCC(=O)[C@@H]1C 932859469 631136768 /nfs/dbraw/zinc/13/67/68/631136768.db2.gz MBAWUUMDNOGUHL-JTQLQIEISA-N 0 0 181.279 2.006 10 30 AEEERN C=C(C)CCN1CCCC(=O)[C@@H]1C 932848619 631136801 /nfs/dbraw/zinc/13/68/01/631136801.db2.gz WHZUDDWTDRCVBX-JTQLQIEISA-N 0 0 181.279 2.006 10 30 AEEERN C=CCCCN1CCCC(=O)[C@H]1C 932859470 631136906 /nfs/dbraw/zinc/13/69/06/631136906.db2.gz MBAWUUMDNOGUHL-SNVBAGLBSA-N 0 0 181.279 2.006 10 30 AEEERN C=CCCCN1CC(=O)CC[C@H]1C 932872699 631136984 /nfs/dbraw/zinc/13/69/84/631136984.db2.gz ZGEOXSKGPJVLPI-SNVBAGLBSA-N 0 0 181.279 2.006 10 30 AEEERN C=CCCCCN1CC(=O)CC[C@H]1C 932877514 631137005 /nfs/dbraw/zinc/13/70/05/631137005.db2.gz UIWUAOLZRXSJIS-LLVKDONJSA-N 0 0 195.306 2.396 10 30 AEEERN C=CCCCCN1CCCC(=O)[C@@H]1C 932849507 631137648 /nfs/dbraw/zinc/13/76/48/631137648.db2.gz SAMFIVMKCLPJIM-NSHDSACASA-N 0 0 195.306 2.396 10 30 AEEERN C=CCCCN1CC(=O)CC[C@@H]1C 932872698 631137810 /nfs/dbraw/zinc/13/78/10/631137810.db2.gz ZGEOXSKGPJVLPI-JTQLQIEISA-N 0 0 181.279 2.006 10 30 AEEERN C=C(C)CCN1CCCC(=O)[C@H]1C 932848620 631138165 /nfs/dbraw/zinc/13/81/65/631138165.db2.gz WHZUDDWTDRCVBX-SNVBAGLBSA-N 0 0 181.279 2.006 10 30 AEEERN C=CCCCCN1CCCC(=O)[C@H]1C 932849506 631138215 /nfs/dbraw/zinc/13/82/15/631138215.db2.gz SAMFIVMKCLPJIM-LLVKDONJSA-N 0 0 195.306 2.396 10 30 AEEERN C=CCCCCN1CC(=O)CC[C@@H]1C 932877516 631138294 /nfs/dbraw/zinc/13/82/94/631138294.db2.gz UIWUAOLZRXSJIS-NSHDSACASA-N 0 0 195.306 2.396 10 30 AEEERN C=CC[C@@H](C)NC(=O)C1(C)CC=CC1 933042583 631138738 /nfs/dbraw/zinc/13/87/38/631138738.db2.gz VXGPKJXSXOWFAH-SNVBAGLBSA-N 0 0 193.290 2.424 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@@]1(C)C=CCC1 933040991 631138762 /nfs/dbraw/zinc/13/87/62/631138762.db2.gz MNOJHEBJNUBXIX-JQWIXIFHSA-N 0 0 193.290 2.424 10 30 AEEERN C=C(Cl)CNC(=O)[C@]1(C)C=CCC1 933169441 631138837 /nfs/dbraw/zinc/13/88/37/631138837.db2.gz FGBCKWVMSKSLFD-SNVBAGLBSA-N 0 0 199.681 2.211 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 933040992 631139404 /nfs/dbraw/zinc/13/94/04/631139404.db2.gz MNOJHEBJNUBXIX-PWSUYJOCSA-N 0 0 193.290 2.424 10 30 AEEERN C#C[C@H]1CCCC[N@H+]1C/C=C\Cl 934509539 631148232 /nfs/dbraw/zinc/14/82/32/631148232.db2.gz NMQDEONBBAYKPQ-BXKUYDPTSA-N 0 0 183.682 2.227 10 30 AEEERN C=CC[C@H](C)NC(=O)C1(C)CC=CC1 933042582 631140070 /nfs/dbraw/zinc/14/00/70/631140070.db2.gz VXGPKJXSXOWFAH-JTQLQIEISA-N 0 0 193.290 2.424 10 30 AEEERN C=CC[C@H](C)NC(=O)[C@]1(C)C=CCC1 933040990 631140096 /nfs/dbraw/zinc/14/00/96/631140096.db2.gz MNOJHEBJNUBXIX-CMPLNLGQSA-N 0 0 193.290 2.424 10 30 AEEERN C=C(Cl)CNC(=O)[C@@]1(C)C=CCC1 933169437 631140105 /nfs/dbraw/zinc/14/01/05/631140105.db2.gz FGBCKWVMSKSLFD-JTQLQIEISA-N 0 0 199.681 2.211 10 30 AEEERN C=CC[C@@H](C)NC(=O)[C@]1(C)C=CCC1 933040993 631140438 /nfs/dbraw/zinc/14/04/38/631140438.db2.gz MNOJHEBJNUBXIX-ZYHUDNBSSA-N 0 0 193.290 2.424 10 30 AEEERN C#CCCCSCC=C 38915892 631141361 /nfs/dbraw/zinc/14/13/61/631141361.db2.gz XYFCPAOSEVEQIZ-UHFFFAOYSA-N 0 0 140.251 2.319 10 30 AEEERN CCSC[C@@H](C)S 39115721 631146390 /nfs/dbraw/zinc/14/63/90/631146390.db2.gz PYUNQQXZACTJIY-RXMQYKEDSA-N 0 0 136.285 2.058 10 30 AEEERN C=CCCN1CCCc2c1n[nH]c2C 934311991 631146404 /nfs/dbraw/zinc/14/64/04/631146404.db2.gz AUGAUIIZQPPYOX-UHFFFAOYSA-N 0 0 191.278 2.047 10 30 AEEERN CCSC[C@H](C)S 39115723 631146424 /nfs/dbraw/zinc/14/64/24/631146424.db2.gz PYUNQQXZACTJIY-YFKPBYRVSA-N 0 0 136.285 2.058 10 30 AEEERN C#C[C@@H]1CCCC[N@H+]1C/C=C\Cl 934509541 631147322 /nfs/dbraw/zinc/14/73/22/631147322.db2.gz NMQDEONBBAYKPQ-ONRRBMGISA-N 0 0 183.682 2.227 10 30 AEEERN C#C[C@@H]1CCCC[N@H+]1C/C=C/Cl 934509535 631147667 /nfs/dbraw/zinc/14/76/67/631147667.db2.gz NMQDEONBBAYKPQ-BREXMAIKSA-N 0 0 183.682 2.227 10 30 AEEERN C=C[C@H](C)NC(=O)C1(C)CC=CC1 934526728 631147699 /nfs/dbraw/zinc/14/76/99/631147699.db2.gz OMRPMMXDAWZCRE-VIFPVBQESA-N 0 0 179.263 2.033 10 30 AEEERN C[C@H](S)C(C)(C)C 39233703 631147921 /nfs/dbraw/zinc/14/79/21/631147921.db2.gz WOPUOILZBDTUEA-YFKPBYRVSA-N 0 0 118.245 2.351 10 30 AEEERN C=C[C@@H](C)NC(=O)C1(C)CC=CC1 934526727 631148047 /nfs/dbraw/zinc/14/80/47/631148047.db2.gz OMRPMMXDAWZCRE-SECBINFHSA-N 0 0 179.263 2.033 10 30 AEEERN C=CCCCC(=O)N(CC)CC 39190837 631148173 /nfs/dbraw/zinc/14/81/73/631148173.db2.gz CMYZQHRDZKGKCQ-UHFFFAOYSA-N 0 0 169.268 2.211 10 30 AEEERN C[C@@H](S)C(C)(C)C 39233704 631148179 /nfs/dbraw/zinc/14/81/79/631148179.db2.gz WOPUOILZBDTUEA-RXMQYKEDSA-N 0 0 118.245 2.351 10 30 AEEERN C#C[C@H]1CCCC[N@H+]1C/C=C/Cl 934509543 631148348 /nfs/dbraw/zinc/14/83/48/631148348.db2.gz NMQDEONBBAYKPQ-STUBTGCMSA-N 0 0 183.682 2.227 10 30 AEEERN C=CCOC(=O)[C@]1(C)CC=CCC1 39257857 631148511 /nfs/dbraw/zinc/14/85/11/631148511.db2.gz CAIHKICSYLPWST-LLVKDONJSA-N 0 0 180.247 2.462 10 30 AEEERN C=CCOC(=O)[C@@]1(C)CC=CCC1 39257858 631149563 /nfs/dbraw/zinc/14/95/63/631149563.db2.gz CAIHKICSYLPWST-NSHDSACASA-N 0 0 180.247 2.462 10 30 AEEERN C=C(C)CN(C)C(=O)[C@]1(C)C=CCC1 935272013 631150728 /nfs/dbraw/zinc/15/07/28/631150728.db2.gz AVYSDBHKJOMMGW-GFCCVEGCSA-N 0 0 193.290 2.377 10 30 AEEERN CC#CCNC(=O)C1(CCCC)CC1 935143379 631150637 /nfs/dbraw/zinc/15/06/37/631150637.db2.gz RLICHULUNWKNMX-UHFFFAOYSA-N 0 0 193.290 2.096 10 30 AEEERN C=C(C)CN(C)C(=O)[C@@]1(C)C=CCC1 935272014 631150967 /nfs/dbraw/zinc/15/09/67/631150967.db2.gz AVYSDBHKJOMMGW-LBPRGKRZSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCN(C)C(=O)C[C@@H]1CC=CCC1 935480869 631151055 /nfs/dbraw/zinc/15/10/55/631151055.db2.gz VMMBYADKISNLEA-LLVKDONJSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(C)CNC(=O)[C@]1(C)C=CCC1 935484314 631151496 /nfs/dbraw/zinc/15/14/96/631151496.db2.gz ZWHZLNYAUWKTKQ-LLVKDONJSA-N 0 0 179.263 2.035 10 30 AEEERN C=CCCN(C)C(=O)C1(C)CC=CC1 935571733 631151551 /nfs/dbraw/zinc/15/15/51/631151551.db2.gz CLBITYJJEAIJPE-UHFFFAOYSA-N 0 0 193.290 2.377 10 30 AEEERN C#C[C@@H](C)NC(=O)C1(CCCC)CC1 935462303 631151634 /nfs/dbraw/zinc/15/16/34/631151634.db2.gz IECDYURPGSDSII-SNVBAGLBSA-N 0 0 193.290 2.095 10 30 AEEERN C#CCN(C)C(=O)C1(CCCC)CC1 935608076 631151677 /nfs/dbraw/zinc/15/16/77/631151677.db2.gz MPUIHWTTZIBYCW-UHFFFAOYSA-N 0 0 193.290 2.048 10 30 AEEERN C=C(C)CNC(=O)C1(C)CC=CC1 935482709 631151696 /nfs/dbraw/zinc/15/16/96/631151696.db2.gz HNTJAYOTKNKVOE-UHFFFAOYSA-N 0 0 179.263 2.035 10 30 AEEERN C#C[C@H](C)NC(=O)C1(CCCC)CC1 935462301 631151728 /nfs/dbraw/zinc/15/17/28/631151728.db2.gz IECDYURPGSDSII-JTQLQIEISA-N 0 0 193.290 2.095 10 30 AEEERN C=CCCN(C)C(=O)[C@@]1(C)C=CCC1 935572526 631151806 /nfs/dbraw/zinc/15/18/06/631151806.db2.gz WSWRLSPNHTUFOI-LBPRGKRZSA-N 0 0 193.290 2.377 10 30 AEEERN C=C(C)CNC(=O)C[C@H]1CC=CCC1 935484282 631151817 /nfs/dbraw/zinc/15/18/17/631151817.db2.gz YVUUVMYALGCHNM-NSHDSACASA-N 0 0 193.290 2.425 10 30 AEEERN C=C(C)CNC(=O)[C@@]1(C)C=CCC1 935484315 631152000 /nfs/dbraw/zinc/15/20/00/631152000.db2.gz ZWHZLNYAUWKTKQ-NSHDSACASA-N 0 0 179.263 2.035 10 30 AEEERN C=C(C)CNC(=O)C[C@@H]1CC=CCC1 935484281 631152002 /nfs/dbraw/zinc/15/20/02/631152002.db2.gz YVUUVMYALGCHNM-LLVKDONJSA-N 0 0 193.290 2.425 10 30 AEEERN C=CCCN(C)C(=O)[C@]1(C)C=CCC1 935572525 631152014 /nfs/dbraw/zinc/15/20/14/631152014.db2.gz WSWRLSPNHTUFOI-GFCCVEGCSA-N 0 0 193.290 2.377 10 30 AEEERN C=CCN(C)C(=O)C[C@H]1CC=CCC1 935480872 631152046 /nfs/dbraw/zinc/15/20/46/631152046.db2.gz VMMBYADKISNLEA-NSHDSACASA-N 0 0 193.290 2.377 10 30 AEEERN C=CCCCNC(=O)C1(C)CC=CC1 935724919 631152465 /nfs/dbraw/zinc/15/24/65/631152465.db2.gz OMRFJGAAMFUYEY-UHFFFAOYSA-N 0 0 193.290 2.425 10 30 AEEERN C=C[C@H](CC)CC(=O)N1CC(C)(F)C1 935737946 631152702 /nfs/dbraw/zinc/15/27/02/631152702.db2.gz UOTCMHZQCKJMPI-SECBINFHSA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]1C 935885099 631152756 /nfs/dbraw/zinc/15/27/56/631152756.db2.gz UAUDCZPQERXMLL-KXUCPTDWSA-N 0 0 181.279 2.113 10 30 AEEERN C=C[C@H](CC)CC(=O)N1CC(C)C1 935667787 631152849 /nfs/dbraw/zinc/15/28/49/631152849.db2.gz VUZUDOAXZLMORW-SNVBAGLBSA-N 0 0 181.279 2.067 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1CC(C)(F)C1 935737947 631152944 /nfs/dbraw/zinc/15/29/44/631152944.db2.gz UOTCMHZQCKJMPI-VIFPVBQESA-N 0 0 199.269 2.159 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1CC(C)C1 935667785 631152981 /nfs/dbraw/zinc/15/29/81/631152981.db2.gz VUZUDOAXZLMORW-JTQLQIEISA-N 0 0 181.279 2.067 10 30 AEEERN C=CCCCNC(=O)[C@@]1(C)C=CCC1 935724789 631153132 /nfs/dbraw/zinc/15/31/32/631153132.db2.gz NPCHFVVTDCOGHJ-LBPRGKRZSA-N 0 0 193.290 2.425 10 30 AEEERN C=C[C@@H](CC)CC(=O)N1CC(C)(C)C1 935714825 631153138 /nfs/dbraw/zinc/15/31/38/631153138.db2.gz FWDOYJNCNLYDNY-JTQLQIEISA-N 0 0 195.306 2.457 10 30 AEEERN C=CCCCNC(=O)[C@]1(C)C=CCC1 935724787 631153171 /nfs/dbraw/zinc/15/31/71/631153171.db2.gz NPCHFVVTDCOGHJ-GFCCVEGCSA-N 0 0 193.290 2.425 10 30 AEEERN C=C[C@H](CC)CC(=O)N1CC(C)(C)C1 935714826 631153344 /nfs/dbraw/zinc/15/33/44/631153344.db2.gz FWDOYJNCNLYDNY-SNVBAGLBSA-N 0 0 195.306 2.457 10 30 AEEERN CCCCCCCNC(=O)NCC 79325914 631156329 /nfs/dbraw/zinc/15/63/29/631156329.db2.gz ASJUAQPBMPJNNR-UHFFFAOYSA-N 0 0 186.299 2.276 10 30 AEEERN SCCCCC1CC1 79960083 631156603 /nfs/dbraw/zinc/15/66/03/631156603.db2.gz WRKXEARKENRCFZ-UHFFFAOYSA-N 0 0 130.256 2.497 10 30 AEEERN S[C@@H]1CC[C@H]2CCC[C@@H]12 82057849 631157309 /nfs/dbraw/zinc/15/73/09/631157309.db2.gz YCOYSRBRVDGEAK-BWZBUEFSSA-N 0 0 142.267 2.495 10 30 AEEERN N#CCOC(=O)c1ccc(Cl)cc1 196528813 631157881 /nfs/dbraw/zinc/15/78/81/631157881.db2.gz FRMPCQNMIJEXFS-UHFFFAOYSA-N 0 0 195.605 2.020 10 30 AEEERN CCCCCC(=O)OC[C@@H](C)C#N 196407389 631157848 /nfs/dbraw/zinc/15/78/48/631157848.db2.gz UASVTPBMUYIXHX-VIFPVBQESA-N 0 0 183.251 2.270 10 30 AEEERN SC[C@H]1CCCSC1 84303606 631158075 /nfs/dbraw/zinc/15/80/75/631158075.db2.gz VCRMNRRKOUNTAY-ZCFIWIBFSA-N 0 0 148.296 2.059 10 30 AEEERN C=CCCCC(=O)N1CCCCC1 196821827 631158088 /nfs/dbraw/zinc/15/80/88/631158088.db2.gz HRGVLLQQXWEBPJ-UHFFFAOYSA-N 0 0 181.279 2.355 10 30 AEEERN SC[C@@H]1CCCSC1 84303611 631158307 /nfs/dbraw/zinc/15/83/07/631158307.db2.gz VCRMNRRKOUNTAY-LURJTMIESA-N 0 0 148.296 2.059 10 30 AEEERN CCCCCC(=O)OC[C@H](C)C#N 196407399 631158351 /nfs/dbraw/zinc/15/83/51/631158351.db2.gz UASVTPBMUYIXHX-SECBINFHSA-N 0 0 183.251 2.270 10 30 AEEERN CC(C)(C=O)c1ccc(F)cc1F 84344650 631158691 /nfs/dbraw/zinc/15/86/91/631158691.db2.gz GJHLTCFZMNRIIF-UHFFFAOYSA-N 0 0 184.185 2.441 10 30 AEEERN C/C=C1/CCCCCC1=O 196095584 631158756 /nfs/dbraw/zinc/15/87/56/631158756.db2.gz MEUUXZKWTXRZIF-WAPJZHGLSA-N 0 0 138.210 2.466 10 30 AEEERN CC1=CC(=O)[C@@H]2[C@@H](C)CC[C@H]12 196126193 631159069 /nfs/dbraw/zinc/15/90/69/631159069.db2.gz PLLWKYZJQPQVBK-SKWCMTHISA-N 0 0 150.221 2.178 10 30 AEEERN CC(C)COC(=O)CCCCC#N 196411091 631159013 /nfs/dbraw/zinc/15/90/13/631159013.db2.gz GVVPLKPNEPDIFS-UHFFFAOYSA-N 0 0 183.251 2.270 10 30 AEEERN C=CCOC(=O)C[C@H](C)C(F)(F)F 197036431 631159294 /nfs/dbraw/zinc/15/92/94/631159294.db2.gz ZAAYQTJFGHMWCH-LURJTMIESA-N 0 0 196.168 2.304 10 30 AEEERN CCCOc1ccc(C=NO)cc1 252364638 631165320 /nfs/dbraw/zinc/16/53/20/631165320.db2.gz PGAYBBCKROPVLT-UHFFFAOYSA-N 0 0 179.219 2.284 10 30 AEEERN C=CCOc1ccc(C=NO)cc1 252369942 631165403 /nfs/dbraw/zinc/16/54/03/631165403.db2.gz GYEZCKVBVYAGCR-UHFFFAOYSA-N 0 0 177.203 2.060 10 30 AEEERN CC(=NO)c1ccc(C)s1 252363582 631165681 /nfs/dbraw/zinc/16/56/81/631165681.db2.gz PSNLEFAJCBPCPQ-UHFFFAOYSA-N 0 0 155.222 2.255 10 30 AEEERN C#C[C@H](C)OC(=O)C1=CCCCC1 306171151 631167707 /nfs/dbraw/zinc/16/77/07/631167707.db2.gz ARYISOOKJKMEFB-VIFPVBQESA-N 0 0 178.231 2.052 10 30 AEEERN C#C[C@@H](C)OC(=O)C1=CCCCC1 306170337 631167932 /nfs/dbraw/zinc/16/79/32/631167932.db2.gz ARYISOOKJKMEFB-SECBINFHSA-N 0 0 178.231 2.052 10 30 AEEERN C#CCCCSCC#CC 306256707 631169024 /nfs/dbraw/zinc/16/90/24/631169024.db2.gz ZFCITOZDELVOBH-UHFFFAOYSA-N 0 0 152.262 2.156 10 30 AEEERN C=C(C)CNC(=O)C(C)=C(C)C 306298168 631170833 /nfs/dbraw/zinc/17/08/33/631170833.db2.gz GQXCLMMFPJJVFZ-UHFFFAOYSA-N 0 0 167.252 2.035 10 30 AEEERN C[C@H]1C[C@@H]1CNc1ccnc(C#N)c1 133556624 524846750 /nfs/dbraw/zinc/84/67/50/524846750.db2.gz OOOFVNFOGRDQBX-DTWKUNHWSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@@H]1CNc1ccc(C#N)nc1 167037878 524847489 /nfs/dbraw/zinc/84/74/89/524847489.db2.gz NWRPUEVGDBQCLB-DTWKUNHWSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@@H]1CNc1cccc(C#N)n1 135514995 524847670 /nfs/dbraw/zinc/84/76/70/524847670.db2.gz KFJLPRHAASLQJR-DTWKUNHWSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@H]1CNc1cccc(C#N)n1 135515032 524955648 /nfs/dbraw/zinc/95/56/48/524955648.db2.gz KFJLPRHAASLQJR-IUCAKERBSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@H]1CNc1cc(C#N)ccn1 135535115 524956100 /nfs/dbraw/zinc/95/61/00/524956100.db2.gz MUOCEANEWMYVNM-WPRPVWTQSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@H]1CNc1cnccc1C#N 135534520 524956632 /nfs/dbraw/zinc/95/66/32/524956632.db2.gz OJQOOICQBJIOHM-WPRPVWTQSA-N 0 0 187.246 2.021 10 30 AEEERN C[C@H]1C[C@H]1CNc1cccnc1C#N 135535376 524957140 /nfs/dbraw/zinc/95/71/40/524957140.db2.gz UCTDZPXYCHOIHT-IUCAKERBSA-N 0 0 187.246 2.021 10 30 AEEERN C=C[C@](C)(O)CNc1ccccc1 5551058 1224162089 /nfs/dbraw/zinc/16/20/89/1224162089.db2.gz GHIIFJPGRPLYIU-NSHDSACASA-N 0 0 177.247 2.036 10 30 AEEERN CC(C)Nc1ccc(OCC#N)cc1 20126509 1224163984 /nfs/dbraw/zinc/16/39/84/1224163984.db2.gz COBZFJGNMISHQU-UHFFFAOYSA-N 0 0 190.246 2.409 10 30 AEEERN CCOc1ccc(NCC#N)cc1 20040268 1224164021 /nfs/dbraw/zinc/16/40/21/1224164021.db2.gz NVVIIGSAFMHZBH-UHFFFAOYSA-N 0 0 176.219 2.021 10 30 AEEERN C[C@H](C#N)NC1CCCCCC1 20177608 1224164172 /nfs/dbraw/zinc/16/41/72/1224164172.db2.gz HMBODNBNHBBQJY-SECBINFHSA-N 0 0 166.268 2.211 10 30 AEEERN Cc1ccc(C)c(NCC#N)c1 20056042 1224164537 /nfs/dbraw/zinc/16/45/37/1224164537.db2.gz NGQWDOXEIAXUIO-UHFFFAOYSA-N 0 0 160.220 2.239 10 30 AEEERN Cc1ccc(CN(C)[C@@H](C)C#N)cc1 44287256 1224169355 /nfs/dbraw/zinc/16/93/55/1224169355.db2.gz CBEVDFGHXFHYQG-NSHDSACASA-N 0 0 188.274 2.339 10 30 AEEERN C=C[C@@H](C)Oc1ccc(CO)cc1 52142576 1224170219 /nfs/dbraw/zinc/17/02/19/1224170219.db2.gz RRTHIBZBDDKJOZ-SECBINFHSA-N 0 0 178.231 2.132 10 30 AEEERN C=C[C@H](C)Oc1ccc(CO)cc1 52142573 1224170666 /nfs/dbraw/zinc/17/06/66/1224170666.db2.gz RRTHIBZBDDKJOZ-VIFPVBQESA-N 0 0 178.231 2.132 10 30 AEEERN CC[C@@H](C)CN1CCCC[C@@H]1C#N 70662749 1224177166 /nfs/dbraw/zinc/17/71/66/1224177166.db2.gz HDIMRWIJBCIOKB-GHMZBOCLSA-N 0 0 180.295 2.411 10 30 AEEERN CC[C@H](C)CN1CCCC[C@@H]1C#N 70662750 1224177183 /nfs/dbraw/zinc/17/71/83/1224177183.db2.gz HDIMRWIJBCIOKB-WDEREUQCSA-N 0 0 180.295 2.411 10 30 AEEERN Cc1nc2cc(CCC#N)ccc2[nH]1 82588098 1224177869 /nfs/dbraw/zinc/17/78/69/1224177869.db2.gz ARIVWQOMVVKCBT-UHFFFAOYSA-N 0 0 185.230 2.328 10 30 AEEERN COc1ccc(OC)c(CCC#N)c1 82530398 1224177953 /nfs/dbraw/zinc/17/79/53/1224177953.db2.gz HVLZQMZJVLSPTE-UHFFFAOYSA-N 0 0 191.230 2.160 10 30 AEEERN COc1ccc(CCC#N)c(OC)c1 82530401 1224178371 /nfs/dbraw/zinc/17/83/71/1224178371.db2.gz LYSWUWUCSBSLGI-UHFFFAOYSA-N 0 0 191.230 2.160 10 30 AEEERN Cn1ccc(Nc2ccc(C#N)cc2)n1 86779519 1224179468 /nfs/dbraw/zinc/17/94/68/1224179468.db2.gz OFECBZYBYZUHJW-UHFFFAOYSA-N 0 0 198.229 2.035 10 30 AEEERN Cn1ccc(Nc2ccccc2C#N)n1 86779491 1224179601 /nfs/dbraw/zinc/17/96/01/1224179601.db2.gz OZDDWHMCJOMSMW-UHFFFAOYSA-N 0 0 198.229 2.035 10 30 AEEERN C#CCCNc1ncc(Cl)cc1F 86710797 1224179823 /nfs/dbraw/zinc/17/98/23/1224179823.db2.gz HCXJHVXNAMLXFR-UHFFFAOYSA-N 0 0 198.628 2.309 10 30 AEEERN CC(C)[C@@H](C)Oc1cccc(C#N)n1 87469257 1224180479 /nfs/dbraw/zinc/18/04/79/1224180479.db2.gz OZPUPXSJOHXLPB-SECBINFHSA-N 0 0 190.246 2.377 10 30 AEEERN CC(C)[C@H](C)Oc1ncccc1C#N 87469250 1224180489 /nfs/dbraw/zinc/18/04/89/1224180489.db2.gz PDDMMROYFWVCCN-VIFPVBQESA-N 0 0 190.246 2.377 10 30 AEEERN CC(C)[C@@H](C)Oc1ncccc1C#N 87469249 1224180522 /nfs/dbraw/zinc/18/05/22/1224180522.db2.gz PDDMMROYFWVCCN-SECBINFHSA-N 0 0 190.246 2.377 10 30 AEEERN C=C[C@H](C)Oc1cccnc1F 87542465 1224180651 /nfs/dbraw/zinc/18/06/51/1224180651.db2.gz WUCXGCQJORVMIP-ZETCQYMHSA-N 0 0 167.183 2.174 10 30 AEEERN C=C[C@@H](C)Oc1cccnc1F 87542466 1224180745 /nfs/dbraw/zinc/18/07/45/1224180745.db2.gz WUCXGCQJORVMIP-SSDOTTSWSA-N 0 0 167.183 2.174 10 30 AEEERN CC(C)[C@H](C)Oc1cccc(C#N)n1 87469258 1224180780 /nfs/dbraw/zinc/18/07/80/1224180780.db2.gz OZPUPXSJOHXLPB-VIFPVBQESA-N 0 0 190.246 2.377 10 30 AEEERN C=C(C)CN(CC)C(=O)NCCC 135824716 1224186133 /nfs/dbraw/zinc/18/61/33/1224186133.db2.gz GDEXJYZCCCTHSJ-UHFFFAOYSA-N 0 0 184.283 2.004 10 30 AEEERN CCc1ccc(F)cc1C#N 143103155 1224186933 /nfs/dbraw/zinc/18/69/33/1224186933.db2.gz JHAOBOOXVRICBS-UHFFFAOYSA-N 0 0 149.168 2.260 10 30 AEEERN C=CCc1ccc(C)c(O)c1 143181591 1224186985 /nfs/dbraw/zinc/18/69/85/1224186985.db2.gz VHEIWYTWPADJJC-UHFFFAOYSA-N 0 0 148.205 2.429 10 30 AEEERN N#Cc1ccc(-c2ccc(N)cn2)cc1 143205653 1224187337 /nfs/dbraw/zinc/18/73/37/1224187337.db2.gz JRNCYXNPGJSXKP-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C#C[C@H](C)Nc1ncc2ccccc2n1 159069313 1224191005 /nfs/dbraw/zinc/19/10/05/1224191005.db2.gz XJSFCWCWFDGZIH-VIFPVBQESA-N 0 0 197.241 2.063 10 30 AEEERN CCC(=O)Cc1ccccc1C#N 168349636 1224201113 /nfs/dbraw/zinc/20/11/13/1224201113.db2.gz IVNYZVQUHHEZFM-UHFFFAOYSA-N 0 0 173.215 2.080 10 30 AEEERN C#CC(C)(C)C(=O)Nc1ccccc1 196285403 1224203477 /nfs/dbraw/zinc/20/34/77/1224203477.db2.gz UNTLSUBOAUNMLO-UHFFFAOYSA-N 0 0 187.242 2.285 10 30 AEEERN COc1cc(C#N)ccc1C1CC1 198877579 1224206677 /nfs/dbraw/zinc/20/66/77/1224206677.db2.gz HFYJJYNAMVZSNF-UHFFFAOYSA-N 0 0 173.215 2.444 10 30 AEEERN C=CCOC(=O)Nc1cccc(N)c1 198860151 1224207102 /nfs/dbraw/zinc/20/71/02/1224207102.db2.gz IDGQTLMBDBRMIH-UHFFFAOYSA-N 0 0 192.218 2.003 10 30 AEEERN C=CCOC(=O)N[C@@H]1C=CCCC1 199350358 1224207464 /nfs/dbraw/zinc/20/74/64/1224207464.db2.gz PHQZJRLPFJCTGG-SECBINFHSA-N 0 0 181.235 2.007 10 30 AEEERN C=CCOC(=O)N[C@H]1C=CCCC1 199350340 1224207552 /nfs/dbraw/zinc/20/75/52/1224207552.db2.gz PHQZJRLPFJCTGG-VIFPVBQESA-N 0 0 181.235 2.007 10 30 AEEERN N#Cc1ccc(CC(F)F)cc1 206445454 1224215608 /nfs/dbraw/zinc/21/56/08/1224215608.db2.gz SETUIJRFDQCQBJ-UHFFFAOYSA-N 0 0 167.158 2.366 10 30 AEEERN Cc1cc(O)cc(CCC#N)c1 213812470 1224216421 /nfs/dbraw/zinc/21/64/21/1224216421.db2.gz IDQLUKAOXRYVGJ-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN N#CCCc1ccc(F)c(C#N)c1 214074708 1224217617 /nfs/dbraw/zinc/21/76/17/1224217617.db2.gz OZHOLHVVIUSYAD-UHFFFAOYSA-N 0 0 174.178 2.154 10 30 AEEERN COc1cc(F)ccc1CCC#N 214203114 1224217829 /nfs/dbraw/zinc/21/78/29/1224217829.db2.gz CSMKHLHVQJTFJU-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN N#CCc1ccccc1OC1CC1 214054010 1224218186 /nfs/dbraw/zinc/21/81/86/1224218186.db2.gz JNKLJKCQBSOJPM-UHFFFAOYSA-N 0 0 173.215 2.294 10 30 AEEERN COc1ccc(F)c(CCC#N)c1F 214867186 1224218536 /nfs/dbraw/zinc/21/85/36/1224218536.db2.gz CUARKMFFRYXTCI-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN COc1c(F)cc(CCC#N)cc1F 214867031 1224218603 /nfs/dbraw/zinc/21/86/03/1224218603.db2.gz PPJXPZQQZHGWMD-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN COc1cc(CCC#N)cc(F)c1F 214867255 1224218677 /nfs/dbraw/zinc/21/86/77/1224218677.db2.gz XJVDJQJTKRTZQB-UHFFFAOYSA-N 0 0 197.184 2.430 10 30 AEEERN Cc1cccc(-c2cnc(C#N)nc2)c1 220255360 1224224392 /nfs/dbraw/zinc/22/43/92/1224224392.db2.gz RMPGBDNSQRZGPC-UHFFFAOYSA-N 0 0 195.225 2.324 10 30 AEEERN CC[C@H](C#N)N[C@H]1CC[C@@H](C)C1 228950639 1224229358 /nfs/dbraw/zinc/22/93/58/1224229358.db2.gz RMUVDGILIMKVML-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@H](C#N)N[C@@H]1CC[C@@H](C)C1 228950616 1224229422 /nfs/dbraw/zinc/22/94/22/1224229422.db2.gz RMUVDGILIMKVML-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN N#Cc1ncccc1-c1ccc(N)cc1 238604882 1224238205 /nfs/dbraw/zinc/23/82/05/1224238205.db2.gz DZDIMRTZTBVGGN-UHFFFAOYSA-N 0 0 195.225 2.202 10 30 AEEERN C=CCCCCCN1CCCC(=O)C1 232570963 1224233586 /nfs/dbraw/zinc/23/35/86/1224233586.db2.gz FAZQEUAOKMRTSG-UHFFFAOYSA-N 0 0 195.306 2.398 10 30 AEEERN C=CCCCCCN1CCC(=O)CC1 232570814 1224233811 /nfs/dbraw/zinc/23/38/11/1224233811.db2.gz AKGOJJUSPGEDDN-UHFFFAOYSA-N 0 0 195.306 2.398 10 30 AEEERN C#CCNc1ccc(C(C)(C)C)cn1 232556586 1224233987 /nfs/dbraw/zinc/23/39/87/1224233987.db2.gz XDPFSUUERFYQCA-UHFFFAOYSA-N 0 0 188.274 2.424 10 30 AEEERN C=CCOC(=O)NCC1CCCCC1 232700412 1224235961 /nfs/dbraw/zinc/23/59/61/1224235961.db2.gz FZAWRNPHDOBDNR-UHFFFAOYSA-N 0 0 197.278 2.479 10 30 AEEERN C=Cc1cc(F)cc(C#N)c1 238584084 1224236717 /nfs/dbraw/zinc/23/67/17/1224236717.db2.gz LRWODXLUZAFWRJ-UHFFFAOYSA-N 0 0 147.152 2.340 10 30 AEEERN N#Cc1ccc(-c2ccccc2)nn1 238576160 1224237054 /nfs/dbraw/zinc/23/70/54/1224237054.db2.gz LNTPETPHJVRBFT-UHFFFAOYSA-N 0 0 181.198 2.015 10 30 AEEERN N#Cc1cncc2sccc12 238570008 1224237158 /nfs/dbraw/zinc/23/71/58/1224237158.db2.gz VZOVVMIOZZLKAX-UHFFFAOYSA-N 0 0 160.201 2.168 10 30 AEEERN N#Cc1ccccc1Nc1ccncn1 238568533 1224237335 /nfs/dbraw/zinc/23/73/35/1224237335.db2.gz OKHYGSAKKLXQKI-UHFFFAOYSA-N 0 0 196.213 2.092 10 30 AEEERN N#Cc1cc(OC2CC2)ccc1F 238581376 1224237422 /nfs/dbraw/zinc/23/74/22/1224237422.db2.gz UHEKJJLXOKXKBY-UHFFFAOYSA-N 0 0 177.178 2.239 10 30 AEEERN N#Cc1ccc(-c2ccoc2)cn1 238576292 1224237636 /nfs/dbraw/zinc/23/76/36/1224237636.db2.gz VAKZABDXHPHWLO-UHFFFAOYSA-N 0 0 170.171 2.213 10 30 AEEERN N#Cc1cncc(-c2ccc(F)cc2)n1 238605980 1224238119 /nfs/dbraw/zinc/23/81/19/1224238119.db2.gz VOTVWSGDDRXFPR-UHFFFAOYSA-N 0 0 199.188 2.154 10 30 AEEERN C=CCOC(=O)N[C@H]1CCCC[C@H]1C 240765625 1224238502 /nfs/dbraw/zinc/23/85/02/1224238502.db2.gz AUECDXXZNKZVAF-ZJUUUORDSA-N 0 0 197.278 2.477 10 30 AEEERN C=CCOC(=O)N[C@@H]1CCCC[C@H]1C 240765622 1224238544 /nfs/dbraw/zinc/23/85/44/1224238544.db2.gz AUECDXXZNKZVAF-NXEZZACHSA-N 0 0 197.278 2.477 10 30 AEEERN C=CCOC(=O)N[C@H]1CCCC[C@@H]1C 240765623 1224238609 /nfs/dbraw/zinc/23/86/09/1224238609.db2.gz AUECDXXZNKZVAF-UWVGGRQHSA-N 0 0 197.278 2.477 10 30 AEEERN C=CCOC(=O)N[C@@H]1CCCC[C@@H]1C 240765624 1224238676 /nfs/dbraw/zinc/23/86/76/1224238676.db2.gz AUECDXXZNKZVAF-VHSXEESVSA-N 0 0 197.278 2.477 10 30 AEEERN CC[C@@H]1CC[C@@H](N(C)CC#N)C1 306352524 1224256582 /nfs/dbraw/zinc/25/65/82/1224256582.db2.gz ZHISUKBMDUDSFF-NXEZZACHSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H]1CC[C@@H](N(C)CC#N)C1 306352529 1224256590 /nfs/dbraw/zinc/25/65/90/1224256590.db2.gz ZHISUKBMDUDSFF-VHSXEESVSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@@H]1CC[C@H](N(C)CC#N)C1 306352530 1224256650 /nfs/dbraw/zinc/25/66/50/1224256650.db2.gz ZHISUKBMDUDSFF-ZJUUUORDSA-N 0 0 166.268 2.020 10 30 AEEERN CC[C@H]1CC[C@H](N(C)CC#N)C1 306352526 1224256763 /nfs/dbraw/zinc/25/67/63/1224256763.db2.gz ZHISUKBMDUDSFF-UWVGGRQHSA-N 0 0 166.268 2.020 10 30 AEEERN Cc1c(C#N)cccc1CCC#N 306656552 1224271127 /nfs/dbraw/zinc/27/11/27/1224271127.db2.gz LXEIGJMRCCDVDJ-UHFFFAOYSA-N 0 0 170.215 2.323 10 30 AEEERN COc1cc(F)cc(CCC#N)c1 306938277 1224274362 /nfs/dbraw/zinc/27/43/62/1224274362.db2.gz MPHHRXMYYPOSOC-UHFFFAOYSA-N 0 0 179.194 2.290 10 30 AEEERN COc1cccc(CCC#N)c1C 307113636 1224276450 /nfs/dbraw/zinc/27/64/50/1224276450.db2.gz RIJKOTDSFMRQEL-UHFFFAOYSA-N 0 0 175.231 2.460 10 30 AEEERN N#CCCc1cc(Cl)cc(CO)c1 307182147 1224279572 /nfs/dbraw/zinc/27/95/72/1224279572.db2.gz UEEOHPIIXYFONA-UHFFFAOYSA-N 0 0 195.649 2.288 10 30 AEEERN N#CCCc1cccc(CO)c1Cl 307305201 1224281698 /nfs/dbraw/zinc/28/16/98/1224281698.db2.gz ICFPIJOFUZUKDY-UHFFFAOYSA-N 0 0 195.649 2.288 10 30 AEEERN Cc1cccc(CCC#N)c1O 307306820 1224281778 /nfs/dbraw/zinc/28/17/78/1224281778.db2.gz DDXPZCQAFBLGKF-UHFFFAOYSA-N 0 0 161.204 2.157 10 30 AEEERN CC[C@H](CC#N)N1CCC(F)(F)C1 307307216 1224282000 /nfs/dbraw/zinc/28/20/00/1224282000.db2.gz LOTMWBSZGSSWJU-MRVPVSSYSA-N 0 0 188.221 2.020 10 30 AEEERN CC[C@@H](CC#N)N1CCC(F)(F)C1 307307217 1224282350 /nfs/dbraw/zinc/28/23/50/1224282350.db2.gz LOTMWBSZGSSWJU-QMMMGPOBSA-N 0 0 188.221 2.020 10 30 AEEERN CC[C@@H]1CC[C@@H](N[C@H](C)C#N)C1 307521059 1224286656 /nfs/dbraw/zinc/28/66/56/1224286656.db2.gz SLDAISABQCPMAO-OPRDCNLKSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@@H]1CC[C@@H](N[C@@H](C)C#N)C1 307521057 1224286732 /nfs/dbraw/zinc/28/67/32/1224286732.db2.gz SLDAISABQCPMAO-IVZWLZJFSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@@H]1CC[C@H](N[C@@H](C)C#N)C1 307521055 1224286852 /nfs/dbraw/zinc/28/68/52/1224286852.db2.gz SLDAISABQCPMAO-AEJSXWLSSA-N 0 0 166.268 2.067 10 30 AEEERN CC[C@@H]1CC[C@H](N[C@H](C)C#N)C1 307521056 1224287009 /nfs/dbraw/zinc/28/70/09/1224287009.db2.gz SLDAISABQCPMAO-BBBLOLIVSA-N 0 0 166.268 2.067 10 30 AEEERN COc1cccc(CCC#N)c1C#N 307560990 1224288170 /nfs/dbraw/zinc/28/81/70/1224288170.db2.gz SCAGWSJQAUTSDY-UHFFFAOYSA-N 0 0 186.214 2.023 10 30 AEEERN CON=C(C)C1CCCC1 307823844 1224292647 /nfs/dbraw/zinc/29/26/47/1224292647.db2.gz DRMORZHSVRYJIY-UHFFFAOYSA-N 0 0 141.214 2.199 10 30 AEEERN C=CCCOc1ccnc(C)c1 308140466 1224294917 /nfs/dbraw/zinc/29/49/17/1224294917.db2.gz GYWZIPUXCDAICI-UHFFFAOYSA-N 0 0 163.220 2.345 10 30 AEEERN CC(C)[C@@H](C#N)C=NOCC(F)F 308133038 1224295031 /nfs/dbraw/zinc/29/50/31/1224295031.db2.gz CFCYUKBUVKRUKH-ZETCQYMHSA-N 0 0 190.193 2.050 10 30 AEEERN CC(C)[C@H](C#N)C=NOCC(F)F 308133037 1224295128 /nfs/dbraw/zinc/29/51/28/1224295128.db2.gz CFCYUKBUVKRUKH-SSDOTTSWSA-N 0 0 190.193 2.050 10 30 AEEERN CC(C)(C)ON=Cc1cccnc1 308130651 1224295395 /nfs/dbraw/zinc/29/53/95/1224295395.db2.gz AOCNXFGYANIRKA-UHFFFAOYSA-N 0 0 178.235 2.231 10 30 AEEERN Cn1ccc(C=NOC(C)(C)C)c1 308362339 1224298969 /nfs/dbraw/zinc/29/89/69/1224298969.db2.gz FFTHSXJATPSFLH-UHFFFAOYSA-N 0 0 180.251 2.174 10 30 AEEERN CSCCC=NOCC1CC1 378894853 1224305816 /nfs/dbraw/zinc/30/58/16/1224305816.db2.gz BUJYWSLZJYREKO-UHFFFAOYSA-N 0 0 173.281 2.152 10 30 AEEERN C=CCOC(=O)NC(CC)CC 379328730 1224308694 /nfs/dbraw/zinc/30/86/94/1224308694.db2.gz QYDNHBRMURAVJR-UHFFFAOYSA-N 0 0 171.240 2.087 10 30 AEEERN C=CCSCc1nnc(CCC)o1 379374422 1224309603 /nfs/dbraw/zinc/30/96/03/1224309603.db2.gz MXWVWROMSJRGGO-UHFFFAOYSA-N 0 0 198.291 2.441 10 30 AEEERN C=CCNC(=O)N(C)C(CC)CC 379374380 1224309884 /nfs/dbraw/zinc/30/98/84/1224309884.db2.gz MVSAVEAKEYZWGA-UHFFFAOYSA-N 0 0 184.283 2.002 10 30 AEEERN C=C(C)COC(=O)[C@@H]1C[C@H]1C1CC1 379396094 1224312756 /nfs/dbraw/zinc/31/27/56/1224312756.db2.gz CIZRCKFPHJQTMR-VHSXEESVSA-N 0 0 180.247 2.152 10 30 AEEERN C=C(C)COC(=O)[C@H]1C[C@H]1C1CC1 379396093 1224312984 /nfs/dbraw/zinc/31/29/84/1224312984.db2.gz CIZRCKFPHJQTMR-UWVGGRQHSA-N 0 0 180.247 2.152 10 30 AEEERN C#CCOCSc1nc(C)cs1 382095270 1224320605 /nfs/dbraw/zinc/32/06/05/1224320605.db2.gz DKSRSKASCNLMHL-UHFFFAOYSA-N 0 0 199.300 2.151 10 30 AEEERN C[C@H]1SCCC1=NOCC1CC1 382094939 1224320902 /nfs/dbraw/zinc/32/09/02/1224320902.db2.gz DIJRGUJACRGCLE-SSDOTTSWSA-N 0 0 185.292 2.294 10 30 AEEERN C[C@@H]1SCCC1=NOCC1CC1 382094959 1224321593 /nfs/dbraw/zinc/32/15/93/1224321593.db2.gz DIJRGUJACRGCLE-ZETCQYMHSA-N 0 0 185.292 2.294 10 30 AEEERN CCOCCC=NOC(C)(C)C 388388720 1224325453 /nfs/dbraw/zinc/32/54/53/1224325453.db2.gz AQNQARACQFKFSO-UHFFFAOYSA-N 0 0 173.256 2.214 10 30 AEEERN C=CCOC(=O)N[C@H](C)CCC 388427640 1224326237 /nfs/dbraw/zinc/32/62/37/1224326237.db2.gz LFDXRFBNCRFVOR-MRVPVSSYSA-N 0 0 171.240 2.087 10 30 AEEERN C=CCOC(=O)N[C@@H](C)CCC 388427641 1224326512 /nfs/dbraw/zinc/32/65/12/1224326512.db2.gz LFDXRFBNCRFVOR-QMMMGPOBSA-N 0 0 171.240 2.087 10 30 AEEERN C=CCCCNC(=O)/C=C/C(C)C 388940292 1224329935 /nfs/dbraw/zinc/32/99/35/1224329935.db2.gz XEEMPAXMDJVWHI-BQYQJAHWSA-N 0 0 181.279 2.281 10 30 AEEERN N#C[C@H]1CCN(Cc2cccs2)C1 606264991 1224346922 /nfs/dbraw/zinc/34/69/22/1224346922.db2.gz AEALLIXKXKSKIC-SECBINFHSA-N 0 0 192.287 2.094 10 30 AEEERN N#C[C@H]1CCN(Cc2ccsc2)C1 606265057 1224347013 /nfs/dbraw/zinc/34/70/13/1224347013.db2.gz XGDZAXOQCKYQAM-SECBINFHSA-N 0 0 192.287 2.094 10 30 AEEERN N#C[C@@H]1CCN(Cc2cccs2)C1 606264992 1224347199 /nfs/dbraw/zinc/34/71/99/1224347199.db2.gz AEALLIXKXKSKIC-VIFPVBQESA-N 0 0 192.287 2.094 10 30 AEEERN C=C1CCN(c2cccc(F)n2)CC1 606265087 1224347669 /nfs/dbraw/zinc/34/76/69/1224347669.db2.gz CFDGATFXELJTIH-UHFFFAOYSA-N 0 0 192.237 2.377 10 30 AEEERN N#C[C@@H]1CCN(Cc2ccsc2)C1 606265058 1224348067 /nfs/dbraw/zinc/34/80/67/1224348067.db2.gz XGDZAXOQCKYQAM-VIFPVBQESA-N 0 0 192.287 2.094 10 30 AEEERN C#CCCCCCN(CC)OCC 686685031 1224349929 /nfs/dbraw/zinc/34/99/29/1224349929.db2.gz VQWUNJCTJKBQFU-UHFFFAOYSA-N 0 0 183.295 2.453 10 30 AEEERN C#CCCCCCSc1nc[nH]n1 686684651 1224350123 /nfs/dbraw/zinc/35/01/23/1224350123.db2.gz BEUFJVNIVPMJLB-UHFFFAOYSA-N 0 0 195.291 2.090 10 30 AEEERN Cc1ccnc(N[C@H]2C[C@@H]2C)c1C#N 135075222 525700796 /nfs/dbraw/zinc/70/07/96/525700796.db2.gz QWIRGLDXZZHHOJ-WPRPVWTQSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1ccnc(N[C@@H]2C[C@@H]2C)c1C#N 135075201 525702305 /nfs/dbraw/zinc/70/23/05/525702305.db2.gz QWIRGLDXZZHHOJ-WCBMZHEXSA-N 0 0 187.246 2.082 10 30 AEEERN C#C[C@@H](C)N(C)c1ccc(C#N)cc1 767439489 1224352741 /nfs/dbraw/zinc/35/27/41/1224352741.db2.gz HTFOSCFYNGUEJI-SNVBAGLBSA-N 0 0 184.242 2.016 10 30 AEEERN C#C[C@H](C)N(C)c1ccc(C#N)cc1 767439479 1224352795 /nfs/dbraw/zinc/35/27/95/1224352795.db2.gz HTFOSCFYNGUEJI-JTQLQIEISA-N 0 0 184.242 2.016 10 30 AEEERN CC(C)(C#N)OC(=O)[C@H]1CC12CCC2 779222982 1224353179 /nfs/dbraw/zinc/35/31/79/1224353179.db2.gz HMCPYWQZKKBKTO-MRVPVSSYSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)(C#N)OC(=O)[C@@H]1CC12CCC2 779222983 1224353373 /nfs/dbraw/zinc/35/33/73/1224353373.db2.gz HMCPYWQZKKBKTO-QMMMGPOBSA-N 0 0 193.246 2.022 10 30 AEEERN CC(C)(C#N)OC(=O)CCC1CCC1 779222903 1224353397 /nfs/dbraw/zinc/35/33/97/1224353397.db2.gz DSADJZOWEXNAMS-UHFFFAOYSA-N 0 0 195.262 2.412 10 30 AEEERN C#CCN(C)C(=O)c1ccc(C=C)cc1 792477469 1224354368 /nfs/dbraw/zinc/35/43/68/1224354368.db2.gz AXJWMKXYVSDFFQ-UHFFFAOYSA-N 0 0 199.253 2.035 10 30 AEEERN CC#CC(=O)N1CCC[C@H]1C(C)(C)C 801150907 1224355788 /nfs/dbraw/zinc/35/57/88/1224355788.db2.gz FYEQKTMVWWEEAH-JTQLQIEISA-N 0 0 193.290 2.047 10 30 AEEERN CC#CC(=O)N1CCC[C@@H]1C(C)(C)C 801150908 1224355845 /nfs/dbraw/zinc/35/58/45/1224355845.db2.gz FYEQKTMVWWEEAH-SNVBAGLBSA-N 0 0 193.290 2.047 10 30 AEEERN C#CCON=CCCCC(C)C 863113550 1224360972 /nfs/dbraw/zinc/36/09/72/1224360972.db2.gz XSAGFABJTQPBIO-UHFFFAOYSA-N 0 0 167.252 2.448 10 30 AEEERN CC(C)(C#N)C(=O)OCC1CCCC1 918506378 1224363720 /nfs/dbraw/zinc/36/37/20/1224363720.db2.gz CUMSRSYJSGPPPA-UHFFFAOYSA-N 0 0 195.262 2.270 10 30 AEEERN C=CCC(C)(C)c1nnc(C)o1 1118421841 1224365037 /nfs/dbraw/zinc/36/50/37/1224365037.db2.gz GRKIEUWGLPNODG-UHFFFAOYSA-N 0 0 166.224 2.232 10 30 AEEERN C#CCNc1ccc(CF)cc1 1163362442 1224376565 /nfs/dbraw/zinc/37/65/65/1224376565.db2.gz VTIMEAOZFDXLKZ-UHFFFAOYSA-N 0 0 163.195 2.201 10 30 AEEERN C#CCCOc1cnc(Cl)c(F)c1 1166549974 1224377318 /nfs/dbraw/zinc/37/73/18/1224377318.db2.gz QCHNCBIGHZRTDL-UHFFFAOYSA-N 0 0 199.612 2.276 10 30 AEEERN CCC[C@H](CC)OCCC#N 1205610686 1224391112 /nfs/dbraw/zinc/39/11/12/1224391112.db2.gz OPGGZQFNSNMMLK-VIFPVBQESA-N 0 0 155.241 2.495 10 30 AEEERN CCC[C@@H](CC)OCCC#N 1205610685 1224391388 /nfs/dbraw/zinc/39/13/88/1224391388.db2.gz OPGGZQFNSNMMLK-SECBINFHSA-N 0 0 155.241 2.495 10 30 AEEERN CCN(C(=O)[C@@H](C)CC#N)C(C)(C)C 1261779453 1224426994 /nfs/dbraw/zinc/42/69/94/1224426994.db2.gz NBNGYRPHRMISPK-VIFPVBQESA-N 0 0 196.294 2.183 10 30 AEEERN CC(C)CNN=C[C@H]1CCCOCC1 1261773281 1224427082 /nfs/dbraw/zinc/42/70/82/1224427082.db2.gz ZBGHOYHMLGYRNE-NSHDSACASA-N 0 0 198.310 2.035 10 30 AEEERN C=C(C)CN(C)C(=O)C1(CF)CCC1 1261781368 1224427101 /nfs/dbraw/zinc/42/71/01/1224427101.db2.gz SEILJRAORLJBPZ-UHFFFAOYSA-N 0 0 199.269 2.161 10 30 AEEERN CC(C)CNN=C[C@@H]1CCCOCC1 1261773280 1224427200 /nfs/dbraw/zinc/42/72/00/1224427200.db2.gz ZBGHOYHMLGYRNE-LLVKDONJSA-N 0 0 198.310 2.035 10 30 AEEERN CCN(C(=O)[C@H](C)CC#N)C(C)(C)C 1261779452 1224427256 /nfs/dbraw/zinc/42/72/56/1224427256.db2.gz NBNGYRPHRMISPK-SECBINFHSA-N 0 0 196.294 2.183 10 30 AEEERN C#CCCCNC(=O)C(=C)CC(C)C 1263764894 1224428866 /nfs/dbraw/zinc/42/88/66/1224428866.db2.gz WCOWQXXOUWKMBD-UHFFFAOYSA-N 0 0 193.290 2.118 10 30 AEEERN C#C[C@@H](NC(=O)/C=C\C)c1ccccc1 1299869339 1224431069 /nfs/dbraw/zinc/43/10/69/1224431069.db2.gz IRBZBJQEFXUCNT-CPWLGJMPSA-N 0 0 199.253 2.053 10 30 AEEERN C=C(CC(C)C)C(=O)NCCCC#N 1263774555 1224430258 /nfs/dbraw/zinc/43/02/58/1224430258.db2.gz BOHLWPAWGFXOQO-UHFFFAOYSA-N 0 0 194.278 2.009 10 30 AEEERN C#C[C@H](NC(=O)/C=C\C)c1ccccc1 1299869341 1224430638 /nfs/dbraw/zinc/43/06/38/1224430638.db2.gz IRBZBJQEFXUCNT-KJPDOOANSA-N 0 0 199.253 2.053 10 30 AEEERN C#C[C@@H](NC(=O)/C=C/C)c1ccccc1 1299869342 1224430865 /nfs/dbraw/zinc/43/08/65/1224430865.db2.gz IRBZBJQEFXUCNT-STWLFGJUSA-N 0 0 199.253 2.053 10 30 AEEERN C#C[C@H](NC(=O)/C=C/C)c1ccccc1 1299869340 1224430935 /nfs/dbraw/zinc/43/09/35/1224430935.db2.gz IRBZBJQEFXUCNT-DGDCUBRUSA-N 0 0 199.253 2.053 10 30 AEEERN C=CCN1CCCc2c(C#N)cccc21 1326807169 1224435703 /nfs/dbraw/zinc/43/57/03/1224435703.db2.gz ZWLJKYVLXDPOFE-UHFFFAOYSA-N 0 0 198.269 2.497 10 30 AEEERN Cc1ncc(C)c(SCCC#N)n1 1327710497 1224436430 /nfs/dbraw/zinc/43/64/30/1224436430.db2.gz GQTOLVAMHSHQPR-UHFFFAOYSA-N 0 0 193.275 2.099 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCC[C@@H](F)C1 1328020843 1224436992 /nfs/dbraw/zinc/43/69/92/1224436992.db2.gz NXHDPIPCZBMWRI-NXEZZACHSA-N 0 0 198.237 2.081 10 30 AEEERN C#CCCOC(=O)[C@@H]1CCC[C@H](F)C1 1328020847 1224437214 /nfs/dbraw/zinc/43/72/14/1224437214.db2.gz NXHDPIPCZBMWRI-ZJUUUORDSA-N 0 0 198.237 2.081 10 30 AEEERN C#CCCOC(=O)[C@H]1CCC[C@H](F)C1 1328020845 1224437321 /nfs/dbraw/zinc/43/73/21/1224437321.db2.gz NXHDPIPCZBMWRI-UWVGGRQHSA-N 0 0 198.237 2.081 10 30 AEEERN C#CCCOC(=O)[C@H]1CCC[C@@H](F)C1 1328020846 1224437433 /nfs/dbraw/zinc/43/74/33/1224437433.db2.gz NXHDPIPCZBMWRI-VHSXEESVSA-N 0 0 198.237 2.081 10 30 AEEERN Cc1cc(C=NOC(C)(C)C)on1 1328637093 1224440578 /nfs/dbraw/zinc/44/05/78/1224440578.db2.gz OGUDSJHJXSDGHE-UHFFFAOYSA-N 0 0 182.223 2.132 10 30 AEEERN C=C1CCC(C(=O)NC/C=C/C)CC1 1331935777 1224454249 /nfs/dbraw/zinc/45/42/49/1224454249.db2.gz CRTDQINGKAJHLP-ONEGZZNKSA-N 0 0 193.290 2.425 10 30 AEEERN C=C1CCC(C(=O)NC/C=C\C)CC1 1331935776 1224454591 /nfs/dbraw/zinc/45/45/91/1224454591.db2.gz CRTDQINGKAJHLP-ARJAWSKDSA-N 0 0 193.290 2.425 10 30 AEEERN C=CC[C@H](C)Nc1ccnc(CC)n1 1333377260 1224457092 /nfs/dbraw/zinc/45/70/92/1224457092.db2.gz WHEURIPYKFMOQH-VIFPVBQESA-N 0 0 191.278 2.416 10 30 AEEERN C=CC[C@@H](C)Nc1ccnc(CC)n1 1333377259 1224457451 /nfs/dbraw/zinc/45/74/51/1224457451.db2.gz WHEURIPYKFMOQH-SECBINFHSA-N 0 0 191.278 2.416 10 30 AEEERN C=C(CC)C(=O)N(C)CCC(C)C 1346266501 1224464636 /nfs/dbraw/zinc/46/46/36/1224464636.db2.gz BDFQYDJFXUNADB-UHFFFAOYSA-N 0 0 183.295 2.457 10 30 AEEERN C=C(CC(C)C)C(=O)NCCCF 1346437040 1224465466 /nfs/dbraw/zinc/46/54/66/1224465466.db2.gz SSZNFPROTVOYSP-UHFFFAOYSA-N 0 0 187.258 2.065 10 30 AEEERN C=C(CC)C(=O)N[C@@H]1CC=CCC1 1346465957 1224466637 /nfs/dbraw/zinc/46/66/37/1224466637.db2.gz CRYDBTQKRHCROS-SNVBAGLBSA-N 0 0 179.263 2.178 10 30 AEEERN C=C(CC)C(=O)N[C@H]1CC=CCC1 1346465956 1224466993 /nfs/dbraw/zinc/46/69/93/1224466993.db2.gz CRYDBTQKRHCROS-JTQLQIEISA-N 0 0 179.263 2.178 10 30 AEEERN C=C(CC)C(=O)N(C)c1nccs1 1348815710 1224468850 /nfs/dbraw/zinc/46/88/50/1224468850.db2.gz BQPQLIVKPLRDJI-UHFFFAOYSA-N 0 0 196.275 2.072 10 30 AEEERN CCC#C[C@H](C)Sc1n[nH]c(C)n1 1458902943 1224475089 /nfs/dbraw/zinc/47/50/89/1224475089.db2.gz RFHAPKXCRRULEI-ZETCQYMHSA-N 0 0 195.291 2.007 10 30 AEEERN C#CC(C)(C)NC(=O)C(=C)CC(C)C 1351205559 1224470036 /nfs/dbraw/zinc/47/00/36/1224470036.db2.gz LJOYXDQXFDYKOU-UHFFFAOYSA-N 0 0 193.290 2.117 10 30 AEEERN N#C[C@H]1C[C@H]1C(=O)OC1CCCCC1 1351104669 1224470052 /nfs/dbraw/zinc/47/00/52/1224470052.db2.gz PBJSCDNYMRDINW-PSASIEDQSA-N 0 0 193.246 2.022 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@H]1C1CC1 1351138454 1224470985 /nfs/dbraw/zinc/47/09/85/1224470985.db2.gz BGZQBKQATGCRPE-NSHDSACASA-N 0 0 193.290 2.354 10 30 AEEERN C=C(CC)C(=O)N1CCC[C@@H]1C1CC1 1351138453 1224471021 /nfs/dbraw/zinc/47/10/21/1224471021.db2.gz BGZQBKQATGCRPE-LLVKDONJSA-N 0 0 193.290 2.354 10 30 AEEERN CC(=O)CS[C@H](C#N)C1CCCC1 1458962322 1224474392 /nfs/dbraw/zinc/47/43/92/1224474392.db2.gz UYMGTCNUUYLPKR-SNVBAGLBSA-N 0 0 197.303 2.391 10 30 AEEERN CC(=O)CS[C@@H](C#N)C1CCCC1 1458962271 1224475400 /nfs/dbraw/zinc/47/54/00/1224475400.db2.gz UYMGTCNUUYLPKR-JTQLQIEISA-N 0 0 197.303 2.391 10 30 AEEERN CCC#C[C@@H](C)Sc1n[nH]c(C)n1 1458902908 1224475419 /nfs/dbraw/zinc/47/54/19/1224475419.db2.gz RFHAPKXCRRULEI-SSDOTTSWSA-N 0 0 195.291 2.007 10 30 AEEERN C#CCCOc1ccsc1[N+](=O)[O-] 1459085415 1224475845 /nfs/dbraw/zinc/47/58/45/1224475845.db2.gz KVKFZMBILMAOPQ-UHFFFAOYSA-N 0 0 197.215 2.058 10 30 AEEERN Cc1nc(CSCCC#N)oc1C 1459110340 1224476287 /nfs/dbraw/zinc/47/62/87/1224476287.db2.gz GMRFGHWMMKGUBH-UHFFFAOYSA-N 0 0 196.275 2.438 10 30 AEEERN C=C/C=C\CC(=O)NCC(=C)CC 1469003926 1224478833 /nfs/dbraw/zinc/47/88/33/1224478833.db2.gz DBPWCTGUFZKFIX-SREVYHEPSA-N 0 0 179.263 2.201 10 30 AEEERN C=C1CN(C(=O)N[C@@H](C)[C@@H](C)CC)C1 1468920528 1224478852 /nfs/dbraw/zinc/47/88/52/1224478852.db2.gz BQMKSPFISJTBND-UWVGGRQHSA-N 0 0 196.294 2.002 10 30 AEEERN C=C1CN(C(=O)N[C@H](C)[C@@H](C)CC)C1 1468920529 1224479143 /nfs/dbraw/zinc/47/91/43/1224479143.db2.gz BQMKSPFISJTBND-VHSXEESVSA-N 0 0 196.294 2.002 10 30 AEEERN C=C1CN(C(=O)N[C@@H](C)[C@H](C)CC)C1 1468920530 1224479174 /nfs/dbraw/zinc/47/91/74/1224479174.db2.gz BQMKSPFISJTBND-ZJUUUORDSA-N 0 0 196.294 2.002 10 30 AEEERN C=C/C=C/CC(=O)NCC(=C)CC 1469003927 1224479183 /nfs/dbraw/zinc/47/91/83/1224479183.db2.gz DBPWCTGUFZKFIX-VOTSOKGWSA-N 0 0 179.263 2.201 10 30 AEEERN C=C1CN(C(=O)N[C@H](C)[C@H](C)CC)C1 1468920527 1224479386 /nfs/dbraw/zinc/47/93/86/1224479386.db2.gz BQMKSPFISJTBND-NXEZZACHSA-N 0 0 196.294 2.002 10 30 AEEERN CCC#C[C@H](C)S[C@@H](C)C(C)=O 1472996880 1224479871 /nfs/dbraw/zinc/47/98/71/1224479871.db2.gz MVINAMXGTUBHEQ-WPRPVWTQSA-N 0 0 184.304 2.499 10 30 AEEERN CCC#C[C@@H](C)S[C@H](C)C(C)=O 1472996877 1224480003 /nfs/dbraw/zinc/48/00/03/1224480003.db2.gz MVINAMXGTUBHEQ-PSASIEDQSA-N 0 0 184.304 2.499 10 30 AEEERN CCC#C[C@H](C)S[C@H](C)C(C)=O 1472996879 1224480294 /nfs/dbraw/zinc/48/02/94/1224480294.db2.gz MVINAMXGTUBHEQ-WCBMZHEXSA-N 0 0 184.304 2.499 10 30 AEEERN CCC#C[C@@H](C)S[C@@H](C)C(C)=O 1472996878 1224480546 /nfs/dbraw/zinc/48/05/46/1224480546.db2.gz MVINAMXGTUBHEQ-SCZZXKLOSA-N 0 0 184.304 2.499 10 30 AEEERN C=C(C)Cn1cnc(CC)c1 1559466396 1224487057 /nfs/dbraw/zinc/48/70/57/1224487057.db2.gz ROSCEIKZOWCOCW-UHFFFAOYSA-N 0 0 150.225 2.022 10 30 AEEERN C=C(C)C[C@H](C)C(=O)N(C)CC 388401310 538431718 /nfs/dbraw/zinc/43/17/18/538431718.db2.gz OFCKPKZKLKWNPH-VIFPVBQESA-N 0 0 169.268 2.067 10 30 AEEERN C=C/C=C/CC(=O)N[C@H](C)CC=C 1586200607 1224496180 /nfs/dbraw/zinc/49/61/80/1224496180.db2.gz CNKJAGGUMZITCN-VQCYPWCPSA-N 0 0 179.263 2.200 10 30 AEEERN C=C/C=C/CC(=O)N[C@@H](C)CC=C 1586200604 1224496362 /nfs/dbraw/zinc/49/63/62/1224496362.db2.gz CNKJAGGUMZITCN-FGEFZZPRSA-N 0 0 179.263 2.200 10 30 AEEERN C=C/C=C\CC(=O)N[C@H](C)CC=C 1586200606 1224496529 /nfs/dbraw/zinc/49/65/29/1224496529.db2.gz CNKJAGGUMZITCN-JYESYGNLSA-N 0 0 179.263 2.200 10 30 AEEERN C=C/C=C\CC(=O)N[C@@H](C)CC=C 1586200605 1224496634 /nfs/dbraw/zinc/49/66/34/1224496634.db2.gz CNKJAGGUMZITCN-GFVADAIESA-N 0 0 179.263 2.200 10 30 AEEERN N#CCSc1ncc(Cl)s1 1614759819 1224501723 /nfs/dbraw/zinc/50/17/23/1224501723.db2.gz LYQSUPCMFJSZKM-UHFFFAOYSA-N 0 0 190.680 2.412 10 30 AEEERN C=CCCCn1cnc(CC)c1 1614959552 1224501838 /nfs/dbraw/zinc/50/18/38/1224501838.db2.gz DJHLMKKRFZHHGB-UHFFFAOYSA-N 0 0 164.252 2.412 10 30 AEEERN C=CCOc1ccc(C=O)c(F)c1F 1614945023 1224502316 /nfs/dbraw/zinc/50/23/16/1224502316.db2.gz VIRXVOVIXPBFQF-UHFFFAOYSA-N 0 0 198.168 2.342 10 30 AEEERN C=CCCCC(=O)N1CC2(CCC2)C1 1631396276 1224505103 /nfs/dbraw/zinc/50/51/03/1224505103.db2.gz BWXMSKJWQPWUDQ-UHFFFAOYSA-N 0 0 193.290 2.355 10 30 AEEERN C=C1CN(C(=O)NCC[C@@H](C)CC)C1 1636765688 1224506324 /nfs/dbraw/zinc/50/63/24/1224506324.db2.gz HEKOBDFABISSHW-VIFPVBQESA-N 0 0 196.294 2.004 10 30 AEEERN C=C1CN(C(=O)NCC[C@H](C)CC)C1 1636765687 1224506418 /nfs/dbraw/zinc/50/64/18/1224506418.db2.gz HEKOBDFABISSHW-SECBINFHSA-N 0 0 196.294 2.004 10 30 AEEERN Cc1cc(N[C@H]2C=CCC2)ncc1C#N 1640133270 1224507695 /nfs/dbraw/zinc/50/76/95/1224507695.db2.gz CGWSCPBHPOHIHL-NSHDSACASA-N 0 0 199.257 2.392 10 30 AEEERN Cc1cc(N[C@@H]2C=CCC2)ncc1C#N 1640133269 1224507828 /nfs/dbraw/zinc/50/78/28/1224507828.db2.gz CGWSCPBHPOHIHL-LLVKDONJSA-N 0 0 199.257 2.392 10 30 AEEERN C#C[C@@](C)(CC)NC(=O)C/C=C/C=C 1640971189 1224509636 /nfs/dbraw/zinc/50/96/36/1224509636.db2.gz FIAFUVVMDLLKRW-BCPZQOPPSA-N 0 0 191.274 2.037 10 30 AEEERN C#C[C@](C)(CC)NC(=O)C/C=C/C=C 1640971190 1224509709 /nfs/dbraw/zinc/50/97/09/1224509709.db2.gz FIAFUVVMDLLKRW-IDVQTMNDSA-N 0 0 191.274 2.037 10 30 AEEERN C#C[C@](C)(CC)NC(=O)C/C=C\C=C 1640971191 1224510117 /nfs/dbraw/zinc/51/01/17/1224510117.db2.gz FIAFUVVMDLLKRW-JLVNDZCYSA-N 0 0 191.274 2.037 10 30 AEEERN C#C[C@@](C)(CC)NC(=O)C/C=C\C=C 1640971192 1224510298 /nfs/dbraw/zinc/51/02/98/1224510298.db2.gz FIAFUVVMDLLKRW-LAUAKBEESA-N 0 0 191.274 2.037 10 30 AEEERN C=C(Cl)Cn1cnc(CC)c1 1644228529 1224511398 /nfs/dbraw/zinc/51/13/98/1224511398.db2.gz XWTYQMKZEYDSPC-UHFFFAOYSA-N 0 0 170.643 2.198 10 30 AEEERN CC#CC(=O)Nc1c[nH]c2ccccc12 1645451429 1224514145 /nfs/dbraw/zinc/51/41/45/1224514145.db2.gz WOUPUZZGXMKIPL-UHFFFAOYSA-N 0 0 198.225 2.130 10 30 AEEERN C#C[C@H](CC)Nc1cc(C)c(C#N)cn1 1655447204 1224514817 /nfs/dbraw/zinc/51/48/17/1224514817.db2.gz HHKIVEPKRCIENX-LLVKDONJSA-N 0 0 199.257 2.085 10 30 AEEERN C=C=CCNc1cc(F)ccc1C#N 1655515728 1224514806 /nfs/dbraw/zinc/51/48/06/1224514806.db2.gz HBPIEMIWDPSNFP-UHFFFAOYSA-N 0 0 188.205 2.450 10 30 AEEERN C#C[C@@H](CC)Nc1cc(C)c(C#N)cn1 1655447206 1224515107 /nfs/dbraw/zinc/51/51/07/1224515107.db2.gz HHKIVEPKRCIENX-NSHDSACASA-N 0 0 199.257 2.085 10 30 AEEERN Cc1cc(C#N)cc(NCC(C)C)n1 157562712 526185164 /nfs/dbraw/zinc/18/51/64/526185164.db2.gz CDRYQXMKVITUCX-UHFFFAOYSA-N 0 0 189.262 2.330 10 30 AEEERN Cc1cc(C#N)cc(N[C@H]2C[C@H]2C)n1 157577359 526186607 /nfs/dbraw/zinc/18/66/07/526186607.db2.gz KDCSLTKJHFNDPW-XCBNKYQSSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(C#N)cc(N[C@H]2C[C@@H]2C)n1 157577074 526187209 /nfs/dbraw/zinc/18/72/09/526187209.db2.gz KDCSLTKJHFNDPW-XVKPBYJWSA-N 0 0 187.246 2.082 10 30 AEEERN Cc1cc(C#N)cc(N[C@@H]2C[C@H]2C)n1 157577220 526187989 /nfs/dbraw/zinc/18/79/89/526187989.db2.gz KDCSLTKJHFNDPW-GMSGAONNSA-N 0 0 187.246 2.082 10 30 AEEERN [N-]=[N+]=Nc1ncc(Br)cn1 87667282 526390674 /nfs/dbraw/zinc/39/06/74/526390674.db2.gz LWNBYVTWYQENKY-UHFFFAOYSA-N 0 0 199.999 2.181 10 30 in-vitro AEEERN N#CCCc1c(F)cccc1F 84931304 526465012 /nfs/dbraw/zinc/46/50/12/526465012.db2.gz WICBOHZNLOOCER-UHFFFAOYSA-N 0 0 167.158 2.421 10 30 AEEERN N#C[C@@H]1CC[C@H](C#N)N1c1ccccc1 75599952 526513737 /nfs/dbraw/zinc/51/37/37/526513737.db2.gz SJUHSSIKDXXXDD-TXEJJXNPSA-N 0 0 197.241 2.071 10 30 AEEERN Cc1nsc(N[C@@H]2C[C@@H]2C)c1C#N 86254682 526716054 /nfs/dbraw/zinc/71/60/54/526716054.db2.gz RGPWBJBFXFORAC-YLWLKBPMSA-N 0 0 193.275 2.144 10 30 AEEERN N#Cc1ncccc1OC1CCCC1 130099047 526792925 /nfs/dbraw/zinc/79/29/25/526792925.db2.gz GLVWDHIKLMREGD-UHFFFAOYSA-N 0 0 188.230 2.275 10 30 AEEERN O=C1C=C2CN(c3ccccc3)C[C@H]2C1 100278525 526960468 /nfs/dbraw/zinc/96/04/68/526960468.db2.gz ZNRPUJVOWSZPRQ-LLVKDONJSA-N 0 0 199.253 2.022 10 30 AEEERN O=C1C=C2CCc3ccccc3N2CC1 22616 526960534 /nfs/dbraw/zinc/96/05/34/526960534.db2.gz OPJKPSOLCGGXEW-UHFFFAOYSA-N 0 0 199.253 2.296 10 30 in-vivo AEEERN OCCCCCCCCC[C@@H]1CO1 104835704 527534573 /nfs/dbraw/zinc/53/45/73/527534573.db2.gz DCCVVEQAXAKPJO-LLVKDONJSA-N 0 0 186.295 2.498 10 30 AEEERN OCCCCCCCCC[C@H]1CO1 104835701 527535137 /nfs/dbraw/zinc/53/51/37/527535137.db2.gz DCCVVEQAXAKPJO-NSHDSACASA-N 0 0 186.295 2.498 10 30 AEEERN O=CC=C(O)C1CCCCC1 101629100 527652860 /nfs/dbraw/zinc/65/28/60/527652860.db2.gz MEDOVTJJBRSVKD-SREVYHEPSA-N 0 0 154.209 2.208 10 30 AEEERN